A0A5K4FE40_SCHMA Loading...

Major facilitator superfamily domain-containing protein 12

AlphaFold DB , UniProt , Accession A0A5K4FE40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 592 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
1M49.1Very low88.3Confident246 Ų24672.7 Ų72.7100%1.21237%0.366SS*.  0122.90-75.5-176175.800107.6
2G76.8Confident89Confident49 Ų4966.7 Ų66.751%0.50534%0.335SS..PPolyproline II helixtrans-68.2166.818000000113
3L86.6Confident89.6Confident26 Ų2663.4 Ų63.414%0.13632%0.319CS..PPolyproline II helixtrans-66.4140.4179.3-71.680.3000110.3L7 R8 L213 E219 L223L3-L7 HydrophobicContact CB-CD2 4.24Å; L3-L7 HydrophobicContact CD2-CD2 3.67Å; L3-L7 HydrophobicContact CD2-CG 4.06Å; L3-L7 HydrophobicContact CG-CD2 4Å; L3-R8 HydrophobicContact CB-CG 3.92Å; L3-R8 VanDerWaalsContact O-CZ 3.31Å; L3-R8 PolarHBondContact O-NE 3.39Å; L3-L213 WeakPolarHBondContact CD1-O 3.24Å; L3-L213 HydrophobicContact CD2-CB 4.04Å; L3-E219 HydrophobicContact CD1-CB 4.21Å; L3-E219 HydrophobicContact CD1-CG 4.1Å; L3-E219 WeakPolarHBondContact CD1-OE2 3.49Å; L3-L223 HydrophobicContact CD2-CD1 4.18Å; L3-L223 HydrophobicContact CD2-CD2 4.48Å
4T92.9Very high90.1Very high88 Ų8858.9 Ų58.954%0.5430%0.297SS..PPolyproline II helixtrans-63.6149.8173.666.30000111.1R6 L7 R8T4-R6 PolarHBondContact O-N 3.12Å; T4-L7 PolarHBondContact O-N 3.32Å; T4-L7 PolarHBondContact OG1-N 3.21Å; T4-R8 PolarHBondContact O-N 3.38Å
5W93.3Very high90.6Very high127 Ų12755.3 Ų55.348%0.48128%0.279SS..Hα-helixtrans-60.4-34.2177.7-164-126.3000112.9L7 R8 L9 L222 L226W5-L7 VanDerWaalsContact C-N 3.31Å; W5-L7 PolarHBondContact O-N 3.36Å; W5-R8 HydrophobicContact CE3-CB 3.92Å; W5-R8 HydrophobicContact CE3-CG 4.33Å; W5-R8 HydrophobicContact CZ3-CB 4.11Å; W5-R8 PolarHBondContact O-N 3.09Å; W5-L9 HydrophobicContact CD2-CG 4.26Å; W5-L9 HydrophobicContact CG-CD1 4.35Å; W5-L9 HydrophobicContact CG-CG 4.42Å; W5-L9 HydrophobicContact CZ2-CD2 3.9Å; W5-L9 HydrophobicContact CZ2-CG 4.22Å; W5-L9 WeakPolarHBondContact O-CB 3.06Å; W5-L9 WeakPolarHBondContact O-CG 3.44Å; W5-L9 PolarHBondContact O-N 2.8Å; W5-L222 HydrophobicContact CZ3-CD1 4.49Å; W5-L222 HydrophobicContact CZ3-CD2 4.3Å; W5-L226 HydrophobicContact CH2-CD1 3.57Å; W5-L226 HydrophobicContact CH2-CD2 3.69Å; W5-L226 HydrophobicContact CH2-CG 4.22Å; W5-L226 HydrophobicContact CZ2-CD2 4.26Å; W5-L226 HydrophobicContact CZ3-CD1 3.69Å
6R94.1Very high91Very high130 Ų13052.4 Ų52.449%0.49126%0.264SS..Hα-helixtrans-52.4-50170.5178.1-167162.7101.114.7111.3T4 S10 R347T4-R6 PolarHBondContact O-N 3.12Å; R6-S10 VanDerWaalsContact O-CB 3.26Å; R6-S10 WeakPolarHBondContact O-CB 3.37Å; R6-S10 PolarHBondContact O-N 3.31Å; R6-S10 PolarHBondContact O-OG 3.01Å; R6-R347 VanDerWaalsContact NH2-NH2 3.18Å
7L94.5Very high91.4Very high11 Ų1149.3 Ų49.36%0.05825%0.249CC..Hα-helixtrans-68.9-43.4-177.9179.959.4000111.4L3 T4 W5 L9 S10 Y11 L213 V346 D350L3-L7 HydrophobicContact CB-CD2 4.24Å; L3-L7 HydrophobicContact CD2-CD2 3.67Å; L3-L7 HydrophobicContact CD2-CG 4.06Å; L3-L7 HydrophobicContact CG-CD2 4Å; T4-L7 PolarHBondContact O-N 3.32Å; T4-L7 PolarHBondContact OG1-N 3.21Å; W5-L7 VanDerWaalsContact C-N 3.31Å; W5-L7 PolarHBondContact O-N 3.36Å; L7-L9 PolarHBondContact O-N 3.27Å; L7-S10 PolarHBondContact O-N 2.88Å; L7-Y11 WeakPolarHBondContact O-CB 3.49Å; L7-Y11 PolarHBondContact O-N 2.9Å; L7-L213 HydrophobicContact CD1-CD2 4.4Å; L7-V346 HydrophobicContact CD1-CB 4.3Å; L7-V346 HydrophobicContact CD1-CG1 4.17Å; L7-V346 HydrophobicContact CD1-CG2 4.05Å; L7-D350 HydrophobicContact CD1-CB 3.86Å; L7-D350 HydrophobicContact CD2-CB 3.75Å; L7-D350 HydrophobicContact CG-CB 4.47Å
8R95.7Very high91.7Very high47 Ų4746.6 Ų46.618%0.17724%0.235CC..Hα-helixtrans-58.4-48.3177.5-69.3167.4174.51706.8111.9L3 T4 W5 Y11 A12 E219 L222 L223 L226L3-R8 HydrophobicContact CB-CG 3.92Å; L3-R8 VanDerWaalsContact O-CZ 3.31Å; L3-R8 PolarHBondContact O-NE 3.39Å; T4-R8 PolarHBondContact O-N 3.38Å; W5-R8 HydrophobicContact CE3-CB 3.92Å; W5-R8 HydrophobicContact CE3-CG 4.33Å; W5-R8 HydrophobicContact CZ3-CB 4.11Å; W5-R8 PolarHBondContact O-N 3.09Å; R8-Y11 PolarHBondContact O-N 3.44Å; R8-A12 WeakPolarHBondContact O-CB 3.07Å; R8-A12 PolarHBondContact O-N 3.18Å; R8-E219 IonicContact CZ-OE1 2.97Å; R8-E219 IonicContact CZ-OE2 3.51Å; R8-E219 VanDerWaalsContact CZ-OE2 3.26Å; R8-E219 IonicContact NE-OE1 2.77Å; R8-E219 IonicContact NE-OE2 3.96Å; R8-E219 PolarHBondContact NE-OE2 3.28Å; R8-E219 IonicContact NH2-OE1 2.78Å; R8-E219 PolarHBondContact NH2-OE1 3.21Å; R8-E219 IonicContact NH2-OE2 3.08Å; R8-E219 PolarHBondContact NH2-OE2 3.41Å; R8-L222 VanDerWaalsContact CZ-CD2 3.43Å; R8-L223 HydrophobicContact CB-CD2 4.07Å; R8-L223 HydrophobicContact CG-CD2 3.87Å; R8-L226 HydrophobicContact CB-CD1 3.99Å
9L96.4Very high91.9Very high61 Ų6144.5 Ų44.532%0.31923%0.225SC..Hα-helixtrans-66.8-43.5176.3-71.4178.8000112.2W5 L7 Y11 A12 I13 F230W5-L9 HydrophobicContact CD2-CG 4.26Å; W5-L9 HydrophobicContact CG-CD1 4.35Å; W5-L9 HydrophobicContact CG-CG 4.42Å; W5-L9 HydrophobicContact CZ2-CD2 3.9Å; W5-L9 HydrophobicContact CZ2-CG 4.22Å; W5-L9 WeakPolarHBondContact O-CB 3.06Å; W5-L9 WeakPolarHBondContact O-CG 3.44Å; W5-L9 PolarHBondContact O-N 2.8Å; L7-L9 PolarHBondContact O-N 3.27Å; L9-Y11 VanDerWaalsContact C-N 3.27Å; L9-Y11 PolarHBondContact O-N 3.16Å; L9-A12 PolarHBondContact O-N 3.14Å; L9-I13 WeakPolarHBondContact O-CG1 3.38Å; L9-I13 PolarHBondContact O-N 3.07Å; L9-I13 VanDerWaalsContact O-N 3.09Å; L9-F230 HydrophobicContact CD2-CE2 4.31Å
10S96.1Very high92Very high15 Ų1542.4 Ų42.411%0.10521%0.214CC..Hα-helixtrans-59.4-40.4177.9-61.20000111.8R6 L7 I13 F342 G345R6-S10 VanDerWaalsContact O-CB 3.26Å; R6-S10 WeakPolarHBondContact O-CB 3.37Å; R6-S10 PolarHBondContact O-N 3.31Å; R6-S10 PolarHBondContact O-OG 3.01Å; L7-S10 PolarHBondContact O-N 2.88Å; S10-I13 VanDerWaalsContact O-CG1 3.27Å; S10-I13 WeakPolarHBondContact O-CG1 3.28Å; S10-F342 WeakPolarHBondContact O-CA 3.37Å; S10-F342 WeakPolarHBondContact O-CB 3.49Å; S10-F342 VanDerWaalsContact O-CD2 3.3Å; S10-F342 WeakPolarHBondContact O-CD2 3.24Å; S10-G345 WeakPolarHBondContact OG-CA 3.26Å
11Y96.2Very high92.2Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-63.4-53173.1168.6-96.7000110.8L7 R8 L9 I13 G14 H206 L209 I210 L213 L223 R227 F342L7-Y11 WeakPolarHBondContact O-CB 3.49Å; L7-Y11 PolarHBondContact O-N 2.9Å; R8-Y11 PolarHBondContact O-N 3.44Å; L9-Y11 VanDerWaalsContact C-N 3.27Å; L9-Y11 PolarHBondContact O-N 3.16Å; Y11-I13 VanDerWaalsContact C-N 3.29Å; Y11-I13 PolarHBondContact O-N 3.11Å; Y11-G14 PolarHBondContact O-N 2.64Å; Y11-H206 AromaticContact CD2-NE2 3.85Å; Y11-H206 AromaticContact CE1-CE1 3.76Å; Y11-H206 AromaticContact CE2-CD2 3.95Å; Y11-H206 AromaticContact CE2-CE1 3.5Å; Y11-H206 AromaticContact CE2-ND1 3.92Å; Y11-H206 AromaticContact CE2-NE2 3.51Å; Y11-H206 VanDerWaalsContact CE2-O 3.29Å; Y11-H206 WeakPolarHBondContact CE2-O 3.34Å; Y11-H206 AromaticContact CZ-CE1 3.23Å; Y11-H206 AromaticContact CZ-ND1 3.67Å; Y11-H206 AromaticContact CZ-NE2 3.74Å; Y11-H206 PolarHBondContact O-CE1 3.21Å; Y11-H206 PolarHBondContact O-NE2 3.04Å; Y11-H206 PolarHBondContact OH-CE1 3.45Å; Y11-H206 PolarHBondContact OH-ND1 3.28Å; Y11-H206 VanDerWaalsContact OH-ND1 3.15Å; Y11-H206 PolarHBondContact OH-O 3.29Å; Y11-L209 HydrophobicContact CD2-CB 4.46Å; Y11-L209 HydrophobicContact CE2-CB 4.01Å; Y11-I210 HydrophobicContact CE1-CG1 4Å; Y11-I210 HydrophobicContact CE2-CG1 4.18Å; Y11-I210 VanDerWaalsContact CZ-CG1 3.44Å; Y11-I210 VanDerWaalsContact OH-CD1 3.29Å; Y11-I210 WeakPolarHBondContact OH-CD1 3.38Å; Y11-I210 WeakPolarHBondContact OH-CG1 3.43Å; Y11-L213 HydrophobicContact CD2-CD1 3.63Å; Y11-L213 HydrophobicContact CE2-CD1 4.4Å; Y11-L213 HydrophobicContact CG-CD1 4.09Å; Y11-L223 HydrophobicContact CD1-CB 4.05Å; Y11-L223 HydrophobicContact CD1-CD2 3.73Å; Y11-L223 HydrophobicContact CD1-CG 4.33Å; Y11-L223 HydrophobicContact CE1-CB 3.92Å; Y11-L223 HydrophobicContact CE1-CD2 4.46Å; Y11-L223 HydrophobicContact CG-CD2 4.29Å; Y11-R227 HydrophobicContact CE1-CB 4.49Å; Y11-F342 HydrophobicContact CD2-CE2 4.48Å
12A96.6Very high94.1Very high0 Ų029.2 Ų29.20%015%0.151CC..Hα-helixtrans-59.3-37.5-172.100000113.3R8 L9 G14 L226 F230R8-A12 WeakPolarHBondContact O-CB 3.07Å; R8-A12 PolarHBondContact O-N 3.18Å; L9-A12 PolarHBondContact O-N 3.14Å; A12-G14 VanDerWaalsContact C-N 3.25Å; A12-G14 PolarHBondContact O-N 3.23Å; A12-L226 HydrophobicContact CB-CB 3.65Å; A12-F230 HydrophobicContact CB-CD2 3.67Å; A12-F230 HydrophobicContact CB-CE2 3.86Å
13I96.8Very high94.6Very high24 Ų2427 Ų2712%0.12313%0.127CC..G310 helixtrans-72.7-13.3177.565.1178.6000114.1L9 S10 Y11 H15 V16 F230 L341 F342L9-I13 WeakPolarHBondContact O-CG1 3.38Å; L9-I13 PolarHBondContact O-N 3.07Å; L9-I13 VanDerWaalsContact O-N 3.09Å; S10-I13 VanDerWaalsContact O-CG1 3.27Å; S10-I13 WeakPolarHBondContact O-CG1 3.28Å; Y11-I13 VanDerWaalsContact C-N 3.29Å; Y11-I13 PolarHBondContact O-N 3.11Å; I13-H15 PolarHBondContact O-N 3.22Å; I13-V16 HydrophobicContact CB-CG2 4.36Å; I13-V16 WeakPolarHBondContact O-CB 3.17Å; I13-V16 WeakPolarHBondContact O-CG2 3.16Å; I13-V16 PolarHBondContact O-N 3.31Å; I13-V16 VanDerWaalsContact O-N 3.15Å; I13-F230 HydrophobicContact CG2-CD1 4.04Å; I13-F230 HydrophobicContact CG2-CD2 4.21Å; I13-F230 HydrophobicContact CG2-CE1 3.6Å; I13-F230 HydrophobicContact CG2-CE2 3.79Å; I13-F230 HydrophobicContact CG2-CG 4.34Å; I13-F230 HydrophobicContact CG2-CZ 3.46Å; I13-F230 VanDerWaalsContact CG2-CZ 3.46Å; I13-L341 HydrophobicContact CD1-CB 3.55Å; I13-L341 HydrophobicContact CD1-CD1 4.26Å; I13-F342 HydrophobicContact CG1-CB 4.42Å
14G96.5Very high94.7Very high1 Ų125.8 Ų25.81%0.0112%0.121CC..G310 helixtrans-62.8-23.7-17600000114.5Y11 A12 H155 F342Y11-G14 PolarHBondContact O-N 2.64Å; A12-G14 VanDerWaalsContact C-N 3.25Å; A12-G14 PolarHBondContact O-N 3.23Å; G14-H155 PolarHBondContact O-CE1 2.97Å; G14-H155 PolarHBondContact O-NE2 3.2Å; G14-F342 VanDerWaalsContact CA-CB 3.48Å
15H96.9Very high94.5Very high5 Ų521.9 Ų21.92%0.02310%0.096CC..G310 helixtrans-93.6-6.6179.5-157.357.4000114I13 L17 N18 D19 R227I13-H15 PolarHBondContact O-N 3.22Å; H15-L17 VanDerWaalsContact C-N 3.28Å; H15-L17 PolarHBondContact O-N 2.88Å; H15-N18 WeakPolarHBondContact O-CB 3.46Å; H15-N18 PolarHBondContact O-N 3.31Å; H15-D19 IonicContact CD2-OD1 3.12Å; H15-D19 PolarHBondContact CD2-OD1 3.49Å; H15-D19 IonicContact CD2-OD2 3.14Å; H15-D19 PolarHBondContact CD2-OD2 3.44Å; H15-D19 IonicContact NE2-OD1 3.18Å; H15-D19 PolarHBondContact O-N 2.81Å; H15-R227 HydrophobicContact CB-CG 4.25Å; H15-R227 PolarHBondContact CD2-NH1 3.42Å; H15-R227 VanDerWaalsContact CD2-NH1 3.26Å
16V97.8Very high93.8Very high8 Ų821.7 Ų21.75%0.04810%0.099CC..Hα-helixtrans-58.7-37.2-174168.10000112.4I13 N18 D19 L20 F230 T338I13-V16 HydrophobicContact CB-CG2 4.36Å; I13-V16 WeakPolarHBondContact O-CB 3.17Å; I13-V16 WeakPolarHBondContact O-CG2 3.16Å; I13-V16 PolarHBondContact O-N 3.31Å; I13-V16 VanDerWaalsContact O-N 3.15Å; V16-N18 VanDerWaalsContact C-N 3.35Å; V16-N18 PolarHBondContact O-N 3.35Å; V16-D19 PolarHBondContact O-N 3.06Å; V16-L20 HydrophobicContact CG1-CD1 3.73Å; V16-L20 HydrophobicContact CG1-CG 4.04Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.36Å; V16-L20 PolarHBondContact O-N 2.96Å; V16-F230 HydrophobicContact CG2-CB 3.78Å; V16-F230 HydrophobicContact CG2-CD1 3.92Å; V16-F230 HydrophobicContact CG2-CG 4.08Å; V16-T338 HydrophobicContact CB-CG2 4.28Å; V16-T338 HydrophobicContact CG1-CG2 3.99Å
17L97.7Very high93Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-55.5-49.7174.3175.162.9000111.6H15 C21 I162 I163 I332 M339H15-L17 VanDerWaalsContact C-N 3.28Å; H15-L17 PolarHBondContact O-N 2.88Å; L17-C21 PolarHBondContact O-N 3.28Å; L17-C21 VanDerWaalsContact O-N 3.16Å; L17-C21 PolarHBondContact O-SG 3.04Å; L17-C21 VanDerWaalsContact O-SG 3.36Å; L17-I162 HydrophobicContact CD1-CG2 4.23Å; L17-I162 HydrophobicContact CD2-CB 4.49Å; L17-I162 HydrophobicContact CD2-CG2 4.33Å; L17-I162 HydrophobicContact CG-CG2 4.16Å; L17-I163 HydrophobicContact CD1-CG1 4.44Å; L17-I163 HydrophobicContact CD2-CD1 4.27Å; L17-I163 HydrophobicContact CD2-CG1 4.07Å; L17-I332 HydrophobicContact CD1-CD1 3.82Å; L17-M339 HydrophobicContact CD2-CB 4.46Å
18N96.3Very high92.4Very high0 Ų018.7 Ų18.70%09%0.093CC..Hα-helixtrans-63.2-44.7175.9-86.439.8000111.2H15 V16 L20 C21 A22 I162 W199 V202H15-N18 WeakPolarHBondContact O-CB 3.46Å; H15-N18 PolarHBondContact O-N 3.31Å; V16-N18 VanDerWaalsContact C-N 3.35Å; V16-N18 PolarHBondContact O-N 3.35Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-L20 PolarHBondContact O-N 2.74Å; N18-C21 CarbonylContact O-C 3.17Å; N18-C21 PolarHBondContact O-N 3.45Å; N18-A22 VanDerWaalsContact O-CB 3.31Å; N18-A22 WeakPolarHBondContact O-CB 3.34Å; N18-A22 PolarHBondContact O-N 2.98Å; N18-I162 WeakPolarHBondContact OD1-CD1 3.32Å; N18-W199 HydrophobicContact CB-CE3 4.47Å; N18-W199 PolarHBondContact ND2-O 2.7Å; N18-W199 WeakPolarHBondContact O-CZ3 3.43Å; N18-V202 HydrophobicContact CB-CG1 4.33Å; N18-V202 VanDerWaalsContact CG-CG1 3.47Å; N18-V202 VanDerWaalsContact OD1-CB 3.24Å; N18-V202 WeakPolarHBondContact OD1-CB 3.18Å; N18-V202 WeakPolarHBondContact OD1-CG1 3.46Å
19D95Very high91.8Very high8 Ų816.5 Ų16.54%0.0439%0.085CC..Hα-helixtrans-64.5-36.3-176.5-71-31.4000112.9H15 V16 A22 S23 T231H15-D19 IonicContact CD2-OD1 3.12Å; H15-D19 PolarHBondContact CD2-OD1 3.49Å; H15-D19 IonicContact CD2-OD2 3.14Å; H15-D19 PolarHBondContact CD2-OD2 3.44Å; H15-D19 IonicContact NE2-OD1 3.18Å; H15-D19 PolarHBondContact O-N 2.81Å; V16-D19 PolarHBondContact O-N 3.06Å; D19-A22 VanDerWaalsContact O-CB 3.25Å; D19-A22 WeakPolarHBondContact O-CB 3.41Å; D19-A22 PolarHBondContact O-N 2.69Å; D19-S23 PolarHBondContact O-N 3.26Å; D19-S23 VanDerWaalsContact O-N 3.13Å; D19-T231 HydrophobicContact CB-CG2 4.38Å; D19-T231 VanDerWaalsContact CG-OG1 3.24Å; D19-T231 WeakPolarHBondContact OD1-CG2 3.37Å; D19-T231 PolarHBondContact OD1-OG1 2.95Å; D19-T231 WeakPolarHBondContact OD2-CA 3.1Å; D19-T231 WeakPolarHBondContact OD2-CB 3.45Å; D19-T231 PolarHBondContact OD2-N 3.29Å; D19-T231 PolarHBondContact OD2-OG1 3.2Å
20L95.4Very high91Very high1 Ų117.3 Ų17.31%0.0059%0.089CC..Hα-helixtrans-68.3-46.5173.7-68169.3000111.2V16 N18 A22 S23 V24 L237 V238 I331 V334V16-L20 HydrophobicContact CG1-CD1 3.73Å; V16-L20 HydrophobicContact CG1-CG 4.04Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 VanDerWaalsContact O-CG 3.28Å; V16-L20 WeakPolarHBondContact O-CG 3.36Å; V16-L20 PolarHBondContact O-N 2.96Å; N18-L20 VanDerWaalsContact C-N 3.34Å; N18-L20 PolarHBondContact O-N 2.74Å; L20-A22 PolarHBondContact O-N 2.95Å; L20-S23 PolarHBondContact O-N 2.9Å; L20-V24 PolarHBondContact O-N 3.09Å; L20-L237 HydrophobicContact CD2-CB 4.38Å; L20-L237 HydrophobicContact CD2-CD2 3.87Å; L20-L237 HydrophobicContact CD2-CG 4.47Å; L20-V238 HydrophobicContact CD2-CG2 3.84Å; L20-I331 HydrophobicContact CB-CB 4.4Å; L20-I331 HydrophobicContact CB-CG1 4.26Å; L20-I331 HydrophobicContact CB-CG2 3.55Å; L20-I331 HydrophobicContact CD1-CG2 4.48Å; L20-V334 HydrophobicContact CD1-CB 4.17Å; L20-V334 HydrophobicContact CD1-CG1 3.95Å
21C94.8Very high90.1Very high0 Ų018.7 Ų18.70%010%0.096CC..Hα-helixtrans-60.1-35.4173.3-70.70000111.4L17 N18 W25 F166 F195 W199L17-C21 PolarHBondContact O-N 3.28Å; L17-C21 VanDerWaalsContact O-N 3.16Å; L17-C21 PolarHBondContact O-SG 3.04Å; L17-C21 VanDerWaalsContact O-SG 3.36Å; N18-C21 CarbonylContact O-C 3.17Å; N18-C21 PolarHBondContact O-N 3.45Å; C21-W25 WeakPolarHBondContact O-CB 3.24Å; C21-W25 PolarHBondContact O-N 3.33Å; C21-F166 HydrophobicContact CB-CD2 3.96Å; C21-F166 HydrophobicContact CB-CE2 3.64Å; C21-F166 HydrophobicContact CB-CZ 3.98Å; C21-F195 HydrophobicContact CB-CE2 3.82Å; C21-F195 HydrophobicContact CB-CZ 3.9Å; C21-W199 HydrophobicContact CB-CZ3 4.29Å
22A90.3Very high89.6Confident12 Ų1218.7 Ų18.710%0.09910%0.096CC..Hα-helixtrans-59.3-53.2178.400000111.9N18 D19 L20 V24 W25 F26 W199N18-A22 VanDerWaalsContact O-CB 3.31Å; N18-A22 WeakPolarHBondContact O-CB 3.34Å; N18-A22 PolarHBondContact O-N 2.98Å; D19-A22 VanDerWaalsContact O-CB 3.25Å; D19-A22 WeakPolarHBondContact O-CB 3.41Å; D19-A22 PolarHBondContact O-N 2.69Å; L20-A22 PolarHBondContact O-N 2.95Å; A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.3Å; A22-W25 PolarHBondContact O-N 2.68Å; A22-F26 HydrophobicContact CB-CD2 4.4Å; A22-F26 VanDerWaalsContact O-CD2 3.24Å; A22-F26 WeakPolarHBondContact O-CD2 3.22Å; A22-F26 PolarHBondContact O-N 2.98Å; A22-W199 HydrophobicContact CB-CH2 3.05Å; A22-W199 HydrophobicContact CB-CZ2 3.96Å; A22-W199 HydrophobicContact CB-CZ3 3.66Å
23S87Confident89.1Confident2 Ų218.7 Ų18.71%0.01410%0.096CC..Hα-helixtrans-59.4-42.8-175.2-169.20000110.3D19 L20 T27 N235 V238D19-S23 PolarHBondContact O-N 3.26Å; D19-S23 VanDerWaalsContact O-N 3.13Å; L20-S23 PolarHBondContact O-N 2.9Å; S23-T27 WeakPolarHBondContact O-CB 3.3Å; S23-T27 PolarHBondContact O-N 3.48Å; S23-T27 VanDerWaalsContact O-N 3.11Å; S23-T27 PolarHBondContact O-OG1 3.25Å; S23-N235 WeakPolarHBondContact CB-OD1 3.5Å; S23-N235 PolarHBondContact OG-OD1 2.93Å; S23-V238 WeakPolarHBondContact OG-CB 3.39Å; S23-V238 WeakPolarHBondContact OG-CG1 3.16Å
24V87.5Confident88.3Confident1 Ų121 Ų211%0.00611%0.105CC..Hα-helixtrans-72.2-42.7175.3172.60000112.7L20 A22 F26 T27 Y28 T29 F166 F170 V238 L327 I331L20-V24 PolarHBondContact O-N 3.09Å; A22-V24 VanDerWaalsContact C-N 3.26Å; A22-V24 PolarHBondContact O-N 3.3Å; V24-F26 PolarHBondContact O-N 3.27Å; V24-T27 PolarHBondContact O-N 3.02Å; V24-Y28 HydrophobicContact CB-CD2 4.32Å; V24-Y28 HydrophobicContact CG1-CD2 4.23Å; V24-Y28 HydrophobicContact CG2-CD2 4.19Å; V24-Y28 PolarHBondContact O-N 2.96Å; V24-T29 PolarHBondContact O-N 3.46Å; V24-F166 HydrophobicContact CB-CZ 3.98Å; V24-F166 HydrophobicContact CG1-CZ 3.92Å; V24-F170 HydrophobicContact CG1-CD2 4.33Å; V24-F170 HydrophobicContact CG1-CE1 3.85Å; V24-F170 HydrophobicContact CG1-CE2 3.64Å; V24-F170 HydrophobicContact CG1-CZ 3.38Å; V24-V238 HydrophobicContact CG2-CB 4.46Å; V24-V238 HydrophobicContact CG2-CG1 3.42Å; V24-V238 VanDerWaalsContact CG2-CG1 3.42Å; V24-V238 HydrophobicContact CG2-CG2 4.17Å; V24-L327 HydrophobicContact CG1-CD2 4.49Å; V24-L327 HydrophobicContact CG2-CD2 3.74Å; V24-L327 HydrophobicContact CG2-CG 4.19Å; V24-I331 HydrophobicContact CB-CD1 4.18Å; V24-I331 HydrophobicContact CG2-CD1 3.2Å
25W88.8Confident87.6Confident6 Ų623.6 Ų23.62%0.02312%0.117CC..Hα-helixtrans-58.2-49.1-178.8172.9-100.1000111.6C21 A22 T29 I48 V192 F195C21-W25 WeakPolarHBondContact O-CB 3.24Å; C21-W25 PolarHBondContact O-N 3.33Å; A22-W25 PolarHBondContact O-N 2.68Å; W25-T29 VanDerWaalsContact CA-OG1 3.23Å; W25-T29 WeakPolarHBondContact CA-OG1 3.27Å; W25-T29 HydrophobicContact CE3-CG2 3.95Å; W25-T29 HydrophobicContact CH2-CG2 4.12Å; W25-T29 HydrophobicContact CZ3-CG2 3.69Å; W25-T29 WeakPolarHBondContact O-CB 3.22Å; W25-T29 PolarHBondContact O-OG1 2.69Å; W25-I48 HydrophobicContact CZ2-CG1 4.44Å; W25-I48 HydrophobicContact CZ2-CG2 4.46Å; W25-V192 HydrophobicContact CH2-CB 4.35Å; W25-V192 HydrophobicContact CH2-CG1 3.51Å; W25-V192 HydrophobicContact CH2-CG2 3.88Å; W25-V192 HydrophobicContact CZ2-CG1 4.26Å; W25-V192 HydrophobicContact CZ3-CG1 4.21Å; W25-V192 HydrophobicContact CZ3-CG2 3.89Å; W25-F195 HydrophobicContact CB-CE1 4.32Å; W25-F195 HydrophobicContact CB-CZ 4.47Å; W25-F195 AromaticContact CD2-CE1 3.83Å; W25-F195 HydrophobicContact CD2-CE1 3.83Å; W25-F195 HydrophobicContact CE3-CD1 4.16Å; W25-F195 AromaticContact CE3-CE1 3.78Å; W25-F195 HydrophobicContact CE3-CE1 3.78Å; W25-F195 HydrophobicContact CG-CE1 4.05Å; W25-F195 HydrophobicContact CZ3-CD1 4.4Å; W25-F195 HydrophobicContact CZ3-CE1 4.45Å
26F80Confident86.8Confident123 Ų12323.4 Ų23.454%0.53912%0.116SC..Hα-helixtrans-77.9-32-178.6-70-66.5000113.2A22 V24 W199A22-F26 HydrophobicContact CB-CD2 4.4Å; A22-F26 VanDerWaalsContact O-CD2 3.24Å; A22-F26 WeakPolarHBondContact O-CD2 3.22Å; A22-F26 PolarHBondContact O-N 2.98Å; V24-F26 PolarHBondContact O-N 3.27Å; F26-W199 HydrophobicContact CE2-CH2 4.07Å; F26-W199 HydrophobicContact CE2-CZ2 4.44Å
27T76.5Confident86.2Confident48 Ų4823.4 Ų23.429%0.29412%0.116SC..Hα-helixtrans-86.8-40.4-175.1-50.90000113.3S23 V24 Y239S23-T27 WeakPolarHBondContact O-CB 3.3Å; S23-T27 PolarHBondContact O-N 3.48Å; S23-T27 VanDerWaalsContact O-N 3.11Å; S23-T27 PolarHBondContact O-OG1 3.25Å; V24-T27 PolarHBondContact O-N 3.02Å; T27-Y239 HydrophobicContact CG2-CE1 3.84Å; T27-Y239 PolarHBondContact OG1-OH 3.35Å
28Y81.5Confident85.5Confident31 Ų3125.3 Ų25.312%0.12214%0.135CC..Hα-helixtrans-119.1-17.5-164.8-55.8-62.7000115.6V24 L30 V31 F32 V238 T242 F324V24-Y28 HydrophobicContact CB-CD2 4.32Å; V24-Y28 HydrophobicContact CG1-CD2 4.23Å; V24-Y28 HydrophobicContact CG2-CD2 4.19Å; V24-Y28 PolarHBondContact O-N 2.96Å; Y28-L30 VanDerWaalsContact C-N 3.35Å; Y28-L30 PolarHBondContact O-N 2.91Å; Y28-V31 PolarHBondContact O-N 2.96Å; Y28-F32 WeakPolarHBondContact O-CB 3.36Å; Y28-F32 PolarHBondContact O-N 2.9Å; Y28-V238 HydrophobicContact CE2-CG1 3.95Å; Y28-T242 HydrophobicContact CE1-CG2 3.8Å; Y28-T242 HydrophobicContact CE2-CG2 4.01Å; Y28-T242 VanDerWaalsContact CE2-OG1 3.23Å; Y28-T242 WeakPolarHBondContact CE2-OG1 3.45Å; Y28-T242 WeakPolarHBondContact OH-CB 3.17Å; Y28-T242 WeakPolarHBondContact OH-CG2 3.49Å; Y28-T242 PolarHBondContact OH-OG1 3Å; Y28-F324 VanDerWaalsContact CB-CE1 3.49Å; Y28-F324 HydrophobicContact CD1-CE1 4.24Å; Y28-F324 HydrophobicContact CD1-CZ 4.31Å; Y28-F324 HydrophobicContact CD2-CE1 4.23Å; Y28-F324 AromaticContact CG-CE1 3.74Å; Y28-F324 HydrophobicContact CG-CE1 3.74Å; Y28-F324 HydrophobicContact CG-CZ 4.27Å
29T84Confident85Confident0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-55.9-45.1-175.5-58.10000113.4V24 W25 V31 F32 F33 I48V24-T29 PolarHBondContact O-N 3.46Å; W25-T29 VanDerWaalsContact CA-OG1 3.23Å; W25-T29 WeakPolarHBondContact CA-OG1 3.27Å; W25-T29 HydrophobicContact CE3-CG2 3.95Å; W25-T29 HydrophobicContact CH2-CG2 4.12Å; W25-T29 HydrophobicContact CZ3-CG2 3.69Å; W25-T29 WeakPolarHBondContact O-CB 3.22Å; W25-T29 PolarHBondContact O-OG1 2.69Å; T29-V31 PolarHBondContact O-N 3.44Å; T29-F32 PolarHBondContact O-N 2.89Å; T29-F33 HydrophobicContact CG2-CD2 3.59Å; T29-F33 HydrophobicContact CG2-CE2 3.26Å; T29-F33 HydrophobicContact CG2-CZ 4.12Å; T29-F33 WeakPolarHBondContact O-CD2 3.3Å; T29-F33 PolarHBondContact O-N 2.89Å; T29-I48 HydrophobicContact CG2-CD1 4.39Å; T29-I48 HydrophobicContact CG2-CG1 4.17Å
30L79Confident84.4Confident79 Ų7927.8 Ų27.841%0.41415%0.152SC..Hα-helixtrans-64.7-43.4-178.9-167.1151.2000111Y28 K34 I48Y28-L30 VanDerWaalsContact C-N 3.35Å; Y28-L30 PolarHBondContact O-N 2.91Å; L30-K34 VanDerWaalsContact O-CB 3.22Å; L30-K34 WeakPolarHBondContact O-CB 3.23Å; L30-K34 PolarHBondContact O-N 3.33Å; L30-I48 HydrophobicContact CB-CD1 3.74Å; L30-I48 HydrophobicContact CD1-CD1 4.04Å; L30-I48 HydrophobicContact CG-CD1 4.17Å
31V77.1Confident83.6Confident43 Ų4331.2 Ų31.226%0.26117%0.173SC..Hα-helixtrans-62.9-46.4177.5-177.80000110Y28 T29 K34 F35 F316Y28-V31 PolarHBondContact O-N 2.96Å; T29-V31 PolarHBondContact O-N 3.44Å; V31-K34 PolarHBondContact O-N 3.03Å; V31-F35 HydrophobicContact CB-CD2 4.43Å; V31-F35 HydrophobicContact CG1-CD2 3.83Å; V31-F35 WeakPolarHBondContact O-CB 3.45Å; V31-F35 PolarHBondContact O-N 3.42Å; V31-F316 HydrophobicContact CB-CZ 4.5Å; V31-F316 HydrophobicContact CG1-CB 4.39Å; V31-F316 HydrophobicContact CG1-CD1 3.68Å; V31-F316 HydrophobicContact CG1-CD2 3.75Å; V31-F316 HydrophobicContact CG1-CE1 3.69Å; V31-F316 HydrophobicContact CG1-CE2 3.72Å; V31-F316 HydrophobicContact CG1-CG 3.68Å; V31-F316 HydrophobicContact CG1-CZ 3.67Å
32F85.1Confident82.9Confident0 Ų035.4 Ų35.40%020%0.202CC..Iπ-helixtrans-58.9-49.6177.7175.2-97.9000112.5Y28 T29 G36 I37 I169 F170 I321 F324Y28-F32 WeakPolarHBondContact O-CB 3.36Å; Y28-F32 PolarHBondContact O-N 2.9Å; T29-F32 PolarHBondContact O-N 2.89Å; F32-G36 CarbonylContact O-C 3.29Å; F32-G36 WeakPolarHBondContact O-CA 3.28Å; F32-G36 PolarHBondContact O-N 3.04Å; F32-I37 HydrophobicContact CD1-CG1 4.07Å; F32-I37 HydrophobicContact CE1-CD1 3.95Å; F32-I37 HydrophobicContact CE1-CG1 3.49Å; F32-I37 VanDerWaalsContact CE1-CG1 3.49Å; F32-I37 HydrophobicContact CE2-CD1 4.27Å; F32-I37 HydrophobicContact CE2-CG1 4.38Å; F32-I37 HydrophobicContact CZ-CD1 3.61Å; F32-I37 HydrophobicContact CZ-CG1 3.68Å; F32-I37 PolarHBondContact O-N 3.45Å; F32-I169 WeakPolarHBondContact CE1-O 3.3Å; F32-F170 HydrophobicContact CB-CD1 4.28Å; F32-F170 HydrophobicContact CB-CE1 4.05Å; F32-F170 HydrophobicContact CD1-CD1 4.06Å; F32-F170 HydrophobicContact CD1-CE1 4.31Å; F32-F170 AromaticContact CD2-CD1 4Å; F32-F170 HydrophobicContact CD2-CD1 4Å; F32-F170 HydrophobicContact CE1-CD1 4.41Å; F32-F170 HydrophobicContact CE2-CD1 4.34Å; F32-F170 AromaticContact CG-CD1 3.84Å; F32-F170 HydrophobicContact CG-CD1 3.84Å; F32-F170 HydrophobicContact CG-CE1 4.07Å; F32-I321 HydrophobicContact CE2-CG1 4.25Å; F32-I321 HydrophobicContact CE2-CG2 4.26Å; F32-F324 HydrophobicContact CD2-CB 4Å; F32-F324 HydrophobicContact CD2-CD1 4.47Å; F32-F324 HydrophobicContact CD2-CD2 4.28Å; F32-F324 AromaticContact CD2-CG 3.92Å; F32-F324 HydrophobicContact CD2-CG 3.92Å; F32-F324 HydrophobicContact CE2-CB 4.09Å; F32-F324 HydrophobicContact CE2-CG 4.5Å
33F86.4Confident82.5Confident0 Ų038.3 Ų38.30%022%0.215CC..Iπ-helixtrans-67.9-42.5179.7-72-40.1000112.8T29 I37 G38 I39 A44 I47 I169 Y188T29-F33 HydrophobicContact CG2-CD2 3.59Å; T29-F33 HydrophobicContact CG2-CE2 3.26Å; T29-F33 HydrophobicContact CG2-CZ 4.12Å; T29-F33 WeakPolarHBondContact O-CD2 3.3Å; T29-F33 PolarHBondContact O-N 2.89Å; F33-I37 HydrophobicContact CD1-CG1 4.41Å; F33-G38 PolarHBondContact O-N 3.48Å; F33-G38 VanDerWaalsContact O-N 3.11Å; F33-I39 HydrophobicContact CB-CB 4.44Å; F33-I39 HydrophobicContact CB-CD1 4.3Å; F33-I39 HydrophobicContact CD1-CD1 3.93Å; F33-I39 HydrophobicContact CG-CD1 4.28Å; F33-I39 PolarHBondContact O-N 3.07Å; F33-A44 HydrophobicContact CB-CB 3.73Å; F33-I47 HydrophobicContact CD2-CB 4.49Å; F33-I47 HydrophobicContact CD2-CD1 4.11Å; F33-I47 HydrophobicContact CD2-CG2 4.33Å; F33-I47 HydrophobicContact CE2-CB 4.15Å; F33-I47 HydrophobicContact CE2-CD1 4.06Å; F33-I47 HydrophobicContact CE2-CG2 3.53Å; F33-I47 HydrophobicContact CG-CD1 4.36Å; F33-I47 HydrophobicContact CZ-CD1 4.27Å; F33-I47 HydrophobicContact CZ-CG2 4Å; F33-I169 HydrophobicContact CZ-CG2 4.03Å; F33-Y188 HydrophobicContact CD1-CD2 4.46Å; F33-Y188 HydrophobicContact CD1-CE2 4.48Å; F33-Y188 AromaticContact CE1-CD1 3.61Å; F33-Y188 HydrophobicContact CE1-CD1 3.61Å; F33-Y188 AromaticContact CE1-CD2 3.97Å; F33-Y188 HydrophobicContact CE1-CD2 3.97Å; F33-Y188 AromaticContact CE1-CE1 3.8Å; F33-Y188 HydrophobicContact CE1-CE1 3.8Å; F33-Y188 HydrophobicContact CE1-CE2 4.16Å; F33-Y188 AromaticContact CE1-CG 3.71Å; F33-Y188 HydrophobicContact CE1-CG 3.71Å; F33-Y188 HydrophobicContact CZ-CD1 4.05Å; F33-Y188 HydrophobicContact CZ-CG 4.15Å
34K80.1Confident82.4Confident72 Ų7238.2 Ų38.231%0.31321%0.214SC..Iπ-helixtrans-71-50.8-177.1-178.7176.2173.9-179.50112.4L30 V31 G38 T41L30-K34 VanDerWaalsContact O-CB 3.22Å; L30-K34 WeakPolarHBondContact O-CB 3.23Å; L30-K34 PolarHBondContact O-N 3.33Å; V31-K34 PolarHBondContact O-N 3.03Å; K34-G38 WeakPolarHBondContact O-CA 3.47Å; K34-T41 HydrophobicContact CD-CG2 4.15Å; K34-T41 WeakPolarHBondContact CD-OG1 3.3Å; K34-T41 WeakPolarHBondContact CE-OG1 3.46Å
35F82.3Confident82.1Confident56 Ų5639.6 Ų39.625%0.24623%0.228CC..Iπ-helixtrans-101.4-38-170.4-60.5-68.2000113.2V31 I314 F316V31-F35 HydrophobicContact CB-CD2 4.43Å; V31-F35 HydrophobicContact CG1-CD2 3.83Å; V31-F35 WeakPolarHBondContact O-CB 3.45Å; V31-F35 PolarHBondContact O-N 3.42Å; F35-I314 HydrophobicContact CD1-CG2 4.06Å; F35-I314 HydrophobicContact CD2-CG2 3.98Å; F35-I314 HydrophobicContact CE1-CB 4.25Å; F35-I314 HydrophobicContact CE1-CD1 3.59Å; F35-I314 HydrophobicContact CE1-CG1 4.49Å; F35-I314 HydrophobicContact CE1-CG2 4.07Å; F35-I314 HydrophobicContact CE2-CD1 3.68Å; F35-I314 HydrophobicContact CE2-CG2 3.98Å; F35-I314 HydrophobicContact CG-CG2 4.03Å; F35-I314 HydrophobicContact CZ-CB 4.38Å; F35-I314 HydrophobicContact CZ-CD1 3.05Å; F35-I314 HydrophobicContact CZ-CG1 4.24Å; F35-I314 HydrophobicContact CZ-CG2 4.05Å; F35-F316 HydrophobicContact CB-CD1 3.57Å; F35-F316 HydrophobicContact CB-CE1 4.21Å; F35-F316 HydrophobicContact CB-CG 4.49Å
36G80.6Confident81.9Confident1 Ų142.7 Ų42.71%0.0125%0.245CC..Iπ-helixtrans-70.7-65.7175.200000110.8F32 K318 I321F32-G36 CarbonylContact O-C 3.29Å; F32-G36 WeakPolarHBondContact O-CA 3.28Å; F32-G36 PolarHBondContact O-N 3.04Å; G36-K318 VanDerWaalsContact O-CG 3.23Å; G36-K318 WeakPolarHBondContact O-CG 3.32Å; G36-I321 WeakPolarHBondContact O-CD1 3.31Å
37I85.2Confident82.3Confident9 Ų936.9 Ų36.95%0.04622%0.219CC..Iπ-helixtrans-79.8-23.2-173.9-56.5-58000113F32 F33 I39 K184 Y188 I321F32-I37 HydrophobicContact CD1-CG1 4.07Å; F32-I37 HydrophobicContact CE1-CD1 3.95Å; F32-I37 HydrophobicContact CE1-CG1 3.49Å; F32-I37 VanDerWaalsContact CE1-CG1 3.49Å; F32-I37 HydrophobicContact CE2-CD1 4.27Å; F32-I37 HydrophobicContact CE2-CG1 4.38Å; F32-I37 HydrophobicContact CZ-CD1 3.61Å; F32-I37 HydrophobicContact CZ-CG1 3.68Å; F32-I37 PolarHBondContact O-N 3.45Å; F33-I37 HydrophobicContact CD1-CG1 4.41Å; I37-I39 HydrophobicContact CB-CG1 4.35Å; I37-I39 HydrophobicContact CG2-CD1 4.13Å; I37-I39 HydrophobicContact CG2-CG1 3.85Å; I37-K184 HydrophobicContact CG2-CD 3.9Å; I37-K184 PolarHBondContact O-NZ 3.15Å; I37-Y188 WeakPolarHBondContact CD1-OH 3.36Å; I37-Y188 HydrophobicContact CG2-CE2 4.04Å; I37-I321 HydrophobicContact CD1-CD1 4.05Å
38G82.9Confident82.7Confident39 Ų3936.4 Ų36.440%0.40222%0.215SC..  trans74.433.8-177.400000113.4F33 K34F33-G38 PolarHBondContact O-N 3.48Å; F33-G38 VanDerWaalsContact O-N 3.11Å; K34-G38 WeakPolarHBondContact O-CA 3.47Å
39I84.9Confident82.8Confident2 Ų239 Ų391%0.0123%0.23CC..  trans-75.9134.6168.5-62.7179.9000107.8F33 I37 T41 M43 A44 I47 K184 M185 Y188F33-I39 HydrophobicContact CB-CB 4.44Å; F33-I39 HydrophobicContact CB-CD1 4.3Å; F33-I39 HydrophobicContact CD1-CD1 3.93Å; F33-I39 HydrophobicContact CG-CD1 4.28Å; F33-I39 PolarHBondContact O-N 3.07Å; I37-I39 HydrophobicContact CB-CG1 4.35Å; I37-I39 HydrophobicContact CG2-CD1 4.13Å; I37-I39 HydrophobicContact CG2-CG1 3.85Å; I39-T41 PolarHBondContact O-N 3.41Å; I39-M43 HydrophobicContact CG2-CB 3.56Å; I39-A44 HydrophobicContact CG2-CB 4.27Å; I39-I47 HydrophobicContact CD1-CD1 3.82Å; I39-K184 HydrophobicContact CD1-CB 4.1Å; I39-K184 HydrophobicContact CG1-CB 4.21Å; I39-K184 HydrophobicContact CG1-CD 3.96Å; I39-M185 HydrophobicContact CG2-SD 4.26Å; I39-Y188 HydrophobicContact CD1-CD2 3.89Å; I39-Y188 HydrophobicContact CD1-CE2 4.16Å
40P83.8Confident83Confident59 Ų5941 Ų4138%0.38324%0.242SC..  trans-51.9139173.7-26.635.5000111.8S42 M43 A44 T181P40-S42 PolarHBondContact O-N 2.91Å; P40-S42 VanDerWaalsContact O-N 3.1Å; P40-M43 HydrophobicContact CB-CG 4.44Å; P40-M43 WeakPolarHBondContact O-CA 3.35Å; P40-M43 WeakPolarHBondContact O-CB 3.38Å; P40-M43 PolarHBondContact O-N 3.32Å; P40-A44 PolarHBondContact O-N 3.08Å; P40-T181 VanDerWaalsContact CD-CG2 3.42Å; P40-T181 HydrophobicContact CG-CG2 3.9Å
41T78.2Confident83.5Confident73 Ų7337.2 Ų37.245%0.44822%0.222SC..Hα-helixtrans-50.1-41.6-174.6-49.60000113.4K34 I39 M43 A44 G45K34-T41 HydrophobicContact CD-CG2 4.15Å; K34-T41 WeakPolarHBondContact CD-OG1 3.3Å; K34-T41 WeakPolarHBondContact CE-OG1 3.46Å; I39-T41 PolarHBondContact O-N 3.41Å; T41-M43 VanDerWaalsContact C-N 3.34Å; T41-M43 PolarHBondContact O-N 3.46Å; T41-A44 PolarHBondContact O-N 3.02Å; T41-G45 PolarHBondContact O-N 2.78Å
42S79Confident83.9Confident88 Ų8836.9 Ų36.962%0.61522%0.218SC*.Hα-helixtrans-62.1-40.2178.352.80000112.7P40 G45 L46P40-S42 PolarHBondContact O-N 2.91Å; P40-S42 VanDerWaalsContact O-N 3.1Å; S42-G45 PolarHBondContact O-N 3.25Å; S42-L46 PolarHBondContact O-N 2.95Å
43M83.8Confident84.1Confident73 Ų7341.3 Ų41.336%0.3624%0.241SC..Hα-helixtrans-75.1-36.9179.1-67.2-65.2143.700111.7I39 P40 T41 G45 L46 I47 T181 M185I39-M43 HydrophobicContact CG2-CB 3.56Å; P40-M43 HydrophobicContact CB-CG 4.44Å; P40-M43 WeakPolarHBondContact O-CA 3.35Å; P40-M43 WeakPolarHBondContact O-CB 3.38Å; P40-M43 PolarHBondContact O-N 3.32Å; T41-M43 VanDerWaalsContact C-N 3.34Å; T41-M43 PolarHBondContact O-N 3.46Å; M43-G45 VanDerWaalsContact C-N 3.33Å; M43-L46 WeakPolarHBondContact O-CB 3.46Å; M43-L46 PolarHBondContact O-N 3.05Å; M43-L46 HydrophobicContact SD-CD2 4.15Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.24Å; M43-T181 HydrophobicContact CG-CG2 4.28Å; M43-M185 HydrophobicContact CB-CE 4.11Å; M43-M185 HydrophobicContact CB-SD 3.76Å; M43-M185 HydrophobicContact SD-CE 4.06Å
44A83.8Confident84.4Confident0 Ų042.7 Ų42.70%025%0.25CC..Hα-helixtrans-61.4-42.7171.400000111.4F33 I39 P40 T41 L46 I47 I48F33-A44 HydrophobicContact CB-CB 3.73Å; I39-A44 HydrophobicContact CG2-CB 4.27Å; P40-A44 PolarHBondContact O-N 3.08Å; T41-A44 PolarHBondContact O-N 3.02Å; A44-L46 VanDerWaalsContact C-N 3.35Å; A44-I47 PolarHBondContact O-N 3.05Å; A44-I48 PolarHBondContact O-N 3.16Å
45G80.3Confident85Confident30 Ų3039.3 Ų39.331%0.30924%0.235SC..Hα-helixtrans-60.7-41.217200000112.7T41 S42 M43 I47 I48 L49T41-G45 PolarHBondContact O-N 2.78Å; S42-G45 PolarHBondContact O-N 3.25Å; M43-G45 VanDerWaalsContact C-N 3.33Å; G45-I47 VanDerWaalsContact C-N 3.35Å; G45-I47 PolarHBondContact O-N 2.89Å; G45-I48 PolarHBondContact O-N 3.46Å; G45-L49 WeakPolarHBondContact O-CB 3.42Å; G45-L49 PolarHBondContact O-N 3.21Å
46L85.5Confident85.4Confident71 Ų7136.9 Ų36.937%0.37223%0.226SC..Hα-helixtrans-60.4-40.7175.3-177.668000112.3S42 M43 A44 I48 L49 V50 M185S42-L46 PolarHBondContact O-N 2.95Å; M43-L46 WeakPolarHBondContact O-CB 3.46Å; M43-L46 PolarHBondContact O-N 3.05Å; M43-L46 HydrophobicContact SD-CD2 4.15Å; A44-L46 VanDerWaalsContact C-N 3.35Å; L46-I48 VanDerWaalsContact C-N 3.32Å; L46-I48 PolarHBondContact O-N 2.97Å; L46-L49 HydrophobicContact CD1-CD2 4.47Å; L46-L49 PolarHBondContact O-N 2.87Å; L46-V50 HydrophobicContact CD1-CG2 4.41Å; L46-V50 HydrophobicContact CG-CG2 4.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.46Å; L46-V50 PolarHBondContact O-N 3.16Å; L46-M185 HydrophobicContact CB-CE 4.37Å; L46-M185 HydrophobicContact CD2-CE 3.84Å; L46-M185 HydrophobicContact CG-CE 4.34Å
47I88.5Confident86.1Confident0 Ų041.9 Ų41.90%025%0.252CS..Hα-helixtrans-59-45.8175.7-65.8168.6000110.6F33 I39 M43 A44 G45 G51 M185 L189 V192F33-I47 HydrophobicContact CD2-CB 4.49Å; F33-I47 HydrophobicContact CD2-CD1 4.11Å; F33-I47 HydrophobicContact CD2-CG2 4.33Å; F33-I47 HydrophobicContact CE2-CB 4.15Å; F33-I47 HydrophobicContact CE2-CD1 4.06Å; F33-I47 HydrophobicContact CE2-CG2 3.53Å; F33-I47 HydrophobicContact CG-CD1 4.36Å; F33-I47 HydrophobicContact CZ-CD1 4.27Å; F33-I47 HydrophobicContact CZ-CG2 4Å; I39-I47 HydrophobicContact CD1-CD1 3.82Å; M43-I47 WeakPolarHBondContact O-CG1 3.49Å; M43-I47 PolarHBondContact O-N 3.24Å; A44-I47 PolarHBondContact O-N 3.05Å; G45-I47 VanDerWaalsContact C-N 3.35Å; G45-I47 PolarHBondContact O-N 2.89Å; I47-G51 PolarHBondContact O-N 3.37Å; I47-M185 HydrophobicContact CD1-CE 4.34Å; I47-M185 HydrophobicContact CD1-SD 3.73Å; I47-M185 HydrophobicContact CG1-CE 3.73Å; I47-M185 HydrophobicContact CG1-SD 3.81Å; I47-L189 HydrophobicContact CB-CD2 4.48Å; I47-L189 HydrophobicContact CG1-CD2 4.1Å; I47-V192 HydrophobicContact CG2-CB 4.25Å; I47-V192 HydrophobicContact CG2-CG1 4.32Å; I47-V192 HydrophobicContact CG2-CG2 3.65Å
48I85.9Confident86.7Confident38 Ų3844.8 Ų44.820%0.19527%0.266CS..Hα-helixtrans-65.3-43.1179.4-64.4171.5000110.7W25 T29 L30 A44 G45 L46 G51 Q52W25-I48 HydrophobicContact CZ2-CG1 4.44Å; W25-I48 HydrophobicContact CZ2-CG2 4.46Å; T29-I48 HydrophobicContact CG2-CD1 4.39Å; T29-I48 HydrophobicContact CG2-CG1 4.17Å; L30-I48 HydrophobicContact CB-CD1 3.74Å; L30-I48 HydrophobicContact CD1-CD1 4.04Å; L30-I48 HydrophobicContact CG-CD1 4.17Å; A44-I48 PolarHBondContact O-N 3.16Å; G45-I48 PolarHBondContact O-N 3.46Å; L46-I48 VanDerWaalsContact C-N 3.32Å; L46-I48 PolarHBondContact O-N 2.97Å; I48-G51 WeakPolarHBondContact O-CA 3.2Å; I48-G51 PolarHBondContact O-N 3.36Å; I48-G51 VanDerWaalsContact O-N 3.13Å; I48-Q52 PolarHBondContact O-N 3.47Å
49L83.6Confident87.3Confident85 Ų8542.9 Ų42.945%0.44525%0.247SC..Hα-helixtrans-59.9-48.7177.8179.867.4000111.7G45 L46 G51 Q52 L53G45-L49 WeakPolarHBondContact O-CB 3.42Å; G45-L49 PolarHBondContact O-N 3.21Å; L46-L49 HydrophobicContact CD1-CD2 4.47Å; L46-L49 PolarHBondContact O-N 2.87Å; L49-G51 PolarHBondContact O-N 2.83Å; L49-Q52 PolarHBondContact O-N 3.4Å; L49-L53 HydrophobicContact CG-CD1 4.34Å; L49-L53 WeakPolarHBondContact O-CG 3.16Å; L49-L53 PolarHBondContact O-N 2.97Å
50V87.7Confident87.8Confident42 Ų4244 Ų4426%0.25525%0.254SS..Hα-helixtrans-57.3-41.1175170.50000110L46 Q52 L53 V54 L189L46-V50 HydrophobicContact CD1-CG2 4.41Å; L46-V50 HydrophobicContact CG-CG2 4.49Å; L46-V50 WeakPolarHBondContact O-CG2 3.46Å; L46-V50 PolarHBondContact O-N 3.16Å; V50-Q52 PolarHBondContact O-N 2.86Å; V50-L53 PolarHBondContact O-N 3.3Å; V50-V54 HydrophobicContact CG1-CG2 4.27Å; V50-V54 WeakPolarHBondContact O-CG2 3.25Å; V50-V54 PolarHBondContact O-N 2.93Å; V50-L189 HydrophobicContact CB-CD2 3.96Å; V50-L189 HydrophobicContact CG1-CD2 4.05Å; V50-L189 HydrophobicContact CG2-CD2 3.94Å
51G88.9Confident88.3Confident0 Ų044.5 Ų44.50%026%0.256CS..Hα-helixtrans-59.5-45.8176.500000113.8I47 I48 L49 V54 D55 Q196I47-G51 PolarHBondContact O-N 3.37Å; I48-G51 WeakPolarHBondContact O-CA 3.2Å; I48-G51 PolarHBondContact O-N 3.36Å; I48-G51 VanDerWaalsContact O-N 3.13Å; L49-G51 PolarHBondContact O-N 2.83Å; G51-V54 PolarHBondContact O-N 2.79Å; G51-D55 WeakPolarHBondContact O-CB 3.35Å; G51-D55 PolarHBondContact O-N 2.87Å; G51-Q196 VanDerWaalsContact O-CG 3.3Å; G51-Q196 WeakPolarHBondContact O-CG 3.41Å
52Q85.5Confident89.1Confident36 Ų3641.4 Ų41.417%0.16824%0.236CC..Hα-helixtrans-64.7-39.1176.6-65.2-58.2-53.100112.6I48 L49 V50 G56I48-Q52 PolarHBondContact O-N 3.47Å; L49-Q52 PolarHBondContact O-N 3.4Å; V50-Q52 PolarHBondContact O-N 2.86Å; Q52-G56 PolarHBondContact O-N 3.42Å
53L88.7Confident89.8Confident94 Ų9437.2 Ų37.249%0.49221%0.207SC..Hα-helixtrans-64.6-44.6177.2-72.2173.5000111.6L49 V50 L57L49-L53 HydrophobicContact CG-CD1 4.34Å; L49-L53 WeakPolarHBondContact O-CG 3.16Å; L49-L53 PolarHBondContact O-N 2.97Å; V50-L53 PolarHBondContact O-N 3.3Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 2.92Å
54V94.1Very high90.2Very high29 Ų2935.4 Ų35.418%0.17620%0.199CC..Hα-helixtrans-63.1-47.6177.2173.30000110.7V50 G51 L57 M58 A193 Q196V50-V54 HydrophobicContact CG1-CG2 4.27Å; V50-V54 WeakPolarHBondContact O-CG2 3.25Å; V50-V54 PolarHBondContact O-N 2.93Å; G51-V54 PolarHBondContact O-N 2.79Å; V54-L57 PolarHBondContact O-N 2.57Å; V54-M58 HydrophobicContact CG1-CG 4.05Å; V54-M58 VanDerWaalsContact O-CB 3.28Å; V54-M58 WeakPolarHBondContact O-CB 3.49Å; V54-M58 WeakPolarHBondContact O-CG 3.47Å; V54-M58 PolarHBondContact O-N 3Å; V54-A193 HydrophobicContact CG1-CB 4.38Å; V54-A193 WeakPolarHBondContact CG1-O 3.42Å; V54-A193 HydrophobicContact CG2-CB 4.07Å; V54-Q196 HydrophobicContact CB-CB 4.2Å; V54-Q196 HydrophobicContact CG1-CB 4.03Å
55D91.7Very high90.6Very high1 Ų138.1 Ų38.11%0.00521%0.213CC..Hα-helixtrans-56.3-54.7176.9-177.626.1000111.1G51 L57 M58 T59 Q196 A200 K529G51-D55 WeakPolarHBondContact O-CB 3.35Å; G51-D55 PolarHBondContact O-N 2.87Å; D55-L57 VanDerWaalsContact C-N 3.31Å; D55-L57 PolarHBondContact O-N 3.38Å; D55-M58 PolarHBondContact O-N 2.98Å; D55-T59 WeakPolarHBondContact O-CG2 3.37Å; D55-T59 PolarHBondContact O-N 2.79Å; D55-Q196 HydrophobicContact CB-CB 4.18Å; D55-A200 WeakPolarHBondContact OD1-CB 3.46Å; D55-K529 WeakPolarHBondContact OD2-CE 3.45Å; D55-K529 IonicContact OD2-NZ 2.69Å; D55-K529 PolarHBondContact OD2-NZ 3.34Å
56G92.1Very high91.1Very high5 Ų536.7 Ų36.75%0.05220%0.198CC..Hα-helixtrans-58-38.3-179.400000113.9Q52 T59 P60 F526Q52-G56 PolarHBondContact O-N 3.42Å; G56-T59 PolarHBondContact O-OG1 3.33Å; G56-T59 VanDerWaalsContact O-OG1 3.07Å; G56-P60 WeakPolarHBondContact O-CD 3.43Å; G56-F526 VanDerWaalsContact O-CD2 3.31Å; G56-F526 WeakPolarHBondContact O-CD2 3.34Å
57L94.8Very high91.2Very high106 Ų10633.4 Ų33.456%0.55518%0.181SC*.Hα-helixtrans-74.2-34.1176.4-70.2175.1000112.7L53 V54 D55 P60 V61L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 VanDerWaalsContact O-CG 3.29Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 2.92Å; V54-L57 PolarHBondContact O-N 2.57Å; D55-L57 VanDerWaalsContact C-N 3.31Å; D55-L57 PolarHBondContact O-N 3.38Å; L57-P60 WeakPolarHBondContact O-CD 3.47Å; L57-P60 WeakPolarHBondContact O-CG 3.29Å; L57-V61 WeakPolarHBondContact O-CG2 3.29Å
58M96.4Very high91Very high69 Ų6939.8 Ų39.834%0.3421%0.205SC..Hα-helixtrans-74.9-29.2-178.4-72.4-65.2161.800112.5V54 D55 V61 I62 A197 A200V54-M58 HydrophobicContact CG1-CG 4.05Å; V54-M58 VanDerWaalsContact O-CB 3.28Å; V54-M58 WeakPolarHBondContact O-CB 3.49Å; V54-M58 WeakPolarHBondContact O-CG 3.47Å; V54-M58 PolarHBondContact O-N 3Å; D55-M58 PolarHBondContact O-N 2.98Å; M58-V61 PolarHBondContact O-N 3.17Å; M58-I62 HydrophobicContact CB-CD1 3.94Å; M58-I62 VanDerWaalsContact O-CB 3.3Å; M58-I62 WeakPolarHBondContact O-CB 3.44Å; M58-I62 WeakPolarHBondContact O-CD1 3.47Å; M58-I62 VanDerWaalsContact O-CG1 3.27Å; M58-I62 WeakPolarHBondContact O-CG1 3.24Å; M58-I62 PolarHBondContact O-N 3.46Å; M58-A197 HydrophobicContact CG-CB 4.01Å; M58-A197 HydrophobicContact SD-CB 4.43Å; M58-A200 HydrophobicContact CB-CB 3.74Å
59T96.7Very high90.4Very high0 Ų042.7 Ų42.70%022%0.217CC..Hα-helixtrans-56.6-49.8-179.656.30000114.4D55 G56 G63 A200 I204 G522 F526D55-T59 WeakPolarHBondContact O-CG2 3.37Å; D55-T59 PolarHBondContact O-N 2.79Å; G56-T59 PolarHBondContact O-OG1 3.33Å; G56-T59 VanDerWaalsContact O-OG1 3.07Å; T59-G63 PolarHBondContact O-N 3.22Å; T59-A200 HydrophobicContact CG2-CB 3.9Å; T59-I204 HydrophobicContact CG2-CD1 3.89Å; T59-I204 HydrophobicContact CG2-CG1 3.84Å; T59-G522 WeakPolarHBondContact CB-O 3.27Å; T59-G522 VanDerWaalsContact O-CA 3.25Å; T59-G522 WeakPolarHBondContact O-CA 3.47Å; T59-G522 PolarHBondContact OG1-O 3.36Å; T59-F526 PolarHBondContact OG1-N 2.91Å
60P95Very high89.7Confident26 Ų2639.3 Ų39.317%0.16920%0.2CC..Hα-helixtrans-70.8-34.8176.228.2-36.1000112.8G56 L57 G63 L64 F526G56-P60 WeakPolarHBondContact O-CD 3.43Å; L57-P60 WeakPolarHBondContact O-CD 3.47Å; L57-P60 WeakPolarHBondContact O-CG 3.29Å; P60-G63 PolarHBondContact O-N 3.32Å; P60-L64 WeakPolarHBondContact O-CB 3.25Å; P60-L64 PolarHBondContact O-N 2.98Å; P60-F526 HydrophobicContact CG-CB 4.45Å
61V95Very high88.2Confident68 Ų6841 Ų4141%0.41221%0.214SC..Hα-helixtrans-61.1-50.1178.5170.70000110.2L57 M58 G63 L64 L65L57-V61 WeakPolarHBondContact O-CG2 3.29Å; M58-V61 PolarHBondContact O-N 3.17Å; V61-G63 VanDerWaalsContact C-N 3.35Å; V61-L64 PolarHBondContact O-N 3.41Å; V61-L65 HydrophobicContact CG1-CD1 3.79Å; V61-L65 HydrophobicContact CG1-CG 4.4Å; V61-L65 WeakPolarHBondContact O-CB 3.31Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.17Å; V61-L65 PolarHBondContact O-N 3.38Å
62I95.1Very high86Confident9 Ų946.8 Ų46.85%0.04624%0.24CC..Hα-helixtrans-66.1-40.3178.4-70.9166.9000110.6M58 L64 L65 S66 A200 A201 I204 T205M58-I62 HydrophobicContact CB-CD1 3.94Å; M58-I62 VanDerWaalsContact O-CB 3.3Å; M58-I62 WeakPolarHBondContact O-CB 3.44Å; M58-I62 WeakPolarHBondContact O-CD1 3.47Å; M58-I62 VanDerWaalsContact O-CG1 3.27Å; M58-I62 WeakPolarHBondContact O-CG1 3.24Å; M58-I62 PolarHBondContact O-N 3.46Å; I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 PolarHBondContact O-N 3.33Å; I62-L65 PolarHBondContact O-N 3.33Å; I62-S66 WeakPolarHBondContact O-CB 3.45Å; I62-S66 PolarHBondContact O-N 2.83Å; I62-S66 PolarHBondContact O-OG 3.43Å; I62-A200 HydrophobicContact CD1-CB 3.68Å; I62-A201 HydrophobicContact CD1-CB 3.83Å; I62-A201 VanDerWaalsContact CD1-N 3.31Å; I62-A201 HydrophobicContact CG2-CB 4.4Å; I62-I204 HydrophobicContact CG2-CB 4.28Å; I62-T205 HydrophobicContact CG2-CG2 4.28Å
63G93.9Very high83.9Confident0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-53-53.717300000111.3T59 P60 V61 S66 D67 A518T59-G63 PolarHBondContact O-N 3.22Å; P60-G63 PolarHBondContact O-N 3.32Å; V61-G63 VanDerWaalsContact C-N 3.35Å; G63-S66 PolarHBondContact O-OG 3.24Å; G63-D67 WeakPolarHBondContact O-CB 3.5Å; G63-D67 VanDerWaalsContact O-CG 3.23Å; G63-D67 PolarHBondContact O-N 3.43Å; G63-A518 VanDerWaalsContact CA-C 3.43Å; G63-A518 WeakPolarHBondContact CA-O 3.16Å
64L91.8Very high81.6Confident35 Ų3546 Ų4618%0.18325%0.247CC..Hα-helixtrans-64.5-43.8-179.8-174.766.6000113.4P60 V61 I62 R68 W382 F519P60-L64 WeakPolarHBondContact O-CB 3.25Å; P60-L64 PolarHBondContact O-N 2.98Å; V61-L64 PolarHBondContact O-N 3.41Å; I62-L64 VanDerWaalsContact C-N 3.35Å; I62-L64 PolarHBondContact O-N 3.33Å; L64-R68 WeakPolarHBondContact O-CG 3.43Å; L64-R68 PolarHBondContact O-N 3.12Å; L64-W382 HydrophobicContact CD1-CB 4.05Å; L64-W382 HydrophobicContact CD1-CD2 4.18Å; L64-W382 HydrophobicContact CD1-CG 3.67Å; L64-F519 HydrophobicContact CB-CD2 4.42Å
65L91.3Very high78.4Confident56 Ų5650.3 Ų50.329%0.29327%0.268SS..Hα-helixtrans-69.4-45.2-178.7-69176.5000111.4V61 I62 D67 R68 F69 W154V61-L65 HydrophobicContact CG1-CD1 3.79Å; V61-L65 HydrophobicContact CG1-CG 4.4Å; V61-L65 WeakPolarHBondContact O-CB 3.31Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.17Å; V61-L65 PolarHBondContact O-N 3.38Å; I62-L65 PolarHBondContact O-N 3.33Å; L65-D67 VanDerWaalsContact C-N 3.27Å; L65-D67 PolarHBondContact O-N 2.89Å; L65-R68 PolarHBondContact O-N 3.47Å; L65-F69 WeakPolarHBondContact O-CD2 3.27Å; L65-F69 PolarHBondContact O-N 2.9Å; L65-F69 VanDerWaalsContact O-N 3.14Å; L65-W154 HydrophobicContact CB-CH2 3.79Å; L65-W154 HydrophobicContact CB-CZ2 3.72Å; L65-W154 HydrophobicContact CB-CZ3 4.48Å; L65-W154 HydrophobicContact CD1-CH2 3.79Å; L65-W154 HydrophobicContact CD1-CZ2 4.5Å; L65-W154 HydrophobicContact CD1-CZ3 4.38Å; L65-W154 HydrophobicContact CG-CH2 4.41Å
66S90.5Very high75.2Confident0 Ų054.6 Ų54.60%030%0.296CS..Hα-helixtrans-63.4-34.1-179.968.10000112.5I62 G63 S70 A518I62-S66 WeakPolarHBondContact O-CB 3.45Å; I62-S66 PolarHBondContact O-N 2.83Å; I62-S66 PolarHBondContact O-OG 3.43Å; G63-S66 PolarHBondContact O-OG 3.24Å; S66-S70 VanDerWaalsContact O-CB 3.29Å; S66-S70 WeakPolarHBondContact O-CB 3.38Å; S66-S70 PolarHBondContact O-N 3.33Å; S66-S70 PolarHBondContact O-OG 3.3Å; S66-A518 WeakPolarHBondContact OG-CB 3.4Å
67D88.3Confident72.1Confident3 Ų361.9 Ų61.92%0.01633%0.332CS..Hα-helixtrans-65.1-46.4173.8-75-20000112G63 L65 F69 S70 S71 R151 Q515 H516 G517 A518 F519G63-D67 WeakPolarHBondContact O-CB 3.5Å; G63-D67 VanDerWaalsContact O-CG 3.23Å; G63-D67 PolarHBondContact O-N 3.43Å; L65-D67 VanDerWaalsContact C-N 3.27Å; L65-D67 PolarHBondContact O-N 2.89Å; D67-F69 PolarHBondContact O-N 2.9Å; D67-S70 PolarHBondContact O-N 3.45Å; D67-S71 PolarHBondContact O-N 2.82Å; D67-R151 IonicContact OD1-CZ 3.13Å; D67-R151 VanDerWaalsContact OD1-CZ 3.28Å; D67-R151 IonicContact OD1-NE 2.71Å; D67-R151 PolarHBondContact OD1-NE 3.34Å; D67-R151 VanDerWaalsContact OD1-NE 3.12Å; D67-R151 IonicContact OD1-NH2 2.74Å; D67-R151 PolarHBondContact OD1-NH2 2.97Å; D67-Q515 WeakPolarHBondContact CB-O 3.49Å; D67-Q515 VanDerWaalsContact CG-O 3.31Å; D67-H516 WeakPolarHBondContact OD2-CA 3.38Å; D67-G517 PolarHBondContact OD2-N 3.46Å; D67-A518 WeakPolarHBondContact OD1-CB 3.32Å; D67-A518 PolarHBondContact OD1-N 3.12Å; D67-A518 PolarHBondContact OD2-N 3.49Å; D67-A518 VanDerWaalsContact OD2-N 3.12Å; D67-F519 PolarHBondContact OD2-N 3.22Å
68R84Confident69Low134 Ų13464.1 Ų64.151%0.50634%0.344SS..Hα-helixtrans-59-47178.3-72.9178.5-176.2-167.32.3112.7L64 L65 Q72L64-R68 WeakPolarHBondContact O-CG 3.43Å; L64-R68 PolarHBondContact O-N 3.12Å; L65-R68 PolarHBondContact O-N 3.47Å; R68-Q72 PolarHBondContact O-N 2.78Å
69F73.3Confident65.6Low99 Ų9968.7 Ų68.743%0.43437%0.368SS..Hα-helixtrans-75.7-25.9-177.9-71.5-70.6000113.1L65 D67 S73 W154L65-F69 WeakPolarHBondContact O-CD2 3.27Å; L65-F69 PolarHBondContact O-N 2.9Å; L65-F69 VanDerWaalsContact O-N 3.14Å; D67-F69 PolarHBondContact O-N 2.9Å; F69-S73 PolarHBondContact O-N 2.86Å; F69-S73 PolarHBondContact O-OG 2.65Å; F69-W154 AromaticContact CD2-CZ2 3.59Å; F69-W154 HydrophobicContact CD2-CZ2 3.59Å; F69-W154 AromaticContact CD2-NE1 3.82Å; F69-W154 AromaticContact CE2-CZ2 3.8Å; F69-W154 HydrophobicContact CE2-CZ2 3.8Å
70S70.1Confident62.1Low14 Ų1472.9 Ų72.910%0.09840%0.398CS..Hα-helixtrans-67.7-40.7174.5-60.20000111.9S66 D67 S73 S74 G150 R151S66-S70 VanDerWaalsContact O-CB 3.29Å; S66-S70 WeakPolarHBondContact O-CB 3.38Å; S66-S70 PolarHBondContact O-N 3.33Å; S66-S70 PolarHBondContact O-OG 3.3Å; D67-S70 PolarHBondContact O-N 3.45Å; S70-S73 PolarHBondContact O-OG 3.22Å; S70-S74 PolarHBondContact O-OG 2.88Å; S70-G150 VanDerWaalsContact OG-C 3.31Å; S70-G150 WeakPolarHBondContact OG-CA 3.46Å; S70-R151 WeakPolarHBondContact OG-CG 3.35Å; S70-R151 PolarHBondContact OG-N 3Å
71S54.5Low58.7Low77 Ų7777.2 Ų77.254%0.53843%0.428SS..Hα-helixtrans-63.4-42.1175.3-169.30000112.8D67 S74D67-S71 PolarHBondContact O-N 2.82Å; S71-S74 PolarHBondContact O-N 3.49Å
72Q44.5Very low55.3Low121 Ų12179.6 Ų79.657%0.56545%0.448SS*.Hα-helixtrans-68-36.8-178.5-72.9178.7-5.200112.8R68 S74 I75R68-Q72 PolarHBondContact O-N 2.78Å; Q72-S74 PolarHBondContact O-N 2.92Å; Q72-I75 PolarHBondContact O-N 3.38Å; Q72-I75 VanDerWaalsContact O-N 3.16Å
73S40.4Very low51.8Low37 Ų3784.1 Ų84.126%0.25948%0.481SS..Hα-helixtrans-67.7-19.2-179.170.20000113.3F69 S70 I75 F149F69-S73 PolarHBondContact O-N 2.86Å; F69-S73 PolarHBondContact O-OG 2.65Å; S70-S73 PolarHBondContact O-OG 3.22Å; S73-I75 VanDerWaalsContact C-N 3.31Å; S73-F149 VanDerWaalsContact C-CE2 3.47Å; S73-F149 VanDerWaalsContact CB-CZ 3.41Å; S73-F149 WeakPolarHBondContact O-CE2 3.22Å; S73-F149 WeakPolarHBondContact O-CZ 3.08Å; S73-F149 VanDerWaalsContact OG-CE1 3.27Å; S73-F149 WeakPolarHBondContact OG-CE1 3.5Å; S73-F149 VanDerWaalsContact OG-CE2 3.28Å; S73-F149 WeakPolarHBondContact OG-CE2 3.43Å; S73-F149 WeakPolarHBondContact OG-CZ 3.43Å
74S39.7Very low48.5Very low76 Ų7692.8 Ų92.853%0.53152%0.521SS..THydrogen-bonded Turntrans-79.3-10.8176.2-580000113.8S70 S71 Q72 P76S70-S74 PolarHBondContact O-OG 2.88Å; S71-S74 PolarHBondContact O-N 3.49Å; Q72-S74 PolarHBondContact O-N 2.92Å; S74-P76 VanDerWaalsContact O-CD 3.29Å; S74-P76 WeakPolarHBondContact O-CD 3.48Å
75I27.4Very low45.3Very low121 Ų12195.8 Ų95.862%0.62155%0.545SS*.SBendtrans-78.5112.1170.5-56.7171.6000106.2Q72 S73 L77Q72-I75 PolarHBondContact O-N 3.38Å; Q72-I75 VanDerWaalsContact O-N 3.16Å; S73-I75 VanDerWaalsContact C-N 3.31Å; I75-L77 PolarHBondContact O-N 2.9Å
76P25.3Very low42Very low91 Ų91101.9 Ų101.959%0.59158%0.577SS**  trans-55.8133.2169.2-13.627.8000106.7S74 L78S74-P76 VanDerWaalsContact O-CD 3.29Å; S74-P76 WeakPolarHBondContact O-CD 3.48Å; P76-L78 PolarHBondContact O-N 3.49Å
77L27Very low38.8Very low157 Ų157106.9 Ų106.982%0.82261%0.612SS**  trans-56.979.4167-79.8155.2000108.9I75I75-L77 PolarHBondContact O-N 2.9Å
78L28.6Very low35.7Very low153 Ų153111.7 Ų111.780%0.80165%0.652SS**  trans-88.67.9165.7-85.9165.9000110.5P76 S80P76-L78 PolarHBondContact O-N 3.49Å; L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.35Å
79I25.3Very low32.9Very low165 Ų165110.4 Ų110.485%0.84666%0.664SS**  trans-94.865.2165.7-46.3178.7000107.9
80S22.8Very low30.4Very low89 Ų89110.8 Ų110.862%0.62268%0.679SS**SBendtrans-140.1116.815052.40000106.8L78L78-S80 VanDerWaalsContact C-N 3.25Å; L78-S80 PolarHBondContact O-N 3.35Å
81S24.3Very low28.1Very low116 Ų116116.2 Ų116.281%0.81171%0.711SS**SBendtrans66.385.1167.555.40000118.8
82S24.2Very low26.6Very low119 Ų119119.3 Ų119.383%0.83273%0.726SS**  -166.769.2127.362.30000110.8H84S82-H84 PolarHBondContact O-N 3.48Å
83S21.6Very low25.4Very low104 Ų104121.4 Ų121.473%0.72774%0.736SS**  trans-64.7104.3147.945.90000107.4
84H24.7Very low24.6Very low181 Ų181126.1 Ų126.184%0.83876%0.758SS**  trans-167.9114.7149.8-92-57.8000111S82S82-H84 PolarHBondContact O-N 3.48Å
85S23.7Very low23.9Very low99 Ų99129.2 Ų129.269%0.69277%0.769SS**  trans52.993.5148.458.50000119.5S87S85-S87 PolarHBondContact O-N 2.85Å
86L22.2Very low23.7Very low184 Ų184129.5 Ų129.596%0.96378%0.776SS**  trans-75.3101.1141-80.5102.1000108.3
87S23Very low23.7Very low104 Ų104129.8 Ų129.873%0.72778%0.78SS**  trans-97.8115.1157.135.70000108.4S85S85-S87 PolarHBondContact O-N 2.85Å
88A22.9Very low23.6Very low105 Ų105129.9 Ų129.987%0.86878%0.781SS**  trans-71.1131.2174.800000111
89S25Very low23.4Very low107 Ų107132.5 Ų132.575%0.74878%0.781SS**  trans-153101.415834.90000111
90S22.2Very low23.4Very low107 Ų107132.5 Ų132.575%0.74878%0.781SS**  trans16.2113.5142.4560000120.5
91V21.7Very low23.6Very low128 Ų128136.8 Ų136.878%0.77679%0.792SS**  24.8120118.4-175.20000117.5
92T22.3Very low23.7Very low141 Ų141136 Ų13687%0.86578%0.778SS**  trans-163.5137.4131.116.50000111.7
93H20.3Very low24Very low165 Ų165133.9 Ų133.976%0.76476%0.764SS**  trans-66.8147.7174.4-83.9-111.6000113.1
94N22.9Very low24.3Very low136 Ų136135.7 Ų135.773%0.72777%0.765SS**  159.1142.6118.3-83.1-24.7000114.3
95N24.3Very low24.6Very low142 Ų142133.7 Ų133.776%0.75976%0.756SS**  trans70.7106.8154.7-57.9-11.4000118.1
96V23.8Very low24.7Very low126 Ų126136 Ų13676%0.76476%0.756SS**  72.9106.876.3175.90000112.8
97S24.5Very low25Very low98 Ų98132.5 Ų132.569%0.68574%0.737SS**  trans47.794154.661.10000118.4
98D25.8Very low25.4Very low158 Ų158129.5 Ų129.585%0.84572%0.719SS**  trans179.6109.7130.9-92.2-22000108.8
99R23.6Very low25.6Very low209 Ų209128.6 Ų128.679%0.78970%0.699SS**  trans145.766.4162.5-80.7170.8-158-154.77.4110.6H101R99-H101 PolarHBondContact O-N 3.03Å
100L26.3Very low25.7Very low164 Ų164128.8 Ų128.886%0.85969%0.688SS**SBendtrans-82.119.9166.6-106.3162.5000112.7
101H25.9Very low25.9Very low180 Ų180128.4 Ų128.483%0.83368%0.678SS**SBendtrans-124.8-2-175.8-105.9-74.6000117.2R99R99-H101 PolarHBondContact O-N 3.03Å
102D27.8Very low26.1Very low98 Ų98130.7 Ų130.752%0.52467%0.672SS.*SBendtrans-1154.2177.5-75.8-26.1000114.5N104D102-N104 VanDerWaalsContact C-N 3.35Å; D102-N104 PolarHBondContact O-N 3.24Å
103S29.9Very low26.2Very low76 Ų76132 Ų13253%0.53167%0.666SS.*Hα-helixtrans-75.9-19.8-178.3-29.20000113.9
104N27.4Very low26.4Very low142 Ų142132.6 Ų132.676%0.75966%0.663SS**Hα-helixtrans-85.1-22.2-178-78-20.5000113.6D102 A108D102-N104 VanDerWaalsContact C-N 3.35Å; D102-N104 PolarHBondContact O-N 3.24Å; N104-A108 VanDerWaalsContact O-CB 3.31Å; N104-A108 WeakPolarHBondContact O-CB 3.48Å; N104-A108 PolarHBondContact O-N 2.89Å
105E30.9Very low26.5Very low139 Ų139134.2 Ų134.265%0.6567%0.668SS**Hα-helixtrans-81.7-33.3176-82.2-161.3143.900113A108 N109E105-A108 PolarHBondContact O-N 3.49Å; E105-N109 WeakPolarHBondContact O-CB 3.29Å; E105-N109 PolarHBondContact O-N 3.21Å
106H26.4Very low26.5Very low147 Ų147131 Ų13168%0.68166%0.657SS**Hα-helixtrans-71.1-32.5178.1-103.4-77.3000112.9H110H106-H110 WeakPolarHBondContact O-CB 3.11Å; H106-H110 PolarHBondContact O-N 3.43Å
107L28.4Very low26.5Very low110 Ų110130.5 Ų130.558%0.57665%0.654SS**Hα-helixtrans-76.7-33173.4-164.465.3000112.1H110 N111L107-H110 PolarHBondContact O-N 2.9Å; L107-N111 PolarHBondContact O-N 3.03Å
108A30.8Very low26.5Very low41 Ų41137 Ų13734%0.33967%0.665SS.*Hα-helixtrans-67.2-38.2172.700000112N104 E105 N111 R112N104-A108 VanDerWaalsContact O-CB 3.31Å; N104-A108 WeakPolarHBondContact O-CB 3.48Å; N104-A108 PolarHBondContact O-N 2.89Å; E105-A108 PolarHBondContact O-N 3.49Å; A108-N111 PolarHBondContact O-N 3.11Å; A108-R112 WeakPolarHBondContact O-CB 3.34Å; A108-R112 PolarHBondContact O-N 3.27Å
109N27.8Very low26.3Very low86 Ų86133.7 Ų133.746%0.4666%0.655SS.*Hα-helixtrans-75.5-29.6174.5-81.5-22.3000113.1E105 R112 K113E105-N109 WeakPolarHBondContact O-CB 3.29Å; E105-N109 PolarHBondContact O-N 3.21Å; N109-R112 PolarHBondContact O-N 3.28Å; N109-K113 PolarHBondContact O-N 2.91Å; N109-K113 VanDerWaalsContact O-N 3.16Å
110H27.7Very low26.4Very low111 Ų111128.3 Ų128.351%0.51465%0.649SS.*Hα-helixtrans-64.7-44.2169.3-127.8-84.3000110.7H106 L107 R112 K113 Y114H106-H110 WeakPolarHBondContact O-CB 3.11Å; H106-H110 PolarHBondContact O-N 3.43Å; L107-H110 PolarHBondContact O-N 2.9Å; H110-R112 PolarHBondContact O-N 3.44Å; H110-K113 PolarHBondContact O-N 3.49Å; H110-Y114 AromaticContact CE1-CE2 3.91Å; H110-Y114 AromaticContact ND1-CE2 3.69Å; H110-Y114 WeakPolarHBondContact O-CD2 3.19Å
111N25.8Very low26.4Very low100 Ų100128.4 Ų128.454%0.53565%0.65SS.*Hα-helixtrans-71-30.9177.2-74.1-21.9000113.1L107 A108 Y114 M115L107-N111 PolarHBondContact O-N 3.03Å; A108-N111 PolarHBondContact O-N 3.11Å; N111-Y114 PolarHBondContact O-N 3.28Å; N111-M115 WeakPolarHBondContact O-CB 3.01Å; N111-M115 PolarHBondContact O-N 3.01Å; N111-M115 VanDerWaalsContact O-N 3.11Å
112R25.4Very low26.3Very low175 Ų175124.8 Ų124.866%0.6664%0.641SS**Hα-helixtrans-73.6-27.5178.5-146.1-179.4-71.7177.6-1.3113.1A108 N109 H110 S116A108-R112 WeakPolarHBondContact O-CB 3.34Å; A108-R112 PolarHBondContact O-N 3.27Å; N109-R112 PolarHBondContact O-N 3.28Å; H110-R112 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3Å; R112-S116 VanDerWaalsContact O-OG 3.13Å
113K23.6Very low26.2Very low168 Ų168125.5 Ų125.573%0.7365%0.649SS**Hα-helixtrans-74-23.4172-107.4179.6178.6177.50113.7N109 H110N109-K113 PolarHBondContact O-N 2.91Å; N109-K113 VanDerWaalsContact O-N 3.16Å; H110-K113 PolarHBondContact O-N 3.49Å
114Y26.2Very low25.9Very low178 Ų178130.3 Ų130.370%0.69866%0.662SS**Hα-helixtrans-98-6.8176.7-71-72.3000114.5H110 N111H110-Y114 AromaticContact CE1-CE2 3.91Å; H110-Y114 AromaticContact ND1-CE2 3.69Å; H110-Y114 WeakPolarHBondContact O-CD2 3.19Å; N111-Y114 PolarHBondContact O-N 3.28Å
115M24.1Very low25.9Very low171 Ų171128.3 Ų128.384%0.84266%0.66SS**SBendtrans-98.23.1175.2-139.6154.6173.400113.9N111N111-M115 WeakPolarHBondContact O-CB 3.01Å; N111-M115 PolarHBondContact O-N 3.01Å; N111-M115 VanDerWaalsContact O-N 3.11Å
116S24.9Very low25.7Very low75 Ų75128.2 Ų128.252%0.52467%0.669SS.*SBendtrans-112.87.5179.249.60000115.5R112R112-S116 PolarHBondContact O-OG 3Å; R112-S116 VanDerWaalsContact O-OG 3.13Å
117T23.8Very low25.9Very low115 Ų115124.6 Ų124.671%0.70667%0.671SS**SBendtrans-96.711.9175.1-9.80000114.7
118Y24.5Very low26.2Very low233 Ų233126.4 Ų126.491%0.91468%0.681SS**SBendtrans-100.562.5154.9-93.1-86.2000109.1
119S22.1Very low26.6Very low90 Ų90130.4 Ų130.463%0.62970%0.697SS**SBendtrans-147.594.8166.6-78.70000107.2
120S25.5Very low27.6Very low95 Ų95132.5 Ų132.566%0.66471%0.708SS**  trans42.9101.2151.544.60000116.2V122S120-V122 PolarHBondContact O-N 3.34Å
121D25.3Very low28.4Very low166 Ų166134 Ų13489%0.88872%0.72SS**  trans-58.579.7149.5-68.1-37.8000108.5V123D121-V123 PolarHBondContact O-N 3.35Å
122V23.6Very low29.3Very low104 Ų104133.7 Ų133.763%0.6372%0.718SS**  trans-75.282.9163.1-178.60000105.4S120 H124S120-V122 PolarHBondContact O-N 3.34Å; V122-H124 PolarHBondContact O-N 3.42Å
123V27.1Very low30.7Very low114 Ų114127.7 Ų127.769%0.69170%0.703SS**  trans-66.7103.6165.4176.10000106.5D121 S125D121-V123 PolarHBondContact O-N 3.35Å; V123-S125 PolarHBondContact O-N 3.1Å
124H21.9Very low33Very low176 Ų176122.9 Ų122.982%0.81569%0.691SS**  trans-55106.6159.2-90.4-79000107.9V122V122-H124 PolarHBondContact O-N 3.42Å
125S28.2Very low35.3Very low101 Ų101120.4 Ų120.471%0.70668%0.684SS**  trans-133102.1160.2-770000107.5V123V123-S125 PolarHBondContact O-N 3.1Å
126T27.4Very low37.2Very low137 Ų137117.7 Ų117.784%0.8467%0.667SS**  trans-46.7127.3166.944.80000111.8
127G30.8Very low39.4Very low71 Ų71120.5 Ų120.573%0.73267%0.672SS**SBendtrans82.2109.5143.900000118.1
128N34.2Very low41.7Very low148 Ų148124 Ų12479%0.79167%0.672SS**SBendtrans61.486.7148.9-73.6-9.2000118.6
129N39.6Very low43.8Very low125 Ų125115.8 Ų115.867%0.66864%0.644SS**  trans-179.767.7134.6-91-27.4000111.4N131 N132 S133N129-N131 VanDerWaalsContact C-N 3.34Å; N129-N131 PolarHBondContact O-N 3.29Å; N129-N132 PolarHBondContact O-N 3.08Å; N129-S133 PolarHBondContact O-N 2.89Å
130D47.4Very low46Very low130 Ų130115.5 Ų115.570%0.69564%0.636SS**Hα-helixtrans-69.6-21.3-169.1-66.8-27.7000115.4S133D130-S133 PolarHBondContact O-OG 2.94Å; D130-S133 VanDerWaalsContact O-OG 3.05Å
131N45.6Very low47.9Very low142 Ų142114.2 Ų114.276%0.75963%0.627SS**Hα-helixtrans-80.9-35.6179.7-72-16.4000112.8N129 S134N129-N131 VanDerWaalsContact C-N 3.34Å; N129-N131 PolarHBondContact O-N 3.29Å; N131-S134 PolarHBondContact O-OG 3.41Å
132N43.8Very low49.8Very low93 Ų93110.3 Ų110.350%0.49761%0.605SS.*Hα-helixtrans-72.3-37.7178.1-77.9-14.7000110.9N129 S134 F135 F136N129-N132 PolarHBondContact O-N 3.08Å; N132-S134 PolarHBondContact O-N 3.15Å; N132-F135 PolarHBondContact O-N 3.29Å; N132-F136 HydrophobicContact CB-CD2 4.14Å; N132-F136 HydrophobicContact CB-CE2 4.36Å; N132-F136 WeakPolarHBondContact O-CB 3.33Å; N132-F136 WeakPolarHBondContact O-CD2 3.47Å; N132-F136 PolarHBondContact O-N 2.94Å
133S55.2Low51.7Low50 Ų50109.9 Ų109.935%0.3560%0.599SS.*Hα-helixtrans-61.1-42.9-178.366.60000112.4N129 D130 F136 Q137N129-S133 PolarHBondContact O-N 2.89Å; D130-S133 PolarHBondContact O-OG 2.94Å; D130-S133 VanDerWaalsContact O-OG 3.05Å; S133-F136 PolarHBondContact O-N 2.93Å; S133-Q137 VanDerWaalsContact O-CB 3.27Å; S133-Q137 WeakPolarHBondContact O-CB 3.46Å; S133-Q137 WeakPolarHBondContact O-CG 3.11Å; S133-Q137 PolarHBondContact O-N 3.4Å
134S70.9Confident53.3Low66 Ų66114.5 Ų114.546%0.46260%0.604SS.*Hα-helixtrans-66.8-42.7178.671.30000112.7N131 N132 Q137 R138N131-S134 PolarHBondContact O-OG 3.41Å; N132-S134 PolarHBondContact O-N 3.15Å; S134-Q137 PolarHBondContact O-N 3.29Å; S134-R138 WeakPolarHBondContact O-CB 3.42Å; S134-R138 PolarHBondContact O-N 2.73Å
135F76.4Confident55.2Low126 Ų126111.2 Ų111.255%0.55358%0.584SS**Hα-helixtrans-64.8-47.2175177.9-97.8000111.2N132 Q137 R138 L139N132-F135 PolarHBondContact O-N 3.29Å; F135-Q137 VanDerWaalsContact C-N 3.32Å; F135-Q137 PolarHBondContact O-N 3.21Å; F135-R138 PolarHBondContact O-N 2.86Å; F135-L139 HydrophobicContact CE1-CB 4.45Å; F135-L139 HydrophobicContact CE1-CD2 4Å; F135-L139 WeakPolarHBondContact O-CB 3.4Å; F135-L139 PolarHBondContact O-N 3.37Å
136F63.8Low56.6Low114 Ų114109 Ų10950%0.556%0.562SS.*Hα-helixtrans-62.8-37.3177-88.6-74.3000112.2N132 S133 N140N132-F136 HydrophobicContact CB-CD2 4.14Å; N132-F136 HydrophobicContact CB-CE2 4.36Å; N132-F136 WeakPolarHBondContact O-CB 3.33Å; N132-F136 WeakPolarHBondContact O-CD2 3.47Å; N132-F136 PolarHBondContact O-N 2.94Å; S133-F136 PolarHBondContact O-N 2.93Å; F136-N140 WeakPolarHBondContact O-CB 3.45Å; F136-N140 PolarHBondContact O-N 3.23Å; F136-N140 PolarHBondContact O-ND2 3.22Å
137Q70.3Confident58.1Low135 Ų135112.5 Ų112.563%0.63156%0.56SS**Hα-helixtrans-66.3-44.5174.1-77.1173.45.100111.5S133 S134 F135 N140 S141S133-Q137 VanDerWaalsContact O-CB 3.27Å; S133-Q137 WeakPolarHBondContact O-CB 3.46Å; S133-Q137 WeakPolarHBondContact O-CG 3.11Å; S133-Q137 PolarHBondContact O-N 3.4Å; S134-Q137 PolarHBondContact O-N 3.29Å; F135-Q137 VanDerWaalsContact C-N 3.32Å; F135-Q137 PolarHBondContact O-N 3.21Å; Q137-N140 PolarHBondContact O-N 3.46Å; Q137-S141 WeakPolarHBondContact O-CB 3.28Å; Q137-S141 PolarHBondContact O-N 3.32Å
138R72.6Confident59.6Low187 Ų187110.2 Ų110.271%0.70653%0.532SS*.Hα-helixtrans-64.8-44.2177.4-152.1173.2-168.7-1713.2110.8S134 F135 S141 I142S134-R138 WeakPolarHBondContact O-CB 3.42Å; S134-R138 PolarHBondContact O-N 2.73Å; F135-R138 PolarHBondContact O-N 2.86Å; R138-S141 PolarHBondContact O-N 3.15Å; R138-S141 PolarHBondContact O-OG 3.04Å; R138-I142 VanDerWaalsContact O-CG1 3.27Å; R138-I142 WeakPolarHBondContact O-CG1 3.43Å; R138-I142 PolarHBondContact O-N 3.01Å
139L67.7Low61.4Low61 Ų61106 Ų10632%0.31951%0.507SS..Hα-helixtrans-61.6-47.8174-172.770000111F135 S141 I142 L143F135-L139 HydrophobicContact CE1-CB 4.45Å; F135-L139 HydrophobicContact CE1-CD2 4Å; F135-L139 WeakPolarHBondContact O-CB 3.4Å; F135-L139 PolarHBondContact O-N 3.37Å; L139-S141 VanDerWaalsContact C-N 3.3Å; L139-S141 PolarHBondContact O-N 3.48Å; L139-I142 CarbonylContact O-C 3.58Å; L139-I142 WeakPolarHBondContact O-CB 3.43Å; L139-I142 PolarHBondContact O-N 3.47Å; L139-I142 VanDerWaalsContact O-N 3.12Å; L139-L143 HydrophobicContact CD2-CD1 4.45Å; L139-L143 HydrophobicContact CG-CD1 3.99Å; L139-L143 HydrophobicContact CG-CG 4.36Å; L139-L143 WeakPolarHBondContact O-CB 3.35Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.23Å; L139-L143 PolarHBondContact O-N 3.26Å
140N69.5Low63.3Low84 Ų84100.4 Ų100.445%0.44948%0.479SS..Hα-helixtrans-61.7-36.3176.1-82.7-31.5000112.2F136 Q137 L143 R144F136-N140 WeakPolarHBondContact O-CB 3.45Å; F136-N140 PolarHBondContact O-N 3.23Å; F136-N140 PolarHBondContact O-ND2 3.22Å; Q137-N140 PolarHBondContact O-N 3.46Å; N140-L143 PolarHBondContact O-N 2.89Å; N140-R144 VanDerWaalsContact O-CB 3.27Å; N140-R144 WeakPolarHBondContact O-CB 3.27Å; N140-R144 VanDerWaalsContact O-CG 3.26Å; N140-R144 WeakPolarHBondContact O-CG 3.2Å; N140-R144 PolarHBondContact O-N 3Å
141S65.5Low65.3Low68 Ų6894.4 Ų94.448%0.47645%0.446SS..Hα-helixtrans-66.1-39.3174.580.60000111.9Q137 R138 L139 R145Q137-S141 WeakPolarHBondContact O-CB 3.28Å; Q137-S141 PolarHBondContact O-N 3.32Å; R138-S141 PolarHBondContact O-N 3.15Å; R138-S141 PolarHBondContact O-OG 3.04Å; L139-S141 VanDerWaalsContact C-N 3.3Å; L139-S141 PolarHBondContact O-N 3.48Å; S141-R145 WeakPolarHBondContact O-CB 3.48Å; S141-R145 PolarHBondContact O-N 3.45Å
142I65.3Low67.4Low84 Ų8488.2 Ų88.243%0.43141%0.413SS..Hα-helixtrans-67.5-45175.1-67.9164.6000110.3R138 L139 R145 F146R138-I142 VanDerWaalsContact O-CG1 3.27Å; R138-I142 WeakPolarHBondContact O-CG1 3.43Å; R138-I142 PolarHBondContact O-N 3.01Å; L139-I142 CarbonylContact O-C 3.58Å; L139-I142 WeakPolarHBondContact O-CB 3.43Å; L139-I142 PolarHBondContact O-N 3.47Å; L139-I142 VanDerWaalsContact O-N 3.12Å; I142-R145 WeakPolarHBondContact O-CB 3.46Å; I142-R145 PolarHBondContact O-N 3.49Å; I142-F146 PolarHBondContact O-N 3.02Å
143L63Low69.7Low95 Ų9586.9 Ų86.950%0.49741%0.405SS..Hα-helixtrans-64.3-43.2177.5-71172.5000111.8L139 N140 R145 F146 R147L139-L143 HydrophobicContact CD2-CD1 4.45Å; L139-L143 HydrophobicContact CG-CD1 3.99Å; L139-L143 HydrophobicContact CG-CG 4.36Å; L139-L143 WeakPolarHBondContact O-CB 3.35Å; L139-L143 VanDerWaalsContact O-CG 3.26Å; L139-L143 WeakPolarHBondContact O-CG 3.23Å; L139-L143 PolarHBondContact O-N 3.26Å; N140-L143 PolarHBondContact O-N 2.89Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 3.21Å; L143-F146 PolarHBondContact O-N 2.68Å; L143-F146 VanDerWaalsContact O-N 3.08Å; L143-R147 PolarHBondContact O-N 3.3Å
144R60.1Low71.5Confident211 Ų21187.3 Ų87.380%0.79640%0.399SS*.Hα-helixtrans-61.6-35.6173.1-78.5-177.6-179.2-162.62111.8N140 F146N140-R144 VanDerWaalsContact O-CB 3.27Å; N140-R144 WeakPolarHBondContact O-CB 3.27Å; N140-R144 VanDerWaalsContact O-CG 3.26Å; N140-R144 WeakPolarHBondContact O-CG 3.2Å; N140-R144 PolarHBondContact O-N 3Å; R144-F146 VanDerWaalsContact C-N 3.29Å
145R61.1Low72.6Confident107 Ų10784.1 Ų84.140%0.40438%0.377SS..Hα-helixtrans-68.2-29.1174.6-176.3173.2174.4-170.9-12.2112.6S141 I142 L143 F344 R347S141-R145 WeakPolarHBondContact O-CB 3.48Å; S141-R145 PolarHBondContact O-N 3.45Å; I142-R145 WeakPolarHBondContact O-CB 3.46Å; I142-R145 PolarHBondContact O-N 3.49Å; L143-R145 VanDerWaalsContact C-N 3.26Å; L143-R145 PolarHBondContact O-N 3.21Å; R145-F344 PolarHBondContact NH2-O 3.32Å; R145-R347 VanDerWaalsContact CZ-NH2 3.34Å
146F58.4Low73.5Confident55 Ų5579 Ų7924%0.24136%0.355CS..Hα-helixtrans-82.4-28.6177.7-164.4-100.5000113.4I142 L143 R144 P148 L156 L340 H343 F344I142-F146 PolarHBondContact O-N 3.02Å; L143-F146 PolarHBondContact O-N 2.68Å; L143-F146 VanDerWaalsContact O-N 3.08Å; R144-F146 VanDerWaalsContact C-N 3.29Å; F146-P148 WeakPolarHBondContact O-CD 3.46Å; F146-L156 HydrophobicContact CE1-CD2 4.05Å; F146-L156 HydrophobicContact CZ-CD1 4.34Å; F146-L340 HydrophobicContact CE2-CD2 3.79Å; F146-L340 HydrophobicContact CZ-CD2 3.99Å; F146-H343 HydrophobicContact CE2-CB 4.09Å; F146-F344 HydrophobicContact CB-CE1 4.4Å; F146-F344 HydrophobicContact CD2-CD1 4.41Å; F146-F344 HydrophobicContact CD2-CD2 4.5Å; F146-F344 AromaticContact CD2-CE1 3.84Å; F146-F344 HydrophobicContact CD2-CE1 3.84Å; F146-F344 AromaticContact CD2-CE2 3.93Å; F146-F344 HydrophobicContact CD2-CE2 3.93Å; F146-F344 AromaticContact CD2-CZ 3.57Å; F146-F344 HydrophobicContact CD2-CZ 3.57Å; F146-F344 HydrophobicContact CE2-CE2 4.06Å; F146-F344 HydrophobicContact CE2-CZ 4.13Å
147R58.8Low75Confident210 Ų21076.4 Ų76.479%0.79235%0.35SS*.  trans-51.3103.4-171.6-162.5174.5-176.4170.51.3111L143L143-R147 PolarHBondContact O-N 3.3Å
148P63.4Low76.3Confident24 Ų2470 Ų7016%0.15632%0.32CS..  trans-67.9143.7-178.931.1-38000109.2F146 K152 I153 L156F146-P148 WeakPolarHBondContact O-CD 3.46Å; P148-K152 HydrophobicContact CB-CB 4.15Å; P148-I153 HydrophobicContact CB-CB 4.43Å; P148-I153 HydrophobicContact CB-CD1 4.3Å; P148-I153 HydrophobicContact CG-CD1 3.48Å; P148-I153 VanDerWaalsContact CG-CD1 3.48Å; P148-L156 HydrophobicContact CB-CD2 4.41Å; P148-L156 HydrophobicContact CG-CD2 3.72Å
149F70.3Confident77.5Confident59 Ų5961.1 Ų61.126%0.25929%0.287SS..  trans-135.2149.7-172.7175.2-88.6000109.6S73 R151 K152S73-F149 VanDerWaalsContact C-CE2 3.47Å; S73-F149 VanDerWaalsContact CB-CZ 3.41Å; S73-F149 WeakPolarHBondContact O-CE2 3.22Å; S73-F149 WeakPolarHBondContact O-CZ 3.08Å; S73-F149 VanDerWaalsContact OG-CE1 3.27Å; S73-F149 WeakPolarHBondContact OG-CE1 3.5Å; S73-F149 VanDerWaalsContact OG-CE2 3.28Å; S73-F149 WeakPolarHBondContact OG-CE2 3.43Å; S73-F149 WeakPolarHBondContact OG-CZ 3.43Å; F149-R151 PolarHBondContact O-N 3.44Å; F149-K152 WeakPolarHBondContact O-CB 3.26Å; F149-K152 PolarHBondContact O-N 3.26Å
150G81.1Confident78.8Confident8 Ų862.8 Ų62.88%0.08230%0.295CS..THydrogen-bonded Turntrans49-131.7-179.500000112S70 K152 I153S70-G150 VanDerWaalsContact OG-C 3.31Å; S70-G150 WeakPolarHBondContact OG-CA 3.46Å; G150-K152 PolarHBondContact O-N 3.01Å; G150-K152 VanDerWaalsContact O-N 3.11Å; G150-I153 WeakPolarHBondContact O-CG2 3.47Å; G150-I153 PolarHBondContact O-N 3.03Å; G150-I153 VanDerWaalsContact O-N 3.12Å
151R88.3Confident80.1Confident4 Ų462.1 Ų62.12%0.01529%0.291CS..Hα-helixtrans-60.4-23.1-178.8-58.2-168.6178.7135.7-5.5114.2D67 S70 F149 I153 W154 H155 T205 A208 L209 E212 Q514D67-R151 IonicContact OD1-CZ 3.13Å; D67-R151 VanDerWaalsContact OD1-CZ 3.28Å; D67-R151 IonicContact OD1-NE 2.71Å; D67-R151 PolarHBondContact OD1-NE 3.34Å; D67-R151 VanDerWaalsContact OD1-NE 3.12Å; D67-R151 IonicContact OD1-NH2 2.74Å; D67-R151 PolarHBondContact OD1-NH2 2.97Å; S70-R151 WeakPolarHBondContact OG-CG 3.35Å; S70-R151 PolarHBondContact OG-N 3Å; F149-R151 PolarHBondContact O-N 3.44Å; R151-I153 VanDerWaalsContact C-N 3.3Å; R151-I153 PolarHBondContact O-N 3.38Å; R151-W154 PolarHBondContact O-N 3.33Å; R151-H155 PolarHBondContact O-N 3.39Å; R151-H155 VanDerWaalsContact O-N 3.12Å; R151-T205 HydrophobicContact CB-CG2 4.42Å; R151-A208 PolarHBondContact NH1-O 3.49Å; R151-L209 HydrophobicContact CB-CD2 4.17Å; R151-E212 WeakPolarHBondContact CD-OE1 3.42Å; R151-E212 IonicContact CZ-OE1 3.28Å; R151-E212 IonicContact NE-OE1 3.12Å; R151-E212 PolarHBondContact NE-OE1 3.02Å; R151-E212 VanDerWaalsContact NH1-CD 3.34Å; R151-E212 IonicContact NH1-OE1 3.57Å; R151-E212 PolarHBondContact NH1-OE1 3.26Å; R151-E212 IonicContact NH2-OE1 2.65Å; R151-Q514 PolarHBondContact NH2-O 3.2Å
152K90Very high81.6Confident12 Ų1258.9 Ų58.95%0.05227%0.268CS..Hα-helixtrans-66.9-25.4176.4-69-174.169.9-166.20113.4P148 F149 G150 W154 H155 L156 L209 F342 H343 V346 F351P148-K152 HydrophobicContact CB-CB 4.15Å; F149-K152 WeakPolarHBondContact O-CB 3.26Å; F149-K152 PolarHBondContact O-N 3.26Å; G150-K152 PolarHBondContact O-N 3.01Å; G150-K152 VanDerWaalsContact O-N 3.11Å; K152-W154 VanDerWaalsContact C-N 3.33Å; K152-H155 PolarHBondContact O-N 3.22Å; K152-L156 PolarHBondContact O-N 2.98Å; K152-L209 HydrophobicContact CG-CD1 4.48Å; K152-L209 HydrophobicContact CG-CD2 4.35Å; K152-F342 HydrophobicContact CG-CZ 4.46Å; K152-H343 PolarHBondContact NZ-O 3.17Å; K152-H343 PolarHBondContact O-CE1 3.31Å; K152-V346 PolarHBondContact NZ-O 3.09Å; K152-F351 HydrophobicContact CD-CE2 4.2Å; K152-F351 HydrophobicContact CD-CZ 3.98Å; K152-F351 HydrophobicContact CG-CZ 4.27Å
153I91.2Very high83.1Confident65 Ų6557.3 Ų57.333%0.33326%0.261SS..Hα-helixtrans-65-43.4175.6-170.865.9000110.1P148 G150 R151 L156 C157P148-I153 HydrophobicContact CB-CB 4.43Å; P148-I153 HydrophobicContact CB-CD1 4.3Å; P148-I153 HydrophobicContact CG-CD1 3.48Å; P148-I153 VanDerWaalsContact CG-CD1 3.48Å; G150-I153 WeakPolarHBondContact O-CG2 3.47Å; G150-I153 PolarHBondContact O-N 3.03Å; G150-I153 VanDerWaalsContact O-N 3.12Å; R151-I153 VanDerWaalsContact C-N 3.3Å; R151-I153 PolarHBondContact O-N 3.38Å; I153-L156 PolarHBondContact O-N 3.09Å; I153-C157 WeakPolarHBondContact O-CB 3.45Å; I153-C157 PolarHBondContact O-N 3.27Å; I153-C157 PolarHBondContact O-SG 3.44Å
154W93Very high84.6Confident58 Ų5859.1 Ų59.122%0.2227%0.265CS..Hα-helixtrans-66-39.3178-70.994.7000111.5L65 F69 R151 K152 C157 G158 T205L65-W154 HydrophobicContact CB-CH2 3.79Å; L65-W154 HydrophobicContact CB-CZ2 3.72Å; L65-W154 HydrophobicContact CB-CZ3 4.48Å; L65-W154 HydrophobicContact CD1-CH2 3.79Å; L65-W154 HydrophobicContact CD1-CZ2 4.5Å; L65-W154 HydrophobicContact CD1-CZ3 4.38Å; L65-W154 HydrophobicContact CG-CH2 4.41Å; F69-W154 AromaticContact CD2-CZ2 3.59Å; F69-W154 HydrophobicContact CD2-CZ2 3.59Å; F69-W154 AromaticContact CD2-NE1 3.82Å; F69-W154 AromaticContact CE2-CZ2 3.8Å; F69-W154 HydrophobicContact CE2-CZ2 3.8Å; R151-W154 PolarHBondContact O-N 3.33Å; K152-W154 VanDerWaalsContact C-N 3.33Å; W154-C157 PolarHBondContact O-N 3.02Å; W154-G158 PolarHBondContact O-N 3.4Å; W154-T205 HydrophobicContact CB-CG2 3.46Å; W154-T205 VanDerWaalsContact CB-CG2 3.46Å; W154-T205 HydrophobicContact CG-CG2 4.44Å
155H95.2Very high86.2Confident0 Ų049.1 Ų49.10%023%0.227CC..Hα-helixtrans-58-47.5170.4-172.3-78.1000112.2G14 R151 K152 G158 S159 V202 T205 H206 F342 H343G14-H155 PolarHBondContact O-CE1 2.97Å; G14-H155 PolarHBondContact O-NE2 3.2Å; R151-H155 PolarHBondContact O-N 3.39Å; R151-H155 VanDerWaalsContact O-N 3.12Å; K152-H155 PolarHBondContact O-N 3.22Å; H155-G158 PolarHBondContact O-N 3.49Å; H155-S159 WeakPolarHBondContact O-CB 3.47Å; H155-S159 PolarHBondContact O-N 3.39Å; H155-S159 PolarHBondContact O-OG 3.22Å; H155-V202 WeakPolarHBondContact O-CG2 3.47Å; H155-T205 WeakPolarHBondContact CB-OG1 3.26Å; H155-H206 AromaticContact NE2-CD2 3.91Å; H155-F342 AromaticContact CD2-CE1 3.97Å; H155-F342 AromaticContact CE1-CD1 3.61Å; H155-F342 AromaticContact CE1-CE1 3.51Å; H155-F342 AromaticContact CG-CE1 3.78Å; H155-F342 AromaticContact ND1-CD1 3.89Å; H155-F342 AromaticContact ND1-CE1 3.48Å; H155-F342 WeakPolarHBondContact ND1-CE1 3.41Å; H155-F342 AromaticContact NE2-CE1 3.77Å; H155-H343 AromaticContact ND1-NE2 3.17Å; H155-H343 PolarHBondContact ND1-NE2 3.48Å; H155-H343 VanDerWaalsContact ND1-NE2 3.17Å
156L95.2Very high87.8Confident19 Ų1944 Ų4410%0.09921%0.208CC..Hα-helixtrans-65.2-47.5179.6-174.264000111.3F146 P148 K152 I153 G158 S159 I160 M339F146-L156 HydrophobicContact CE1-CD2 4.05Å; F146-L156 HydrophobicContact CZ-CD1 4.34Å; P148-L156 HydrophobicContact CB-CD2 4.41Å; P148-L156 HydrophobicContact CG-CD2 3.72Å; K152-L156 PolarHBondContact O-N 2.98Å; I153-L156 PolarHBondContact O-N 3.09Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.17Å; L156-S159 WeakPolarHBondContact O-CB 3.28Å; L156-S159 PolarHBondContact O-N 3.34Å; L156-I160 HydrophobicContact CD1-CD1 4.44Å; L156-I160 HydrophobicContact CG-CD1 3.98Å; L156-I160 WeakPolarHBondContact O-CG1 3.29Å; L156-I160 PolarHBondContact O-N 3.47Å; L156-M339 HydrophobicContact CD1-CE 4.37Å; L156-M339 HydrophobicContact CD1-SD 3.83Å
157C94.9Very high89.4Confident59 Ų5942.4 Ų42.440%0.39920%0.203SC..Hα-helixtrans-57.2-47177.1-700000110.8I153 W154 S159 I160 L161I153-C157 WeakPolarHBondContact O-CB 3.45Å; I153-C157 PolarHBondContact O-N 3.27Å; I153-C157 PolarHBondContact O-SG 3.44Å; W154-C157 PolarHBondContact O-N 3.02Å; C157-S159 VanDerWaalsContact C-N 3.34Å; C157-S159 PolarHBondContact O-N 2.96Å; C157-I160 PolarHBondContact O-N 3.49Å; C157-L161 WeakPolarHBondContact O-CG 3.38Å; C157-L161 PolarHBondContact O-N 2.93Å
158G97.3Very high90.9Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-59.3-44175.300000113W154 H155 L156 I160 L161 I162 G198W154-G158 PolarHBondContact O-N 3.4Å; H155-G158 PolarHBondContact O-N 3.49Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-G158 PolarHBondContact O-N 3.17Å; G158-I160 VanDerWaalsContact C-N 3.34Å; G158-I160 PolarHBondContact O-N 2.91Å; G158-L161 WeakPolarHBondContact O-CB 3.49Å; G158-L161 PolarHBondContact O-N 2.97Å; G158-I162 WeakPolarHBondContact O-CG1 3.37Å; G158-I162 PolarHBondContact O-N 3.32Å; G158-G198 WeakPolarHBondContact CA-O 3.27Å
159S97.4Very high92.3Very high1 Ų134 Ų341%0.00717%0.172CC..Hα-helixtrans-61.6-41.3177.3-58.10000111.9H155 L156 C157 I162 I163 V202 M339H155-S159 WeakPolarHBondContact O-CB 3.47Å; H155-S159 PolarHBondContact O-N 3.39Å; H155-S159 PolarHBondContact O-OG 3.22Å; L156-S159 WeakPolarHBondContact O-CB 3.28Å; L156-S159 PolarHBondContact O-N 3.34Å; C157-S159 VanDerWaalsContact C-N 3.34Å; C157-S159 PolarHBondContact O-N 2.96Å; S159-I162 PolarHBondContact O-N 3.49Å; S159-I163 WeakPolarHBondContact O-CB 3.47Å; S159-I163 WeakPolarHBondContact O-CG1 3.33Å; S159-I163 PolarHBondContact O-N 3.16Å; S159-V202 WeakPolarHBondContact OG-CG2 3.46Å; S159-M339 WeakPolarHBondContact OG-CG 3.38Å
160I96.4Very high93.1Very high95 Ų9531.2 Ų31.249%0.48716%0.16SC..Hα-helixtrans-63.6-43.9176.2-68.8166.1000110.6L156 C157 G158 I162 I163 F164L156-I160 HydrophobicContact CD1-CD1 4.44Å; L156-I160 HydrophobicContact CG-CD1 3.98Å; L156-I160 WeakPolarHBondContact O-CG1 3.29Å; L156-I160 PolarHBondContact O-N 3.47Å; C157-I160 PolarHBondContact O-N 3.49Å; G158-I160 VanDerWaalsContact C-N 3.34Å; G158-I160 PolarHBondContact O-N 2.91Å; I160-I162 VanDerWaalsContact C-N 3.31Å; I160-I162 PolarHBondContact O-N 3.09Å; I160-I163 PolarHBondContact O-N 3.23Å; I160-F164 WeakPolarHBondContact O-CB 3.47Å; I160-F164 PolarHBondContact O-N 3.21Å
161L96.9Very high93.1Very high70 Ų7031.2 Ų31.237%0.36616%0.16SC..Hα-helixtrans-59.2-42.8176.2-67.2178.8000111.4C157 G158 S165 I194C157-L161 WeakPolarHBondContact O-CG 3.38Å; C157-L161 PolarHBondContact O-N 2.93Å; G158-L161 WeakPolarHBondContact O-CB 3.49Å; G158-L161 PolarHBondContact O-N 2.97Å; L161-S165 VanDerWaalsContact O-CB 3.28Å; L161-S165 WeakPolarHBondContact O-CB 3.39Å; L161-S165 PolarHBondContact O-N 3.07Å; L161-S165 PolarHBondContact O-OG 3.43Å; L161-I194 HydrophobicContact CB-CG2 4.13Å; L161-I194 HydrophobicContact CD2-CG2 3.97Å; L161-I194 HydrophobicContact CG-CG2 4.48Å
162I97.2Very high92.4Very high0 Ų034.2 Ų34.20%018%0.18CC..Hα-helixtrans-65.2-50.2177-66.5168.3000111.1L17 N18 G158 S159 I160 F164 S165 F166 F195 V202 I332L17-I162 HydrophobicContact CD1-CG2 4.23Å; L17-I162 HydrophobicContact CD2-CB 4.49Å; L17-I162 HydrophobicContact CD2-CG2 4.33Å; L17-I162 HydrophobicContact CG-CG2 4.16Å; N18-I162 WeakPolarHBondContact OD1-CD1 3.32Å; G158-I162 WeakPolarHBondContact O-CG1 3.37Å; G158-I162 PolarHBondContact O-N 3.32Å; S159-I162 PolarHBondContact O-N 3.49Å; I160-I162 VanDerWaalsContact C-N 3.31Å; I160-I162 PolarHBondContact O-N 3.09Å; I162-F164 PolarHBondContact O-N 3.49Å; I162-S165 PolarHBondContact O-N 3.44Å; I162-F166 HydrophobicContact CG2-CB 4.32Å; I162-F166 WeakPolarHBondContact O-CB 3.36Å; I162-F166 PolarHBondContact O-N 2.99Å; I162-F195 HydrophobicContact CG1-CD2 4.16Å; I162-F195 HydrophobicContact CG1-CE2 4.33Å; I162-F195 HydrophobicContact CG2-CD2 4.21Å; I162-F195 HydrophobicContact CG2-CE2 4.04Å; I162-V202 HydrophobicContact CD1-CG2 4.05Å; I162-I332 HydrophobicContact CG2-CD1 4.37Å
163I96Very high91.4Very high52 Ų5234.1 Ų34.127%0.26718%0.18SC..Hα-helixtrans-56.7-38.3-179.9-72.8168.4000111.1L17 S159 I160 P167 I332 M339L17-I163 HydrophobicContact CD1-CG1 4.44Å; L17-I163 HydrophobicContact CD2-CD1 4.27Å; L17-I163 HydrophobicContact CD2-CG1 4.07Å; S159-I163 WeakPolarHBondContact O-CB 3.47Å; S159-I163 WeakPolarHBondContact O-CG1 3.33Å; S159-I163 PolarHBondContact O-N 3.16Å; I160-I163 PolarHBondContact O-N 3.23Å; I163-P167 VanDerWaalsContact O-CD 3.23Å; I163-P167 WeakPolarHBondContact O-CD 3.08Å; I163-I332 HydrophobicContact CB-CG2 4.34Å; I163-I332 HydrophobicContact CG1-CD1 4.36Å; I163-I332 HydrophobicContact CG1-CG2 4.19Å; I163-I332 HydrophobicContact CG2-CG2 3.85Å; I163-M339 HydrophobicContact CD1-CE 3.66Å
164F93.7Very high90.2Very high133 Ų13338 Ų3858%0.58320%0.201SC*.Hα-helixtrans-75.8-47.7178.4-180-100.9000112.9I160 I162 L168I160-F164 WeakPolarHBondContact O-CB 3.47Å; I160-F164 PolarHBondContact O-N 3.21Å; I162-F164 PolarHBondContact O-N 3.49Å; F164-L168 HydrophobicContact CD1-CD1 4.45Å; F164-L168 HydrophobicContact CE1-CD1 4.07Å; F164-L168 HydrophobicContact CZ-CD1 4.14Å; F164-L168 WeakPolarHBondContact O-CD1 3.33Å; F164-L168 WeakPolarHBondContact O-CG 3.34Å
165S95Very high88.5Confident0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-81.2-35.6-171.756.80000114L161 I162 L168 I169 F195L161-S165 VanDerWaalsContact O-CB 3.28Å; L161-S165 WeakPolarHBondContact O-CB 3.39Å; L161-S165 PolarHBondContact O-N 3.07Å; L161-S165 PolarHBondContact O-OG 3.43Å; I162-S165 PolarHBondContact O-N 3.44Å; S165-L168 WeakPolarHBondContact O-CB 3.34Å; S165-L168 PolarHBondContact O-N 3.32Å; S165-L168 VanDerWaalsContact O-N 3.16Å; S165-I169 PolarHBondContact O-N 2.97Å; S165-I169 VanDerWaalsContact O-N 3.16Å; S165-F195 VanDerWaalsContact OG-CA 3.29Å; S165-F195 WeakPolarHBondContact OG-CA 3.34Å; S165-F195 WeakPolarHBondContact OG-CB 3.35Å
166F94.1Very high86.9Confident0 Ų041.9 Ų41.90%025%0.246CC..Hα-helixtrans-65.5-45-169.2-170-98000114.1C21 V24 I162 L168 I169 F170 F195 I331 I332C21-F166 HydrophobicContact CB-CD2 3.96Å; C21-F166 HydrophobicContact CB-CE2 3.64Å; C21-F166 HydrophobicContact CB-CZ 3.98Å; V24-F166 HydrophobicContact CB-CZ 3.98Å; V24-F166 HydrophobicContact CG1-CZ 3.92Å; I162-F166 HydrophobicContact CG2-CB 4.32Å; I162-F166 WeakPolarHBondContact O-CB 3.36Å; I162-F166 PolarHBondContact O-N 2.99Å; F166-L168 PolarHBondContact O-N 3.22Å; F166-I169 WeakPolarHBondContact O-CB 3.26Å; F166-I169 PolarHBondContact O-N 3.45Å; F166-I169 VanDerWaalsContact O-N 3.16Å; F166-F170 HydrophobicContact CD2-CE2 4.44Å; F166-F170 HydrophobicContact CE1-CD2 4.12Å; F166-F170 HydrophobicContact CE1-CE2 4.23Å; F166-F170 HydrophobicContact CE2-CD2 4.29Å; F166-F170 AromaticContact CE2-CE2 3.75Å; F166-F170 HydrophobicContact CE2-CE2 3.75Å; F166-F170 AromaticContact CZ-CD2 3.98Å; F166-F170 HydrophobicContact CZ-CD2 3.98Å; F166-F170 AromaticContact CZ-CE2 3.61Å; F166-F170 HydrophobicContact CZ-CE2 3.61Å; F166-F170 PolarHBondContact O-N 3.13Å; F166-F195 HydrophobicContact CB-CD2 4.25Å; F166-F195 HydrophobicContact CB-CE2 4.43Å; F166-F195 AromaticContact CD2-CD2 3.8Å; F166-F195 HydrophobicContact CD2-CD2 3.8Å; F166-F195 HydrophobicContact CD2-CE1 4.41Å; F166-F195 AromaticContact CD2-CE2 3.37Å; F166-F195 HydrophobicContact CD2-CE2 3.37Å; F166-F195 HydrophobicContact CD2-CG 4.48Å; F166-F195 AromaticContact CD2-CZ 3.72Å; F166-F195 HydrophobicContact CD2-CZ 3.72Å; F166-F195 AromaticContact CE2-CE2 3.99Å; F166-F195 HydrophobicContact CE2-CE2 3.99Å; F166-F195 AromaticContact CE2-CZ 3.88Å; F166-F195 HydrophobicContact CE2-CZ 3.88Å; F166-F195 HydrophobicContact CG-CE2 4.28Å; F166-I331 HydrophobicContact CE1-CD1 4.49Å; F166-I331 HydrophobicContact CE1-CG2 4.17Å; F166-I332 HydrophobicContact CB-CD1 4.16Å; F166-I332 HydrophobicContact CD1-CD1 4.2Å; F166-I332 HydrophobicContact CD1-CG1 4.32Å
167P91.3Very high85.3Confident21 Ų2144.3 Ų44.314%0.13626%0.264CS..Hα-helixtrans-62-30.9174.2-23.636000113.2I163 I169 F170 G171 F329 I332I163-P167 VanDerWaalsContact O-CD 3.23Å; I163-P167 WeakPolarHBondContact O-CD 3.08Å; P167-I169 VanDerWaalsContact C-N 3.31Å; P167-F170 PolarHBondContact O-N 3.47Å; P167-G171 PolarHBondContact O-N 2.85Å; P167-F329 HydrophobicContact CB-CD1 4.47Å; P167-F329 HydrophobicContact CB-CE1 4.1Å; P167-I332 HydrophobicContact CG-CB 4.5Å; P167-I332 HydrophobicContact CG-CG1 3.7Å
168L91.2Very high84Confident57 Ų5747.9 Ų47.930%0.29828%0.28SS..Hα-helixtrans-72-26.6178.3-60174.6000112.2F164 S165 F166 L191F164-L168 HydrophobicContact CD1-CD1 4.45Å; F164-L168 HydrophobicContact CE1-CD1 4.07Å; F164-L168 HydrophobicContact CZ-CD1 4.14Å; F164-L168 WeakPolarHBondContact O-CD1 3.33Å; F164-L168 WeakPolarHBondContact O-CG 3.34Å; S165-L168 WeakPolarHBondContact O-CB 3.34Å; S165-L168 PolarHBondContact O-N 3.32Å; S165-L168 VanDerWaalsContact O-N 3.16Å; F166-L168 PolarHBondContact O-N 3.22Å; L168-L191 HydrophobicContact CB-CD1 3.8Å; L168-L191 HydrophobicContact CB-CD2 4.05Å; L168-L191 HydrophobicContact CD1-CD2 3.84Å
169I91.7Very high82.9Confident0 Ų050.5 Ų50.50%029%0.293CS..Hα-helixtrans-68.7-41.8174.1-67.5168.5000110.9F32 F33 S165 F166 P167 G171 Y188 L191 V192 F195F32-I169 WeakPolarHBondContact CE1-O 3.3Å; F33-I169 HydrophobicContact CZ-CG2 4.03Å; S165-I169 PolarHBondContact O-N 2.97Å; S165-I169 VanDerWaalsContact O-N 3.16Å; F166-I169 WeakPolarHBondContact O-CB 3.26Å; F166-I169 PolarHBondContact O-N 3.45Å; F166-I169 VanDerWaalsContact O-N 3.16Å; P167-I169 VanDerWaalsContact C-N 3.31Å; I169-G171 VanDerWaalsContact C-N 3.32Å; I169-Y188 VanDerWaalsContact O-CE1 3.26Å; I169-Y188 WeakPolarHBondContact O-CE1 3.28Å; I169-L191 HydrophobicContact CG1-CB 4.06Å; I169-V192 HydrophobicContact CD1-CG2 4Å; I169-V192 HydrophobicContact CG1-CG2 4.23Å; I169-F195 HydrophobicContact CD1-CB 3.65Å; I169-F195 HydrophobicContact CD1-CD1 4.03Å; I169-F195 HydrophobicContact CD1-CG 3.86Å
170F87.5Confident82.4Confident1 Ų154 Ų540%0.00432%0.318CS..THydrogen-bonded Turntrans-93.514.7-178.8-71.1-80.8000113.7V24 F32 F166 P167 F324 Q325V24-F170 HydrophobicContact CG1-CD2 4.33Å; V24-F170 HydrophobicContact CG1-CE1 3.85Å; V24-F170 HydrophobicContact CG1-CE2 3.64Å; V24-F170 HydrophobicContact CG1-CZ 3.38Å; F32-F170 HydrophobicContact CB-CD1 4.28Å; F32-F170 HydrophobicContact CB-CE1 4.05Å; F32-F170 HydrophobicContact CD1-CD1 4.06Å; F32-F170 HydrophobicContact CD1-CE1 4.31Å; F32-F170 AromaticContact CD2-CD1 4Å; F32-F170 HydrophobicContact CD2-CD1 4Å; F32-F170 HydrophobicContact CE1-CD1 4.41Å; F32-F170 HydrophobicContact CE2-CD1 4.34Å; F32-F170 AromaticContact CG-CD1 3.84Å; F32-F170 HydrophobicContact CG-CD1 3.84Å; F32-F170 HydrophobicContact CG-CE1 4.07Å; F166-F170 HydrophobicContact CD2-CE2 4.44Å; F166-F170 HydrophobicContact CE1-CD2 4.12Å; F166-F170 HydrophobicContact CE1-CE2 4.23Å; F166-F170 HydrophobicContact CE2-CD2 4.29Å; F166-F170 AromaticContact CE2-CE2 3.75Å; F166-F170 HydrophobicContact CE2-CE2 3.75Å; F166-F170 AromaticContact CZ-CD2 3.98Å; F166-F170 HydrophobicContact CZ-CD2 3.98Å; F166-F170 AromaticContact CZ-CE2 3.61Å; F166-F170 HydrophobicContact CZ-CE2 3.61Å; F166-F170 PolarHBondContact O-N 3.13Å; P167-F170 PolarHBondContact O-N 3.47Å; F170-F324 HydrophobicContact CB-CB 4.39Å; F170-F324 HydrophobicContact CD1-CB 4.17Å; F170-F324 AromaticContact CD1-CD1 3.89Å; F170-F324 HydrophobicContact CD1-CD1 3.89Å; F170-F324 HydrophobicContact CD1-CG 4.35Å; F170-F324 HydrophobicContact CE1-CD1 4.16Å; F170-Q325 WeakPolarHBondContact O-CG 3.42Å
171G80.9Confident81.9Confident8 Ų852.1 Ų52.18%0.08231%0.31CS..SBendtrans-96.1167.8170.400000112.6P167 I169 Y188P167-G171 PolarHBondContact O-N 2.85Å; I169-G171 VanDerWaalsContact C-N 3.32Å; G171-Y188 PolarHBondContact O-OH 3.43Å
172P73.5Confident81.5Confident67 Ų6754.5 Ų54.544%0.43532%0.323SS..PPolyproline II helixtrans-67.3152.3166.95.217.6000107.2L174P172-L174 PolarHBondContact O-N 3.32Å
173P70.3Confident81.1Confident10 Ų1056.4 Ų56.47%0.06534%0.338CS..PPolyproline II helixtrans-56.9146.917127.3-33.8000109.3G175 Y187 Y188P173-G175 PolarHBondContact O-N 2.99Å; P173-Y187 HydrophobicContact CB-CD1 4.04Å; P173-Y187 HydrophobicContact CB-CE1 4.35Å; P173-Y187 HydrophobicContact CB-CG 4.27Å; P173-Y188 WeakPolarHBondContact CD-OH 3.18Å
174L65.1Low80.8Confident148 Ų14854.7 Ų54.778%0.77533%0.329SS*.SBendtrans-57.8102.2173.1-71.9169.5000108.7P172 Y187P172-L174 PolarHBondContact O-N 3.32Å; L174-Y187 HydrophobicContact CB-CE2 4.16Å; L174-Y187 HydrophobicContact CD1-CE2 3.99Å; L174-Y187 HydrophobicContact CG-CE2 3.92Å
175G58.8Low80.7Confident58 Ų5849 Ų4960%0.59830%0.304SS*.SBendtrans127.1-170.8-176.500000114.5P173P173-G175 PolarHBondContact O-N 2.99Å
176S61.2Low80.5Confident81 Ų8154.4 Ų54.457%0.56633%0.332SS*.  trans-64.2144.2-176.9178.40000112.5N178 I179S176-N178 PolarHBondContact O-N 3.11Å; S176-I179 WeakPolarHBondContact O-CD1 3.48Å; S176-I179 WeakPolarHBondContact O-CG1 3.47Å; S176-I179 PolarHBondContact O-N 3.26Å
177S61.1Low80.4Confident69 Ų6956.8 Ų56.848%0.48334%0.342SS..THydrogen-bonded Turntrans-59.9-19.2177.257.50000114.2K184S177-K184 PolarHBondContact O-NZ 2.86Å
178N66.9Low80.4Confident134 Ų13455.8 Ų55.872%0.71734%0.335SS*.THydrogen-bonded Turntrans-96.628.7-176-72.4-1.1000113.7S176S176-N178 PolarHBondContact O-N 3.11Å
179I74.9Confident80.6Confident56 Ų5655.3 Ų55.329%0.28733%0.333SS..  trans-71.5150.7172.5-70.4162.3000110.9S176 A183 K184S176-I179 WeakPolarHBondContact O-CD1 3.48Å; S176-I179 WeakPolarHBondContact O-CG1 3.47Å; S176-I179 PolarHBondContact O-N 3.26Å; I179-A183 HydrophobicContact CG2-CB 3.23Å; I179-K184 WeakPolarHBondContact O-CE 3.45Å
180S86.7Confident80.7Confident74 Ų7458.6 Ų58.652%0.51735%0.354SS..  trans-54.7147175.772.90000112L182 A183 K184S180-L182 PolarHBondContact O-N 3.14Å; S180-A183 PolarHBondContact O-N 3.18Å; S180-A183 VanDerWaalsContact O-N 3.08Å; S180-A183 WeakPolarHBondContact OG-CB 3.16Å; S180-A183 PolarHBondContact OG-N 2.87Å; S180-K184 PolarHBondContact O-N 3.47Å; S180-K184 VanDerWaalsContact O-N 3.11Å
181T86.5Confident81.1Confident55 Ų5559.5 Ų59.534%0.33736%0.359SS..Hα-helixtrans-53.1-42177.1-57.30000111.8P40 M43 A183 K184 M185P40-T181 VanDerWaalsContact CD-CG2 3.42Å; P40-T181 HydrophobicContact CG-CG2 3.9Å; M43-T181 HydrophobicContact CG-CG2 4.28Å; T181-A183 VanDerWaalsContact C-N 3.35Å; T181-A183 PolarHBondContact O-N 2.98Å; T181-K184 WeakPolarHBondContact O-CB 3.4Å; T181-K184 PolarHBondContact O-N 2.93Å; T181-M185 WeakPolarHBondContact O-CG 3.43Å; T181-M185 PolarHBondContact O-N 3.39Å
182L87.9Confident81.7Confident121 Ų12159.1 Ų59.163%0.63436%0.355SS*.Hα-helixtrans-60.7-42.5179.1-177.864.7000112.2S180 K184 M185 I186S180-L182 PolarHBondContact O-N 3.14Å; L182-K184 VanDerWaalsContact C-N 3.34Å; L182-M185 WeakPolarHBondContact O-CB 3.37Å; L182-M185 PolarHBondContact O-N 3.35Å; L182-M185 VanDerWaalsContact O-N 3.12Å; L182-I186 HydrophobicContact CG-CD1 4.05Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.31Å
183A88.8Confident82.8Confident39 Ų3957.2 Ų57.232%0.32235%0.345SS..Hα-helixtrans-69.5-32.6178.300000112.2I179 S180 T181 M185 I186 Y187I179-A183 HydrophobicContact CG2-CB 3.23Å; S180-A183 PolarHBondContact O-N 3.18Å; S180-A183 VanDerWaalsContact O-N 3.08Å; S180-A183 WeakPolarHBondContact OG-CB 3.16Å; S180-A183 PolarHBondContact OG-N 2.87Å; T181-A183 VanDerWaalsContact C-N 3.35Å; T181-A183 PolarHBondContact O-N 2.98Å; A183-M185 VanDerWaalsContact C-N 3.31Å; A183-M185 PolarHBondContact O-N 2.91Å; A183-I186 PolarHBondContact O-N 3Å; A183-Y187 WeakPolarHBondContact O-CB 3.38Å; A183-Y187 PolarHBondContact O-N 3.31Å
184K90Very high84.1Confident17 Ų1759.8 Ų59.87%0.07436%0.358CS..Hα-helixtrans-59.9-42.2167.5-63.3175.1177.8-177.60111.2I37 I39 S177 I179 S180 T181 L182 Y187 Y188I37-K184 HydrophobicContact CG2-CD 3.9Å; I37-K184 PolarHBondContact O-NZ 3.15Å; I39-K184 HydrophobicContact CD1-CB 4.1Å; I39-K184 HydrophobicContact CG1-CB 4.21Å; I39-K184 HydrophobicContact CG1-CD 3.96Å; S177-K184 PolarHBondContact O-NZ 2.86Å; I179-K184 WeakPolarHBondContact O-CE 3.45Å; S180-K184 PolarHBondContact O-N 3.47Å; S180-K184 VanDerWaalsContact O-N 3.11Å; T181-K184 WeakPolarHBondContact O-CB 3.4Å; T181-K184 PolarHBondContact O-N 2.93Å; L182-K184 VanDerWaalsContact C-N 3.34Å; K184-Y187 PolarHBondContact O-N 3.06Å; K184-Y188 HydrophobicContact CB-CD2 4.47Å; K184-Y188 WeakPolarHBondContact O-CD2 3.45Å; K184-Y188 PolarHBondContact O-N 2.94Å
185M91.3Very high85.5Confident12 Ų1252.8 Ų52.86%0.05932%0.321CS..Hα-helixtrans-63.9-46.1176.7-62.7-60.9-73.800112.4I39 M43 L46 I47 T181 L182 A183 Y187 Y188 L189I39-M185 HydrophobicContact CG2-SD 4.26Å; M43-M185 HydrophobicContact CB-CE 4.11Å; M43-M185 HydrophobicContact CB-SD 3.76Å; M43-M185 HydrophobicContact SD-CE 4.06Å; L46-M185 HydrophobicContact CB-CE 4.37Å; L46-M185 HydrophobicContact CD2-CE 3.84Å; L46-M185 HydrophobicContact CG-CE 4.34Å; I47-M185 HydrophobicContact CD1-CE 4.34Å; I47-M185 HydrophobicContact CD1-SD 3.73Å; I47-M185 HydrophobicContact CG1-CE 3.73Å; I47-M185 HydrophobicContact CG1-SD 3.81Å; T181-M185 WeakPolarHBondContact O-CG 3.43Å; T181-M185 PolarHBondContact O-N 3.39Å; L182-M185 WeakPolarHBondContact O-CB 3.37Å; L182-M185 PolarHBondContact O-N 3.35Å; L182-M185 VanDerWaalsContact O-N 3.12Å; A183-M185 VanDerWaalsContact C-N 3.31Å; A183-M185 PolarHBondContact O-N 2.91Å; M185-Y187 PolarHBondContact O-N 3.1Å; M185-Y188 PolarHBondContact O-N 3.36Å; M185-L189 HydrophobicContact CB-CD1 4.29Å; M185-L189 HydrophobicContact CE-CD1 4.17Å; M185-L189 HydrophobicContact CE-CD2 4.46Å; M185-L189 HydrophobicContact CE-CG 4.35Å; M185-L189 VanDerWaalsContact O-CB 3.29Å; M185-L189 WeakPolarHBondContact O-CB 3.15Å; M185-L189 VanDerWaalsContact O-CG 3.29Å; M185-L189 WeakPolarHBondContact O-CG 3.25Å; M185-L189 PolarHBondContact O-N 2.61Å
186I90.7Very high87.3Confident115 Ų11550.1 Ų50.159%0.5929%0.293SS*.Hα-helixtrans-60.5-32.4177.6-68.3167.7000111.1L182 A183 P190L182-I186 HydrophobicContact CG-CD1 4.05Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.31Å; A183-I186 PolarHBondContact O-N 3Å; I186-P190 WeakPolarHBondContact O-CD 3.47Å; I186-P190 WeakPolarHBondContact O-CG 3.22Å
187Y91.2Very high89Confident50 Ų5047.3 Ų47.320%0.19627%0.274CS..Hα-helixtrans-73.6-52.6175.3-178.6-97.8000112.9P173 L174 A183 K184 M185 L191P173-Y187 HydrophobicContact CB-CD1 4.04Å; P173-Y187 HydrophobicContact CB-CE1 4.35Å; P173-Y187 HydrophobicContact CB-CG 4.27Å; L174-Y187 HydrophobicContact CB-CE2 4.16Å; L174-Y187 HydrophobicContact CD1-CE2 3.99Å; L174-Y187 HydrophobicContact CG-CE2 3.92Å; A183-Y187 WeakPolarHBondContact O-CB 3.38Å; A183-Y187 PolarHBondContact O-N 3.31Å; K184-Y187 PolarHBondContact O-N 3.06Å; M185-Y187 PolarHBondContact O-N 3.1Å; Y187-L191 HydrophobicContact CD1-CD1 4Å; Y187-L191 HydrophobicContact CE1-CD1 3.5Å; Y187-L191 VanDerWaalsContact CE1-CD1 3.5Å; Y187-L191 HydrophobicContact CE2-CD1 4.26Å; Y187-L191 WeakPolarHBondContact O-CG 3.48Å
188Y93.3Very high90.7Very high0 Ų044 Ų440%025%0.251CS..Hα-helixtrans-79.5-32.4-171.4-72.5-66000114.3F33 I37 I39 I169 G171 P173 K184 M185 L191 V192F33-Y188 HydrophobicContact CD1-CD2 4.46Å; F33-Y188 HydrophobicContact CD1-CE2 4.48Å; F33-Y188 AromaticContact CE1-CD1 3.61Å; F33-Y188 HydrophobicContact CE1-CD1 3.61Å; F33-Y188 AromaticContact CE1-CD2 3.97Å; F33-Y188 HydrophobicContact CE1-CD2 3.97Å; F33-Y188 AromaticContact CE1-CE1 3.8Å; F33-Y188 HydrophobicContact CE1-CE1 3.8Å; F33-Y188 HydrophobicContact CE1-CE2 4.16Å; F33-Y188 AromaticContact CE1-CG 3.71Å; F33-Y188 HydrophobicContact CE1-CG 3.71Å; F33-Y188 HydrophobicContact CZ-CD1 4.05Å; F33-Y188 HydrophobicContact CZ-CG 4.15Å; I37-Y188 WeakPolarHBondContact CD1-OH 3.36Å; I37-Y188 HydrophobicContact CG2-CE2 4.04Å; I39-Y188 HydrophobicContact CD1-CD2 3.89Å; I39-Y188 HydrophobicContact CD1-CE2 4.16Å; I169-Y188 VanDerWaalsContact O-CE1 3.26Å; I169-Y188 WeakPolarHBondContact O-CE1 3.28Å; G171-Y188 PolarHBondContact O-OH 3.43Å; P173-Y188 WeakPolarHBondContact CD-OH 3.18Å; K184-Y188 HydrophobicContact CB-CD2 4.47Å; K184-Y188 WeakPolarHBondContact O-CD2 3.45Å; K184-Y188 PolarHBondContact O-N 2.94Å; M185-Y188 PolarHBondContact O-N 3.36Å; Y188-L191 PolarHBondContact O-N 3.34Å; Y188-V192 WeakPolarHBondContact O-CB 3.36Å; Y188-V192 WeakPolarHBondContact O-CG2 3.5Å; Y188-V192 PolarHBondContact O-N 3.18Å
189L94.1Very high92.1Very high46 Ų4638.1 Ų38.124%0.24122%0.219CC..Hα-helixtrans-60.5-48-176.3-75.3172000113.2I47 V50 M185 L191 V192 A193I47-L189 HydrophobicContact CB-CD2 4.48Å; I47-L189 HydrophobicContact CG1-CD2 4.1Å; V50-L189 HydrophobicContact CB-CD2 3.96Å; V50-L189 HydrophobicContact CG1-CD2 4.05Å; V50-L189 HydrophobicContact CG2-CD2 3.94Å; M185-L189 HydrophobicContact CB-CD1 4.29Å; M185-L189 HydrophobicContact CE-CD1 4.17Å; M185-L189 HydrophobicContact CE-CD2 4.46Å; M185-L189 HydrophobicContact CE-CG 4.35Å; M185-L189 VanDerWaalsContact O-CB 3.29Å; M185-L189 WeakPolarHBondContact O-CB 3.15Å; M185-L189 VanDerWaalsContact O-CG 3.29Å; M185-L189 WeakPolarHBondContact O-CG 3.25Å; M185-L189 PolarHBondContact O-N 2.61Å; L189-L191 PolarHBondContact O-N 3.19Å; L189-V192 PolarHBondContact O-N 3.5Å; L189-A193 WeakPolarHBondContact O-CB 3.28Å; L189-A193 PolarHBondContact O-N 2.86Å
190P94.7Very high93.1Very high69 Ų6935.5 Ų35.545%0.44821%0.205SC..Hα-helixtrans-63.5-39.3176.1-22.534.8000112.8I186 A193 I194I186-P190 WeakPolarHBondContact O-CD 3.47Å; I186-P190 WeakPolarHBondContact O-CG 3.22Å; P190-A193 PolarHBondContact O-N 2.97Å; P190-I194 VanDerWaalsContact O-CG1 3.27Å; P190-I194 WeakPolarHBondContact O-CG1 3.36Å; P190-I194 PolarHBondContact O-N 2.94Å
191L94.6Very high93.6Very high20 Ų2032.2 Ų32.211%0.10518%0.183CC..Hα-helixtrans-62.7-45.4178.2-68.8175.2000111.6L168 I169 Y187 Y188 L189 I194 F195L168-L191 HydrophobicContact CB-CD1 3.8Å; L168-L191 HydrophobicContact CB-CD2 4.05Å; L168-L191 HydrophobicContact CD1-CD2 3.84Å; I169-L191 HydrophobicContact CG1-CB 4.06Å; Y187-L191 HydrophobicContact CD1-CD1 4Å; Y187-L191 HydrophobicContact CE1-CD1 3.5Å; Y187-L191 VanDerWaalsContact CE1-CD1 3.5Å; Y187-L191 HydrophobicContact CE2-CD1 4.26Å; Y187-L191 WeakPolarHBondContact O-CG 3.48Å; Y188-L191 PolarHBondContact O-N 3.34Å; L189-L191 PolarHBondContact O-N 3.19Å; L191-I194 PolarHBondContact O-N 3.47Å; L191-F195 WeakPolarHBondContact O-CB 3.33Å; L191-F195 PolarHBondContact O-N 3.02Å
192V94.8Very high94.1Very high0 Ų029.6 Ų29.60%017%0.167CC..Hα-helixtrans-63.9-42.4175.6167.50000111.1W25 I47 I169 Y188 L189 I194 F195 Q196W25-V192 HydrophobicContact CH2-CB 4.35Å; W25-V192 HydrophobicContact CH2-CG1 3.51Å; W25-V192 HydrophobicContact CH2-CG2 3.88Å; W25-V192 HydrophobicContact CZ2-CG1 4.26Å; W25-V192 HydrophobicContact CZ3-CG1 4.21Å; W25-V192 HydrophobicContact CZ3-CG2 3.89Å; I47-V192 HydrophobicContact CG2-CB 4.25Å; I47-V192 HydrophobicContact CG2-CG1 4.32Å; I47-V192 HydrophobicContact CG2-CG2 3.65Å; I169-V192 HydrophobicContact CD1-CG2 4Å; I169-V192 HydrophobicContact CG1-CG2 4.23Å; Y188-V192 WeakPolarHBondContact O-CB 3.36Å; Y188-V192 WeakPolarHBondContact O-CG2 3.5Å; Y188-V192 PolarHBondContact O-N 3.18Å; L189-V192 PolarHBondContact O-N 3.5Å; V192-I194 VanDerWaalsContact C-N 3.34Å; V192-I194 PolarHBondContact O-N 3.46Å; V192-F195 PolarHBondContact O-N 3.38Å; V192-Q196 HydrophobicContact CG1-CG 4.14Å; V192-Q196 WeakPolarHBondContact O-CB 3.4Å; V192-Q196 WeakPolarHBondContact O-CG 3.37Å; V192-Q196 PolarHBondContact O-N 3.02Å
193A95.8Very high94.5Very high28 Ų2824.5 Ų24.523%0.23114%0.14CC..Hα-helixtrans-60.8-43.1176.400000112.1V54 L189 P190 Q196 A197V54-A193 HydrophobicContact CG1-CB 4.38Å; V54-A193 WeakPolarHBondContact CG1-O 3.42Å; V54-A193 HydrophobicContact CG2-CB 4.07Å; L189-A193 WeakPolarHBondContact O-CB 3.28Å; L189-A193 PolarHBondContact O-N 2.86Å; P190-A193 PolarHBondContact O-N 2.97Å; A193-Q196 PolarHBondContact O-N 3.48Å; A193-A197 WeakPolarHBondContact O-CB 3.44Å; A193-A197 PolarHBondContact O-N 3.29Å
194I96.7Very high94.8Very high64 Ų6422.6 Ų22.633%0.32812%0.124SC..Hα-helixtrans-64.2-45.7176.4-69.3165.8000111.1L161 P190 L191 V192 Q196 A197 G198L161-I194 HydrophobicContact CB-CG2 4.13Å; L161-I194 HydrophobicContact CD2-CG2 3.97Å; L161-I194 HydrophobicContact CG-CG2 4.48Å; P190-I194 VanDerWaalsContact O-CG1 3.27Å; P190-I194 WeakPolarHBondContact O-CG1 3.36Å; P190-I194 PolarHBondContact O-N 2.94Å; L191-I194 PolarHBondContact O-N 3.47Å; V192-I194 VanDerWaalsContact C-N 3.34Å; V192-I194 PolarHBondContact O-N 3.46Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; I194-Q196 PolarHBondContact O-N 3.22Å; I194-A197 PolarHBondContact O-N 3.44Å; I194-G198 PolarHBondContact O-N 3.14Å
195F96.4Very high95.1Very high0 Ų021.8 Ų21.80%012%0.121CC..Hα-helixtrans-57.3-45.9176.8167.7-113.9000111.5C21 W25 I162 S165 F166 I169 L191 V192 G198 W199C21-F195 HydrophobicContact CB-CE2 3.82Å; C21-F195 HydrophobicContact CB-CZ 3.9Å; W25-F195 HydrophobicContact CB-CE1 4.32Å; W25-F195 HydrophobicContact CB-CZ 4.47Å; W25-F195 AromaticContact CD2-CE1 3.83Å; W25-F195 HydrophobicContact CD2-CE1 3.83Å; W25-F195 HydrophobicContact CE3-CD1 4.16Å; W25-F195 AromaticContact CE3-CE1 3.78Å; W25-F195 HydrophobicContact CE3-CE1 3.78Å; W25-F195 HydrophobicContact CG-CE1 4.05Å; W25-F195 HydrophobicContact CZ3-CD1 4.4Å; W25-F195 HydrophobicContact CZ3-CE1 4.45Å; I162-F195 HydrophobicContact CG1-CD2 4.16Å; I162-F195 HydrophobicContact CG1-CE2 4.33Å; I162-F195 HydrophobicContact CG2-CD2 4.21Å; I162-F195 HydrophobicContact CG2-CE2 4.04Å; S165-F195 VanDerWaalsContact OG-CA 3.29Å; S165-F195 WeakPolarHBondContact OG-CA 3.34Å; S165-F195 WeakPolarHBondContact OG-CB 3.35Å; F166-F195 HydrophobicContact CB-CD2 4.25Å; F166-F195 HydrophobicContact CB-CE2 4.43Å; F166-F195 AromaticContact CD2-CD2 3.8Å; F166-F195 HydrophobicContact CD2-CD2 3.8Å; F166-F195 HydrophobicContact CD2-CE1 4.41Å; F166-F195 AromaticContact CD2-CE2 3.37Å; F166-F195 HydrophobicContact CD2-CE2 3.37Å; F166-F195 HydrophobicContact CD2-CG 4.48Å; F166-F195 AromaticContact CD2-CZ 3.72Å; F166-F195 HydrophobicContact CD2-CZ 3.72Å; F166-F195 AromaticContact CE2-CE2 3.99Å; F166-F195 HydrophobicContact CE2-CE2 3.99Å; F166-F195 AromaticContact CE2-CZ 3.88Å; F166-F195 HydrophobicContact CE2-CZ 3.88Å; F166-F195 HydrophobicContact CG-CE2 4.28Å; I169-F195 HydrophobicContact CD1-CB 3.65Å; I169-F195 HydrophobicContact CD1-CD1 4.03Å; I169-F195 HydrophobicContact CD1-CG 3.86Å; L191-F195 WeakPolarHBondContact O-CB 3.33Å; L191-F195 PolarHBondContact O-N 3.02Å; V192-F195 PolarHBondContact O-N 3.38Å; F195-G198 PolarHBondContact O-N 3.21Å; F195-W199 HydrophobicContact CE1-CE3 4.35Å; F195-W199 HydrophobicContact CE2-CE3 4.17Å; F195-W199 AromaticContact CZ-CE3 3.64Å; F195-W199 HydrophobicContact CZ-CE3 3.64Å; F195-W199 AromaticContact CZ-CZ3 3.94Å; F195-W199 HydrophobicContact CZ-CZ3 3.94Å; F195-W199 WeakPolarHBondContact O-CB 3.36Å; F195-W199 PolarHBondContact O-N 3.03Å
196Q95.4Very high95.3Very high3 Ų321.2 Ų21.21%0.01412%0.118CC..Hα-helixtrans-71.4-36.3-177.8-65.7-75.26.300112.5G51 V54 D55 V192 A193 I194 W199 A200G51-Q196 VanDerWaalsContact O-CG 3.3Å; G51-Q196 WeakPolarHBondContact O-CG 3.41Å; V54-Q196 HydrophobicContact CB-CB 4.2Å; V54-Q196 HydrophobicContact CG1-CB 4.03Å; D55-Q196 HydrophobicContact CB-CB 4.18Å; V192-Q196 HydrophobicContact CG1-CG 4.14Å; V192-Q196 WeakPolarHBondContact O-CB 3.4Å; V192-Q196 WeakPolarHBondContact O-CG 3.37Å; V192-Q196 PolarHBondContact O-N 3.02Å; A193-Q196 PolarHBondContact O-N 3.48Å; I194-Q196 VanDerWaalsContact C-N 3.33Å; I194-Q196 PolarHBondContact O-N 3.22Å; Q196-W199 WeakPolarHBondContact O-CB 3.4Å; Q196-W199 PolarHBondContact O-N 3.45Å; Q196-A200 WeakPolarHBondContact O-CB 3.44Å; Q196-A200 PolarHBondContact O-N 3.38Å
197A96.6Very high95.6Very high21 Ų2116 Ų1617%0.1749%0.091CC..Hα-helixtrans-64-42.3170.400000111.7M58 A193 I194 W199 A200 A201M58-A197 HydrophobicContact CG-CB 4.01Å; M58-A197 HydrophobicContact SD-CB 4.43Å; A193-A197 WeakPolarHBondContact O-CB 3.44Å; A193-A197 PolarHBondContact O-N 3.29Å; I194-A197 PolarHBondContact O-N 3.44Å; A197-W199 VanDerWaalsContact C-N 3.34Å; A197-A200 PolarHBondContact O-N 3.46Å; A197-A201 PolarHBondContact O-N 3.15Å
198G97.3Very high95.7Very high0 Ų013.6 Ų13.60%08%0.082CC..Hα-helixtrans-62.8-41.1174.500000112.6G158 I194 F195 A201 V202G158-G198 WeakPolarHBondContact CA-O 3.27Å; I194-G198 PolarHBondContact O-N 3.14Å; F195-G198 PolarHBondContact O-N 3.21Å; G198-A201 WeakPolarHBondContact O-CB 3.5Å; G198-A201 PolarHBondContact O-N 3.06Å; G198-V202 PolarHBondContact O-N 3Å; G198-V202 VanDerWaalsContact O-N 3.11Å
199W95.8Very high95.6Very high11 Ų1113.6 Ų13.64%0.0428%0.082CC..Hα-helixtrans-57.6-54.4174.1178.8-72.4000111.8N18 C21 A22 F26 F195 Q196 A197 A201 V202 Q203N18-W199 HydrophobicContact CB-CE3 4.47Å; N18-W199 PolarHBondContact ND2-O 2.7Å; N18-W199 WeakPolarHBondContact O-CZ3 3.43Å; C21-W199 HydrophobicContact CB-CZ3 4.29Å; A22-W199 HydrophobicContact CB-CH2 3.05Å; A22-W199 HydrophobicContact CB-CZ2 3.96Å; A22-W199 HydrophobicContact CB-CZ3 3.66Å; F26-W199 HydrophobicContact CE2-CH2 4.07Å; F26-W199 HydrophobicContact CE2-CZ2 4.44Å; F195-W199 HydrophobicContact CE1-CE3 4.35Å; F195-W199 HydrophobicContact CE2-CE3 4.17Å; F195-W199 AromaticContact CZ-CE3 3.64Å; F195-W199 HydrophobicContact CZ-CE3 3.64Å; F195-W199 AromaticContact CZ-CZ3 3.94Å; F195-W199 HydrophobicContact CZ-CZ3 3.94Å; F195-W199 WeakPolarHBondContact O-CB 3.36Å; F195-W199 PolarHBondContact O-N 3.03Å; Q196-W199 WeakPolarHBondContact O-CB 3.4Å; Q196-W199 PolarHBondContact O-N 3.45Å; A197-W199 VanDerWaalsContact C-N 3.34Å; W199-A201 PolarHBondContact O-N 3.12Å; W199-V202 PolarHBondContact O-N 3.22Å; W199-Q203 WeakPolarHBondContact O-CB 3.35Å; W199-Q203 PolarHBondContact O-N 3.44Å
200A96.8Very high95.6Very high0 Ų011.5 Ų11.50%07%0.071CC..Hα-helixtrans-57-38.5179.400000111D55 M58 T59 I62 Q196 A197 Q203 I204D55-A200 WeakPolarHBondContact OD1-CB 3.46Å; M58-A200 HydrophobicContact CB-CB 3.74Å; T59-A200 HydrophobicContact CG2-CB 3.9Å; I62-A200 HydrophobicContact CD1-CB 3.68Å; Q196-A200 WeakPolarHBondContact O-CB 3.44Å; Q196-A200 PolarHBondContact O-N 3.38Å; A197-A200 PolarHBondContact O-N 3.46Å; A200-Q203 PolarHBondContact O-N 3.37Å; A200-I204 WeakPolarHBondContact O-CB 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.23Å; A200-I204 PolarHBondContact O-N 2.89Å
201A97.1Very high95.4Very high6 Ų68.2 Ų8.25%0.055%0.05CC..Hα-helixtrans-60.3-51.8177.700000112.3I62 A197 G198 W199 T205I62-A201 HydrophobicContact CD1-CB 3.83Å; I62-A201 VanDerWaalsContact CD1-N 3.31Å; I62-A201 HydrophobicContact CG2-CB 4.4Å; A197-A201 PolarHBondContact O-N 3.15Å; G198-A201 WeakPolarHBondContact O-CB 3.5Å; G198-A201 PolarHBondContact O-N 3.06Å; W199-A201 PolarHBondContact O-N 3.12Å; A201-T205 WeakPolarHBondContact O-CB 3.37Å; A201-T205 WeakPolarHBondContact O-CG2 3.44Å; A201-T205 PolarHBondContact O-N 3.1Å; A201-T205 PolarHBondContact O-OG1 2.95Å
202V97.3Very high95.1Very high0 Ų08.9 Ų8.90%05%0.052CC..Hα-helixtrans-64.4-46.9178.6170.70000110.8N18 H155 S159 I162 G198 W199 T205 H206N18-V202 HydrophobicContact CB-CG1 4.33Å; N18-V202 VanDerWaalsContact CG-CG1 3.47Å; N18-V202 VanDerWaalsContact OD1-CB 3.24Å; N18-V202 WeakPolarHBondContact OD1-CB 3.18Å; N18-V202 WeakPolarHBondContact OD1-CG1 3.46Å; H155-V202 WeakPolarHBondContact O-CG2 3.47Å; S159-V202 WeakPolarHBondContact OG-CG2 3.46Å; I162-V202 HydrophobicContact CD1-CG2 4.05Å; G198-V202 PolarHBondContact O-N 3Å; G198-V202 VanDerWaalsContact O-N 3.11Å; W199-V202 PolarHBondContact O-N 3.22Å; V202-T205 PolarHBondContact O-OG1 2.93Å; V202-H206 WeakPolarHBondContact O-CB 3.28Å; V202-H206 PolarHBondContact O-N 2.99Å
203Q95.9Very high94.8Very high13 Ų139.1 Ų9.16%0.0615%0.053CC..Hα-helixtrans-62.5-54-175.5-176.6177.6-5100112.5W199 A200 H206 L207W199-Q203 WeakPolarHBondContact O-CB 3.35Å; W199-Q203 PolarHBondContact O-N 3.44Å; A200-Q203 PolarHBondContact O-N 3.37Å; Q203-H206 PolarHBondContact O-N 2.96Å; Q203-L207 HydrophobicContact CG-CD1 4.09Å; Q203-L207 WeakPolarHBondContact O-CG 3.27Å; Q203-L207 PolarHBondContact O-N 2.97Å
204I95.8Very high94.4Very high0 Ų07.9 Ų7.90%04%0.043CC..Hα-helixtrans-68.6-41.7-173.2-62.4-50.7000111T59 I62 A200 A208 A518 S525T59-I204 HydrophobicContact CG2-CD1 3.89Å; T59-I204 HydrophobicContact CG2-CG1 3.84Å; I62-I204 HydrophobicContact CG2-CB 4.28Å; A200-I204 WeakPolarHBondContact O-CB 3.27Å; A200-I204 WeakPolarHBondContact O-CG1 3.23Å; A200-I204 PolarHBondContact O-N 2.89Å; I204-A208 VanDerWaalsContact O-CB 3.3Å; I204-A208 WeakPolarHBondContact O-CB 3.18Å; I204-A208 PolarHBondContact O-N 2.96Å; I204-A518 HydrophobicContact CG2-CB 4.11Å; I204-A518 WeakPolarHBondContact CG2-O 3.49Å; I204-S525 WeakPolarHBondContact CD1-OG 3.28Å
205T95.1Very high93.8Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-67.3-43.1178.660.40000111I62 R151 W154 H155 A201 V202 L207 A208 L209I62-T205 HydrophobicContact CG2-CG2 4.28Å; R151-T205 HydrophobicContact CB-CG2 4.42Å; W154-T205 HydrophobicContact CB-CG2 3.46Å; W154-T205 VanDerWaalsContact CB-CG2 3.46Å; W154-T205 HydrophobicContact CG-CG2 4.44Å; H155-T205 WeakPolarHBondContact CB-OG1 3.26Å; A201-T205 WeakPolarHBondContact O-CB 3.37Å; A201-T205 WeakPolarHBondContact O-CG2 3.44Å; A201-T205 PolarHBondContact O-N 3.1Å; A201-T205 PolarHBondContact O-OG1 2.95Å; V202-T205 PolarHBondContact O-OG1 2.93Å; T205-L207 PolarHBondContact O-N 2.9Å; T205-A208 PolarHBondContact O-N 3.21Å; T205-L209 VanDerWaalsContact O-CG 3.29Å; T205-L209 WeakPolarHBondContact O-CG 3.48Å; T205-L209 PolarHBondContact O-N 2.97Å; T205-L209 VanDerWaalsContact O-N 3.07Å
206H96.4Very high93.4Very high0 Ų015.7 Ų15.70%08%0.08CC..Hα-helixtrans-62.2-41.6178.4-171.6-91.7000113.1Y11 H155 V202 Q203 L209Y11-H206 AromaticContact CD2-NE2 3.85Å; Y11-H206 AromaticContact CE1-CE1 3.76Å; Y11-H206 AromaticContact CE2-CD2 3.95Å; Y11-H206 AromaticContact CE2-CE1 3.5Å; Y11-H206 AromaticContact CE2-ND1 3.92Å; Y11-H206 AromaticContact CE2-NE2 3.51Å; Y11-H206 VanDerWaalsContact CE2-O 3.29Å; Y11-H206 WeakPolarHBondContact CE2-O 3.34Å; Y11-H206 AromaticContact CZ-CE1 3.23Å; Y11-H206 AromaticContact CZ-ND1 3.67Å; Y11-H206 AromaticContact CZ-NE2 3.74Å; Y11-H206 PolarHBondContact O-CE1 3.21Å; Y11-H206 PolarHBondContact O-NE2 3.04Å; Y11-H206 PolarHBondContact OH-CE1 3.45Å; Y11-H206 PolarHBondContact OH-ND1 3.28Å; Y11-H206 VanDerWaalsContact OH-ND1 3.15Å; Y11-H206 PolarHBondContact OH-O 3.29Å; H155-H206 AromaticContact NE2-CD2 3.91Å; V202-H206 WeakPolarHBondContact O-CB 3.28Å; V202-H206 PolarHBondContact O-N 2.99Å; Q203-H206 PolarHBondContact O-N 2.96Å; H206-L209 PolarHBondContact O-N 3.39Å
207L95.7Very high93Very high5 Ų518.2 Ų18.23%0.02610%0.097CC..Hα-helixtrans-63.9-41.2173.6-74.6170.3000112Q203 T205 L209 I210 L503 Y521Q203-L207 HydrophobicContact CG-CD1 4.09Å; Q203-L207 WeakPolarHBondContact O-CG 3.27Å; Q203-L207 PolarHBondContact O-N 2.97Å; T205-L207 PolarHBondContact O-N 2.9Å; L207-L209 VanDerWaalsContact C-N 3.3Å; L207-L209 PolarHBondContact O-N 3.42Å; L207-I210 HydrophobicContact CD2-CD1 4.38Å; L207-I210 WeakPolarHBondContact O-CB 3.38Å; L207-I210 WeakPolarHBondContact O-CG1 3.29Å; L207-I210 PolarHBondContact O-N 3.25Å; L207-L503 HydrophobicContact CD2-CD2 4.2Å; L207-Y521 HydrophobicContact CB-CD1 4.02Å; L207-Y521 HydrophobicContact CB-CD2 4.03Å; L207-Y521 HydrophobicContact CB-CE1 4.17Å; L207-Y521 HydrophobicContact CB-CE2 4.15Å; L207-Y521 HydrophobicContact CB-CG 3.96Å; L207-Y521 HydrophobicContact CD1-CD1 4.16Å; L207-Y521 WeakPolarHBondContact O-CE2 3.48Å
208A93.2Very high92.8Very high0 Ų017.8 Ų17.80%09%0.093CC..Hα-helixtrans-66.8-30.6-178.700000113R151 I204 T205 I210 N211 A518 Y521R151-A208 PolarHBondContact NH1-O 3.49Å; I204-A208 VanDerWaalsContact O-CB 3.3Å; I204-A208 WeakPolarHBondContact O-CB 3.18Å; I204-A208 PolarHBondContact O-N 2.96Å; T205-A208 PolarHBondContact O-N 3.21Å; A208-I210 PolarHBondContact O-N 3.23Å; A208-N211 PolarHBondContact O-N 3.48Å; A208-A518 HydrophobicContact CB-CB 3.66Å; A208-Y521 HydrophobicContact CB-CD2 4.19Å
209L92.9Very high92.5Very high0 Ų018.3 Ų18.30%010%0.096CC..Hα-helixtrans-60.9-24.4174.9-66.5170.1000113.3Y11 R151 K152 T205 H206 L207 N211 E212 L213 F342 F351Y11-L209 HydrophobicContact CD2-CB 4.46Å; Y11-L209 HydrophobicContact CE2-CB 4.01Å; R151-L209 HydrophobicContact CB-CD2 4.17Å; K152-L209 HydrophobicContact CG-CD1 4.48Å; K152-L209 HydrophobicContact CG-CD2 4.35Å; T205-L209 VanDerWaalsContact O-CG 3.29Å; T205-L209 WeakPolarHBondContact O-CG 3.48Å; T205-L209 PolarHBondContact O-N 2.97Å; T205-L209 VanDerWaalsContact O-N 3.07Å; H206-L209 PolarHBondContact O-N 3.39Å; L207-L209 VanDerWaalsContact C-N 3.3Å; L207-L209 PolarHBondContact O-N 3.42Å; L209-N211 PolarHBondContact O-N 3.35Å; L209-E212 PolarHBondContact O-N 3.38Å; L209-E212 VanDerWaalsContact O-N 3.16Å; L209-L213 HydrophobicContact CB-CD1 4.4Å; L209-L213 WeakPolarHBondContact O-CB 3.26Å; L209-L213 VanDerWaalsContact O-CG 3.26Å; L209-L213 WeakPolarHBondContact O-CG 3.4Å; L209-L213 PolarHBondContact O-N 3.4Å; L209-F342 HydrophobicContact CD1-CE2 4.01Å; L209-F342 HydrophobicContact CD1-CZ 3.55Å; L209-F351 HydrophobicContact CD2-CE1 3.44Å; L209-F351 VanDerWaalsContact CD2-CE1 3.44Å; L209-F351 HydrophobicContact CD2-CZ 3.78Å
210I93.1Very high92.4Very high1 Ų118.5 Ų18.51%0.00510%0.096CC..Hα-helixtrans-54.1-46177.2-65.3177.6000110.5Y11 L207 A208 L213 S214 R220 L223 S507Y11-I210 HydrophobicContact CE1-CG1 4Å; Y11-I210 HydrophobicContact CE2-CG1 4.18Å; Y11-I210 VanDerWaalsContact CZ-CG1 3.44Å; Y11-I210 VanDerWaalsContact OH-CD1 3.29Å; Y11-I210 WeakPolarHBondContact OH-CD1 3.38Å; Y11-I210 WeakPolarHBondContact OH-CG1 3.43Å; L207-I210 HydrophobicContact CD2-CD1 4.38Å; L207-I210 WeakPolarHBondContact O-CB 3.38Å; L207-I210 WeakPolarHBondContact O-CG1 3.29Å; L207-I210 PolarHBondContact O-N 3.25Å; A208-I210 PolarHBondContact O-N 3.23Å; I210-L213 PolarHBondContact O-N 2.89Å; I210-S214 PolarHBondContact O-N 3.21Å; I210-S214 VanDerWaalsContact O-N 3.15Å; I210-S214 PolarHBondContact O-OG 3.4Å; I210-R220 HydrophobicContact CG2-CB 3.82Å; I210-R220 HydrophobicContact CG2-CG 3.63Å; I210-L223 HydrophobicContact CG2-CD1 4.47Å; I210-S507 WeakPolarHBondContact CG2-OG 3.41Å
211N90.4Very high92.2Very high1 Ų118.5 Ų18.51%0.00510%0.096CC..Hα-helixtrans-72.1-34.1-178-65.4-52.6000111.8A208 L209 L213 S214 S507 I510 Q514A208-N211 PolarHBondContact O-N 3.48Å; L209-N211 PolarHBondContact O-N 3.35Å; N211-L213 VanDerWaalsContact C-N 3.33Å; N211-S214 VanDerWaalsContact O-O 3.13Å; N211-S507 PolarHBondContact OD1-O 2.91Å; N211-S507 PolarHBondContact OD1-OG 3.18Å; N211-I510 HydrophobicContact CB-CG2 4.41Å; N211-I510 VanDerWaalsContact ND2-CG2 3.32Å; N211-I510 WeakPolarHBondContact ND2-CG2 3.35Å; N211-Q514 HydrophobicContact CB-CG 4.19Å; N211-Q514 VanDerWaalsContact O-CD 3.26Å; N211-Q514 PolarHBondContact O-NE2 2.81Å; N211-Q514 PolarHBondContact O-OE1 3.02Å
212E88.1Confident92.1Very high33 Ų3319 Ų1915%0.15410%0.098CC..Hα-helixtrans-76.1-21.9178.8-58.2-180-178.500113.6R151 L209 F351 I352R151-E212 WeakPolarHBondContact CD-OE1 3.42Å; R151-E212 IonicContact CZ-OE1 3.28Å; R151-E212 IonicContact NE-OE1 3.12Å; R151-E212 PolarHBondContact NE-OE1 3.02Å; R151-E212 VanDerWaalsContact NH1-CD 3.34Å; R151-E212 IonicContact NH1-OE1 3.57Å; R151-E212 PolarHBondContact NH1-OE1 3.26Å; R151-E212 IonicContact NH2-OE1 2.65Å; L209-E212 PolarHBondContact O-N 3.38Å; L209-E212 VanDerWaalsContact O-N 3.16Å; E212-F351 HydrophobicContact CB-CD1 3.77Å; E212-F351 HydrophobicContact CB-CE1 4.21Å; E212-F351 WeakPolarHBondContact OE2-CD1 3.33Å; E212-F351 VanDerWaalsContact OE2-CE1 3.26Å; E212-F351 WeakPolarHBondContact OE2-CE1 3.38Å; E212-I352 WeakPolarHBondContact O-CD1 3.45Å; E212-I352 PolarHBondContact O-N 3.18Å
213L88.9Confident92Very high6 Ų619 Ų193%0.03110%0.098CC..Hα-helixtrans-91.2-21.9178.7-68.6174.7000112.5L3 L7 Y11 L209 I210 N211 V346 D350 F351L3-L213 WeakPolarHBondContact CD1-O 3.24Å; L3-L213 HydrophobicContact CD2-CB 4.04Å; L7-L213 HydrophobicContact CD1-CD2 4.4Å; Y11-L213 HydrophobicContact CD2-CD1 3.63Å; Y11-L213 HydrophobicContact CE2-CD1 4.4Å; Y11-L213 HydrophobicContact CG-CD1 4.09Å; L209-L213 HydrophobicContact CB-CD1 4.4Å; L209-L213 WeakPolarHBondContact O-CB 3.26Å; L209-L213 VanDerWaalsContact O-CG 3.26Å; L209-L213 WeakPolarHBondContact O-CG 3.4Å; L209-L213 PolarHBondContact O-N 3.4Å; I210-L213 PolarHBondContact O-N 2.89Å; N211-L213 VanDerWaalsContact C-N 3.33Å; L213-V346 HydrophobicContact CD1-CG1 4.48Å; L213-V346 HydrophobicContact CD2-CG1 4.12Å; L213-D350 HydrophobicContact CD2-CB 4.42Å; L213-F351 HydrophobicContact CD2-CD1 4.12Å; L213-F351 HydrophobicContact CD2-CE1 4.06Å; L213-F351 HydrophobicContact CD2-CG 4.46Å; L213-F351 HydrophobicContact CD2-CZ 4.37Å; L213-F351 HydrophobicContact CG-CE1 4.42Å
214S88.7Confident92Very high2 Ų218.4 Ų18.41%0.01410%0.095CC..  trans-145.2129.5-173.956.70000113.6I210 N211 R220I210-S214 PolarHBondContact O-N 3.21Å; I210-S214 VanDerWaalsContact O-N 3.15Å; I210-S214 PolarHBondContact O-OG 3.4Å; N211-S214 VanDerWaalsContact O-O 3.13Å; S214-R220 WeakPolarHBondContact OG-CG 3.4Å
215M82.7Confident92Very high117 Ų11718.6 Ų18.658%0.57610%0.097SC*.SBendtrans-86.3-31.9171.1-60.3-57.1-85.600111.8R220 I352M215-R220 PolarHBondContact O-NH2 3.43Å; M215-I352 HydrophobicContact CG-CD1 3.55Å; M215-I352 HydrophobicContact CG-CG1 4.4Å; M215-I352 HydrophobicContact SD-CD1 3.75Å; M215-I352 HydrophobicContact SD-CG2 4.21Å
216E87.6Confident92Very high111 Ų11119 Ų1952%0.51910%0.099SC..SBendtrans-77.1138.1-174.4-161.5180158.900111.4S218 E219 R220E216-S218 WeakPolarHBondContact CG-OG 3.07Å; E216-S218 PolarHBondContact OE1-OG 3.46Å; E216-E219 HydrophobicContact CB-CB 4.23Å; E216-E219 HydrophobicContact CB-CG 4.08Å; E216-R220 WeakPolarHBondContact O-CG 3.35Å; E216-R220 PolarHBondContact O-N 2.99Å; E216-R220 PolarHBondContact O-NE 2.94Å
217S88.7Confident92Very high55 Ų5520 Ų2039%0.38510%0.102SC..Hα-helixtrans-67.9-36.6179.2580000112.7R220 T221 R454S217-R220 PolarHBondContact O-N 3.35Å; S217-T221 PolarHBondContact O-N 3.1Å; S217-T221 VanDerWaalsContact O-N 3.1Å; S217-T221 PolarHBondContact O-OG1 3.34Å; S217-R454 PolarHBondContact O-NH2 3.44Å
218S91.2Very high91.9Very high12 Ų1220.3 Ų20.38%0.08410%0.104CC..Hα-helixtrans-62.1-45176.969.70000111.4E216 R220 T221 L222 D450E216-S218 WeakPolarHBondContact CG-OG 3.07Å; E216-S218 PolarHBondContact OE1-OG 3.46Å; S218-R220 VanDerWaalsContact C-N 3.35Å; S218-R220 PolarHBondContact O-N 3.05Å; S218-T221 WeakPolarHBondContact O-CB 3.5Å; S218-T221 PolarHBondContact O-N 3.34Å; S218-L222 PolarHBondContact O-N 3.19Å; S218-D450 WeakPolarHBondContact CB-OD1 2.95Å
219E92.3Very high92.1Very high12 Ų1221.4 Ų21.46%0.05611%0.109CC..Hα-helixtrans-63.5-39.5177.5-71.7-63.3111.200111.8L3 R8 E216 T221 L222 L223L3-E219 HydrophobicContact CD1-CB 4.21Å; L3-E219 HydrophobicContact CD1-CG 4.1Å; L3-E219 WeakPolarHBondContact CD1-OE2 3.49Å; R8-E219 IonicContact CZ-OE1 2.97Å; R8-E219 IonicContact CZ-OE2 3.51Å; R8-E219 VanDerWaalsContact CZ-OE2 3.26Å; R8-E219 IonicContact NE-OE1 2.77Å; R8-E219 IonicContact NE-OE2 3.96Å; R8-E219 PolarHBondContact NE-OE2 3.28Å; R8-E219 IonicContact NH2-OE1 2.78Å; R8-E219 PolarHBondContact NH2-OE1 3.21Å; R8-E219 IonicContact NH2-OE2 3.08Å; R8-E219 PolarHBondContact NH2-OE2 3.41Å; E216-E219 HydrophobicContact CB-CB 4.23Å; E216-E219 HydrophobicContact CB-CG 4.08Å; E219-T221 VanDerWaalsContact C-N 3.32Å; E219-T221 PolarHBondContact O-N 3.5Å; E219-L222 WeakPolarHBondContact O-CB 3.36Å; E219-L222 PolarHBondContact O-N 3.3Å; E219-L223 WeakPolarHBondContact O-CG 3.44Å; E219-L223 PolarHBondContact O-N 2.91Å
220R92.6Very high92.2Very high14 Ų1423.7 Ų23.75%0.05312%0.119CC..Hα-helixtrans-64.1-38.3176.1-68.6178.3-76.8151.1-0.5112.3I210 S214 M215 E216 S217 S218 T224 S507 D508I210-R220 HydrophobicContact CG2-CB 3.82Å; I210-R220 HydrophobicContact CG2-CG 3.63Å; S214-R220 WeakPolarHBondContact OG-CG 3.4Å; M215-R220 PolarHBondContact O-NH2 3.43Å; E216-R220 WeakPolarHBondContact O-CG 3.35Å; E216-R220 PolarHBondContact O-N 2.99Å; E216-R220 PolarHBondContact O-NE 2.94Å; S217-R220 PolarHBondContact O-N 3.35Å; S218-R220 VanDerWaalsContact C-N 3.35Å; S218-R220 PolarHBondContact O-N 3.05Å; R220-T224 WeakPolarHBondContact O-CB 3.43Å; R220-T224 PolarHBondContact O-N 3.02Å; R220-T224 PolarHBondContact O-OG1 3.32Å; R220-S507 WeakPolarHBondContact CD-OG 3.42Å; R220-S507 PolarHBondContact NH1-O 2.9Å; R220-D508 IonicContact CZ-OD1 2.65Å; R220-D508 IonicContact NH1-OD1 2.66Å; R220-D508 PolarHBondContact NH1-OD1 2.81Å; R220-D508 VanDerWaalsContact NH1-OD1 3.12Å; R220-D508 IonicContact NH2-OD1 2.91Å; R220-D508 PolarHBondContact NH2-OD1 3.41Å; R220-D508 VanDerWaalsContact NH2-OD1 3.14Å
221T93.1Very high92.2Very high1 Ų124.5 Ų24.51%0.00612%0.124CC..Hα-helixtrans-62.5-46172.7-53.80000110.7S217 S218 E219 T224 S225 Q449 R454 I500S217-T221 PolarHBondContact O-N 3.1Å; S217-T221 VanDerWaalsContact O-N 3.1Å; S217-T221 PolarHBondContact O-OG1 3.34Å; S218-T221 WeakPolarHBondContact O-CB 3.5Å; S218-T221 PolarHBondContact O-N 3.34Å; E219-T221 VanDerWaalsContact C-N 3.32Å; E219-T221 PolarHBondContact O-N 3.5Å; T221-T224 PolarHBondContact O-N 3.39Å; T221-S225 WeakPolarHBondContact O-CB 3.39Å; T221-S225 PolarHBondContact O-N 3.22Å; T221-S225 PolarHBondContact O-OG 3.04Å; T221-Q449 HydrophobicContact CG2-CB 4.03Å; T221-Q449 VanDerWaalsContact CG2-CD 3.42Å; T221-Q449 HydrophobicContact CG2-CG 4.03Å; T221-R454 PolarHBondContact OG1-NH2 2.66Å; T221-I500 HydrophobicContact CG2-CG2 4.46Å
222L94.9Very high92.3Very high17 Ų1724.5 Ų24.59%0.08912%0.124CC..Hα-helixtrans-61.4-49.1177.9178.260.8000111.8W5 R8 S218 E219 T224 S225 L226 K446W5-L222 HydrophobicContact CZ3-CD1 4.49Å; W5-L222 HydrophobicContact CZ3-CD2 4.3Å; R8-L222 VanDerWaalsContact CZ-CD2 3.43Å; S218-L222 PolarHBondContact O-N 3.19Å; E219-L222 WeakPolarHBondContact O-CB 3.36Å; E219-L222 PolarHBondContact O-N 3.3Å; L222-T224 VanDerWaalsContact C-N 3.29Å; L222-T224 PolarHBondContact O-N 3.34Å; L222-S225 WeakPolarHBondContact CA-OG 3.27Å; L222-S225 PolarHBondContact O-N 3.44Å; L222-S225 PolarHBondContact O-OG 3.05Å; L222-L226 HydrophobicContact CD1-CD1 4.05Å; L222-L226 HydrophobicContact CD1-CG 4.14Å; L222-L226 HydrophobicContact CG-CD1 4.07Å; L222-L226 WeakPolarHBondContact O-CG 3.08Å; L222-L226 PolarHBondContact O-N 2.87Å; L222-K446 HydrophobicContact CB-CD 3.82Å; L222-K446 HydrophobicContact CB-CG 4.14Å; L222-K446 HydrophobicContact CD1-CB 4.39Å; L222-K446 HydrophobicContact CD1-CD 3.74Å; L222-K446 HydrophobicContact CD1-CG 4.45Å; L222-K446 HydrophobicContact CD2-CD 4.02Å; L222-K446 HydrophobicContact CG-CD 4.05Å
223L95.7Very high92.6Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-59.2-40.9177.3-69.1176.5000111.8L3 R8 Y11 I210 E219 L226 R227L3-L223 HydrophobicContact CD2-CD1 4.18Å; L3-L223 HydrophobicContact CD2-CD2 4.48Å; R8-L223 HydrophobicContact CB-CD2 4.07Å; R8-L223 HydrophobicContact CG-CD2 3.87Å; Y11-L223 HydrophobicContact CD1-CB 4.05Å; Y11-L223 HydrophobicContact CD1-CD2 3.73Å; Y11-L223 HydrophobicContact CD1-CG 4.33Å; Y11-L223 HydrophobicContact CE1-CB 3.92Å; Y11-L223 HydrophobicContact CE1-CD2 4.46Å; Y11-L223 HydrophobicContact CG-CD2 4.29Å; I210-L223 HydrophobicContact CG2-CD1 4.47Å; E219-L223 WeakPolarHBondContact O-CG 3.44Å; E219-L223 PolarHBondContact O-N 2.91Å; L223-L226 PolarHBondContact O-N 3.36Å; L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 PolarHBondContact O-N 3.4Å
224T94.2Very high92.9Very high0 Ų026.3 Ų26.30%014%0.135CC..Hα-helixtrans-64.7-44.6175.7-56.60000111.6R220 T221 L222 L226 R227 Y228 I500 L503R220-T224 WeakPolarHBondContact O-CB 3.43Å; R220-T224 PolarHBondContact O-N 3.02Å; R220-T224 PolarHBondContact O-OG1 3.32Å; T221-T224 PolarHBondContact O-N 3.39Å; L222-T224 VanDerWaalsContact C-N 3.29Å; L222-T224 PolarHBondContact O-N 3.34Å; T224-L226 PolarHBondContact O-N 2.83Å; T224-R227 PolarHBondContact O-N 3.02Å; T224-Y228 PolarHBondContact O-N 3.38Å; T224-I500 HydrophobicContact CG2-CB 4.49Å; T224-I500 HydrophobicContact CG2-CG2 3.98Å; T224-L503 HydrophobicContact CG2-CB 3.66Å; T224-L503 HydrophobicContact CG2-CD1 3.92Å; T224-L503 HydrophobicContact CG2-CG 4.48Å
225S95.7Very high92.9Very high4 Ų427.1 Ų27.13%0.02814%0.139CC..Hα-helixtrans-63.7-39.8178.369.80000112.2T221 L222 Y228 L229T221-S225 WeakPolarHBondContact O-CB 3.39Å; T221-S225 PolarHBondContact O-N 3.22Å; T221-S225 PolarHBondContact O-OG 3.04Å; L222-S225 WeakPolarHBondContact CA-OG 3.27Å; L222-S225 PolarHBondContact O-N 3.44Å; L222-S225 PolarHBondContact O-OG 3.05Å; S225-Y228 PolarHBondContact O-N 3.4Å; S225-L229 PolarHBondContact O-N 3.28Å
226L96.6Very high93.2Very high9 Ų922.7 Ų22.75%0.04712%0.118CC..Hα-helixtrans-69.2-41.7176.3-70.5170.7000111.8W5 R8 A12 L222 L223 T224 Y228 L229 F230W5-L226 HydrophobicContact CH2-CD1 3.57Å; W5-L226 HydrophobicContact CH2-CD2 3.69Å; W5-L226 HydrophobicContact CH2-CG 4.22Å; W5-L226 HydrophobicContact CZ2-CD2 4.26Å; W5-L226 HydrophobicContact CZ3-CD1 3.69Å; R8-L226 HydrophobicContact CB-CD1 3.99Å; A12-L226 HydrophobicContact CB-CB 3.65Å; L222-L226 HydrophobicContact CD1-CD1 4.05Å; L222-L226 HydrophobicContact CD1-CG 4.14Å; L222-L226 HydrophobicContact CG-CD1 4.07Å; L222-L226 WeakPolarHBondContact O-CG 3.08Å; L222-L226 PolarHBondContact O-N 2.87Å; L223-L226 PolarHBondContact O-N 3.36Å; T224-L226 PolarHBondContact O-N 2.83Å; L226-Y228 VanDerWaalsContact C-N 3.28Å; L226-Y228 PolarHBondContact O-N 3.44Å; L226-L229 HydrophobicContact CD2-CD2 4.4Å; L226-L229 WeakPolarHBondContact O-CB 3.45Å; L226-L229 PolarHBondContact O-N 2.86Å; L226-F230 VanDerWaalsContact O-CD2 3.32Å; L226-F230 WeakPolarHBondContact O-CD2 3.43Å; L226-F230 PolarHBondContact O-N 2.95Å; L226-F230 VanDerWaalsContact O-N 3.16Å
227R96.3Very high93.3Very high19 Ų1920.9 Ų20.97%0.07211%0.111CC..Hα-helixtrans-55.3-48.2173-171.1-171.975.878.74.3110.3Y11 H15 L223 T224 F230 T231Y11-R227 HydrophobicContact CE1-CB 4.49Å; H15-R227 HydrophobicContact CB-CG 4.25Å; H15-R227 PolarHBondContact CD2-NH1 3.42Å; H15-R227 VanDerWaalsContact CD2-NH1 3.26Å; L223-R227 WeakPolarHBondContact O-CB 3.37Å; L223-R227 PolarHBondContact O-N 3.4Å; T224-R227 PolarHBondContact O-N 3.02Å; R227-F230 PolarHBondContact O-N 2.89Å; R227-T231 PolarHBondContact O-N 3.03Å; R227-T231 VanDerWaalsContact O-N 3.07Å; R227-T231 PolarHBondContact O-OG1 2.97Å
228Y93.8Very high93.2Very high13 Ų1318.3 Ų18.35%0.0519%0.093CC..Hα-helixtrans-68.5-35.1-179.8-169.3-114.5000113.4T224 S225 L226 F230 T231 V232 T442 T496 L499 I500T224-Y228 PolarHBondContact O-N 3.38Å; S225-Y228 PolarHBondContact O-N 3.4Å; L226-Y228 VanDerWaalsContact C-N 3.28Å; L226-Y228 PolarHBondContact O-N 3.44Å; Y228-F230 VanDerWaalsContact C-N 3.28Å; Y228-F230 PolarHBondContact O-N 2.83Å; Y228-T231 HydrophobicContact CD2-CG2 4.42Å; Y228-T231 HydrophobicContact CE2-CG2 4.46Å; Y228-T231 WeakPolarHBondContact O-CA 3.17Å; Y228-T231 VanDerWaalsContact O-CB 3.3Å; Y228-T231 WeakPolarHBondContact O-CB 3.23Å; Y228-T231 PolarHBondContact O-N 3.05Å; Y228-T231 VanDerWaalsContact O-N 3.1Å; Y228-V232 HydrophobicContact CD1-CG2 4.21Å; Y228-V232 HydrophobicContact CE1-CG2 3.86Å; Y228-V232 WeakPolarHBondContact O-CG2 3.49Å; Y228-V232 PolarHBondContact O-N 3.26Å; Y228-T442 HydrophobicContact CD1-CG2 3.64Å; Y228-T442 HydrophobicContact CE1-CG2 4.39Å; Y228-T496 HydrophobicContact CD1-CG2 3.9Å; Y228-T496 HydrophobicContact CE1-CG2 3.69Å; Y228-L499 HydrophobicContact CD2-CD2 3.76Å; Y228-L499 HydrophobicContact CE2-CD2 3.32Å; Y228-I500 HydrophobicContact CD1-CD1 4.12Å; Y228-I500 HydrophobicContact CD1-CG1 4.25Å; Y228-I500 HydrophobicContact CG-CG1 4.42Å
229L96.7Very high92.7Very high23 Ų2321 Ų2112%0.1210%0.102CC..Hα-helixtrans-53.6-47.7170.4172.568000111.2S225 L226 T231 V232 L233 I439 T442 M443S225-L229 PolarHBondContact O-N 3.28Å; L226-L229 HydrophobicContact CD2-CD2 4.4Å; L226-L229 WeakPolarHBondContact O-CB 3.45Å; L226-L229 PolarHBondContact O-N 2.86Å; L229-T231 VanDerWaalsContact C-N 3.32Å; L229-T231 PolarHBondContact O-N 2.74Å; L229-V232 PolarHBondContact O-N 3.24Å; L229-L233 HydrophobicContact CD1-CD1 4.35Å; L229-L233 HydrophobicContact CD1-CG 4.41Å; L229-L233 HydrophobicContact CG-CD1 4.11Å; L229-L233 WeakPolarHBondContact O-CG 3.21Å; L229-L233 PolarHBondContact O-N 2.92Å; L229-I439 HydrophobicContact CD1-CB 4.49Å; L229-I439 HydrophobicContact CD1-CG1 4.2Å; L229-I439 HydrophobicContact CD1-CG2 4.03Å; L229-T442 HydrophobicContact CB-CG2 4.49Å; L229-M443 HydrophobicContact CB-CE 4.41Å; L229-M443 HydrophobicContact CD1-CE 3.79Å; L229-M443 HydrophobicContact CD2-CE 3.43Å; L229-M443 VanDerWaalsContact CD2-CE 3.43Å; L229-M443 HydrophobicContact CG-CE 4.04Å
230F96.2Very high92.3Very high47 Ų4725.1 Ų25.121%0.20612%0.123CC..Hα-helixtrans-67.9-30.5177.9-82.2-73.8000113L9 A12 I13 V16 L226 R227 Y228 L233 S234L9-F230 HydrophobicContact CD2-CE2 4.31Å; A12-F230 HydrophobicContact CB-CD2 3.67Å; A12-F230 HydrophobicContact CB-CE2 3.86Å; I13-F230 HydrophobicContact CG2-CD1 4.04Å; I13-F230 HydrophobicContact CG2-CD2 4.21Å; I13-F230 HydrophobicContact CG2-CE1 3.6Å; I13-F230 HydrophobicContact CG2-CE2 3.79Å; I13-F230 HydrophobicContact CG2-CG 4.34Å; I13-F230 HydrophobicContact CG2-CZ 3.46Å; I13-F230 VanDerWaalsContact CG2-CZ 3.46Å; V16-F230 HydrophobicContact CG2-CB 3.78Å; V16-F230 HydrophobicContact CG2-CD1 3.92Å; V16-F230 HydrophobicContact CG2-CG 4.08Å; L226-F230 VanDerWaalsContact O-CD2 3.32Å; L226-F230 WeakPolarHBondContact O-CD2 3.43Å; L226-F230 PolarHBondContact O-N 2.95Å; L226-F230 VanDerWaalsContact O-N 3.16Å; R227-F230 PolarHBondContact O-N 2.89Å; Y228-F230 VanDerWaalsContact C-N 3.28Å; Y228-F230 PolarHBondContact O-N 2.83Å; F230-L233 HydrophobicContact CD1-CD1 4.25Å; F230-L233 HydrophobicContact CE1-CD1 4.39Å; F230-L233 PolarHBondContact O-N 3.31Å; F230-S234 VanDerWaalsContact O-CB 3.3Å; F230-S234 WeakPolarHBondContact O-CB 3.35Å; F230-S234 PolarHBondContact O-N 3.06Å; F230-S234 PolarHBondContact O-OG 3.41Å
231T92.8Very high91.8Very high18 Ų1825.6 Ų25.611%0.1113%0.129CC..Hα-helixtrans-60.7-45.2168.7-53.70000111.2D19 R227 Y228 L229 S234 N235D19-T231 HydrophobicContact CB-CG2 4.38Å; D19-T231 VanDerWaalsContact CG-OG1 3.24Å; D19-T231 WeakPolarHBondContact OD1-CG2 3.37Å; D19-T231 PolarHBondContact OD1-OG1 2.95Å; D19-T231 WeakPolarHBondContact OD2-CA 3.1Å; D19-T231 WeakPolarHBondContact OD2-CB 3.45Å; D19-T231 PolarHBondContact OD2-N 3.29Å; D19-T231 PolarHBondContact OD2-OG1 3.2Å; R227-T231 PolarHBondContact O-N 3.03Å; R227-T231 VanDerWaalsContact O-N 3.07Å; R227-T231 PolarHBondContact O-OG1 2.97Å; Y228-T231 HydrophobicContact CD2-CG2 4.42Å; Y228-T231 HydrophobicContact CE2-CG2 4.46Å; Y228-T231 WeakPolarHBondContact O-CA 3.17Å; Y228-T231 VanDerWaalsContact O-CB 3.3Å; Y228-T231 WeakPolarHBondContact O-CB 3.23Å; Y228-T231 PolarHBondContact O-N 3.05Å; Y228-T231 VanDerWaalsContact O-N 3.1Å; L229-T231 VanDerWaalsContact C-N 3.32Å; L229-T231 PolarHBondContact O-N 2.74Å; T231-S234 PolarHBondContact O-N 3.47Å; T231-N235 PolarHBondContact O-N 3.24Å; T231-N235 VanDerWaalsContact O-N 3.09Å; T231-N235 PolarHBondContact O-ND2 2.69Å
232V92.6Very high91.1Very high1 Ų125.8 Ų25.81%0.00613%0.13CC..Hα-helixtrans-66.2-44.9178.7-1800000111.3Y228 L229 S234 N235 L236 Y435 I439Y228-V232 HydrophobicContact CD1-CG2 4.21Å; Y228-V232 HydrophobicContact CE1-CG2 3.86Å; Y228-V232 WeakPolarHBondContact O-CG2 3.49Å; Y228-V232 PolarHBondContact O-N 3.26Å; L229-V232 PolarHBondContact O-N 3.24Å; V232-S234 VanDerWaalsContact C-N 3.3Å; V232-S234 PolarHBondContact O-N 3.35Å; V232-N235 PolarHBondContact O-N 3.23Å; V232-L236 WeakPolarHBondContact O-CG 3.42Å; V232-L236 PolarHBondContact O-N 3.44Å; V232-Y435 HydrophobicContact CG1-CD1 3.84Å; V232-Y435 HydrophobicContact CG1-CG 4.12Å; V232-Y435 WeakPolarHBondContact CG1-O 3.42Å; V232-Y435 HydrophobicContact CG2-CD1 4.38Å; V232-I439 HydrophobicContact CB-CG1 4.24Å; V232-I439 HydrophobicContact CG1-CD1 4.01Å; V232-I439 HydrophobicContact CG1-CG1 3.59Å
233L94.2Very high90.2Very high72 Ų7230.7 Ų30.738%0.37715%0.151SC..Hα-helixtrans-61.3-37.9176-68.5173.1000112.4L229 F230 L236 L237 I439L229-L233 HydrophobicContact CD1-CD1 4.35Å; L229-L233 HydrophobicContact CD1-CG 4.41Å; L229-L233 HydrophobicContact CG-CD1 4.11Å; L229-L233 WeakPolarHBondContact O-CG 3.21Å; L229-L233 PolarHBondContact O-N 2.92Å; F230-L233 HydrophobicContact CD1-CD1 4.25Å; F230-L233 HydrophobicContact CE1-CD1 4.39Å; F230-L233 PolarHBondContact O-N 3.31Å; L233-L236 PolarHBondContact O-N 3.11Å; L233-L237 WeakPolarHBondContact O-CB 3.16Å; L233-L237 PolarHBondContact O-N 3.25Å; L233-I439 HydrophobicContact CD2-CD1 4.1Å
234S94.2Very high89.4Confident5 Ų535.5 Ų35.54%0.03518%0.176CC..Hα-helixtrans-63.1-43.9175.6-60.40000111.9F230 T231 V232 L237 V238F230-S234 VanDerWaalsContact O-CB 3.3Å; F230-S234 WeakPolarHBondContact O-CB 3.35Å; F230-S234 PolarHBondContact O-N 3.06Å; F230-S234 PolarHBondContact O-OG 3.41Å; T231-S234 PolarHBondContact O-N 3.47Å; V232-S234 VanDerWaalsContact C-N 3.3Å; V232-S234 PolarHBondContact O-N 3.35Å; S234-L237 PolarHBondContact O-N 2.89Å; S234-V238 WeakPolarHBondContact O-CG2 3.16Å; S234-V238 PolarHBondContact O-N 2.84Å
235N88.4Confident88.6Confident19 Ų1937.2 Ų37.210%0.10219%0.185CC..Hα-helixtrans-60.9-47.5175.5-79.7-73.8000111.4S23 T231 V232 L237 V238 Y239 Y435S23-N235 WeakPolarHBondContact CB-OD1 3.5Å; S23-N235 PolarHBondContact OG-OD1 2.93Å; T231-N235 PolarHBondContact O-N 3.24Å; T231-N235 VanDerWaalsContact O-N 3.09Å; T231-N235 PolarHBondContact O-ND2 2.69Å; V232-N235 PolarHBondContact O-N 3.23Å; N235-L237 VanDerWaalsContact C-N 3.33Å; N235-L237 PolarHBondContact O-N 3.29Å; N235-V238 PolarHBondContact O-N 2.88Å; N235-Y239 HydrophobicContact CB-CE2 4.39Å; N235-Y239 WeakPolarHBondContact O-CD2 3.36Å; N235-Y239 PolarHBondContact O-N 2.9Å; N235-Y435 HydrophobicContact CB-CE1 4.27Å; N235-Y435 HydrophobicContact CB-CE2 4.21Å
236L88.8Confident87.5Confident24 Ų2439.6 Ų39.613%0.12620%0.197CC..Hα-helixtrans-57.7-45.2176.8-68.3178.1000112.2V232 L233 V238 Y239 I240 L432 Y435 I439V232-L236 WeakPolarHBondContact O-CG 3.42Å; V232-L236 PolarHBondContact O-N 3.44Å; L233-L236 PolarHBondContact O-N 3.11Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 PolarHBondContact O-N 3.46Å; L236-Y239 PolarHBondContact O-N 2.9Å; L236-I240 WeakPolarHBondContact O-CB 3.38Å; L236-I240 VanDerWaalsContact O-CG1 3.27Å; L236-I240 WeakPolarHBondContact O-CG1 3.39Å; L236-I240 PolarHBondContact O-N 3.49Å; L236-L432 HydrophobicContact CD2-CD1 3.34Å; L236-Y435 HydrophobicContact CD2-CD2 4.47Å; L236-I439 HydrophobicContact CD1-CD1 3.62Å
237L90.6Very high86.5Confident73 Ų7344.2 Ų44.238%0.38222%0.219SC..Hα-helixtrans-58.3-46.6178.1-178.664.1000111.3L20 L233 S234 N235 I240 S241 V334L20-L237 HydrophobicContact CD2-CB 4.38Å; L20-L237 HydrophobicContact CD2-CD2 3.87Å; L20-L237 HydrophobicContact CD2-CG 4.47Å; L233-L237 WeakPolarHBondContact O-CB 3.16Å; L233-L237 PolarHBondContact O-N 3.25Å; S234-L237 PolarHBondContact O-N 2.89Å; N235-L237 VanDerWaalsContact C-N 3.33Å; N235-L237 PolarHBondContact O-N 3.29Å; L237-I240 PolarHBondContact O-N 3.07Å; L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.29Å; L237-S241 PolarHBondContact O-N 3.41Å; L237-S241 PolarHBondContact O-OG 3.09Å; L237-S241 VanDerWaalsContact O-OG 3.05Å; L237-V334 HydrophobicContact CD2-CG1 4.25Å
238V87.1Confident85.6Confident1 Ų148.4 Ų48.41%0.00624%0.239CC..Hα-helixtrans-63.7-45.6179.9166.90000111.7L20 S23 V24 Y28 S234 N235 L236 I240 S241 T242 I331L20-V238 HydrophobicContact CD2-CG2 3.84Å; S23-V238 WeakPolarHBondContact OG-CB 3.39Å; S23-V238 WeakPolarHBondContact OG-CG1 3.16Å; V24-V238 HydrophobicContact CG2-CB 4.46Å; V24-V238 HydrophobicContact CG2-CG1 3.42Å; V24-V238 VanDerWaalsContact CG2-CG1 3.42Å; V24-V238 HydrophobicContact CG2-CG2 4.17Å; Y28-V238 HydrophobicContact CE2-CG1 3.95Å; S234-V238 WeakPolarHBondContact O-CG2 3.16Å; S234-V238 PolarHBondContact O-N 2.84Å; N235-V238 PolarHBondContact O-N 2.88Å; L236-V238 VanDerWaalsContact C-N 3.33Å; L236-V238 PolarHBondContact O-N 3.46Å; V238-I240 VanDerWaalsContact C-N 3.35Å; V238-I240 PolarHBondContact O-N 3.44Å; V238-S241 PolarHBondContact O-N 3.44Å; V238-T242 WeakPolarHBondContact O-CB 3.38Å; V238-T242 PolarHBondContact O-N 3.13Å; V238-T242 PolarHBondContact O-OG1 3.38Å; V238-I331 HydrophobicContact CG2-CD1 3.97Å; V238-I331 HydrophobicContact CG2-CG1 4.35Å
239Y79.8Confident84.5Confident68 Ų6848.9 Ų48.927%0.26724%0.241SC..Hα-helixtrans-61.4-42.8177.5-75.5-66.3000112.4T27 N235 L236 F243 Y435T27-Y239 HydrophobicContact CG2-CE1 3.84Å; T27-Y239 PolarHBondContact OG1-OH 3.35Å; N235-Y239 HydrophobicContact CB-CE2 4.39Å; N235-Y239 WeakPolarHBondContact O-CD2 3.36Å; N235-Y239 PolarHBondContact O-N 2.9Å; L236-Y239 PolarHBondContact O-N 2.9Å; Y239-F243 WeakPolarHBondContact O-CB 3.4Å; Y239-F243 PolarHBondContact O-N 2.66Å; Y239-Y435 HydrophobicContact CD2-CE2 4.47Å; Y239-Y435 AromaticContact CE2-CE2 3.84Å; Y239-Y435 HydrophobicContact CE2-CE2 3.84Å
240I83.5Confident83.2Confident99 Ų9953 Ų5351%0.50826%0.26SS..Hα-helixtrans-66.2-46.2177.3-66166.7000110.6L236 L237 V238 F243 L244L236-I240 WeakPolarHBondContact O-CB 3.38Å; L236-I240 VanDerWaalsContact O-CG1 3.27Å; L236-I240 WeakPolarHBondContact O-CG1 3.39Å; L236-I240 PolarHBondContact O-N 3.49Å; L237-I240 PolarHBondContact O-N 3.07Å; V238-I240 VanDerWaalsContact C-N 3.35Å; V238-I240 PolarHBondContact O-N 3.44Å; I240-F243 PolarHBondContact O-N 2.89Å; I240-L244 HydrophobicContact CG2-CD1 4.05Å; I240-L244 WeakPolarHBondContact O-CG 3.17Å; I240-L244 PolarHBondContact O-N 3.43Å
241S83.8Confident81.9Confident25 Ų2556.3 Ų56.318%0.17528%0.276CS..Hα-helixtrans-61.6-45.1178.6-690000112.1L237 V238 L244 L245L237-S241 VanDerWaalsContact O-CB 3.31Å; L237-S241 WeakPolarHBondContact O-CB 3.29Å; L237-S241 PolarHBondContact O-N 3.41Å; L237-S241 PolarHBondContact O-OG 3.09Å; L237-S241 VanDerWaalsContact O-OG 3.05Å; V238-S241 PolarHBondContact O-N 3.44Å; S241-L244 PolarHBondContact O-N 2.87Å; S241-L245 WeakPolarHBondContact O-CB 3.47Å; S241-L245 VanDerWaalsContact O-CG 3.23Å; S241-L245 WeakPolarHBondContact O-CG 3.16Å; S241-L245 PolarHBondContact O-N 2.95Å
242T77.1Confident81Confident4 Ų457.7 Ų57.73%0.02528%0.284CS..Hα-helixtrans-63.2-43.8177.3-57.70000111.5Y28 V238 L244 L245 L246 L327Y28-T242 HydrophobicContact CE1-CG2 3.8Å; Y28-T242 HydrophobicContact CE2-CG2 4.01Å; Y28-T242 VanDerWaalsContact CE2-OG1 3.23Å; Y28-T242 WeakPolarHBondContact CE2-OG1 3.45Å; Y28-T242 WeakPolarHBondContact OH-CB 3.17Å; Y28-T242 WeakPolarHBondContact OH-CG2 3.49Å; Y28-T242 PolarHBondContact OH-OG1 3Å; V238-T242 WeakPolarHBondContact O-CB 3.38Å; V238-T242 PolarHBondContact O-N 3.13Å; V238-T242 PolarHBondContact O-OG1 3.38Å; T242-L244 PolarHBondContact O-N 2.65Å; T242-L245 PolarHBondContact O-N 2.86Å; T242-L246 HydrophobicContact CG2-CD1 3.71Å; T242-L246 HydrophobicContact CG2-CG 4.1Å; T242-L246 WeakPolarHBondContact O-CB 3.5Å; T242-L246 WeakPolarHBondContact O-CG 3.31Å; T242-L246 PolarHBondContact O-N 3.11Å; T242-L327 VanDerWaalsContact OG1-CD2 3.27Å; T242-L327 WeakPolarHBondContact OG1-CD2 3.4Å
243F76.5Confident80Confident121 Ų12160 Ų6053%0.53130%0.297SS..Hα-helixtrans-56.9-48.3177.3177.9-98.2000112Y239 I240 Q247Y239-F243 WeakPolarHBondContact O-CB 3.4Å; Y239-F243 PolarHBondContact O-N 2.66Å; I240-F243 PolarHBondContact O-N 2.89Å; F243-Q247 VanDerWaalsContact CE1-CD 3.46Å; F243-Q247 HydrophobicContact CE1-CG 4.41Å; F243-Q247 HydrophobicContact CZ-CG 4.39Å; F243-Q247 WeakPolarHBondContact O-CG 3.41Å; F243-Q247 PolarHBondContact O-N 3.47Å; F243-Q247 VanDerWaalsContact O-N 3.09Å
244L78.8Confident79Confident100 Ų10060.3 Ų60.352%0.52430%0.299SS..Hα-helixtrans-66.8-40.1179.4-66.8175000112.7I240 S241 T242 Q247 H248I240-L244 HydrophobicContact CG2-CD1 4.05Å; I240-L244 WeakPolarHBondContact O-CG 3.17Å; I240-L244 PolarHBondContact O-N 3.43Å; S241-L244 PolarHBondContact O-N 2.87Å; T242-L244 PolarHBondContact O-N 2.65Å; L244-Q247 PolarHBondContact O-N 2.75Å; L244-H248 WeakPolarHBondContact O-CB 3.32Å; L244-H248 PolarHBondContact O-N 3.37Å
245L77.6Confident78.1Confident36 Ų3663.9 Ų63.919%0.18832%0.317CS..Hα-helixtrans-66.6-41.6-179.9-75.3170.9000112.1S241 T242 H248 Q249 A323 K326 L327S241-L245 WeakPolarHBondContact O-CB 3.47Å; S241-L245 VanDerWaalsContact O-CG 3.23Å; S241-L245 WeakPolarHBondContact O-CG 3.16Å; S241-L245 PolarHBondContact O-N 2.95Å; T242-L245 PolarHBondContact O-N 2.86Å; L245-H248 PolarHBondContact O-N 3.01Å; L245-Q249 PolarHBondContact O-N 3.3Å; L245-Q249 VanDerWaalsContact O-N 3.1Å; L245-A323 HydrophobicContact CB-CB 4.31Å; L245-K326 HydrophobicContact CD2-CB 4.2Å; L245-K326 HydrophobicContact CD2-CD 4.43Å; L245-L327 HydrophobicContact CD1-CB 3.67Å; L245-L327 HydrophobicContact CD1-CD1 4Å; L245-L327 HydrophobicContact CD1-CG 4.39Å
246L73.2Confident77.4Confident55 Ų5566.9 Ų66.929%0.28833%0.333SS..Hα-helixtrans-68.4-40.7177.1-67.8175.8000111.6T242 H248 Q249 H250 D320 F324T242-L246 HydrophobicContact CG2-CD1 3.71Å; T242-L246 HydrophobicContact CG2-CG 4.1Å; T242-L246 WeakPolarHBondContact O-CB 3.5Å; T242-L246 WeakPolarHBondContact O-CG 3.31Å; T242-L246 PolarHBondContact O-N 3.11Å; L246-H248 VanDerWaalsContact C-N 3.33Å; L246-H248 PolarHBondContact O-N 3.42Å; L246-Q249 PolarHBondContact O-N 2.82Å; L246-H250 PolarHBondContact O-N 2.9Å; L246-D320 HydrophobicContact CD2-CB 4.31Å; L246-F324 HydrophobicContact CD2-CE2 4.44Å
247Q75.6Confident76.7Confident106 Ų10670.1 Ų70.150%0.49535%0.35SS..Hα-helixtrans-61.4-41.2174-77.7-168.8-25.100112.6F243 L244 H251F243-Q247 VanDerWaalsContact CE1-CD 3.46Å; F243-Q247 HydrophobicContact CE1-CG 4.41Å; F243-Q247 HydrophobicContact CZ-CG 4.39Å; F243-Q247 WeakPolarHBondContact O-CG 3.41Å; F243-Q247 PolarHBondContact O-N 3.47Å; F243-Q247 VanDerWaalsContact O-N 3.09Å; L244-Q247 PolarHBondContact O-N 2.75Å; Q247-H251 PolarHBondContact O-N 3.24Å; Q247-H251 VanDerWaalsContact O-N 3.16Å
248H75.5Confident75.8Confident107 Ų10772.4 Ų72.450%0.49536%0.359SS..Hα-helixtrans-63.1-43.1177.6-179.874.2000111.7L244 L245 L246 H251 V252L244-H248 WeakPolarHBondContact O-CB 3.32Å; L244-H248 PolarHBondContact O-N 3.37Å; L245-H248 PolarHBondContact O-N 3.01Å; L246-H248 VanDerWaalsContact C-N 3.33Å; L246-H248 PolarHBondContact O-N 3.42Å; H248-H251 PolarHBondContact O-N 3.26Å; H248-V252 WeakPolarHBondContact O-CG2 3.46Å; H248-V252 PolarHBondContact O-N 3.06Å; H248-V252 VanDerWaalsContact O-N 3.09Å
249Q71.7Confident75.1Confident22 Ų2276.5 Ų76.510%0.10338%0.381CS..Hα-helixtrans-64.8-44.8179.7-166.668.3-8.100111.8L245 L246 H251 V252 D253 D319L245-Q249 PolarHBondContact O-N 3.3Å; L245-Q249 VanDerWaalsContact O-N 3.1Å; L246-Q249 PolarHBondContact O-N 2.82Å; Q249-H251 PolarHBondContact O-N 3.12Å; Q249-V252 WeakPolarHBondContact O-CB 3.42Å; Q249-V252 PolarHBondContact O-N 2.78Å; Q249-D253 PolarHBondContact O-N 3.21Å; Q249-D319 PolarHBondContact NE2-O 3.03Å
250H69.2Low74.8Confident109 Ų10977.6 Ų77.651%0.50539%0.391SS..Hα-helixtrans-56.9-35.7174.3-176.2-96.2000112.7L246 N254L246-H250 PolarHBondContact O-N 2.9Å; H250-N254 PolarHBondContact CE1-ND2 3.01Å; H250-N254 PolarHBondContact ND1-ND2 3.36Å; H250-N254 WeakPolarHBondContact O-CB 3.48Å; H250-N254 PolarHBondContact O-N 2.91Å; H250-N254 PolarHBondContact O-ND2 3.43Å
251H70.1Confident74.3Confident118 Ų11877.8 Ų77.855%0.54639%0.392SS..Hα-helixtrans-71.3-35.2175.1-164.4-58.7000112.8Q247 H248 Q249 N255Q247-H251 PolarHBondContact O-N 3.24Å; Q247-H251 VanDerWaalsContact O-N 3.16Å; H248-H251 PolarHBondContact O-N 3.26Å; Q249-H251 PolarHBondContact O-N 3.12Å; H251-N255 PolarHBondContact CE1-ND2 3.19Å; H251-N255 PolarHBondContact ND1-ND2 3.21Å; H251-N255 VanDerWaalsContact O-CG 3.29Å; H251-N255 PolarHBondContact O-N 3.42Å; H251-N255 PolarHBondContact O-ND2 3.02Å
252V72.7Confident73.6Confident47 Ų4783.9 Ų83.929%0.28541%0.412SS..Hα-helixtrans-67.8-45176.9171.90000110.9H248 Q249 N254 N255 N256H248-V252 WeakPolarHBondContact O-CG2 3.46Å; H248-V252 PolarHBondContact O-N 3.06Å; H248-V252 VanDerWaalsContact O-N 3.09Å; Q249-V252 WeakPolarHBondContact O-CB 3.42Å; Q249-V252 PolarHBondContact O-N 2.78Å; V252-N254 PolarHBondContact O-N 3.3Å; V252-N255 PolarHBondContact O-N 3.49Å; V252-N256 PolarHBondContact O-N 2.92Å
253D70.9Confident73.1Confident50 Ų5088 Ų8827%0.26743%0.433SS..Hα-helixtrans-65.8-40.3-178.8-65.3-26.5000111.7Q249 N255 N256 N257Q249-D253 PolarHBondContact O-N 3.21Å; D253-N255 PolarHBondContact O-N 3.3Å; D253-N256 PolarHBondContact O-N 3.45Å; D253-N257 WeakPolarHBondContact O-CB 3.33Å; D253-N257 PolarHBondContact O-N 3.38Å
254N74.8Confident72.5Confident78 Ų7886.9 Ų86.942%0.41743%0.433SS..Hα-helixtrans-62.4-40.5173.5-78.4-41.3000112.6H250 V252 H258H250-N254 PolarHBondContact CE1-ND2 3.01Å; H250-N254 PolarHBondContact ND1-ND2 3.36Å; H250-N254 WeakPolarHBondContact O-CB 3.48Å; H250-N254 PolarHBondContact O-N 2.91Å; H250-N254 PolarHBondContact O-ND2 3.43Å; V252-N254 PolarHBondContact O-N 3.3Å; N254-H258 WeakPolarHBondContact O-CB 3.37Å; N254-H258 PolarHBondContact O-N 3.35Å
255N75.3Confident71.9Confident80 Ų8084.8 Ų84.843%0.42842%0.424SS..Hα-helixtrans-65.4-42.2176.2-77.6-12.8000112.1H251 V252 D253 H258 N259H251-N255 PolarHBondContact CE1-ND2 3.19Å; H251-N255 PolarHBondContact ND1-ND2 3.21Å; H251-N255 VanDerWaalsContact O-CG 3.29Å; H251-N255 PolarHBondContact O-N 3.42Å; H251-N255 PolarHBondContact O-ND2 3.02Å; V252-N255 PolarHBondContact O-N 3.49Å; D253-N255 PolarHBondContact O-N 3.3Å; N255-H258 PolarHBondContact O-N 3.37Å; N255-N259 WeakPolarHBondContact O-CB 3.23Å; N255-N259 VanDerWaalsContact O-CG 3.3Å; N255-N259 PolarHBondContact O-N 3.29Å; N255-N259 PolarHBondContact O-ND2 2.94Å
256N74.1Confident71.2Confident81 Ų8187.2 Ų87.243%0.43344%0.438SS..Hα-helixtrans-64.7-44.4177.6-73.6-20.5000111.6V252 D253 H258 N259 N260V252-N256 PolarHBondContact O-N 2.92Å; D253-N256 PolarHBondContact O-N 3.45Å; N256-H258 PolarHBondContact O-N 3.47Å; N256-N259 PolarHBondContact O-N 3.31Å; N256-N260 WeakPolarHBondContact O-CB 3.48Å; N256-N260 VanDerWaalsContact O-CG 3.3Å; N256-N260 PolarHBondContact O-N 3.48Å; N256-N260 PolarHBondContact O-ND2 2.83Å
257N73.3Confident70.4Confident92 Ų9289 Ų8949%0.49245%0.446SS..Hα-helixtrans-62.2-42.5175.1-76.3-17.5000111.7D253 N259 N260 I261D253-N257 WeakPolarHBondContact O-CB 3.33Å; D253-N257 PolarHBondContact O-N 3.38Å; N257-N259 PolarHBondContact O-N 2.81Å; N257-N260 PolarHBondContact O-N 3.5Å; N257-I261 WeakPolarHBondContact O-CB 3.31Å; N257-I261 VanDerWaalsContact O-CG1 3.24Å; N257-I261 WeakPolarHBondContact O-CG1 3.39Å; N257-I261 PolarHBondContact O-N 3.45Å
258H70.6Confident69.2Low122 Ų12291.4 Ų91.457%0.56545%0.451SS*.Hα-helixtrans-64.1-39.5177.2-163.464.2000112.3N254 N255 N256 R262N254-H258 WeakPolarHBondContact O-CB 3.37Å; N254-H258 PolarHBondContact O-N 3.35Å; N255-H258 PolarHBondContact O-N 3.37Å; N256-H258 PolarHBondContact O-N 3.47Å; H258-R262 VanDerWaalsContact O-CB 3.29Å; H258-R262 WeakPolarHBondContact O-CB 3.43Å; H258-R262 PolarHBondContact O-N 3.49Å
259N73.2Confident68.2Low86 Ų8691.4 Ų91.446%0.4645%0.454SS..Hα-helixtrans-67.7-40.1175.2-73.2-21.4000112.7N255 N256 N257 R262 N263N255-N259 WeakPolarHBondContact O-CB 3.23Å; N255-N259 VanDerWaalsContact O-CG 3.3Å; N255-N259 PolarHBondContact O-N 3.29Å; N255-N259 PolarHBondContact O-ND2 2.94Å; N256-N259 PolarHBondContact O-N 3.31Å; N257-N259 PolarHBondContact O-N 2.81Å; N259-R262 PolarHBondContact O-N 3.32Å; N259-N263 WeakPolarHBondContact O-CB 3.38Å; N259-N263 VanDerWaalsContact O-CG 3.25Å; N259-N263 PolarHBondContact O-N 3.44Å; N259-N263 PolarHBondContact O-ND2 3.03Å
260N72.8Confident67.4Low92 Ų9294.9 Ų94.949%0.49248%0.481SS..Hα-helixtrans-65-45.1175.5-73.1-17000111.4N256 N257 R262 N263 D264N256-N260 WeakPolarHBondContact O-CB 3.48Å; N256-N260 VanDerWaalsContact O-CG 3.3Å; N256-N260 PolarHBondContact O-N 3.48Å; N256-N260 PolarHBondContact O-ND2 2.83Å; N257-N260 PolarHBondContact O-N 3.5Å; N260-R262 VanDerWaalsContact C-N 3.31Å; N260-R262 PolarHBondContact O-N 3.11Å; N260-N263 PolarHBondContact O-N 3.01Å; N260-D264 WeakPolarHBondContact O-CB 3.25Å; N260-D264 PolarHBondContact O-N 2.99Å
261I73.5Confident66.3Low102 Ų10296.4 Ų96.452%0.52349%0.49SS..Hα-helixtrans-59.9-43.6173.8-67.7165.1000110.1N257 N263 D264 T265N257-I261 WeakPolarHBondContact O-CB 3.31Å; N257-I261 VanDerWaalsContact O-CG1 3.24Å; N257-I261 WeakPolarHBondContact O-CG1 3.39Å; N257-I261 PolarHBondContact O-N 3.45Å; I261-N263 VanDerWaalsContact C-N 3.33Å; I261-N263 PolarHBondContact O-N 3.39Å; I261-D264 PolarHBondContact O-N 3.18Å; I261-T265 HydrophobicContact CG2-CG2 4.29Å; I261-T265 WeakPolarHBondContact O-CG2 3.42Å; I261-T265 PolarHBondContact O-N 2.95Å; I261-T265 PolarHBondContact O-OG1 3.06Å; I261-T265 VanDerWaalsContact O-OG1 3.12Å
262R68.5Low65.3Low154 Ų15493.5 Ų93.558%0.58148%0.483SS*.Hα-helixtrans-63.7-37.6178.1-167.8176-176179.11112.4H258 N259 N260 T265 N266H258-R262 VanDerWaalsContact O-CB 3.29Å; H258-R262 WeakPolarHBondContact O-CB 3.43Å; H258-R262 PolarHBondContact O-N 3.49Å; N259-R262 PolarHBondContact O-N 3.32Å; N260-R262 VanDerWaalsContact C-N 3.31Å; N260-R262 PolarHBondContact O-N 3.11Å; R262-T265 VanDerWaalsContact CA-OG1 3.29Å; R262-T265 WeakPolarHBondContact CA-OG1 3.32Å; R262-T265 PolarHBondContact O-OG1 3.24Å; R262-N266 WeakPolarHBondContact O-CB 3.42Å; R262-N266 PolarHBondContact O-N 3.35Å; R262-N266 PolarHBondContact O-ND2 3.38Å; R262-N266 PolarHBondContact O-OD1 3.38Å
263N67.2Low64.1Low89 Ų8999.6 Ų99.648%0.47651%0.514SS..Hα-helixtrans-69-43.5174.6-72.5-15.9000111.4N259 N260 I261 T265 N266 I267N259-N263 WeakPolarHBondContact O-CB 3.38Å; N259-N263 VanDerWaalsContact O-CG 3.25Å; N259-N263 PolarHBondContact O-N 3.44Å; N259-N263 PolarHBondContact O-ND2 3.03Å; N260-N263 PolarHBondContact O-N 3.01Å; I261-N263 VanDerWaalsContact C-N 3.33Å; I261-N263 PolarHBondContact O-N 3.39Å; N263-T265 VanDerWaalsContact C-N 3.33Å; N263-T265 PolarHBondContact O-N 2.95Å; N263-N266 PolarHBondContact O-N 3.4Å; N263-I267 WeakPolarHBondContact O-CB 3.4Å; N263-I267 VanDerWaalsContact O-CG1 3.25Å; N263-I267 WeakPolarHBondContact O-CG1 3.2Å; N263-I267 PolarHBondContact O-N 3.32Å
264D64.5Low62.8Low98 Ų98105 Ų10552%0.52454%0.54SS..Hα-helixtrans-63.9-37.5174.7-79.1-19.4000111.9N260 I261 R268N260-D264 WeakPolarHBondContact O-CB 3.25Å; N260-D264 PolarHBondContact O-N 2.99Å; I261-D264 PolarHBondContact O-N 3.18Å; D264-R268 VanDerWaalsContact O-CB 3.22Å; D264-R268 WeakPolarHBondContact O-CB 3.49Å; D264-R268 WeakPolarHBondContact O-CG 3.5Å; D264-R268 PolarHBondContact O-N 3.35Å
265T64.9Low61.2Low57 Ų57108.6 Ų108.635%0.3556%0.558SS.*Hα-helixtrans-69.5-40173.154.90000111.3I261 R262 N263 I267 R268 D269I261-T265 HydrophobicContact CG2-CG2 4.29Å; I261-T265 WeakPolarHBondContact O-CG2 3.42Å; I261-T265 PolarHBondContact O-N 2.95Å; I261-T265 PolarHBondContact O-OG1 3.06Å; I261-T265 VanDerWaalsContact O-OG1 3.12Å; R262-T265 VanDerWaalsContact CA-OG1 3.29Å; R262-T265 WeakPolarHBondContact CA-OG1 3.32Å; R262-T265 PolarHBondContact O-OG1 3.24Å; N263-T265 VanDerWaalsContact C-N 3.33Å; N263-T265 PolarHBondContact O-N 2.95Å; T265-I267 PolarHBondContact O-N 3.46Å; T265-R268 CarbonylContact O-C 3.55Å; T265-R268 PolarHBondContact O-N 2.95Å; T265-D269 VanDerWaalsContact O-CB 3.24Å; T265-D269 WeakPolarHBondContact O-CB 3.48Å; T265-D269 PolarHBondContact O-N 3.33Å
266N63.5Low59.7Low87 Ų87110.3 Ų110.347%0.46557%0.574SS.*Hα-helixtrans-65.4-39175.9-71.4-15.1000111.8R262 N263 S270R262-N266 WeakPolarHBondContact O-CB 3.42Å; R262-N266 PolarHBondContact O-N 3.35Å; R262-N266 PolarHBondContact O-ND2 3.38Å; R262-N266 PolarHBondContact O-OD1 3.38Å; N263-N266 PolarHBondContact O-N 3.4Å; N266-S270 WeakPolarHBondContact O-CB 3.3Å; N266-S270 PolarHBondContact O-N 3.48Å; N266-S270 PolarHBondContact O-OG 3.05Å
267I57.3Low57.9Low91 Ų91114.8 Ų114.847%0.46760%0.597SS.*Hα-helixtrans-66.1-44.6173.4-67.6165.9000109.7N263 T265 S270 M271N263-I267 WeakPolarHBondContact O-CB 3.4Å; N263-I267 VanDerWaalsContact O-CG1 3.25Å; N263-I267 WeakPolarHBondContact O-CG1 3.2Å; N263-I267 PolarHBondContact O-N 3.32Å; T265-I267 PolarHBondContact O-N 3.46Å; I267-S270 PolarHBondContact O-N 3.21Å; I267-S270 PolarHBondContact O-OG 2.87Å; I267-M271 HydrophobicContact CG2-SD 3.91Å; I267-M271 WeakPolarHBondContact O-CB 3.21Å; I267-M271 VanDerWaalsContact O-CG 3.31Å; I267-M271 WeakPolarHBondContact O-CG 3.3Å; I267-M271 PolarHBondContact O-N 3.41Å
268R49.3Very low56.2Low157 Ų157121 Ų12159%0.59261%0.614SS**Hα-helixtrans-67.1-38.1176.8-74.9173.7100.2166.411.3112.4D264 T265 S270 M271 S272D264-R268 VanDerWaalsContact O-CB 3.22Å; D264-R268 WeakPolarHBondContact O-CB 3.49Å; D264-R268 WeakPolarHBondContact O-CG 3.5Å; D264-R268 PolarHBondContact O-N 3.35Å; T265-R268 CarbonylContact O-C 3.55Å; T265-R268 PolarHBondContact O-N 2.95Å; R268-S270 VanDerWaalsContact C-N 3.3Å; R268-M271 CarbonylContact O-C 3.32Å; R268-M271 VanDerWaalsContact O-C 3.29Å; R268-M271 WeakPolarHBondContact O-CA 3.2Å; R268-M271 PolarHBondContact O-N 2.99Å; R268-S272 WeakPolarHBondContact O-CA 3.13Å; R268-S272 WeakPolarHBondContact O-CB 3.46Å; R268-S272 PolarHBondContact O-N 2.88Å; R268-S272 PolarHBondContact O-OG 3.47Å
269D55.6Low54.6Low107 Ų107125.6 Ų125.657%0.57263%0.632SS**Hα-helixtrans-66.8-35.9175.7-71-20.8000109.8T265 M271 S272T265-D269 VanDerWaalsContact O-CB 3.24Å; T265-D269 WeakPolarHBondContact O-CB 3.48Å; T265-D269 PolarHBondContact O-N 3.33Å; D269-M271 PolarHBondContact O-N 3.42Å; D269-S272 PolarHBondContact O-N 3.22Å
270S54.1Low52.6Low95 Ų95129.3 Ų129.366%0.66465%0.651SS**Hα-helixtrans-67.2-20.3168.878.50000114N266 I267 R268N266-S270 WeakPolarHBondContact O-CB 3.3Å; N266-S270 PolarHBondContact O-N 3.48Å; N266-S270 PolarHBondContact O-OG 3.05Å; I267-S270 PolarHBondContact O-N 3.21Å; I267-S270 PolarHBondContact O-OG 2.87Å; R268-S270 VanDerWaalsContact C-N 3.3Å
271M46.6Very low50.7Low142 Ų142132.7 Ų132.770%0.767%0.668SS**Hα-helixtrans-104.5-9.3178.4-68.7175.487.200113.8I267 R268 D269I267-M271 HydrophobicContact CG2-SD 3.91Å; I267-M271 WeakPolarHBondContact O-CB 3.21Å; I267-M271 VanDerWaalsContact O-CG 3.31Å; I267-M271 WeakPolarHBondContact O-CG 3.3Å; I267-M271 PolarHBondContact O-N 3.41Å; R268-M271 CarbonylContact O-C 3.32Å; R268-M271 VanDerWaalsContact O-C 3.29Å; R268-M271 WeakPolarHBondContact O-CA 3.2Å; R268-M271 PolarHBondContact O-N 2.99Å; D269-M271 PolarHBondContact O-N 3.42Å
272S47.6Very low48.5Very low57 Ų57135.7 Ų135.740%0.39969%0.685SS.*  trans-122.931.1-166.868.60000114.7R268 D269 M274R268-S272 WeakPolarHBondContact O-CA 3.13Å; R268-S272 WeakPolarHBondContact O-CB 3.46Å; R268-S272 PolarHBondContact O-N 2.88Å; R268-S272 PolarHBondContact O-OG 3.47Å; D269-S272 PolarHBondContact O-N 3.22Å; S272-M274 PolarHBondContact O-N 2.93Å
273D48.3Very low46.5Very low174 Ų174137 Ų13793%0.9369%0.691SS**SBendtrans-53.3-4.2138.5-86.7-19.9000112.3
274M44.3Very low44.7Very low163 Ų163140.9 Ų140.980%0.80371%0.712SS**SBendtrans-109.291.3170-146.1178.2179.200112.4S272S272-M274 PolarHBondContact O-N 2.93Å
275L40.5Very low43Very low154 Ų154143.2 Ų143.281%0.80672%0.72SS**  trans77.8118.2153.4-123.880.8000120.9
276P43.1Very low41.2Very low116 Ų116146 Ų14675%0.75374%0.736SS**  trans-102.1111.6-178.336-27000112.8
277L37.3Very low39.4Very low176 Ų176150.9 Ų150.992%0.92176%0.756SS**  trans-154.729165.9-145.674.7000116.1
278R37.3Very low38Very low223 Ų223156.4 Ų156.484%0.84277%0.773SS**  trans-112.90.8-179.2-144.2177.8-158.2-140.14.9116.6L280R278-L280 PolarHBondContact O-N 3.17Å
279K37.5Very low36.9Very low217 Ų217156.8 Ų156.894%0.94378%0.783SS**THydrogen-bonded Turntrans-86.212.3-174.4-91.2-174.1178.6175.90116.4
280L31.7Very low35.4Very low164 Ų164160.5 Ų160.586%0.85980%0.799SS**THydrogen-bonded Turntrans-117.79.5-170.1-107.4147.7000117.2R278R278-L280 PolarHBondContact O-N 3.17Å
281L31.4Very low34Very low164 Ų164162.8 Ų162.886%0.85980%0.803SS**SBendtrans-129.534.8-174.6-71.4176.2000116.4
282N27.7Very low33.2Very low165 Ų165161.9 Ų161.988%0.88281%0.808SS**  trans-146.883.1167-117.67.1000112.2
283Y26.1Very low32.3Very low182 Ų182163 Ų16371%0.71481%0.808SS**  trans-144.898.5157.7-146.8-85.7000106.9E285Y283-E285 HydrophobicContact CE1-CG 4.27Å
284N30.6Very low31.3Very low169 Ų169157.8 Ų157.890%0.90478%0.782SS**  trans-153.6100.5158.5-91-18.9000107.1
285E28.6Very low30.4Very low148 Ų148158.8 Ų158.869%0.69279%0.787SS**  trans-72.1135175.3-71.4-179.5133.100111.5Y283Y283-E285 HydrophobicContact CE1-CG 4.27Å
286V27.5Very low29.8Very low114 Ų114158 Ų15869%0.69179%0.789SS**  trans27.3110.4130.2-167.90000118.1Y288V286-Y288 HydrophobicContact CG1-CD2 3.59Å; V286-Y288 HydrophobicContact CG1-CE2 3.62Å
287E25.5Very low29Very low190 Ų190157.2 Ų157.289%0.88879%0.786SS**  trans-138.4105.8149.3-154.8173.8-165.900110.2M289E287-M289 PolarHBondContact O-N 2.9Å; E287-M289 VanDerWaalsContact O-N 3.09Å
288Y27.6Very low28.3Very low208 Ų208157.2 Ų157.282%0.81678%0.781SS**  trans-73.592.9173-76.3-86.9000109.3V286 M290V286-Y288 HydrophobicContact CG1-CD2 3.59Å; V286-Y288 HydrophobicContact CG1-CE2 3.62Å; Y288-M290 PolarHBondContact O-N 3.3Å; Y288-M290 VanDerWaalsContact O-N 3.12Å
289M26.8Very low28.1Very low165 Ų165152.2 Ų152.281%0.81378%0.778SS**  trans-72.4101.5177.4-151.8175.9178.400110.2E287 L291E287-M289 PolarHBondContact O-N 2.9Å; E287-M289 VanDerWaalsContact O-N 3.09Å; M289-L291 PolarHBondContact O-N 3.37Å
290M23.4Very low27.5Very low184 Ų184150.1 Ų150.191%0.90678%0.776SS**  trans-65.6113.5167.9-73.1-177.4-79.900109.6Y288Y288-M290 PolarHBondContact O-N 3.3Å; Y288-M290 VanDerWaalsContact O-N 3.12Å
291L25.8Very low27.2Very low143 Ų143146.8 Ų146.875%0.74977%0.766SS**  trans-85.8143.2176.3-12888.1000111.7M289M289-L291 PolarHBondContact O-N 3.37Å
292P29Very low26.9Very low124 Ų124149 Ų14981%0.80577%0.769SS**  trans-73.7162.8-170.8-1429.6000115.9
293M28.8Very low26.8Very low80 Ų80145.9 Ų145.939%0.39476%0.759SS.*  trans-104.7145.6-155.6-176.1175.6170.300114.2N477 P478 P479M293-N477 HydrophobicContact CE-CB 4.4Å; M293-N477 VanDerWaalsContact CE-OD1 3.24Å; M293-N477 WeakPolarHBondContact CE-OD1 3.27Å; M293-N477 PolarHBondContact SD-OD1 3.16Å; M293-P478 VanDerWaalsContact SD-CA 3.56Å; M293-P478 HydrophobicContact SD-CB 3.86Å; M293-P479 HydrophobicContact CE-CG 3.82Å
294V27.1Very low26.8Very low64 Ų64142.6 Ų142.639%0.38876%0.763SS.*  trans39.2104.4152.3-177.10000118L549V294-L549 HydrophobicContact CG2-CD2 4.32Å
295M26.1Very low26.6Very low184 Ų184141.8 Ų141.891%0.90676%0.758SS**  trans-96.5127.8148.3-73.9-153144.500109.8S297M295-S297 PolarHBondContact O-N 3.1Å
296T26.3Very low26.5Very low137 Ų137141.5 Ų141.584%0.8476%0.762SS**  trans-70.7110.3171.450.40000109.2
297S26.2Very low26.3Very low100 Ų100141.7 Ų141.770%0.69977%0.768SS**  trans-130.4137.3168.860.80000112M295M295-S297 PolarHBondContact O-N 3.1Å
298H24.5Very low26.4Very low176 Ų176139.7 Ų139.782%0.81576%0.762SS**  trans-51.5160.8-178.4-110.1-94.9000114.8L300H298-L300 VanDerWaalsContact C-N 3.28Å; H298-L300 PolarHBondContact O-N 2.94Å
299P32.3Very low26.3Very low119 Ų119134.9 Ų134.977%0.77376%0.759SS**SBendtrans-72.517.6-160.2-16.230.4000118.6
300L23.9Very low26.3Very low173 Ų173131.8 Ų131.891%0.90675%0.753SS**  trans-136.941.7-165.4-79.3164000115.5H298H298-L300 VanDerWaalsContact C-N 3.28Å; H298-L300 PolarHBondContact O-N 2.94Å
301S26Very low26.6Very low93 Ų93127.6 Ų127.665%0.6574%0.74SS**  trans-114.6111.5165.463.40000111.3C303S301-C303 PolarHBondContact O-N 2.83Å
302K24.8Very low27.3Very low210 Ų210126.9 Ų126.991%0.91375%0.747SS**  trans-45.5126.9175.7-78.1171.5173.2174.70112.3S304K302-S304 PolarHBondContact O-N 3.39Å
303C26.5Very low27.8Very low100 Ų100125.9 Ų125.968%0.67673%0.734SS**  trans-64.2120.8174.7-650000111S301S301-C303 PolarHBondContact O-N 2.83Å
304S25.4Very low28.6Very low113 Ų113126.5 Ų126.579%0.7974%0.738SS**  trans-88.2128.9166.5-170.40000109.2K302 N306K302-S304 PolarHBondContact O-N 3.39Å; S304-N306 PolarHBondContact O-N 3.38Å
305N25.8Very low29.9Very low152 Ų152130.4 Ų130.481%0.81376%0.756SS**  trans-67105.2179-75.5-25.3000110.3
306N27Very low31.6Very low143 Ų143123 Ų12377%0.76572%0.719SS**  trans-124.698152.6-89.4-19.5000108.2S304 I308S304-N306 PolarHBondContact O-N 3.38Å; N306-I308 VanDerWaalsContact C-N 3.25Å; N306-I308 PolarHBondContact O-N 2.89Å
307S24.5Very low33.6Very low118 Ų118117.5 Ų117.583%0.82569%0.69SS**  trans-61.485.2166.750.80000109.4S309S307-S309 PolarHBondContact O-N 3.24Å; S307-S309 VanDerWaalsContact O-N 3.14Å
308I27.1Very low35.8Very low147 Ų147117.9 Ų117.975%0.75468%0.679SS**  trans-75.798.2162.3-63.1173.1000105.7N306 S310N306-I308 VanDerWaalsContact C-N 3.25Å; N306-I308 PolarHBondContact O-N 2.89Å; I308-S310 PolarHBondContact O-N 3.49Å
309S24.7Very low38.3Very low108 Ų108114.7 Ų114.776%0.75567%0.668SS**  trans-51.8104.6165.442.90000108.7S307S307-S309 PolarHBondContact O-N 3.24Å; S307-S309 VanDerWaalsContact O-N 3.14Å
310S27.3Very low40.6Very low100 Ų100110 Ų11070%0.69964%0.636SS**  trans-63.8122.8174.8-40.10000108.1I308I308-S310 PolarHBondContact O-N 3.49Å
311P30.5Very low43.4Very low96 Ų96102.8 Ų102.862%0.62360%0.598SS**  trans-62.6153.2171.828.6-32.5000108.8I313P311-I313 VanDerWaalsContact O-CG1 3.26Å; P311-I313 WeakPolarHBondContact O-CG1 3.26Å; P311-I313 PolarHBondContact O-N 3.09Å
312S40.1Very low46.1Very low128 Ų128100.8 Ų100.890%0.89558%0.583SS**  trans-45.195.2-178.748.20000113.8
313I38.8Very low48.9Very low103 Ų10391 Ų9153%0.52854%0.541SS..  trans-104.51.8-177.5-77.6159.8000113P311 K424P311-I313 VanDerWaalsContact O-CG1 3.26Å; P311-I313 WeakPolarHBondContact O-CG1 3.26Å; P311-I313 PolarHBondContact O-N 3.09Å; I313-K424 PolarHBondContact O-NZ 2.91Å
314I45.6Very low51.7Low93 Ų9386.3 Ų86.348%0.47751%0.51SS..  trans-102.197-177.6-60176.6000108.3F35 F316F35-I314 HydrophobicContact CD1-CG2 4.06Å; F35-I314 HydrophobicContact CD2-CG2 3.98Å; F35-I314 HydrophobicContact CE1-CB 4.25Å; F35-I314 HydrophobicContact CE1-CD1 3.59Å; F35-I314 HydrophobicContact CE1-CG1 4.49Å; F35-I314 HydrophobicContact CE1-CG2 4.07Å; F35-I314 HydrophobicContact CE2-CD1 3.68Å; F35-I314 HydrophobicContact CE2-CG2 3.98Å; F35-I314 HydrophobicContact CG-CG2 4.03Å; F35-I314 HydrophobicContact CZ-CB 4.38Å; F35-I314 HydrophobicContact CZ-CD1 3.05Å; F35-I314 HydrophobicContact CZ-CG1 4.24Å; F35-I314 HydrophobicContact CZ-CG2 4.05Å; I314-F316 HydrophobicContact CG2-CB 3.71Å; I314-F316 PolarHBondContact O-N 3.38Å
315D54.7Low54.7Low145 Ų14583.4 Ų83.478%0.77548%0.484SS*.  trans-7152.6170.9-173.832.4000110.6
316F61.3Low57.7Low28 Ų2880.7 Ų80.712%0.12346%0.464CS..  trans-148.3125-179.4-169-75.4000108.1V31 F35 I314 D320 F324V31-F316 HydrophobicContact CB-CZ 4.5Å; V31-F316 HydrophobicContact CG1-CB 4.39Å; V31-F316 HydrophobicContact CG1-CD1 3.68Å; V31-F316 HydrophobicContact CG1-CD2 3.75Å; V31-F316 HydrophobicContact CG1-CE1 3.69Å; V31-F316 HydrophobicContact CG1-CE2 3.72Å; V31-F316 HydrophobicContact CG1-CG 3.68Å; V31-F316 HydrophobicContact CG1-CZ 3.67Å; F35-F316 HydrophobicContact CB-CD1 3.57Å; F35-F316 HydrophobicContact CB-CE1 4.21Å; F35-F316 HydrophobicContact CB-CG 4.49Å; I314-F316 HydrophobicContact CG2-CB 3.71Å; I314-F316 PolarHBondContact O-N 3.38Å; F316-D320 WeakPolarHBondContact CA-OD2 3.49Å; F316-D320 HydrophobicContact CE2-CB 4.37Å; F316-D320 HydrophobicContact CZ-CB 4.41Å; F316-F324 HydrophobicContact CD2-CE2 4.39Å; F316-F324 HydrophobicContact CE1-CE2 4.26Å; F316-F324 HydrophobicContact CE2-CD2 4.24Å; F316-F324 AromaticContact CE2-CE2 3.12Å; F316-F324 HydrophobicContact CE2-CE2 3.12Å; F316-F324 AromaticContact CE2-CZ 3.36Å; F316-F324 HydrophobicContact CE2-CZ 3.36Å; F316-F324 AromaticContact CZ-CD2 3.78Å; F316-F324 HydrophobicContact CZ-CD2 3.78Å; F316-F324 HydrophobicContact CZ-CE1 4.48Å; F316-F324 AromaticContact CZ-CE2 3.04Å; F316-F324 HydrophobicContact CZ-CE2 3.04Å; F316-F324 AromaticContact CZ-CZ 3.46Å; F316-F324 HydrophobicContact CZ-CZ 3.46Å; F316-F324 VanDerWaalsContact CZ-CZ 3.46Å
317G68.6Low60.7Low22 Ų2274 Ų7423%0.22743%0.429CS..  trans-147-163.4-17300000114.2D319 D320G317-D319 PolarHBondContact O-N 3.35Å; G317-D320 PolarHBondContact N-OD2 3.04Å; G317-D320 PolarHBondContact O-N 3.41Å
318K72.2Confident63.8Low108 Ų10868.4 Ų68.447%0.4739%0.39SS..G310 helixtrans-62.9-28.6175.8-75.5176.3178.1-179.60112.2G36 D320 I321G36-K318 VanDerWaalsContact O-CG 3.23Å; G36-K318 WeakPolarHBondContact O-CG 3.32Å; K318-D320 PolarHBondContact O-N 2.83Å; K318-I321 HydrophobicContact CB-CD1 4.32Å; K318-I321 HydrophobicContact CG-CD1 4.43Å; K318-I321 WeakPolarHBondContact O-CB 3.37Å; K318-I321 WeakPolarHBondContact O-CD1 3.23Å; K318-I321 VanDerWaalsContact O-CG1 3.27Å; K318-I321 WeakPolarHBondContact O-CG1 3.25Å; K318-I321 PolarHBondContact O-N 2.92Å
319D76.8Confident66.9Low109 Ų10967.8 Ų67.858%0.58338%0.382SS*.G310 helixtrans-70.9-18.1-176.3-54.9-41.5000112.7Q249 G317 P322Q249-D319 PolarHBondContact NE2-O 3.03Å; G317-D319 PolarHBondContact O-N 3.35Å; D319-P322 VanDerWaalsContact O-CD 3.28Å; D319-P322 WeakPolarHBondContact O-CD 3.24Å
320D80.4Confident70.1Confident22 Ų2265.8 Ų65.812%0.11837%0.365CS..G310 helixtrans-86-13.9176.4-58.9-64.3000113.4L246 F316 G317 K318 P322 A323 F324L246-D320 HydrophobicContact CD2-CB 4.31Å; F316-D320 WeakPolarHBondContact CA-OD2 3.49Å; F316-D320 HydrophobicContact CE2-CB 4.37Å; F316-D320 HydrophobicContact CZ-CB 4.41Å; G317-D320 PolarHBondContact N-OD2 3.04Å; G317-D320 PolarHBondContact O-N 3.41Å; K318-D320 PolarHBondContact O-N 2.83Å; D320-P322 VanDerWaalsContact C-N 3.3Å; D320-A323 WeakPolarHBondContact O-CA 3.11Å; D320-A323 VanDerWaalsContact O-CB 3.26Å; D320-A323 WeakPolarHBondContact O-CB 3.13Å; D320-A323 PolarHBondContact O-N 2.95Å; D320-F324 HydrophobicContact CB-CD2 4.44Å; D320-F324 HydrophobicContact CB-CE2 4.29Å; D320-F324 WeakPolarHBondContact O-CD2 3.26Å; D320-F324 PolarHBondContact O-N 3.14Å
321I82.4Confident73.2Confident21 Ų2161.3 Ų61.311%0.10833%0.334CS..Hα-helixtrans-51-43.9-179.5-66.9169.6000112.2F32 G36 I37 K318 A323 F324 Q325F32-I321 HydrophobicContact CE2-CG1 4.25Å; F32-I321 HydrophobicContact CE2-CG2 4.26Å; G36-I321 WeakPolarHBondContact O-CD1 3.31Å; I37-I321 HydrophobicContact CD1-CD1 4.05Å; K318-I321 HydrophobicContact CB-CD1 4.32Å; K318-I321 HydrophobicContact CG-CD1 4.43Å; K318-I321 WeakPolarHBondContact O-CB 3.37Å; K318-I321 WeakPolarHBondContact O-CD1 3.23Å; K318-I321 VanDerWaalsContact O-CG1 3.27Å; K318-I321 WeakPolarHBondContact O-CG1 3.25Å; K318-I321 PolarHBondContact O-N 2.92Å; I321-A323 VanDerWaalsContact C-N 3.27Å; I321-A323 PolarHBondContact O-N 3.24Å; I321-F324 PolarHBondContact O-N 3.25Å; I321-F324 VanDerWaalsContact O-N 3.14Å; I321-Q325 WeakPolarHBondContact O-CG 3.4Å; I321-Q325 PolarHBondContact O-N 3.13Å
322P84.7Confident76.2Confident50 Ų5057.8 Ų57.833%0.32531%0.309SS..Hα-helixtrans-61.2-32.8176.1-23.235.7000113.5D319 D320 Q325 K326D319-P322 VanDerWaalsContact O-CD 3.28Å; D319-P322 WeakPolarHBondContact O-CD 3.24Å; D320-P322 VanDerWaalsContact C-N 3.3Å; P322-Q325 PolarHBondContact O-N 3.17Å; P322-K326 VanDerWaalsContact O-CG 3.32Å; P322-K326 WeakPolarHBondContact O-CG 3.46Å; P322-K326 PolarHBondContact O-N 3.17Å
323A83.6Confident78.8Confident5 Ų553.9 Ų53.94%0.04129%0.289CS..Hα-helixtrans-65.9-40.7175.100000111L245 D320 I321 K326 L327L245-A323 HydrophobicContact CB-CB 4.31Å; D320-A323 WeakPolarHBondContact O-CA 3.11Å; D320-A323 VanDerWaalsContact O-CB 3.26Å; D320-A323 WeakPolarHBondContact O-CB 3.13Å; D320-A323 PolarHBondContact O-N 2.95Å; I321-A323 VanDerWaalsContact C-N 3.27Å; I321-A323 PolarHBondContact O-N 3.24Å; A323-K326 PolarHBondContact O-N 2.8Å; A323-L327 WeakPolarHBondContact O-CB 3.17Å; A323-L327 PolarHBondContact O-N 3.34Å
324F84.9Confident81.5Confident2 Ų251.7 Ų51.71%0.00928%0.28CS..Hα-helixtrans-64.8-38.4174.3-79.5-80.1000113.3Y28 F32 F170 L246 F316 D320 I321 L327 G328Y28-F324 VanDerWaalsContact CB-CE1 3.49Å; Y28-F324 HydrophobicContact CD1-CE1 4.24Å; Y28-F324 HydrophobicContact CD1-CZ 4.31Å; Y28-F324 HydrophobicContact CD2-CE1 4.23Å; Y28-F324 AromaticContact CG-CE1 3.74Å; Y28-F324 HydrophobicContact CG-CE1 3.74Å; Y28-F324 HydrophobicContact CG-CZ 4.27Å; F32-F324 HydrophobicContact CD2-CB 4Å; F32-F324 HydrophobicContact CD2-CD1 4.47Å; F32-F324 HydrophobicContact CD2-CD2 4.28Å; F32-F324 AromaticContact CD2-CG 3.92Å; F32-F324 HydrophobicContact CD2-CG 3.92Å; F32-F324 HydrophobicContact CE2-CB 4.09Å; F32-F324 HydrophobicContact CE2-CG 4.5Å; F170-F324 HydrophobicContact CB-CB 4.39Å; F170-F324 HydrophobicContact CD1-CB 4.17Å; F170-F324 AromaticContact CD1-CD1 3.89Å; F170-F324 HydrophobicContact CD1-CD1 3.89Å; F170-F324 HydrophobicContact CD1-CG 4.35Å; F170-F324 HydrophobicContact CE1-CD1 4.16Å; L246-F324 HydrophobicContact CD2-CE2 4.44Å; F316-F324 HydrophobicContact CD2-CE2 4.39Å; F316-F324 HydrophobicContact CE1-CE2 4.26Å; F316-F324 HydrophobicContact CE2-CD2 4.24Å; F316-F324 AromaticContact CE2-CE2 3.12Å; F316-F324 HydrophobicContact CE2-CE2 3.12Å; F316-F324 AromaticContact CE2-CZ 3.36Å; F316-F324 HydrophobicContact CE2-CZ 3.36Å; F316-F324 AromaticContact CZ-CD2 3.78Å; F316-F324 HydrophobicContact CZ-CD2 3.78Å; F316-F324 HydrophobicContact CZ-CE1 4.48Å; F316-F324 AromaticContact CZ-CE2 3.04Å; F316-F324 HydrophobicContact CZ-CE2 3.04Å; F316-F324 AromaticContact CZ-CZ 3.46Å; F316-F324 HydrophobicContact CZ-CZ 3.46Å; F316-F324 VanDerWaalsContact CZ-CZ 3.46Å; D320-F324 HydrophobicContact CB-CD2 4.44Å; D320-F324 HydrophobicContact CB-CE2 4.29Å; D320-F324 WeakPolarHBondContact O-CD2 3.26Å; D320-F324 PolarHBondContact O-N 3.14Å; I321-F324 PolarHBondContact O-N 3.25Å; I321-F324 VanDerWaalsContact O-N 3.14Å; F324-L327 HydrophobicContact CD1-CD2 4.5Å; F324-L327 HydrophobicContact CE1-CD2 4.49Å; F324-L327 PolarHBondContact O-N 2.73Å; F324-G328 PolarHBondContact O-N 2.84Å
325Q88.1Confident83.9Confident52 Ų5247.2 Ų47.224%0.24326%0.258CS..Hα-helixtrans-63-48.7173.8-68.1169.11100111.1F170 I321 P322 L327 G328 F329F170-Q325 WeakPolarHBondContact O-CG 3.42Å; I321-Q325 WeakPolarHBondContact O-CG 3.4Å; I321-Q325 PolarHBondContact O-N 3.13Å; P322-Q325 PolarHBondContact O-N 3.17Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 PolarHBondContact O-N 2.8Å; Q325-G328 PolarHBondContact O-N 3.38Å; Q325-G328 VanDerWaalsContact O-N 3.13Å; Q325-F329 HydrophobicContact CB-CE2 4.38Å; Q325-F329 WeakPolarHBondContact O-CD2 3.27Å; Q325-F329 PolarHBondContact O-N 3.06Å
326K89.4Confident85.9Confident94 Ų9440.9 Ų40.941%0.40923%0.226SC..Hα-helixtrans-57.9-42.1176-73.2173-177.1175.30111.3L245 P322 A323 F329 T330L245-K326 HydrophobicContact CD2-CB 4.2Å; L245-K326 HydrophobicContact CD2-CD 4.43Å; P322-K326 VanDerWaalsContact O-CG 3.32Å; P322-K326 WeakPolarHBondContact O-CG 3.46Å; P322-K326 PolarHBondContact O-N 3.17Å; A323-K326 PolarHBondContact O-N 2.8Å; K326-F329 PolarHBondContact O-N 3.39Å; K326-T330 WeakPolarHBondContact O-CB 3.42Å; K326-T330 PolarHBondContact O-N 2.9Å; K326-T330 PolarHBondContact O-OG1 2.93Å
327L88.4Confident87.6Confident3 Ų344.5 Ų44.52%0.01625%0.247CC..Hα-helixtrans-61.4-47.4174.4-177.363.1000111.2V24 T242 L245 A323 F324 Q325 F329 T330 I331V24-L327 HydrophobicContact CG1-CD2 4.49Å; V24-L327 HydrophobicContact CG2-CD2 3.74Å; V24-L327 HydrophobicContact CG2-CG 4.19Å; T242-L327 VanDerWaalsContact OG1-CD2 3.27Å; T242-L327 WeakPolarHBondContact OG1-CD2 3.4Å; L245-L327 HydrophobicContact CD1-CB 3.67Å; L245-L327 HydrophobicContact CD1-CD1 4Å; L245-L327 HydrophobicContact CD1-CG 4.39Å; A323-L327 WeakPolarHBondContact O-CB 3.17Å; A323-L327 PolarHBondContact O-N 3.34Å; F324-L327 HydrophobicContact CD1-CD2 4.5Å; F324-L327 HydrophobicContact CE1-CD2 4.49Å; F324-L327 PolarHBondContact O-N 2.73Å; Q325-L327 VanDerWaalsContact C-N 3.28Å; Q325-L327 PolarHBondContact O-N 2.8Å; L327-F329 PolarHBondContact O-N 3.29Å; L327-T330 PolarHBondContact O-N 2.87Å; L327-I331 HydrophobicContact CD1-CD1 4.01Å; L327-I331 HydrophobicContact CD1-CG1 4.39Å; L327-I331 HydrophobicContact CG-CD1 3.87Å; L327-I331 WeakPolarHBondContact O-CB 3.16Å; L327-I331 WeakPolarHBondContact O-CG1 3.15Å; L327-I331 PolarHBondContact O-N 2.99Å
328G90.9Very high88.9Confident1 Ų144.5 Ų44.51%0.0124%0.242CC..Hα-helixtrans-57.1-47.7176.900000112.5F324 Q325 I331 I332F324-G328 PolarHBondContact O-N 2.84Å; Q325-G328 PolarHBondContact O-N 3.38Å; Q325-G328 VanDerWaalsContact O-N 3.13Å; G328-I331 PolarHBondContact O-N 3.16Å; G328-I332 WeakPolarHBondContact O-CG1 3.25Å; G328-I332 PolarHBondContact O-N 2.96Å
329F91.7Very high90Very high133 Ų13339.9 Ų39.958%0.58322%0.222SC*.Hα-helixtrans-64.6-40.1175.6-71.3-61.5000112.7P167 Q325 K326 L327 I332 G333P167-F329 HydrophobicContact CB-CD1 4.47Å; P167-F329 HydrophobicContact CB-CE1 4.1Å; Q325-F329 HydrophobicContact CB-CE2 4.38Å; Q325-F329 WeakPolarHBondContact O-CD2 3.27Å; Q325-F329 PolarHBondContact O-N 3.06Å; K326-F329 PolarHBondContact O-N 3.39Å; L327-F329 PolarHBondContact O-N 3.29Å; F329-I332 PolarHBondContact O-N 3.12Å; F329-G333 PolarHBondContact O-N 2.84Å
330T91Very high90.9Very high67 Ų6738 Ų3841%0.41121%0.212SC..Hα-helixtrans-61.5-45.6177.3-58.70000110.8K326 L327 G333 V334K326-T330 WeakPolarHBondContact O-CB 3.42Å; K326-T330 PolarHBondContact O-N 2.9Å; K326-T330 PolarHBondContact O-OG1 2.93Å; L327-T330 PolarHBondContact O-N 2.87Å; T330-G333 PolarHBondContact O-N 3.29Å; T330-V334 WeakPolarHBondContact O-CG2 3.42Å; T330-V334 PolarHBondContact O-N 3.49Å
331I92.4Very high91.6Very high6 Ų641.1 Ų41.13%0.03123%0.228CC..Hα-helixtrans-62.8-45.1177.8-75.4169000111.4L20 V24 F166 V238 L327 G328 G333 G335L20-I331 HydrophobicContact CB-CB 4.4Å; L20-I331 HydrophobicContact CB-CG1 4.26Å; L20-I331 HydrophobicContact CB-CG2 3.55Å; L20-I331 HydrophobicContact CD1-CG2 4.48Å; V24-I331 HydrophobicContact CB-CD1 4.18Å; V24-I331 HydrophobicContact CG2-CD1 3.2Å; F166-I331 HydrophobicContact CE1-CD1 4.49Å; F166-I331 HydrophobicContact CE1-CG2 4.17Å; V238-I331 HydrophobicContact CG2-CD1 3.97Å; V238-I331 HydrophobicContact CG2-CG1 4.35Å; L327-I331 HydrophobicContact CD1-CD1 4.01Å; L327-I331 HydrophobicContact CD1-CG1 4.39Å; L327-I331 HydrophobicContact CG-CD1 3.87Å; L327-I331 WeakPolarHBondContact O-CB 3.16Å; L327-I331 WeakPolarHBondContact O-CG1 3.15Å; L327-I331 PolarHBondContact O-N 2.99Å; G328-I331 PolarHBondContact O-N 3.16Å; I331-G333 VanDerWaalsContact C-N 3.32Å; I331-G333 PolarHBondContact O-N 3.47Å; I331-G335 WeakPolarHBondContact O-CA 3.18Å; I331-G335 PolarHBondContact O-N 3.43Å
332I93.9Very high92.3Very high21 Ų2140.1 Ų40.111%0.10822%0.223CC..Hα-helixtrans-66.7-34.7177.1-70-47.3000111.7L17 I162 I163 F166 P167 G328 F329 G336L17-I332 HydrophobicContact CD1-CD1 3.82Å; I162-I332 HydrophobicContact CG2-CD1 4.37Å; I163-I332 HydrophobicContact CB-CG2 4.34Å; I163-I332 HydrophobicContact CG1-CD1 4.36Å; I163-I332 HydrophobicContact CG1-CG2 4.19Å; I163-I332 HydrophobicContact CG2-CG2 3.85Å; F166-I332 HydrophobicContact CB-CD1 4.16Å; F166-I332 HydrophobicContact CD1-CD1 4.2Å; F166-I332 HydrophobicContact CD1-CG1 4.32Å; P167-I332 HydrophobicContact CG-CB 4.5Å; P167-I332 HydrophobicContact CG-CG1 3.7Å; G328-I332 WeakPolarHBondContact O-CG1 3.25Å; G328-I332 PolarHBondContact O-N 2.96Å; F329-I332 PolarHBondContact O-N 3.12Å; I332-G336 VanDerWaalsContact O-CA 3.3Å; I332-G336 WeakPolarHBondContact O-CA 3.17Å; I332-G336 PolarHBondContact O-N 2.63Å
333G94.9Very high92.7Very high47 Ų4737.7 Ų37.749%0.48521%0.207SC..Hα-helixtrans-62.9-54.1173.700000112.6F329 T330 I331 L337F329-G333 PolarHBondContact O-N 2.84Å; T330-G333 PolarHBondContact O-N 3.29Å; I331-G333 VanDerWaalsContact C-N 3.32Å; I331-G333 PolarHBondContact O-N 3.47Å; G333-L337 WeakPolarHBondContact O-CB 3.38Å; G333-L337 PolarHBondContact O-N 2.69Å; G333-L337 VanDerWaalsContact O-N 3.07Å
334V95.6Very high93.1Very high56 Ų5640.7 Ų40.734%0.33922%0.219SC..Hα-helixtrans-66.1-48.8179.3176.70000111L20 L237 T330 L337 T338L20-V334 HydrophobicContact CD1-CB 4.17Å; L20-V334 HydrophobicContact CD1-CG1 3.95Å; L237-V334 HydrophobicContact CD2-CG1 4.25Å; T330-V334 WeakPolarHBondContact O-CG2 3.42Å; T330-V334 PolarHBondContact O-N 3.49Å; V334-L337 PolarHBondContact O-N 3.07Å; V334-T338 WeakPolarHBondContact O-CG2 3.27Å; V334-T338 PolarHBondContact O-N 3.32Å; V334-T338 PolarHBondContact O-OG1 3.28Å
335G96.8Very high93.4Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-61.7-44.4178.200000112.4I331 L337 T338 M339I331-G335 WeakPolarHBondContact O-CA 3.18Å; I331-G335 PolarHBondContact O-N 3.43Å; G335-L337 PolarHBondContact O-N 3Å; G335-T338 WeakPolarHBondContact CA-OG1 3.21Å; G335-T338 PolarHBondContact O-N 3.45Å; G335-T338 PolarHBondContact O-OG1 3.48Å; G335-M339 WeakPolarHBondContact O-CB 3.35Å; G335-M339 PolarHBondContact O-N 2.92Å
336G96.3Very high93.5Very high11 Ų1138.2 Ų38.211%0.11321%0.209CC..Hα-helixtrans-60.9-42.2175.600000112.5I332 M339 L340I332-G336 VanDerWaalsContact O-CA 3.3Å; I332-G336 WeakPolarHBondContact O-CA 3.17Å; I332-G336 PolarHBondContact O-N 2.63Å; G336-M339 PolarHBondContact O-N 3.48Å; G336-L340 WeakPolarHBondContact O-CG 3.25Å; G336-L340 PolarHBondContact O-N 3.18Å
337L96.5Very high93.3Very high105 Ų10537.3 Ų37.355%0.5520%0.203SC..Hα-helixtrans-61.6-48.8174.5178.462.8000111.8G333 V334 G335 M339 L340 L341G333-L337 WeakPolarHBondContact O-CB 3.38Å; G333-L337 PolarHBondContact O-N 2.69Å; G333-L337 VanDerWaalsContact O-N 3.07Å; V334-L337 PolarHBondContact O-N 3.07Å; G335-L337 PolarHBondContact O-N 3Å; L337-M339 VanDerWaalsContact C-N 3.32Å; L337-M339 PolarHBondContact O-N 3.13Å; L337-L340 PolarHBondContact O-N 3.03Å; L337-L341 HydrophobicContact CD1-CG 4.49Å; L337-L341 HydrophobicContact CG-CD1 4.35Å; L337-L341 WeakPolarHBondContact O-CG 3.46Å; L337-L341 PolarHBondContact O-N 3.11Å
338T97Very high92.9Very high21 Ų2142.3 Ų42.313%0.12922%0.224CC..Hα-helixtrans-63.5-37.4178.857.90000112.6V16 V334 G335 L341 F342V16-T338 HydrophobicContact CB-CG2 4.28Å; V16-T338 HydrophobicContact CG1-CG2 3.99Å; V334-T338 WeakPolarHBondContact O-CG2 3.27Å; V334-T338 PolarHBondContact O-N 3.32Å; V334-T338 PolarHBondContact O-OG1 3.28Å; G335-T338 WeakPolarHBondContact CA-OG1 3.21Å; G335-T338 PolarHBondContact O-N 3.45Å; G335-T338 PolarHBondContact O-OG1 3.48Å; T338-L341 PolarHBondContact O-N 3.42Å; T338-F342 PolarHBondContact O-N 2.91Å
339M95.6Very high92.4Very high11 Ų1149.6 Ų49.65%0.05426%0.256CS..Hα-helixtrans-60.5-46.7172.6177.5-82.5-72.300111.6L17 L156 S159 I163 G335 G336 L337 L341 F342 H343L17-M339 HydrophobicContact CD2-CB 4.46Å; L156-M339 HydrophobicContact CD1-CE 4.37Å; L156-M339 HydrophobicContact CD1-SD 3.83Å; S159-M339 WeakPolarHBondContact OG-CG 3.38Å; I163-M339 HydrophobicContact CD1-CE 3.66Å; G335-M339 WeakPolarHBondContact O-CB 3.35Å; G335-M339 PolarHBondContact O-N 2.92Å; G336-M339 PolarHBondContact O-N 3.48Å; L337-M339 VanDerWaalsContact C-N 3.32Å; L337-M339 PolarHBondContact O-N 3.13Å; M339-L341 PolarHBondContact O-N 3.08Å; M339-F342 WeakPolarHBondContact O-CB 3.34Å; M339-F342 PolarHBondContact O-N 3.22Å; M339-H343 PolarHBondContact O-CD2 3Å; M339-H343 VanDerWaalsContact O-CD2 3.31Å; M339-H343 PolarHBondContact O-N 3.12Å; M339-H343 VanDerWaalsContact SD-CD2 3.56Å
340L95Very high92.1Very high69 Ų6945.2 Ų45.236%0.36124%0.238SC..Hα-helixtrans-61.4-45.4176-71.1173000111.3F146 G336 L337 F342 H343 F344F146-L340 HydrophobicContact CE2-CD2 3.79Å; F146-L340 HydrophobicContact CZ-CD2 3.99Å; G336-L340 WeakPolarHBondContact O-CG 3.25Å; G336-L340 PolarHBondContact O-N 3.18Å; L337-L340 PolarHBondContact O-N 3.03Å; L340-F342 VanDerWaalsContact C-N 3.3Å; L340-F342 PolarHBondContact O-N 2.97Å; L340-H343 PolarHBondContact O-N 3.3Å; L340-H343 VanDerWaalsContact O-N 3.1Å; L340-F344 HydrophobicContact CB-CD2 4.47Å; L340-F344 WeakPolarHBondContact O-CD2 3.46Å; L340-F344 PolarHBondContact O-N 3.21Å
341L95.3Very high91.7Very high88 Ų8843.3 Ų43.346%0.46122%0.224SC..Hα-helixtrans-59.1-40.7177.1-70.9176.4000112.1I13 L337 T338 M339 F344 G345I13-L341 HydrophobicContact CD1-CB 3.55Å; I13-L341 HydrophobicContact CD1-CD1 4.26Å; L337-L341 HydrophobicContact CD1-CG 4.49Å; L337-L341 HydrophobicContact CG-CD1 4.35Å; L337-L341 WeakPolarHBondContact O-CG 3.46Å; L337-L341 PolarHBondContact O-N 3.11Å; T338-L341 PolarHBondContact O-N 3.42Å; M339-L341 PolarHBondContact O-N 3.08Å; L341-F344 PolarHBondContact O-N 3.31Å; L341-G345 VanDerWaalsContact O-CA 3.32Å; L341-G345 WeakPolarHBondContact O-CA 3.37Å; L341-G345 PolarHBondContact O-N 3.44Å
342F96.1Very high90.9Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-59.7-48.7171.6160.2-96.9000111.6S10 Y11 I13 G14 K152 H155 L209 T338 M339 L340 F344 G345 V346S10-F342 WeakPolarHBondContact O-CA 3.37Å; S10-F342 WeakPolarHBondContact O-CB 3.49Å; S10-F342 VanDerWaalsContact O-CD2 3.3Å; S10-F342 WeakPolarHBondContact O-CD2 3.24Å; Y11-F342 HydrophobicContact CD2-CE2 4.48Å; I13-F342 HydrophobicContact CG1-CB 4.42Å; G14-F342 VanDerWaalsContact CA-CB 3.48Å; K152-F342 HydrophobicContact CG-CZ 4.46Å; H155-F342 AromaticContact CD2-CE1 3.97Å; H155-F342 AromaticContact CE1-CD1 3.61Å; H155-F342 AromaticContact CE1-CE1 3.51Å; H155-F342 AromaticContact CG-CE1 3.78Å; H155-F342 AromaticContact ND1-CD1 3.89Å; H155-F342 AromaticContact ND1-CE1 3.48Å; H155-F342 WeakPolarHBondContact ND1-CE1 3.41Å; H155-F342 AromaticContact NE2-CE1 3.77Å; L209-F342 HydrophobicContact CD1-CE2 4.01Å; L209-F342 HydrophobicContact CD1-CZ 3.55Å; T338-F342 PolarHBondContact O-N 2.91Å; M339-F342 WeakPolarHBondContact O-CB 3.34Å; M339-F342 PolarHBondContact O-N 3.22Å; L340-F342 VanDerWaalsContact C-N 3.3Å; L340-F342 PolarHBondContact O-N 2.97Å; F342-F344 VanDerWaalsContact C-N 3.33Å; F342-F344 PolarHBondContact O-N 2.87Å; F342-G345 PolarHBondContact O-N 3.01Å; F342-V346 HydrophobicContact CD2-CG2 3.77Å; F342-V346 HydrophobicContact CE2-CB 4.41Å; F342-V346 HydrophobicContact CE2-CG2 3.78Å; F342-V346 PolarHBondContact O-N 2.94Å
343H93.1Very high89.2Confident0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-63.1-36-179.2-86.5-84.5000113.1F146 K152 H155 M339 L340F146-H343 HydrophobicContact CE2-CB 4.09Å; K152-H343 PolarHBondContact NZ-O 3.17Å; K152-H343 PolarHBondContact O-CE1 3.31Å; H155-H343 AromaticContact ND1-NE2 3.17Å; H155-H343 PolarHBondContact ND1-NE2 3.48Å; H155-H343 VanDerWaalsContact ND1-NE2 3.17Å; M339-H343 PolarHBondContact O-CD2 3Å; M339-H343 VanDerWaalsContact O-CD2 3.31Å; M339-H343 PolarHBondContact O-N 3.12Å; M339-H343 VanDerWaalsContact SD-CD2 3.56Å; L340-H343 PolarHBondContact O-N 3.3Å; L340-H343 VanDerWaalsContact O-N 3.1Å
344F91.6Very high86.8Confident67 Ų6752.8 Ų52.829%0.29426%0.26SS..Hα-helixtrans-81.5-25.4175-76.9-65.9000114.7R145 F146 L340 L341 F342R145-F344 PolarHBondContact NH2-O 3.32Å; F146-F344 HydrophobicContact CB-CE1 4.4Å; F146-F344 HydrophobicContact CD2-CD1 4.41Å; F146-F344 HydrophobicContact CD2-CD2 4.5Å; F146-F344 AromaticContact CD2-CE1 3.84Å; F146-F344 HydrophobicContact CD2-CE1 3.84Å; F146-F344 AromaticContact CD2-CE2 3.93Å; F146-F344 HydrophobicContact CD2-CE2 3.93Å; F146-F344 AromaticContact CD2-CZ 3.57Å; F146-F344 HydrophobicContact CD2-CZ 3.57Å; F146-F344 HydrophobicContact CE2-CE2 4.06Å; F146-F344 HydrophobicContact CE2-CZ 4.13Å; L340-F344 HydrophobicContact CB-CD2 4.47Å; L340-F344 WeakPolarHBondContact O-CD2 3.46Å; L340-F344 PolarHBondContact O-N 3.21Å; L341-F344 PolarHBondContact O-N 3.31Å; F342-F344 VanDerWaalsContact C-N 3.33Å; F342-F344 PolarHBondContact O-N 2.87Å
345G91.2Very high84Confident3 Ų355.2 Ų55.23%0.03128%0.275CS..Hα-helixtrans-80.6-47.8-175.300000112.3S10 L341 F342S10-G345 WeakPolarHBondContact OG-CA 3.26Å; L341-G345 VanDerWaalsContact O-CA 3.32Å; L341-G345 WeakPolarHBondContact O-CA 3.37Å; L341-G345 PolarHBondContact O-N 3.44Å; F342-G345 PolarHBondContact O-N 3.01Å
346V91.2Very high80.6Confident0 Ų066.2 Ų66.20%032%0.316CS..SBendtrans-89.9110.6177.7-175.50000109.8L7 K152 L213 F342 F351L7-V346 HydrophobicContact CD1-CB 4.3Å; L7-V346 HydrophobicContact CD1-CG1 4.17Å; L7-V346 HydrophobicContact CD1-CG2 4.05Å; K152-V346 PolarHBondContact NZ-O 3.09Å; L213-V346 HydrophobicContact CD1-CG1 4.48Å; L213-V346 HydrophobicContact CD2-CG1 4.12Å; F342-V346 HydrophobicContact CD2-CG2 3.77Å; F342-V346 HydrophobicContact CE2-CB 4.41Å; F342-V346 HydrophobicContact CE2-CG2 3.78Å; F342-V346 PolarHBondContact O-N 2.94Å; V346-F351 HydrophobicContact CG1-CE2 3.84Å; V346-F351 HydrophobicContact CG1-CZ 3.76Å
347R85.7Confident77.3Confident74 Ų7470.2 Ų70.228%0.27934%0.339SS..  trans-106.7160.2-174.7-55.5-178.5-169.7174.28.3111.3R6 R145 K349 D350 F351R6-R347 VanDerWaalsContact NH2-NH2 3.18Å; R145-R347 VanDerWaalsContact CZ-NH2 3.34Å; R347-K349 HydrophobicContact CB-CG 4.12Å; R347-K349 PolarHBondContact O-N 2.74Å; R347-K349 VanDerWaalsContact O-N 3.14Å; R347-D350 WeakPolarHBondContact CA-OD2 3.25Å; R347-D350 WeakPolarHBondContact CB-OD2 3.34Å; R347-D350 PolarHBondContact N-OD2 2.96Å; R347-D350 VanDerWaalsContact O-CB 3.3Å; R347-D350 WeakPolarHBondContact O-CB 3.38Å; R347-D350 PolarHBondContact O-N 2.84Å; R347-F351 WeakPolarHBondContact O-CD2 3.38Å; R347-F351 WeakPolarHBondContact O-CE2 3.33Å
348K79.9Confident74.3Confident109 Ų10971.9 Ų71.947%0.47435%0.347SS..G310 helixtrans-53-37.2178.4-171.8176179.5179.60113.4D350 F351K348-D350 PolarHBondContact O-N 3.41Å; K348-F351 WeakPolarHBondContact O-CD2 3.36Å; K348-F351 PolarHBondContact O-N 3.41Å
349K80.5Confident71.1Confident153 Ų15375.5 Ų75.567%0.66537%0.369SS*.G310 helixtrans-69-17178.567.2169.8-168.1165.10114.8R347 F351R347-K349 HydrophobicContact CB-CG 4.12Å; R347-K349 PolarHBondContact O-N 2.74Å; R347-K349 VanDerWaalsContact O-N 3.14Å; K349-F351 VanDerWaalsContact C-N 3.28Å
350D84Confident68.2Low41 Ų4180.4 Ų80.422%0.21940%0.399CS..G310 helixtrans-83.4-12.7-177.2-57.7-33.3000111.3L7 L213 R347 K348L7-D350 HydrophobicContact CD1-CB 3.86Å; L7-D350 HydrophobicContact CD2-CB 3.75Å; L7-D350 HydrophobicContact CG-CB 4.47Å; L213-D350 HydrophobicContact CD2-CB 4.42Å; R347-D350 WeakPolarHBondContact CA-OD2 3.25Å; R347-D350 WeakPolarHBondContact CB-OD2 3.34Å; R347-D350 PolarHBondContact N-OD2 2.96Å; R347-D350 VanDerWaalsContact O-CB 3.3Å; R347-D350 WeakPolarHBondContact O-CB 3.38Å; R347-D350 PolarHBondContact O-N 2.84Å; K348-D350 PolarHBondContact O-N 3.41Å
351F82.5Confident65.5Low27 Ų2782.9 Ų82.912%0.11842%0.417CS..SBendtrans-80139.5176.1-68.3-87.7000110.5K152 L209 E212 L213 V346 R347 K348 K349 H353K152-F351 HydrophobicContact CD-CE2 4.2Å; K152-F351 HydrophobicContact CD-CZ 3.98Å; K152-F351 HydrophobicContact CG-CZ 4.27Å; L209-F351 HydrophobicContact CD2-CE1 3.44Å; L209-F351 VanDerWaalsContact CD2-CE1 3.44Å; L209-F351 HydrophobicContact CD2-CZ 3.78Å; E212-F351 HydrophobicContact CB-CD1 3.77Å; E212-F351 HydrophobicContact CB-CE1 4.21Å; E212-F351 WeakPolarHBondContact OE2-CD1 3.33Å; E212-F351 VanDerWaalsContact OE2-CE1 3.26Å; E212-F351 WeakPolarHBondContact OE2-CE1 3.38Å; L213-F351 HydrophobicContact CD2-CD1 4.12Å; L213-F351 HydrophobicContact CD2-CE1 4.06Å; L213-F351 HydrophobicContact CD2-CG 4.46Å; L213-F351 HydrophobicContact CD2-CZ 4.37Å; L213-F351 HydrophobicContact CG-CE1 4.42Å; V346-F351 HydrophobicContact CG1-CE2 3.84Å; V346-F351 HydrophobicContact CG1-CZ 3.76Å; R347-F351 WeakPolarHBondContact O-CD2 3.38Å; R347-F351 WeakPolarHBondContact O-CE2 3.33Å; K348-F351 WeakPolarHBondContact O-CD2 3.36Å; K348-F351 PolarHBondContact O-N 3.41Å; K349-F351 VanDerWaalsContact C-N 3.28Å; F351-H353 PolarHBondContact O-N 3.13Å
352I75.5Confident62.7Low61 Ų6185.2 Ų85.231%0.31343%0.43SS..  trans-6998.9169.7-61.5147.4000106.3E212 M215 N354E212-I352 WeakPolarHBondContact O-CD1 3.45Å; E212-I352 PolarHBondContact O-N 3.18Å; M215-I352 HydrophobicContact CG-CD1 3.55Å; M215-I352 HydrophobicContact CG-CG1 4.4Å; M215-I352 HydrophobicContact SD-CD1 3.75Å; M215-I352 HydrophobicContact SD-CG2 4.21Å; I352-N354 PolarHBondContact O-N 3.3Å
353H58.7Low59.6Low99 Ų9991.5 Ų91.546%0.45846%0.463SS..  trans-61.7129.4166.8-78.2-45.8000107.3F351 V355F351-H353 PolarHBondContact O-N 3.13Å; H353-V355 HydrophobicContact CB-CG2 4.14Å; H353-V355 PolarHBondContact O-N 3.07Å
354N44.6Very low56.9Low114 Ų11495.3 Ų95.361%0.6149%0.487SS*.  trans-64.867.9165.4-80.1-22.2000109I352 R356I352-N354 PolarHBondContact O-N 3.3Å; N354-R356 PolarHBondContact O-N 3Å
355V36.3Very low54.3Low107 Ų10797.8 Ų97.865%0.64850%0.504SS*.  trans-78.761.5153.4-170.70000105.9H353 T357H353-V355 HydrophobicContact CB-CG2 4.14Å; H353-V355 PolarHBondContact O-N 3.07Å; V355-T357 HydrophobicContact CG1-CG2 4.34Å; V355-T357 VanDerWaalsContact CG1-OG1 3.27Å; V355-T357 WeakPolarHBondContact CG1-OG1 3.49Å
356R26.9Very low52Low230 Ų230102.4 Ų102.487%0.86853%0.533SS*.  -90.470129.9-75.5-172.5-177.1-176.40.1104.7N354 I358N354-R356 PolarHBondContact O-N 3Å; R356-I358 PolarHBondContact O-N 2.95Å
357T27.3Very low49.5Very low95 Ų95110 Ų11058%0.58357%0.568SS**  trans-49.7114.7132.735.60000103.1V355 T359V355-T357 HydrophobicContact CG1-CG2 4.34Å; V355-T357 VanDerWaalsContact CG1-OG1 3.27Å; V355-T357 WeakPolarHBondContact CG1-OG1 3.49Å; T357-T359 PolarHBondContact O-N 2.92Å
358I32.6Very low47.4Very low141 Ų141109 Ų10972%0.72357%0.572SS**  trans-50.891.9152.7-62.4167.4000102.8R356 V360R356-I358 PolarHBondContact O-N 2.95Å; I358-V360 VanDerWaalsContact C-N 3.33Å; I358-V360 PolarHBondContact O-N 3.06Å
359T29.6Very low45.6Very low96 Ų96108 Ų10859%0.58958%0.576SS**  trans-54115.9154.837.50000101.6T357 V361T357-T359 PolarHBondContact O-N 2.92Å; T359-V361 PolarHBondContact O-N 3.12Å
360V35.8Very low43.5Very low114 Ų114107.3 Ų107.369%0.69158%0.579SS**THydrogen-bonded Turntrans-6432.2-177.6-179.80000110.9I358 I363I358-V360 VanDerWaalsContact C-N 3.33Å; I358-V360 PolarHBondContact O-N 3.06Å; V360-I363 HydrophobicContact CG1-CD1 4.43Å
361V37.8Very low41.1Very low122 Ų122113.1 Ų113.174%0.73961%0.605SS**THydrogen-bonded Turntrans-101.7-16.7-175.9-176.10000112T359T359-V361 PolarHBondContact O-N 3.12Å
362D35.1Very low39Very low136 Ų136116 Ų11673%0.72762%0.621SS**  trans-111.373.1167.1-58.6-31000108.9P364D362-P364 WeakPolarHBondContact O-CD 3.43Å
363I32.4Very low37Very low133 Ų133121.8 Ų121.868%0.68264%0.643SS**  trans-75.3105.5150.6-60172000103.7V360 N365V360-I363 HydrophobicContact CG1-CD1 4.43Å; I363-N365 PolarHBondContact O-N 3.32Å
364P37Very low35.8Very low80 Ų80123.5 Ų123.552%0.51965%0.652SS.*  trans-63.3132172.3-10.928.4000106.2D362 S368D362-P364 WeakPolarHBondContact O-CD 3.43Å; P364-S368 VanDerWaalsContact CB-OG 3.3Å; P364-S368 WeakPolarHBondContact CB-OG 3.38Å
365N36.5Very low35.4Very low119 Ų119123.5 Ų123.564%0.63666%0.658SS**  trans-43.7132.8173.2-106.2-3000109I363 E367 S368I363-N365 PolarHBondContact O-N 3.32Å; N365-E367 PolarHBondContact O-N 3.33Å; N365-S368 WeakPolarHBondContact O-CB 3.16Å; N365-S368 PolarHBondContact O-N 2.86Å; N365-S368 PolarHBondContact O-OG 3.36Å
366P41.9Very low36.1Very low100 Ų100121.1 Ų121.165%0.64965%0.649SS**THydrogen-bonded Turntrans-56.1-20-176.217.8-29.3000113.4
367E39Very low37.6Very low159 Ų159113.7 Ų113.774%0.74362%0.622SS**THydrogen-bonded Turntrans-72.2-29.6174.1-62.9-174.616200114N365 V369N365-E367 PolarHBondContact O-N 3.33Å; E367-V369 VanDerWaalsContact C-N 3.27Å; E367-V369 PolarHBondContact O-N 2.85Å
368S42.2Very low39.5Very low52 Ų52115.4 Ų115.436%0.36463%0.626SS.*G310 helixtrans-71.5-20.7176.765.70000113.2P364 N365 N370P364-S368 VanDerWaalsContact CB-OG 3.3Å; P364-S368 WeakPolarHBondContact CB-OG 3.38Å; N365-S368 WeakPolarHBondContact O-CB 3.16Å; N365-S368 PolarHBondContact O-N 2.86Å; N365-S368 PolarHBondContact O-OG 3.36Å; S368-N370 VanDerWaalsContact C-N 3.33Å; S368-N370 PolarHBondContact O-N 3.39Å
369V42.6Very low41.7Very low89 Ų89109.2 Ų109.254%0.53959%0.594SS.*G310 helixtrans-72-28.7-179.6-177.60000111.7E367E367-V369 VanDerWaalsContact C-N 3.27Å; E367-V369 PolarHBondContact O-N 2.85Å
370N35.7Very low44Very low138 Ų138108.6 Ų108.674%0.73859%0.591SS**G310 helixtrans-82-12.9-175-75.1-19.8000114.5S368S368-N370 VanDerWaalsContact C-N 3.33Å; S368-N370 PolarHBondContact O-N 3.39Å
371Q33Very low46.4Very low163 Ų163105.9 Ų105.976%0.76257%0.574SS**SBendtrans-99.4-8-179-72-169.2-6.100114.7K373Q371-K373 VanDerWaalsContact C-N 3.28Å; Q371-K373 PolarHBondContact O-N 2.94Å
372I38.8Very low48.7Very low88 Ų88103.4 Ų103.445%0.45155%0.552SS.*  trans-80.476.9176.3-50.7173.3000109.3H374 V592I372-H374 WeakPolarHBondContact CG2-O 3.43Å; I372-H374 PolarHBondContact O-N 3.37Å; I372-V592 HydrophobicContact CD1-CG2 4.41Å; I372-V592 HydrophobicContact CG1-CG2 4.33Å
373K33.6Very low51.3Low182 Ų182102.7 Ų102.779%0.79154%0.542SS*.  trans-75.93.5174.1-87.1-175.4177.4177.80114.6Q371Q371-K373 VanDerWaalsContact C-N 3.28Å; Q371-K373 PolarHBondContact O-N 2.94Å
374H33.3Very low54Low136 Ų13697.2 Ų97.263%0.6351%0.514SS*.SBendtrans-129.5104173.8-67.1-65.4000110.2I372 A376 V588I372-H374 WeakPolarHBondContact CG2-O 3.43Å; I372-H374 PolarHBondContact O-N 3.37Å; H374-A376 PolarHBondContact O-N 3.06Å; H374-V588 HydrophobicContact CB-CG2 3.83Å
375P36.3Very low56.6Low113 Ų11393.5 Ų93.573%0.73449%0.49SS*.  trans-69.8119.217828.2-30.3000107.8Y377P375-Y377 PolarHBondContact O-N 3.42Å; P375-Y377 VanDerWaalsContact O-N 3.09Å
376A51.4Low59.3Low58 Ų5890.4 Ų90.448%0.47947%0.473SS..  trans-45.5122.7149.900000106.2H374 I378H374-A376 PolarHBondContact O-N 3.06Å; A376-I378 VanDerWaalsContact C-N 3.33Å; A376-I378 WeakPolarHBondContact O-CG1 3.08Å; A376-I378 PolarHBondContact O-N 3.1Å
377Y57.6Low61.6Low74 Ų7494.3 Ų94.329%0.2948%0.475SS..  trans-66.394.4-173.5-171.8-104.1000109.3P375 I379 D384 R387P375-Y377 PolarHBondContact O-N 3.42Å; P375-Y377 VanDerWaalsContact O-N 3.09Å; Y377-I379 HydrophobicContact CD1-CD1 4.43Å; Y377-I379 HydrophobicContact CD1-CG1 3.69Å; Y377-I379 HydrophobicContact CE1-CG1 3.83Å; Y377-I379 PolarHBondContact O-N 2.89Å; Y377-D384 HydrophobicContact CE1-CB 3.81Å; Y377-D384 WeakPolarHBondContact CE1-O 3.36Å; Y377-D384 WeakPolarHBondContact OH-CA 3.35Å; Y377-D384 WeakPolarHBondContact OH-CB 3.46Å; Y377-D384 PolarHBondContact OH-O 2.95Å; Y377-D384 PolarHBondContact OH-OD1 3.26Å; Y377-R387 WeakPolarHBondContact OH-CB 3.32Å
378I68Low64Low130 Ų13087.5 Ų87.567%0.66744%0.444SS*.  trans-75.2109.8178.4-58.4174.3000106.8A376 T380A376-I378 VanDerWaalsContact C-N 3.33Å; A376-I378 WeakPolarHBondContact O-CG1 3.08Å; A376-I378 PolarHBondContact O-N 3.1Å; I378-T380 HydrophobicContact CG2-CG2 3.88Å; I378-T380 PolarHBondContact O-N 2.73Å; I378-T380 VanDerWaalsContact O-N 3.15Å
379I77.7Confident66.4Low11 Ų1188.3 Ų88.36%0.05645%0.447CS..  trans-77.6101.4176.1-59-177.5000107.4Y377 D384 W385 L388 N513Y377-I379 HydrophobicContact CD1-CD1 4.43Å; Y377-I379 HydrophobicContact CD1-CG1 3.69Å; Y377-I379 HydrophobicContact CE1-CG1 3.83Å; Y377-I379 PolarHBondContact O-N 2.89Å; I379-D384 HydrophobicContact CG2-CB 4.09Å; I379-W385 HydrophobicContact CD1-CD2 3.67Å; I379-W385 HydrophobicContact CD1-CE3 3.67Å; I379-W385 HydrophobicContact CD1-CG 4.45Å; I379-W385 HydrophobicContact CD1-CH2 3.57Å; I379-W385 HydrophobicContact CD1-CZ2 3.59Å; I379-W385 HydrophobicContact CD1-CZ3 3.6Å; I379-W385 HydrophobicContact CG2-CD2 4.27Å; I379-W385 HydrophobicContact CG2-CG 4.19Å; I379-W385 HydrophobicContact CG2-CZ2 4.49Å; I379-L388 HydrophobicContact CD1-CD2 4.48Å; I379-N513 HydrophobicContact CB-CB 4.08Å; I379-N513 HydrophobicContact CD1-CB 4.26Å; I379-N513 WeakPolarHBondContact CD1-ND2 3.16Å; I379-N513 WeakPolarHBondContact CG1-ND2 3.33Å
380T78.8Confident68.8Low84 Ų8484.8 Ų84.852%0.51543%0.426SS..  trans-94.6-36.9179.864.70000111.5I378 D384 H516I378-T380 HydrophobicContact CG2-CG2 3.88Å; I378-T380 PolarHBondContact O-N 2.73Å; I378-T380 VanDerWaalsContact O-N 3.15Å; T380-D384 PolarHBondContact N-OD2 3.21Å; T380-D384 VanDerWaalsContact N-OD2 3.07Å; T380-D384 PolarHBondContact OG1-OD2 2.65Å; T380-H516 PolarHBondContact O-NE2 2.93Å
381T85.3Confident71.5Confident57 Ų5778.3 Ų78.335%0.3539%0.391SS..SBendtrans-124.1152-174.1-53.20000110K383 D384T381-K383 HydrophobicContact CG2-CB 4.25Å; T381-K383 HydrophobicContact CG2-CG 4.26Å; T381-K383 PolarHBondContact O-N 3.46Å; T381-D384 PolarHBondContact N-OD2 2.9Å; T381-D384 VanDerWaalsContact O-CB 3.26Å; T381-D384 WeakPolarHBondContact O-CB 3.43Å; T381-D384 PolarHBondContact O-N 3.48Å
382W87.2Confident74.5Confident69 Ų6974.9 Ų74.926%0.26137%0.371SS..Hα-helixtrans-51.9-30.3171.864.6-90.9000113.7L64 D384 W385 L386 H516 F519L64-W382 HydrophobicContact CD1-CB 4.05Å; L64-W382 HydrophobicContact CD1-CD2 4.18Å; L64-W382 HydrophobicContact CD1-CG 3.67Å; W382-D384 VanDerWaalsContact C-N 3.25Å; W382-D384 PolarHBondContact O-N 2.9Å; W382-W385 WeakPolarHBondContact O-CB 3.38Å; W382-W385 PolarHBondContact O-N 3.13Å; W382-L386 HydrophobicContact CE3-CD1 4.42Å; W382-L386 HydrophobicContact CZ3-CD1 3.98Å; W382-H516 HydrophobicContact CB-CB 4.45Å; W382-F519 HydrophobicContact CB-CD1 4.05Å; W382-F519 HydrophobicContact CB-CE1 4.33Å; W382-F519 HydrophobicContact CB-CG 4.15Å; W382-F519 HydrophobicContact CE3-CE1 4.31Å; W382-F519 AromaticContact CE3-CE2 3.98Å; W382-F519 HydrophobicContact CE3-CE2 3.98Å; W382-F519 AromaticContact CE3-CZ 3.76Å; W382-F519 HydrophobicContact CE3-CZ 3.76Å; W382-F519 HydrophobicContact CZ3-CZ 4.38Å
383K89.5Confident77.2Confident121 Ų12171.8 Ų71.853%0.52636%0.355SS..Hα-helixtrans-65.1-27.8176.2-65.8-175.5-179.9-1790113.1T381 W385 L386T381-K383 HydrophobicContact CG2-CB 4.25Å; T381-K383 HydrophobicContact CG2-CG 4.26Å; T381-K383 PolarHBondContact O-N 3.46Å; K383-W385 VanDerWaalsContact C-N 3.27Å; K383-W385 PolarHBondContact O-N 3.49Å; K383-L386 WeakPolarHBondContact O-CB 3.43Å; K383-L386 PolarHBondContact O-N 3.49Å
384D89.1Confident80.2Confident18 Ų1863.1 Ų63.110%0.09632%0.317CS..Hα-helixtrans-67.7-32.3179.8-66.4-31.6000110.9Y377 I379 T380 T381 W382 L386 R387 L388Y377-D384 HydrophobicContact CE1-CB 3.81Å; Y377-D384 WeakPolarHBondContact CE1-O 3.36Å; Y377-D384 WeakPolarHBondContact OH-CA 3.35Å; Y377-D384 WeakPolarHBondContact OH-CB 3.46Å; Y377-D384 PolarHBondContact OH-O 2.95Å; Y377-D384 PolarHBondContact OH-OD1 3.26Å; I379-D384 HydrophobicContact CG2-CB 4.09Å; T380-D384 PolarHBondContact N-OD2 3.21Å; T380-D384 VanDerWaalsContact N-OD2 3.07Å; T380-D384 PolarHBondContact OG1-OD2 2.65Å; T381-D384 PolarHBondContact N-OD2 2.9Å; T381-D384 VanDerWaalsContact O-CB 3.26Å; T381-D384 WeakPolarHBondContact O-CB 3.43Å; T381-D384 PolarHBondContact O-N 3.48Å; W382-D384 VanDerWaalsContact C-N 3.25Å; W382-D384 PolarHBondContact O-N 2.9Å; D384-L386 PolarHBondContact O-N 2.7Å; D384-R387 PolarHBondContact O-N 3.38Å; D384-R387 IonicContact OD1-NH1 3.3Å; D384-L388 PolarHBondContact O-N 3.19Å
385W91.2Very high83.1Confident2 Ų257 Ų571%0.00829%0.291CS..Hα-helixtrans-56.9-38.6171.7-77111000112.9I379 W382 K383 R387 L388 F391 L509 N513 F519 V520I379-W385 HydrophobicContact CD1-CD2 3.67Å; I379-W385 HydrophobicContact CD1-CE3 3.67Å; I379-W385 HydrophobicContact CD1-CG 4.45Å; I379-W385 HydrophobicContact CD1-CH2 3.57Å; I379-W385 HydrophobicContact CD1-CZ2 3.59Å; I379-W385 HydrophobicContact CD1-CZ3 3.6Å; I379-W385 HydrophobicContact CG2-CD2 4.27Å; I379-W385 HydrophobicContact CG2-CG 4.19Å; I379-W385 HydrophobicContact CG2-CZ2 4.49Å; W382-W385 WeakPolarHBondContact O-CB 3.38Å; W382-W385 PolarHBondContact O-N 3.13Å; K383-W385 VanDerWaalsContact C-N 3.27Å; K383-W385 PolarHBondContact O-N 3.49Å; W385-R387 PolarHBondContact O-N 3.38Å; W385-L388 HydrophobicContact CE3-CD2 3.97Å; W385-L388 HydrophobicContact CZ3-CD2 3.81Å; W385-L388 WeakPolarHBondContact O-CB 3.41Å; W385-L388 PolarHBondContact O-N 3.37Å; W385-L388 VanDerWaalsContact O-N 3.15Å; W385-F391 HydrophobicContact CB-CD2 4.22Å; W385-F391 HydrophobicContact CB-CE2 4.34Å; W385-F391 HydrophobicContact CE3-CB 4.48Å; W385-F391 HydrophobicContact CE3-CD2 4.09Å; W385-F391 WeakPolarHBondContact O-CB 3.49Å; W385-F391 WeakPolarHBondContact O-CG 3.41Å; W385-L509 HydrophobicContact CH2-CG 4.21Å; W385-L509 WeakPolarHBondContact CH2-O 3.45Å; W385-L509 HydrophobicContact CZ3-CD1 4.08Å; W385-L509 HydrophobicContact CZ3-CD2 4.1Å; W385-L509 HydrophobicContact CZ3-CG 3.72Å; W385-N513 HydrophobicContact CZ2-CB 3.97Å; W385-F519 HydrophobicContact CB-CE1 4.24Å; W385-V520 HydrophobicContact CD2-CG2 3.42Å; W385-V520 VanDerWaalsContact CD2-CG2 3.42Å; W385-V520 VanDerWaalsContact CE2-CG2 3.43Å; W385-V520 HydrophobicContact CE3-CG2 3.86Å; W385-V520 HydrophobicContact CG-CG2 3.75Å; W385-V520 HydrophobicContact CH2-CG2 4.31Å; W385-V520 HydrophobicContact CZ2-CG2 3.9Å; W385-V520 HydrophobicContact CZ3-CG2 4.3Å
386L92.9Very high86Confident55 Ų5555.6 Ų55.629%0.28827%0.273SS..THydrogen-bonded Turntrans-69.2-17.2-179.7-58.3178.5000112.9W382 K383 D384 F391 W392 F519 Y523W382-L386 HydrophobicContact CE3-CD1 4.42Å; W382-L386 HydrophobicContact CZ3-CD1 3.98Å; K383-L386 WeakPolarHBondContact O-CB 3.43Å; K383-L386 PolarHBondContact O-N 3.49Å; D384-L386 PolarHBondContact O-N 2.7Å; L386-F391 HydrophobicContact CD2-CE1 3.77Å; L386-F391 HydrophobicContact CD2-CZ 4.05Å; L386-W392 HydrophobicContact CB-CZ2 4.43Å; L386-W392 HydrophobicContact CD2-CH2 4.45Å; L386-W392 HydrophobicContact CD2-CZ2 4.05Å; L386-W392 PolarHBondContact O-NE1 2.93Å; L386-F519 HydrophobicContact CD2-CE1 4.37Å; L386-F519 HydrophobicContact CD2-CZ 4.18Å; L386-F519 HydrophobicContact CG-CZ 4.48Å; L386-Y523 HydrophobicContact CD2-CE2 4.38Å
387R90.3Very high88.2Confident182 Ų18252.8 Ų52.869%0.68725%0.251SS*.THydrogen-bonded Turntrans-89.4-15.2175.9-65.8173.7171.1166.1-9.2112.5Y377 D384 W385 P389Y377-R387 WeakPolarHBondContact OH-CB 3.32Å; D384-R387 PolarHBondContact O-N 3.38Å; D384-R387 IonicContact OD1-NH1 3.3Å; W385-R387 PolarHBondContact O-N 3.38Å; R387-P389 WeakPolarHBondContact O-CD 3.28Å
388L90.2Very high90Very high16 Ų1649.7 Ų49.78%0.08424%0.238CC..  trans-78.2118.2-177.7-176.465.6000110.4I379 D384 W385 L390 F391 L509I379-L388 HydrophobicContact CD1-CD2 4.48Å; D384-L388 PolarHBondContact O-N 3.19Å; W385-L388 HydrophobicContact CE3-CD2 3.97Å; W385-L388 HydrophobicContact CZ3-CD2 3.81Å; W385-L388 WeakPolarHBondContact O-CB 3.41Å; W385-L388 PolarHBondContact O-N 3.37Å; W385-L388 VanDerWaalsContact O-N 3.15Å; L388-L390 VanDerWaalsContact C-N 3.27Å; L388-L390 HydrophobicContact CD2-CB 4.36Å; L388-L390 HydrophobicContact CG-CB 4.13Å; L388-L390 PolarHBondContact O-N 3.16Å; L388-F391 HydrophobicContact CB-CB 4.12Å; L388-F391 HydrophobicContact CD2-CB 4.41Å; L388-F391 HydrophobicContact CG-CB 4.45Å; L388-F391 VanDerWaalsContact O-CB 3.3Å; L388-F391 WeakPolarHBondContact O-CB 3.36Å; L388-F391 PolarHBondContact O-N 3.2Å; L388-F391 VanDerWaalsContact O-N 3.13Å; L388-L509 HydrophobicContact CD2-CD1 3.99Å
389P92.2Very high91.4Very high68 Ų6844.7 Ų44.744%0.44221%0.212SC..Hα-helixtrans-61.1-35.6179.7-25.235.5000113.3R387 F391 W392 I393R387-P389 WeakPolarHBondContact O-CD 3.28Å; P389-F391 PolarHBondContact O-N 3.07Å; P389-W392 PolarHBondContact O-N 3.24Å; P389-I393 WeakPolarHBondContact O-CG1 3.35Å; P389-I393 PolarHBondContact O-N 3.37Å; P389-I393 VanDerWaalsContact O-N 3.1Å
390L92.2Very high92.4Very high16 Ų1645.4 Ų45.48%0.08422%0.215CC..Hα-helixtrans-63-29.5179.3-166.264.8000112.5L388 L394 L509 Y574 Q577L388-L390 VanDerWaalsContact C-N 3.27Å; L388-L390 HydrophobicContact CD2-CB 4.36Å; L388-L390 HydrophobicContact CG-CB 4.13Å; L388-L390 PolarHBondContact O-N 3.16Å; L390-L394 WeakPolarHBondContact O-CB 3.35Å; L390-L394 PolarHBondContact O-N 3.41Å; L390-L509 HydrophobicContact CB-CD1 4.39Å; L390-L509 HydrophobicContact CD2-CD1 3.63Å; L390-L509 HydrophobicContact CG-CD1 4Å; L390-Y574 HydrophobicContact CD1-CD2 3.62Å; L390-Y574 HydrophobicContact CD1-CE2 3.45Å; L390-Y574 VanDerWaalsContact CD1-CE2 3.45Å; L390-Y574 HydrophobicContact CG-CE2 4.07Å; L390-Q577 HydrophobicContact CD1-CB 4.4Å; L390-Q577 HydrophobicContact CD1-CG 4.21Å
391F93.9Very high93.3Very high2 Ų241.4 Ų41.41%0.00919%0.191CC..Hα-helixtrans-63.1-47.1174.9167.9-91.4000111.1W385 L386 L388 P389 G395 L509 V520 Y523 M524W385-F391 HydrophobicContact CB-CD2 4.22Å; W385-F391 HydrophobicContact CB-CE2 4.34Å; W385-F391 HydrophobicContact CE3-CB 4.48Å; W385-F391 HydrophobicContact CE3-CD2 4.09Å; W385-F391 WeakPolarHBondContact O-CB 3.49Å; W385-F391 WeakPolarHBondContact O-CG 3.41Å; L386-F391 HydrophobicContact CD2-CE1 3.77Å; L386-F391 HydrophobicContact CD2-CZ 4.05Å; L388-F391 HydrophobicContact CB-CB 4.12Å; L388-F391 HydrophobicContact CD2-CB 4.41Å; L388-F391 HydrophobicContact CG-CB 4.45Å; L388-F391 VanDerWaalsContact O-CB 3.3Å; L388-F391 WeakPolarHBondContact O-CB 3.36Å; L388-F391 PolarHBondContact O-N 3.2Å; L388-F391 VanDerWaalsContact O-N 3.13Å; P389-F391 PolarHBondContact O-N 3.07Å; F391-G395 PolarHBondContact O-N 2.68Å; F391-L509 HydrophobicContact CB-CD2 4.49Å; F391-V520 HydrophobicContact CD2-CG1 4.07Å; F391-V520 HydrophobicContact CD2-CG2 4.37Å; F391-V520 HydrophobicContact CE2-CB 4.34Å; F391-V520 HydrophobicContact CE2-CG1 3.95Å; F391-V520 HydrophobicContact CE2-CG2 4.16Å; F391-Y523 AromaticContact CE1-CD1 3.8Å; F391-Y523 HydrophobicContact CE1-CD1 3.8Å; F391-Y523 HydrophobicContact CE1-CE1 4.03Å; F391-Y523 HydrophobicContact CE1-CG 4.48Å; F391-Y523 AromaticContact CZ-CD1 3.44Å; F391-Y523 HydrophobicContact CZ-CD1 3.44Å; F391-Y523 VanDerWaalsContact CZ-CD1 3.44Å; F391-Y523 HydrophobicContact CZ-CE1 4.13Å; F391-Y523 AromaticContact CZ-CG 3.79Å; F391-Y523 HydrophobicContact CZ-CG 3.79Å; F391-M524 HydrophobicContact CD2-CE 3.8Å; F391-M524 HydrophobicContact CE2-CE 4.01Å; F391-M524 HydrophobicContact CG-CE 4.38Å; F391-M524 WeakPolarHBondContact O-CE 3.46Å
392W94.7Very high93.7Very high90 Ų9040.6 Ų40.634%0.34118%0.181SC..Hα-helixtrans-69.4-46.5-179.9-66102.9000112.6L386 P389 L394 G395 F396 Y523L386-W392 HydrophobicContact CB-CZ2 4.43Å; L386-W392 HydrophobicContact CD2-CH2 4.45Å; L386-W392 HydrophobicContact CD2-CZ2 4.05Å; L386-W392 PolarHBondContact O-NE1 2.93Å; P389-W392 PolarHBondContact O-N 3.24Å; W392-L394 VanDerWaalsContact C-N 3.28Å; W392-L394 PolarHBondContact O-N 3.45Å; W392-G395 PolarHBondContact O-N 2.89Å; W392-G395 VanDerWaalsContact O-N 3.09Å; W392-F396 HydrophobicContact CE3-CE2 4.41Å; W392-F396 WeakPolarHBondContact O-CD2 3.48Å; W392-F396 PolarHBondContact O-N 3.42Å; W392-Y523 AromaticContact CH2-CE1 3.9Å; W392-Y523 HydrophobicContact CH2-CE1 3.9Å; W392-Y523 AromaticContact CH2-CZ 3.88Å; W392-Y523 VanDerWaalsContact CH2-OH 3.29Å; W392-Y523 WeakPolarHBondContact CH2-OH 3.1Å; W392-Y523 AromaticContact CZ3-CE1 3.72Å; W392-Y523 HydrophobicContact CZ3-CE1 3.72Å
393I96.2Very high94.2Very high23 Ų2337.5 Ų37.512%0.11817%0.17CC..Hα-helixtrans-58.5-45179.2-66.3160.6000110.2P389 G395 F397 F570 I573 Y574 Q577P389-I393 WeakPolarHBondContact O-CG1 3.35Å; P389-I393 PolarHBondContact O-N 3.37Å; P389-I393 VanDerWaalsContact O-N 3.1Å; I393-G395 VanDerWaalsContact C-N 3.34Å; I393-F397 WeakPolarHBondContact O-CB 3.38Å; I393-F397 PolarHBondContact O-N 2.96Å; I393-F570 HydrophobicContact CG2-CD1 4.41Å; I393-I573 HydrophobicContact CD1-CG2 3.85Å; I393-I573 HydrophobicContact CG1-CG2 3.99Å; I393-I573 HydrophobicContact CG2-CB 4.37Å; I393-I573 HydrophobicContact CG2-CG2 3.91Å; I393-Y574 HydrophobicContact CG2-CD2 4.29Å; I393-Q577 HydrophobicContact CD1-CB 3.82Å; I393-Q577 HydrophobicContact CD1-CG 3.72Å
394L95.5Very high94.6Very high0 Ų031.8 Ų31.80%015%0.145CC..Hα-helixtrans-69.4-32.8177.8-171.761.6000112.4L390 W392 F397 Y398 M505 V506 L509 M524 Y574L390-L394 WeakPolarHBondContact O-CB 3.35Å; L390-L394 PolarHBondContact O-N 3.41Å; W392-L394 VanDerWaalsContact C-N 3.28Å; W392-L394 PolarHBondContact O-N 3.45Å; L394-F397 HydrophobicContact CD1-CD1 3.8Å; L394-F397 HydrophobicContact CD1-CE1 4.47Å; L394-F397 PolarHBondContact O-N 3.19Å; L394-Y398 WeakPolarHBondContact O-CB 3.39Å; L394-Y398 PolarHBondContact O-N 3Å; L394-M505 HydrophobicContact CD1-CB 3.92Å; L394-M505 HydrophobicContact CD1-CE 4.07Å; L394-V506 HydrophobicContact CD2-CB 4.39Å; L394-V506 HydrophobicContact CD2-CG2 3.93Å; L394-V506 HydrophobicContact CG-CG2 4.05Å; L394-L509 HydrophobicContact CD2-CB 3.85Å; L394-L509 HydrophobicContact CD2-CD2 3.68Å; L394-L509 HydrophobicContact CD2-CG 4.36Å; L394-M524 HydrophobicContact CB-CE 4.48Å; L394-Y574 HydrophobicContact CB-CD2 4.21Å; L394-Y574 HydrophobicContact CB-CE2 4.11Å; L394-Y574 HydrophobicContact CD1-CD2 4.05Å; L394-Y574 HydrophobicContact CD1-CE2 3.77Å; L394-Y574 HydrophobicContact CD2-CE2 4.29Å; L394-Y574 HydrophobicContact CG-CE2 4.28Å
395G95.8Very high94.9Very high7 Ų731 Ų317%0.07214%0.141CC..Hα-helixtrans-63.1-48.3174.100000113.4F391 W392 I393 Y398 M399 M524F391-G395 PolarHBondContact O-N 2.68Å; W392-G395 PolarHBondContact O-N 2.89Å; W392-G395 VanDerWaalsContact O-N 3.09Å; I393-G395 VanDerWaalsContact C-N 3.34Å; G395-Y398 PolarHBondContact O-N 2.86Å; G395-M399 WeakPolarHBondContact O-CB 3.42Å; G395-M399 PolarHBondContact O-N 2.98Å; G395-M524 WeakPolarHBondContact CA-SD 3.38Å
396F96.7Very high94.8Very high84 Ų8432.8 Ų32.837%0.36815%0.151SC..Hα-helixtrans-65.3-39.7174.4-70.9-63.6000112.2W392 Y398 M399 F400 F570W392-F396 HydrophobicContact CE3-CE2 4.41Å; W392-F396 WeakPolarHBondContact O-CD2 3.48Å; W392-F396 PolarHBondContact O-N 3.42Å; F396-Y398 PolarHBondContact O-N 3.44Å; F396-M399 HydrophobicContact CD1-CE 3.77Å; F396-M399 HydrophobicContact CD1-SD 4.17Å; F396-M399 HydrophobicContact CE1-CE 4.49Å; F396-M399 WeakPolarHBondContact O-CB 3.46Å; F396-M399 PolarHBondContact O-N 3.21Å; F396-F400 WeakPolarHBondContact O-CD2 3.15Å; F396-F400 PolarHBondContact O-N 2.99Å; F396-F570 HydrophobicContact CB-CD1 3.64Å; F396-F570 HydrophobicContact CB-CD2 4.28Å; F396-F570 HydrophobicContact CB-CE1 3.32Å; F396-F570 HydrophobicContact CB-CE2 4.02Å; F396-F570 HydrophobicContact CB-CG 4.12Å; F396-F570 HydrophobicContact CB-CZ 3.53Å; F396-F570 AromaticContact CD2-CE1 3.9Å; F396-F570 HydrophobicContact CD2-CE1 3.9Å; F396-F570 HydrophobicContact CD2-CZ 4.18Å; F396-F570 AromaticContact CG-CE1 3.86Å; F396-F570 HydrophobicContact CG-CE1 3.86Å; F396-F570 AromaticContact CG-CZ 3.88Å; F396-F570 HydrophobicContact CG-CZ 3.88Å
397F96.8Very high94.8Very high0 Ų030.2 Ų30.20%014%0.137CC..Hα-helixtrans-56.1-50.2172.6171.4-98.8000111.9I393 L394 F400 V401 S458 M505 Q567 F570 L571I393-F397 WeakPolarHBondContact O-CB 3.38Å; I393-F397 PolarHBondContact O-N 2.96Å; L394-F397 HydrophobicContact CD1-CD1 3.8Å; L394-F397 HydrophobicContact CD1-CE1 4.47Å; L394-F397 PolarHBondContact O-N 3.19Å; F397-F400 PolarHBondContact O-N 2.97Å; F397-V401 HydrophobicContact CE1-CG2 4.21Å; F397-V401 HydrophobicContact CZ-CG2 4.2Å; F397-V401 WeakPolarHBondContact O-CG2 3.39Å; F397-V401 PolarHBondContact O-N 2.71Å; F397-V401 VanDerWaalsContact O-N 3.12Å; F397-S458 WeakPolarHBondContact CZ-OG 3.27Å; F397-M505 HydrophobicContact CD1-CE 4.47Å; F397-M505 HydrophobicContact CE1-CE 4.03Å; F397-M505 HydrophobicContact CE1-SD 3.71Å; F397-M505 HydrophobicContact CZ-CE 4.35Å; F397-M505 HydrophobicContact CZ-SD 4.02Å; F397-Q567 HydrophobicContact CD2-CG 3.87Å; F397-Q567 HydrophobicContact CE2-CG 3.76Å; F397-F570 HydrophobicContact CB-CB 4.07Å; F397-L571 HydrophobicContact CD2-CB 4.22Å; F397-L571 HydrophobicContact CE2-CB 3.96Å; F397-L571 HydrophobicContact CE2-CD1 3.81Å; F397-L571 HydrophobicContact CE2-CG 4.41Å; F397-L571 HydrophobicContact CZ-CD1 4.22Å
398Y96.5Very high94.9Very high8 Ų821.6 Ų21.63%0.03111%0.105CC..Hα-helixtrans-64.3-40.1178174.7-100.2000112.2L394 G395 F396 F400 V401 R402 L503 M524 D528L394-Y398 WeakPolarHBondContact O-CB 3.39Å; L394-Y398 PolarHBondContact O-N 3Å; G395-Y398 PolarHBondContact O-N 2.86Å; F396-Y398 PolarHBondContact O-N 3.44Å; Y398-F400 PolarHBondContact O-N 2.85Å; Y398-V401 WeakPolarHBondContact O-CB 3.37Å; Y398-V401 PolarHBondContact O-N 3.29Å; Y398-R402 HydrophobicContact CD1-CG 4.21Å; Y398-R402 HydrophobicContact CD2-CG 4.25Å; Y398-R402 HydrophobicContact CE1-CG 3.73Å; Y398-R402 HydrophobicContact CE2-CG 3.78Å; Y398-R402 HydrophobicContact CG-CG 4.44Å; Y398-R402 VanDerWaalsContact CZ-CG 3.48Å; Y398-R402 VanDerWaalsContact O-CG 3.25Å; Y398-R402 WeakPolarHBondContact O-CG 3.48Å; Y398-R402 PolarHBondContact O-N 3.26Å; Y398-R402 WeakPolarHBondContact OH-CD 3.45Å; Y398-R402 PolarHBondContact OH-NE 3.32Å; Y398-L503 HydrophobicContact CE2-CD2 3.7Å; Y398-L503 HydrophobicContact CE2-CG 4.21Å; Y398-M524 HydrophobicContact CD1-CB 3.98Å; Y398-M524 HydrophobicContact CE1-CB 4.23Å; Y398-D528 HydrophobicContact CD1-CB 4.4Å; Y398-D528 HydrophobicContact CE1-CB 3.98Å; Y398-D528 WeakPolarHBondContact CE1-OD2 3.41Å; Y398-D528 PolarHBondContact OH-OD2 3Å; Y398-D528 VanDerWaalsContact OH-OD2 3.07Å
399M97Very high94.8Very high25 Ų2524.1 Ų24.112%0.12312%0.116CC..Hα-helixtrans-56.7-47175.2-179.6-168.476.900111.6G395 F396 R402 L403 A531G395-M399 WeakPolarHBondContact O-CB 3.42Å; G395-M399 PolarHBondContact O-N 2.98Å; F396-M399 HydrophobicContact CD1-CE 3.77Å; F396-M399 HydrophobicContact CD1-SD 4.17Å; F396-M399 HydrophobicContact CE1-CE 4.49Å; F396-M399 WeakPolarHBondContact O-CB 3.46Å; F396-M399 PolarHBondContact O-N 3.21Å; M399-R402 PolarHBondContact O-N 3.46Å; M399-L403 WeakPolarHBondContact O-CG 3.39Å; M399-L403 PolarHBondContact O-N 2.98Å; M399-A531 HydrophobicContact CG-CB 3.58Å; M399-A531 HydrophobicContact SD-CB 3.63Å
400F98Very high94.4Very high26 Ų2623 Ų2311%0.11411%0.113CC..Hα-helixtrans-67.6-36.9177.7-76.2-66.6000113.2F396 F397 Y398 R402 L403 I404 F563 C566 Q567 F570F396-F400 WeakPolarHBondContact O-CD2 3.15Å; F396-F400 PolarHBondContact O-N 2.99Å; F397-F400 PolarHBondContact O-N 2.97Å; Y398-F400 PolarHBondContact O-N 2.85Å; F400-R402 VanDerWaalsContact C-N 3.25Å; F400-R402 PolarHBondContact O-N 3.13Å; F400-L403 HydrophobicContact CD1-CD1 3.9Å; F400-L403 HydrophobicContact CE1-CD1 4.15Å; F400-L403 PolarHBondContact O-N 3.26Å; F400-I404 WeakPolarHBondContact O-CD1 3.42Å; F400-I404 WeakPolarHBondContact O-CG1 3.44Å; F400-I404 PolarHBondContact O-N 3.36Å; F400-F563 HydrophobicContact CD1-CB 4.3Å; F400-F563 HydrophobicContact CD1-CD1 4.17Å; F400-F563 HydrophobicContact CE1-CD1 4.21Å; F400-C566 HydrophobicContact CD1-CB 3.69Å; F400-C566 HydrophobicContact CD2-CB 4.01Å; F400-C566 HydrophobicContact CE1-CB 3.49Å; F400-C566 VanDerWaalsContact CE1-CB 3.49Å; F400-C566 HydrophobicContact CE2-CB 3.85Å; F400-C566 HydrophobicContact CG-CB 3.95Å; F400-C566 HydrophobicContact CZ-CB 3.59Å; F400-Q567 HydrophobicContact CB-CB 3.89Å; F400-Q567 HydrophobicContact CB-CG 4.35Å; F400-F570 AromaticContact CD2-CD2 3.81Å; F400-F570 HydrophobicContact CD2-CD2 3.81Å; F400-F570 HydrophobicContact CD2-CE2 4.12Å; F400-F570 AromaticContact CE2-CD2 3.7Å; F400-F570 HydrophobicContact CE2-CD2 3.7Å; F400-F570 AromaticContact CE2-CE2 3.53Å; F400-F570 HydrophobicContact CE2-CE2 3.53Å
401V97.9Very high94.2Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-54.5-47.4171.1168.30000110.5F397 Y398 I404 V405 I498 L499 Q567F397-V401 HydrophobicContact CE1-CG2 4.21Å; F397-V401 HydrophobicContact CZ-CG2 4.2Å; F397-V401 WeakPolarHBondContact O-CG2 3.39Å; F397-V401 PolarHBondContact O-N 2.71Å; F397-V401 VanDerWaalsContact O-N 3.12Å; Y398-V401 WeakPolarHBondContact O-CB 3.37Å; Y398-V401 PolarHBondContact O-N 3.29Å; V401-I404 PolarHBondContact O-N 3.16Å; V401-V405 WeakPolarHBondContact O-CG2 3.42Å; V401-V405 PolarHBondContact O-N 3.43Å; V401-I498 HydrophobicContact CB-CD1 4.45Å; V401-I498 HydrophobicContact CG1-CB 4.31Å; V401-I498 HydrophobicContact CG1-CD1 4Å; V401-I498 HydrophobicContact CG1-CG1 3.99Å; V401-I498 HydrophobicContact CG2-CB 4.38Å; V401-I498 HydrophobicContact CG2-CD1 4.5Å; V401-L499 HydrophobicContact CG1-CB 4.45Å; V401-L499 HydrophobicContact CG1-CD1 4.21Å; V401-Q567 VanDerWaalsContact CG2-CD 3.46Å; V401-Q567 HydrophobicContact CG2-CG 4.13Å
402R95.1Very high94Very high41 Ų4122.9 Ų22.916%0.15511%0.112CC..Hα-helixtrans-71.7-35-177-64.5-72.8-70.8156.9-0.1112Y398 M399 F400 N406 D528Y398-R402 HydrophobicContact CD1-CG 4.21Å; Y398-R402 HydrophobicContact CD2-CG 4.25Å; Y398-R402 HydrophobicContact CE1-CG 3.73Å; Y398-R402 HydrophobicContact CE2-CG 3.78Å; Y398-R402 HydrophobicContact CG-CG 4.44Å; Y398-R402 VanDerWaalsContact CZ-CG 3.48Å; Y398-R402 VanDerWaalsContact O-CG 3.25Å; Y398-R402 WeakPolarHBondContact O-CG 3.48Å; Y398-R402 PolarHBondContact O-N 3.26Å; Y398-R402 WeakPolarHBondContact OH-CD 3.45Å; Y398-R402 PolarHBondContact OH-NE 3.32Å; M399-R402 PolarHBondContact O-N 3.46Å; F400-R402 VanDerWaalsContact C-N 3.25Å; F400-R402 PolarHBondContact O-N 3.13Å; R402-N406 WeakPolarHBondContact O-CB 3.43Å; R402-N406 PolarHBondContact O-N 3.16Å; R402-N406 PolarHBondContact O-ND2 3.3Å; R402-D528 HydrophobicContact CB-CB 3.77Å; R402-D528 HydrophobicContact CG-CB 3.97Å; R402-D528 VanDerWaalsContact CG-OD2 3.27Å; R402-D528 WeakPolarHBondContact CG-OD2 3.49Å; R402-D528 IonicContact CZ-OD2 3.89Å; R402-D528 IonicContact NE-OD2 3.61Å; R402-D528 PolarHBondContact NE-OD2 3.43Å; R402-D528 IonicContact NH2-OD2 3.97Å
403L96.3Very high93.5Very high4 Ų420.7 Ų20.72%0.02111%0.108CC..Hα-helixtrans-59.5-49170.1-78.5171.7000111.3M399 F400 V405 V407 A531 N532 V535 F563M399-L403 WeakPolarHBondContact O-CG 3.39Å; M399-L403 PolarHBondContact O-N 2.98Å; F400-L403 HydrophobicContact CD1-CD1 3.9Å; F400-L403 HydrophobicContact CE1-CD1 4.15Å; F400-L403 PolarHBondContact O-N 3.26Å; L403-V405 PolarHBondContact O-N 3.47Å; L403-V407 HydrophobicContact CD2-CG2 4.42Å; L403-V407 WeakPolarHBondContact O-CB 3.3Å; L403-V407 WeakPolarHBondContact O-CG2 3.38Å; L403-V407 PolarHBondContact O-N 3.16Å; L403-A531 HydrophobicContact CD1-CB 4.23Å; L403-A531 HydrophobicContact CD2-CB 4.25Å; L403-A531 HydrophobicContact CG-CB 4.35Å; L403-N532 HydrophobicContact CD2-CB 4.49Å; L403-V535 HydrophobicContact CD1-CG2 4.39Å; L403-V535 HydrophobicContact CD2-CB 3.88Å; L403-V535 HydrophobicContact CD2-CG1 4.21Å; L403-V535 HydrophobicContact CD2-CG2 3.7Å; L403-F563 HydrophobicContact CB-CD2 4.16Å; L403-F563 HydrophobicContact CB-CE2 4.48Å; L403-F563 HydrophobicContact CB-CG 4.3Å; L403-F563 HydrophobicContact CD1-CD1 4.32Å; L403-F563 HydrophobicContact CD1-CE1 4.34Å
404I98Very high92.9Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-58.1-50.9178.1-70157.9000110.9F400 V401 S408 L462 I465 I498 I560 F563 V564 Q567F400-I404 WeakPolarHBondContact O-CD1 3.42Å; F400-I404 WeakPolarHBondContact O-CG1 3.44Å; F400-I404 PolarHBondContact O-N 3.36Å; V401-I404 PolarHBondContact O-N 3.16Å; I404-S408 WeakPolarHBondContact O-CB 3.5Å; I404-S408 PolarHBondContact O-N 3.03Å; I404-S408 VanDerWaalsContact O-N 3.12Å; I404-S408 PolarHBondContact O-OG 3.2Å; I404-L462 HydrophobicContact CD1-CD2 4.36Å; I404-I465 HydrophobicContact CG2-CD1 3.69Å; I404-I465 HydrophobicContact CG2-CG2 3.94Å; I404-I498 HydrophobicContact CB-CD1 4.28Å; I404-I498 HydrophobicContact CD1-CD1 4.34Å; I404-I498 HydrophobicContact CG2-CD1 4Å; I404-I560 HydrophobicContact CG1-CG2 4.44Å; I404-I560 HydrophobicContact CG2-CG2 4.05Å; I404-F563 HydrophobicContact CD1-CB 4.13Å; I404-F563 HydrophobicContact CG1-CB 3.52Å; I404-V564 HydrophobicContact CD1-CG2 3.9Å; I404-V564 HydrophobicContact CG1-CG2 4.31Å; I404-Q567 HydrophobicContact CD1-CB 4.18Å
405V95.1Very high92.5Very high3 Ų322.7 Ų22.72%0.01812%0.118CC..Hα-helixtrans-65.2-47.3-177.71740000111.7V401 L403 S408 Q409 C495 I498 L499V401-V405 WeakPolarHBondContact O-CG2 3.42Å; V401-V405 PolarHBondContact O-N 3.43Å; L403-V405 PolarHBondContact O-N 3.47Å; V405-S408 PolarHBondContact O-OG 3.16Å; V405-Q409 WeakPolarHBondContact O-CB 3.48Å; V405-Q409 VanDerWaalsContact O-CG 3.28Å; V405-Q409 WeakPolarHBondContact O-CG 3.47Å; V405-Q409 PolarHBondContact O-N 2.8Å; V405-Q409 VanDerWaalsContact O-N 3.15Å; V405-C495 HydrophobicContact CG2-CB 3.98Å; V405-I498 HydrophobicContact CG2-CD1 4.29Å; V405-I498 HydrophobicContact CG2-CG1 4.49Å; V405-L499 HydrophobicContact CG2-CB 4.45Å
406N90.7Very high92.1Very high39 Ų3922.4 Ų22.421%0.20912%0.115CC..Hα-helixtrans-76.7-40.5-173.1-63.8-14.5000112.1R402 Q409 A410 N532R402-N406 WeakPolarHBondContact O-CB 3.43Å; R402-N406 PolarHBondContact O-N 3.16Å; R402-N406 PolarHBondContact O-ND2 3.3Å; N406-Q409 PolarHBondContact O-N 3.13Å; N406-A410 VanDerWaalsContact O-CB 3.25Å; N406-A410 WeakPolarHBondContact O-CB 3.49Å; N406-A410 PolarHBondContact O-N 3.16Å; N406-N532 VanDerWaalsContact CB-OD1 3.29Å; N406-N532 WeakPolarHBondContact CB-OD1 3.1Å; N406-N532 PolarHBondContact ND2-ND2 3.06Å; N406-N532 PolarHBondContact ND2-OD1 3.38Å
407V91.2Very high91.3Very high1 Ų122 Ų221%0.00612%0.116CC..Hα-helixtrans-66.8-46.1178.3175.70000110L403 Q409 A410 Y411 V535 I539 V555 F563L403-V407 HydrophobicContact CD2-CG2 4.42Å; L403-V407 WeakPolarHBondContact O-CB 3.3Å; L403-V407 WeakPolarHBondContact O-CG2 3.38Å; L403-V407 PolarHBondContact O-N 3.16Å; V407-Q409 VanDerWaalsContact C-N 3.32Å; V407-Q409 PolarHBondContact O-N 2.75Å; V407-A410 PolarHBondContact O-N 3.49Å; V407-Y411 HydrophobicContact CG1-CD2 3.77Å; V407-Y411 HydrophobicContact CG1-CE2 4.25Å; V407-Y411 WeakPolarHBondContact O-CD2 3.1Å; V407-Y411 PolarHBondContact O-N 2.74Å; V407-V535 HydrophobicContact CG2-CG1 3.95Å; V407-I539 HydrophobicContact CG1-CD1 3.96Å; V407-V555 HydrophobicContact CG1-CG1 4.26Å; V407-F563 HydrophobicContact CG1-CE2 4.44Å; V407-F563 HydrophobicContact CG2-CE2 4.19Å
408S93.5Very high90.5Very high1 Ų125.2 Ų25.21%0.00713%0.131CC..Hα-helixtrans-58.1-43.3175.763.20000112.5I404 V405 L412 E556 I560I404-S408 WeakPolarHBondContact O-CB 3.5Å; I404-S408 PolarHBondContact O-N 3.03Å; I404-S408 VanDerWaalsContact O-N 3.12Å; I404-S408 PolarHBondContact O-OG 3.2Å; V405-S408 PolarHBondContact O-OG 3.16Å; S408-L412 WeakPolarHBondContact O-CB 3.05Å; S408-L412 PolarHBondContact O-N 2.84Å; S408-E556 WeakPolarHBondContact CA-OE1 3.5Å; S408-I560 VanDerWaalsContact CB-CD1 3.47Å
409Q88.5Confident90Very high69 Ų6925.4 Ų25.432%0.32213%0.134SC..Hα-helixtrans-68.9-38.2177.9-74.6-171.7-19.100113V405 N406 V407V405-Q409 WeakPolarHBondContact O-CB 3.48Å; V405-Q409 VanDerWaalsContact O-CG 3.28Å; V405-Q409 WeakPolarHBondContact O-CG 3.47Å; V405-Q409 PolarHBondContact O-N 2.8Å; V405-Q409 VanDerWaalsContact O-N 3.15Å; N406-Q409 PolarHBondContact O-N 3.13Å; V407-Q409 VanDerWaalsContact C-N 3.32Å; V407-Q409 PolarHBondContact O-N 2.75Å
410A83.2Confident89.5Confident45 Ų4524.9 Ų24.937%0.37213%0.131SC..Hα-helixtrans-68.5-39.3-178.900000112.6N406 V407N406-A410 VanDerWaalsContact O-CB 3.25Å; N406-A410 WeakPolarHBondContact O-CB 3.49Å; N406-A410 PolarHBondContact O-N 3.16Å; V407-A410 PolarHBondContact O-N 3.49Å
411Y88.8Confident88.9Confident6 Ų631.4 Ų31.42%0.02416%0.155CC..Hα-helixtrans-100.2-13.7-172.4-73.1-71.1000114.8V407 T413 I414 Y415 I536 I539 E540 Y552 V555 E556V407-Y411 HydrophobicContact CG1-CD2 3.77Å; V407-Y411 HydrophobicContact CG1-CE2 4.25Å; V407-Y411 WeakPolarHBondContact O-CD2 3.1Å; V407-Y411 PolarHBondContact O-N 2.74Å; Y411-T413 VanDerWaalsContact C-N 3.33Å; Y411-T413 PolarHBondContact O-N 3.26Å; Y411-I414 HydrophobicContact CD1-CD1 3.82Å; Y411-I414 HydrophobicContact CE1-CD1 4.04Å; Y411-I414 PolarHBondContact O-N 3.49Å; Y411-I414 VanDerWaalsContact O-N 3.15Å; Y411-Y415 WeakPolarHBondContact O-CB 3.29Å; Y411-Y415 PolarHBondContact O-N 3.15Å; Y411-I536 HydrophobicContact CE2-CG1 4.4Å; Y411-I539 HydrophobicContact CD2-CD1 4.34Å; Y411-I539 HydrophobicContact CE1-CG2 3.9Å; Y411-I539 HydrophobicContact CE2-CB 4.35Å; Y411-I539 HydrophobicContact CE2-CD1 3.72Å; Y411-I539 HydrophobicContact CE2-CG2 3.97Å; Y411-I539 WeakPolarHBondContact OH-CG2 3.29Å; Y411-E540 WeakPolarHBondContact CE1-OE1 3.43Å; Y411-E540 VanDerWaalsContact CZ-OE1 3.31Å; Y411-E540 PolarHBondContact OH-OE1 3.41Å; Y411-Y552 AromaticContact CD1-CD1 3.63Å; Y411-Y552 HydrophobicContact CD1-CD1 3.63Å; Y411-Y552 AromaticContact CD1-CE1 3.69Å; Y411-Y552 HydrophobicContact CD1-CE1 3.69Å; Y411-Y552 HydrophobicContact CE1-CD1 4.06Å; Y411-Y552 AromaticContact CE1-CE1 3.65Å; Y411-Y552 HydrophobicContact CE1-CE1 3.65Å; Y411-V555 HydrophobicContact CD2-CG1 4.12Å; Y411-V555 HydrophobicContact CG-CG1 4.19Å; Y411-E556 VanDerWaalsContact CB-OE1 3.27Å; Y411-E556 WeakPolarHBondContact CB-OE1 3.06Å
412L89.2Confident88.2Confident8 Ų832.4 Ų32.44%0.04216%0.16CC..Hα-helixtrans-52.9-47.3177.4178.562.5000112.7S408 Y415 L416 V430 P431 V434 L491 E556S408-L412 WeakPolarHBondContact O-CB 3.05Å; S408-L412 PolarHBondContact O-N 2.84Å; L412-Y415 HydrophobicContact CD1-CD1 4.39Å; L412-Y415 PolarHBondContact O-N 3.03Å; L412-L416 HydrophobicContact CG-CD1 4.42Å; L412-L416 VanDerWaalsContact O-CG 3.23Å; L412-L416 WeakPolarHBondContact O-CG 3.33Å; L412-L416 PolarHBondContact O-N 3.48Å; L412-L416 VanDerWaalsContact O-N 3.08Å; L412-V430 HydrophobicContact CD1-CG1 4.32Å; L412-V430 HydrophobicContact CD2-CG1 4.21Å; L412-V430 HydrophobicContact CG-CG1 4.44Å; L412-P431 HydrophobicContact CD2-CG 4.44Å; L412-V434 HydrophobicContact CD2-CG2 3.89Å; L412-L491 HydrophobicContact CD2-CD2 4.36Å; L412-E556 PolarHBondContact N-OE1 2.89Å
413T83.5Confident87.4Confident44 Ų4434.4 Ų34.427%0.2718%0.179SC..Hα-helixtrans-67.7-38.8-179.4550000112.3Y411 L416 L417 M427 P431Y411-T413 VanDerWaalsContact C-N 3.33Å; Y411-T413 PolarHBondContact O-N 3.26Å; T413-L416 PolarHBondContact O-N 3.31Å; T413-L417 PolarHBondContact O-N 2.96Å; T413-L417 VanDerWaalsContact O-N 3.07Å; T413-M427 HydrophobicContact CG2-CB 4.22Å; T413-P431 HydrophobicContact CG2-CG 4.04Å
414I83.2Confident86.2Confident57 Ų5739.8 Ų39.829%0.29220%0.202SC..Hα-helixtrans-65-43.2176.8-59.3175.6000110.1Y411 L416 L417 H418 Y552Y411-I414 HydrophobicContact CD1-CD1 3.82Å; Y411-I414 HydrophobicContact CE1-CD1 4.04Å; Y411-I414 PolarHBondContact O-N 3.49Å; Y411-I414 VanDerWaalsContact O-N 3.15Å; I414-L416 PolarHBondContact O-N 2.95Å; I414-L417 PolarHBondContact O-N 2.83Å; I414-H418 HydrophobicContact CG2-CB 4.32Å; I414-H418 WeakPolarHBondContact O-CA 3.2Å; I414-H418 WeakPolarHBondContact O-CB 3.34Å; I414-H418 PolarHBondContact O-N 2.92Å; I414-Y552 HydrophobicContact CG2-CD1 3.83Å; I414-Y552 HydrophobicContact CG2-CD2 3.53Å; I414-Y552 HydrophobicContact CG2-CE1 3.83Å; I414-Y552 HydrophobicContact CG2-CE2 3.51Å; I414-Y552 HydrophobicContact CG2-CG 3.67Å
415Y88.7Confident85.2Confident9 Ų945.3 Ų45.34%0.03523%0.23CC..Iπ-helixtrans-57.4-46.6173.5160.9-113.4000112.1Y411 L412 L417 S419 L420 V472 Q553 E556Y411-Y415 WeakPolarHBondContact O-CB 3.29Å; Y411-Y415 PolarHBondContact O-N 3.15Å; L412-Y415 HydrophobicContact CD1-CD1 4.39Å; L412-Y415 PolarHBondContact O-N 3.03Å; Y415-L417 PolarHBondContact O-N 3.43Å; Y415-S419 WeakPolarHBondContact O-CA 3.47Å; Y415-S419 VanDerWaalsContact O-CB 3.3Å; Y415-S419 WeakPolarHBondContact O-CB 3.22Å; Y415-S419 PolarHBondContact O-N 2.87Å; Y415-L420 HydrophobicContact CD2-CG 4.41Å; Y415-L420 HydrophobicContact CE1-CD1 3.8Å; Y415-L420 HydrophobicContact CE1-CG 4.24Å; Y415-L420 HydrophobicContact CE2-CD1 4.19Å; Y415-L420 HydrophobicContact CE2-CD2 3.84Å; Y415-L420 HydrophobicContact CE2-CG 3.77Å; Y415-L420 PolarHBondContact O-N 3.43Å; Y415-V472 HydrophobicContact CE1-CG1 4.46Å; Y415-V472 HydrophobicContact CE2-CG1 4.13Å; Y415-V472 PolarHBondContact OH-O 3.17Å; Y415-Q553 HydrophobicContact CD2-CB 3.86Å; Y415-Q553 HydrophobicContact CD2-CG 4.4Å; Y415-Q553 HydrophobicContact CE2-CB 3.67Å; Y415-Q553 HydrophobicContact CE2-CG 3.73Å; Y415-E556 HydrophobicContact CG-CG 4.25Å
416L86.3Confident84.3Confident0 Ų045.7 Ų45.70%023%0.232CC..Iπ-helixtrans-62.5-43.7179.6-65.1169.5000112.7L412 T413 I414 L420 R421 L422 V430 I484L412-L416 HydrophobicContact CG-CD1 4.42Å; L412-L416 VanDerWaalsContact O-CG 3.23Å; L412-L416 WeakPolarHBondContact O-CG 3.33Å; L412-L416 PolarHBondContact O-N 3.48Å; L412-L416 VanDerWaalsContact O-N 3.08Å; T413-L416 PolarHBondContact O-N 3.31Å; I414-L416 PolarHBondContact O-N 2.95Å; L416-L420 HydrophobicContact CD2-CD1 4.13Å; L416-L420 WeakPolarHBondContact O-CB 3.48Å; L416-R421 PolarHBondContact O-N 3.31Å; L416-L422 HydrophobicContact CD2-CD1 4.04Å; L416-L422 PolarHBondContact O-N 3.44Å; L416-L422 VanDerWaalsContact O-N 3.11Å; L416-V430 HydrophobicContact CD1-CB 3.58Å; L416-V430 HydrophobicContact CD1-CG1 3.8Å; L416-V430 HydrophobicContact CD1-CG2 3.83Å; L416-V430 HydrophobicContact CD2-CG1 4.42Å; L416-V430 HydrophobicContact CD2-CG2 4.24Å; L416-I484 HydrophobicContact CD2-CG2 3.51Å
417L80.2Confident83.5Confident76 Ų7646.5 Ų46.540%0.39824%0.235SC..Iπ-helixtrans-80.8-47.5-176.5-175.970.6000112.1T413 I414 Y415 R421 K424 M427T413-L417 PolarHBondContact O-N 2.96Å; T413-L417 VanDerWaalsContact O-N 3.07Å; I414-L417 PolarHBondContact O-N 2.83Å; Y415-L417 PolarHBondContact O-N 3.43Å; L417-R421 VanDerWaalsContact O-CA 3.24Å; L417-R421 WeakPolarHBondContact O-CA 3.42Å; L417-R421 PolarHBondContact O-N 2.94Å; L417-K424 HydrophobicContact CD1-CG 4.22Å; L417-M427 HydrophobicContact CB-SD 3.86Å; L417-M427 HydrophobicContact CD1-SD 4.47Å; L417-M427 HydrophobicContact CD2-CE 4.46Å; L417-M427 HydrophobicContact CD2-SD 4.04Å; L417-M427 HydrophobicContact CG-SD 4.35Å
418H80Confident82.7Confident68 Ų6849.3 Ų49.332%0.31526%0.259SS..Iπ-helixtrans-82.3-55.7-173.5-171.283.5000111.5I414 W543 L549 Y552I414-H418 HydrophobicContact CG2-CB 4.32Å; I414-H418 WeakPolarHBondContact O-CA 3.2Å; I414-H418 WeakPolarHBondContact O-CB 3.34Å; I414-H418 PolarHBondContact O-N 2.92Å; H418-W543 AromaticContact CD2-CH2 3.83Å; H418-W543 AromaticContact CE1-CH2 3.55Å; H418-W543 AromaticContact CE1-CZ2 3.84Å; H418-W543 AromaticContact NE2-CH2 3.16Å; H418-W543 WeakPolarHBondContact NE2-CH2 3.04Å; H418-W543 AromaticContact NE2-CZ2 3.92Å; H418-L549 WeakPolarHBondContact O-CD1 3.45Å; H418-Y552 HydrophobicContact CB-CD2 4.21Å; H418-Y552 AromaticContact CD2-CD2 3.95Å
419S85.9Confident82.2Confident12 Ų1252.5 Ų52.58%0.08428%0.276CS..Iπ-helixtrans-77.3-43.1-174.1-62.60000112.7Y415 L549 Q553Y415-S419 WeakPolarHBondContact O-CA 3.47Å; Y415-S419 VanDerWaalsContact O-CB 3.3Å; Y415-S419 WeakPolarHBondContact O-CB 3.22Å; Y415-S419 PolarHBondContact O-N 2.87Å; S419-L549 VanDerWaalsContact CA-O 3.28Å; S419-L549 WeakPolarHBondContact CA-O 3.49Å; S419-L549 WeakPolarHBondContact CB-O 3.14Å; S419-L549 PolarHBondContact OG-O 3.3Å; S419-Q553 PolarHBondContact OG-N 3.01Å
420L86.9Confident82.2Confident13 Ų1349.3 Ų49.37%0.06826%0.261CS..SBendtrans-92.7-11.7-179-56.7-172.5000114.3Y415 L416 L422 P475 P479 I484Y415-L420 HydrophobicContact CD2-CG 4.41Å; Y415-L420 HydrophobicContact CE1-CD1 3.8Å; Y415-L420 HydrophobicContact CE1-CG 4.24Å; Y415-L420 HydrophobicContact CE2-CD1 4.19Å; Y415-L420 HydrophobicContact CE2-CD2 3.84Å; Y415-L420 HydrophobicContact CE2-CG 3.77Å; Y415-L420 PolarHBondContact O-N 3.43Å; L416-L420 HydrophobicContact CD2-CD1 4.13Å; L416-L420 WeakPolarHBondContact O-CB 3.48Å; L420-L422 HydrophobicContact CB-CD1 3.9Å; L420-L422 HydrophobicContact CB-CG 3.83Å; L420-L422 HydrophobicContact CD1-CD1 3.89Å; L420-L422 PolarHBondContact O-N 3.43Å; L420-P475 HydrophobicContact CD1-CB 4.28Å; L420-P475 HydrophobicContact CD2-CB 3.61Å; L420-P475 HydrophobicContact CD2-CG 3.65Å; L420-P479 HydrophobicContact CB-CG 4.38Å; L420-P479 HydrophobicContact CD2-CG 4.49Å; L420-I484 HydrophobicContact CD1-CD1 3.5Å; L420-I484 VanDerWaalsContact CD1-CD1 3.5Å; L420-I484 HydrophobicContact CD1-CG1 4.11Å
421R84.7Confident82.4Confident164 Ų16447.8 Ų47.862%0.61925%0.247SC*.  trans52.937.3-179.2-59.6-177.2177.3176-1.2113.5L416 L417L416-R421 PolarHBondContact O-N 3.31Å; L417-R421 VanDerWaalsContact O-CA 3.24Å; L417-R421 WeakPolarHBondContact O-CA 3.42Å; L417-R421 PolarHBondContact O-N 2.94Å
422L82.6Confident82.3Confident21 Ų2150.7 Ų50.711%0.1126%0.263CS..  trans-79158.1179.5-66.7170.7000112L416 L420 T426 P479 I484L416-L422 HydrophobicContact CD2-CD1 4.04Å; L416-L422 PolarHBondContact O-N 3.44Å; L416-L422 VanDerWaalsContact O-N 3.11Å; L420-L422 HydrophobicContact CB-CD1 3.9Å; L420-L422 HydrophobicContact CB-CG 3.83Å; L420-L422 HydrophobicContact CD1-CD1 3.89Å; L420-L422 PolarHBondContact O-N 3.43Å; L422-T426 HydrophobicContact CB-CG2 4.09Å; L422-T426 WeakPolarHBondContact CB-OG1 3.21Å; L422-T426 HydrophobicContact CD1-CG2 4.49Å; L422-P479 HydrophobicContact CD2-CB 4.33Å; L422-I484 HydrophobicContact CD1-CD1 3.38Å
423P79.7Confident82.4Confident83 Ų8351.8 Ų51.854%0.53927%0.27SS..  trans-59.2143175.9-21.532.8000111.6I425 T426P423-I425 HydrophobicContact CB-CG2 4.2Å; P423-I425 PolarHBondContact O-N 3.47Å; P423-T426 PolarHBondContact O-N 3.37Å; P423-T426 PolarHBondContact O-OG1 3.03Å
424K71.1Confident82.9Confident116 Ų11650 Ų5050%0.50426%0.259SS..THydrogen-bonded Turntrans-49.8-30.2-176.6-67.8-179.6178.5179.60114.2I313 L417 T426 M427I313-K424 PolarHBondContact O-NZ 2.91Å; L417-K424 HydrophobicContact CD1-CG 4.22Å; K424-T426 PolarHBondContact O-N 3.28Å; K424-M427 HydrophobicContact CB-CE 3.97Å; K424-M427 HydrophobicContact CG-CE 4.14Å; K424-M427 WeakPolarHBondContact O-CB 3.31Å; K424-M427 PolarHBondContact O-N 3.41Å; K424-M427 VanDerWaalsContact O-N 3.08Å
425I75.9Confident83.3Confident116 Ų11648 Ų4860%0.59525%0.248SC*.THydrogen-bonded Turntrans-59.4-29.4177.8-162.7165.1000113.4P423 M427 A428 L429P423-I425 HydrophobicContact CB-CG2 4.2Å; P423-I425 PolarHBondContact O-N 3.47Å; I425-M427 PolarHBondContact O-N 2.96Å; I425-A428 PolarHBondContact O-N 3.28Å; I425-A428 VanDerWaalsContact O-N 3.11Å; I425-L429 HydrophobicContact CG1-CD1 4.13Å; I425-L429 HydrophobicContact CG1-CG 4.4Å; I425-L429 PolarHBondContact O-N 3.4Å
426T76.2Confident83.5Confident11 Ų1152 Ų527%0.06727%0.27CS..Hα-helixtrans-66.3-24.8177.7620000112.1L422 P423 K424 A428 L429 V430L422-T426 HydrophobicContact CB-CG2 4.09Å; L422-T426 WeakPolarHBondContact CB-OG1 3.21Å; L422-T426 HydrophobicContact CD1-CG2 4.49Å; P423-T426 PolarHBondContact O-N 3.37Å; P423-T426 PolarHBondContact O-OG1 3.03Å; K424-T426 PolarHBondContact O-N 3.28Å; T426-A428 PolarHBondContact O-N 2.94Å; T426-L429 PolarHBondContact O-N 3.07Å; T426-V430 VanDerWaalsContact O-CB 3.29Å; T426-V430 WeakPolarHBondContact O-CB 3.29Å; T426-V430 VanDerWaalsContact O-CG2 3.28Å; T426-V430 WeakPolarHBondContact O-CG2 3.43Å; T426-V430 PolarHBondContact O-N 3.46Å
427M73.4Confident84Confident56 Ų5653.7 Ų53.728%0.27628%0.28SS..Hα-helixtrans-67.3-19.2175.2-59.4-169.8-63.400113T413 L417 K424 I425 P431T413-M427 HydrophobicContact CG2-CB 4.22Å; L417-M427 HydrophobicContact CB-SD 3.86Å; L417-M427 HydrophobicContact CD1-SD 4.47Å; L417-M427 HydrophobicContact CD2-CE 4.46Å; L417-M427 HydrophobicContact CD2-SD 4.04Å; L417-M427 HydrophobicContact CG-SD 4.35Å; K424-M427 HydrophobicContact CB-CE 3.97Å; K424-M427 HydrophobicContact CG-CE 4.14Å; K424-M427 WeakPolarHBondContact O-CB 3.31Å; K424-M427 PolarHBondContact O-N 3.41Å; K424-M427 VanDerWaalsContact O-N 3.08Å; I425-M427 PolarHBondContact O-N 2.96Å; M427-P431 WeakPolarHBondContact O-CD 3.44Å; M427-P431 WeakPolarHBondContact O-CG 3.14Å
428A74.7Confident84.8Confident61 Ų6150.1 Ų50.150%0.50426%0.261SS..Hα-helixtrans-92.8-45172.200000111.2I425 T426 L432I425-A428 PolarHBondContact O-N 3.28Å; I425-A428 VanDerWaalsContact O-N 3.11Å; T426-A428 PolarHBondContact O-N 2.94Å; A428-L432 VanDerWaalsContact O-CB 3.29Å; A428-L432 WeakPolarHBondContact O-CB 3.44Å; A428-L432 PolarHBondContact O-N 3.33Å; A428-L432 VanDerWaalsContact O-N 3.11Å
429L83.5Confident85.5Confident67 Ų6748.8 Ų48.835%0.35126%0.256SS..Hα-helixtrans-71.5-35-174.1-64.2176.3000113.6I425 T426 L432 T433 Y485I425-L429 HydrophobicContact CG1-CD1 4.13Å; I425-L429 HydrophobicContact CG1-CG 4.4Å; I425-L429 PolarHBondContact O-N 3.4Å; T426-L429 PolarHBondContact O-N 3.07Å; L429-L432 HydrophobicContact CD2-CD2 4.39Å; L429-L432 WeakPolarHBondContact O-CB 3.28Å; L429-L432 PolarHBondContact O-N 3.17Å; L429-T433 PolarHBondContact O-N 3Å; L429-T433 PolarHBondContact O-OG1 3.37Å; L429-Y485 HydrophobicContact CB-CE1 4Å; L429-Y485 WeakPolarHBondContact CB-OH 3.36Å; L429-Y485 WeakPolarHBondContact CD1-OH 3.42Å
430V88.3Confident86Confident2 Ų251 Ų511%0.01228%0.275CS..Hα-helixtrans-71.1-50.3-179.3176.70000111.1L412 L416 T426 L432 T433 V434 I484 Y485 A488L412-V430 HydrophobicContact CD1-CG1 4.32Å; L412-V430 HydrophobicContact CD2-CG1 4.21Å; L412-V430 HydrophobicContact CG-CG1 4.44Å; L416-V430 HydrophobicContact CD1-CB 3.58Å; L416-V430 HydrophobicContact CD1-CG1 3.8Å; L416-V430 HydrophobicContact CD1-CG2 3.83Å; L416-V430 HydrophobicContact CD2-CG1 4.42Å; L416-V430 HydrophobicContact CD2-CG2 4.24Å; T426-V430 VanDerWaalsContact O-CB 3.29Å; T426-V430 WeakPolarHBondContact O-CB 3.29Å; T426-V430 VanDerWaalsContact O-CG2 3.28Å; T426-V430 WeakPolarHBondContact O-CG2 3.43Å; T426-V430 PolarHBondContact O-N 3.46Å; V430-L432 VanDerWaalsContact C-N 3.28Å; V430-L432 PolarHBondContact O-N 3.4Å; V430-T433 WeakPolarHBondContact O-CA 3.32Å; V430-T433 VanDerWaalsContact O-CB 3.27Å; V430-T433 WeakPolarHBondContact O-CB 3.29Å; V430-T433 PolarHBondContact O-N 2.9Å; V430-V434 PolarHBondContact O-N 2.98Å; V430-V434 VanDerWaalsContact O-N 3.1Å; V430-I484 HydrophobicContact CG1-CG2 4.37Å; V430-I484 HydrophobicContact CG2-CG2 4.04Å; V430-Y485 HydrophobicContact CG2-CD1 4.25Å; V430-Y485 HydrophobicContact CG2-CE1 3.85Å; V430-A488 HydrophobicContact CG1-CB 3.51Å
431P86.7Confident86.5Confident14 Ų1450.6 Ų50.69%0.09127%0.273CS..Hα-helixtrans-58.6-36.5170.4-28.338.6000113.7L412 T413 M427 T433 V434 Y435L412-P431 HydrophobicContact CD2-CG 4.44Å; T413-P431 HydrophobicContact CG2-CG 4.04Å; M427-P431 WeakPolarHBondContact O-CD 3.44Å; M427-P431 WeakPolarHBondContact O-CG 3.14Å; P431-T433 PolarHBondContact O-N 3.26Å; P431-V434 WeakPolarHBondContact O-CB 3.48Å; P431-V434 PolarHBondContact O-N 3.02Å; P431-V434 VanDerWaalsContact O-N 3.15Å; P431-Y435 HydrophobicContact CB-CE2 4.3Å; P431-Y435 WeakPolarHBondContact O-CD2 3.33Å; P431-Y435 PolarHBondContact O-N 2.92Å
432L86.8Confident87Confident66 Ų6643 Ų4335%0.34624%0.244SC..Hα-helixtrans-56.2-41.1171.6175.464.2000111.4L236 A428 L429 V430 Y435 L436L236-L432 HydrophobicContact CD2-CD1 3.34Å; A428-L432 VanDerWaalsContact O-CB 3.29Å; A428-L432 WeakPolarHBondContact O-CB 3.44Å; A428-L432 PolarHBondContact O-N 3.33Å; A428-L432 VanDerWaalsContact O-N 3.11Å; L429-L432 HydrophobicContact CD2-CD2 4.39Å; L429-L432 WeakPolarHBondContact O-CB 3.28Å; L429-L432 PolarHBondContact O-N 3.17Å; V430-L432 VanDerWaalsContact C-N 3.28Å; V430-L432 PolarHBondContact O-N 3.4Å; L432-Y435 PolarHBondContact O-N 3.07Å; L432-L436 HydrophobicContact CD1-CD1 4.27Å; L432-L436 HydrophobicContact CD1-CG 4.17Å; L432-L436 HydrophobicContact CG-CD1 4.02Å; L432-L436 HydrophobicContact CG-CG 4.37Å; L432-L436 WeakPolarHBondContact O-CB 3.47Å; L432-L436 VanDerWaalsContact O-CG 3.28Å; L432-L436 WeakPolarHBondContact O-CG 3.27Å; L432-L436 PolarHBondContact O-N 2.77Å
433T92Very high87.5Confident31 Ų3146.9 Ų46.919%0.1926%0.264CS..Hα-helixtrans-65.1-41.1176.5-56.60000112.2L429 V430 P431 Y435 L436 T437 Y485 A488L429-T433 PolarHBondContact O-N 3Å; L429-T433 PolarHBondContact O-OG1 3.37Å; V430-T433 WeakPolarHBondContact O-CA 3.32Å; V430-T433 VanDerWaalsContact O-CB 3.27Å; V430-T433 WeakPolarHBondContact O-CB 3.29Å; V430-T433 PolarHBondContact O-N 2.9Å; P431-T433 PolarHBondContact O-N 3.26Å; T433-Y435 VanDerWaalsContact C-N 3.33Å; T433-Y435 PolarHBondContact O-N 2.94Å; T433-L436 PolarHBondContact O-N 3.29Å; T433-T437 PolarHBondContact O-N 3.43Å; T433-T437 VanDerWaalsContact O-N 3.13Å; T433-T437 PolarHBondContact O-OG1 3.41Å; T433-Y485 HydrophobicContact CG2-CD1 4.2Å; T433-Y485 WeakPolarHBondContact OG1-CD1 3.25Å; T433-A488 HydrophobicContact CG2-CB 4.48Å
434V94Very high88.2Confident6 Ų647.1 Ų47.14%0.03626%0.259CS..Hα-helixtrans-56.6-49.1171.8-178.90000109.7L412 V430 P431 T437 S438 A488 L491L412-V434 HydrophobicContact CD2-CG2 3.89Å; V430-V434 PolarHBondContact O-N 2.98Å; V430-V434 VanDerWaalsContact O-N 3.1Å; P431-V434 WeakPolarHBondContact O-CB 3.48Å; P431-V434 PolarHBondContact O-N 3.02Å; P431-V434 VanDerWaalsContact O-N 3.15Å; V434-T437 PolarHBondContact O-N 3.49Å; V434-T437 PolarHBondContact O-OG1 2.92Å; V434-S438 PolarHBondContact O-N 3.03Å; V434-S438 PolarHBondContact O-OG 3.07Å; V434-S438 VanDerWaalsContact O-OG 3.06Å; V434-A488 HydrophobicContact CG2-CB 3.9Å; V434-A488 WeakPolarHBondContact CG2-O 3.4Å; V434-L491 HydrophobicContact CG2-CD2 4.44Å
435Y91.5Very high89.3Confident15 Ų1541.6 Ų41.66%0.05924%0.235CC..Hα-helixtrans-70.4-35.7-177.7-69.9-51.6000114V232 N235 L236 Y239 P431 L432 T433 S438 I439V232-Y435 HydrophobicContact CG1-CD1 3.84Å; V232-Y435 HydrophobicContact CG1-CG 4.12Å; V232-Y435 WeakPolarHBondContact CG1-O 3.42Å; V232-Y435 HydrophobicContact CG2-CD1 4.38Å; N235-Y435 HydrophobicContact CB-CE1 4.27Å; N235-Y435 HydrophobicContact CB-CE2 4.21Å; L236-Y435 HydrophobicContact CD2-CD2 4.47Å; Y239-Y435 HydrophobicContact CD2-CE2 4.47Å; Y239-Y435 AromaticContact CE2-CE2 3.84Å; Y239-Y435 HydrophobicContact CE2-CE2 3.84Å; P431-Y435 HydrophobicContact CB-CE2 4.3Å; P431-Y435 WeakPolarHBondContact O-CD2 3.33Å; P431-Y435 PolarHBondContact O-N 2.92Å; L432-Y435 PolarHBondContact O-N 3.07Å; T433-Y435 VanDerWaalsContact C-N 3.33Å; T433-Y435 PolarHBondContact O-N 2.94Å; Y435-S438 WeakPolarHBondContact O-CB 3.46Å; Y435-S438 PolarHBondContact O-N 3.37Å; Y435-I439 WeakPolarHBondContact O-CG1 3.37Å; Y435-I439 PolarHBondContact O-N 3.38Å
436L92.3Very high90.1Very high95 Ų9538.6 Ų38.650%0.49722%0.218SC..Hα-helixtrans-63.2-43.1175.1-74.4171.9000111.6L432 T433 I439 A440L432-L436 HydrophobicContact CD1-CD1 4.27Å; L432-L436 HydrophobicContact CD1-CG 4.17Å; L432-L436 HydrophobicContact CG-CD1 4.02Å; L432-L436 HydrophobicContact CG-CG 4.37Å; L432-L436 WeakPolarHBondContact O-CB 3.47Å; L432-L436 VanDerWaalsContact O-CG 3.28Å; L432-L436 WeakPolarHBondContact O-CG 3.27Å; L432-L436 PolarHBondContact O-N 2.77Å; T433-L436 PolarHBondContact O-N 3.29Å; L436-I439 PolarHBondContact O-N 2.95Å; L436-A440 PolarHBondContact O-N 2.8Å
437T97.3Very high90.9Very high34 Ų3441 Ų4121%0.20923%0.234CC..Hα-helixtrans-70.3-33175.253.90000112.4T433 V434 A440 T441 G489T433-T437 PolarHBondContact O-N 3.43Å; T433-T437 VanDerWaalsContact O-N 3.13Å; T433-T437 PolarHBondContact O-OG1 3.41Å; V434-T437 PolarHBondContact O-N 3.49Å; V434-T437 PolarHBondContact O-OG1 2.92Å; T437-A440 PolarHBondContact O-N 3.36Å; T437-T441 WeakPolarHBondContact O-CB 3.46Å; T437-T441 PolarHBondContact O-N 3.01Å; T437-T441 PolarHBondContact O-OG1 3.07Å; T437-G489 PolarHBondContact OG1-O 3.48Å
438S96.9Very high91.9Very high1 Ų141.3 Ų41.31%0.00724%0.236CC..Hα-helixtrans-59.9-43.7169.3-67.40000112.5V434 Y435 A440 T441 T442 G492 T496V434-S438 PolarHBondContact O-N 3.03Å; V434-S438 PolarHBondContact O-OG 3.07Å; V434-S438 VanDerWaalsContact O-OG 3.06Å; Y435-S438 WeakPolarHBondContact O-CB 3.46Å; Y435-S438 PolarHBondContact O-N 3.37Å; S438-A440 PolarHBondContact O-N 3.09Å; S438-T441 PolarHBondContact O-N 3.3Å; S438-T442 VanDerWaalsContact O-CG2 3.29Å; S438-T442 WeakPolarHBondContact O-CG2 3.37Å; S438-T442 PolarHBondContact O-N 3.48Å; S438-G492 PolarHBondContact OG-O 2.94Å; S438-T496 WeakPolarHBondContact CA-OG1 3.44Å; S438-T496 VanDerWaalsContact CB-OG1 3.26Å; S438-T496 WeakPolarHBondContact CB-OG1 3.46Å; S438-T496 PolarHBondContact OG-OG1 3.1Å
439I96.1Very high92.8Very high41 Ų4138.9 Ų38.921%0.2121%0.214CC..Hα-helixtrans-58.3-51.5175.7-69.6170.5000110.2L229 V232 L233 L236 Y435 L436 T441 T442 M443L229-I439 HydrophobicContact CD1-CB 4.49Å; L229-I439 HydrophobicContact CD1-CG1 4.2Å; L229-I439 HydrophobicContact CD1-CG2 4.03Å; V232-I439 HydrophobicContact CB-CG1 4.24Å; V232-I439 HydrophobicContact CG1-CD1 4.01Å; V232-I439 HydrophobicContact CG1-CG1 3.59Å; L233-I439 HydrophobicContact CD2-CD1 4.1Å; L236-I439 HydrophobicContact CD1-CD1 3.62Å; Y435-I439 WeakPolarHBondContact O-CG1 3.37Å; Y435-I439 PolarHBondContact O-N 3.38Å; L436-I439 PolarHBondContact O-N 2.95Å; I439-T441 VanDerWaalsContact C-N 3.26Å; I439-T441 PolarHBondContact O-N 3.29Å; I439-T442 PolarHBondContact O-N 3.13Å; I439-T442 PolarHBondContact O-OG1 3.26Å; I439-M443 PolarHBondContact O-N 3.2Å
440A96Very high93.3Very high58 Ų5839.2 Ų39.248%0.47922%0.216SC..Hα-helixtrans-57.3-42.4178.300000111.8L436 T437 S438 M443L436-A440 PolarHBondContact O-N 2.8Å; T437-A440 PolarHBondContact O-N 3.36Å; S438-A440 PolarHBondContact O-N 3.09Å; A440-M443 PolarHBondContact O-N 3.18Å
441T97.5Very high93.5Very high5 Ų549.8 Ų49.83%0.03126%0.256CS..Hα-helixtrans-65.7-40179-53.70000112.2T437 S438 I439 M443 I444 Q445 I493 T496 I497T437-T441 WeakPolarHBondContact O-CB 3.46Å; T437-T441 PolarHBondContact O-N 3.01Å; T437-T441 PolarHBondContact O-OG1 3.07Å; S438-T441 PolarHBondContact O-N 3.3Å; I439-T441 VanDerWaalsContact C-N 3.26Å; I439-T441 PolarHBondContact O-N 3.29Å; T441-M443 VanDerWaalsContact C-N 3.26Å; T441-M443 PolarHBondContact O-N 3.34Å; T441-I444 WeakPolarHBondContact O-CG1 3.35Å; T441-I444 PolarHBondContact O-N 3.31Å; T441-Q445 WeakPolarHBondContact O-CB 3.33Å; T441-Q445 PolarHBondContact O-N 2.75Å; T441-I493 HydrophobicContact CG2-CG2 4.41Å; T441-T496 HydrophobicContact CG2-CG2 3.72Å; T441-I497 HydrophobicContact CG2-CD1 4.39Å; T441-I497 HydrophobicContact CG2-CG1 3.76Å
442T95.5Very high93.9Very high3 Ų351.7 Ų51.72%0.01827%0.265CS..Hα-helixtrans-60.6-34.5177.459.40000113Y228 L229 S438 I439 T496 I500Y228-T442 HydrophobicContact CD1-CG2 3.64Å; Y228-T442 HydrophobicContact CE1-CG2 4.39Å; L229-T442 HydrophobicContact CB-CG2 4.49Å; S438-T442 VanDerWaalsContact O-CG2 3.29Å; S438-T442 WeakPolarHBondContact O-CG2 3.37Å; S438-T442 PolarHBondContact O-N 3.48Å; I439-T442 PolarHBondContact O-N 3.13Å; I439-T442 PolarHBondContact O-OG1 3.26Å; T442-T496 HydrophobicContact CG2-CG2 3.9Å; T442-I500 HydrophobicContact CG2-CD1 4.03Å
443M92.3Very high94.3Very high104 Ų10451 Ų5151%0.51227%0.266SS..Hα-helixtrans-69.8-32.5-178.7-65.8-61.6103.500112.6L229 I439 A440 T441L229-M443 HydrophobicContact CB-CE 4.41Å; L229-M443 HydrophobicContact CD1-CE 3.79Å; L229-M443 HydrophobicContact CD2-CE 3.43Å; L229-M443 VanDerWaalsContact CD2-CE 3.43Å; L229-M443 HydrophobicContact CG-CE 4.04Å; I439-M443 PolarHBondContact O-N 3.2Å; A440-M443 PolarHBondContact O-N 3.18Å; T441-M443 VanDerWaalsContact C-N 3.26Å; T441-M443 PolarHBondContact O-N 3.34Å
444I94.5Very high94.4Very high87 Ų8750.5 Ų50.545%0.44626%0.26SS..Hα-helixtrans-93.7-11.3-179.362.3175000113.2T441 K446 P447 I448T441-I444 WeakPolarHBondContact O-CG1 3.35Å; T441-I444 PolarHBondContact O-N 3.31Å; I444-K446 PolarHBondContact O-N 2.71Å; I444-P447 WeakPolarHBondContact O-CD 3.29Å; I444-P447 VanDerWaalsContact O-CG 3.25Å; I444-P447 WeakPolarHBondContact O-CG 3.35Å; I444-I448 HydrophobicContact CB-CD1 4Å; I444-I448 HydrophobicContact CD1-CD1 3.87Å; I444-I448 HydrophobicContact CG1-CD1 3.91Å; I444-I448 WeakPolarHBondContact O-CB 3.3Å; I444-I448 WeakPolarHBondContact O-CD1 3.14Å; I444-I448 VanDerWaalsContact O-CG1 3.27Å; I444-I448 WeakPolarHBondContact O-CG1 2.94Å; I444-I448 PolarHBondContact O-N 3.48Å
445Q94.1Very high94.4Very high1 Ų151 Ų511%0.00526%0.262CS..Hα-helixtrans-61.8-46.3-171.3-172.267.58.700113T441 I448 Q449 N457 I500 T501T441-Q445 WeakPolarHBondContact O-CB 3.33Å; T441-Q445 PolarHBondContact O-N 2.75Å; Q445-I448 PolarHBondContact O-N 2.98Å; Q445-Q449 VanDerWaalsContact O-CB 3.26Å; Q445-Q449 WeakPolarHBondContact O-CB 3.24Å; Q445-Q449 PolarHBondContact O-N 3.47Å; Q445-N457 PolarHBondContact NE2-ND2 2.86Å; Q445-I500 HydrophobicContact CB-CD1 4.22Å; Q445-I500 HydrophobicContact CG-CB 4.1Å; Q445-I500 HydrophobicContact CG-CD1 3.86Å; Q445-I500 HydrophobicContact CG-CG2 3.71Å; Q445-T501 PolarHBondContact NE2-OG1 3.38Å
446K92Very high94.6Very high52 Ų5253.4 Ų53.423%0.22628%0.279CS..Hα-helixtrans-58.7-58.9179-176.2-158.6-174.4-68.60112.2L222 I444 I448 Q449 D450L222-K446 HydrophobicContact CB-CD 3.82Å; L222-K446 HydrophobicContact CB-CG 4.14Å; L222-K446 HydrophobicContact CD1-CB 4.39Å; L222-K446 HydrophobicContact CD1-CD 3.74Å; L222-K446 HydrophobicContact CD1-CG 4.45Å; L222-K446 HydrophobicContact CD2-CD 4.02Å; L222-K446 HydrophobicContact CG-CD 4.05Å; I444-K446 PolarHBondContact O-N 2.71Å; K446-I448 PolarHBondContact O-N 3.24Å; K446-Q449 PolarHBondContact O-N 2.76Å; K446-Q449 VanDerWaalsContact O-N 3.17Å; K446-D450 IonicContact NZ-OD2 3.26Å; K446-D450 PolarHBondContact NZ-OD2 3.15Å; K446-D450 VanDerWaalsContact O-CG 3.29Å; K446-D450 PolarHBondContact O-N 2.96Å
447P93.9Very high94.9Very high63 Ų6349 Ų4941%0.40926%0.255SS..Hα-helixtrans-62.3-28.8-176.823.4-34000113.4I444 R451I444-P447 WeakPolarHBondContact O-CD 3.29Å; I444-P447 VanDerWaalsContact O-CG 3.25Å; I444-P447 WeakPolarHBondContact O-CG 3.35Å; P447-R451 WeakPolarHBondContact O-CG 3.23Å
448I94.6Very high94.9Very high61 Ų6147.3 Ų47.331%0.31325%0.245SC..Hα-helixtrans-68.6-53.4173.3-69.2171000110I444 Q445 K446 D450 R451 I452I444-I448 HydrophobicContact CB-CD1 4Å; I444-I448 HydrophobicContact CD1-CD1 3.87Å; I444-I448 HydrophobicContact CG1-CD1 3.91Å; I444-I448 WeakPolarHBondContact O-CB 3.3Å; I444-I448 WeakPolarHBondContact O-CD1 3.14Å; I444-I448 VanDerWaalsContact O-CG1 3.27Å; I444-I448 WeakPolarHBondContact O-CG1 2.94Å; I444-I448 PolarHBondContact O-N 3.48Å; Q445-I448 PolarHBondContact O-N 2.98Å; K446-I448 PolarHBondContact O-N 3.24Å; I448-D450 PolarHBondContact O-N 3.35Å; I448-R451 PolarHBondContact O-N 3.17Å; I448-I452 HydrophobicContact CG2-CD1 3.64Å; I448-I452 HydrophobicContact CG2-CG1 4.02Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 2.82Å
449Q93.9Very high95Very high11 Ų1148 Ų485%0.05125%0.253CS..Hα-helixtrans-70.3-16.7-174.6-168.4166.5-11.300113.8T221 Q445 K446 R451 I452 R454T221-Q449 HydrophobicContact CG2-CB 4.03Å; T221-Q449 VanDerWaalsContact CG2-CD 3.42Å; T221-Q449 HydrophobicContact CG2-CG 4.03Å; Q445-Q449 VanDerWaalsContact O-CB 3.26Å; Q445-Q449 WeakPolarHBondContact O-CB 3.24Å; Q445-Q449 PolarHBondContact O-N 3.47Å; K446-Q449 PolarHBondContact O-N 2.76Å; K446-Q449 VanDerWaalsContact O-N 3.17Å; Q449-R451 VanDerWaalsContact C-N 3.35Å; Q449-I452 VanDerWaalsContact O-O 3.05Å; Q449-R454 HydrophobicContact CG-CG 4.23Å
450D92.4Very high95.1Very high74 Ų7449 Ų4940%0.39626%0.258SS..THydrogen-bonded Turntrans-76-22.5168.6-69.8-19.3000112.5S218 K446 I448S218-D450 WeakPolarHBondContact CB-OD1 2.95Å; K446-D450 IonicContact NZ-OD2 3.26Å; K446-D450 PolarHBondContact NZ-OD2 3.15Å; K446-D450 VanDerWaalsContact O-CG 3.29Å; K446-D450 PolarHBondContact O-N 2.96Å; I448-D450 PolarHBondContact O-N 3.35Å
451R93.8Very high95.2Very high223 Ų22346.3 Ų46.384%0.84224%0.235SC*.THydrogen-bonded Turntrans-98.4-30.2-178.3-68.8178.7-178.4-176.31.1113.7P447 I448 Q449P447-R451 WeakPolarHBondContact O-CG 3.23Å; I448-R451 PolarHBondContact O-N 3.17Å; Q449-R451 VanDerWaalsContact C-N 3.35Å
452I94.8Very high95.2Very high54 Ų5446.3 Ų46.328%0.27724%0.235SC..SBendtrans-117154.4-177.970.8175.2000110.9I448 Q449 N457 I460I448-I452 HydrophobicContact CG2-CD1 3.64Å; I448-I452 HydrophobicContact CG2-CG1 4.02Å; I448-I452 WeakPolarHBondContact O-CG1 3.38Å; I448-I452 PolarHBondContact O-N 2.82Å; Q449-I452 VanDerWaalsContact O-O 3.05Å; I452-N457 HydrophobicContact CD1-CB 3.69Å; I452-N457 HydrophobicContact CG1-CB 4.02Å; I452-I460 HydrophobicContact CD1-CD1 3.62Å
453S94.1Very high95.4Very high53 Ų5351.1 Ų51.137%0.37126%0.26SS..  trans-65.5149.9175.673.30000111.5E455 T456 N457S453-E455 WeakPolarHBondContact CB-OE2 3.48Å; S453-E455 PolarHBondContact O-N 2.87Å; S453-E455 PolarHBondContact OG-OE2 2.77Å; S453-T456 PolarHBondContact O-N 3.23Å; S453-T456 VanDerWaalsContact O-N 3.12Å; S453-T456 WeakPolarHBondContact OG-CB 3.33Å; S453-T456 PolarHBondContact OG-N 2.85Å; S453-T456 PolarHBondContact OG-OG1 2.89Å; S453-N457 PolarHBondContact O-N 3.15Å
454R94.6Very high95.7Very high19 Ų1949.2 Ų49.27%0.07225%0.249CC..Hα-helixtrans-61-36.4-179.1-60.2-168171.4-160.6-2.1111.8S217 T221 Q449 T456 N457 S458 T501 A504 M505 D508S217-R454 PolarHBondContact O-NH2 3.44Å; T221-R454 PolarHBondContact OG1-NH2 2.66Å; Q449-R454 HydrophobicContact CG-CG 4.23Å; R454-T456 VanDerWaalsContact C-N 3.34Å; R454-N457 PolarHBondContact O-N 3.23Å; R454-S458 PolarHBondContact O-N 3.33Å; R454-T501 HydrophobicContact CB-CG2 3.92Å; R454-T501 WeakPolarHBondContact O-CG2 3.46Å; R454-A504 PolarHBondContact NH1-O 3.45Å; R454-M505 HydrophobicContact CB-CG 3.97Å; R454-M505 HydrophobicContact CB-SD 4.31Å; R454-D508 WeakPolarHBondContact CD-OD2 3.42Å; R454-D508 IonicContact CZ-OD1 2.63Å; R454-D508 IonicContact CZ-OD2 2.65Å; R454-D508 IonicContact NE-OD2 2.92Å; R454-D508 PolarHBondContact NE-OD2 2.62Å; R454-D508 VanDerWaalsContact NE-OD2 3.16Å; R454-D508 IonicContact NH1-OD1 3.13Å; R454-D508 PolarHBondContact NH1-OD1 3.22Å; R454-D508 VanDerWaalsContact NH1-OD1 3.13Å; R454-D508 IonicContact NH1-OD2 3.16Å; R454-D508 PolarHBondContact NH1-OD2 3.1Å; R454-D508 IonicContact NH2-OD1 3.46Å; R454-D508 IonicContact NH2-OD2 3.55Å
455E94.9Very high95.9Very high16 Ų1645.1 Ų45.18%0.07523%0.227CC..Hα-helixtrans-65.3-42.7178.7-56.575.8-16700110.6S453 S458 G459 L571 Y574 K575 K578S453-E455 WeakPolarHBondContact CB-OE2 3.48Å; S453-E455 PolarHBondContact O-N 2.87Å; S453-E455 PolarHBondContact OG-OE2 2.77Å; E455-S458 PolarHBondContact O-N 2.99Å; E455-G459 PolarHBondContact O-N 3.37Å; E455-L571 HydrophobicContact CB-CD1 4.02Å; E455-L571 HydrophobicContact CG-CD1 4.37Å; E455-Y574 HydrophobicContact CG-CD1 4.16Å; E455-Y574 HydrophobicContact CG-CE1 4.28Å; E455-K575 HydrophobicContact CB-CD 4.39Å; E455-K575 HydrophobicContact CG-CB 4.23Å; E455-K575 HydrophobicContact CG-CG 4.35Å; E455-K578 WeakPolarHBondContact OE1-CD 3.36Å; E455-K578 IonicContact OE1-NZ 3.99Å; E455-K578 PolarHBondContact OE1-NZ 3.29Å
456T96.2Very high96.1Very high66 Ų6647.9 Ų47.941%0.40524%0.244SC..Hα-helixtrans-66.4-42.7176.2-52.80000111.1S453 R454 S458 G459 I460S453-T456 PolarHBondContact O-N 3.23Å; S453-T456 VanDerWaalsContact O-N 3.12Å; S453-T456 WeakPolarHBondContact OG-CB 3.33Å; S453-T456 PolarHBondContact OG-N 2.85Å; S453-T456 PolarHBondContact OG-OG1 2.89Å; R454-T456 VanDerWaalsContact C-N 3.34Å; T456-S458 VanDerWaalsContact C-N 3.34Å; T456-S458 PolarHBondContact O-N 2.74Å; T456-G459 WeakPolarHBondContact O-CA 3.42Å; T456-G459 PolarHBondContact O-N 3.18Å; T456-I460 WeakPolarHBondContact O-CG1 3.37Å; T456-I460 PolarHBondContact O-N 2.88Å
457N97.2Very high96.4Very high2 Ų248.7 Ų48.71%0.01125%0.25CS..Hα-helixtrans-60.2-43.6176.7-162.540.7000111.8Q445 I452 S453 R454 G459 I460 G461 I497 T501Q445-N457 PolarHBondContact NE2-ND2 2.86Å; I452-N457 HydrophobicContact CD1-CB 3.69Å; I452-N457 HydrophobicContact CG1-CB 4.02Å; S453-N457 PolarHBondContact O-N 3.15Å; R454-N457 PolarHBondContact O-N 3.23Å; N457-G459 VanDerWaalsContact C-N 3.29Å; N457-G459 PolarHBondContact O-N 3.43Å; N457-I460 WeakPolarHBondContact O-CB 3.34Å; N457-I460 PolarHBondContact O-N 3.29Å; N457-G461 PolarHBondContact O-N 2.91Å; N457-I497 WeakPolarHBondContact O-CG2 3.34Å; N457-T501 HydrophobicContact CB-CG2 4.38Å; N457-T501 PolarHBondContact ND2-OG1 2.98Å
458S97.8Very high96.6Very high0 Ų045.8 Ų45.80%023%0.231CC..Hα-helixtrans-61.7-38.5173.5-172.20000111.9F397 R454 E455 T456 G461 L462 Q567F397-S458 WeakPolarHBondContact CZ-OG 3.27Å; R454-S458 PolarHBondContact O-N 3.33Å; E455-S458 PolarHBondContact O-N 2.99Å; T456-S458 VanDerWaalsContact C-N 3.34Å; T456-S458 PolarHBondContact O-N 2.74Å; S458-G461 PolarHBondContact O-N 3.36Å; S458-L462 WeakPolarHBondContact O-CG 3.3Å; S458-L462 PolarHBondContact O-N 3.23Å; S458-Q567 PolarHBondContact OG-NE2 3.42Å
459G98.1Very high96.8Very high15 Ų1543.2 Ų43.216%0.15522%0.219CC..Hα-helixtrans-60.9-42174.300000112.8E455 T456 N457 G461 L462 I463E455-G459 PolarHBondContact O-N 3.37Å; T456-G459 WeakPolarHBondContact O-CA 3.42Å; T456-G459 PolarHBondContact O-N 3.18Å; N457-G459 VanDerWaalsContact C-N 3.29Å; N457-G459 PolarHBondContact O-N 3.43Å; G459-G461 VanDerWaalsContact C-N 3.34Å; G459-G461 PolarHBondContact O-N 2.89Å; G459-L462 WeakPolarHBondContact O-CB 3.36Å; G459-L462 PolarHBondContact O-N 3.43Å; G459-I463 WeakPolarHBondContact O-CG1 3.41Å; G459-I463 PolarHBondContact O-N 3.41Å
460I98Very high97Very high63 Ų6347.1 Ų47.132%0.32324%0.239SC..Hα-helixtrans-59.7-46.2173.9-65.8168.3000110.6I452 T456 N457 L462 I463 F464 I497I452-I460 HydrophobicContact CD1-CD1 3.62Å; T456-I460 WeakPolarHBondContact O-CG1 3.37Å; T456-I460 PolarHBondContact O-N 2.88Å; N457-I460 WeakPolarHBondContact O-CB 3.34Å; N457-I460 PolarHBondContact O-N 3.29Å; I460-L462 VanDerWaalsContact C-N 3.3Å; I460-L462 PolarHBondContact O-N 3.14Å; I460-I463 WeakPolarHBondContact O-CB 3.46Å; I460-I463 PolarHBondContact O-N 3.39Å; I460-I463 VanDerWaalsContact O-N 3.14Å; I460-F464 HydrophobicContact CG2-CD2 4.04Å; I460-F464 HydrophobicContact CG2-CE2 3.77Å; I460-F464 WeakPolarHBondContact O-CD2 3.36Å; I460-F464 PolarHBondContact O-N 3.45Å; I460-I497 HydrophobicContact CG2-CD1 4.34Å
461G98.5Very high97.2Very high0 Ų046.6 Ų46.60%024%0.236CC..Hα-helixtrans-56.7-43.6175.500000112.5N457 S458 G459 I463 F464 I465N457-G461 PolarHBondContact O-N 2.91Å; S458-G461 PolarHBondContact O-N 3.36Å; G459-G461 VanDerWaalsContact C-N 3.34Å; G459-G461 PolarHBondContact O-N 2.89Å; G461-I463 VanDerWaalsContact C-N 3.34Å; G461-I463 PolarHBondContact O-N 3.22Å; G461-F464 PolarHBondContact O-N 2.96Å; G461-I465 WeakPolarHBondContact O-CG1 3.34Å; G461-I465 PolarHBondContact O-N 3.28Å; G461-I465 VanDerWaalsContact O-N 3.15Å
462L98.6Very high97.3Very high5 Ų536 Ų363%0.02620%0.196CC..Hα-helixtrans-64.4-34.1176.6-72.1179000113.5I404 S458 G459 I460 I465 T466 I498 V564 Q567 F568 L571I404-L462 HydrophobicContact CD1-CD2 4.36Å; S458-L462 WeakPolarHBondContact O-CG 3.3Å; S458-L462 PolarHBondContact O-N 3.23Å; G459-L462 WeakPolarHBondContact O-CB 3.36Å; G459-L462 PolarHBondContact O-N 3.43Å; I460-L462 VanDerWaalsContact C-N 3.3Å; I460-L462 PolarHBondContact O-N 3.14Å; L462-I465 PolarHBondContact O-N 3.12Å; L462-T466 WeakPolarHBondContact O-CB 3.03Å; L462-T466 PolarHBondContact O-N 2.99Å; L462-T466 PolarHBondContact O-OG1 2.64Å; L462-I498 HydrophobicContact CD2-CG2 4.34Å; L462-I498 HydrophobicContact CG-CG2 4.36Å; L462-V564 HydrophobicContact CB-CG1 4.43Å; L462-V564 HydrophobicContact CD2-CB 4.37Å; L462-V564 HydrophobicContact CD2-CG1 3.99Å; L462-V564 HydrophobicContact CD2-CG2 4.23Å; L462-Q567 HydrophobicContact CD1-CB 4.41Å; L462-Q567 HydrophobicContact CD1-CG 4.28Å; L462-Q567 HydrophobicContact CD2-CB 4.23Å; L462-Q567 VanDerWaalsContact CD2-CD 3.45Å; L462-Q567 HydrophobicContact CD2-CG 4.25Å; L462-F568 HydrophobicContact CD1-CB 3.96Å; L462-F568 HydrophobicContact CD1-CD2 4.17Å; L462-L571 HydrophobicContact CD1-CD2 4.28Å
463I98.6Very high97.3Very high105 Ų10535.4 Ų35.454%0.53819%0.194SC..Hα-helixtrans-62.5-47.2174.6-68.3165.5000110.3G459 I460 G461 I465 T466 I467G459-I463 WeakPolarHBondContact O-CG1 3.41Å; G459-I463 PolarHBondContact O-N 3.41Å; I460-I463 WeakPolarHBondContact O-CB 3.46Å; I460-I463 PolarHBondContact O-N 3.39Å; I460-I463 VanDerWaalsContact O-N 3.14Å; G461-I463 VanDerWaalsContact C-N 3.34Å; G461-I463 PolarHBondContact O-N 3.22Å; I463-I465 VanDerWaalsContact C-N 3.33Å; I463-I465 PolarHBondContact O-N 3.47Å; I463-T466 WeakPolarHBondContact O-CB 3.47Å; I463-T466 PolarHBondContact O-N 3.03Å; I463-I467 HydrophobicContact CG2-CD1 4Å; I463-I467 VanDerWaalsContact O-CG1 3.32Å; I463-I467 WeakPolarHBondContact O-CG1 3.49Å; I463-I467 PolarHBondContact O-N 3.46Å
464F98.6Very high97.3Very high64 Ų6440.4 Ų40.428%0.28121%0.206SC..Hα-helixtrans-58.6-44.1176-79.6-77.1000111.8I460 G461 T466 I467 F468 I490 I493 I497I460-F464 HydrophobicContact CG2-CD2 4.04Å; I460-F464 HydrophobicContact CG2-CE2 3.77Å; I460-F464 WeakPolarHBondContact O-CD2 3.36Å; I460-F464 PolarHBondContact O-N 3.45Å; G461-F464 PolarHBondContact O-N 2.96Å; F464-T466 VanDerWaalsContact C-N 3.33Å; F464-T466 PolarHBondContact O-N 3.49Å; F464-I467 WeakPolarHBondContact O-CB 3.28Å; F464-I467 PolarHBondContact O-N 3.23Å; F464-F468 PolarHBondContact O-N 3Å; F464-I490 HydrophobicContact CB-CG2 4.22Å; F464-I490 HydrophobicContact CD1-CG2 4.13Å; F464-I490 WeakPolarHBondContact O-CG2 3.41Å; F464-I493 HydrophobicContact CD1-CB 4.45Å; F464-I493 HydrophobicContact CD1-CG2 4.15Å; F464-I493 HydrophobicContact CD2-CG2 3.91Å; F464-I493 HydrophobicContact CE1-CD1 4.37Å; F464-I493 HydrophobicContact CE1-CG2 4.16Å; F464-I493 HydrophobicContact CE2-CG2 3.92Å; F464-I493 HydrophobicContact CG-CG2 4.03Å; F464-I493 HydrophobicContact CZ-CG2 4.05Å; F464-I497 HydrophobicContact CD2-CD1 4.28Å; F464-I497 HydrophobicContact CE2-CD1 4.42Å
465I98.6Very high97.1Very high0 Ų040.3 Ų40.30%021%0.207CC..Hα-helixtrans-68.1-35.8179.6-57.5172.1000111.1I404 G461 L462 I463 I467 F468 C469 I498 I560 V564I404-I465 HydrophobicContact CG2-CD1 3.69Å; I404-I465 HydrophobicContact CG2-CG2 3.94Å; G461-I465 WeakPolarHBondContact O-CG1 3.34Å; G461-I465 PolarHBondContact O-N 3.28Å; G461-I465 VanDerWaalsContact O-N 3.15Å; L462-I465 PolarHBondContact O-N 3.12Å; I463-I465 VanDerWaalsContact C-N 3.33Å; I463-I465 PolarHBondContact O-N 3.47Å; I465-I467 VanDerWaalsContact C-N 3.34Å; I465-I467 PolarHBondContact O-N 3.11Å; I465-F468 WeakPolarHBondContact O-CB 3.38Å; I465-F468 PolarHBondContact O-N 3.26Å; I465-C469 PolarHBondContact O-N 3.38Å; I465-C469 PolarHBondContact O-SG 2.92Å; I465-I498 HydrophobicContact CD1-CD1 3.39Å; I465-I498 HydrophobicContact CD1-CG1 4.03Å; I465-I498 HydrophobicContact CD1-CG2 4.33Å; I465-I560 HydrophobicContact CG2-CG2 3.84Å; I465-V564 HydrophobicContact CB-CG2 4.12Å; I465-V564 HydrophobicContact CG2-CG2 3.54Å
466T98.6Very high96.8Very high59 Ų5940.5 Ų40.536%0.36221%0.213SC..Hα-helixtrans-61.9-43.4173.3-550000111L462 I463 F464 F468 C469 I470 V564L462-T466 WeakPolarHBondContact O-CB 3.03Å; L462-T466 PolarHBondContact O-N 2.99Å; L462-T466 PolarHBondContact O-OG1 2.64Å; I463-T466 WeakPolarHBondContact O-CB 3.47Å; I463-T466 PolarHBondContact O-N 3.03Å; F464-T466 VanDerWaalsContact C-N 3.33Å; F464-T466 PolarHBondContact O-N 3.49Å; T466-F468 VanDerWaalsContact C-N 3.31Å; T466-F468 PolarHBondContact O-N 2.8Å; T466-C469 PolarHBondContact O-N 3.29Å; T466-I470 HydrophobicContact CG2-CD1 4.23Å; T466-I470 WeakPolarHBondContact O-CG1 3.44Å; T466-I470 PolarHBondContact O-N 3.32Å; T466-V564 WeakPolarHBondContact OG1-CG1 3.29Å
467I98.5Very high96.2Very high69 Ų6942.4 Ų42.435%0.35422%0.221SC..Hα-helixtrans-60.4-43.9174.8-66.1164.5000110.1I463 F464 I465 I470 L471 I490I463-I467 HydrophobicContact CG2-CD1 4Å; I463-I467 VanDerWaalsContact O-CG1 3.32Å; I463-I467 WeakPolarHBondContact O-CG1 3.49Å; I463-I467 PolarHBondContact O-N 3.46Å; F464-I467 WeakPolarHBondContact O-CB 3.28Å; F464-I467 PolarHBondContact O-N 3.23Å; I465-I467 VanDerWaalsContact C-N 3.34Å; I465-I467 PolarHBondContact O-N 3.11Å; I467-I470 PolarHBondContact O-N 2.92Å; I467-L471 HydrophobicContact CG2-CD1 3.86Å; I467-L471 HydrophobicContact CG2-CG 4.18Å; I467-L471 VanDerWaalsContact O-CG 3.3Å; I467-L471 WeakPolarHBondContact O-CG 3.36Å; I467-L471 PolarHBondContact O-N 2.61Å; I467-I490 HydrophobicContact CB-CG2 4.26Å; I467-I490 HydrophobicContact CG2-CD1 3.95Å; I467-I490 HydrophobicContact CG2-CG2 4.24Å
468F98.5Very high95.7Very high2 Ų246.8 Ų46.81%0.00925%0.25CC..Hα-helixtrans-56.2-51.7173.4164.8-99.2000112F464 I465 T466 I470 L471 V472 A487 I490 L491 E556 I560F464-F468 PolarHBondContact O-N 3Å; I465-F468 WeakPolarHBondContact O-CB 3.38Å; I465-F468 PolarHBondContact O-N 3.26Å; T466-F468 VanDerWaalsContact C-N 3.31Å; T466-F468 PolarHBondContact O-N 2.8Å; F468-I470 PolarHBondContact O-N 3.41Å; F468-I470 VanDerWaalsContact O-N 3.16Å; F468-L471 PolarHBondContact O-N 3.49Å; F468-V472 HydrophobicContact CD1-CG2 4.4Å; F468-V472 HydrophobicContact CD2-CG2 3.99Å; F468-V472 HydrophobicContact CE1-CG2 3.94Å; F468-V472 HydrophobicContact CE2-CG2 3.51Å; F468-V472 HydrophobicContact CG-CG2 4.43Å; F468-V472 HydrophobicContact CZ-CG2 3.48Å; F468-V472 VanDerWaalsContact CZ-CG2 3.48Å; F468-V472 WeakPolarHBondContact O-CG2 3.44Å; F468-V472 PolarHBondContact O-N 3.44Å; F468-A487 HydrophobicContact CD2-CB 4.07Å; F468-A487 WeakPolarHBondContact CD2-O 3.42Å; F468-A487 HydrophobicContact CE2-CB 4.43Å; F468-I490 HydrophobicContact CB-CG2 4.08Å; F468-L491 HydrophobicContact CB-CB 4.42Å; F468-L491 HydrophobicContact CD1-CD1 3.75Å; F468-L491 HydrophobicContact CD2-CB 3.72Å; F468-L491 HydrophobicContact CD2-CD1 4.43Å; F468-L491 HydrophobicContact CD2-CD2 4.43Å; F468-L491 HydrophobicContact CD2-CG 4.41Å; F468-L491 HydrophobicContact CE1-CD1 3.89Å; F468-L491 HydrophobicContact CE1-CD2 4.27Å; F468-L491 HydrophobicContact CE2-CB 4.05Å; F468-L491 HydrophobicContact CE2-CD2 3.93Å; F468-L491 HydrophobicContact CE2-CG 4.39Å; F468-L491 HydrophobicContact CG-CB 3.96Å; F468-L491 HydrophobicContact CG-CD1 4.02Å; F468-L491 HydrophobicContact CG-CG 4.46Å; F468-L491 HydrophobicContact CZ-CD1 4.28Å; F468-L491 HydrophobicContact CZ-CD2 3.84Å; F468-L491 HydrophobicContact CZ-CG 4.45Å; F468-E556 WeakPolarHBondContact CE1-OE2 3.38Å; F468-E556 VanDerWaalsContact CZ-OE2 3.23Å; F468-E556 WeakPolarHBondContact CZ-OE2 3.46Å; F468-I560 HydrophobicContact CE1-CD1 4.01Å
469C98.3Very high95.2Very high8 Ų847.9 Ų47.95%0.05426%0.257CS..Hα-helixtrans-57.3-31.5179.1-70.20000113.1I465 T466 N473 S557 I560I465-C469 PolarHBondContact O-N 3.38Å; I465-C469 PolarHBondContact O-SG 2.92Å; T466-C469 PolarHBondContact O-N 3.29Å; C469-N473 PolarHBondContact O-ND2 3.28Å; C469-N473 VanDerWaalsContact O-ND2 3.16Å; C469-S557 WeakPolarHBondContact O-CB 3.36Å; C469-S557 PolarHBondContact O-OG 2.91Å; C469-S557 PolarHBondContact SG-O 3Å; C469-I560 VanDerWaalsContact SG-CG2 3.6Å
470I97.8Very high94.8Very high92 Ų9249.7 Ų49.747%0.47226%0.262SS..Hα-helixtrans-74.1-49.4173.7-65.5165.4000110.6T466 I467 F468 V472 N473 Y474T466-I470 HydrophobicContact CG2-CD1 4.23Å; T466-I470 WeakPolarHBondContact O-CG1 3.44Å; T466-I470 PolarHBondContact O-N 3.32Å; I467-I470 PolarHBondContact O-N 2.92Å; F468-I470 PolarHBondContact O-N 3.41Å; F468-I470 VanDerWaalsContact O-N 3.16Å; I470-V472 VanDerWaalsContact C-N 3.25Å; I470-V472 PolarHBondContact O-N 3.44Å; I470-N473 WeakPolarHBondContact O-CB 3.46Å; I470-N473 PolarHBondContact O-N 3.36Å; I470-Y474 HydrophobicContact CG2-CE2 4.27Å; I470-Y474 WeakPolarHBondContact O-CD2 3.48Å
471L97.4Very high94.5Very high63 Ų6351.3 Ų51.333%0.3327%0.271SS..Hα-helixtrans-61.3-32.6-177.7-70.8175.6000112.9I467 F468 N473 Y474 I486 A487 I490I467-L471 HydrophobicContact CG2-CD1 3.86Å; I467-L471 HydrophobicContact CG2-CG 4.18Å; I467-L471 VanDerWaalsContact O-CG 3.3Å; I467-L471 WeakPolarHBondContact O-CG 3.36Å; I467-L471 PolarHBondContact O-N 2.61Å; F468-L471 PolarHBondContact O-N 3.49Å; L471-N473 PolarHBondContact O-N 3.27Å; L471-Y474 PolarHBondContact O-N 3.37Å; L471-I486 HydrophobicContact CD1-CG2 4.48Å; L471-A487 HydrophobicContact CB-CB 4.01Å; L471-A487 HydrophobicContact CD1-CB 4.2Å; L471-I490 HydrophobicContact CD1-CD1 3.61Å
472V96.1Very high94.2Very high2 Ų257.8 Ų57.81%0.01230%0.296CS..THydrogen-bonded Turntrans-57.9-27.8174.9167.70000112.3Y415 F468 I470 Y474 Q553 E556Y415-V472 HydrophobicContact CE1-CG1 4.46Å; Y415-V472 HydrophobicContact CE2-CG1 4.13Å; Y415-V472 PolarHBondContact OH-O 3.17Å; F468-V472 HydrophobicContact CD1-CG2 4.4Å; F468-V472 HydrophobicContact CD2-CG2 3.99Å; F468-V472 HydrophobicContact CE1-CG2 3.94Å; F468-V472 HydrophobicContact CE2-CG2 3.51Å; F468-V472 HydrophobicContact CG-CG2 4.43Å; F468-V472 HydrophobicContact CZ-CG2 3.48Å; F468-V472 VanDerWaalsContact CZ-CG2 3.48Å; F468-V472 WeakPolarHBondContact O-CG2 3.44Å; F468-V472 PolarHBondContact O-N 3.44Å; I470-V472 VanDerWaalsContact C-N 3.25Å; I470-V472 PolarHBondContact O-N 3.44Å; V472-Y474 VanDerWaalsContact C-N 3.29Å; V472-Y474 PolarHBondContact O-N 2.98Å; V472-Q553 HydrophobicContact CG1-CG 3.77Å; V472-Q553 WeakPolarHBondContact CG1-O 3.35Å; V472-Q553 PolarHBondContact O-NE2 3.43Å; V472-E556 HydrophobicContact CG1-CB 3.9Å; V472-E556 HydrophobicContact CG2-CB 4.39Å
473N95Very high94.1Very high41 Ų4162.4 Ų62.422%0.21931%0.313CS..THydrogen-bonded Turntrans-75.6-14.9175.9-70.5-65.4000114C469 I470 L471 P475 S557C469-N473 PolarHBondContact O-ND2 3.28Å; C469-N473 VanDerWaalsContact O-ND2 3.16Å; I470-N473 WeakPolarHBondContact O-CB 3.46Å; I470-N473 PolarHBondContact O-N 3.36Å; L471-N473 PolarHBondContact O-N 3.27Å; N473-P475 WeakPolarHBondContact O-CD 3.44Å; N473-S557 PolarHBondContact ND2-OG 2.89Å
474Y94.3Very high93.9Very high158 Ų15858 Ų5862%0.6229%0.291SS*.  trans-12452.4-173.5-57-79.1000113.5I470 L471 V472 G476I470-Y474 HydrophobicContact CG2-CE2 4.27Å; I470-Y474 WeakPolarHBondContact O-CD2 3.48Å; L471-Y474 PolarHBondContact O-N 3.37Å; V472-Y474 VanDerWaalsContact C-N 3.29Å; V472-Y474 PolarHBondContact O-N 2.98Å; Y474-G476 PolarHBondContact O-N 2.99Å; Y474-G476 VanDerWaalsContact O-N 3.16Å
475P89.9Confident93.7Very high16 Ų1658 Ų5810%0.10429%0.289CS..  trans-64.2-21.9-179.729.1-35.7000112.7L420 N473 P479 I480L420-P475 HydrophobicContact CD1-CB 4.28Å; L420-P475 HydrophobicContact CD2-CB 3.61Å; L420-P475 HydrophobicContact CD2-CG 3.65Å; N473-P475 WeakPolarHBondContact O-CD 3.44Å; P475-P479 HydrophobicContact CB-CB 4.42Å; P475-I480 PolarHBondContact O-N 3.25Å
476G87.5Confident93.7Very high20 Ų2062.6 Ų62.621%0.20631%0.313CS..THydrogen-bonded Turntrans102.4158.5-171.500000111.8Y474 P478 P479Y474-G476 PolarHBondContact O-N 2.99Å; Y474-G476 VanDerWaalsContact O-N 3.16Å; G476-P478 CarbonylContact C-O 3.03Å; G476-P478 CarbonylContact O-C 3.56Å; G476-P479 WeakPolarHBondContact O-CA 3.43Å
477N84.9Confident93.6Very high107 Ų10760.1 Ų60.157%0.57230%0.298SS*.THydrogen-bonded Turntrans-13097.7173-169.12.8000109.1M293M293-N477 HydrophobicContact CE-CB 4.4Å; M293-N477 VanDerWaalsContact CE-OD1 3.24Å; M293-N477 WeakPolarHBondContact CE-OD1 3.27Å; M293-N477 PolarHBondContact SD-OD1 3.16Å
478P85.4Confident93.5Very high93 Ų9356.9 Ų56.960%0.60428%0.282SS*.THydrogen-bonded Turncis-70.4165.81.530.7-35.9000114.1M293 G476 I480M293-P478 VanDerWaalsContact SD-CA 3.56Å; M293-P478 HydrophobicContact SD-CB 3.86Å; G476-P478 CarbonylContact C-O 3.03Å; G476-P478 CarbonylContact O-C 3.56Å; P478-I480 PolarHBondContact O-N 3.01Å
479P87.3Confident93.5Very high24 Ų2457.2 Ų57.216%0.15629%0.286CS..THydrogen-bonded Turntrans-62.5125.9-176.1-20.135.3000110.6M293 L420 L422 P475 G476 I484M293-P479 HydrophobicContact CE-CG 3.82Å; L420-P479 HydrophobicContact CB-CG 4.38Å; L420-P479 HydrophobicContact CD2-CG 4.49Å; L422-P479 HydrophobicContact CD2-CB 4.33Å; P475-P479 HydrophobicContact CB-CB 4.42Å; G476-P479 WeakPolarHBondContact O-CA 3.43Å; P479-I484 HydrophobicContact CB-CD1 4.39Å
480I91.2Very high93.5Very high52 Ų5258.2 Ų58.227%0.26729%0.29SS..  trans-92.5112.1-175-61.8170000108.7P475 P478 Y482 R483P475-I480 PolarHBondContact O-N 3.25Å; P478-I480 PolarHBondContact O-N 3.01Å; I480-Y482 VanDerWaalsContact C-N 3.34Å; I480-Y482 HydrophobicContact CB-CE1 4.47Å; I480-Y482 HydrophobicContact CG2-CD1 3.3Å; I480-Y482 HydrophobicContact CG2-CE1 3.03Å; I480-Y482 HydrophobicContact CG2-CE2 4.28Å; I480-Y482 HydrophobicContact CG2-CG 4.04Å; I480-Y482 PolarHBondContact O-N 2.97Å; I480-R483 HydrophobicContact CB-CG 4.1Å; I480-R483 HydrophobicContact CG2-CG 4.06Å; I480-R483 WeakPolarHBondContact O-CB 3.47Å; I480-R483 PolarHBondContact O-N 2.97Å
481I91.1Very high93.5Very high97 Ų9753.9 Ų53.950%0.49727%0.268SS..Hα-helixtrans-53.6-43.8-170.7-64.8175.3000113.2R483 I484 Y485I481-R483 VanDerWaalsContact C-N 3.28Å; I481-R483 PolarHBondContact O-N 2.93Å; I481-I484 PolarHBondContact O-N 3.06Å; I481-Y485 HydrophobicContact CG2-CD2 3.65Å; I481-Y485 HydrophobicContact CG2-CE2 3.3Å; I481-Y485 VanDerWaalsContact O-CD2 3.27Å; I481-Y485 WeakPolarHBondContact O-CD2 3.34Å; I481-Y485 PolarHBondContact O-N 3.45Å
482Y93Very high93.6Very high137 Ų13750.9 Ų50.954%0.53725%0.252SS..Hα-helixtrans-64.1-31.3-178.172.5-104.1000112.9I480 I484 Y485 I486I480-Y482 VanDerWaalsContact C-N 3.34Å; I480-Y482 HydrophobicContact CB-CE1 4.47Å; I480-Y482 HydrophobicContact CG2-CD1 3.3Å; I480-Y482 HydrophobicContact CG2-CE1 3.03Å; I480-Y482 HydrophobicContact CG2-CE2 4.28Å; I480-Y482 HydrophobicContact CG2-CG 4.04Å; I480-Y482 PolarHBondContact O-N 2.97Å; Y482-I484 VanDerWaalsContact C-N 3.3Å; Y482-I484 PolarHBondContact O-N 2.78Å; Y482-Y485 PolarHBondContact O-N 3.28Å; Y482-I486 HydrophobicContact CD2-CD1 4Å; Y482-I486 VanDerWaalsContact O-CG1 3.3Å; Y482-I486 WeakPolarHBondContact O-CG1 3.36Å; Y482-I486 PolarHBondContact O-N 3.23Å
483R94.7Very high93.7Very high102 Ų10252.9 Ų52.939%0.38526%0.262SS..Hα-helixtrans-66.2-36.6179.2-64.5-174.1178.1-172.4-0.8111.4I480 I481 I486 A487I480-R483 HydrophobicContact CB-CG 4.1Å; I480-R483 HydrophobicContact CG2-CG 4.06Å; I480-R483 WeakPolarHBondContact O-CB 3.47Å; I480-R483 PolarHBondContact O-N 2.97Å; I481-R483 VanDerWaalsContact C-N 3.28Å; I481-R483 PolarHBondContact O-N 2.93Å; R483-I486 PolarHBondContact O-N 3.29Å; R483-A487 WeakPolarHBondContact O-CB 3.41Å; R483-A487 PolarHBondContact O-N 2.89Å
484I94.9Very high93.8Very high13 Ų1350.9 Ų50.97%0.06725%0.252CS..Hα-helixtrans-68.8-43.5179.7-56.4173.8000110.3L416 L420 L422 V430 P479 I481 Y482 A487 A488L416-I484 HydrophobicContact CD2-CG2 3.51Å; L420-I484 HydrophobicContact CD1-CD1 3.5Å; L420-I484 VanDerWaalsContact CD1-CD1 3.5Å; L420-I484 HydrophobicContact CD1-CG1 4.11Å; L422-I484 HydrophobicContact CD1-CD1 3.38Å; V430-I484 HydrophobicContact CG1-CG2 4.37Å; V430-I484 HydrophobicContact CG2-CG2 4.04Å; P479-I484 HydrophobicContact CB-CD1 4.39Å; I481-I484 PolarHBondContact O-N 3.06Å; Y482-I484 VanDerWaalsContact C-N 3.3Å; Y482-I484 PolarHBondContact O-N 2.78Å; I484-A487 PolarHBondContact O-N 3.22Å; I484-A488 WeakPolarHBondContact O-CB 3.37Å; I484-A488 PolarHBondContact O-N 3.36Å
485Y95.5Very high94Very high63 Ų6343.6 Ų43.625%0.24722%0.224CC..Hα-helixtrans-64.4-39.2175.3-75.5-65000112.6L429 V430 T433 I481 Y482 A488 G489L429-Y485 HydrophobicContact CB-CE1 4Å; L429-Y485 WeakPolarHBondContact CB-OH 3.36Å; L429-Y485 WeakPolarHBondContact CD1-OH 3.42Å; V430-Y485 HydrophobicContact CG2-CD1 4.25Å; V430-Y485 HydrophobicContact CG2-CE1 3.85Å; T433-Y485 HydrophobicContact CG2-CD1 4.2Å; T433-Y485 WeakPolarHBondContact OG1-CD1 3.25Å; I481-Y485 HydrophobicContact CG2-CD2 3.65Å; I481-Y485 HydrophobicContact CG2-CE2 3.3Å; I481-Y485 VanDerWaalsContact O-CD2 3.27Å; I481-Y485 WeakPolarHBondContact O-CD2 3.34Å; I481-Y485 PolarHBondContact O-N 3.45Å; Y482-Y485 PolarHBondContact O-N 3.28Å; Y485-A488 PolarHBondContact O-N 2.85Å; Y485-G489 PolarHBondContact O-N 2.87Å
486I97.3Very high94.4Very high96 Ų9642.8 Ų42.849%0.49222%0.219SC..Hα-helixtrans-62-47.9173.7-69.6169.2000110.6L471 Y482 R483 A488 G489 I490L471-I486 HydrophobicContact CD1-CG2 4.48Å; Y482-I486 HydrophobicContact CD2-CD1 4Å; Y482-I486 VanDerWaalsContact O-CG1 3.3Å; Y482-I486 WeakPolarHBondContact O-CG1 3.36Å; Y482-I486 PolarHBondContact O-N 3.23Å; R483-I486 PolarHBondContact O-N 3.29Å; I486-A488 VanDerWaalsContact C-N 3.34Å; I486-A488 PolarHBondContact O-N 3.4Å; I486-G489 PolarHBondContact O-N 3.32Å; I486-I490 HydrophobicContact CG2-CD1 3.86Å; I486-I490 WeakPolarHBondContact O-CG1 3.43Å; I486-I490 PolarHBondContact O-N 3.13Å
487A97.6Very high94.9Very high7 Ų742.3 Ų42.36%0.05821%0.211CC..Hα-helixtrans-59.2-45177.600000111.5F468 L471 R483 I484 G489 I490 L491F468-A487 HydrophobicContact CD2-CB 4.07Å; F468-A487 WeakPolarHBondContact CD2-O 3.42Å; F468-A487 HydrophobicContact CE2-CB 4.43Å; L471-A487 HydrophobicContact CB-CB 4.01Å; L471-A487 HydrophobicContact CD1-CB 4.2Å; R483-A487 WeakPolarHBondContact O-CB 3.41Å; R483-A487 PolarHBondContact O-N 2.89Å; I484-A487 PolarHBondContact O-N 3.22Å; A487-G489 PolarHBondContact O-N 3.09Å; A487-I490 PolarHBondContact O-N 3.48Å; A487-L491 PolarHBondContact O-N 3.3Å
488A96.7Very high95.5Very high2 Ų237.2 Ų37.22%0.01718%0.184CC..Hα-helixtrans-63.5-40.4177.400000113V430 T433 V434 I484 Y485 I486 I490 L491 G492V430-A488 HydrophobicContact CG1-CB 3.51Å; T433-A488 HydrophobicContact CG2-CB 4.48Å; V434-A488 HydrophobicContact CG2-CB 3.9Å; V434-A488 WeakPolarHBondContact CG2-O 3.4Å; I484-A488 WeakPolarHBondContact O-CB 3.37Å; I484-A488 PolarHBondContact O-N 3.36Å; Y485-A488 PolarHBondContact O-N 2.85Å; I486-A488 VanDerWaalsContact C-N 3.34Å; I486-A488 PolarHBondContact O-N 3.4Å; A488-I490 VanDerWaalsContact C-N 3.35Å; A488-L491 WeakPolarHBondContact O-CB 3.3Å; A488-L491 PolarHBondContact O-N 3.02Å; A488-G492 PolarHBondContact O-N 3.26Å
489G97.9Very high96Very high8 Ų833 Ų338%0.08216%0.157CC..Hα-helixtrans-62.8-41.4174.400000112.7T437 Y485 I486 A487 G492 I493T437-G489 PolarHBondContact OG1-O 3.48Å; Y485-G489 PolarHBondContact O-N 2.87Å; I486-G489 PolarHBondContact O-N 3.32Å; A487-G489 PolarHBondContact O-N 3.09Å; G489-G492 PolarHBondContact O-N 3.46Å; G489-I493 WeakPolarHBondContact O-CG1 3.45Å; G489-I493 PolarHBondContact O-N 3.4Å; G489-I493 VanDerWaalsContact O-N 3.14Å
490I98.4Very high96.5Very high29 Ų2932 Ų3215%0.14915%0.149CC..Hα-helixtrans-63-43.1175.3-74.2168.5000111.4F464 I467 F468 L471 I486 A487 A488 G492 I493 G494F464-I490 HydrophobicContact CB-CG2 4.22Å; F464-I490 HydrophobicContact CD1-CG2 4.13Å; F464-I490 WeakPolarHBondContact O-CG2 3.41Å; I467-I490 HydrophobicContact CB-CG2 4.26Å; I467-I490 HydrophobicContact CG2-CD1 3.95Å; I467-I490 HydrophobicContact CG2-CG2 4.24Å; F468-I490 HydrophobicContact CB-CG2 4.08Å; L471-I490 HydrophobicContact CD1-CD1 3.61Å; I486-I490 HydrophobicContact CG2-CD1 3.86Å; I486-I490 WeakPolarHBondContact O-CG1 3.43Å; I486-I490 PolarHBondContact O-N 3.13Å; A487-I490 PolarHBondContact O-N 3.48Å; A488-I490 VanDerWaalsContact C-N 3.35Å; I490-G492 VanDerWaalsContact C-N 3.34Å; I490-G492 PolarHBondContact O-N 3.05Å; I490-I493 PolarHBondContact O-N 3.44Å; I490-G494 PolarHBondContact O-N 3.18Å
491L98.1Very high96.7Very high1 Ų129.5 Ų29.51%0.00514%0.137CC..Hα-helixtrans-58.3-46174.7179.165.9000111.3L412 V434 F468 A487 A488 I493 G494 C495L412-L491 HydrophobicContact CD2-CD2 4.36Å; V434-L491 HydrophobicContact CG2-CD2 4.44Å; F468-L491 HydrophobicContact CB-CB 4.42Å; F468-L491 HydrophobicContact CD1-CD1 3.75Å; F468-L491 HydrophobicContact CD2-CB 3.72Å; F468-L491 HydrophobicContact CD2-CD1 4.43Å; F468-L491 HydrophobicContact CD2-CD2 4.43Å; F468-L491 HydrophobicContact CD2-CG 4.41Å; F468-L491 HydrophobicContact CE1-CD1 3.89Å; F468-L491 HydrophobicContact CE1-CD2 4.27Å; F468-L491 HydrophobicContact CE2-CB 4.05Å; F468-L491 HydrophobicContact CE2-CD2 3.93Å; F468-L491 HydrophobicContact CE2-CG 4.39Å; F468-L491 HydrophobicContact CG-CB 3.96Å; F468-L491 HydrophobicContact CG-CD1 4.02Å; F468-L491 HydrophobicContact CG-CG 4.46Å; F468-L491 HydrophobicContact CZ-CD1 4.28Å; F468-L491 HydrophobicContact CZ-CD2 3.84Å; F468-L491 HydrophobicContact CZ-CG 4.45Å; A487-L491 PolarHBondContact O-N 3.3Å; A488-L491 WeakPolarHBondContact O-CB 3.3Å; A488-L491 PolarHBondContact O-N 3.02Å; L491-I493 PolarHBondContact O-N 3.25Å; L491-G494 PolarHBondContact O-N 2.93Å; L491-C495 VanDerWaalsContact CD1-SG 3.56Å; L491-C495 VanDerWaalsContact O-CB 3.3Å; L491-C495 WeakPolarHBondContact O-CB 3.39Å; L491-C495 PolarHBondContact O-N 3.48Å
492G97.7Very high97Very high0 Ų024.9 Ų24.90%011%0.113CC..Hα-helixtrans-58.2-44.617800000112.9S438 A488 G489 I490 T496S438-G492 PolarHBondContact OG-O 2.94Å; A488-G492 PolarHBondContact O-N 3.26Å; G489-G492 PolarHBondContact O-N 3.46Å; I490-G492 VanDerWaalsContact C-N 3.34Å; I490-G492 PolarHBondContact O-N 3.05Å; G492-T496 VanDerWaalsContact O-CB 3.26Å; G492-T496 WeakPolarHBondContact O-CB 3.44Å; G492-T496 PolarHBondContact O-N 3.19Å; G492-T496 PolarHBondContact O-OG1 3.15Å
493I98.4Very high97.1Very high44 Ų4418.6 Ų18.623%0.2269%0.089CC..Hα-helixtrans-61-54.4175.2-63164.9000110.4T441 F464 G489 I490 L491 T496 I497T441-I493 HydrophobicContact CG2-CG2 4.41Å; F464-I493 HydrophobicContact CD1-CB 4.45Å; F464-I493 HydrophobicContact CD1-CG2 4.15Å; F464-I493 HydrophobicContact CD2-CG2 3.91Å; F464-I493 HydrophobicContact CE1-CD1 4.37Å; F464-I493 HydrophobicContact CE1-CG2 4.16Å; F464-I493 HydrophobicContact CE2-CG2 3.92Å; F464-I493 HydrophobicContact CG-CG2 4.03Å; F464-I493 HydrophobicContact CZ-CG2 4.05Å; G489-I493 WeakPolarHBondContact O-CG1 3.45Å; G489-I493 PolarHBondContact O-N 3.4Å; G489-I493 VanDerWaalsContact O-N 3.14Å; I490-I493 PolarHBondContact O-N 3.44Å; L491-I493 PolarHBondContact O-N 3.25Å; I493-T496 PolarHBondContact O-N 3.05Å; I493-I497 HydrophobicContact CG2-CD1 3.77Å; I493-I497 WeakPolarHBondContact O-CG1 3.46Å; I493-I497 PolarHBondContact O-N 3.27Å; I493-I497 VanDerWaalsContact O-N 3.1Å
494G98.4Very high97.1Very high0 Ų013.8 Ų13.80%07%0.071CC..Hα-helixtrans-59.9-52.6-175.700000113.2I490 L491 T496 I497 I498I490-G494 PolarHBondContact O-N 3.18Å; L491-G494 PolarHBondContact O-N 2.93Å; G494-T496 VanDerWaalsContact C-N 3.3Å; G494-T496 PolarHBondContact O-N 3.39Å; G494-I497 PolarHBondContact O-N 3.26Å; G494-I498 WeakPolarHBondContact O-CG1 3.39Å; G494-I498 PolarHBondContact O-N 2.66Å; G494-I498 VanDerWaalsContact O-N 3.13Å
495C98Very high97.1Very high4 Ų413.2 Ų13.23%0.0277%0.068CC..Hα-helixtrans-58.8-40.1179.5-78.40000112.3V405 L491 I498 L499V405-C495 HydrophobicContact CG2-CB 3.98Å; L491-C495 VanDerWaalsContact CD1-SG 3.56Å; L491-C495 VanDerWaalsContact O-CB 3.3Å; L491-C495 WeakPolarHBondContact O-CB 3.39Å; L491-C495 PolarHBondContact O-N 3.48Å; C495-I498 WeakPolarHBondContact O-CG1 3.3Å; C495-L499 WeakPolarHBondContact O-CB 3.36Å; C495-L499 PolarHBondContact O-N 3.3Å; C495-L499 VanDerWaalsContact O-N 3.09Å
496T97.5Very high97.1Very high0 Ų010.2 Ų10.20%06%0.056CC..Hα-helixtrans-64.5-46.2178.4-57.70000111.5Y228 S438 T441 T442 G492 I493 G494 L499 I500Y228-T496 HydrophobicContact CD1-CG2 3.9Å; Y228-T496 HydrophobicContact CE1-CG2 3.69Å; S438-T496 WeakPolarHBondContact CA-OG1 3.44Å; S438-T496 VanDerWaalsContact CB-OG1 3.26Å; S438-T496 WeakPolarHBondContact CB-OG1 3.46Å; S438-T496 PolarHBondContact OG-OG1 3.1Å; T441-T496 HydrophobicContact CG2-CG2 3.72Å; T442-T496 HydrophobicContact CG2-CG2 3.9Å; G492-T496 VanDerWaalsContact O-CB 3.26Å; G492-T496 WeakPolarHBondContact O-CB 3.44Å; G492-T496 PolarHBondContact O-N 3.19Å; G492-T496 PolarHBondContact O-OG1 3.15Å; I493-T496 PolarHBondContact O-N 3.05Å; G494-T496 VanDerWaalsContact C-N 3.3Å; G494-T496 PolarHBondContact O-N 3.39Å; T496-L499 PolarHBondContact O-N 3Å; T496-I500 HydrophobicContact CG2-CD1 3.62Å; T496-I500 HydrophobicContact CG2-CG1 4.47Å; T496-I500 WeakPolarHBondContact O-CG1 3.26Å; T496-I500 PolarHBondContact O-N 3.35Å
497I97.9Very high96.9Very high10 Ų105.7 Ų5.75%0.0513%0.033CC..Hα-helixtrans-60.6-51.8-179.7-68.4168.2000110.5T441 N457 I460 F464 I493 G494 L499 T501T441-I497 HydrophobicContact CG2-CD1 4.39Å; T441-I497 HydrophobicContact CG2-CG1 3.76Å; N457-I497 WeakPolarHBondContact O-CG2 3.34Å; I460-I497 HydrophobicContact CG2-CD1 4.34Å; F464-I497 HydrophobicContact CD2-CD1 4.28Å; F464-I497 HydrophobicContact CE2-CD1 4.42Å; I493-I497 HydrophobicContact CG2-CD1 3.77Å; I493-I497 WeakPolarHBondContact O-CG1 3.46Å; I493-I497 PolarHBondContact O-N 3.27Å; I493-I497 VanDerWaalsContact O-N 3.1Å; G494-I497 PolarHBondContact O-N 3.26Å; I497-L499 VanDerWaalsContact C-N 3.33Å; I497-L499 PolarHBondContact O-N 2.95Å; I497-T501 WeakPolarHBondContact O-CB 3.35Å; I497-T501 PolarHBondContact O-N 3.34Å; I497-T501 PolarHBondContact O-OG1 3.04Å
498I97.8Very high96.6Very high0 Ų07.2 Ų7.20%04%0.04CC..Hα-helixtrans-66.6-35.9-176.362.9166.7000112.1V401 I404 V405 L462 I465 G494 C495 S502V401-I498 HydrophobicContact CB-CD1 4.45Å; V401-I498 HydrophobicContact CG1-CB 4.31Å; V401-I498 HydrophobicContact CG1-CD1 4Å; V401-I498 HydrophobicContact CG1-CG1 3.99Å; V401-I498 HydrophobicContact CG2-CB 4.38Å; V401-I498 HydrophobicContact CG2-CD1 4.5Å; I404-I498 HydrophobicContact CB-CD1 4.28Å; I404-I498 HydrophobicContact CD1-CD1 4.34Å; I404-I498 HydrophobicContact CG2-CD1 4Å; V405-I498 HydrophobicContact CG2-CD1 4.29Å; V405-I498 HydrophobicContact CG2-CG1 4.49Å; L462-I498 HydrophobicContact CD2-CG2 4.34Å; L462-I498 HydrophobicContact CG-CG2 4.36Å; I465-I498 HydrophobicContact CD1-CD1 3.39Å; I465-I498 HydrophobicContact CD1-CG1 4.03Å; I465-I498 HydrophobicContact CD1-CG2 4.33Å; G494-I498 WeakPolarHBondContact O-CG1 3.39Å; G494-I498 PolarHBondContact O-N 2.66Å; G494-I498 VanDerWaalsContact O-N 3.13Å; C495-I498 WeakPolarHBondContact O-CG1 3.3Å; I498-S502 WeakPolarHBondContact O-CB 3.46Å; I498-S502 PolarHBondContact O-N 3.43Å; I498-S502 PolarHBondContact O-OG 2.95Å
499L96.8Very high96.3Very high5 Ų58 Ų83%0.0264%0.044CC..Hα-helixtrans-71.2-47.9-178.5-175.865.1000111.8Y228 V401 V405 C495 T496 I497 T501 S502 L503Y228-L499 HydrophobicContact CD2-CD2 3.76Å; Y228-L499 HydrophobicContact CE2-CD2 3.32Å; V401-L499 HydrophobicContact CG1-CB 4.45Å; V401-L499 HydrophobicContact CG1-CD1 4.21Å; V405-L499 HydrophobicContact CG2-CB 4.45Å; C495-L499 WeakPolarHBondContact O-CB 3.36Å; C495-L499 PolarHBondContact O-N 3.3Å; C495-L499 VanDerWaalsContact O-N 3.09Å; T496-L499 PolarHBondContact O-N 3Å; I497-L499 VanDerWaalsContact C-N 3.33Å; I497-L499 PolarHBondContact O-N 2.95Å; L499-T501 VanDerWaalsContact C-N 3.34Å; L499-S502 PolarHBondContact O-OG 3.48Å; L499-L503 HydrophobicContact CD1-CD1 4.43Å; L499-L503 HydrophobicContact CG-CD1 4.4Å; L499-L503 WeakPolarHBondContact O-CG 3.48Å; L499-L503 PolarHBondContact O-N 3.33Å; L499-L503 VanDerWaalsContact O-N 3.16Å
500I96.6Very high96Very high1 Ų17.7 Ų7.71%0.0054%0.04CC..Hα-helixtrans-64.8-44177.9-64168.1000110.1T221 T224 Y228 T442 Q445 T496 S502 A504T221-I500 HydrophobicContact CG2-CG2 4.46Å; T224-I500 HydrophobicContact CG2-CB 4.49Å; T224-I500 HydrophobicContact CG2-CG2 3.98Å; Y228-I500 HydrophobicContact CD1-CD1 4.12Å; Y228-I500 HydrophobicContact CD1-CG1 4.25Å; Y228-I500 HydrophobicContact CG-CG1 4.42Å; T442-I500 HydrophobicContact CG2-CD1 4.03Å; Q445-I500 HydrophobicContact CB-CD1 4.22Å; Q445-I500 HydrophobicContact CG-CB 4.1Å; Q445-I500 HydrophobicContact CG-CD1 3.86Å; Q445-I500 HydrophobicContact CG-CG2 3.71Å; T496-I500 HydrophobicContact CG2-CD1 3.62Å; T496-I500 HydrophobicContact CG2-CG1 4.47Å; T496-I500 WeakPolarHBondContact O-CG1 3.26Å; T496-I500 PolarHBondContact O-N 3.35Å; I500-S502 PolarHBondContact O-N 2.77Å; I500-A504 VanDerWaalsContact O-CB 3.27Å; I500-A504 WeakPolarHBondContact O-CB 3.5Å; I500-A504 PolarHBondContact O-N 3.23Å
501T96.8Very high95.3Very high0 Ų07.3 Ų7.30%04%0.041CC..Hα-helixtrans-63.5-44.6-178.4-56.30000111.6Q445 R454 N457 I497 L499 A504 M505Q445-T501 PolarHBondContact NE2-OG1 3.38Å; R454-T501 HydrophobicContact CB-CG2 3.92Å; R454-T501 WeakPolarHBondContact O-CG2 3.46Å; N457-T501 HydrophobicContact CB-CG2 4.38Å; N457-T501 PolarHBondContact ND2-OG1 2.98Å; I497-T501 WeakPolarHBondContact O-CB 3.35Å; I497-T501 PolarHBondContact O-N 3.34Å; I497-T501 PolarHBondContact O-OG1 3.04Å; L499-T501 VanDerWaalsContact C-N 3.34Å; T501-A504 PolarHBondContact O-N 3.44Å; T501-M505 HydrophobicContact CG2-CG 4.49Å; T501-M505 HydrophobicContact CG2-SD 4.03Å; T501-M505 VanDerWaalsContact O-CG 3.25Å; T501-M505 WeakPolarHBondContact O-CG 3.43Å; T501-M505 PolarHBondContact O-N 3.45Å
502S96.9Very high94.3Very high0 Ų013.5 Ų13.50%07%0.068CC..Hα-helixtrans-65.3-44.3-179.860.80000113.1I498 L499 I500 A504 M505 V506I498-S502 WeakPolarHBondContact O-CB 3.46Å; I498-S502 PolarHBondContact O-N 3.43Å; I498-S502 PolarHBondContact O-OG 2.95Å; L499-S502 PolarHBondContact O-OG 3.48Å; I500-S502 PolarHBondContact O-N 2.77Å; S502-A504 VanDerWaalsContact C-N 3.29Å; S502-A504 PolarHBondContact O-N 3.21Å; S502-M505 WeakPolarHBondContact O-CB 2.94Å; S502-M505 PolarHBondContact O-N 3.31Å; S502-M505 VanDerWaalsContact O-N 3.15Å; S502-V506 WeakPolarHBondContact O-CG2 3.48Å; S502-V506 PolarHBondContact O-N 2.78Å
503L95.3Very high93.5Very high6 Ų615.8 Ų15.83%0.0318%0.081CC..Hα-helixtrans-60.7-41.4173.9-75.3172.7000111.5L207 T224 Y398 L499 M505 V506 S507L207-L503 HydrophobicContact CD2-CD2 4.2Å; T224-L503 HydrophobicContact CG2-CB 3.66Å; T224-L503 HydrophobicContact CG2-CD1 3.92Å; T224-L503 HydrophobicContact CG2-CG 4.48Å; Y398-L503 HydrophobicContact CE2-CD2 3.7Å; Y398-L503 HydrophobicContact CE2-CG 4.21Å; L499-L503 HydrophobicContact CD1-CD1 4.43Å; L499-L503 HydrophobicContact CG-CD1 4.4Å; L499-L503 WeakPolarHBondContact O-CG 3.48Å; L499-L503 PolarHBondContact O-N 3.33Å; L499-L503 VanDerWaalsContact O-N 3.16Å; L503-M505 VanDerWaalsContact C-N 3.34Å; L503-M505 PolarHBondContact O-N 2.99Å; L503-V506 PolarHBondContact O-N 3.17Å; L503-S507 PolarHBondContact O-N 2.97Å
504A94.8Very high92.7Very high0 Ų014.8 Ų14.80%08%0.075CC..Hα-helixtrans-63.8-41.417600000110.6R454 I500 T501 S502 V506 S507 D508R454-A504 PolarHBondContact NH1-O 3.45Å; I500-A504 VanDerWaalsContact O-CB 3.27Å; I500-A504 WeakPolarHBondContact O-CB 3.5Å; I500-A504 PolarHBondContact O-N 3.23Å; T501-A504 PolarHBondContact O-N 3.44Å; S502-A504 VanDerWaalsContact C-N 3.29Å; S502-A504 PolarHBondContact O-N 3.21Å; A504-V506 PolarHBondContact O-N 2.86Å; A504-S507 CarbonylContact O-C 3.54Å; A504-S507 WeakPolarHBondContact O-CA 3.21Å; A504-S507 VanDerWaalsContact O-CB 3.27Å; A504-S507 WeakPolarHBondContact O-CB 3.48Å; A504-S507 PolarHBondContact O-N 2.92Å; A504-D508 PolarHBondContact O-N 3.28Å
505M95.1Very high91.9Very high1 Ų120.2 Ų20.21%0.00510%0.101CC..Hα-helixtrans-61.9-39.7175.4-69.9165.97400112.4L394 F397 R454 T501 S502 L503 S507 D508 L509 Y574L394-M505 HydrophobicContact CD1-CB 3.92Å; L394-M505 HydrophobicContact CD1-CE 4.07Å; F397-M505 HydrophobicContact CD1-CE 4.47Å; F397-M505 HydrophobicContact CE1-CE 4.03Å; F397-M505 HydrophobicContact CE1-SD 3.71Å; F397-M505 HydrophobicContact CZ-CE 4.35Å; F397-M505 HydrophobicContact CZ-SD 4.02Å; R454-M505 HydrophobicContact CB-CG 3.97Å; R454-M505 HydrophobicContact CB-SD 4.31Å; T501-M505 HydrophobicContact CG2-CG 4.49Å; T501-M505 HydrophobicContact CG2-SD 4.03Å; T501-M505 VanDerWaalsContact O-CG 3.25Å; T501-M505 WeakPolarHBondContact O-CG 3.43Å; T501-M505 PolarHBondContact O-N 3.45Å; S502-M505 WeakPolarHBondContact O-CB 2.94Å; S502-M505 PolarHBondContact O-N 3.31Å; S502-M505 VanDerWaalsContact O-N 3.15Å; L503-M505 VanDerWaalsContact C-N 3.34Å; L503-M505 PolarHBondContact O-N 2.99Å; M505-S507 VanDerWaalsContact C-N 3.32Å; M505-D508 WeakPolarHBondContact O-CB 3.48Å; M505-D508 PolarHBondContact O-N 2.73Å; M505-L509 PolarHBondContact O-N 3.15Å; M505-Y574 HydrophobicContact CE-CD1 3.39Å; M505-Y574 HydrophobicContact CE-CD2 4.41Å; M505-Y574 HydrophobicContact CE-CE1 3.18Å; M505-Y574 HydrophobicContact CE-CE2 4.22Å; M505-Y574 HydrophobicContact CE-CG 4.03Å
506V95.1Very high91.3Very high1 Ų121.7 Ų21.71%0.00611%0.107CC..Hα-helixtrans-62.5-42.6172.9175.90000110.5L394 S502 L503 A504 D508 L509 I510 V520 Y521 M524L394-V506 HydrophobicContact CD2-CB 4.39Å; L394-V506 HydrophobicContact CD2-CG2 3.93Å; L394-V506 HydrophobicContact CG-CG2 4.05Å; S502-V506 WeakPolarHBondContact O-CG2 3.48Å; S502-V506 PolarHBondContact O-N 2.78Å; L503-V506 PolarHBondContact O-N 3.17Å; A504-V506 PolarHBondContact O-N 2.86Å; V506-D508 VanDerWaalsContact C-N 3.33Å; V506-D508 PolarHBondContact O-N 2.97Å; V506-L509 WeakPolarHBondContact O-CB 3.39Å; V506-L509 PolarHBondContact O-N 3.29Å; V506-I510 HydrophobicContact CG1-CD1 3.85Å; V506-I510 WeakPolarHBondContact O-CD1 3.29Å; V506-I510 WeakPolarHBondContact O-CG1 3.29Å; V506-I510 PolarHBondContact O-N 3.46Å; V506-I510 VanDerWaalsContact O-N 3.16Å; V506-V520 HydrophobicContact CG1-CG1 4.35Å; V506-Y521 HydrophobicContact CB-CE1 4.06Å; V506-Y521 HydrophobicContact CG1-CD1 3.66Å; V506-Y521 HydrophobicContact CG1-CE1 3.42Å; V506-Y521 VanDerWaalsContact CG1-CE1 3.42Å; V506-M524 HydrophobicContact CG1-CG 4.31Å; V506-M524 HydrophobicContact CG2-SD 4.39Å
507S93.1Very high90.8Very high0 Ų021.7 Ų21.70%011%0.107CC..Hα-helixtrans-60-42174.3-1580000112I210 N211 R220 L503 A504 M505 L509 I510 A511 Y521I210-S507 WeakPolarHBondContact CG2-OG 3.41Å; N211-S507 PolarHBondContact OD1-O 2.91Å; N211-S507 PolarHBondContact OD1-OG 3.18Å; R220-S507 WeakPolarHBondContact CD-OG 3.42Å; R220-S507 PolarHBondContact NH1-O 2.9Å; L503-S507 PolarHBondContact O-N 2.97Å; A504-S507 CarbonylContact O-C 3.54Å; A504-S507 WeakPolarHBondContact O-CA 3.21Å; A504-S507 VanDerWaalsContact O-CB 3.27Å; A504-S507 WeakPolarHBondContact O-CB 3.48Å; A504-S507 PolarHBondContact O-N 2.92Å; M505-S507 VanDerWaalsContact C-N 3.32Å; S507-L509 PolarHBondContact O-N 3.29Å; S507-I510 PolarHBondContact O-N 3.43Å; S507-A511 PolarHBondContact O-N 3.26Å; S507-Y521 WeakPolarHBondContact CA-OH 3.3Å; S507-Y521 VanDerWaalsContact CB-OH 3.3Å; S507-Y521 WeakPolarHBondContact CB-OH 3.48Å; S507-Y521 PolarHBondContact OG-OH 3.45Å
508D91.3Very high90.5Very high39 Ų3921.2 Ų21.221%0.20910%0.104CC..Hα-helixtrans-61-41.8175.9-75.3-4.2000112.9R220 R454 A504 M505 V506 I510 A511R220-D508 IonicContact CZ-OD1 2.65Å; R220-D508 IonicContact NH1-OD1 2.66Å; R220-D508 PolarHBondContact NH1-OD1 2.81Å; R220-D508 VanDerWaalsContact NH1-OD1 3.12Å; R220-D508 IonicContact NH2-OD1 2.91Å; R220-D508 PolarHBondContact NH2-OD1 3.41Å; R220-D508 VanDerWaalsContact NH2-OD1 3.14Å; R454-D508 WeakPolarHBondContact CD-OD2 3.42Å; R454-D508 IonicContact CZ-OD1 2.63Å; R454-D508 IonicContact CZ-OD2 2.65Å; R454-D508 IonicContact NE-OD2 2.92Å; R454-D508 PolarHBondContact NE-OD2 2.62Å; R454-D508 VanDerWaalsContact NE-OD2 3.16Å; R454-D508 IonicContact NH1-OD1 3.13Å; R454-D508 PolarHBondContact NH1-OD1 3.22Å; R454-D508 VanDerWaalsContact NH1-OD1 3.13Å; R454-D508 IonicContact NH1-OD2 3.16Å; R454-D508 PolarHBondContact NH1-OD2 3.1Å; R454-D508 IonicContact NH2-OD1 3.46Å; R454-D508 IonicContact NH2-OD2 3.55Å; A504-D508 PolarHBondContact O-N 3.28Å; M505-D508 WeakPolarHBondContact O-CB 3.48Å; M505-D508 PolarHBondContact O-N 2.73Å; V506-D508 VanDerWaalsContact C-N 3.33Å; V506-D508 PolarHBondContact O-N 2.97Å; D508-I510 VanDerWaalsContact C-N 3.3Å; D508-I510 PolarHBondContact O-N 3.16Å; D508-A511 WeakPolarHBondContact O-CB 3.41Å; D508-A511 PolarHBondContact O-N 3.19Å
509L91Very high90.3Very high20 Ų2021.7 Ų21.711%0.10511%0.107CC..Hα-helixtrans-59.9-43.4175.7-179.963.6000111.3W385 L388 L390 F391 L394 M505 V506 S507 M524W385-L509 HydrophobicContact CH2-CG 4.21Å; W385-L509 WeakPolarHBondContact CH2-O 3.45Å; W385-L509 HydrophobicContact CZ3-CD1 4.08Å; W385-L509 HydrophobicContact CZ3-CD2 4.1Å; W385-L509 HydrophobicContact CZ3-CG 3.72Å; L388-L509 HydrophobicContact CD2-CD1 3.99Å; L390-L509 HydrophobicContact CB-CD1 4.39Å; L390-L509 HydrophobicContact CD2-CD1 3.63Å; L390-L509 HydrophobicContact CG-CD1 4Å; F391-L509 HydrophobicContact CB-CD2 4.49Å; L394-L509 HydrophobicContact CD2-CB 3.85Å; L394-L509 HydrophobicContact CD2-CD2 3.68Å; L394-L509 HydrophobicContact CD2-CG 4.36Å; M505-L509 PolarHBondContact O-N 3.15Å; V506-L509 WeakPolarHBondContact O-CB 3.39Å; V506-L509 PolarHBondContact O-N 3.29Å; S507-L509 PolarHBondContact O-N 3.29Å; L509-M524 HydrophobicContact CD2-CE 4.39Å
510I90.2Very high90.2Very high0 Ų021.5 Ų21.50%011%0.105CC..Hα-helixtrans-75.6-25.6-177.1-63.8162000112.5N211 V506 S507 D508 K512 N513 Q514 G517 V520 Y521N211-I510 HydrophobicContact CB-CG2 4.41Å; N211-I510 VanDerWaalsContact ND2-CG2 3.32Å; N211-I510 WeakPolarHBondContact ND2-CG2 3.35Å; V506-I510 HydrophobicContact CG1-CD1 3.85Å; V506-I510 WeakPolarHBondContact O-CD1 3.29Å; V506-I510 WeakPolarHBondContact O-CG1 3.29Å; V506-I510 PolarHBondContact O-N 3.46Å; V506-I510 VanDerWaalsContact O-N 3.16Å; S507-I510 PolarHBondContact O-N 3.43Å; D508-I510 VanDerWaalsContact C-N 3.3Å; D508-I510 PolarHBondContact O-N 3.16Å; I510-K512 PolarHBondContact O-N 3.07Å; I510-N513 CarbonylContact O-C 3.57Å; I510-N513 PolarHBondContact O-N 3.49Å; I510-Q514 PolarHBondContact O-N 3.23Å; I510-G517 VanDerWaalsContact CG2-CA 3.41Å; I510-V520 HydrophobicContact CD1-CB 3.81Å; I510-V520 HydrophobicContact CD1-CG1 3.79Å; I510-V520 HydrophobicContact CG1-CB 3.87Å; I510-V520 HydrophobicContact CG1-CG1 3.81Å; I510-V520 HydrophobicContact CG1-CG2 4.21Å; I510-Y521 HydrophobicContact CD1-CD1 4.45Å; I510-Y521 HydrophobicContact CD1-CD2 3.64Å; I510-Y521 HydrophobicContact CD1-CE1 4.27Å; I510-Y521 HydrophobicContact CD1-CE2 3.45Å; I510-Y521 VanDerWaalsContact CD1-CE2 3.45Å; I510-Y521 HydrophobicContact CD1-CG 4.16Å
511A84Confident90.1Very high21 Ų2121.6 Ų21.617%0.17411%0.106CC..THydrogen-bonded Turntrans-47.8-42.4-168.700000114.6S507 D508 Q514S507-A511 PolarHBondContact O-N 3.26Å; D508-A511 WeakPolarHBondContact O-CB 3.41Å; D508-A511 PolarHBondContact O-N 3.19Å; A511-Q514 WeakPolarHBondContact O-CG 3.47Å; A511-Q514 PolarHBondContact O-NE2 2.97Å
512K77.2Confident90Very high131 Ų13121.6 Ų21.657%0.5711%0.106SC*.THydrogen-bonded Turntrans-72.5-28.5-178.1-68.5-178.5172.8179.10112.6I510 E585I510-K512 PolarHBondContact O-N 3.07Å; K512-E585 IonicContact NZ-OE1 3.6Å; K512-E585 PolarHBondContact NZ-OE1 3.18Å; K512-E585 IonicContact NZ-OE2 3.51Å; K512-E585 PolarHBondContact NZ-OE2 3.11Å
513N82.1Confident89.9Confident49 Ų4924.2 Ų24.226%0.26212%0.116SC..  trans-135.571.1-173.6-70.6-49.2000111.3I379 W385 I510 Q515I379-N513 HydrophobicContact CB-CB 4.08Å; I379-N513 HydrophobicContact CD1-CB 4.26Å; I379-N513 WeakPolarHBondContact CD1-ND2 3.16Å; I379-N513 WeakPolarHBondContact CG1-ND2 3.33Å; W385-N513 HydrophobicContact CZ2-CB 3.97Å; I510-N513 CarbonylContact O-C 3.57Å; I510-N513 PolarHBondContact O-N 3.49Å; N513-Q515 VanDerWaalsContact C-N 3.28Å; N513-Q515 PolarHBondContact O-N 3.05Å
514Q81.5Confident89.8Confident22 Ų2224 Ų2410%0.10312%0.115CC..G310 helixtrans-72.6-17.4-173.2-53.7-172.8-2.900114.5R151 N211 I510 A511 H516 G517R151-Q514 PolarHBondContact NH2-O 3.2Å; N211-Q514 HydrophobicContact CB-CG 4.19Å; N211-Q514 VanDerWaalsContact O-CD 3.26Å; N211-Q514 PolarHBondContact O-NE2 2.81Å; N211-Q514 PolarHBondContact O-OE1 3.02Å; I510-Q514 PolarHBondContact O-N 3.23Å; A511-Q514 WeakPolarHBondContact O-CG 3.47Å; A511-Q514 PolarHBondContact O-NE2 2.97Å; Q514-H516 VanDerWaalsContact C-N 3.29Å; Q514-H516 PolarHBondContact O-N 2.63Å; Q514-G517 PolarHBondContact O-N 3.3Å; Q514-G517 VanDerWaalsContact O-N 3.09Å
515Q79.9Confident89.6Confident115 Ų11524.1 Ų24.154%0.53712%0.116SC..G310 helixtrans-56.5-40.7-174.6-70.2-174.5-6.500112.8D67 N513D67-Q515 WeakPolarHBondContact CB-O 3.49Å; D67-Q515 VanDerWaalsContact CG-O 3.31Å; N513-Q515 VanDerWaalsContact C-N 3.28Å; N513-Q515 PolarHBondContact O-N 3.05Å
516H86.4Confident89.5Confident35 Ų3526.6 Ų26.616%0.16213%0.127CC..G310 helixtrans-112.429.8177.9-56.8-69.5000111.7D67 T380 W382 Q514D67-H516 WeakPolarHBondContact OD2-CA 3.38Å; T380-H516 PolarHBondContact O-NE2 2.93Å; W382-H516 HydrophobicContact CB-CB 4.45Å; Q514-H516 VanDerWaalsContact C-N 3.29Å; Q514-H516 PolarHBondContact O-N 2.63Å
517G87.8Confident89.4Confident0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-71.7-32-174.400000114.3D67 I510 Q514 V520 Y521D67-G517 PolarHBondContact OD2-N 3.46Å; I510-G517 VanDerWaalsContact CG2-CA 3.41Å; Q514-G517 PolarHBondContact O-N 3.3Å; Q514-G517 VanDerWaalsContact O-N 3.09Å; G517-V520 PolarHBondContact O-N 3.48Å; G517-Y521 WeakPolarHBondContact O-CD2 3.41Å; G517-Y521 PolarHBondContact O-N 3.12Å
518A91.7Very high89.3Confident0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-71.9-34.7178.300000111G63 S66 D67 I204 A208 V520 Y521 G522G63-A518 VanDerWaalsContact CA-C 3.43Å; G63-A518 WeakPolarHBondContact CA-O 3.16Å; S66-A518 WeakPolarHBondContact OG-CB 3.4Å; D67-A518 WeakPolarHBondContact OD1-CB 3.32Å; D67-A518 PolarHBondContact OD1-N 3.12Å; D67-A518 PolarHBondContact OD2-N 3.49Å; D67-A518 VanDerWaalsContact OD2-N 3.12Å; I204-A518 HydrophobicContact CG2-CB 4.11Å; I204-A518 WeakPolarHBondContact CG2-O 3.49Å; A208-A518 HydrophobicContact CB-CB 3.66Å; A518-V520 VanDerWaalsContact C-N 3.29Å; A518-V520 PolarHBondContact O-N 2.87Å; A518-Y521 PolarHBondContact O-N 2.65Å; A518-G522 PolarHBondContact O-N 2.89Å
519F93.4Very high89.2Confident10 Ų1026.4 Ų26.44%0.04413%0.126CC..Hα-helixtrans-54.3-45169.8171.4-101.1000112.1L64 D67 W382 W385 L386 G522 Y523L64-F519 HydrophobicContact CB-CD2 4.42Å; D67-F519 PolarHBondContact OD2-N 3.22Å; W382-F519 HydrophobicContact CB-CD1 4.05Å; W382-F519 HydrophobicContact CB-CE1 4.33Å; W382-F519 HydrophobicContact CB-CG 4.15Å; W382-F519 HydrophobicContact CE3-CE1 4.31Å; W382-F519 AromaticContact CE3-CE2 3.98Å; W382-F519 HydrophobicContact CE3-CE2 3.98Å; W382-F519 AromaticContact CE3-CZ 3.76Å; W382-F519 HydrophobicContact CE3-CZ 3.76Å; W382-F519 HydrophobicContact CZ3-CZ 4.38Å; W385-F519 HydrophobicContact CB-CE1 4.24Å; L386-F519 HydrophobicContact CD2-CE1 4.37Å; L386-F519 HydrophobicContact CD2-CZ 4.18Å; L386-F519 HydrophobicContact CG-CZ 4.48Å; F519-G522 PolarHBondContact O-N 3.01Å; F519-Y523 HydrophobicContact CZ-CD2 4.26Å; F519-Y523 PolarHBondContact O-N 3.03Å
520V94.2Very high89.1Confident0 Ų029.6 Ų29.60%014%0.142CC..Hα-helixtrans-60.9-52.6178.6177.30000110.8W385 F391 V506 I510 G517 A518 G522 Y523 M524W385-V520 HydrophobicContact CD2-CG2 3.42Å; W385-V520 VanDerWaalsContact CD2-CG2 3.42Å; W385-V520 VanDerWaalsContact CE2-CG2 3.43Å; W385-V520 HydrophobicContact CE3-CG2 3.86Å; W385-V520 HydrophobicContact CG-CG2 3.75Å; W385-V520 HydrophobicContact CH2-CG2 4.31Å; W385-V520 HydrophobicContact CZ2-CG2 3.9Å; W385-V520 HydrophobicContact CZ3-CG2 4.3Å; F391-V520 HydrophobicContact CD2-CG1 4.07Å; F391-V520 HydrophobicContact CD2-CG2 4.37Å; F391-V520 HydrophobicContact CE2-CB 4.34Å; F391-V520 HydrophobicContact CE2-CG1 3.95Å; F391-V520 HydrophobicContact CE2-CG2 4.16Å; V506-V520 HydrophobicContact CG1-CG1 4.35Å; I510-V520 HydrophobicContact CD1-CB 3.81Å; I510-V520 HydrophobicContact CD1-CG1 3.79Å; I510-V520 HydrophobicContact CG1-CB 3.87Å; I510-V520 HydrophobicContact CG1-CG1 3.81Å; I510-V520 HydrophobicContact CG1-CG2 4.21Å; G517-V520 PolarHBondContact O-N 3.48Å; A518-V520 VanDerWaalsContact C-N 3.29Å; A518-V520 PolarHBondContact O-N 2.87Å; V520-G522 PolarHBondContact O-N 3.42Å; V520-Y523 PolarHBondContact O-N 3.3Å; V520-M524 HydrophobicContact CG1-CE 3.85Å; V520-M524 HydrophobicContact CG1-CG 4.17Å; V520-M524 WeakPolarHBondContact O-CB 3.3Å; V520-M524 WeakPolarHBondContact O-CG 3.15Å; V520-M524 PolarHBondContact O-N 3.16Å
521Y94.6Very high89.1Confident4 Ų430.2 Ų30.22%0.01615%0.148CC..Hα-helixtrans-57.6-38.9175.5-77.5-62.9000112.8L207 A208 V506 S507 I510 G517 A518 S525L207-Y521 HydrophobicContact CB-CD1 4.02Å; L207-Y521 HydrophobicContact CB-CD2 4.03Å; L207-Y521 HydrophobicContact CB-CE1 4.17Å; L207-Y521 HydrophobicContact CB-CE2 4.15Å; L207-Y521 HydrophobicContact CB-CG 3.96Å; L207-Y521 HydrophobicContact CD1-CD1 4.16Å; L207-Y521 WeakPolarHBondContact O-CE2 3.48Å; A208-Y521 HydrophobicContact CB-CD2 4.19Å; V506-Y521 HydrophobicContact CB-CE1 4.06Å; V506-Y521 HydrophobicContact CG1-CD1 3.66Å; V506-Y521 HydrophobicContact CG1-CE1 3.42Å; V506-Y521 VanDerWaalsContact CG1-CE1 3.42Å; S507-Y521 WeakPolarHBondContact CA-OH 3.3Å; S507-Y521 VanDerWaalsContact CB-OH 3.3Å; S507-Y521 WeakPolarHBondContact CB-OH 3.48Å; S507-Y521 PolarHBondContact OG-OH 3.45Å; I510-Y521 HydrophobicContact CD1-CD1 4.45Å; I510-Y521 HydrophobicContact CD1-CD2 3.64Å; I510-Y521 HydrophobicContact CD1-CE1 4.27Å; I510-Y521 HydrophobicContact CD1-CE2 3.45Å; I510-Y521 VanDerWaalsContact CD1-CE2 3.45Å; I510-Y521 HydrophobicContact CD1-CG 4.16Å; G517-Y521 WeakPolarHBondContact O-CD2 3.41Å; G517-Y521 PolarHBondContact O-N 3.12Å; A518-Y521 PolarHBondContact O-N 2.65Å; Y521-S525 WeakPolarHBondContact O-CB 3.46Å; Y521-S525 PolarHBondContact O-N 2.8Å; Y521-S525 PolarHBondContact O-OG 3.32Å
522G95.3Very high89.3Confident0 Ų029.6 Ų29.60%014%0.141CC..Hα-helixtrans-61.9-44.2177.900000113T59 A518 F519 V520 F526T59-G522 WeakPolarHBondContact CB-O 3.27Å; T59-G522 VanDerWaalsContact O-CA 3.25Å; T59-G522 WeakPolarHBondContact O-CA 3.47Å; T59-G522 PolarHBondContact OG1-O 3.36Å; A518-G522 PolarHBondContact O-N 2.89Å; F519-G522 PolarHBondContact O-N 3.01Å; V520-G522 PolarHBondContact O-N 3.42Å; G522-F526 PolarHBondContact O-N 3.45Å
523Y94.4Very high89.5Confident54 Ų5424.9 Ų24.921%0.21213%0.13CC..Hα-helixtrans-72.1-40.9178.1-160.3-87.1000112.4L386 F391 W392 F519 V520 S525 F526 T527L386-Y523 HydrophobicContact CD2-CE2 4.38Å; F391-Y523 AromaticContact CE1-CD1 3.8Å; F391-Y523 HydrophobicContact CE1-CD1 3.8Å; F391-Y523 HydrophobicContact CE1-CE1 4.03Å; F391-Y523 HydrophobicContact CE1-CG 4.48Å; F391-Y523 AromaticContact CZ-CD1 3.44Å; F391-Y523 HydrophobicContact CZ-CD1 3.44Å; F391-Y523 VanDerWaalsContact CZ-CD1 3.44Å; F391-Y523 HydrophobicContact CZ-CE1 4.13Å; F391-Y523 AromaticContact CZ-CG 3.79Å; F391-Y523 HydrophobicContact CZ-CG 3.79Å; W392-Y523 AromaticContact CH2-CE1 3.9Å; W392-Y523 HydrophobicContact CH2-CE1 3.9Å; W392-Y523 AromaticContact CH2-CZ 3.88Å; W392-Y523 VanDerWaalsContact CH2-OH 3.29Å; W392-Y523 WeakPolarHBondContact CH2-OH 3.1Å; W392-Y523 AromaticContact CZ3-CE1 3.72Å; W392-Y523 HydrophobicContact CZ3-CE1 3.72Å; F519-Y523 HydrophobicContact CZ-CD2 4.26Å; F519-Y523 PolarHBondContact O-N 3.03Å; V520-Y523 PolarHBondContact O-N 3.3Å; Y523-S525 VanDerWaalsContact C-N 3.29Å; Y523-S525 PolarHBondContact O-N 2.66Å; Y523-F526 WeakPolarHBondContact O-CB 3.44Å; Y523-F526 PolarHBondContact O-N 3.46Å; Y523-F526 VanDerWaalsContact O-N 3.17Å; Y523-T527 HydrophobicContact CD1-CG2 4.21Å; Y523-T527 HydrophobicContact CE1-CG2 3.99Å; Y523-T527 PolarHBondContact O-N 3.32Å; Y523-T527 VanDerWaalsContact O-N 3.07Å
524M93.1Very high89.8Confident2 Ų226.9 Ų26.91%0.0114%0.14CC..Hα-helixtrans-57.7-44.5174.2-62.9-79.7172.300110.8F391 L394 G395 Y398 V506 L509 V520 T527 D528F391-M524 HydrophobicContact CD2-CE 3.8Å; F391-M524 HydrophobicContact CE2-CE 4.01Å; F391-M524 HydrophobicContact CG-CE 4.38Å; F391-M524 WeakPolarHBondContact O-CE 3.46Å; L394-M524 HydrophobicContact CB-CE 4.48Å; G395-M524 WeakPolarHBondContact CA-SD 3.38Å; Y398-M524 HydrophobicContact CD1-CB 3.98Å; Y398-M524 HydrophobicContact CE1-CB 4.23Å; V506-M524 HydrophobicContact CG1-CG 4.31Å; V506-M524 HydrophobicContact CG2-SD 4.39Å; L509-M524 HydrophobicContact CD2-CE 4.39Å; V520-M524 HydrophobicContact CG1-CE 3.85Å; V520-M524 HydrophobicContact CG1-CG 4.17Å; V520-M524 WeakPolarHBondContact O-CB 3.3Å; V520-M524 WeakPolarHBondContact O-CG 3.15Å; V520-M524 PolarHBondContact O-N 3.16Å; M524-T527 PolarHBondContact O-N 3.17Å; M524-T527 PolarHBondContact O-OG1 2.83Å; M524-D528 PolarHBondContact O-N 3.42Å
525S90.7Very high90.2Very high2 Ų227 Ų271%0.01414%0.142CC..Hα-helixtrans-66.1-40.5175.9-55.20000111.8I204 Y521 Y523 T527 D528 K529I204-S525 WeakPolarHBondContact CD1-OG 3.28Å; Y521-S525 WeakPolarHBondContact O-CB 3.46Å; Y521-S525 PolarHBondContact O-N 2.8Å; Y521-S525 PolarHBondContact O-OG 3.32Å; Y523-S525 VanDerWaalsContact C-N 3.29Å; Y523-S525 PolarHBondContact O-N 2.66Å; S525-T527 VanDerWaalsContact C-N 3.31Å; S525-T527 PolarHBondContact O-N 3.35Å; S525-D528 PolarHBondContact O-N 2.9Å; S525-D528 VanDerWaalsContact O-N 3.13Å; S525-K529 WeakPolarHBondContact O-CG 3.5Å; S525-K529 PolarHBondContact O-N 3.07Å
526F93.2Very high90.5Very high54 Ų5424.5 Ų24.524%0.23713%0.132CC..Hα-helixtrans-55.7-46.6175.3165.8-107000112G56 T59 P60 G522 Y523 D528 K529 L530G56-F526 VanDerWaalsContact O-CD2 3.31Å; G56-F526 WeakPolarHBondContact O-CD2 3.34Å; T59-F526 PolarHBondContact OG1-N 2.91Å; P60-F526 HydrophobicContact CG-CB 4.45Å; G522-F526 PolarHBondContact O-N 3.45Å; Y523-F526 WeakPolarHBondContact O-CB 3.44Å; Y523-F526 PolarHBondContact O-N 3.46Å; Y523-F526 VanDerWaalsContact O-N 3.17Å; F526-D528 VanDerWaalsContact C-N 3.32Å; F526-D528 PolarHBondContact O-N 3.44Å; F526-K529 PolarHBondContact O-N 3.32Å; F526-L530 HydrophobicContact CZ-CD2 4.05Å; F526-L530 WeakPolarHBondContact O-CB 3.49Å; F526-L530 PolarHBondContact O-N 2.92Å; F526-L530 VanDerWaalsContact O-N 3.07Å
527T92Very high90.3Very high23 Ų2327.7 Ų27.714%0.14115%0.147CC..Hα-helixtrans-63.1-37.3178.358.40000112.5Y523 M524 S525 A531Y523-T527 HydrophobicContact CD1-CG2 4.21Å; Y523-T527 HydrophobicContact CE1-CG2 3.99Å; Y523-T527 PolarHBondContact O-N 3.32Å; Y523-T527 VanDerWaalsContact O-N 3.07Å; M524-T527 PolarHBondContact O-N 3.17Å; M524-T527 PolarHBondContact O-OG1 2.83Å; S525-T527 VanDerWaalsContact C-N 3.31Å; S525-T527 PolarHBondContact O-N 3.35Å; T527-A531 VanDerWaalsContact O-CB 3.31Å; T527-A531 WeakPolarHBondContact O-CB 3.26Å; T527-A531 PolarHBondContact O-N 3.08Å
528D91.5Very high90.4Very high0 Ų031.9 Ų31.90%017%0.168CC..Hα-helixtrans-69.8-42.1178.388.77000112.6Y398 R402 M524 S525 F526 A531 N532Y398-D528 HydrophobicContact CD1-CB 4.4Å; Y398-D528 HydrophobicContact CE1-CB 3.98Å; Y398-D528 WeakPolarHBondContact CE1-OD2 3.41Å; Y398-D528 PolarHBondContact OH-OD2 3Å; Y398-D528 VanDerWaalsContact OH-OD2 3.07Å; R402-D528 HydrophobicContact CB-CB 3.77Å; R402-D528 HydrophobicContact CG-CB 3.97Å; R402-D528 VanDerWaalsContact CG-OD2 3.27Å; R402-D528 WeakPolarHBondContact CG-OD2 3.49Å; R402-D528 IonicContact CZ-OD2 3.89Å; R402-D528 IonicContact NE-OD2 3.61Å; R402-D528 PolarHBondContact NE-OD2 3.43Å; R402-D528 IonicContact NH2-OD2 3.97Å; M524-D528 PolarHBondContact O-N 3.42Å; S525-D528 PolarHBondContact O-N 2.9Å; S525-D528 VanDerWaalsContact O-N 3.13Å; F526-D528 VanDerWaalsContact C-N 3.32Å; F526-D528 PolarHBondContact O-N 3.44Å; D528-A531 PolarHBondContact O-N 3.27Å; D528-N532 WeakPolarHBondContact O-CB 3.45Å; D528-N532 PolarHBondContact O-N 3.22Å; D528-N532 PolarHBondContact O-ND2 3.32Å
529K89Confident90.2Very high12 Ų1232.7 Ų32.75%0.05217%0.172CC..Hα-helixtrans-69.5-43.3-177.5-65.7-51.5-179.5119.30111.3D55 S525 F526 N532 G533D55-K529 WeakPolarHBondContact OD2-CE 3.45Å; D55-K529 IonicContact OD2-NZ 2.69Å; D55-K529 PolarHBondContact OD2-NZ 3.34Å; S525-K529 WeakPolarHBondContact O-CG 3.5Å; S525-K529 PolarHBondContact O-N 3.07Å; F526-K529 PolarHBondContact O-N 3.32Å; K529-N532 PolarHBondContact O-N 2.91Å; K529-G533 PolarHBondContact O-N 3.15Å
530L88Confident89.8Confident87 Ų8735 Ų3546%0.45518%0.183SC..Hα-helixtrans-59.9-48.1175.7-177.363.2000111F526 G533 I534F526-L530 HydrophobicContact CZ-CD2 4.05Å; F526-L530 WeakPolarHBondContact O-CB 3.49Å; F526-L530 PolarHBondContact O-N 2.92Å; F526-L530 VanDerWaalsContact O-N 3.07Å; L530-G533 PolarHBondContact O-N 3.29Å; L530-I534 HydrophobicContact CD1-CD1 4.09Å; L530-I534 HydrophobicContact CG-CD1 4.05Å; L530-I534 WeakPolarHBondContact O-CG1 3.34Å; L530-I534 PolarHBondContact O-N 3.18Å; L530-I534 VanDerWaalsContact O-N 3.11Å
531A91.2Very high89.3Confident14 Ų1439.3 Ų39.312%0.11621%0.206CC..Hα-helixtrans-63.8-45.6-18000000112.4M399 L403 T527 D528 G533 I534 V535M399-A531 HydrophobicContact CG-CB 3.58Å; M399-A531 HydrophobicContact SD-CB 3.63Å; L403-A531 HydrophobicContact CD1-CB 4.23Å; L403-A531 HydrophobicContact CD2-CB 4.25Å; L403-A531 HydrophobicContact CG-CB 4.35Å; T527-A531 VanDerWaalsContact O-CB 3.31Å; T527-A531 WeakPolarHBondContact O-CB 3.26Å; T527-A531 PolarHBondContact O-N 3.08Å; D528-A531 PolarHBondContact O-N 3.27Å; A531-G533 VanDerWaalsContact C-N 3.34Å; A531-G533 PolarHBondContact O-N 3.39Å; A531-I534 PolarHBondContact O-N 3.09Å; A531-V535 WeakPolarHBondContact O-CB 3.32Å; A531-V535 WeakPolarHBondContact O-CG2 3.15Å; A531-V535 PolarHBondContact O-N 2.94Å
532N87.6Confident88.9Confident7 Ų742.8 Ų42.84%0.03722%0.224CC..Hα-helixtrans-59.4-44.1176.8-82.3-70.5000111.9L403 N406 D528 K529 I534 V535 I536L403-N532 HydrophobicContact CD2-CB 4.49Å; N406-N532 VanDerWaalsContact CB-OD1 3.29Å; N406-N532 WeakPolarHBondContact CB-OD1 3.1Å; N406-N532 PolarHBondContact ND2-ND2 3.06Å; N406-N532 PolarHBondContact ND2-OD1 3.38Å; D528-N532 WeakPolarHBondContact O-CB 3.45Å; D528-N532 PolarHBondContact O-N 3.22Å; D528-N532 PolarHBondContact O-ND2 3.32Å; K529-N532 PolarHBondContact O-N 2.91Å; N532-I534 PolarHBondContact O-N 3.41Å; N532-V535 PolarHBondContact O-N 3.46Å; N532-I536 WeakPolarHBondContact O-CB 3.38Å; N532-I536 VanDerWaalsContact O-CG1 3.28Å; N532-I536 WeakPolarHBondContact O-CG1 3.49Å; N532-I536 PolarHBondContact O-N 3.22Å
533G82.2Confident88.3Confident32 Ų3244.9 Ų44.933%0.3323%0.232SC..Hα-helixtrans-59.7-46.1177.300000112.8K529 L530 A531 Q537K529-G533 PolarHBondContact O-N 3.15Å; L530-G533 PolarHBondContact O-N 3.29Å; A531-G533 VanDerWaalsContact C-N 3.34Å; A531-G533 PolarHBondContact O-N 3.39Å; G533-Q537 WeakPolarHBondContact O-CB 3.08Å; G533-Q537 PolarHBondContact O-N 3.47Å
534I87.6Confident87.3Confident91 Ų9147.9 Ų47.947%0.46725%0.252SS..Hα-helixtrans-65.7-47.4178.6-66.9168000111.3L530 A531 N532 Q537 I538L530-I534 HydrophobicContact CD1-CD1 4.09Å; L530-I534 HydrophobicContact CG-CD1 4.05Å; L530-I534 WeakPolarHBondContact O-CG1 3.34Å; L530-I534 PolarHBondContact O-N 3.18Å; L530-I534 VanDerWaalsContact O-N 3.11Å; A531-I534 PolarHBondContact O-N 3.09Å; N532-I534 PolarHBondContact O-N 3.41Å; I534-Q537 PolarHBondContact O-N 2.93Å; I534-I538 HydrophobicContact CG2-CD1 3.79Å; I534-I538 HydrophobicContact CG2-CG1 4.48Å; I534-I538 WeakPolarHBondContact O-CG1 3.26Å; I534-I538 PolarHBondContact O-N 3.1Å
535V91.3Very high86.5Confident25 Ų2555 Ų5515%0.15229%0.285CS..Hα-helixtrans-63.7-46.8-176.5165.60000111.6L403 V407 A531 N532 Q537 I538 I539 F563L403-V535 HydrophobicContact CD1-CG2 4.39Å; L403-V535 HydrophobicContact CD2-CB 3.88Å; L403-V535 HydrophobicContact CD2-CG1 4.21Å; L403-V535 HydrophobicContact CD2-CG2 3.7Å; V407-V535 HydrophobicContact CG2-CG1 3.95Å; A531-V535 WeakPolarHBondContact O-CB 3.32Å; A531-V535 WeakPolarHBondContact O-CG2 3.15Å; A531-V535 PolarHBondContact O-N 2.94Å; N532-V535 PolarHBondContact O-N 3.46Å; V535-Q537 VanDerWaalsContact C-N 3.28Å; V535-Q537 PolarHBondContact O-N 3.31Å; V535-I538 PolarHBondContact O-N 2.78Å; V535-I539 HydrophobicContact CG1-CD1 3.8Å; V535-I539 HydrophobicContact CG1-CG1 4.48Å; V535-I539 WeakPolarHBondContact O-CG1 3.4Å; V535-I539 PolarHBondContact O-N 3.39Å; V535-F563 HydrophobicContact CG1-CE2 4.04Å; V535-F563 HydrophobicContact CG1-CZ 3.58Å; V535-F563 HydrophobicContact CG2-CE1 4.5Å; V535-F563 HydrophobicContact CG2-CZ 4.17Å
536I84.7Confident85.8Confident63 Ų6358.5 Ų58.532%0.32331%0.309SS..Hα-helixtrans-59.7-42.9177-69.7170.5000110.2Y411 N532 I538 I539 E540Y411-I536 HydrophobicContact CE2-CG1 4.4Å; N532-I536 WeakPolarHBondContact O-CB 3.38Å; N532-I536 VanDerWaalsContact O-CG1 3.28Å; N532-I536 WeakPolarHBondContact O-CG1 3.49Å; N532-I536 PolarHBondContact O-N 3.22Å; I536-I538 VanDerWaalsContact C-N 3.34Å; I536-I538 PolarHBondContact O-N 3.29Å; I536-I539 PolarHBondContact O-N 2.76Å; I536-E540 PolarHBondContact O-N 2.69Å
537Q83.4Confident85Confident102 Ų10258.9 Ų58.948%0.47732%0.318SS..Hα-helixtrans-61.9-40.9178-175.359.378.200112.4G533 I534 V535 E540 L541G533-Q537 WeakPolarHBondContact O-CB 3.08Å; G533-Q537 PolarHBondContact O-N 3.47Å; I534-Q537 PolarHBondContact O-N 2.93Å; V535-Q537 VanDerWaalsContact C-N 3.28Å; V535-Q537 PolarHBondContact O-N 3.31Å; Q537-E540 PolarHBondContact O-N 2.95Å; Q537-L541 HydrophobicContact CG-CD1 4.12Å; Q537-L541 VanDerWaalsContact O-CG 3.26Å; Q537-L541 WeakPolarHBondContact O-CG 3.3Å; Q537-L541 PolarHBondContact O-N 2.89Å
538I88.3Confident84.7Confident87 Ų8760.5 Ų60.545%0.44633%0.33SS..Hα-helixtrans-64.5-44.2176.4-69.5169.1000110.7I534 V535 I536 E540 L541 L542I534-I538 HydrophobicContact CG2-CD1 3.79Å; I534-I538 HydrophobicContact CG2-CG1 4.48Å; I534-I538 WeakPolarHBondContact O-CG1 3.26Å; I534-I538 PolarHBondContact O-N 3.1Å; V535-I538 PolarHBondContact O-N 2.78Å; I536-I538 VanDerWaalsContact C-N 3.34Å; I536-I538 PolarHBondContact O-N 3.29Å; I538-E540 VanDerWaalsContact C-N 3.31Å; I538-E540 PolarHBondContact O-N 3.36Å; I538-L541 PolarHBondContact O-N 3.36Å; I538-L542 HydrophobicContact CG2-CD1 3.77Å; I538-L542 HydrophobicContact CG2-CG 4.26Å; I538-L542 WeakPolarHBondContact O-CB 3.26Å; I538-L542 WeakPolarHBondContact O-CG 3.34Å; I538-L542 PolarHBondContact O-N 3.19Å
539I89Confident84.3Confident17 Ų1762.8 Ų62.89%0.08734%0.342CS..Hα-helixtrans-59.6-42.3177.9-66.9165000110.8V407 Y411 V535 I536 W543 Y551 V555V407-I539 HydrophobicContact CG1-CD1 3.96Å; Y411-I539 HydrophobicContact CD2-CD1 4.34Å; Y411-I539 HydrophobicContact CE1-CG2 3.9Å; Y411-I539 HydrophobicContact CE2-CB 4.35Å; Y411-I539 HydrophobicContact CE2-CD1 3.72Å; Y411-I539 HydrophobicContact CE2-CG2 3.97Å; Y411-I539 WeakPolarHBondContact OH-CG2 3.29Å; V535-I539 HydrophobicContact CG1-CD1 3.8Å; V535-I539 HydrophobicContact CG1-CG1 4.48Å; V535-I539 WeakPolarHBondContact O-CG1 3.4Å; V535-I539 PolarHBondContact O-N 3.39Å; I536-I539 PolarHBondContact O-N 2.76Å; I539-W543 PolarHBondContact O-N 3.11Å; I539-W543 VanDerWaalsContact O-N 3.17Å; I539-Y551 HydrophobicContact CG2-CE1 4.01Å; I539-Y551 PolarHBondContact O-OH 3.22Å; I539-V555 HydrophobicContact CD1-CG1 3.94Å; I539-V555 HydrophobicContact CG2-CG1 4.24Å; I539-V555 HydrophobicContact CG2-CG2 3.82Å
540E83.9Confident84.2Confident58 Ų5865 Ų6527%0.27136%0.357SS..Hα-helixtrans-73.1-32.5178.3-66.9-52.613200113.7Y411 I536 Q537 I538 N544Y411-E540 WeakPolarHBondContact CE1-OE1 3.43Å; Y411-E540 VanDerWaalsContact CZ-OE1 3.31Å; Y411-E540 PolarHBondContact OH-OE1 3.41Å; I536-E540 PolarHBondContact O-N 2.69Å; Q537-E540 PolarHBondContact O-N 2.95Å; I538-E540 VanDerWaalsContact C-N 3.31Å; I538-E540 PolarHBondContact O-N 3.36Å; E540-N544 PolarHBondContact O-N 3.37Å; E540-N544 PolarHBondContact O-ND2 3.12Å
541L83.6Confident84.3Confident91 Ų9162.1 Ų62.148%0.47634%0.34SS..Hα-helixtrans-67.4-45.3175.7-72.8171.2000111.3Q537 I538 W543 N544 E545Q537-L541 HydrophobicContact CG-CD1 4.12Å; Q537-L541 VanDerWaalsContact O-CG 3.26Å; Q537-L541 WeakPolarHBondContact O-CG 3.3Å; Q537-L541 PolarHBondContact O-N 2.89Å; I538-L541 PolarHBondContact O-N 3.36Å; L541-W543 VanDerWaalsContact C-N 3.28Å; L541-W543 PolarHBondContact O-N 3.06Å; L541-N544 PolarHBondContact O-N 3Å; L541-E545 PolarHBondContact O-N 3.26Å
542L87.4Confident84.3Confident78 Ų7862.1 Ų62.141%0.40834%0.337SS..Hα-helixtrans-66.2-30.1178.9-70.7175.5000112.4I538 E545 C546 Y551I538-L542 HydrophobicContact CG2-CD1 3.77Å; I538-L542 HydrophobicContact CG2-CG 4.26Å; I538-L542 WeakPolarHBondContact O-CB 3.26Å; I538-L542 WeakPolarHBondContact O-CG 3.34Å; I538-L542 PolarHBondContact O-N 3.19Å; L542-E545 PolarHBondContact O-N 2.97Å; L542-C546 WeakPolarHBondContact O-CB 3.39Å; L542-C546 PolarHBondContact O-N 3.43Å; L542-Y551 HydrophobicContact CB-CE2 4.26Å; L542-Y551 VanDerWaalsContact CB-OH 3.25Å; L542-Y551 WeakPolarHBondContact CB-OH 3.14Å
543W81.6Confident84.7Confident43 Ų4363 Ų6316%0.16334%0.341CS..Hα-helixtrans-60.8-44.1173167.9-104.5000112.5H418 I539 L541 E545 C546 S547 S548 Y551 Y552H418-W543 AromaticContact CD2-CH2 3.83Å; H418-W543 AromaticContact CE1-CH2 3.55Å; H418-W543 AromaticContact CE1-CZ2 3.84Å; H418-W543 AromaticContact NE2-CH2 3.16Å; H418-W543 WeakPolarHBondContact NE2-CH2 3.04Å; H418-W543 AromaticContact NE2-CZ2 3.92Å; I539-W543 PolarHBondContact O-N 3.11Å; I539-W543 VanDerWaalsContact O-N 3.17Å; L541-W543 VanDerWaalsContact C-N 3.28Å; L541-W543 PolarHBondContact O-N 3.06Å; W543-E545 PolarHBondContact O-N 3.29Å; W543-C546 CarbonylContact O-C 3.5Å; W543-C546 PolarHBondContact O-N 3.36Å; W543-S547 PolarHBondContact O-N 2.85Å; W543-S547 PolarHBondContact O-OG 3.29Å; W543-S548 WeakPolarHBondContact CZ3-O 3.34Å; W543-Y551 HydrophobicContact CB-CD1 4.2Å; W543-Y551 HydrophobicContact CB-CE1 3.69Å; W543-Y551 HydrophobicContact CD2-CD1 4.19Å; W543-Y551 AromaticContact CE3-CD1 3.31Å; W543-Y551 HydrophobicContact CE3-CD1 3.31Å; W543-Y551 HydrophobicContact CE3-CD2 4.31Å; W543-Y551 HydrophobicContact CE3-CE1 4.03Å; W543-Y551 AromaticContact CE3-CG 3.48Å; W543-Y551 HydrophobicContact CE3-CG 3.48Å; W543-Y551 VanDerWaalsContact CE3-CG 3.48Å; W543-Y551 HydrophobicContact CG-CE1 4.48Å; W543-Y551 HydrophobicContact CZ3-CD1 4.04Å; W543-Y551 AromaticContact CZ3-CG 3.96Å; W543-Y551 HydrophobicContact CZ3-CG 3.96Å; W543-Y551 PolarHBondContact N-OH 3.27Å; W543-Y552 AromaticContact CD2-CE2 3.91Å; W543-Y552 HydrophobicContact CD2-CE2 3.91Å; W543-Y552 AromaticContact CD2-CZ 3.94Å; W543-Y552 HydrophobicContact CE3-CD2 4.38Å; W543-Y552 AromaticContact CE3-CE2 3.77Å; W543-Y552 HydrophobicContact CE3-CE2 3.77Å; W543-Y552 HydrophobicContact CH2-CE2 4.09Å; W543-Y552 HydrophobicContact CZ2-CE2 4.21Å; W543-Y552 HydrophobicContact CZ3-CD2 4.22Å; W543-Y552 AromaticContact CZ3-CE2 3.85Å; W543-Y552 HydrophobicContact CZ3-CE2 3.85Å
544N73Confident85.3Confident117 Ų11764.4 Ų64.463%0.62634%0.341SS*.Hα-helixtrans-65.9-26.7-179.8-70.1-33.6000112.5E540 L541E540-N544 PolarHBondContact O-N 3.37Å; E540-N544 PolarHBondContact O-ND2 3.12Å; L541-N544 PolarHBondContact O-N 3Å
545E77.9Confident85.6Confident153 Ų15360.6 Ų60.672%0.71532%0.322SS*.Hα-helixtrans-87.7-36.8176-64.4-177.317400112.3L541 L542 W543L541-E545 PolarHBondContact O-N 3.26Å; L542-E545 PolarHBondContact O-N 2.97Å; W543-E545 PolarHBondContact O-N 3.29Å
546C75.2Confident85.8Confident75 Ų7559.4 Ų59.451%0.50732%0.315SS..SBendtrans-123.664.2-171.8-66.20000111.9L542 W543 S548L542-C546 WeakPolarHBondContact O-CB 3.39Å; L542-C546 PolarHBondContact O-N 3.43Å; W543-C546 CarbonylContact O-C 3.5Å; W543-C546 PolarHBondContact O-N 3.36Å; C546-S548 PolarHBondContact O-N 3.09Å
547S77.6Confident86.4Confident62 Ų6256.7 Ų56.743%0.43430%0.302SS..  trans-74.990.6-179.3-51.60000112.2W543W543-S547 PolarHBondContact O-N 2.85Å; W543-S547 PolarHBondContact O-OG 3.29Å
548S84.6Confident87Confident56 Ų5658.6 Ų58.639%0.39231%0.305SS..  trans-117.3145.3172173.90000111.1W543 C546 T550 Y551W543-S548 WeakPolarHBondContact CZ3-O 3.34Å; C546-S548 PolarHBondContact O-N 3.09Å; S548-T550 PolarHBondContact O-N 3.12Å; S548-T550 VanDerWaalsContact O-N 3.09Å; S548-T550 PolarHBondContact OG-N 2.87Å; S548-T550 PolarHBondContact OG-OG1 3.06Å; S548-T550 VanDerWaalsContact OG-OG1 3.07Å; S548-Y551 WeakPolarHBondContact O-CB 3.33Å; S548-Y551 PolarHBondContact O-N 3.43Å
549L82.9Confident87.4Confident48 Ų4855.7 Ų55.725%0.25130%0.296SS..THydrogen-bonded Turntrans-55.7-30.9175.3-16769.4000112.4V294 H418 S419 Y551V294-L549 HydrophobicContact CG2-CD2 4.32Å; H418-L549 WeakPolarHBondContact O-CD1 3.45Å; S419-L549 VanDerWaalsContact CA-O 3.28Å; S419-L549 WeakPolarHBondContact CA-O 3.49Å; S419-L549 WeakPolarHBondContact CB-O 3.14Å; S419-L549 PolarHBondContact OG-O 3.3Å; L549-Y551 VanDerWaalsContact C-N 3.31Å; L549-Y551 PolarHBondContact O-N 2.65Å
550T86.9Confident87.8Confident60 Ų6054.9 Ų54.937%0.36829%0.292SS..THydrogen-bonded Turntrans-862.2-179.764.30000113.6S548 Q553 N554S548-T550 PolarHBondContact O-N 3.12Å; S548-T550 VanDerWaalsContact O-N 3.09Å; S548-T550 PolarHBondContact OG-N 2.87Å; S548-T550 PolarHBondContact OG-OG1 3.06Å; S548-T550 VanDerWaalsContact OG-OG1 3.07Å; T550-Q553 WeakPolarHBondContact O-CB 3.29Å; T550-Q553 PolarHBondContact O-N 3.35Å; T550-N554 VanDerWaalsContact O-CG 3.24Å; T550-N554 PolarHBondContact O-N 2.65Å
551Y91.4Very high88.5Confident26 Ų2653 Ų5310%0.10229%0.289CS..Hα-helixtrans-60.7-54.5-174.1179.9-97000112.6I539 L542 W543 S548 L549 Q553 N554 V555I539-Y551 HydrophobicContact CG2-CE1 4.01Å; I539-Y551 PolarHBondContact O-OH 3.22Å; L542-Y551 HydrophobicContact CB-CE2 4.26Å; L542-Y551 VanDerWaalsContact CB-OH 3.25Å; L542-Y551 WeakPolarHBondContact CB-OH 3.14Å; W543-Y551 HydrophobicContact CB-CD1 4.2Å; W543-Y551 HydrophobicContact CB-CE1 3.69Å; W543-Y551 HydrophobicContact CD2-CD1 4.19Å; W543-Y551 AromaticContact CE3-CD1 3.31Å; W543-Y551 HydrophobicContact CE3-CD1 3.31Å; W543-Y551 HydrophobicContact CE3-CD2 4.31Å; W543-Y551 HydrophobicContact CE3-CE1 4.03Å; W543-Y551 AromaticContact CE3-CG 3.48Å; W543-Y551 HydrophobicContact CE3-CG 3.48Å; W543-Y551 VanDerWaalsContact CE3-CG 3.48Å; W543-Y551 HydrophobicContact CG-CE1 4.48Å; W543-Y551 HydrophobicContact CZ3-CD1 4.04Å; W543-Y551 AromaticContact CZ3-CG 3.96Å; W543-Y551 HydrophobicContact CZ3-CG 3.96Å; W543-Y551 PolarHBondContact N-OH 3.27Å; S548-Y551 WeakPolarHBondContact O-CB 3.33Å; S548-Y551 PolarHBondContact O-N 3.43Å; L549-Y551 VanDerWaalsContact C-N 3.31Å; L549-Y551 PolarHBondContact O-N 2.65Å; Y551-Q553 VanDerWaalsContact C-N 3.27Å; Y551-Q553 PolarHBondContact O-N 3.14Å; Y551-N554 CarbonylContact O-C 3.6Å; Y551-N554 WeakPolarHBondContact O-CA 3.16Å; Y551-N554 WeakPolarHBondContact O-CB 3.37Å; Y551-N554 PolarHBondContact O-N 2.96Å; Y551-V555 HydrophobicContact CD1-CG2 4.13Å; Y551-V555 HydrophobicContact CE1-CG2 3.77Å; Y551-V555 WeakPolarHBondContact O-CG2 3.44Å; Y551-V555 PolarHBondContact O-N 3.15Å
552Y91.1Very high89.1Confident13 Ų1352.4 Ų52.45%0.05129%0.289CS..Hα-helixtrans-69.3-27.6-179.8-65.4-69.6000112.3Y411 I414 H418 W543 N554 V555 E556Y411-Y552 AromaticContact CD1-CD1 3.63Å; Y411-Y552 HydrophobicContact CD1-CD1 3.63Å; Y411-Y552 AromaticContact CD1-CE1 3.69Å; Y411-Y552 HydrophobicContact CD1-CE1 3.69Å; Y411-Y552 HydrophobicContact CE1-CD1 4.06Å; Y411-Y552 AromaticContact CE1-CE1 3.65Å; Y411-Y552 HydrophobicContact CE1-CE1 3.65Å; I414-Y552 HydrophobicContact CG2-CD1 3.83Å; I414-Y552 HydrophobicContact CG2-CD2 3.53Å; I414-Y552 HydrophobicContact CG2-CE1 3.83Å; I414-Y552 HydrophobicContact CG2-CE2 3.51Å; I414-Y552 HydrophobicContact CG2-CG 3.67Å; H418-Y552 HydrophobicContact CB-CD2 4.21Å; H418-Y552 AromaticContact CD2-CD2 3.95Å; W543-Y552 AromaticContact CD2-CE2 3.91Å; W543-Y552 HydrophobicContact CD2-CE2 3.91Å; W543-Y552 AromaticContact CD2-CZ 3.94Å; W543-Y552 HydrophobicContact CE3-CD2 4.38Å; W543-Y552 AromaticContact CE3-CE2 3.77Å; W543-Y552 HydrophobicContact CE3-CE2 3.77Å; W543-Y552 HydrophobicContact CH2-CE2 4.09Å; W543-Y552 HydrophobicContact CZ2-CE2 4.21Å; W543-Y552 HydrophobicContact CZ3-CD2 4.22Å; W543-Y552 AromaticContact CZ3-CE2 3.85Å; W543-Y552 HydrophobicContact CZ3-CE2 3.85Å; Y552-N554 VanDerWaalsContact C-N 3.32Å; Y552-V555 PolarHBondContact O-N 3.35Å; Y552-E556 PolarHBondContact O-N 2.94Å
553Q94.4Very high89.7Confident27 Ų2750.1 Ų50.113%0.12628%0.276CS..Hα-helixtrans-60.1-42.9166.7-174.8-178.610.400111.4Y415 S419 V472 T550 Y551 E556 S557Y415-Q553 HydrophobicContact CD2-CB 3.86Å; Y415-Q553 HydrophobicContact CD2-CG 4.4Å; Y415-Q553 HydrophobicContact CE2-CB 3.67Å; Y415-Q553 HydrophobicContact CE2-CG 3.73Å; S419-Q553 PolarHBondContact OG-N 3.01Å; V472-Q553 HydrophobicContact CG1-CG 3.77Å; V472-Q553 WeakPolarHBondContact CG1-O 3.35Å; V472-Q553 PolarHBondContact O-NE2 3.43Å; T550-Q553 WeakPolarHBondContact O-CB 3.29Å; T550-Q553 PolarHBondContact O-N 3.35Å; Y551-Q553 VanDerWaalsContact C-N 3.27Å; Y551-Q553 PolarHBondContact O-N 3.14Å; Q553-E556 PolarHBondContact O-N 2.86Å; Q553-S557 WeakPolarHBondContact O-CB 3.45Å; Q553-S557 PolarHBondContact O-N 3.32Å
554N94.9Very high90.5Very high61 Ų6148.4 Ų48.433%0.32627%0.27SS..Hα-helixtrans-68.9-32.6176.3-69-17.4000112.5T550 Y551 Y552 Y558 G559T550-N554 VanDerWaalsContact O-CG 3.24Å; T550-N554 PolarHBondContact O-N 2.65Å; Y551-N554 CarbonylContact O-C 3.6Å; Y551-N554 WeakPolarHBondContact O-CA 3.16Å; Y551-N554 WeakPolarHBondContact O-CB 3.37Å; Y551-N554 PolarHBondContact O-N 2.96Å; Y552-N554 VanDerWaalsContact C-N 3.32Å; N554-Y558 HydrophobicContact CB-CD2 3.95Å; N554-Y558 WeakPolarHBondContact O-CA 3.15Å; N554-Y558 PolarHBondContact O-N 3Å; N554-Y558 WeakPolarHBondContact OD1-CE2 3.41Å; N554-G559 PolarHBondContact O-N 3.07Å
555V94.7Very high91.7Very high11 Ų1148.2 Ų48.27%0.06727%0.269CS..Iπ-helixtrans-63.3-50.3172.3173.80000110.3V407 Y411 I539 Y551 Y552 S557 G559 I560V407-V555 HydrophobicContact CG1-CG1 4.26Å; Y411-V555 HydrophobicContact CD2-CG1 4.12Å; Y411-V555 HydrophobicContact CG-CG1 4.19Å; I539-V555 HydrophobicContact CD1-CG1 3.94Å; I539-V555 HydrophobicContact CG2-CG1 4.24Å; I539-V555 HydrophobicContact CG2-CG2 3.82Å; Y551-V555 HydrophobicContact CD1-CG2 4.13Å; Y551-V555 HydrophobicContact CE1-CG2 3.77Å; Y551-V555 WeakPolarHBondContact O-CG2 3.44Å; Y551-V555 PolarHBondContact O-N 3.15Å; Y552-V555 PolarHBondContact O-N 3.35Å; V555-S557 VanDerWaalsContact C-N 3.28Å; V555-S557 PolarHBondContact O-N 2.93Å; V555-G559 CarbonylContact O-C 3.41Å; V555-G559 WeakPolarHBondContact O-CA 3.41Å; V555-G559 PolarHBondContact O-N 2.77Å; V555-I560 PolarHBondContact O-N 3.14Å
556E95.1Very high92.6Very high0 Ų042.7 Ų42.70%025%0.246CC..Iπ-helixtrans-67.5-28.4178.6-75.3-62.7129.900113.1S408 Y411 L412 Y415 F468 V472 Y552 Q553 I560S408-E556 WeakPolarHBondContact CA-OE1 3.5Å; Y411-E556 VanDerWaalsContact CB-OE1 3.27Å; Y411-E556 WeakPolarHBondContact CB-OE1 3.06Å; L412-E556 PolarHBondContact N-OE1 2.89Å; Y415-E556 HydrophobicContact CG-CG 4.25Å; F468-E556 WeakPolarHBondContact CE1-OE2 3.38Å; F468-E556 VanDerWaalsContact CZ-OE2 3.23Å; F468-E556 WeakPolarHBondContact CZ-OE2 3.46Å; V472-E556 HydrophobicContact CG1-CB 3.9Å; V472-E556 HydrophobicContact CG2-CB 4.39Å; Y552-E556 PolarHBondContact O-N 2.94Å; Q553-E556 PolarHBondContact O-N 2.86Å; E556-I560 HydrophobicContact CB-CD1 4.44Å; E556-I560 WeakPolarHBondContact O-CD1 3.36Å; E556-I560 VanDerWaalsContact OE2-CD1 3.28Å; E556-I560 WeakPolarHBondContact OE2-CD1 3.36Å
557S96.8Very high93.7Very high6 Ų639.1 Ų39.14%0.04222%0.222CC..Iπ-helixtrans-88.5-79.8176.8178.40000112.4C469 N473 Q553 V555 G561C469-S557 WeakPolarHBondContact O-CB 3.36Å; C469-S557 PolarHBondContact O-OG 2.91Å; C469-S557 PolarHBondContact SG-O 3Å; N473-S557 PolarHBondContact ND2-OG 2.89Å; Q553-S557 WeakPolarHBondContact O-CB 3.45Å; Q553-S557 PolarHBondContact O-N 3.32Å; V555-S557 VanDerWaalsContact C-N 3.28Å; V555-S557 PolarHBondContact O-N 2.93Å; S557-G561 WeakPolarHBondContact O-CA 3.21Å; S557-G561 PolarHBondContact O-N 3.08Å
558Y96.6Very high94.7Very high142 Ų14241.1 Ų41.156%0.55722%0.223SC*.Iπ-helixtrans-75.1-34-171.6-56.8-72.9000112.4N554 G561 T562N554-Y558 HydrophobicContact CB-CD2 3.95Å; N554-Y558 WeakPolarHBondContact O-CA 3.15Å; N554-Y558 PolarHBondContact O-N 3Å; N554-Y558 WeakPolarHBondContact OD1-CE2 3.41Å; Y558-G561 PolarHBondContact O-N 3.38Å; Y558-T562 WeakPolarHBondContact O-CB 3.27Å; Y558-T562 PolarHBondContact O-N 2.93Å; Y558-T562 PolarHBondContact O-OG1 3.41Å
559G96.3Very high95.3Very high25 Ų2542.9 Ų42.926%0.25823%0.227SC..Iπ-helixtrans-62.3-56.8176.500000111.3N554 V555 G561 T562 F563N554-G559 PolarHBondContact O-N 3.07Å; V555-G559 CarbonylContact O-C 3.41Å; V555-G559 WeakPolarHBondContact O-CA 3.41Å; V555-G559 PolarHBondContact O-N 2.77Å; G559-G561 VanDerWaalsContact C-N 3.34Å; G559-G561 PolarHBondContact O-N 2.93Å; G559-T562 WeakPolarHBondContact O-CB 3.47Å; G559-T562 PolarHBondContact O-N 3.33Å; G559-F563 WeakPolarHBondContact O-CD2 3.47Å; G559-F563 PolarHBondContact O-N 3.48Å
560I98Very high96Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-62.3-41.9174.7-62.9173.9000111.2I404 S408 I465 F468 C469 V555 E556 T562 F563 V564I404-I560 HydrophobicContact CG1-CG2 4.44Å; I404-I560 HydrophobicContact CG2-CG2 4.05Å; S408-I560 VanDerWaalsContact CB-CD1 3.47Å; I465-I560 HydrophobicContact CG2-CG2 3.84Å; F468-I560 HydrophobicContact CE1-CD1 4.01Å; C469-I560 VanDerWaalsContact SG-CG2 3.6Å; V555-I560 PolarHBondContact O-N 3.14Å; E556-I560 HydrophobicContact CB-CD1 4.44Å; E556-I560 WeakPolarHBondContact O-CD1 3.36Å; E556-I560 VanDerWaalsContact OE2-CD1 3.28Å; E556-I560 WeakPolarHBondContact OE2-CD1 3.36Å; I560-T562 PolarHBondContact O-N 3.31Å; I560-F563 WeakPolarHBondContact O-CB 3.27Å; I560-F563 PolarHBondContact O-N 2.68Å; I560-V564 HydrophobicContact CG2-CG2 4.28Å; I560-V564 WeakPolarHBondContact O-CG2 3.26Å; I560-V564 PolarHBondContact O-N 3.21Å
561G97.9Very high96.5Very high19 Ų1940.5 Ų40.520%0.19621%0.21CC..Hα-helixtrans-56.5-36.717700000113.2S557 Y558 G559 V564 L565S557-G561 WeakPolarHBondContact O-CA 3.21Å; S557-G561 PolarHBondContact O-N 3.08Å; Y558-G561 PolarHBondContact O-N 3.38Å; G559-G561 VanDerWaalsContact C-N 3.34Å; G559-G561 PolarHBondContact O-N 2.93Å; G561-V564 WeakPolarHBondContact O-CB 3.41Å; G561-V564 PolarHBondContact O-N 3.35Å; G561-L565 WeakPolarHBondContact O-CG 3.27Å; G561-L565 PolarHBondContact O-N 3.02Å
562T97.9Very high96.8Very high78 Ų7842.2 Ų42.248%0.47923%0.226SC..Hα-helixtrans-64.8-44.2174-58.90000111.2Y558 G559 I560 V564 L565 C566Y558-T562 WeakPolarHBondContact O-CB 3.27Å; Y558-T562 PolarHBondContact O-N 2.93Å; Y558-T562 PolarHBondContact O-OG1 3.41Å; G559-T562 WeakPolarHBondContact O-CB 3.47Å; G559-T562 PolarHBondContact O-N 3.33Å; I560-T562 PolarHBondContact O-N 3.31Å; T562-V564 VanDerWaalsContact C-N 3.31Å; T562-V564 PolarHBondContact O-N 3.22Å; T562-L565 PolarHBondContact O-N 2.78Å; T562-C566 PolarHBondContact O-N 3.4Å; T562-C566 PolarHBondContact O-SG 3.4Å; T562-C566 VanDerWaalsContact O-SG 3.38Å
563F98.2Very high97.1Very high30 Ų3044.6 Ų44.613%0.13224%0.239CC..Hα-helixtrans-65.3-35.2176-55.9-36.9000112.3F400 L403 I404 V407 V535 G559 I560 C566 Q567F400-F563 HydrophobicContact CD1-CB 4.3Å; F400-F563 HydrophobicContact CD1-CD1 4.17Å; F400-F563 HydrophobicContact CE1-CD1 4.21Å; L403-F563 HydrophobicContact CB-CD2 4.16Å; L403-F563 HydrophobicContact CB-CE2 4.48Å; L403-F563 HydrophobicContact CB-CG 4.3Å; L403-F563 HydrophobicContact CD1-CD1 4.32Å; L403-F563 HydrophobicContact CD1-CE1 4.34Å; I404-F563 HydrophobicContact CD1-CB 4.13Å; I404-F563 HydrophobicContact CG1-CB 3.52Å; V407-F563 HydrophobicContact CG1-CE2 4.44Å; V407-F563 HydrophobicContact CG2-CE2 4.19Å; V535-F563 HydrophobicContact CG1-CE2 4.04Å; V535-F563 HydrophobicContact CG1-CZ 3.58Å; V535-F563 HydrophobicContact CG2-CE1 4.5Å; V535-F563 HydrophobicContact CG2-CZ 4.17Å; G559-F563 WeakPolarHBondContact O-CD2 3.47Å; G559-F563 PolarHBondContact O-N 3.48Å; I560-F563 WeakPolarHBondContact O-CB 3.27Å; I560-F563 PolarHBondContact O-N 2.68Å; F563-C566 PolarHBondContact O-N 3.47Å; F563-Q567 WeakPolarHBondContact O-CB 2.96Å; F563-Q567 PolarHBondContact O-N 3.18Å
564V98.5Very high97.2Very high7 Ų743.7 Ų43.74%0.04223%0.234CC..Hα-helixtrans-61.1-46173.6165.10000111.2I404 L462 I465 T466 I560 G561 T562 Q567 F568I404-V564 HydrophobicContact CD1-CG2 3.9Å; I404-V564 HydrophobicContact CG1-CG2 4.31Å; L462-V564 HydrophobicContact CB-CG1 4.43Å; L462-V564 HydrophobicContact CD2-CB 4.37Å; L462-V564 HydrophobicContact CD2-CG1 3.99Å; L462-V564 HydrophobicContact CD2-CG2 4.23Å; I465-V564 HydrophobicContact CB-CG2 4.12Å; I465-V564 HydrophobicContact CG2-CG2 3.54Å; T466-V564 WeakPolarHBondContact OG1-CG1 3.29Å; I560-V564 HydrophobicContact CG2-CG2 4.28Å; I560-V564 WeakPolarHBondContact O-CG2 3.26Å; I560-V564 PolarHBondContact O-N 3.21Å; G561-V564 WeakPolarHBondContact O-CB 3.41Å; G561-V564 PolarHBondContact O-N 3.35Å; T562-V564 VanDerWaalsContact C-N 3.31Å; T562-V564 PolarHBondContact O-N 3.22Å; V564-Q567 PolarHBondContact O-N 3.12Å; V564-F568 WeakPolarHBondContact O-CB 3.01Å; V564-F568 PolarHBondContact O-N 3.39Å
565L98.1Very high97.2Very high114 Ų11445.8 Ų45.860%0.59724%0.24SC*.Hα-helixtrans-61.8-46.4175.7-69.9172.6000111.5G561 T562 Q567 F568 I569G561-L565 WeakPolarHBondContact O-CG 3.27Å; G561-L565 PolarHBondContact O-N 3.02Å; T562-L565 PolarHBondContact O-N 2.78Å; L565-Q567 PolarHBondContact O-N 2.99Å; L565-F568 WeakPolarHBondContact O-CB 3.28Å; L565-F568 PolarHBondContact O-N 2.81Å; L565-I569 WeakPolarHBondContact O-CG1 3.27Å; L565-I569 PolarHBondContact O-N 3.39Å
566C98.1Very high97.2Very high36 Ų3653.1 Ų53.124%0.24327%0.267CS..Hα-helixtrans-59.3-46.5175.4-70.40000111.7F400 T562 F563 F568 I569 F570F400-C566 HydrophobicContact CD1-CB 3.69Å; F400-C566 HydrophobicContact CD2-CB 4.01Å; F400-C566 HydrophobicContact CE1-CB 3.49Å; F400-C566 VanDerWaalsContact CE1-CB 3.49Å; F400-C566 HydrophobicContact CE2-CB 3.85Å; F400-C566 HydrophobicContact CG-CB 3.95Å; F400-C566 HydrophobicContact CZ-CB 3.59Å; T562-C566 PolarHBondContact O-N 3.4Å; T562-C566 PolarHBondContact O-SG 3.4Å; T562-C566 VanDerWaalsContact O-SG 3.38Å; F563-C566 PolarHBondContact O-N 3.47Å; C566-F568 VanDerWaalsContact C-N 3.3Å; C566-F568 PolarHBondContact O-N 2.67Å; C566-I569 PolarHBondContact O-N 3.23Å; C566-F570 WeakPolarHBondContact O-CD2 3.12Å; C566-F570 PolarHBondContact O-N 3.02Å
567Q97.9Very high97.1Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-60.7-41.2177.1-169.9-168.5-2400111.2F397 F400 V401 I404 S458 L462 F563 V564 L565 F570 L571F397-Q567 HydrophobicContact CD2-CG 3.87Å; F397-Q567 HydrophobicContact CE2-CG 3.76Å; F400-Q567 HydrophobicContact CB-CB 3.89Å; F400-Q567 HydrophobicContact CB-CG 4.35Å; V401-Q567 VanDerWaalsContact CG2-CD 3.46Å; V401-Q567 HydrophobicContact CG2-CG 4.13Å; I404-Q567 HydrophobicContact CD1-CB 4.18Å; S458-Q567 PolarHBondContact OG-NE2 3.42Å; L462-Q567 HydrophobicContact CD1-CB 4.41Å; L462-Q567 HydrophobicContact CD1-CG 4.28Å; L462-Q567 HydrophobicContact CD2-CB 4.23Å; L462-Q567 VanDerWaalsContact CD2-CD 3.45Å; L462-Q567 HydrophobicContact CD2-CG 4.25Å; F563-Q567 WeakPolarHBondContact O-CB 2.96Å; F563-Q567 PolarHBondContact O-N 3.18Å; V564-Q567 PolarHBondContact O-N 3.12Å; L565-Q567 PolarHBondContact O-N 2.99Å; Q567-F570 PolarHBondContact O-N 3.36Å; Q567-L571 VanDerWaalsContact O-CB 3.32Å; Q567-L571 WeakPolarHBondContact O-CB 3.2Å; Q567-L571 PolarHBondContact O-N 2.92Å
568F98.1Very high96.8Very high104 Ų10458.1 Ų58.146%0.45629%0.288SS..Hα-helixtrans-62.9-42.9177.1-175.4-103.7000112L462 V564 L565 C566 F570 L571 C572L462-F568 HydrophobicContact CD1-CB 3.96Å; L462-F568 HydrophobicContact CD1-CD2 4.17Å; V564-F568 WeakPolarHBondContact O-CB 3.01Å; V564-F568 PolarHBondContact O-N 3.39Å; L565-F568 WeakPolarHBondContact O-CB 3.28Å; L565-F568 PolarHBondContact O-N 2.81Å; C566-F568 VanDerWaalsContact C-N 3.3Å; C566-F568 PolarHBondContact O-N 2.67Å; F568-F570 PolarHBondContact O-N 3.06Å; F568-L571 WeakPolarHBondContact O-CB 3.29Å; F568-L571 PolarHBondContact O-N 3.04Å; F568-C572 PolarHBondContact O-N 3.16Å; F568-C572 PolarHBondContact O-SG 3.28Å
569I98.1Very high96.5Very high94 Ų9455.7 Ų55.748%0.48229%0.285SS..Hα-helixtrans-59-49.4174.8-68164.6000110.3L565 C566 L571 C572 I573L565-I569 WeakPolarHBondContact O-CG1 3.27Å; L565-I569 PolarHBondContact O-N 3.39Å; C566-I569 PolarHBondContact O-N 3.23Å; I569-L571 VanDerWaalsContact C-N 3.29Å; I569-L571 PolarHBondContact O-N 2.75Å; I569-C572 WeakPolarHBondContact O-CB 3.35Å; I569-C572 PolarHBondContact O-N 3.44Å; I569-I573 HydrophobicContact CG2-CD1 3.79Å; I569-I573 HydrophobicContact CG2-CG1 4.47Å; I569-I573 WeakPolarHBondContact O-CG1 3.2Å; I569-I573 PolarHBondContact O-N 2.83Å
570F97.7Very high96.1Very high47 Ų4757 Ų5721%0.20629%0.288CS..Hα-helixtrans-65.2-31.4177.8-84.5-78.6000113I393 F396 F397 F400 C566 Q567 F568 I573 Y574I393-F570 HydrophobicContact CG2-CD1 4.41Å; F396-F570 HydrophobicContact CB-CD1 3.64Å; F396-F570 HydrophobicContact CB-CD2 4.28Å; F396-F570 HydrophobicContact CB-CE1 3.32Å; F396-F570 HydrophobicContact CB-CE2 4.02Å; F396-F570 HydrophobicContact CB-CG 4.12Å; F396-F570 HydrophobicContact CB-CZ 3.53Å; F396-F570 AromaticContact CD2-CE1 3.9Å; F396-F570 HydrophobicContact CD2-CE1 3.9Å; F396-F570 HydrophobicContact CD2-CZ 4.18Å; F396-F570 AromaticContact CG-CE1 3.86Å; F396-F570 HydrophobicContact CG-CE1 3.86Å; F396-F570 AromaticContact CG-CZ 3.88Å; F396-F570 HydrophobicContact CG-CZ 3.88Å; F397-F570 HydrophobicContact CB-CB 4.07Å; F400-F570 AromaticContact CD2-CD2 3.81Å; F400-F570 HydrophobicContact CD2-CD2 3.81Å; F400-F570 HydrophobicContact CD2-CE2 4.12Å; F400-F570 AromaticContact CE2-CD2 3.7Å; F400-F570 HydrophobicContact CE2-CD2 3.7Å; F400-F570 AromaticContact CE2-CE2 3.53Å; F400-F570 HydrophobicContact CE2-CE2 3.53Å; C566-F570 WeakPolarHBondContact O-CD2 3.12Å; C566-F570 PolarHBondContact O-N 3.02Å; Q567-F570 PolarHBondContact O-N 3.36Å; F568-F570 PolarHBondContact O-N 3.06Å; F570-I573 PolarHBondContact O-N 2.68Å; F570-Y574 WeakPolarHBondContact O-CB 3.3Å; F570-Y574 PolarHBondContact O-N 2.84Å
571L97.6Very high95.4Very high10 Ų1060.5 Ų60.55%0.05230%0.302CS..Hα-helixtrans-64-43.8172.7-179.263.8000111.6F397 E455 L462 Q567 F568 I569 Y574 K575F397-L571 HydrophobicContact CD2-CB 4.22Å; F397-L571 HydrophobicContact CE2-CB 3.96Å; F397-L571 HydrophobicContact CE2-CD1 3.81Å; F397-L571 HydrophobicContact CE2-CG 4.41Å; F397-L571 HydrophobicContact CZ-CD1 4.22Å; E455-L571 HydrophobicContact CB-CD1 4.02Å; E455-L571 HydrophobicContact CG-CD1 4.37Å; L462-L571 HydrophobicContact CD1-CD2 4.28Å; Q567-L571 VanDerWaalsContact O-CB 3.32Å; Q567-L571 WeakPolarHBondContact O-CB 3.2Å; Q567-L571 PolarHBondContact O-N 2.92Å; F568-L571 WeakPolarHBondContact O-CB 3.29Å; F568-L571 PolarHBondContact O-N 3.04Å; I569-L571 VanDerWaalsContact C-N 3.29Å; I569-L571 PolarHBondContact O-N 2.75Å; L571-Y574 PolarHBondContact O-N 2.92Å; L571-K575 WeakPolarHBondContact O-CB 3.39Å; L571-K575 PolarHBondContact O-N 3.23Å
572C97.4Very high94.6Very high63 Ų6362.1 Ų62.143%0.42631%0.31SS..Hα-helixtrans-63.7-47175.1-70.10000111.7F568 I569 Y574 K575 W576F568-C572 PolarHBondContact O-N 3.16Å; F568-C572 PolarHBondContact O-SG 3.28Å; I569-C572 WeakPolarHBondContact O-CB 3.35Å; I569-C572 PolarHBondContact O-N 3.44Å; C572-Y574 VanDerWaalsContact C-N 3.32Å; C572-Y574 PolarHBondContact O-N 3.42Å; C572-K575 PolarHBondContact O-N 2.76Å; C572-W576 WeakPolarHBondContact O-CB 3.11Å; C572-W576 PolarHBondContact O-N 2.66Å
573I97.2Very high93.7Very high63 Ų6361.5 Ų61.532%0.32331%0.309SS..Hα-helixtrans-61-43.4176.7-64.9168.3000110.4I393 I569 F570 W576 Q577I393-I573 HydrophobicContact CD1-CG2 3.85Å; I393-I573 HydrophobicContact CG1-CG2 3.99Å; I393-I573 HydrophobicContact CG2-CB 4.37Å; I393-I573 HydrophobicContact CG2-CG2 3.91Å; I569-I573 HydrophobicContact CG2-CD1 3.79Å; I569-I573 HydrophobicContact CG2-CG1 4.47Å; I569-I573 WeakPolarHBondContact O-CG1 3.2Å; I569-I573 PolarHBondContact O-N 2.83Å; F570-I573 PolarHBondContact O-N 2.68Å; I573-W576 PolarHBondContact O-N 3.26Å; I573-Q577 WeakPolarHBondContact O-CB 3.27Å; I573-Q577 PolarHBondContact O-N 3.21Å
574Y96.4Very high92.6Very high8 Ų864.4 Ų64.43%0.03133%0.326CS..Hα-helixtrans-60-49.7176.5177.8-91.6000111.5L390 I393 L394 E455 M505 F570 L571 C572 W576 Q577 K578L390-Y574 HydrophobicContact CD1-CD2 3.62Å; L390-Y574 HydrophobicContact CD1-CE2 3.45Å; L390-Y574 VanDerWaalsContact CD1-CE2 3.45Å; L390-Y574 HydrophobicContact CG-CE2 4.07Å; I393-Y574 HydrophobicContact CG2-CD2 4.29Å; L394-Y574 HydrophobicContact CB-CD2 4.21Å; L394-Y574 HydrophobicContact CB-CE2 4.11Å; L394-Y574 HydrophobicContact CD1-CD2 4.05Å; L394-Y574 HydrophobicContact CD1-CE2 3.77Å; L394-Y574 HydrophobicContact CD2-CE2 4.29Å; L394-Y574 HydrophobicContact CG-CE2 4.28Å; E455-Y574 HydrophobicContact CG-CD1 4.16Å; E455-Y574 HydrophobicContact CG-CE1 4.28Å; M505-Y574 HydrophobicContact CE-CD1 3.39Å; M505-Y574 HydrophobicContact CE-CD2 4.41Å; M505-Y574 HydrophobicContact CE-CE1 3.18Å; M505-Y574 HydrophobicContact CE-CE2 4.22Å; M505-Y574 HydrophobicContact CE-CG 4.03Å; F570-Y574 WeakPolarHBondContact O-CB 3.3Å; F570-Y574 PolarHBondContact O-N 2.84Å; L571-Y574 PolarHBondContact O-N 2.92Å; C572-Y574 VanDerWaalsContact C-N 3.32Å; C572-Y574 PolarHBondContact O-N 3.42Å; Y574-W576 VanDerWaalsContact C-N 3.29Å; Y574-W576 PolarHBondContact O-N 2.64Å; Y574-Q577 PolarHBondContact O-N 3.49Å; Y574-K578 HydrophobicContact CE1-CB 4.42Å; Y574-K578 HydrophobicContact CE1-CD 3.81Å; Y574-K578 WeakPolarHBondContact O-CB 3.15Å; Y574-K578 PolarHBondContact O-N 3.39Å
575K95Very high91.1Very high105 Ų10566.5 Ų66.546%0.45734%0.335SS..Hα-helixtrans-58.9-43.2178.8-174.3176.9179.5-179.80111.2E455 L571 C572 N579E455-K575 HydrophobicContact CB-CD 4.39Å; E455-K575 HydrophobicContact CG-CB 4.23Å; E455-K575 HydrophobicContact CG-CG 4.35Å; L571-K575 WeakPolarHBondContact O-CB 3.39Å; L571-K575 PolarHBondContact O-N 3.23Å; C572-K575 PolarHBondContact O-N 2.76Å; K575-N579 VanDerWaalsContact O-CG 3.28Å; K575-N579 PolarHBondContact O-N 3.2Å
576W94.3Very high89.2Confident165 Ų16565.7 Ų65.763%0.62533%0.331SS*.Hα-helixtrans-62.4-53.4175.8175.576.2000111.9C572 I573 Y574 K578 N579 V580C572-W576 WeakPolarHBondContact O-CB 3.11Å; C572-W576 PolarHBondContact O-N 2.66Å; I573-W576 PolarHBondContact O-N 3.26Å; Y574-W576 VanDerWaalsContact C-N 3.29Å; Y574-W576 PolarHBondContact O-N 2.64Å; W576-K578 VanDerWaalsContact C-N 3.3Å; W576-K578 PolarHBondContact O-N 2.68Å; W576-N579 PolarHBondContact O-N 3.06Å; W576-N579 VanDerWaalsContact O-N 3.12Å; W576-V580 HydrophobicContact CD2-CG2 4.44Å; W576-V580 HydrophobicContact CZ2-CG2 4.27Å; W576-V580 WeakPolarHBondContact O-CG2 3.26Å; W576-V580 PolarHBondContact O-N 3.29Å
577Q93.3Very high86.7Confident38 Ų3868.2 Ų68.218%0.17834%0.342CS..Hα-helixtrans-61.8-37.8-178.8-172.468.29.500112.3L390 I393 I573 Y574 V580 Y581L390-Q577 HydrophobicContact CD1-CB 4.4Å; L390-Q577 HydrophobicContact CD1-CG 4.21Å; I393-Q577 HydrophobicContact CD1-CB 3.82Å; I393-Q577 HydrophobicContact CD1-CG 3.72Å; I573-Q577 WeakPolarHBondContact O-CB 3.27Å; I573-Q577 PolarHBondContact O-N 3.21Å; Y574-Q577 PolarHBondContact O-N 3.49Å; Q577-V580 PolarHBondContact O-N 2.82Å; Q577-Y581 WeakPolarHBondContact O-CB 3.19Å; Q577-Y581 PolarHBondContact O-N 3.41Å
578K90.2Very high84.5Confident73 Ų7369.9 Ų69.932%0.31735%0.352SS..Hα-helixtrans-62.5-41.8175.8178176.8169.1179.80111.7E455 Y574 W576 Y581 S582E455-K578 WeakPolarHBondContact OE1-CD 3.36Å; E455-K578 IonicContact OE1-NZ 3.99Å; E455-K578 PolarHBondContact OE1-NZ 3.29Å; Y574-K578 HydrophobicContact CE1-CB 4.42Å; Y574-K578 HydrophobicContact CE1-CD 3.81Å; Y574-K578 WeakPolarHBondContact O-CB 3.15Å; Y574-K578 PolarHBondContact O-N 3.39Å; W576-K578 VanDerWaalsContact C-N 3.3Å; W576-K578 PolarHBondContact O-N 2.68Å; K578-Y581 PolarHBondContact O-N 3.47Å; K578-S582 WeakPolarHBondContact O-CB 3.46Å; K578-S582 PolarHBondContact O-N 2.84Å
579N90.8Very high81.9Confident91 Ų9171.5 Ų71.549%0.48736%0.361SS..Hα-helixtrans-66.3-40.6176.9-71.9-8.7000111.9K575 W576 Y581 S582 S583K575-N579 VanDerWaalsContact O-CG 3.28Å; K575-N579 PolarHBondContact O-N 3.2Å; W576-N579 PolarHBondContact O-N 3.06Å; W576-N579 VanDerWaalsContact O-N 3.12Å; N579-Y581 VanDerWaalsContact C-N 3.35Å; N579-S582 PolarHBondContact O-N 3.48Å; N579-S583 WeakPolarHBondContact O-CB 3.2Å; N579-S583 PolarHBondContact O-N 3.32Å; N579-S583 PolarHBondContact O-OG 3.03Å
580V88.5Confident79.1Confident53 Ų5374.4 Ų74.432%0.32137%0.372SS..Hα-helixtrans-60-47.1173.8174.30000110.4W576 Q577 S582 S583 N584W576-V580 HydrophobicContact CD2-CG2 4.44Å; W576-V580 HydrophobicContact CZ2-CG2 4.27Å; W576-V580 WeakPolarHBondContact O-CG2 3.26Å; W576-V580 PolarHBondContact O-N 3.29Å; Q577-V580 PolarHBondContact O-N 2.82Å; V580-S582 PolarHBondContact O-N 3.05Å; V580-S583 PolarHBondContact O-N 2.73Å; V580-N584 PolarHBondContact O-N 3.36Å; V580-N584 VanDerWaalsContact O-N 3.1Å
581Y82.6Confident76.3Confident72 Ų7279.4 Ų79.428%0.28240%0.396SS..Hα-helixtrans-61.3-45.4178.1-172.4-94.9000112.4Q577 K578 N579 S583 N584 E585Q577-Y581 WeakPolarHBondContact O-CB 3.19Å; Q577-Y581 PolarHBondContact O-N 3.41Å; K578-Y581 PolarHBondContact O-N 3.47Å; N579-Y581 VanDerWaalsContact C-N 3.35Å; Y581-S583 VanDerWaalsContact C-N 3.32Å; Y581-S583 PolarHBondContact O-N 3.02Å; Y581-N584 PolarHBondContact O-N 3.03Å; Y581-E585 HydrophobicContact CD1-CG 4.42Å; Y581-E585 HydrophobicContact CE1-CG 4.03Å; Y581-E585 WeakPolarHBondContact CE1-OE1 3.32Å; Y581-E585 PolarHBondContact O-N 2.92Å
582S80.6Confident73.5Confident54 Ų5485.6 Ų85.638%0.37843%0.434SS..Hα-helixtrans-64.4-35177.6-171.30000112.9K578 N579 V580 E585 N586K578-S582 WeakPolarHBondContact O-CB 3.46Å; K578-S582 PolarHBondContact O-N 2.84Å; N579-S582 PolarHBondContact O-N 3.48Å; V580-S582 PolarHBondContact O-N 3.05Å; S582-E585 PolarHBondContact O-N 3.3Å; S582-N586 PolarHBondContact O-N 3.33Å; S582-N586 VanDerWaalsContact O-N 3.13Å
583S78.9Confident72.3Confident64 Ų6486.7 Ų86.745%0.44843%0.434SS..Hα-helixtrans-67.5-40177.4-56.40000111N579 V580 Y581 N586 L587N579-S583 WeakPolarHBondContact O-CB 3.2Å; N579-S583 PolarHBondContact O-N 3.32Å; N579-S583 PolarHBondContact O-OG 3.03Å; V580-S583 PolarHBondContact O-N 2.73Å; Y581-S583 VanDerWaalsContact C-N 3.32Å; Y581-S583 PolarHBondContact O-N 3.02Å; S583-N586 PolarHBondContact O-N 3.13Å; S583-L587 WeakPolarHBondContact O-CG 3.42Å; S583-L587 PolarHBondContact O-N 3.16Å; S583-L587 VanDerWaalsContact O-N 3.09Å
584N75.1Confident71Confident92 Ų9287.9 Ų87.949%0.49244%0.44SS..Hα-helixtrans-67.3-38.3175.8-69.3-12.1000112.5V580 Y581 L587 V588V580-N584 PolarHBondContact O-N 3.36Å; V580-N584 VanDerWaalsContact O-N 3.1Å; Y581-N584 PolarHBondContact O-N 3.03Å; N584-L587 PolarHBondContact O-N 3.5Å; N584-V588 WeakPolarHBondContact O-CG2 3.33Å; N584-V588 PolarHBondContact O-N 3.49Å
585E66.6Low69.6Low51 Ų5192.4 Ų92.424%0.23846%0.463CS..Hα-helixtrans-63.1-42.3173.7-77.6-167.5153.500112K512 Y581 S582 L587 V588 H589K512-E585 IonicContact NZ-OE1 3.6Å; K512-E585 PolarHBondContact NZ-OE1 3.18Å; K512-E585 IonicContact NZ-OE2 3.51Å; K512-E585 PolarHBondContact NZ-OE2 3.11Å; Y581-E585 HydrophobicContact CD1-CG 4.42Å; Y581-E585 HydrophobicContact CE1-CG 4.03Å; Y581-E585 WeakPolarHBondContact CE1-OE1 3.32Å; Y581-E585 PolarHBondContact O-N 2.92Å; S582-E585 PolarHBondContact O-N 3.3Å; E585-L587 PolarHBondContact O-N 3.43Å; E585-V588 PolarHBondContact O-N 3.5Å; E585-H589 PolarHBondContact O-CD2 3.29Å; E585-H589 PolarHBondContact O-N 2.97Å; E585-H589 VanDerWaalsContact O-N 3.08Å
586N58.1Low68.1Low97 Ų9791.6 Ų91.652%0.51946%0.463SS..Hα-helixtrans-65.8-37.2178.6-71.9-15.4000112.6S582 S583 V588 H589 Q590S582-N586 PolarHBondContact O-N 3.33Å; S582-N586 VanDerWaalsContact O-N 3.13Å; S583-N586 PolarHBondContact O-N 3.13Å; N586-V588 VanDerWaalsContact C-N 3.34Å; N586-H589 PolarHBondContact O-N 3.47Å; N586-Q590 WeakPolarHBondContact O-CG 3.31Å; N586-Q590 PolarHBondContact O-N 3.28Å; N586-Q590 VanDerWaalsContact O-N 3.07Å
587L47.6Very low66.5Low89 Ų8987.1 Ų87.147%0.46645%0.453SS..Hα-helixtrans-62.7-40.3174.2-77.5162.5000111.7S583 N584 E585 Q590 H591S583-L587 WeakPolarHBondContact O-CG 3.42Å; S583-L587 PolarHBondContact O-N 3.16Å; S583-L587 VanDerWaalsContact O-N 3.09Å; N584-L587 PolarHBondContact O-N 3.5Å; E585-L587 PolarHBondContact O-N 3.43Å; L587-Q590 PolarHBondContact O-N 2.88Å; L587-H591 PolarHBondContact O-CD2 3.42Å; L587-H591 PolarHBondContact O-N 2.97Å
588V50.7Low64.7Low34 Ų3490.3 Ų90.321%0.20647%0.471CS..Hα-helixtrans-64.5-42.7175.8174.80000111.1H374 N584 E585 N586 Q590 H591 V592H374-V588 HydrophobicContact CB-CG2 3.83Å; N584-V588 WeakPolarHBondContact O-CG2 3.33Å; N584-V588 PolarHBondContact O-N 3.49Å; E585-V588 PolarHBondContact O-N 3.5Å; N586-V588 VanDerWaalsContact C-N 3.34Å; V588-Q590 VanDerWaalsContact C-N 3.33Å; V588-Q590 PolarHBondContact O-N 3.39Å; V588-H591 PolarHBondContact O-N 3.46Å; V588-V592 WeakPolarHBondContact O-CG2 3.4Å; V588-V592 PolarHBondContact O-N 3.37Å
589H44Very low62.9Low138 Ų13891.6 Ų91.664%0.63948%0.482SS*.Hα-helixtrans-70.9-21.1179-80.6-63.9000114.9E585 N586E585-H589 PolarHBondContact O-CD2 3.29Å; E585-H589 PolarHBondContact O-N 2.97Å; E585-H589 VanDerWaalsContact O-N 3.08Å; N586-H589 PolarHBondContact O-N 3.47Å
590Q39.5Very low60.7Low156 Ų15691.6 Ų91.673%0.72948%0.482SS*.Hα-helixtrans-82.3-19.4173.3-75.9-177.3-16.700113.2N586 L587 V588N586-Q590 WeakPolarHBondContact O-CG 3.31Å; N586-Q590 PolarHBondContact O-N 3.28Å; N586-Q590 VanDerWaalsContact O-N 3.07Å; L587-Q590 PolarHBondContact O-N 2.88Å; V588-Q590 VanDerWaalsContact C-N 3.33Å; V588-Q590 PolarHBondContact O-N 3.39Å
591H37.9Very low58.4Low151 Ų15194.8 Ų94.870%0.69950%0.495SS*.Hα-helixtrans-96.2-6.6179.6-77.2-56.7000114.1L587 V588L587-H591 PolarHBondContact O-CD2 3.42Å; L587-H591 PolarHBondContact O-N 2.97Å; V588-H591 PolarHBondContact O-N 3.46Å
592V39.1Very low56.2Low140 Ų14096.9 Ų96.985%0.84852%0.515SS*.  trans-100.70169.3178.20000108.1I372 V588I372-V592 HydrophobicContact CD1-CG2 4.41Å; I372-V592 HydrophobicContact CG1-CG2 4.33Å; V588-V592 WeakPolarHBondContact O-CG2 3.4Å; V588-V592 PolarHBondContact O-N 3.37Å

Retrieved 592 of 592 residues in 726.7 ms (Link to these results)

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