A0A087XM59_POEFO Loading...

GDNF family receptor alpha 2

AlphaFold DB , UniProt , Accession A0A087XM59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 424 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
1M87.1Confident81.4Confident52 Ų5285.5 Ų85.526%0.25645%0.449SS..  0-58.80-150.760.3-143.600115.4Q3 C4 L5 L16 A24 L25 L28M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.16Å; M1-Q3 VanDerWaalsContact O-N 3.13Å; M1-C4 HydrophobicContact CE-CB 3.85Å; M1-C4 WeakPolarHBondContact O-CA 3.34Å; M1-C4 WeakPolarHBondContact O-CB 3.41Å; M1-C4 PolarHBondContact O-N 3.34Å; M1-C4 HydrophobicContact SD-CB 4.35Å; M1-L5 HydrophobicContact CE-CD1 4.11Å; M1-L5 HydrophobicContact CE-CD2 3.37Å; M1-L5 HydrophobicContact CE-CG 3.66Å; M1-L5 HydrophobicContact CG-CD1 3.95Å; M1-L5 HydrophobicContact CG-CG 4.23Å; M1-L5 PolarHBondContact O-N 3.37Å; M1-L5 VanDerWaalsContact O-N 3.11Å; M1-L16 HydrophobicContact CE-CD2 3.38Å; M1-A24 HydrophobicContact SD-CB 3.97Å; M1-L25 HydrophobicContact CE-CB 4.45Å; M1-L25 HydrophobicContact CE-CD1 4.48Å; M1-L25 HydrophobicContact SD-CB 4.26Å; M1-L28 HydrophobicContact CG-CD2 3.91Å
2R86Confident81.4Confident143 Ų14380.2 Ų80.254%0.5442%0.419SS..THydrogen-bonded Turntrans-52.2-40.3-175.9-69.5-179.9-178.9-111.42.8114.8L5 S6 N51 S54R2-L5 PolarHBondContact O-N 3.43Å; R2-S6 PolarHBondContact O-N 3.31Å; R2-S6 VanDerWaalsContact O-N 3.15Å; R2-S6 PolarHBondContact O-OG 3.11Å; R2-N51 PolarHBondContact NH2-OD1 3.43Å; R2-S54 VanDerWaalsContact CZ-CB 3.48Å; R2-S54 PolarHBondContact NH1-OG 2.92Å; R2-S54 PolarHBondContact NH2-OG 3.41Å
3Q87.6Confident81.4Confident164 Ų16479.8 Ų79.877%0.76643%0.427SS*.THydrogen-bonded Turntrans-63.7-39174.2-70.3170.5-1700112.5M1 L5 S6M1-Q3 VanDerWaalsContact C-N 3.27Å; M1-Q3 PolarHBondContact O-N 3.16Å; M1-Q3 VanDerWaalsContact O-N 3.13Å; Q3-L5 PolarHBondContact O-N 2.93Å; Q3-S6 PolarHBondContact O-N 3.38Å
4C87Confident81.7Confident11 Ų1181.5 Ų81.57%0.07444%0.442CS..THydrogen-bonded Turntrans-63.4-28.9174.6-55.90000113M1 L16 C21M1-C4 HydrophobicContact CE-CB 3.85Å; M1-C4 WeakPolarHBondContact O-CA 3.34Å; M1-C4 WeakPolarHBondContact O-CB 3.41Å; M1-C4 PolarHBondContact O-N 3.34Å; M1-C4 HydrophobicContact SD-CB 4.35Å; C4-L16 HydrophobicContact CB-CD2 4.45Å; C4-C21 HydrophobicContact CB-CB 3.63Å; C4-C21 WeakPolarHBondContact CB-SG 3.11Å; C4-C21 WeakPolarHBondContact SG-CA 3.47Å; C4-C21 WeakPolarHBondContact SG-CB 3.44Å; C4-C21 CovalentContact SG-SG 2.03Å; C4-C21 PolarHBondContact SG-SG 3.35Å
5L82.3Confident82Confident13 Ų1381.6 Ų81.67%0.06844%0.44CS..THydrogen-bonded Turntrans-93.9-3-178.4-59.9-178000113.3M1 R2 Q3 R12 L16 S54M1-L5 HydrophobicContact CE-CD1 4.11Å; M1-L5 HydrophobicContact CE-CD2 3.37Å; M1-L5 HydrophobicContact CE-CG 3.66Å; M1-L5 HydrophobicContact CG-CD1 3.95Å; M1-L5 HydrophobicContact CG-CG 4.23Å; M1-L5 PolarHBondContact O-N 3.37Å; M1-L5 VanDerWaalsContact O-N 3.11Å; R2-L5 PolarHBondContact O-N 3.43Å; Q3-L5 PolarHBondContact O-N 2.93Å; L5-R12 PolarHBondContact O-NE 2.86Å; L5-R12 VanDerWaalsContact O-NE 3.11Å; L5-L16 HydrophobicContact CD2-CD1 4.31Å; L5-L16 HydrophobicContact CD2-CD2 3.82Å; L5-L16 HydrophobicContact CD2-CG 4.37Å; L5-S54 WeakPolarHBondContact CD1-O 3.28Å
6S80.5Confident82.2Confident72 Ų7279.3 Ų79.350%0.50343%0.427SS..  trans-82.1153.7179.6-60.10000110.9R2 Q3R2-S6 PolarHBondContact O-N 3.31Å; R2-S6 VanDerWaalsContact O-N 3.15Å; R2-S6 PolarHBondContact O-OG 3.11Å; Q3-S6 PolarHBondContact O-N 3.38Å
7G75.3Confident82.4Confident42 Ų4278.6 Ų78.643%0.43344%0.435SS..SBendtrans93.1179179.700000113.7E11 R12G7-E11 WeakPolarHBondContact CA-OE2 3.37Å; G7-R12 PolarHBondContact O-NH2 3.1Å
8G74.6Confident83Confident40 Ų4076.4 Ų76.441%0.41243%0.426SS..  trans-74.3167.7178.200000112.6K10 E11 R12G8-K10 PolarHBondContact O-N 2.98Å; G8-K10 VanDerWaalsContact O-N 3.07Å; G8-E11 PolarHBondContact N-OE2 3.14Å; G8-E11 PolarHBondContact O-N 3.42Å; G8-R12 WeakPolarHBondContact O-CB 3.48Å; G8-R12 PolarHBondContact O-N 3.19Å
9D74.8Confident83.5Confident93 Ų9382.2 Ų82.250%0.49745%0.446SS..Hα-helixtrans-51.4-39.8-172.5-58-23.9000114S13D9-S13 VanDerWaalsContact O-CB 3.31Å; D9-S13 WeakPolarHBondContact O-CB 3.28Å; D9-S13 PolarHBondContact O-N 3.46Å; D9-S13 PolarHBondContact O-OG 3.13Å
10K78.6Confident84Confident183 Ų18386.7 Ų86.780%0.79646%0.464SS*.Hα-helixtrans-68.3-45.3178.5-71-174.3178.2-1790113G8 R12 T14G8-K10 PolarHBondContact O-N 2.98Å; G8-K10 VanDerWaalsContact O-N 3.07Å; K10-R12 VanDerWaalsContact C-N 3.35Å; K10-T14 PolarHBondContact O-N 3.36Å; K10-T14 VanDerWaalsContact O-N 3.12Å; K10-T14 PolarHBondContact O-OG1 3.32Å
11E81.4Confident84.3Confident127 Ų12782.8 Ų82.859%0.59344%0.443SS*.Hα-helixtrans-65.4-44.4178.4-68.1171.2165.400109.7G7 G8 T14 M15G7-E11 WeakPolarHBondContact CA-OE2 3.37Å; G8-E11 PolarHBondContact N-OE2 3.14Å; G8-E11 PolarHBondContact O-N 3.42Å; E11-T14 WeakPolarHBondContact O-CB 3.44Å; E11-T14 PolarHBondContact O-N 3.02Å; E11-M15 VanDerWaalsContact O-CG 3.29Å; E11-M15 WeakPolarHBondContact O-CG 3.4Å; E11-M15 PolarHBondContact O-N 3.14Å
12R81.7Confident84.5Confident22 Ų2284.8 Ų84.88%0.08345%0.452CS..Hα-helixtrans-59.6-49.2176.1-173.6-178.1-52.2160.98.4112.5L5 G7 G8 K10 T14 M15 L16 M57 G58 E61L5-R12 PolarHBondContact O-NE 2.86Å; L5-R12 VanDerWaalsContact O-NE 3.11Å; G7-R12 PolarHBondContact O-NH2 3.1Å; G8-R12 WeakPolarHBondContact O-CB 3.48Å; G8-R12 PolarHBondContact O-N 3.19Å; K10-R12 VanDerWaalsContact C-N 3.35Å; R12-T14 PolarHBondContact O-N 3.27Å; R12-M15 PolarHBondContact O-N 3.41Å; R12-M15 VanDerWaalsContact O-N 3.14Å; R12-L16 HydrophobicContact CG-CD1 3.85Å; R12-L16 HydrophobicContact CG-CG 4.2Å; R12-L16 WeakPolarHBondContact O-CB 3.3Å; R12-L16 WeakPolarHBondContact O-CG 3.42Å; R12-L16 PolarHBondContact O-N 2.96Å; R12-M57 PolarHBondContact NH1-O 2.73Å; R12-G58 WeakPolarHBondContact CD-O 3.46Å; R12-E61 IonicContact CZ-OE2 3.1Å; R12-E61 IonicContact NH1-OE2 2.68Å; R12-E61 PolarHBondContact NH1-OE2 2.64Å; R12-E61 IonicContact NH2-OE2 2.66Å; R12-E61 PolarHBondContact NH2-OE2 3.29Å
13S81.6Confident84.8Confident75 Ų7579.4 Ų79.452%0.52444%0.441SS..Hα-helixtrans-58.4-39178.5-61.20000111.3D9 A17D9-S13 VanDerWaalsContact O-CB 3.31Å; D9-S13 WeakPolarHBondContact O-CB 3.28Å; D9-S13 PolarHBondContact O-N 3.46Å; D9-S13 PolarHBondContact O-OG 3.13Å; S13-A17 PolarHBondContact O-N 2.98Å; S13-A17 VanDerWaalsContact O-N 3.16Å
14T85.7Confident85Confident104 Ų10473 Ų7364%0.63842%0.416SS*.Hα-helixtrans-67.2-44.3176.6-51.70000111.5K10 E11 R12 A17K10-T14 PolarHBondContact O-N 3.36Å; K10-T14 VanDerWaalsContact O-N 3.12Å; K10-T14 PolarHBondContact O-OG1 3.32Å; E11-T14 WeakPolarHBondContact O-CB 3.44Å; E11-T14 PolarHBondContact O-N 3.02Å; R12-T14 PolarHBondContact O-N 3.27Å; T14-A17 PolarHBondContact O-N 3.44Å
15M85.7Confident85.1Confident83 Ų8374.3 Ų74.341%0.40942%0.422SS..Hα-helixtrans-65-43.4177.5-69.9-64.1-70.900111.8E11 R12 A17 S18 C21E11-M15 VanDerWaalsContact O-CG 3.29Å; E11-M15 WeakPolarHBondContact O-CG 3.4Å; E11-M15 PolarHBondContact O-N 3.14Å; R12-M15 PolarHBondContact O-N 3.41Å; R12-M15 VanDerWaalsContact O-N 3.14Å; M15-A17 PolarHBondContact O-N 2.94Å; M15-S18 VanDerWaalsContact O-CB 3.27Å; M15-S18 WeakPolarHBondContact O-CB 3.31Å; M15-S18 PolarHBondContact O-N 2.95Å; M15-S18 PolarHBondContact O-OG 3.5Å; M15-C21 WeakPolarHBondContact O-CB 3.02Å; M15-C21 PolarHBondContact O-SG 2.96Å
16L85.3Confident85.5Confident44 Ų4479.4 Ų79.423%0.2345%0.446CS..Hα-helixtrans-63.6-24.1176.7-75.3176.4000113.2M1 C4 L5 R12 S18 Q22M1-L16 HydrophobicContact CE-CD2 3.38Å; C4-L16 HydrophobicContact CB-CD2 4.45Å; L5-L16 HydrophobicContact CD2-CD1 4.31Å; L5-L16 HydrophobicContact CD2-CD2 3.82Å; L5-L16 HydrophobicContact CD2-CG 4.37Å; R12-L16 HydrophobicContact CG-CD1 3.85Å; R12-L16 HydrophobicContact CG-CG 4.2Å; R12-L16 WeakPolarHBondContact O-CB 3.3Å; R12-L16 WeakPolarHBondContact O-CG 3.42Å; R12-L16 PolarHBondContact O-N 2.96Å; L16-S18 VanDerWaalsContact C-N 3.29Å; L16-Q22 VanDerWaalsContact O-CG 3.31Å; L16-Q22 WeakPolarHBondContact O-CG 3.27Å
17A86.8Confident86.1Confident68 Ų6881.1 Ų81.156%0.56245%0.452SS*.THydrogen-bonded Turntrans-77.3-12.217300000113.6S13 T14 M15S13-A17 PolarHBondContact O-N 2.98Å; S13-A17 VanDerWaalsContact O-N 3.16Å; T14-A17 PolarHBondContact O-N 3.44Å; M15-A17 PolarHBondContact O-N 2.94Å
18S92.1Very high86.8Confident40 Ų4080 Ų8028%0.2844%0.437SS..SBendtrans-72.5144.5176.175.50000111.5M15 L16 E20 C21 Q22M15-S18 VanDerWaalsContact O-CB 3.27Å; M15-S18 WeakPolarHBondContact O-CB 3.31Å; M15-S18 PolarHBondContact O-N 2.95Å; M15-S18 PolarHBondContact O-OG 3.5Å; L16-S18 VanDerWaalsContact C-N 3.29Å; S18-E20 PolarHBondContact O-N 3.16Å; S18-C21 PolarHBondContact O-N 3.25Å; S18-C21 VanDerWaalsContact O-N 3.16Å; S18-C21 WeakPolarHBondContact OG-CB 3.38Å; S18-C21 PolarHBondContact OG-N 3.37Å; S18-C21 PolarHBondContact OG-SG 3.36Å; S18-Q22 WeakPolarHBondContact O-CG 3.37Å; S18-Q22 PolarHBondContact O-N 3.1Å
19K93Very high87.5Confident186 Ų18682.5 Ų82.581%0.80944%0.438SS*.Hα-helixtrans-56.8-37.1178.7-86.1-172.6172.7-177.30113.3Q22 G23K19-Q22 PolarHBondContact O-N 3.17Å; K19-G23 PolarHBondContact O-N 3.31Å
20E92.6Very high88.2Confident172 Ų17285.1 Ų85.180%0.80445%0.451SS*.Hα-helixtrans-66.4-41.1179.7-66.6178.7178.800111.6S18 A24S18-E20 PolarHBondContact O-N 3.16Å; E20-A24 VanDerWaalsContact O-CB 3.3Å; E20-A24 WeakPolarHBondContact O-CB 3.17Å; E20-A24 PolarHBondContact O-N 3Å
21C91.4Very high88.8Confident4 Ų477.8 Ų77.83%0.02742%0.424CS..Hα-helixtrans-75-33.5177.5-67.10000112.9C4 M15 S18 A24 L25C4-C21 HydrophobicContact CB-CB 3.63Å; C4-C21 WeakPolarHBondContact CB-SG 3.11Å; C4-C21 WeakPolarHBondContact SG-CA 3.47Å; C4-C21 WeakPolarHBondContact SG-CB 3.44Å; C4-C21 CovalentContact SG-SG 2.03Å; C4-C21 PolarHBondContact SG-SG 3.35Å; M15-C21 WeakPolarHBondContact O-CB 3.02Å; M15-C21 PolarHBondContact O-SG 2.96Å; S18-C21 PolarHBondContact O-N 3.25Å; S18-C21 VanDerWaalsContact O-N 3.16Å; S18-C21 WeakPolarHBondContact OG-CB 3.38Å; S18-C21 PolarHBondContact OG-N 3.37Å; S18-C21 PolarHBondContact OG-SG 3.36Å; C21-A24 PolarHBondContact O-N 3.29Å; C21-L25 WeakPolarHBondContact O-CB 3.37Å; C21-L25 PolarHBondContact O-N 3.3Å
22Q90.6Very high89.2Confident95 Ų9577.8 Ų77.844%0.44443%0.434SS..Hα-helixtrans-62.8-50171.1-73179.9-21.600111.3L16 S18 K19 A24 L25 E26L16-Q22 VanDerWaalsContact O-CG 3.31Å; L16-Q22 WeakPolarHBondContact O-CG 3.27Å; S18-Q22 WeakPolarHBondContact O-CG 3.37Å; S18-Q22 PolarHBondContact O-N 3.1Å; K19-Q22 PolarHBondContact O-N 3.17Å; Q22-A24 VanDerWaalsContact C-N 3.3Å; Q22-A24 PolarHBondContact O-N 3.16Å; Q22-L25 WeakPolarHBondContact O-CB 3.49Å; Q22-L25 PolarHBondContact O-N 2.67Å; Q22-E26 PolarHBondContact O-N 3.11Å
23G92.3Very high89.4Confident29 Ų2981.7 Ų81.730%0.29946%0.456SS..Hα-helixtrans-61.8-37.517600000112.6K19 L25 E26 V27K19-G23 PolarHBondContact O-N 3.31Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 3.23Å; G23-E26 PolarHBondContact O-N 2.86Å; G23-V27 WeakPolarHBondContact O-CG2 3.48Å; G23-V27 PolarHBondContact O-N 2.88Å; G23-V27 VanDerWaalsContact O-N 3.1Å
24A91.1Very high89.7Confident30 Ų3081.4 Ų81.425%0.24844%0.444CS..Hα-helixtrans-66-29.4173.900000113.2M1 E20 C21 Q22 L28M1-A24 HydrophobicContact SD-CB 3.97Å; E20-A24 VanDerWaalsContact O-CB 3.3Å; E20-A24 WeakPolarHBondContact O-CB 3.17Å; E20-A24 PolarHBondContact O-N 3Å; C21-A24 PolarHBondContact O-N 3.29Å; Q22-A24 VanDerWaalsContact C-N 3.3Å; Q22-A24 PolarHBondContact O-N 3.16Å; A24-L28 VanDerWaalsContact O-CB 3.28Å; A24-L28 WeakPolarHBondContact O-CB 2.94Å; A24-L28 PolarHBondContact O-N 3.43Å; A24-L28 VanDerWaalsContact O-N 3.14Å
25L89.2Confident89.7Confident38 Ų3881.8 Ų81.820%0.19944%0.442CS..Hα-helixtrans-75.1-43.2176.2-178.257.7000111.5M1 C21 Q22 G23 L28 Q29 L59M1-L25 HydrophobicContact CE-CB 4.45Å; M1-L25 HydrophobicContact CE-CD1 4.48Å; M1-L25 HydrophobicContact SD-CB 4.26Å; C21-L25 WeakPolarHBondContact O-CB 3.37Å; C21-L25 PolarHBondContact O-N 3.3Å; Q22-L25 WeakPolarHBondContact O-CB 3.49Å; Q22-L25 PolarHBondContact O-N 2.67Å; G23-L25 VanDerWaalsContact C-N 3.28Å; G23-L25 PolarHBondContact O-N 3.23Å; L25-L28 HydrophobicContact CD1-CD2 4.37Å; L25-L28 WeakPolarHBondContact O-CB 2.81Å; L25-L28 PolarHBondContact O-N 3.13Å; L25-L28 VanDerWaalsContact O-N 3.13Å; L25-Q29 HydrophobicContact CD1-CG 4.39Å; L25-Q29 WeakPolarHBondContact O-CG 3.04Å; L25-Q29 PolarHBondContact O-N 3.29Å; L25-L59 HydrophobicContact CD1-CD1 4.13Å; L25-L59 HydrophobicContact CD1-CD2 3.54Å; L25-L59 HydrophobicContact CD1-CG 4.48Å; L25-L59 HydrophobicContact CD2-CD2 4.14Å
26E90.9Very high90Very high121 Ų12179.1 Ų79.157%0.56543%0.431SS*.Hα-helixtrans-57.8-49.5174.8-70.3172.3-177.400110.9Q22 G23 L28 Q29 D30Q22-E26 PolarHBondContact O-N 3.11Å; G23-E26 PolarHBondContact O-N 2.86Å; E26-L28 VanDerWaalsContact C-N 3.25Å; E26-L28 PolarHBondContact O-N 2.03Å; E26-Q29 PolarHBondContact O-N 3.19Å; E26-D30 PolarHBondContact O-N 3.21Å; E26-D30 VanDerWaalsContact O-N 3.14Å
27V92.7Very high90.4Very high107 Ų10781.2 Ų81.265%0.64844%0.436SS*.Hα-helixtrans-61.6-35.5176.2173.40000111.9G23 S31G23-V27 WeakPolarHBondContact O-CG2 3.48Å; G23-V27 PolarHBondContact O-N 2.88Å; G23-V27 VanDerWaalsContact O-N 3.1Å; V27-S31 PolarHBondContact O-N 2.04Å
28L89.9Confident90.8Very high20 Ų2078 Ų7811%0.10541%0.41CS..Hα-helixtrans-68.7-43.4177.3177.867.5000111.1M1 A24 L25 E26 D30 S31 L33 Y34 I55M1-L28 HydrophobicContact CG-CD2 3.91Å; A24-L28 VanDerWaalsContact O-CB 3.28Å; A24-L28 WeakPolarHBondContact O-CB 2.94Å; A24-L28 PolarHBondContact O-N 3.43Å; A24-L28 VanDerWaalsContact O-N 3.14Å; L25-L28 HydrophobicContact CD1-CD2 4.37Å; L25-L28 WeakPolarHBondContact O-CB 2.81Å; L25-L28 PolarHBondContact O-N 3.13Å; L25-L28 VanDerWaalsContact O-N 3.13Å; E26-L28 VanDerWaalsContact C-N 3.25Å; E26-L28 PolarHBondContact O-N 2.03Å; L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 3.16Å; L28-S31 VanDerWaalsContact O-CB 3.28Å; L28-S31 WeakPolarHBondContact O-CB 3.29Å; L28-S31 PolarHBondContact O-N 3.27Å; L28-S31 PolarHBondContact O-OG 3.24Å; L28-L33 HydrophobicContact CD1-CB 4.34Å; L28-Y34 HydrophobicContact CG-CD2 4.35Å; L28-Y34 WeakPolarHBondContact O-CB 3.44Å; L28-I55 HydrophobicContact CD1-CD1 4.34Å; L28-I55 HydrophobicContact CD1-CG2 4.45Å; L28-I55 HydrophobicContact CD2-CG2 3.67Å; L28-I55 HydrophobicContact CG-CG2 4.41Å
29Q89.6Confident90.8Very high92 Ų9281.8 Ų81.843%0.4342%0.421SS..Hα-helixtrans-60-38.1178.6-76.4173.5-27.800112.2L25 E26 S31 Y34L25-Q29 HydrophobicContact CD1-CG 4.39Å; L25-Q29 WeakPolarHBondContact O-CG 3.04Å; L25-Q29 PolarHBondContact O-N 3.29Å; E26-Q29 PolarHBondContact O-N 3.19Å; Q29-S31 PolarHBondContact O-N 2.93Å; Q29-Y34 HydrophobicContact CG-CD2 4Å; Q29-Y34 HydrophobicContact CG-CE1 4.49Å; Q29-Y34 HydrophobicContact CG-CE2 3.72Å; Q29-Y34 HydrophobicContact CG-CG 4.5Å
30D90.9Very high90.6Very high147 Ų14776.2 Ų76.279%0.78640%0.395SS*.THydrogen-bonded Turntrans-78-6.6175.5-70-20000113.3E26 L28E26-D30 PolarHBondContact O-N 3.21Å; E26-D30 VanDerWaalsContact O-N 3.14Å; L28-D30 VanDerWaalsContact C-N 3.29Å; L28-D30 PolarHBondContact O-N 3.16Å
31S91.1Very high90.3Very high30 Ų3070.7 Ų70.721%0.2138%0.384CS..SBendtrans-87.4149.7-178.783.60000112.3V27 L28 Q29 L33 Y34V27-S31 PolarHBondContact O-N 2.04Å; L28-S31 VanDerWaalsContact O-CB 3.28Å; L28-S31 WeakPolarHBondContact O-CB 3.29Å; L28-S31 PolarHBondContact O-N 3.27Å; L28-S31 PolarHBondContact O-OG 3.24Å; Q29-S31 PolarHBondContact O-N 2.93Å; S31-L33 PolarHBondContact O-N 3.01Å; S31-L33 WeakPolarHBondContact OG-CB 3.31Å; S31-L33 PolarHBondContact OG-N 2.89Å; S31-Y34 PolarHBondContact O-N 3.3Å; S31-Y34 VanDerWaalsContact O-N 3.11Å
32P88.3Confident90.2Very high126 Ų12674 Ų7482%0.81840%0.4SS*.THydrogen-bonded Turntrans-59.5-10.5170.5-23.333.3000114.6
33L87.1Confident90.2Very high104 Ų10479.6 Ų79.655%0.54542%0.423SS..THydrogen-bonded Turntrans-79.9-22.3178.5-66.2174000112.9L28 S31 C36 I55L28-L33 HydrophobicContact CD1-CB 4.34Å; S31-L33 PolarHBondContact O-N 3.01Å; S31-L33 WeakPolarHBondContact OG-CB 3.31Å; S31-L33 PolarHBondContact OG-N 2.89Å; L33-C36 WeakPolarHBondContact O-CB 3.44Å; L33-C36 PolarHBondContact O-N 2.88Å; L33-C36 PolarHBondContact O-SG 3.23Å; L33-I55 HydrophobicContact CB-CD1 4.16Å
34Y86.9Confident90.4Very high69 Ų6984.5 Ų84.527%0.27144%0.436SS..THydrogen-bonded Turntrans-64-46.6-176.4-170.2-108.1000112.2L28 Q29 S31 C36 H56 L59L28-Y34 HydrophobicContact CG-CD2 4.35Å; L28-Y34 WeakPolarHBondContact O-CB 3.44Å; Q29-Y34 HydrophobicContact CG-CD2 4Å; Q29-Y34 HydrophobicContact CG-CE1 4.49Å; Q29-Y34 HydrophobicContact CG-CE2 3.72Å; Q29-Y34 HydrophobicContact CG-CG 4.5Å; S31-Y34 PolarHBondContact O-N 3.3Å; S31-Y34 VanDerWaalsContact O-N 3.11Å; Y34-C36 VanDerWaalsContact C-N 3.34Å; Y34-H56 PolarHBondContact O-CE1 3.36Å; Y34-H56 PolarHBondContact O-NE2 2.8Å; Y34-H56 VanDerWaalsContact O-NE2 3.1Å; Y34-L59 HydrophobicContact CE2-CD1 3.92Å
35D87.3Confident90.5Very high112 Ų11283.9 Ų83.960%0.59943%0.428SS*.THydrogen-bonded Turntrans-98.722.9178.2-72.3-47000112.8R37D35-R37 PolarHBondContact O-NH1 3.14Å
36C90.9Very high90.8Very high27 Ų2786.2 Ų86.218%0.18244%0.44CS..  trans-61.7146.2179.274.70000111.1L33 Y34L33-C36 WeakPolarHBondContact O-CB 3.44Å; L33-C36 PolarHBondContact O-N 2.88Å; L33-C36 PolarHBondContact O-SG 3.23Å; Y34-C36 VanDerWaalsContact C-N 3.34Å
37R94Very high91Very high89 Ų8985 Ų8534%0.33644%0.435SS..  trans-132.3153.2174.7-63.7-65.7-178-86.4-2.9109.6D35 P70 E72D35-R37 PolarHBondContact O-NH1 3.14Å; R37-P70 CarbonylContact C-O 3.55Å; R37-P70 VanDerWaalsContact CA-O 3.29Å; R37-P70 WeakPolarHBondContact CA-O 3.44Å; R37-P70 WeakPolarHBondContact CD-O 3.43Å; R37-E72 HydrophobicContact CB-CB 4.46Å; R37-E72 HydrophobicContact CB-CG 3.51Å; R37-E72 HydrophobicContact CG-CG 4.39Å
38C95.4Very high91.2Very high0 Ų081.1 Ų81.10%041%0.412CS..BIsolated β-bridgetrans-102.5156.6177.8-58.70000110.8M42 C48 L49 P70 Y71 E72C38-M42 HydrophobicContact CB-SD 4.4Å; C38-C48 WeakPolarHBondContact CA-SG 3.06Å; C38-C48 HydrophobicContact CB-CB 3.99Å; C38-C48 WeakPolarHBondContact CB-SG 3.31Å; C38-C48 WeakPolarHBondContact SG-CB 3.06Å; C38-C48 CovalentContact SG-SG 2.04Å; C38-C48 PolarHBondContact SG-SG 2.74Å; C38-L49 HydrophobicContact CB-CD2 3.86Å; C38-P70 PolarHBondContact N-O 2.9Å; C38-Y71 HydrophobicContact CB-CD1 4.12Å; C38-Y71 HydrophobicContact CB-CE1 4.32Å; C38-Y71 CarbonylContact O-C 3.4Å; C38-Y71 VanDerWaalsContact O-CA 3.24Å; C38-Y71 WeakPolarHBondContact O-CA 3.5Å; C38-E72 PolarHBondContact O-N 3.07Å
39K92.1Very high91.4Very high119 Ų11980.2 Ų80.252%0.51741%0.407SS..  trans-109134172.7-70.5179.7175.5176.40109.8G41 M42 E72K39-G41 PolarHBondContact O-N 3.33Å; K39-M42 HydrophobicContact CB-CB 4.32Å; K39-M42 HydrophobicContact CB-SD 4.42Å; K39-M42 WeakPolarHBondContact O-CB 3.32Å; K39-M42 WeakPolarHBondContact O-CG 3.36Å; K39-M42 PolarHBondContact O-N 3.29Å; K39-E72 WeakPolarHBondContact CE-OE1 3.37Å; K39-E72 WeakPolarHBondContact CE-OE2 3.29Å; K39-E72 HydrophobicContact CG-CG 4.4Å; K39-E72 IonicContact NZ-OE1 3.9Å; K39-E72 IonicContact NZ-OE2 3.72Å
40R88.5Confident91.6Very high70 Ų7080.7 Ų80.726%0.26441%0.409SS..THydrogen-bonded Turntrans-59135.1174.5-74.8-176.7165.6-130.6-2.7110.2M42 Y71 D222 M247R40-M42 PolarHBondContact O-N 3.23Å; R40-Y71 HydrophobicContact CG-CD1 3.66Å; R40-Y71 HydrophobicContact CG-CE1 3.72Å; R40-Y71 HydrophobicContact CG-CG 4.12Å; R40-D222 IonicContact CZ-OD2 3.95Å; R40-D222 VanDerWaalsContact CZ-OD2 3.29Å; R40-D222 IonicContact NE-OD2 3.9Å; R40-D222 PolarHBondContact NE-OD2 3.14Å; R40-D222 IonicContact NH2-OD2 3.61Å; R40-D222 PolarHBondContact NH2-OD2 2.86Å; R40-M247 PolarHBondContact NH1-O 3.12Å
41G85.3Confident91.6Very high55 Ų5576.8 Ų76.857%0.56739%0.388SS*.THydrogen-bonded Turntrans73.88.6176.400000115.1K39 E45K39-G41 PolarHBondContact O-N 3.33Å; G41-E45 PolarHBondContact N-OE2 3.08Å
42M91Very high91.7Very high75 Ų7575.6 Ų75.637%0.36938%0.379SS..  trans-67.2148.6174.172.9-176.5-68.700111.3C38 K39 R40 K44 E45 C48C38-M42 HydrophobicContact CB-SD 4.4Å; K39-M42 HydrophobicContact CB-CB 4.32Å; K39-M42 HydrophobicContact CB-SD 4.42Å; K39-M42 WeakPolarHBondContact O-CB 3.32Å; K39-M42 WeakPolarHBondContact O-CG 3.36Å; K39-M42 PolarHBondContact O-N 3.29Å; R40-M42 PolarHBondContact O-N 3.23Å; M42-K44 PolarHBondContact O-N 3Å; M42-E45 VanDerWaalsContact CG-CA 3.45Å; M42-E45 HydrophobicContact CG-CB 3.7Å; M42-E45 HydrophobicContact CG-CG 4.43Å; M42-E45 WeakPolarHBondContact O-CB 3.44Å; M42-E45 PolarHBondContact O-N 3.32Å; M42-C48 HydrophobicContact CE-CB 4.33Å; M42-C48 HydrophobicContact SD-CB 3.92Å
43K90.6Very high91.8Very high211 Ų21170.1 Ų70.192%0.91734%0.342SS*.THydrogen-bonded Turntrans-52.9-32.8-174.4-172176.7-179.1178.90114.5
44K94.8Very high91.8Very high132 Ų13266 Ų6657%0.57432%0.322SS*.THydrogen-bonded Turntrans-117.234.4-178.9-68.8-179.5166.6-169.90112.3M42 L46 Q47 C48M42-K44 PolarHBondContact O-N 3Å; K44-L46 PolarHBondContact O-N 3.47Å; K44-Q47 HydrophobicContact CB-CB 4.31Å; K44-Q47 PolarHBondContact O-N 3.17Å; K44-Q47 VanDerWaalsContact O-N 3.08Å; K44-C48 PolarHBondContact O-N 3.05Å
45E94.8Very high91.6Very high18 Ų1863.6 Ų63.68%0.08431%0.314CS..Hα-helixtrans-51.4-52.2-176.2-177.9171.8-174.100112.2G41 M42 Q47 C48 L49 Y71 R219G41-E45 PolarHBondContact N-OE2 3.08Å; M42-E45 VanDerWaalsContact CG-CA 3.45Å; M42-E45 HydrophobicContact CG-CB 3.7Å; M42-E45 HydrophobicContact CG-CG 4.43Å; M42-E45 WeakPolarHBondContact O-CB 3.44Å; M42-E45 PolarHBondContact O-N 3.32Å; E45-Q47 VanDerWaalsContact C-N 3.27Å; E45-Q47 PolarHBondContact O-N 3.05Å; E45-C48 WeakPolarHBondContact O-CB 3.35Å; E45-C48 PolarHBondContact O-N 3.38Å; E45-L49 HydrophobicContact CG-CD1 4.03Å; E45-L49 HydrophobicContact CG-CG 4.36Å; E45-L49 WeakPolarHBondContact O-CG 3.25Å; E45-L49 PolarHBondContact O-N 3.15Å; E45-Y71 HydrophobicContact CG-CE1 4.4Å; E45-Y71 VanDerWaalsContact OE1-CE1 3.25Å; E45-Y71 WeakPolarHBondContact OE1-CE1 3.48Å; E45-Y71 PolarHBondContact OE1-OH 2.77Å; E45-R219 IonicContact OE1-CZ 2.65Å; E45-R219 IonicContact OE1-NE 3.67Å; E45-R219 IonicContact OE1-NH2 3.29Å; E45-R219 PolarHBondContact OE1-NH2 3.12Å; E45-R219 IonicContact OE2-NH2 2.66Å; E45-R219 PolarHBondContact OE2-NH2 2.88Å
46L94.8Very high91.3Very high87 Ų8759.4 Ų59.446%0.45529%0.291SS..Hα-helixtrans-57.4-40.1-179.9-177.261.7000112.8K44 L49 Q50 A214K44-L46 PolarHBondContact O-N 3.47Å; L46-L49 PolarHBondContact O-N 3.22Å; L46-Q50 HydrophobicContact CD1-CG 4.39Å; L46-Q50 WeakPolarHBondContact O-CB 3.48Å; L46-Q50 VanDerWaalsContact O-CG 3.23Å; L46-Q50 WeakPolarHBondContact O-CG 3.36Å; L46-Q50 PolarHBondContact O-N 2.88Å; L46-A214 HydrophobicContact CD1-CB 4.25Å
47Q95.4Very high90.4Very high96 Ų9661.2 Ų61.245%0.44930%0.297SS..Hα-helixtrans-67.7-39.5178-171.7177.31500111.4K44 E45 N51K44-Q47 HydrophobicContact CB-CB 4.31Å; K44-Q47 PolarHBondContact O-N 3.17Å; K44-Q47 VanDerWaalsContact O-N 3.08Å; E45-Q47 VanDerWaalsContact C-N 3.27Å; E45-Q47 PolarHBondContact O-N 3.05Å; Q47-N51 WeakPolarHBondContact O-CB 3.49Å; Q47-N51 VanDerWaalsContact O-CG 3.3Å; Q47-N51 PolarHBondContact O-N 3.22Å; Q47-N51 PolarHBondContact O-ND2 2.66Å
48C96.1Very high88.9Confident25 Ų2557.2 Ų57.217%0.16928%0.284CS..Hα-helixtrans-59.7-49.3174.2-175.60000111C38 M42 K44 E45 Q50 N51 Y52C38-C48 WeakPolarHBondContact CA-SG 3.06Å; C38-C48 HydrophobicContact CB-CB 3.99Å; C38-C48 WeakPolarHBondContact CB-SG 3.31Å; C38-C48 WeakPolarHBondContact SG-CB 3.06Å; C38-C48 CovalentContact SG-SG 2.04Å; C38-C48 PolarHBondContact SG-SG 2.74Å; M42-C48 HydrophobicContact CE-CB 4.33Å; M42-C48 HydrophobicContact SD-CB 3.92Å; K44-C48 PolarHBondContact O-N 3.05Å; E45-C48 WeakPolarHBondContact O-CB 3.35Å; E45-C48 PolarHBondContact O-N 3.38Å; C48-Q50 PolarHBondContact O-N 3.04Å; C48-N51 WeakPolarHBondContact O-CB 3.24Å; C48-N51 PolarHBondContact O-N 3.23Å; C48-N51 VanDerWaalsContact O-N 3.17Å; C48-Y52 PolarHBondContact O-N 3.5Å
49L95.7Very high87.1Confident0 Ų059.6 Ų59.60%030%0.296CS..Hα-helixtrans-63.7-42.6-180-60.1174.9000112.1C38 E45 L46 N51 Y52 W53 P70 Y71 A214 L215 S218C38-L49 HydrophobicContact CB-CD2 3.86Å; E45-L49 HydrophobicContact CG-CD1 4.03Å; E45-L49 HydrophobicContact CG-CG 4.36Å; E45-L49 WeakPolarHBondContact O-CG 3.25Å; E45-L49 PolarHBondContact O-N 3.15Å; L46-L49 PolarHBondContact O-N 3.22Å; L49-N51 VanDerWaalsContact C-N 3.26Å; L49-N51 PolarHBondContact O-N 3.33Å; L49-Y52 PolarHBondContact O-N 3.49Å; L49-W53 PolarHBondContact O-N 2.96Å; L49-P70 HydrophobicContact CD2-CB 4.02Å; L49-P70 HydrophobicContact CD2-CG 3.67Å; L49-Y71 VanDerWaalsContact CD1-OH 3.31Å; L49-Y71 WeakPolarHBondContact CD1-OH 3.28Å; L49-Y71 HydrophobicContact CD2-CE1 4Å; L49-Y71 HydrophobicContact CD2-CE2 4.42Å; L49-A214 HydrophobicContact CB-CB 4.36Å; L49-L215 HydrophobicContact CD1-CB 4.49Å; L49-L215 HydrophobicContact CD1-CD1 3.73Å; L49-S218 WeakPolarHBondContact CD2-OG 3.18Å
50Q93.4Very high85.7Confident103 Ų10357.6 Ų57.648%0.48129%0.294SS..Hα-helixtrans-60.6-37.2175.5-75.8172.4-22.300112.1L46 C48 S54 A214L46-Q50 HydrophobicContact CD1-CG 4.39Å; L46-Q50 WeakPolarHBondContact O-CB 3.48Å; L46-Q50 VanDerWaalsContact O-CG 3.23Å; L46-Q50 WeakPolarHBondContact O-CG 3.36Å; L46-Q50 PolarHBondContact O-N 2.88Å; C48-Q50 PolarHBondContact O-N 3.04Å; Q50-S54 WeakPolarHBondContact O-CB 3.46Å; Q50-S54 PolarHBondContact O-N 3.27Å; Q50-S54 VanDerWaalsContact O-N 3.11Å; Q50-A214 HydrophobicContact CG-CB 4.1Å
51N91.1Very high84.3Confident64 Ų6458 Ų5834%0.34230%0.299SS..Hα-helixtrans-69.4-47.3174.8-73.2-23.8000111.7R2 Q47 C48 L49 W53 S54 I55R2-N51 PolarHBondContact NH2-OD1 3.43Å; Q47-N51 WeakPolarHBondContact O-CB 3.49Å; Q47-N51 VanDerWaalsContact O-CG 3.3Å; Q47-N51 PolarHBondContact O-N 3.22Å; Q47-N51 PolarHBondContact O-ND2 2.66Å; C48-N51 WeakPolarHBondContact O-CB 3.24Å; C48-N51 PolarHBondContact O-N 3.23Å; C48-N51 VanDerWaalsContact O-N 3.17Å; L49-N51 VanDerWaalsContact C-N 3.26Å; L49-N51 PolarHBondContact O-N 3.33Å; N51-W53 PolarHBondContact O-N 3.38Å; N51-S54 PolarHBondContact O-N 2.95Å; N51-S54 PolarHBondContact O-OG 3.49Å; N51-I55 PolarHBondContact O-N 3.33Å
52Y92.6Very high83Confident5 Ų558.6 Ų58.62%0.0231%0.305CS..Hα-helixtrans-54.2-54175.5177.9-84.6000111.3C48 L49 S54 I55 H56 P70C48-Y52 PolarHBondContact O-N 3.5Å; L49-Y52 PolarHBondContact O-N 3.49Å; Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 PolarHBondContact O-N 2.83Å; Y52-I55 PolarHBondContact O-N 3.08Å; Y52-H56 HydrophobicContact CD1-CB 4.39Å; Y52-H56 AromaticContact CD1-CD2 3.89Å; Y52-H56 AromaticContact CD2-CD2 3.44Å; Y52-H56 VanDerWaalsContact CD2-CD2 3.44Å; Y52-H56 WeakPolarHBondContact CD2-CD2 3.49Å; Y52-H56 AromaticContact CD2-NE2 3.72Å; Y52-H56 HydrophobicContact CE1-CB 3.97Å; Y52-H56 AromaticContact CE1-CD2 3.78Å; Y52-H56 AromaticContact CE1-CG 3.98Å; Y52-H56 AromaticContact CE2-CD2 3.31Å; Y52-H56 WeakPolarHBondContact CE2-CD2 3.37Å; Y52-H56 AromaticContact CE2-NE2 3.44Å; Y52-H56 WeakPolarHBondContact CE2-NE2 3.08Å; Y52-H56 AromaticContact CG-CD2 3.74Å; Y52-H56 AromaticContact CZ-CD2 3.5Å; Y52-H56 AromaticContact CZ-CG 3.79Å; Y52-H56 AromaticContact CZ-NE2 3.97Å; Y52-H56 PolarHBondContact O-CD2 3.19Å; Y52-H56 VanDerWaalsContact O-CD2 3.29Å; Y52-H56 PolarHBondContact O-N 3.38Å; Y52-P70 HydrophobicContact CD1-CB 3.49Å; Y52-P70 VanDerWaalsContact CD1-CB 3.49Å; Y52-P70 HydrophobicContact CD1-CG 4.43Å; Y52-P70 HydrophobicContact CD2-CB 3.8Å; Y52-P70 HydrophobicContact CE1-CB 3.58Å; Y52-P70 HydrophobicContact CE1-CG 4.45Å; Y52-P70 HydrophobicContact CE2-CB 3.89Å; Y52-P70 HydrophobicContact CG-CB 3.58Å
53W90.8Very high81.4Confident11 Ų1163.2 Ų63.24%0.04233%0.326CS..Hα-helixtrans-65.9-30-178.1-70.5118.1000112.7L49 N51 I55 M57 E67 P70 R217 S218L49-W53 PolarHBondContact O-N 2.96Å; N51-W53 PolarHBondContact O-N 3.38Å; W53-I55 PolarHBondContact O-N 2.79Å; W53-M57 HydrophobicContact CB-CG 3.94Å; W53-M57 HydrophobicContact CB-SD 4.07Å; W53-M57 HydrophobicContact CD2-CG 4.4Å; W53-M57 HydrophobicContact CE3-CG 3.76Å; W53-M57 WeakPolarHBondContact O-CB 3.14Å; W53-M57 WeakPolarHBondContact O-CG 3.16Å; W53-M57 PolarHBondContact O-N 3.09Å; W53-E67 HydrophobicContact CH2-CB 4.05Å; W53-P70 HydrophobicContact CZ2-CG 4.28Å; W53-R217 HydrophobicContact CH2-CG 4.09Å; W53-R217 HydrophobicContact CZ2-CB 4.45Å; W53-R217 HydrophobicContact CZ2-CG 3.69Å; W53-S218 PolarHBondContact NE1-OG 3.38Å
54S86.4Confident80.4Confident19 Ų1959.1 Ų59.113%0.13331%0.31CS..Hα-helixtrans-65.6-20.5174.4760000114.4R2 L5 Q50 N51 Y52R2-S54 VanDerWaalsContact CZ-CB 3.48Å; R2-S54 PolarHBondContact NH1-OG 2.92Å; R2-S54 PolarHBondContact NH2-OG 3.41Å; L5-S54 WeakPolarHBondContact CD1-O 3.28Å; Q50-S54 WeakPolarHBondContact O-CB 3.46Å; Q50-S54 PolarHBondContact O-N 3.27Å; Q50-S54 VanDerWaalsContact O-N 3.11Å; N51-S54 PolarHBondContact O-N 2.95Å; N51-S54 PolarHBondContact O-OG 3.49Å; Y52-S54 VanDerWaalsContact C-N 3.27Å; Y52-S54 PolarHBondContact O-N 2.83Å
55I83.8Confident79.9Confident18 Ų1855.5 Ų55.59%0.09230%0.295CS..Hα-helixtrans-94.1-52.9177.6-65.2165.3000109.3L28 L33 N51 Y52 W53 L59L28-I55 HydrophobicContact CD1-CD1 4.34Å; L28-I55 HydrophobicContact CD1-CG2 4.45Å; L28-I55 HydrophobicContact CD2-CG2 3.67Å; L28-I55 HydrophobicContact CG-CG2 4.41Å; L33-I55 HydrophobicContact CB-CD1 4.16Å; N51-I55 PolarHBondContact O-N 3.33Å; Y52-I55 PolarHBondContact O-N 3.08Å; W53-I55 PolarHBondContact O-N 2.79Å; I55-L59 HydrophobicContact CG2-CD1 4.4Å; I55-L59 WeakPolarHBondContact O-CG 3.36Å
56H81.1Confident79.6Confident24 Ų2458.6 Ų58.611%0.11131%0.306CS..Hα-helixtrans-82.4-30.2-170.1-68.2-81.8000114.4Y34 Y52 G58 L59 T60Y34-H56 PolarHBondContact O-CE1 3.36Å; Y34-H56 PolarHBondContact O-NE2 2.8Å; Y34-H56 VanDerWaalsContact O-NE2 3.1Å; Y52-H56 HydrophobicContact CD1-CB 4.39Å; Y52-H56 AromaticContact CD1-CD2 3.89Å; Y52-H56 AromaticContact CD2-CD2 3.44Å; Y52-H56 VanDerWaalsContact CD2-CD2 3.44Å; Y52-H56 WeakPolarHBondContact CD2-CD2 3.49Å; Y52-H56 AromaticContact CD2-NE2 3.72Å; Y52-H56 HydrophobicContact CE1-CB 3.97Å; Y52-H56 AromaticContact CE1-CD2 3.78Å; Y52-H56 AromaticContact CE1-CG 3.98Å; Y52-H56 AromaticContact CE2-CD2 3.31Å; Y52-H56 WeakPolarHBondContact CE2-CD2 3.37Å; Y52-H56 AromaticContact CE2-NE2 3.44Å; Y52-H56 WeakPolarHBondContact CE2-NE2 3.08Å; Y52-H56 AromaticContact CG-CD2 3.74Å; Y52-H56 AromaticContact CZ-CD2 3.5Å; Y52-H56 AromaticContact CZ-CG 3.79Å; Y52-H56 AromaticContact CZ-NE2 3.97Å; Y52-H56 PolarHBondContact O-CD2 3.19Å; Y52-H56 VanDerWaalsContact O-CD2 3.29Å; Y52-H56 PolarHBondContact O-N 3.38Å; H56-G58 VanDerWaalsContact C-N 3.29Å; H56-G58 PolarHBondContact O-N 3.13Å; H56-L59 PolarHBondContact O-N 2.95Å; H56-T60 PolarHBondContact O-N 3.37Å; H56-T60 PolarHBondContact O-OG1 3.31Å; H56-T60 VanDerWaalsContact O-OG1 3.13Å
57M72Confident79.4Confident64 Ų6456 Ų5632%0.31529%0.291SS..Hα-helixtrans-60.1-43.5175.5-68.5-171.9-41.200111R12 W53 L59 E61 R217R12-M57 PolarHBondContact NH1-O 2.73Å; W53-M57 HydrophobicContact CB-CG 3.94Å; W53-M57 HydrophobicContact CB-SD 4.07Å; W53-M57 HydrophobicContact CD2-CG 4.4Å; W53-M57 HydrophobicContact CE3-CG 3.76Å; W53-M57 WeakPolarHBondContact O-CB 3.14Å; W53-M57 WeakPolarHBondContact O-CG 3.16Å; W53-M57 PolarHBondContact O-N 3.09Å; M57-L59 PolarHBondContact O-N 3.45Å; M57-E61 WeakPolarHBondContact O-CB 3.22Å; M57-E61 PolarHBondContact O-N 3.34Å; M57-E61 VanDerWaalsContact O-N 3.09Å; M57-R217 PolarHBondContact SD-NH1 3.31Å
58G61.5Low79.2Confident6 Ų655 Ų556%0.06229%0.292CS..Hα-helixtrans-66.6-20.3-177.800000114.5R12 H56R12-G58 WeakPolarHBondContact CD-O 3.46Å; H56-G58 VanDerWaalsContact C-N 3.29Å; H56-G58 PolarHBondContact O-N 3.13Å
59L58.7Low79.1Confident49 Ų4954 Ų5426%0.25729%0.285SS..Hα-helixtrans-96.3-26.3-176.1-63.2173.8000113.3L25 Y34 I55 H56 M57L25-L59 HydrophobicContact CD1-CD1 4.13Å; L25-L59 HydrophobicContact CD1-CD2 3.54Å; L25-L59 HydrophobicContact CD1-CG 4.48Å; L25-L59 HydrophobicContact CD2-CD2 4.14Å; Y34-L59 HydrophobicContact CE2-CD1 3.92Å; I55-L59 HydrophobicContact CG2-CD1 4.4Å; I55-L59 WeakPolarHBondContact O-CG 3.36Å; H56-L59 PolarHBondContact O-N 2.95Å; M57-L59 PolarHBondContact O-N 3.45Å
60T60.7Low79Confident77 Ų7754 Ų5447%0.47229%0.285SS..Hα-helixtrans-132.211.7-170.769.40000114.2H56 G62H56-T60 PolarHBondContact O-N 3.37Å; H56-T60 PolarHBondContact O-OG1 3.31Å; H56-T60 VanDerWaalsContact O-OG1 3.13Å; T60-G62 PolarHBondContact O-N 2.9Å
61E60.8Low79.1Confident79 Ų7949.5 Ų49.537%0.36926%0.264SS..THydrogen-bonded Turntrans-67124.4-179.7-167.8164.2-165.100111.5R12 M57R12-E61 IonicContact CZ-OE2 3.1Å; R12-E61 IonicContact NH1-OE2 2.68Å; R12-E61 PolarHBondContact NH1-OE2 2.64Å; R12-E61 IonicContact NH2-OE2 2.66Å; R12-E61 PolarHBondContact NH2-OE2 3.29Å; M57-E61 WeakPolarHBondContact O-CB 3.22Å; M57-E61 PolarHBondContact O-N 3.34Å; M57-E61 VanDerWaalsContact O-N 3.09Å
62G56.8Low79.1Confident68 Ų6850.4 Ų50.470%0.70127%0.266SS*.THydrogen-bonded Turntrans98-11.817200000115.6T60T60-G62 PolarHBondContact O-N 2.9Å
63E57.8Low78.6Confident172 Ų17253.7 Ų53.780%0.80429%0.288SS*.THydrogen-bonded Turntrans-87.9-28.4-176.2-60.5-154.1146.500114
64E70.1Confident77.6Confident125 Ų12555.2 Ų55.258%0.58430%0.297SS*.  trans-127.6138.1-173.2-62.5-173.9155.700113.7Y66E64-Y66 VanDerWaalsContact C-N 3.33Å; E64-Y66 VanDerWaalsContact CB-O 3.27Å; E64-Y66 WeakPolarHBondContact CB-O 3.23Å
65F83.6Confident76.3Confident56 Ų5662 Ų6225%0.24633%0.326CS..SBendtrans-68.9-32.3174.1-173.9-92.8000112R207 D286 A289 F290F65-R207 PolarHBondContact O-NH2 3.46Å; F65-D286 HydrophobicContact CE2-CB 3.87Å; F65-D286 VanDerWaalsContact CZ-O 3.32Å; F65-D286 WeakPolarHBondContact CZ-O 3.34Å; F65-A289 HydrophobicContact CZ-CB 4.28Å; F65-F290 HydrophobicContact CE1-CB 4.35Å; F65-F290 HydrophobicContact CZ-CB 3.9Å
66Y89.1Confident74.9Confident82 Ų8264.2 Ų64.232%0.32234%0.335SS..SBendtrans-109.6145.5175.6-61.8-65.3000110.1E64 H224 D293E64-Y66 VanDerWaalsContact C-N 3.33Å; E64-Y66 VanDerWaalsContact CB-O 3.27Å; E64-Y66 WeakPolarHBondContact CB-O 3.23Å; Y66-H224 HydrophobicContact CD1-CB 3.85Å; Y66-H224 AromaticContact CD1-CD2 3.93Å; Y66-H224 AromaticContact CD1-CE1 3.85Å; Y66-H224 AromaticContact CD1-CG 3.51Å; Y66-H224 AromaticContact CD1-ND1 3.48Å; Y66-H224 WeakPolarHBondContact CD1-ND1 3.38Å; Y66-H224 HydrophobicContact CE1-CB 4.39Å; Y66-H224 AromaticContact CE1-CD2 3.74Å; Y66-H224 AromaticContact CE1-CE1 3.97Å; Y66-H224 AromaticContact CE1-CG 3.83Å; Y66-H224 AromaticContact CE1-ND1 3.98Å; Y66-H224 AromaticContact CE1-NE2 3.88Å; Y66-D293 WeakPolarHBondContact CE1-OD2 3.41Å; Y66-D293 VanDerWaalsContact OH-CG 3.25Å; Y66-D293 PolarHBondContact OH-OD1 3.45Å; Y66-D293 VanDerWaalsContact OH-OD1 3.09Å; Y66-D293 PolarHBondContact OH-OD2 2.97Å
67E90.6Very high73.1Confident32 Ų3265.7 Ų65.715%0.1535%0.348CS..  trans-107.8147.8-177.8-57.8179.8147.100110.1W53 R211 R217 A221W53-E67 HydrophobicContact CH2-CB 4.05Å; E67-R211 IonicContact OE1-CZ 3.15Å; E67-R211 IonicContact OE1-NE 2.68Å; E67-R211 PolarHBondContact OE1-NE 3.27Å; E67-R211 IonicContact OE1-NH2 3.66Å; E67-R211 PolarHBondContact OE1-NH2 2.68Å; E67-R217 VanDerWaalsContact CD-NE 3.26Å; E67-R217 IonicContact OE1-CZ 3.87Å; E67-R217 IonicContact OE1-NE 2.7Å; E67-R217 PolarHBondContact OE1-NE 3.24Å; E67-R217 IonicContact OE1-NH2 2.87Å; E67-R217 PolarHBondContact OE1-NH2 2.66Å; E67-R217 WeakPolarHBondContact OE2-CG 3.43Å; E67-R217 IonicContact OE2-CZ 3.78Å; E67-R217 IonicContact OE2-NE 2.7Å; E67-R217 PolarHBondContact OE2-NE 3.11Å; E67-R217 IonicContact OE2-NH2 2.93Å; E67-A221 HydrophobicContact CB-CB 4.13Å; E67-A221 WeakPolarHBondContact O-CB 3.42Å
68T90.4Very high71.7Confident76 Ų7669.7 Ų69.747%0.46637%0.366SS..  trans-69.2136175.5-640000111.1
69S93.4Very high70.8Confident3 Ų376.5 Ų76.52%0.02140%0.396CS..  trans-65.8130.4178.1-173.40000111.3Y71 D222S69-Y71 PolarHBondContact O-N 2.9Å; S69-Y71 PolarHBondContact OG-N 3.03Å; S69-D222 WeakPolarHBondContact OG-CB 3.47Å; S69-D222 PolarHBondContact OG-OD1 3.07Å
70P94.6Very high70.2Confident0 Ų080 Ų800%041%0.409CS..  trans-75.6-10.3173.130.7-34.6000113.1R37 C38 L49 Y52 W53 S218R37-P70 CarbonylContact C-O 3.55Å; R37-P70 VanDerWaalsContact CA-O 3.29Å; R37-P70 WeakPolarHBondContact CA-O 3.44Å; R37-P70 WeakPolarHBondContact CD-O 3.43Å; C38-P70 PolarHBondContact N-O 2.9Å; L49-P70 HydrophobicContact CD2-CB 4.02Å; L49-P70 HydrophobicContact CD2-CG 3.67Å; Y52-P70 HydrophobicContact CD1-CB 3.49Å; Y52-P70 VanDerWaalsContact CD1-CB 3.49Å; Y52-P70 HydrophobicContact CD1-CG 4.43Å; Y52-P70 HydrophobicContact CD2-CB 3.8Å; Y52-P70 HydrophobicContact CE1-CB 3.58Å; Y52-P70 HydrophobicContact CE1-CG 4.45Å; Y52-P70 HydrophobicContact CE2-CB 3.89Å; Y52-P70 HydrophobicContact CG-CB 3.58Å; W53-P70 HydrophobicContact CZ2-CG 4.28Å; P70-S218 VanDerWaalsContact CG-CB 3.48Å; P70-S218 WeakPolarHBondContact CG-OG 3.41Å
71Y95.1Very high69.5Low9 Ų983.7 Ų83.74%0.03542%0.415CS..BIsolated β-bridgetrans-82.8150.5-176.4-64.8-74.8000111.4C38 R40 E45 L49 S69 R219 D222C38-Y71 HydrophobicContact CB-CD1 4.12Å; C38-Y71 HydrophobicContact CB-CE1 4.32Å; C38-Y71 CarbonylContact O-C 3.4Å; C38-Y71 VanDerWaalsContact O-CA 3.24Å; C38-Y71 WeakPolarHBondContact O-CA 3.5Å; R40-Y71 HydrophobicContact CG-CD1 3.66Å; R40-Y71 HydrophobicContact CG-CE1 3.72Å; R40-Y71 HydrophobicContact CG-CG 4.12Å; E45-Y71 HydrophobicContact CG-CE1 4.4Å; E45-Y71 VanDerWaalsContact OE1-CE1 3.25Å; E45-Y71 WeakPolarHBondContact OE1-CE1 3.48Å; E45-Y71 PolarHBondContact OE1-OH 2.77Å; L49-Y71 VanDerWaalsContact CD1-OH 3.31Å; L49-Y71 WeakPolarHBondContact CD1-OH 3.28Å; L49-Y71 HydrophobicContact CD2-CE1 4Å; L49-Y71 HydrophobicContact CD2-CE2 4.42Å; S69-Y71 PolarHBondContact O-N 2.9Å; S69-Y71 PolarHBondContact OG-N 3.03Å; Y71-R219 PolarHBondContact OH-NE 3.28Å; Y71-D222 HydrophobicContact CD2-CB 4.04Å
72E90.9Very high68.6Low84 Ų8484.7 Ų84.739%0.39342%0.419SS..PPolyproline II helixtrans-58.5137.1167.6-70.2-179.2-170.300110.1R37 C38 K39 I74R37-E72 HydrophobicContact CB-CB 4.46Å; R37-E72 HydrophobicContact CB-CG 3.51Å; R37-E72 HydrophobicContact CG-CG 4.39Å; C38-E72 PolarHBondContact O-N 3.07Å; K39-E72 WeakPolarHBondContact CE-OE1 3.37Å; K39-E72 WeakPolarHBondContact CE-OE2 3.29Å; K39-E72 HydrophobicContact CG-CG 4.4Å; K39-E72 IonicContact NZ-OE1 3.9Å; K39-E72 IonicContact NZ-OE2 3.72Å; E72-I74 PolarHBondContact O-N 3.02Å
73P82.4Confident67.8Low73 Ų7382.8 Ų82.847%0.47440%0.397SS..PPolyproline II helixtrans-54.6136.4173.1-23.232.7000110.2H75P73-H75 PolarHBondContact O-CD2 3.43Å; P73-H75 VanDerWaalsContact O-CD2 3.24Å; P73-H75 PolarHBondContact O-N 3Å
74I68.8Low67Low44 Ų4478.3 Ų78.323%0.22638%0.384CS..  trans-81.193.8-174.8-51.8169.3000108.4E72 F76 M247E72-I74 PolarHBondContact O-N 3.02Å; I74-F76 HydrophobicContact CG2-CD2 4.38Å; I74-F76 HydrophobicContact CG2-CE2 4.02Å; I74-F76 HydrophobicContact CG2-CZ 4.33Å; I74-F76 PolarHBondContact O-N 2.95Å; I74-M247 HydrophobicContact CB-CE 3.92Å; I74-M247 HydrophobicContact CD1-CB 4.28Å; I74-M247 HydrophobicContact CD1-CE 3.43Å; I74-M247 VanDerWaalsContact CD1-CE 3.43Å; I74-M247 HydrophobicContact CD1-SD 4.06Å; I74-M247 HydrophobicContact CG1-CE 4.23Å; I74-M247 HydrophobicContact CG2-CE 3.43Å; I74-M247 VanDerWaalsContact CG2-CE 3.43Å; I74-M247 HydrophobicContact CG2-SD 4.18Å
75H59.6Low65.7Low162 Ų16278.3 Ų78.375%0.7539%0.387SS*.  trans-83.4101.7172.2-64.1-76.5000109.1P73 S77P73-H75 PolarHBondContact O-CD2 3.43Å; P73-H75 VanDerWaalsContact O-CD2 3.24Å; P73-H75 PolarHBondContact O-N 3Å; H75-S77 PolarHBondContact O-N 2.94Å
76F54.8Low63.6Low64 Ų6481.8 Ų81.828%0.28141%0.407SS..  trans-70.2121.1156.2-72.3-75.7000107I74 F80 I243 M247I74-F76 HydrophobicContact CG2-CD2 4.38Å; I74-F76 HydrophobicContact CG2-CE2 4.02Å; I74-F76 HydrophobicContact CG2-CZ 4.33Å; I74-F76 PolarHBondContact O-N 2.95Å; F76-F80 HydrophobicContact CB-CB 4.05Å; F76-F80 HydrophobicContact CD1-CB 3.99Å; F76-F80 HydrophobicContact CD1-CG 4.37Å; F76-F80 HydrophobicContact CG-CB 4.4Å; F76-I243 HydrophobicContact CE1-CG2 4.39Å; F76-I243 HydrophobicContact CE2-CB 3.73Å; F76-I243 HydrophobicContact CE2-CG2 3.41Å; F76-I243 VanDerWaalsContact CE2-CG2 3.41Å; F76-I243 HydrophobicContact CZ-CB 4.17Å; F76-I243 HydrophobicContact CZ-CG2 3.33Å; F76-M247 HydrophobicContact CE2-CE 3.33Å; F76-M247 HydrophobicContact CE2-SD 4.25Å; F76-M247 HydrophobicContact CZ-CE 3.49Å; F76-M247 VanDerWaalsContact CZ-CE 3.49Å; F76-M247 HydrophobicContact CZ-SD 3.77Å
77S43.6Very low60.9Low55 Ų5581.1 Ų81.139%0.38541%0.414SS..  trans-53.6147.1168.761.70000108.7H75 E79 F80H75-S77 PolarHBondContact O-N 2.94Å; S77-E79 PolarHBondContact O-N 3.23Å; S77-F80 PolarHBondContact O-N 3.28Å; S77-F80 WeakPolarHBondContact OG-CD2 3.37Å
78E42.2Very low58.3Low148 Ų14886.1 Ų86.169%0.69244%0.442SS*.Hα-helixtrans-53.8-17.3-175.2-71.8-179.7135.700114.2F80 R81 H82E78-F80 VanDerWaalsContact C-N 3.33Å; E78-F80 PolarHBondContact O-N 2.65Å; E78-R81 PolarHBondContact O-N 2.81Å; E78-H82 PolarHBondContact O-N 3.17Å; E78-H82 PolarHBondContact O-ND1 3.47Å
79E42.6Very low55.7Low149 Ų14985.3 Ų85.370%0.69644%0.439SS*.Hα-helixtrans-64.1-31.3170.7-76.2151.4154.200113.4S77 A83S77-E79 PolarHBondContact O-N 3.23Å; E79-A83 PolarHBondContact O-N 3.11Å; E79-A83 VanDerWaalsContact O-N 3.08Å
80F46.8Very low53Low121 Ų12189.8 Ų89.853%0.53147%0.471SS..Hα-helixtrans-90.2-21.6178.3-68.2-81.9000113.6F76 S77 E78 H82 A83F76-F80 HydrophobicContact CB-CB 4.05Å; F76-F80 HydrophobicContact CD1-CB 3.99Å; F76-F80 HydrophobicContact CD1-CG 4.37Å; F76-F80 HydrophobicContact CG-CB 4.4Å; S77-F80 PolarHBondContact O-N 3.28Å; S77-F80 WeakPolarHBondContact OG-CD2 3.37Å; E78-F80 VanDerWaalsContact C-N 3.33Å; E78-F80 PolarHBondContact O-N 2.65Å; F80-H82 PolarHBondContact O-N 3.2Å; F80-A83 PolarHBondContact O-N 3.24Å
81R45.5Very low50.4Low155 Ų15595.9 Ų95.959%0.58550%0.503SS*.Hα-helixtrans-63-36.7167.6-81.7-172172.5-163.8-5.8110.7E78E78-R81 PolarHBondContact O-N 2.81Å
82H41.2Very low47.9Very low101 Ų101100.2 Ų100.247%0.46853%0.526SS..Hα-helixtrans-90.8-10.8175.6-60.5101.7000113.8E78 F80 S84 I85 I86E78-H82 PolarHBondContact O-N 3.17Å; E78-H82 PolarHBondContact O-ND1 3.47Å; F80-H82 PolarHBondContact O-N 3.2Å; H82-S84 PolarHBondContact O-N 3.11Å; H82-S84 VanDerWaalsContact O-N 3.17Å; H82-I85 CarbonylContact O-C 3.46Å; H82-I85 WeakPolarHBondContact O-CA 3.46Å; H82-I85 PolarHBondContact O-N 3.07Å; H82-I86 CarbonylContact O-C 3.53Å; H82-I86 WeakPolarHBondContact O-CA 3.42Å; H82-I86 PolarHBondContact O-N 3.36Å
83A39.7Very low45.4Very low28 Ų28102.6 Ų102.623%0.23154%0.535CS..Hα-helixtrans-65.3-16.4170.500000113.1E79 F80E79-A83 PolarHBondContact O-N 3.11Å; E79-A83 VanDerWaalsContact O-N 3.08Å; F80-A83 PolarHBondContact O-N 3.24Å
84S42Very low43.5Very low77 Ų77104.2 Ų104.254%0.53854%0.544SS..THydrogen-bonded Turntrans-80.7-10.7166.1-670000114.1H82 S311H82-S84 PolarHBondContact O-N 3.11Å; H82-S84 VanDerWaalsContact O-N 3.17Å; S84-S311 WeakPolarHBondContact O-CB 3.27Å; S84-S311 PolarHBondContact O-OG 3.15Å
85I42.2Very low42.6Very low125 Ų125110.6 Ų110.664%0.64157%0.565SS**THydrogen-bonded Turntrans-122.7-28.8-176.4-56.4-178.3000112.3H82H82-I85 CarbonylContact O-C 3.46Å; H82-I85 WeakPolarHBondContact O-CA 3.46Å; H82-I85 PolarHBondContact O-N 3.07Å
86I39.4Very low42.3Very low130 Ų130106.5 Ų106.567%0.66755%0.553SS**SBendtrans-158.283.6-176.2-44.7176.9000108.8H82H82-I86 CarbonylContact O-C 3.53Å; H82-I86 WeakPolarHBondContact O-CA 3.42Å; H82-I86 PolarHBondContact O-N 3.36Å
87S33Very low42.5Very low68 Ų68106.4 Ų106.448%0.47656%0.559SS.*  trans-149.4110.8155.6-86.20000110.9S89S87-S89 PolarHBondContact O-N 2.65Å
88D35.6Very low43.1Very low137 Ų137107.6 Ų107.673%0.73357%0.567SS**  trans-68.636.2178.6-134.6-10.5000112.5S90 K93D88-S90 PolarHBondContact O-N 2.82Å; D88-K93 WeakPolarHBondContact OD1-CE 3.4Å; D88-K93 IonicContact OD1-NZ 3.41Å; D88-K93 PolarHBondContact OD1-NZ 3.37Å
89S36.8Very low43.8Very low58 Ų58106.3 Ų106.341%0.40656%0.561SS.*  trans-76.7110.5173.7175.90000108.9S87 L91 L92S87-S89 PolarHBondContact O-N 2.65Å; S89-L91 PolarHBondContact O-N 3.36Å; S89-L92 PolarHBondContact O-N 2.9Å; S89-L92 VanDerWaalsContact O-N 3.1Å
90S35.7Very low44.3Very low97 Ų97104.5 Ų104.568%0.67857%0.572SS**THydrogen-bonded Turntrans-48.6-5.7177.5-178.20000116.2D88D88-S90 PolarHBondContact O-N 2.82Å
91L40.5Very low44.9Very low128 Ų128102.8 Ų102.867%0.6759%0.589SS**THydrogen-bonded Turntrans-99.6-24.6179.9-63.1178.3000113.8S89 K93 T94S89-L91 PolarHBondContact O-N 3.36Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-T94 PolarHBondContact O-OG1 3.27Å
92L41.7Very low45.7Very low100 Ų100102 Ų10252%0.52459%0.59SS.*THydrogen-bonded Turntrans-82.4-13.9169.6-69.5171.5000112.4S89 T94S89-L92 PolarHBondContact O-N 2.9Å; S89-L92 VanDerWaalsContact O-N 3.1Å; L92-T94 PolarHBondContact O-N 3.1Å; L92-T94 VanDerWaalsContact O-N 3.15Å
93K39.4Very low46.8Very low134 Ų134103.8 Ų103.858%0.58361%0.61SS**THydrogen-bonded Turntrans-70.64.4171-85.9-178-175.4164.30114.4D88 L91 R95D88-K93 WeakPolarHBondContact OD1-CE 3.4Å; D88-K93 IonicContact OD1-NZ 3.41Å; D88-K93 PolarHBondContact OD1-NZ 3.37Å; L91-K93 VanDerWaalsContact C-N 3.34Å; K93-R95 PolarHBondContact O-N 2.78Å
94T42.4Very low48.6Very low107 Ų107104.5 Ų104.566%0.65661%0.613SS**  trans-76.876.8164.7-31.10000107.3L91 L92 P96L91-T94 PolarHBondContact O-OG1 3.27Å; L92-T94 PolarHBondContact O-N 3.1Å; L92-T94 VanDerWaalsContact O-N 3.15Å; T94-P96 VanDerWaalsContact O-CD 3.25Å; T94-P96 WeakPolarHBondContact O-CD 3.46Å
95R49.6Very low50.8Low178 Ų178102 Ų10267%0.67259%0.594SS**  trans-55121.2168.9-58.7174.3164.5-176.6-8105.5K93 C97 S98K93-R95 PolarHBondContact O-N 2.78Å; R95-C97 PolarHBondContact O-N 3.48Å; R95-C97 VanDerWaalsContact O-N 3.13Å; R95-S98 VanDerWaalsContact CB-OG 3.31Å; R95-S98 WeakPolarHBondContact CB-OG 3.47Å; R95-S98 PolarHBondContact O-N 2.81Å; R95-S98 VanDerWaalsContact O-N 3.16Å; R95-S98 PolarHBondContact O-OG 3.16Å
96P53.2Low53.1Low77 Ų7797 Ų9750%0.557%0.569SS.*THydrogen-bonded Turntrans-50.8128.2162.5-16.128.5000104.9T94 P106T94-P96 VanDerWaalsContact O-CD 3.25Å; T94-P96 WeakPolarHBondContact O-CD 3.46Å; P96-P106 HydrophobicContact CB-CB 3.95Å; P96-P106 HydrophobicContact CB-CG 4.15Å
97C60.3Low55.7Low62 Ų6291 Ų9142%0.41954%0.538SS..THydrogen-bonded Turntrans76.429.8-178.4-30.80000117.9R95 E99 C104R95-C97 PolarHBondContact O-N 3.48Å; R95-C97 VanDerWaalsContact O-N 3.13Å; C97-E99 PolarHBondContact O-N 3.31Å; C97-E99 VanDerWaalsContact O-N 3.14Å; C97-C104 WeakPolarHBondContact CA-SG 3.33Å; C97-C104 HydrophobicContact CB-CB 3.41Å; C97-C104 VanDerWaalsContact CB-CB 3.41Å; C97-C104 WeakPolarHBondContact CB-SG 3.38Å; C97-C104 PolarHBondContact N-SG 3.08Å; C97-C104 VanDerWaalsContact N-SG 3.37Å; C97-C104 WeakPolarHBondContact SG-CB 3.18Å; C97-C104 CovalentContact SG-SG 1.97Å; C97-C104 PolarHBondContact SG-SG 3.35Å
98S56Low58.6Low79 Ų7989.6 Ų89.655%0.55253%0.527SS*.  trans-61.2-19.2176.9-59.90000115R95R95-S98 VanDerWaalsContact CB-OG 3.31Å; R95-S98 WeakPolarHBondContact CB-OG 3.47Å; R95-S98 PolarHBondContact O-N 2.81Å; R95-S98 VanDerWaalsContact O-N 3.16Å; R95-S98 PolarHBondContact O-OG 3.16Å
99E57.4Low61.3Low121 Ų12185.3 Ų85.357%0.56550%0.504SS*.SBendtrans-94.4109.1-177.7-69.5-174.7158.300111.7C97 G101 K102C97-E99 PolarHBondContact O-N 3.31Å; C97-E99 VanDerWaalsContact O-N 3.14Å; E99-G101 PolarHBondContact O-N 3.1Å; E99-K102 IonicContact OE1-NZ 3.15Å; E99-K102 VanDerWaalsContact OE2-CD 3.31Å; E99-K102 WeakPolarHBondContact OE2-CD 3.45Å; E99-K102 VanDerWaalsContact OE2-CE 3.32Å; E99-K102 WeakPolarHBondContact OE2-CE 3.27Å; E99-K102 IonicContact OE2-NZ 2.79Å; E99-K102 PolarHBondContact OE2-NZ 2.84Å
100A52.8Low64Low112 Ų11283 Ų8393%0.92649%0.488SS*.THydrogen-bonded Turntrans-59.6128.1172.100000110.8
101G58.6Low66.9Low85 Ų8579 Ų7988%0.87646%0.461SS*.THydrogen-bonded Turntrans100.7-1.517200000116.8E99E99-G101 PolarHBondContact O-N 3.1Å
102K61.5Low69.5Low139 Ų13978.4 Ų78.460%0.60445%0.453SS*.SBendtrans-104142.4170.6-69.8-177.6-171.2163.30111.5E99 C104E99-K102 IonicContact OE1-NZ 3.15Å; E99-K102 VanDerWaalsContact OE2-CD 3.31Å; E99-K102 WeakPolarHBondContact OE2-CD 3.45Å; E99-K102 VanDerWaalsContact OE2-CE 3.32Å; E99-K102 WeakPolarHBondContact OE2-CE 3.27Å; E99-K102 IonicContact OE2-NZ 2.79Å; E99-K102 PolarHBondContact OE2-NZ 2.84Å; K102-C104 PolarHBondContact O-N 3.04Å; K102-C104 VanDerWaalsContact O-N 3.07Å
103P65.9Low72Confident137 Ų13775.7 Ų75.789%0.8945%0.445SS*.  trans-60.2115.517023.7-30.7000108.9
104C76.7Confident74.7Confident43 Ų4369.3 Ų69.329%0.29142%0.418SS..  trans-94.4136.1-175.8-174.90000112.1C97 K102C97-C104 WeakPolarHBondContact CA-SG 3.33Å; C97-C104 HydrophobicContact CB-CB 3.41Å; C97-C104 VanDerWaalsContact CB-CB 3.41Å; C97-C104 WeakPolarHBondContact CB-SG 3.38Å; C97-C104 PolarHBondContact N-SG 3.08Å; C97-C104 VanDerWaalsContact N-SG 3.37Å; C97-C104 WeakPolarHBondContact SG-CB 3.18Å; C97-C104 CovalentContact SG-SG 1.97Å; C97-C104 PolarHBondContact SG-SG 3.35Å; K102-C104 PolarHBondContact O-N 3.04Å; K102-C104 VanDerWaalsContact O-N 3.07Å
105N88.1Confident77.3Confident26 Ų2671.3 Ų71.314%0.13941%0.414CS..  trans-133.6103171.9-177.5-44.8000108.8C107 V108 D109 C181N105-C107 PolarHBondContact O-N 2.98Å; N105-C107 VanDerWaalsContact O-N 3.15Å; N105-C107 WeakPolarHBondContact OD1-CB 3.27Å; N105-C107 PolarHBondContact OD1-N 3.32Å; N105-C107 VanDerWaalsContact OD1-N 3.12Å; N105-V108 HydrophobicContact CB-CB 3.97Å; N105-V108 HydrophobicContact CB-CG2 3.79Å; N105-V108 WeakPolarHBondContact O-CA 3.48Å; N105-V108 WeakPolarHBondContact O-CB 3.14Å; N105-V108 PolarHBondContact O-N 2.66Å; N105-V108 PolarHBondContact OD1-N 3.33Å; N105-D109 PolarHBondContact O-N 2.77Å; N105-D109 VanDerWaalsContact O-N 3.08Å; N105-C181 WeakPolarHBondContact ND2-CA 3.31Å; N105-C181 VanDerWaalsContact ND2-CB 3.33Å; N105-C181 WeakPolarHBondContact ND2-CB 3.32Å; N105-C181 PolarHBondContact OD1-SG 3.33Å
106P90.7Very high79.6Confident19 Ų1969.7 Ų69.712%0.12342%0.418CS..Hα-helixtrans-55.5-34-177.3-29.136.7000113.7P96 V108 D109 A110 C174 S175P96-P106 HydrophobicContact CB-CB 3.95Å; P96-P106 HydrophobicContact CB-CG 4.15Å; P106-V108 VanDerWaalsContact C-N 3.35Å; P106-V108 PolarHBondContact O-N 3.46Å; P106-D109 PolarHBondContact O-N 2.96Å; P106-A110 WeakPolarHBondContact O-CB 3.26Å; P106-A110 PolarHBondContact O-N 3.41Å; P106-C174 HydrophobicContact CB-CB 4.06Å; P106-S175 WeakPolarHBondContact CG-O 3.34Å
107C94.3Very high81.7Confident3 Ų369 Ų692%0.0241%0.41CS..Hα-helixtrans-69.4-31176.1-55.40000113N105 A111 C174 C176 C181 R184N105-C107 PolarHBondContact O-N 2.98Å; N105-C107 VanDerWaalsContact O-N 3.15Å; N105-C107 WeakPolarHBondContact OD1-CB 3.27Å; N105-C107 PolarHBondContact OD1-N 3.32Å; N105-C107 VanDerWaalsContact OD1-N 3.12Å; C107-A111 WeakPolarHBondContact O-CB 3.24Å; C107-A111 PolarHBondContact O-N 2.79Å; C107-A111 VanDerWaalsContact O-N 3.11Å; C107-C174 WeakPolarHBondContact CA-SG 3.25Å; C107-C174 HydrophobicContact CB-CB 3.89Å; C107-C174 WeakPolarHBondContact CB-SG 3.46Å; C107-C174 WeakPolarHBondContact SG-CB 3.31Å; C107-C174 CovalentContact SG-SG 2.01Å; C107-C174 PolarHBondContact SG-SG 3.11Å; C107-C176 PolarHBondContact SG-SG 3.2Å; C107-C181 PolarHBondContact SG-SG 3.02Å; C107-R184 HydrophobicContact CB-CB 4.41Å; C107-R184 HydrophobicContact CB-CG 3.93Å
108V94.1Very high83.5Confident40 Ų4072.7 Ų72.724%0.24242%0.421CS..Hα-helixtrans-70.7-41.7172.8171.60000110.1N105 P106 A111 K112 R184N105-V108 HydrophobicContact CB-CB 3.97Å; N105-V108 HydrophobicContact CB-CG2 3.79Å; N105-V108 WeakPolarHBondContact O-CA 3.48Å; N105-V108 WeakPolarHBondContact O-CB 3.14Å; N105-V108 PolarHBondContact O-N 2.66Å; N105-V108 PolarHBondContact OD1-N 3.33Å; P106-V108 VanDerWaalsContact C-N 3.35Å; P106-V108 PolarHBondContact O-N 3.46Å; V108-A111 WeakPolarHBondContact O-CA 3.27Å; V108-A111 WeakPolarHBondContact O-CB 3.32Å; V108-A111 PolarHBondContact O-N 2.66Å; V108-A111 VanDerWaalsContact O-N 3.13Å; V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 3.3Å; V108-R184 VanDerWaalsContact CG2-NE 3.33Å
109D91.5Very high85.5Confident47 Ų4771.8 Ų71.825%0.25141%0.413SS..Hα-helixtrans-68.3-40.8179.5-66.7-22.9000111.7N105 P106 A111 K112 A113N105-D109 PolarHBondContact O-N 2.77Å; N105-D109 VanDerWaalsContact O-N 3.08Å; P106-D109 PolarHBondContact O-N 2.96Å; D109-A111 VanDerWaalsContact C-N 3.26Å; D109-A111 PolarHBondContact O-N 2.89Å; D109-K112 WeakPolarHBondContact O-CB 3.5Å; D109-K112 PolarHBondContact O-N 2.65Å; D109-K112 VanDerWaalsContact O-N 3.11Å; D109-K112 IonicContact OD1-NZ 3.75Å; D109-K112 PolarHBondContact OD1-NZ 3.03Å; D109-A113 PolarHBondContact O-N 2.96Å
110A94.2Very high87.4Confident9 Ų966 Ų667%0.07439%0.386CS..Hα-helixtrans-56.5-41.3168.300000111.9P106 K112 A113 C114 P170 L171P106-A110 WeakPolarHBondContact O-CB 3.26Å; P106-A110 PolarHBondContact O-N 3.41Å; A110-K112 PolarHBondContact O-N 3.41Å; A110-A113 PolarHBondContact O-N 3.16Å; A110-C114 WeakPolarHBondContact O-CB 3.4Å; A110-C114 PolarHBondContact O-N 3.23Å; A110-P170 VanDerWaalsContact CB-C 3.48Å; A110-P170 HydrophobicContact CB-CB 3.6Å; A110-P170 WeakPolarHBondContact CB-O 3.18Å; A110-L171 HydrophobicContact CB-CD2 3.95Å; A110-L171 HydrophobicContact CB-CG 4.38Å
111A95.9Very high89.6Confident12 Ų1265.3 Ų65.310%0.09936%0.359CS..Hα-helixtrans-64.5-37.7176.600000112.8C107 V108 D109 Y115 R124 L171C107-A111 WeakPolarHBondContact O-CB 3.24Å; C107-A111 PolarHBondContact O-N 2.79Å; C107-A111 VanDerWaalsContact O-N 3.11Å; V108-A111 WeakPolarHBondContact O-CA 3.27Å; V108-A111 WeakPolarHBondContact O-CB 3.32Å; V108-A111 PolarHBondContact O-N 2.66Å; V108-A111 VanDerWaalsContact O-N 3.13Å; D109-A111 VanDerWaalsContact C-N 3.26Å; D109-A111 PolarHBondContact O-N 2.89Å; A111-Y115 WeakPolarHBondContact O-CB 3.38Å; A111-Y115 PolarHBondContact O-N 2.64Å; A111-Y115 VanDerWaalsContact O-N 3.12Å; A111-R124 VanDerWaalsContact CA-NH1 3.34Å; A111-R124 VanDerWaalsContact CB-NH1 3.34Å; A111-R124 PolarHBondContact O-NH1 3.02Å; A111-L171 HydrophobicContact CB-CD2 4.15Å
112K95.1Very high91.5Very high116 Ų11667.6 Ų67.650%0.50434%0.341SS..Hα-helixtrans-67.1-46.8173.8-67.4171.1-170.1153.50111.2V108 D109 A110 C114 Y115 L116V108-K112 WeakPolarHBondContact O-CG 3.45Å; V108-K112 PolarHBondContact O-N 3.3Å; D109-K112 WeakPolarHBondContact O-CB 3.5Å; D109-K112 PolarHBondContact O-N 2.65Å; D109-K112 VanDerWaalsContact O-N 3.11Å; D109-K112 IonicContact OD1-NZ 3.75Å; D109-K112 PolarHBondContact OD1-NZ 3.03Å; A110-K112 PolarHBondContact O-N 3.41Å; K112-C114 VanDerWaalsContact C-N 3.33Å; K112-C114 PolarHBondContact O-N 3.33Å; K112-Y115 WeakPolarHBondContact O-CA 3.25Å; K112-Y115 WeakPolarHBondContact O-CB 3.34Å; K112-Y115 PolarHBondContact O-N 2.97Å; K112-L116 WeakPolarHBondContact O-CG 3.4Å; K112-L116 PolarHBondContact O-N 2.91Å
113A94.3Very high93.2Very high44 Ų4461.4 Ų61.436%0.36432%0.315SS..Hα-helixtrans-57.3-45.9178.100000111.6D109 A110 Y115 L116 N117 L167D109-A113 PolarHBondContact O-N 2.96Å; A110-A113 PolarHBondContact O-N 3.16Å; A113-Y115 VanDerWaalsContact C-N 3.31Å; A113-Y115 PolarHBondContact O-N 3.48Å; A113-L116 PolarHBondContact O-N 2.54Å; A113-N117 PolarHBondContact O-N 2.83Å; A113-L167 HydrophobicContact CB-CD2 4.15Å
114C96.8Very high94.8Very high0 Ų057.2 Ų57.20%028%0.281CS..Hα-helixtrans-62-35.8173.51780000113.1A110 K112 L116 N117 C120 R121 L171A110-C114 WeakPolarHBondContact O-CB 3.4Å; A110-C114 PolarHBondContact O-N 3.23Å; K112-C114 VanDerWaalsContact C-N 3.33Å; K112-C114 PolarHBondContact O-N 3.33Å; C114-L116 VanDerWaalsContact C-N 3.34Å; C114-N117 PolarHBondContact O-N 3.46Å; C114-C120 VanDerWaalsContact CA-SG 3.56Å; C114-C120 HydrophobicContact CB-CB 4.04Å; C114-C120 WeakPolarHBondContact CB-SG 3.35Å; C114-C120 WeakPolarHBondContact O-CB 3.45Å; C114-C120 VanDerWaalsContact SG-C 3.52Å; C114-C120 WeakPolarHBondContact SG-CB 3.02Å; C114-C120 CovalentContact SG-SG 2.03Å; C114-C120 PolarHBondContact SG-SG 3.37Å; C114-R121 PolarHBondContact O-N 3.49Å; C114-R121 VanDerWaalsContact O-N 3.17Å; C114-L171 HydrophobicContact CB-CD1 4.09Å; C114-L171 HydrophobicContact CB-CD2 4.36Å
115Y96.6Very high95.8Very high148 Ų14857.9 Ų57.958%0.5829%0.286SS*.Hα-helixtrans-68.7-32.2178.7-179.3-96000113A111 K112 A113 N117 R121A111-Y115 WeakPolarHBondContact O-CB 3.38Å; A111-Y115 PolarHBondContact O-N 2.64Å; A111-Y115 VanDerWaalsContact O-N 3.12Å; K112-Y115 WeakPolarHBondContact O-CA 3.25Å; K112-Y115 WeakPolarHBondContact O-CB 3.34Å; K112-Y115 PolarHBondContact O-N 2.97Å; A113-Y115 VanDerWaalsContact C-N 3.31Å; A113-Y115 PolarHBondContact O-N 3.48Å; Y115-N117 VanDerWaalsContact C-N 3.33Å; Y115-R121 HydrophobicContact CD2-CG 3.96Å; Y115-R121 HydrophobicContact CE2-CG 4.27Å; Y115-R121 WeakPolarHBondContact O-CD 3.41Å; Y115-R121 PolarHBondContact O-NH1 3.27Å
116L96.9Very high96.2Very high144 Ų14458.6 Ų58.675%0.75430%0.296SS*.Hα-helixtrans-72.6-26.5175.9-66.6172.6000112.5K112 A113 C114K112-L116 WeakPolarHBondContact O-CG 3.4Å; K112-L116 PolarHBondContact O-N 2.91Å; A113-L116 PolarHBondContact O-N 2.54Å; C114-L116 VanDerWaalsContact C-N 3.34Å
117N97.6Very high96.5Very high64 Ų6457.8 Ų57.834%0.34229%0.29SS..SBendtrans-86.6123.7173.9-177.8-84.9000111.8A113 C114 Y115 T119 C120 R121 L167A113-N117 PolarHBondContact O-N 2.83Å; C114-N117 PolarHBondContact O-N 3.46Å; Y115-N117 VanDerWaalsContact C-N 3.33Å; N117-T119 PolarHBondContact O-N 2.91Å; N117-T119 PolarHBondContact OD1-N 3.37Å; N117-C120 HydrophobicContact CB-CB 3.99Å; N117-C120 PolarHBondContact O-N 3.03Å; N117-C120 PolarHBondContact OD1-N 3.23Å; N117-R121 VanDerWaalsContact O-CB 3.26Å; N117-R121 WeakPolarHBondContact O-CB 3.37Å; N117-R121 PolarHBondContact O-N 3.19Å; N117-L167 HydrophobicContact CB-CD1 3.51Å; N117-L167 VanDerWaalsContact CG-CD1 3.43Å
118E97.8Very high96.6Very high138 Ų13859.8 Ų59.865%0.64530%0.301SS*.Hα-helixtrans-61-46.6-175.5-172.1-179.6175.300113.5R122E118-R122 VanDerWaalsContact O-CB 3.23Å; E118-R122 WeakPolarHBondContact O-CB 3.43Å; E118-R122 PolarHBondContact O-N 3.24Å
119T98Very high96.6Very high61 Ų6162.1 Ų62.137%0.37431%0.311SS..Hα-helixtrans-63.6-46179.9-63.20000111N117 R122 L123N117-T119 PolarHBondContact O-N 2.91Å; N117-T119 PolarHBondContact OD1-N 3.37Å; T119-R122 PolarHBondContact O-N 3.16Å; T119-L123 HydrophobicContact CG2-CD1 3.85Å; T119-L123 WeakPolarHBondContact O-CB 3.22Å; T119-L123 WeakPolarHBondContact O-CG 3.25Å; T119-L123 PolarHBondContact O-N 3.17Å
120C98.4Very high96.7Very high0 Ų062.8 Ų62.80%031%0.314CS..Hα-helixtrans-63.3-50.8178.4-166.40000111.2C114 N117 R122 L123 R124 V163 L167C114-C120 VanDerWaalsContact CA-SG 3.56Å; C114-C120 HydrophobicContact CB-CB 4.04Å; C114-C120 WeakPolarHBondContact CB-SG 3.35Å; C114-C120 WeakPolarHBondContact O-CB 3.45Å; C114-C120 VanDerWaalsContact SG-C 3.52Å; C114-C120 WeakPolarHBondContact SG-CB 3.02Å; C114-C120 CovalentContact SG-SG 2.03Å; C114-C120 PolarHBondContact SG-SG 3.37Å; N117-C120 HydrophobicContact CB-CB 3.99Å; N117-C120 PolarHBondContact O-N 3.03Å; N117-C120 PolarHBondContact OD1-N 3.23Å; C120-R122 VanDerWaalsContact C-N 3.35Å; C120-R122 PolarHBondContact O-N 2.64Å; C120-L123 PolarHBondContact O-N 3.37Å; C120-R124 WeakPolarHBondContact O-CB 3.03Å; C120-R124 PolarHBondContact O-N 3.26Å; C120-V163 HydrophobicContact CB-CG1 3.86Å; C120-V163 HydrophobicContact CB-CG2 4.35Å; C120-V163 VanDerWaalsContact SG-CG1 3.54Å; C120-L167 HydrophobicContact CB-CD1 4.05Å
121R98.4Very high96.7Very high96 Ų9662.5 Ų62.536%0.36231%0.311SS..Hα-helixtrans-54.1-49.7176.3-179.217962.1-153.23.8111.7C114 Y115 N117 S125C114-R121 PolarHBondContact O-N 3.49Å; C114-R121 VanDerWaalsContact O-N 3.17Å; Y115-R121 HydrophobicContact CD2-CG 3.96Å; Y115-R121 HydrophobicContact CE2-CG 4.27Å; Y115-R121 WeakPolarHBondContact O-CD 3.41Å; Y115-R121 PolarHBondContact O-NH1 3.27Å; N117-R121 VanDerWaalsContact O-CB 3.26Å; N117-R121 WeakPolarHBondContact O-CB 3.37Å; N117-R121 PolarHBondContact O-N 3.19Å; R121-S125 WeakPolarHBondContact O-CB 3.43Å; R121-S125 PolarHBondContact O-N 3.09Å; R121-S125 PolarHBondContact O-OG 3.05Å; R121-S125 VanDerWaalsContact O-OG 3.08Å
122R98.5Very high96.3Very high134 Ų13467 Ų6751%0.50633%0.334SS..Hα-helixtrans-63.6-49.5-177.2-174.7-176.459.770.55.4111.8E118 T119 C120 A126E118-R122 VanDerWaalsContact O-CB 3.23Å; E118-R122 WeakPolarHBondContact O-CB 3.43Å; E118-R122 PolarHBondContact O-N 3.24Å; T119-R122 PolarHBondContact O-N 3.16Å; C120-R122 VanDerWaalsContact C-N 3.35Å; C120-R122 PolarHBondContact O-N 2.64Å; R122-A126 WeakPolarHBondContact O-CB 3.42Å; R122-A126 PolarHBondContact O-N 3.2Å
123L98.5Very high95.3Very high9 Ų968.2 Ų68.25%0.04734%0.339CS..Hα-helixtrans-69.7-35.4-179.4-69.1174.4000112T119 C120 A126 Y127 F159 R162 V163T119-L123 HydrophobicContact CG2-CD1 3.85Å; T119-L123 WeakPolarHBondContact O-CB 3.22Å; T119-L123 WeakPolarHBondContact O-CG 3.25Å; T119-L123 PolarHBondContact O-N 3.17Å; C120-L123 PolarHBondContact O-N 3.37Å; L123-A126 WeakPolarHBondContact O-CB 3.41Å; L123-A126 PolarHBondContact O-N 3.27Å; L123-Y127 WeakPolarHBondContact O-CD1 3.42Å; L123-Y127 PolarHBondContact O-N 2.92Å; L123-Y127 VanDerWaalsContact O-N 3.08Å; L123-F159 HydrophobicContact CB-CD2 3.83Å; L123-R162 HydrophobicContact CD1-CB 3.57Å; L123-V163 HydrophobicContact CB-CG2 4.2Å; L123-V163 HydrophobicContact CD1-CG2 3.72Å
124R98.3Very high93.7Very high48 Ų4868 Ų6818%0.18134%0.34CS..Hα-helixtrans-62.6-48.4174.5-174.2173-179.1-159.74112.1A111 C120 A126 Y127 N128 F159A111-R124 VanDerWaalsContact CA-NH1 3.34Å; A111-R124 VanDerWaalsContact CB-NH1 3.34Å; A111-R124 PolarHBondContact O-NH1 3.02Å; C120-R124 WeakPolarHBondContact O-CB 3.03Å; C120-R124 PolarHBondContact O-N 3.26Å; R124-A126 VanDerWaalsContact C-N 3.29Å; R124-A126 PolarHBondContact O-N 3.21Å; R124-Y127 VanDerWaalsContact CA-CE1 3.42Å; R124-Y127 HydrophobicContact CB-CE1 3.99Å; R124-Y127 HydrophobicContact CG-CE1 3.75Å; R124-Y127 WeakPolarHBondContact O-CD1 3.06Å; R124-N128 VanDerWaalsContact O-CB 3.31Å; R124-N128 WeakPolarHBondContact O-CB 3.45Å; R124-N128 VanDerWaalsContact O-CG 3.22Å; R124-N128 PolarHBondContact O-N 3.36Å; R124-N128 PolarHBondContact O-ND2 3.2Å; R124-N128 VanDerWaalsContact O-ND2 3.12Å; R124-F159 HydrophobicContact CB-CD2 4.32Å; R124-F159 HydrophobicContact CB-CE2 3.82Å
125S97.6Very high91.6Very high58 Ų5871.8 Ų71.841%0.40636%0.364SS..Hα-helixtrans-60.4-40.1174.1-66.80000111.8R121 N128 I129R121-S125 WeakPolarHBondContact O-CB 3.43Å; R121-S125 PolarHBondContact O-N 3.09Å; R121-S125 PolarHBondContact O-OG 3.05Å; R121-S125 VanDerWaalsContact O-OG 3.08Å; S125-N128 PolarHBondContact O-N 3.36Å; S125-I129 WeakPolarHBondContact O-CB 3.38Å; S125-I129 WeakPolarHBondContact O-CD1 3.29Å; S125-I129 VanDerWaalsContact O-CG1 3.25Å; S125-I129 WeakPolarHBondContact O-CG1 3.43Å; S125-I129 PolarHBondContact O-N 3.23Å
126A96.6Very high89.3Confident40 Ų4069.8 Ų69.833%0.33137%0.369SS..Hα-helixtrans-61-51.6179.700000112.6R122 L123 R124 N128 I129 I130R122-A126 WeakPolarHBondContact O-CB 3.42Å; R122-A126 PolarHBondContact O-N 3.2Å; L123-A126 WeakPolarHBondContact O-CB 3.41Å; L123-A126 PolarHBondContact O-N 3.27Å; R124-A126 VanDerWaalsContact C-N 3.29Å; R124-A126 PolarHBondContact O-N 3.21Å; A126-N128 VanDerWaalsContact C-N 3.35Å; A126-N128 PolarHBondContact O-N 2.03Å; A126-I129 PolarHBondContact O-N 2.84Å; A126-I130 WeakPolarHBondContact O-CD1 3.48Å; A126-I130 VanDerWaalsContact O-CG1 3.32Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.15Å
127Y97.4Very high87Confident3 Ų368.4 Ų68.41%0.01237%0.369CS..Hα-helixtrans-67.3-37.7177.982.2-109.6000111.3L123 R124 I129 I130 C131 L156 F159 T188 I190L123-Y127 WeakPolarHBondContact O-CD1 3.42Å; L123-Y127 PolarHBondContact O-N 2.92Å; L123-Y127 VanDerWaalsContact O-N 3.08Å; R124-Y127 VanDerWaalsContact CA-CE1 3.42Å; R124-Y127 HydrophobicContact CB-CE1 3.99Å; R124-Y127 HydrophobicContact CG-CE1 3.75Å; R124-Y127 WeakPolarHBondContact O-CD1 3.06Å; Y127-I129 VanDerWaalsContact C-N 3.32Å; Y127-I129 PolarHBondContact O-N 3.22Å; Y127-I130 PolarHBondContact O-N 2.78Å; Y127-C131 VanDerWaalsContact O-CB 3.29Å; Y127-C131 WeakPolarHBondContact O-CB 3.46Å; Y127-C131 PolarHBondContact O-N 3.28Å; Y127-C131 PolarHBondContact O-SG 3.35Å; Y127-L156 HydrophobicContact CD1-CD2 4.4Å; Y127-L156 HydrophobicContact CD2-CD2 3.66Å; Y127-L156 HydrophobicContact CD2-CG 4.47Å; Y127-L156 HydrophobicContact CE2-CD2 3.95Å; Y127-L156 HydrophobicContact CG-CD2 3.95Å; Y127-F159 HydrophobicContact CD1-CB 3.83Å; Y127-F159 HydrophobicContact CD1-CD1 4.39Å; Y127-F159 AromaticContact CD1-CD2 3.89Å; Y127-F159 HydrophobicContact CD1-CD2 3.89Å; Y127-F159 AromaticContact CD1-CG 3.77Å; Y127-F159 HydrophobicContact CD1-CG 3.77Å; Y127-F159 HydrophobicContact CE1-CB 4.28Å; Y127-F159 AromaticContact CE1-CD1 3.98Å; Y127-F159 HydrophobicContact CE1-CD1 3.98Å; Y127-F159 AromaticContact CE1-CD2 3.73Å; Y127-F159 HydrophobicContact CE1-CD2 3.73Å; Y127-F159 HydrophobicContact CE1-CE1 4.27Å; Y127-F159 HydrophobicContact CE1-CE2 4.04Å; Y127-F159 AromaticContact CE1-CG 3.71Å; Y127-F159 HydrophobicContact CE1-CG 3.71Å; Y127-F159 HydrophobicContact CE1-CZ 4.3Å; Y127-T188 PolarHBondContact OH-O 2.68Å; Y127-I190 HydrophobicContact CD2-CD1 4.21Å; Y127-I190 HydrophobicContact CE2-CD1 4.16Å
128N95.6Very high84.6Confident45 Ų4573.6 Ų73.624%0.24139%0.391CS..Hα-helixtrans-58.4-44.1177.2-80.2-31.2000111.9R124 S125 A126 N132 I190R124-N128 VanDerWaalsContact O-CB 3.31Å; R124-N128 WeakPolarHBondContact O-CB 3.45Å; R124-N128 VanDerWaalsContact O-CG 3.22Å; R124-N128 PolarHBondContact O-N 3.36Å; R124-N128 PolarHBondContact O-ND2 3.2Å; R124-N128 VanDerWaalsContact O-ND2 3.12Å; S125-N128 PolarHBondContact O-N 3.36Å; A126-N128 VanDerWaalsContact C-N 3.35Å; A126-N128 PolarHBondContact O-N 2.03Å; N128-N132 WeakPolarHBondContact O-CB 3.27Å; N128-N132 VanDerWaalsContact O-CG 3.31Å; N128-N132 PolarHBondContact O-N 3.26Å; N128-N132 PolarHBondContact O-ND2 3.37Å; N128-I190 HydrophobicContact CB-CD1 4.39Å; N128-I190 VanDerWaalsContact OD1-CD1 3.29Å; N128-I190 WeakPolarHBondContact OD1-CD1 3.04Å
129I93.8Very high82.4Confident89 Ų8970.2 Ų70.246%0.45639%0.387SS..Hα-helixtrans-64.4-43178.1-71.1165.4000110.6S125 A126 Y127 K133S125-I129 WeakPolarHBondContact O-CB 3.38Å; S125-I129 WeakPolarHBondContact O-CD1 3.29Å; S125-I129 VanDerWaalsContact O-CG1 3.25Å; S125-I129 WeakPolarHBondContact O-CG1 3.43Å; S125-I129 PolarHBondContact O-N 3.23Å; A126-I129 PolarHBondContact O-N 2.84Å; Y127-I129 VanDerWaalsContact C-N 3.32Å; Y127-I129 PolarHBondContact O-N 3.22Å; I129-K133 HydrophobicContact CG2-CD 3.83Å; I129-K133 HydrophobicContact CG2-CG 4.44Å; I129-K133 VanDerWaalsContact O-CB 3.24Å; I129-K133 WeakPolarHBondContact O-CB 3.22Å; I129-K133 WeakPolarHBondContact O-CD 3.29Å; I129-K133 WeakPolarHBondContact O-CG 3.45Å; I129-K133 PolarHBondContact O-N 3.43Å; I129-K133 VanDerWaalsContact O-N 3.14Å
130I93.9Very high79.9Confident60 Ų6074 Ų7431%0.30841%0.412SS..Hα-helixtrans-68.6-42.4-177.8-66.9165.1000111.5A126 Y127 R151 C152 A155A126-I130 WeakPolarHBondContact O-CD1 3.48Å; A126-I130 VanDerWaalsContact O-CG1 3.32Å; A126-I130 WeakPolarHBondContact O-CG1 3.38Å; A126-I130 PolarHBondContact O-N 3.15Å; Y127-I130 PolarHBondContact O-N 2.78Å; I130-R151 HydrophobicContact CG2-CB 3.72Å; I130-C152 HydrophobicContact CG2-CB 4.39Å; I130-A155 HydrophobicContact CD1-CB 3.71Å
131C93.7Very high77.8Confident3 Ų376.8 Ų76.82%0.0244%0.435CS..Hα-helixtrans-81.3-27.1-175.3-60.60000113.3Y127 C152 I190 C193Y127-C131 VanDerWaalsContact O-CB 3.29Å; Y127-C131 WeakPolarHBondContact O-CB 3.46Å; Y127-C131 PolarHBondContact O-N 3.28Å; Y127-C131 PolarHBondContact O-SG 3.35Å; C131-C152 HydrophobicContact CB-CB 3.93Å; C131-C152 WeakPolarHBondContact CB-SG 3.5Å; C131-C152 WeakPolarHBondContact SG-CA 3.34Å; C131-C152 WeakPolarHBondContact SG-CB 3.39Å; C131-C152 CovalentContact SG-SG 2.03Å; C131-C152 PolarHBondContact SG-SG 3.12Å; C131-I190 HydrophobicContact CB-CB 4.06Å; C131-I190 HydrophobicContact CB-CD1 3.44Å; C131-I190 VanDerWaalsContact CB-CD1 3.44Å; C131-I190 HydrophobicContact CB-CG1 4.34Å; C131-I190 HydrophobicContact CB-CG2 4.11Å; C131-C193 HydrophobicContact CB-CB 4.35Å; C131-C193 WeakPolarHBondContact O-CB 3.19Å
132N89.3Confident75.7Confident108 Ų10876.1 Ų76.158%0.57845%0.45SS*.Hα-helixtrans-88.4-18.4175.7-69.6-51.8000113.4N128 G134 I190N128-N132 WeakPolarHBondContact O-CB 3.27Å; N128-N132 VanDerWaalsContact O-CG 3.31Å; N128-N132 PolarHBondContact O-N 3.26Å; N128-N132 PolarHBondContact O-ND2 3.37Å; N132-G134 PolarHBondContact O-N 2.9Å; N132-I190 WeakPolarHBondContact ND2-CD1 3.47Å
133K73.9Confident73.8Confident141 Ų14177 Ų7761%0.61347%0.465SS*.  trans-70.795.9173.9-84.5177.1174.7-179.70109.5I129I129-K133 HydrophobicContact CG2-CD 3.83Å; I129-K133 HydrophobicContact CG2-CG 4.44Å; I129-K133 VanDerWaalsContact O-CB 3.24Å; I129-K133 WeakPolarHBondContact O-CB 3.22Å; I129-K133 WeakPolarHBondContact O-CD 3.29Å; I129-K133 WeakPolarHBondContact O-CG 3.45Å; I129-K133 PolarHBondContact O-N 3.43Å; I129-K133 VanDerWaalsContact O-N 3.14Å
134G59.7Low71.9Confident38 Ų3879.5 Ų79.539%0.39248%0.476SS..PPolyproline II helixtrans-55.7135.7149.200000108.2N132 P146N132-G134 PolarHBondContact O-N 2.9Å; G134-P146 WeakPolarHBondContact CA-O 3.47Å
135T52.5Low70.4Confident80 Ų8083.6 Ų83.649%0.49150%0.498SS..PPolyproline II helixtrans-48.3132.4167.332.60000108.4
136P49.6Very low69Low106 Ų10684.9 Ų84.969%0.68850%0.504SS*.PPolyproline II helixtrans-50.7137.4175.6-23.531.5000109.3Q138P136-Q138 VanDerWaalsContact C-N 3.3Å; P136-Q138 PolarHBondContact O-N 3.49Å
137P47.2Very low68.5Low116 Ų11683.2 Ų83.275%0.75349%0.491SS*.  trans-67.391.4-178.526.6-32.3000109.2A139P137-A139 PolarHBondContact O-N 3.42Å
138Q47.3Very low68.1Low173 Ų17385.1 Ų85.181%0.80850%0.504SS*.SBendtrans-82.694.1153.6-74.2-172.6-4.400106.1P136 Q144P136-Q138 VanDerWaalsContact C-N 3.3Å; P136-Q138 PolarHBondContact O-N 3.49Å; Q138-Q144 PolarHBondContact O-NE2 3.03Å
139A52.8Low67.9Low67 Ų6784.6 Ų84.655%0.55450%0.499SS*.SBendtrans63.3148178.900000116.3P137 A141 Q144P137-A139 PolarHBondContact O-N 3.42Å; A139-A141 PolarHBondContact O-N 3.28Å; A139-Q144 PolarHBondContact O-NE2 2.04Å
140P45.4Very low67.8Low140 Ų14088.6 Ų88.691%0.90951%0.513SS*.  trans-75.675.1175.332.4-32.6000109.4
141A53.8Low67.9Low58 Ų5894.4 Ų94.448%0.47953%0.531SS..  trans-81.8125.5165.300000108.1A139 N143 Q144A139-A141 PolarHBondContact O-N 3.28Å; A141-N143 PolarHBondContact O-N 2.99Å; A141-Q144 HydrophobicContact CB-CG 4.33Å; A141-Q144 PolarHBondContact O-N 3.45Å
142A55Low68Low83 Ų8394.2 Ų94.269%0.68653%0.53SS*.THydrogen-bonded Turntrans-57-6.7-175.800000115.4
143N56.9Low68.3Low151 Ų15189.6 Ų89.681%0.80751%0.505SS*.THydrogen-bonded Turntrans-118.614.1-171.6-69.5-16000115A141 E145A141-N143 PolarHBondContact O-N 2.99Å; N143-E145 PolarHBondContact O-N 3.25Å
144Q60.5Low69.4Low62 Ų6288.6 Ų88.629%0.2950%0.501SS..  trans-71.3125177.2-69.7-174.51800111.5Q138 A139 A141 R198Q138-Q144 PolarHBondContact O-NE2 3.03Å; A139-Q144 PolarHBondContact O-NE2 2.04Å; A141-Q144 HydrophobicContact CB-CG 4.33Å; A141-Q144 PolarHBondContact O-N 3.45Å; Q144-R198 PolarHBondContact O-NH2 3.24Å
145E65.9Low71.2Confident134 Ų13487.2 Ų87.263%0.62649%0.485SS*.  trans-63135.4172.2-74.7-174.3164.800109.8N143 C147N143-E145 PolarHBondContact O-N 3.25Å; E145-C147 PolarHBondContact O-N 2.89Å; E145-C147 VanDerWaalsContact O-N 3.07Å
146P68.7Low73.4Confident85 Ų8583.4 Ų83.455%0.55246%0.462SS*.SBendtrans-65.9-13.8-174.726.3-34.1000113.7G134G134-P146 WeakPolarHBondContact CA-O 3.47Å
147C85.8Confident75.7Confident6 Ų681.7 Ų81.74%0.04144%0.442CS..SBendtrans-164.7167.1175.469.60000110.1E145 R149 C193E145-C147 PolarHBondContact O-N 2.89Å; E145-C147 VanDerWaalsContact O-N 3.07Å; C147-R149 PolarHBondContact O-N 3.26Å; C147-R149 VanDerWaalsContact O-N 3.08Å; C147-C193 HydrophobicContact CB-CB 3.84Å; C147-C193 WeakPolarHBondContact CB-SG 3.41Å; C147-C193 WeakPolarHBondContact SG-CA 3.46Å; C147-C193 WeakPolarHBondContact SG-CB 3.34Å; C147-C193 CovalentContact SG-SG 2.01Å; C147-C193 PolarHBondContact SG-SG 3.38Å
148S89.4Confident78Confident42 Ų4279.7 Ų79.729%0.29442%0.422SS..  trans-79.487.1168.3-173.10000111K150 R151 C152S148-K150 PolarHBondContact O-N 2.65Å; S148-R151 PolarHBondContact O-N 3.2Å; S148-R151 VanDerWaalsContact O-N 3.11Å; S148-R151 WeakPolarHBondContact OG-CD 3.23Å; S148-R151 WeakPolarHBondContact OG-CG 3.41Å; S148-C152 PolarHBondContact O-N 3.41Å
149R90.6Very high80.4Confident34 Ų3471.4 Ų71.413%0.12838%0.384CS..Hα-helixtrans-54.5-48.5-173.5-175174179.8108.7-17.3113.4C147 R151 C152 Q153 C193 H195 Q196 E197C147-R149 PolarHBondContact O-N 3.26Å; C147-R149 VanDerWaalsContact O-N 3.08Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R149-R151 PolarHBondContact O-N 2.88Å; R149-C152 WeakPolarHBondContact O-CB 3.27Å; R149-C152 PolarHBondContact O-N 2.89Å; R149-C152 VanDerWaalsContact O-N 3.11Å; R149-Q153 HydrophobicContact CG-CG 4.35Å; R149-Q153 WeakPolarHBondContact O-CB 3.5Å; R149-Q153 WeakPolarHBondContact O-CG 3.4Å; R149-Q153 PolarHBondContact O-N 2.88Å; R149-C193 PolarHBondContact NH1-O 2.99Å; R149-H195 PolarHBondContact NH1-O 3.4Å; R149-H195 PolarHBondContact NH2-O 3.32Å; R149-Q196 PolarHBondContact NH1-O 2.67Å; R149-E197 VanDerWaalsContact CZ-CD 3.47Å; R149-E197 IonicContact CZ-OE1 3.73Å; R149-E197 IonicContact NE-OE1 2.86Å; R149-E197 PolarHBondContact NE-OE1 3.39Å; R149-E197 VanDerWaalsContact NE-OE1 3.15Å; R149-E197 IonicContact NH1-OE1 2.78Å; R149-E197 IonicContact NH2-OE1 3.32Å; R149-E197 PolarHBondContact NH2-OE1 3.33Å
150K92.5Very high82.6Confident174 Ų17469.3 Ų69.376%0.75736%0.362SS*.Hα-helixtrans-59.8-37.6178.7-68.3-172.4178.4-177.20112.9S148 K154S148-K150 PolarHBondContact O-N 2.65Å; K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 2.96Å
151R95.1Very high84.9Confident181 Ų18166.9 Ų66.968%0.68334%0.338SS*.Hα-helixtrans-70.7-40.9175.7-69-177.4178.3179.4-0.4111.1I130 S148 R149 K154 A155I130-R151 HydrophobicContact CG2-CB 3.72Å; S148-R151 PolarHBondContact O-N 3.2Å; S148-R151 VanDerWaalsContact O-N 3.11Å; S148-R151 WeakPolarHBondContact OG-CD 3.23Å; S148-R151 WeakPolarHBondContact OG-CG 3.41Å; R149-R151 VanDerWaalsContact C-N 3.3Å; R149-R151 PolarHBondContact O-N 2.88Å; R151-K154 PolarHBondContact O-N 3.2Å; R151-A155 WeakPolarHBondContact O-CB 3.42Å; R151-A155 PolarHBondContact O-N 3.41Å
152C96.1Very high86.8Confident0 Ų071.8 Ų71.80%034%0.344CS..Hα-helixtrans-60.7-50.6174.91750000111.7I130 C131 S148 R149 K154 A155 L156 C193I130-C152 HydrophobicContact CG2-CB 4.39Å; C131-C152 HydrophobicContact CB-CB 3.93Å; C131-C152 WeakPolarHBondContact CB-SG 3.5Å; C131-C152 WeakPolarHBondContact SG-CA 3.34Å; C131-C152 WeakPolarHBondContact SG-CB 3.39Å; C131-C152 CovalentContact SG-SG 2.03Å; C131-C152 PolarHBondContact SG-SG 3.12Å; S148-C152 PolarHBondContact O-N 3.41Å; R149-C152 WeakPolarHBondContact O-CB 3.27Å; R149-C152 PolarHBondContact O-N 2.89Å; R149-C152 VanDerWaalsContact O-N 3.11Å; C152-K154 VanDerWaalsContact C-N 3.34Å; C152-K154 PolarHBondContact O-N 3.34Å; C152-A155 PolarHBondContact O-N 3.43Å; C152-A155 VanDerWaalsContact O-N 3.11Å; C152-L156 WeakPolarHBondContact O-CG 3.4Å; C152-L156 PolarHBondContact O-N 3.21Å; C152-C193 VanDerWaalsContact CB-SG 3.52Å
153Q96.3Very high88.7Confident11 Ų1168.2 Ų68.25%0.05131%0.314CS..Hα-helixtrans-54.6-47.2174.9-77.6173.8-2800111.7R149 A155 L156 R157 G254 S255R149-Q153 HydrophobicContact CG-CG 4.35Å; R149-Q153 WeakPolarHBondContact O-CB 3.5Å; R149-Q153 WeakPolarHBondContact O-CG 3.4Å; R149-Q153 PolarHBondContact O-N 2.88Å; Q153-A155 VanDerWaalsContact C-N 3.35Å; Q153-A155 PolarHBondContact O-N 3.17Å; Q153-L156 PolarHBondContact O-N 3Å; Q153-R157 WeakPolarHBondContact O-CG 3.41Å; Q153-R157 PolarHBondContact O-N 2.9Å; Q153-G254 WeakPolarHBondContact CB-O 3.07Å; Q153-S255 PolarHBondContact NE2-O 3.36Å; Q153-S255 VanDerWaalsContact NE2-O 3.14Å
154K96.4Very high90.4Very high120 Ų12063.6 Ų63.652%0.52229%0.294SS..Hα-helixtrans-60.5-42176-175.4177.4-179.2177.40112.5K150 R151 C152 R157 Q158K150-K154 WeakPolarHBondContact O-CB 3.48Å; K150-K154 PolarHBondContact O-N 2.96Å; R151-K154 PolarHBondContact O-N 3.2Å; C152-K154 VanDerWaalsContact C-N 3.34Å; C152-K154 PolarHBondContact O-N 3.34Å; K154-R157 PolarHBondContact O-N 2.86Å; K154-Q158 WeakPolarHBondContact O-CG 3.1Å; K154-Q158 PolarHBondContact O-N 3.27Å
155A97.8Very high91.8Very high8 Ų866 Ų667%0.06630%0.3CS..Hα-helixtrans-68.3-36.9178.700000112.4I130 R151 C152 Q153 Q158 F159I130-A155 HydrophobicContact CD1-CB 3.71Å; R151-A155 WeakPolarHBondContact O-CB 3.42Å; R151-A155 PolarHBondContact O-N 3.41Å; C152-A155 PolarHBondContact O-N 3.43Å; C152-A155 VanDerWaalsContact O-N 3.11Å; Q153-A155 VanDerWaalsContact C-N 3.35Å; Q153-A155 PolarHBondContact O-N 3.17Å; A155-Q158 PolarHBondContact O-N 2.98Å; A155-F159 PolarHBondContact O-N 2.98Å
156L98.4Very high92.9Very high0 Ų063.9 Ų63.90%029%0.29CS..Hα-helixtrans-64.2-45.8173.3-75168.6000111.7Y127 C152 Q153 Q158 F159 F160 I189 S194 I253Y127-L156 HydrophobicContact CD1-CD2 4.4Å; Y127-L156 HydrophobicContact CD2-CD2 3.66Å; Y127-L156 HydrophobicContact CD2-CG 4.47Å; Y127-L156 HydrophobicContact CE2-CD2 3.95Å; Y127-L156 HydrophobicContact CG-CD2 3.95Å; C152-L156 WeakPolarHBondContact O-CG 3.4Å; C152-L156 PolarHBondContact O-N 3.21Å; Q153-L156 PolarHBondContact O-N 3Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.45Å; L156-F159 WeakPolarHBondContact O-CB 3.36Å; L156-F159 PolarHBondContact O-N 3.19Å; L156-F159 VanDerWaalsContact O-N 3.1Å; L156-F160 HydrophobicContact CD2-CE2 4.43Å; L156-F160 WeakPolarHBondContact O-CD2 3.33Å; L156-F160 PolarHBondContact O-N 3.2Å; L156-I189 HydrophobicContact CD1-CB 4.38Å; L156-I189 HydrophobicContact CD2-CB 4.21Å; L156-I189 HydrophobicContact CD2-CG2 4.29Å; L156-S194 VanDerWaalsContact CD1-CB 3.46Å; L156-I253 HydrophobicContact CB-CG2 4.26Å; L156-I253 HydrophobicContact CD1-CG2 4.44Å
157R97Very high94Very high71 Ų7161.3 Ų61.327%0.26827%0.272SS..Hα-helixtrans-56-48.6173.8-68.6-168.2-54.1-96.710.1111.1Q153 K154 F159 F160 E161 I253 G254Q153-R157 WeakPolarHBondContact O-CG 3.41Å; Q153-R157 PolarHBondContact O-N 2.9Å; K154-R157 PolarHBondContact O-N 2.86Å; R157-F159 VanDerWaalsContact C-N 3.26Å; R157-F159 PolarHBondContact O-N 3.03Å; R157-F160 PolarHBondContact O-N 2.04Å; R157-E161 VanDerWaalsContact O-CB 3.32Å; R157-E161 WeakPolarHBondContact O-CB 3.27Å; R157-E161 VanDerWaalsContact O-CG 3.24Å; R157-E161 WeakPolarHBondContact O-CG 3.46Å; R157-E161 PolarHBondContact O-N 3.39Å; R157-I253 WeakPolarHBondContact CG-O 3Å; R157-G254 WeakPolarHBondContact CD-O 3.44Å; R157-G254 PolarHBondContact NH1-O 3.18Å
158Q96.4Very high94.5Very high73 Ų7361 Ų6134%0.34127%0.27SS..Hα-helixtrans-59.5-34.7177-74.5-177-1000113.6K154 A155 L156 R162K154-Q158 WeakPolarHBondContact O-CG 3.1Å; K154-Q158 PolarHBondContact O-N 3.27Å; A155-Q158 PolarHBondContact O-N 2.98Å; L156-Q158 VanDerWaalsContact C-N 3.32Å; L156-Q158 PolarHBondContact O-N 3.45Å; Q158-R162 VanDerWaalsContact O-CB 3.27Å; Q158-R162 WeakPolarHBondContact O-CB 3.45Å; Q158-R162 WeakPolarHBondContact O-CG 3.44Å; Q158-R162 PolarHBondContact O-N 3.24Å
159F98.6Very high94.8Very high0 Ų059.9 Ų59.90%026%0.259CS..Hα-helixtrans-65.6-54.1175.9173.7-98.4000111L123 R124 Y127 A155 L156 R157 E161 R162 V163 L171L123-F159 HydrophobicContact CB-CD2 3.83Å; R124-F159 HydrophobicContact CB-CD2 4.32Å; R124-F159 HydrophobicContact CB-CE2 3.82Å; Y127-F159 HydrophobicContact CD1-CB 3.83Å; Y127-F159 HydrophobicContact CD1-CD1 4.39Å; Y127-F159 AromaticContact CD1-CD2 3.89Å; Y127-F159 HydrophobicContact CD1-CD2 3.89Å; Y127-F159 AromaticContact CD1-CG 3.77Å; Y127-F159 HydrophobicContact CD1-CG 3.77Å; Y127-F159 HydrophobicContact CE1-CB 4.28Å; Y127-F159 AromaticContact CE1-CD1 3.98Å; Y127-F159 HydrophobicContact CE1-CD1 3.98Å; Y127-F159 AromaticContact CE1-CD2 3.73Å; Y127-F159 HydrophobicContact CE1-CD2 3.73Å; Y127-F159 HydrophobicContact CE1-CE1 4.27Å; Y127-F159 HydrophobicContact CE1-CE2 4.04Å; Y127-F159 AromaticContact CE1-CG 3.71Å; Y127-F159 HydrophobicContact CE1-CG 3.71Å; Y127-F159 HydrophobicContact CE1-CZ 4.3Å; A155-F159 PolarHBondContact O-N 2.98Å; L156-F159 WeakPolarHBondContact O-CB 3.36Å; L156-F159 PolarHBondContact O-N 3.19Å; L156-F159 VanDerWaalsContact O-N 3.1Å; R157-F159 VanDerWaalsContact C-N 3.26Å; R157-F159 PolarHBondContact O-N 3.03Å; F159-E161 VanDerWaalsContact C-N 3.32Å; F159-E161 PolarHBondContact O-N 2.89Å; F159-R162 PolarHBondContact O-N 3.4Å; F159-V163 HydrophobicContact CD2-CB 4.5Å; F159-V163 HydrophobicContact CD2-CG2 3.67Å; F159-V163 HydrophobicContact CE2-CB 4.27Å; F159-V163 HydrophobicContact CE2-CG1 4.39Å; F159-V163 HydrophobicContact CE2-CG2 3.65Å; F159-V163 HydrophobicContact CG-CG2 4.38Å; F159-V163 HydrophobicContact CZ-CB 4.5Å; F159-V163 HydrophobicContact CZ-CG1 4.4Å; F159-V163 HydrophobicContact CZ-CG2 4.34Å; F159-V163 VanDerWaalsContact O-CB 3.27Å; F159-V163 WeakPolarHBondContact O-CB 3.42Å; F159-V163 WeakPolarHBondContact O-CG2 3.44Å; F159-V163 PolarHBondContact O-N 2.92Å; F159-L171 HydrophobicContact CE1-CD1 4.35Å; F159-L171 HydrophobicContact CZ-CD1 3.72Å
160F97.1Very high95Very high23 Ų2360 Ų6010%0.10126%0.264CS..Hα-helixtrans-72.5-21.8-176.8-72-71.1000114L156 R157 L172 I189 V250 I253L156-F160 HydrophobicContact CD2-CE2 4.43Å; L156-F160 WeakPolarHBondContact O-CD2 3.33Å; L156-F160 PolarHBondContact O-N 3.2Å; R157-F160 PolarHBondContact O-N 2.04Å; F160-L172 HydrophobicContact CE1-CD2 4.11Å; F160-L172 HydrophobicContact CZ-CD2 4.24Å; F160-I189 HydrophobicContact CE2-CG2 4.09Å; F160-I189 HydrophobicContact CZ-CG2 4.21Å; F160-V250 HydrophobicContact CB-CG1 3.69Å; F160-V250 HydrophobicContact CD1-CG1 3.52Å; F160-V250 HydrophobicContact CD2-CG1 4.49Å; F160-V250 HydrophobicContact CE1-CG1 4.26Å; F160-V250 HydrophobicContact CG-CG1 3.65Å; F160-I253 HydrophobicContact CD2-CB 4.25Å; F160-I253 HydrophobicContact CD2-CG2 3.92Å; F160-I253 HydrophobicContact CE2-CB 4.28Å; F160-I253 HydrophobicContact CE2-CD1 4.02Å; F160-I253 HydrophobicContact CE2-CG2 3.65Å; F160-I253 HydrophobicContact CZ-CD1 4.09Å
161E93.8Very high95.2Very high89 Ų8951.8 Ų51.842%0.41623%0.229SC..Hα-helixtrans-80-30.7174-73.5167.6179.200113.3R157 F159 R219R157-E161 VanDerWaalsContact O-CB 3.32Å; R157-E161 WeakPolarHBondContact O-CB 3.27Å; R157-E161 VanDerWaalsContact O-CG 3.24Å; R157-E161 WeakPolarHBondContact O-CG 3.46Å; R157-E161 PolarHBondContact O-N 3.39Å; F159-E161 VanDerWaalsContact C-N 3.32Å; F159-E161 PolarHBondContact O-N 2.89Å; E161-R219 IonicContact OE1-NH2 3.33Å
162R94.9Very high95.3Very high160 Ų16043.2 Ų43.260%0.60420%0.196SC*.Hα-helixtrans-107.8-20.2-171.1-63.9-174.4175.3-155.4-0.9114.6L123 Q158 F159L123-R162 HydrophobicContact CD1-CB 3.57Å; Q158-R162 VanDerWaalsContact O-CB 3.27Å; Q158-R162 WeakPolarHBondContact O-CB 3.45Å; Q158-R162 WeakPolarHBondContact O-CG 3.44Å; Q158-R162 PolarHBondContact O-N 3.24Å; F159-R162 PolarHBondContact O-N 3.4Å
163V95.6Very high95.3Very high8 Ų843.2 Ų43.25%0.04820%0.196CC..SBendtrans-91130.6175.9177.30000108.7C120 L123 F159 W165 L167C120-V163 HydrophobicContact CB-CG1 3.86Å; C120-V163 HydrophobicContact CB-CG2 4.35Å; C120-V163 VanDerWaalsContact SG-CG1 3.54Å; L123-V163 HydrophobicContact CB-CG2 4.2Å; L123-V163 HydrophobicContact CD1-CG2 3.72Å; F159-V163 HydrophobicContact CD2-CB 4.5Å; F159-V163 HydrophobicContact CD2-CG2 3.67Å; F159-V163 HydrophobicContact CE2-CB 4.27Å; F159-V163 HydrophobicContact CE2-CG1 4.39Å; F159-V163 HydrophobicContact CE2-CG2 3.65Å; F159-V163 HydrophobicContact CG-CG2 4.38Å; F159-V163 HydrophobicContact CZ-CB 4.5Å; F159-V163 HydrophobicContact CZ-CG1 4.4Å; F159-V163 HydrophobicContact CZ-CG2 4.34Å; F159-V163 VanDerWaalsContact O-CB 3.27Å; F159-V163 WeakPolarHBondContact O-CB 3.42Å; F159-V163 WeakPolarHBondContact O-CG2 3.44Å; F159-V163 PolarHBondContact O-N 2.92Å; V163-W165 PolarHBondContact O-N 3.39Å; V163-L167 HydrophobicContact CG1-CB 3.88Å
164S91.8Very high95.2Very high54 Ų5443 Ų4338%0.37820%0.196SC..  trans-48.6139174.8179.20000110.9E166 L167 S168S164-E166 PolarHBondContact O-N 2.91Å; S164-E166 PolarHBondContact OG-N 3.07Å; S164-L167 PolarHBondContact O-N 3.27Å; S164-S168 PolarHBondContact O-N 3.24Å; S164-S168 PolarHBondContact O-OG 2.88Å
165W89.8Confident94.9Very high113 Ų11338.5 Ų38.543%0.42818%0.18SC..Hα-helixtrans-57.4-31.6177.867.3-91.2000111.5V163 L167 S168 Y169 P170 F307V163-W165 PolarHBondContact O-N 3.39Å; W165-L167 PolarHBondContact O-N 3.19Å; W165-L167 VanDerWaalsContact O-N 3.12Å; W165-S168 WeakPolarHBondContact CA-OG 3.44Å; W165-S168 PolarHBondContact O-N 2.96Å; W165-Y169 HydrophobicContact CB-CD1 3.94Å; W165-Y169 HydrophobicContact CB-CD2 4.28Å; W165-Y169 HydrophobicContact CB-CE1 3.86Å; W165-Y169 HydrophobicContact CB-CE2 4.22Å; W165-Y169 HydrophobicContact CB-CG 4.14Å; W165-Y169 HydrophobicContact CE3-CD2 4.42Å; W165-Y169 VanDerWaalsContact O-CB 3.23Å; W165-Y169 WeakPolarHBondContact O-CB 3.23Å; W165-Y169 PolarHBondContact O-N 3.41Å; W165-P170 WeakPolarHBondContact O-CD 3.43Å; W165-F307 HydrophobicContact CZ3-CE2 4.36Å
166E89Confident94.7Very high89 Ų8938.3 Ų38.342%0.41618%0.178SC..Hα-helixtrans-58.4-25175.4-61.2174.6149.700113.3S164 P170S164-E166 PolarHBondContact O-N 2.91Å; S164-E166 PolarHBondContact OG-N 3.07Å; E166-P170 WeakPolarHBondContact O-CD 3.36Å; E166-P170 VanDerWaalsContact O-CG 3.27Å; E166-P170 WeakPolarHBondContact O-CG 3.45Å
167L92.6Very high94.3Very high32 Ų3245.8 Ų45.817%0.16822%0.217CC..Hα-helixtrans-105.7-34.3178-65.8174.8000112.4A113 N117 C120 V163 S164 W165 L171A113-L167 HydrophobicContact CB-CD2 4.15Å; N117-L167 HydrophobicContact CB-CD1 3.51Å; N117-L167 VanDerWaalsContact CG-CD1 3.43Å; C120-L167 HydrophobicContact CB-CD1 4.05Å; V163-L167 HydrophobicContact CG1-CB 3.88Å; S164-L167 PolarHBondContact O-N 3.27Å; W165-L167 PolarHBondContact O-N 3.19Å; W165-L167 VanDerWaalsContact O-N 3.12Å; L167-L171 WeakPolarHBondContact O-CD1 3.46Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å
168S95.6Very high94.1Very high0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-82.3-34.8-175.961.50000113S164 W165 L171S164-S168 PolarHBondContact O-N 3.24Å; S164-S168 PolarHBondContact O-OG 2.88Å; W165-S168 WeakPolarHBondContact CA-OG 3.44Å; W165-S168 PolarHBondContact O-N 2.96Å; S168-L171 WeakPolarHBondContact O-CB 3.28Å; S168-L171 PolarHBondContact O-N 3.41Å
169Y95.6Very high94.1Very high17 Ų1748.7 Ų48.77%0.06724%0.236CC..Hα-helixtrans-74.7-40.4-175.9-74.323.1000112W165 L171 L172 F173 L246 M247 V250 F307W165-Y169 HydrophobicContact CB-CD1 3.94Å; W165-Y169 HydrophobicContact CB-CD2 4.28Å; W165-Y169 HydrophobicContact CB-CE1 3.86Å; W165-Y169 HydrophobicContact CB-CE2 4.22Å; W165-Y169 HydrophobicContact CB-CG 4.14Å; W165-Y169 HydrophobicContact CE3-CD2 4.42Å; W165-Y169 VanDerWaalsContact O-CB 3.23Å; W165-Y169 WeakPolarHBondContact O-CB 3.23Å; W165-Y169 PolarHBondContact O-N 3.41Å; Y169-L171 PolarHBondContact O-N 3.1Å; Y169-L172 PolarHBondContact O-N 2.98Å; Y169-F173 HydrophobicContact CD1-CE2 4.45Å; Y169-F173 HydrophobicContact CD2-CD2 4.23Å; Y169-F173 AromaticContact CD2-CE2 3.96Å; Y169-F173 HydrophobicContact CD2-CE2 3.96Å; Y169-F173 HydrophobicContact CE2-CE2 4.43Å; Y169-F173 HydrophobicContact CG-CD2 4.11Å; Y169-F173 AromaticContact CG-CE2 3.97Å; Y169-F173 HydrophobicContact CG-CE2 3.97Å; Y169-F173 PolarHBondContact O-N 3.26Å; Y169-L246 HydrophobicContact CE2-CB 4.26Å; Y169-M247 HydrophobicContact CE2-CG 4.26Å; Y169-M247 WeakPolarHBondContact OH-CA 3.31Å; Y169-M247 WeakPolarHBondContact OH-CG 3.48Å; Y169-V250 HydrophobicContact CD1-CG2 4.14Å; Y169-V250 HydrophobicContact CE1-CB 4.14Å; Y169-V250 HydrophobicContact CE1-CG1 4.01Å; Y169-V250 HydrophobicContact CE1-CG2 3.63Å; Y169-V250 HydrophobicContact CE2-CG2 4.47Å; Y169-F307 HydrophobicContact CD2-CE2 4.09Å; Y169-F307 HydrophobicContact CG-CE2 4.46Å; Y169-F307 HydrophobicContact CG-CZ 4.48Å
170P94.9Very high93.9Very high37 Ų3752 Ų5224%0.2426%0.263CS..Hα-helixtrans-60.3-26173.4-27.738.6000114.2A110 W165 E166 L172 C174 F307A110-P170 VanDerWaalsContact CB-C 3.48Å; A110-P170 HydrophobicContact CB-CB 3.6Å; A110-P170 WeakPolarHBondContact CB-O 3.18Å; W165-P170 WeakPolarHBondContact O-CD 3.43Å; E166-P170 WeakPolarHBondContact O-CD 3.36Å; E166-P170 VanDerWaalsContact O-CG 3.27Å; E166-P170 WeakPolarHBondContact O-CG 3.45Å; P170-L172 VanDerWaalsContact C-N 3.29Å; P170-C174 WeakPolarHBondContact O-CB 3.19Å; P170-C174 PolarHBondContact O-N 2.76Å; P170-C174 PolarHBondContact O-SG 3.25Å; P170-C174 VanDerWaalsContact O-SG 3.41Å; P170-F307 HydrophobicContact CG-CE1 4.11Å; P170-F307 HydrophobicContact CG-CZ 3.97Å
171L96.1Very high93.9Very high2 Ų250.9 Ų50.91%0.0126%0.259CS..Hα-helixtrans-69.8-29.3173.4-63.7168.9000112.6A110 A111 C114 F159 L167 S168 Y169 T188A110-L171 HydrophobicContact CB-CD2 3.95Å; A110-L171 HydrophobicContact CB-CG 4.38Å; A111-L171 HydrophobicContact CB-CD2 4.15Å; C114-L171 HydrophobicContact CB-CD1 4.09Å; C114-L171 HydrophobicContact CB-CD2 4.36Å; F159-L171 HydrophobicContact CE1-CD1 4.35Å; F159-L171 HydrophobicContact CZ-CD1 3.72Å; L167-L171 WeakPolarHBondContact O-CD1 3.46Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; S168-L171 WeakPolarHBondContact O-CB 3.28Å; S168-L171 PolarHBondContact O-N 3.41Å; Y169-L171 PolarHBondContact O-N 3.1Å; L171-T188 HydrophobicContact CB-CG2 3.98Å; L171-T188 PolarHBondContact O-OG1 3.42Å
172L97.1Very high94Very high0 Ų046.8 Ų46.80%024%0.24CC..Hα-helixtrans-100.1-33.7-170.9-174.862.9000112.7F160 Y169 P170 R185 T188 I189 Y249 V250 I253 Y261F160-L172 HydrophobicContact CE1-CD2 4.11Å; F160-L172 HydrophobicContact CZ-CD2 4.24Å; Y169-L172 PolarHBondContact O-N 2.98Å; P170-L172 VanDerWaalsContact C-N 3.29Å; L172-R185 VanDerWaalsContact O-CG 3.31Å; L172-R185 WeakPolarHBondContact O-CG 3.32Å; L172-T188 HydrophobicContact CD1-CG2 4.45Å; L172-I189 HydrophobicContact CD1-CG2 4.35Å; L172-Y249 HydrophobicContact CD2-CD1 4.45Å; L172-Y249 HydrophobicContact CD2-CE1 4.05Å; L172-V250 HydrophobicContact CD2-CG2 3.67Å; L172-I253 HydrophobicContact CD1-CD1 4.12Å; L172-I253 HydrophobicContact CD2-CD1 3.46Å; L172-I253 VanDerWaalsContact CD2-CD1 3.46Å; L172-I253 HydrophobicContact CG-CD1 4.45Å; L172-Y261 WeakPolarHBondContact O-CE2 3.31Å; L172-Y261 PolarHBondContact O-OH 3.06Å
173F96.4Very high94.1Very high0 Ų040.8 Ų40.80%022%0.219CC..Hα-helixtrans-120.213-171.6-53-57.1000113.8Y169 S175 L246 Y249 V250 I304 F307Y169-F173 HydrophobicContact CD1-CE2 4.45Å; Y169-F173 HydrophobicContact CD2-CD2 4.23Å; Y169-F173 AromaticContact CD2-CE2 3.96Å; Y169-F173 HydrophobicContact CD2-CE2 3.96Å; Y169-F173 HydrophobicContact CE2-CE2 4.43Å; Y169-F173 HydrophobicContact CG-CD2 4.11Å; Y169-F173 AromaticContact CG-CE2 3.97Å; Y169-F173 HydrophobicContact CG-CE2 3.97Å; Y169-F173 PolarHBondContact O-N 3.26Å; F173-S175 PolarHBondContact O-N 2.63Å; F173-L246 HydrophobicContact CD1-CD2 4.3Å; F173-L246 HydrophobicContact CD2-CD2 4.33Å; F173-L246 HydrophobicContact CE1-CD2 3.96Å; F173-L246 HydrophobicContact CE2-CB 4.19Å; F173-L246 HydrophobicContact CE2-CD2 4Å; F173-L246 HydrophobicContact CE2-CG 4.5Å; F173-L246 HydrophobicContact CG-CD2 4.47Å; F173-L246 HydrophobicContact CZ-CB 4.36Å; F173-L246 HydrophobicContact CZ-CD2 3.78Å; F173-Y249 AromaticContact CE1-CD1 3.67Å; F173-Y249 HydrophobicContact CE1-CD1 3.67Å; F173-Y249 AromaticContact CE1-CE1 3.64Å; F173-Y249 HydrophobicContact CE1-CE1 3.64Å; F173-Y249 AromaticContact CZ-CD1 3.57Å; F173-Y249 HydrophobicContact CZ-CD1 3.57Å; F173-Y249 AromaticContact CZ-CE1 3.94Å; F173-Y249 HydrophobicContact CZ-CE1 3.94Å; F173-V250 HydrophobicContact CE2-CG2 3.7Å; F173-V250 HydrophobicContact CZ-CG2 3.64Å; F173-I304 HydrophobicContact CD1-CD1 4.41Å; F173-I304 HydrophobicContact CD1-CG1 3.86Å; F173-I304 HydrophobicContact CD1-CG2 4.23Å; F173-I304 HydrophobicContact CE1-CD1 4.4Å; F173-I304 HydrophobicContact CE1-CG1 4.05Å; F173-F307 HydrophobicContact CB-CB 4.45Å; F173-F307 HydrophobicContact CB-CD1 3.52Å; F173-F307 HydrophobicContact CB-CE1 4.08Å; F173-F307 HydrophobicContact CB-CG 4.14Å; F173-F307 HydrophobicContact CD2-CD1 4.4Å; F173-F307 HydrophobicContact CG-CD1 4.44Å
174C93.8Very high94.2Very high7 Ų745.6 Ų45.65%0.04724%0.236CC..  trans-49.7136172.141.70000112P106 C107 P170 R185P106-C174 HydrophobicContact CB-CB 4.06Å; C107-C174 WeakPolarHBondContact CA-SG 3.25Å; C107-C174 HydrophobicContact CB-CB 3.89Å; C107-C174 WeakPolarHBondContact CB-SG 3.46Å; C107-C174 WeakPolarHBondContact SG-CB 3.31Å; C107-C174 CovalentContact SG-SG 2.01Å; C107-C174 PolarHBondContact SG-SG 3.11Å; P170-C174 WeakPolarHBondContact O-CB 3.19Å; P170-C174 PolarHBondContact O-N 2.76Å; P170-C174 PolarHBondContact O-SG 3.25Å; P170-C174 VanDerWaalsContact O-SG 3.41Å; C174-R185 WeakPolarHBondContact O-CD 3.28Å; C174-R185 PolarHBondContact O-NH1 3.27Å
175S91.6Very high94.5Very high25 Ų2543.3 Ų43.318%0.17522%0.219CC..  trans-70.3151.9169.853.50000110.9P106 F173 C181 G308P106-S175 WeakPolarHBondContact CG-O 3.34Å; F173-S175 PolarHBondContact O-N 2.63Å; S175-C181 PolarHBondContact O-SG 3.12Å; S175-C181 VanDerWaalsContact O-SG 3.41Å; S175-G308 VanDerWaalsContact CB-O 3.25Å; S175-G308 WeakPolarHBondContact CB-O 3.3Å; S175-G308 PolarHBondContact OG-O 3.32Å
176C92.1Very high94.8Very high5 Ų539.7 Ų39.73%0.03421%0.205CC..  trans-139.5139.7-175.8-72.50000111.7C107 C181 A182 P266C107-C176 PolarHBondContact SG-SG 3.2Å; C176-C181 WeakPolarHBondContact CA-SG 3.48Å; C176-C181 HydrophobicContact CB-CB 3.54Å; C176-C181 WeakPolarHBondContact CB-SG 3.32Å; C176-C181 WeakPolarHBondContact SG-CB 3.34Å; C176-C181 PolarHBondContact SG-O 2.92Å; C176-C181 VanDerWaalsContact SG-O 3.38Å; C176-C181 CovalentContact SG-SG 2.05Å; C176-C181 PolarHBondContact SG-SG 3.01Å; C176-A182 HydrophobicContact CB-CB 4.26Å; C176-A182 PolarHBondContact SG-N 3.48Å; C176-P266 HydrophobicContact CB-CB 4.42Å; C176-P266 WeakPolarHBondContact O-CB 3.39Å
177L90.6Very high95.2Very high156 Ų15642.8 Ų42.882%0.81721%0.213SC*.SBendtrans-102.7-20.3176.1-60176.8000112.5
178D92.8Very high95.5Very high80 Ų8041.8 Ų41.843%0.42821%0.209SC..SBendtrans-131.2166.2-178.266.225.4000112.5A180 C181 A182D178-A180 VanDerWaalsContact C-N 3.28Å; D178-A180 PolarHBondContact O-N 2.82Å; D178-A180 PolarHBondContact OD1-N 3.42Å; D178-C181 WeakPolarHBondContact OD1-CB 3.41Å; D178-C181 PolarHBondContact OD1-N 3.44Å; D178-A182 PolarHBondContact O-N 3.33Å; D178-A182 VanDerWaalsContact O-N 3.12Å
179Q95.9Very high95.6Very high125 Ų12541.9 Ų41.958%0.58421%0.209SC*.Hα-helixtrans-66.7-28.2179.3-70.4179.8-15.500112.7A182 E183Q179-A182 PolarHBondContact O-N 3Å; Q179-E183 VanDerWaalsContact O-CB 3.29Å; Q179-E183 WeakPolarHBondContact O-CB 3.48Å; Q179-E183 PolarHBondContact O-N 3.36Å
180A95.5Very high95.7Very high69 Ų6941.7 Ų41.757%0.5721%0.209SC*.Hα-helixtrans-69.4-42.1-179.700000111.5D178 R184D178-A180 VanDerWaalsContact C-N 3.28Å; D178-A180 PolarHBondContact O-N 2.82Å; D178-A180 PolarHBondContact OD1-N 3.42Å; A180-R184 PolarHBondContact O-N 2.89Å
181C95.9Very high95.7Very high1 Ų140.2 Ų40.21%0.00720%0.199CC..Hα-helixtrans-61.1-50.1169.4-179.60000111.1N105 C107 S175 C176 D178 E183 R184 R185N105-C181 WeakPolarHBondContact ND2-CA 3.31Å; N105-C181 VanDerWaalsContact ND2-CB 3.33Å; N105-C181 WeakPolarHBondContact ND2-CB 3.32Å; N105-C181 PolarHBondContact OD1-SG 3.33Å; C107-C181 PolarHBondContact SG-SG 3.02Å; S175-C181 PolarHBondContact O-SG 3.12Å; S175-C181 VanDerWaalsContact O-SG 3.41Å; C176-C181 WeakPolarHBondContact CA-SG 3.48Å; C176-C181 HydrophobicContact CB-CB 3.54Å; C176-C181 WeakPolarHBondContact CB-SG 3.32Å; C176-C181 WeakPolarHBondContact SG-CB 3.34Å; C176-C181 PolarHBondContact SG-O 2.92Å; C176-C181 VanDerWaalsContact SG-O 3.38Å; C176-C181 CovalentContact SG-SG 2.05Å; C176-C181 PolarHBondContact SG-SG 3.01Å; D178-C181 WeakPolarHBondContact OD1-CB 3.41Å; D178-C181 PolarHBondContact OD1-N 3.44Å; C181-E183 VanDerWaalsContact C-N 3.31Å; C181-E183 PolarHBondContact O-N 3.35Å; C181-R184 WeakPolarHBondContact O-CA 3.49Å; C181-R184 WeakPolarHBondContact O-CB 3.02Å; C181-R184 PolarHBondContact O-N 3.4Å; C181-R185 PolarHBondContact O-N 3.09Å
182A96.7Very high95.5Very high2 Ų243.5 Ų43.52%0.01722%0.222CC..Hα-helixtrans-63.2-37.1-178.100000112.1C176 D178 Q179 R185 R186 N264C176-A182 HydrophobicContact CB-CB 4.26Å; C176-A182 PolarHBondContact SG-N 3.48Å; D178-A182 PolarHBondContact O-N 3.33Å; D178-A182 VanDerWaalsContact O-N 3.12Å; Q179-A182 PolarHBondContact O-N 3Å; A182-R185 WeakPolarHBondContact O-CB 3.41Å; A182-R185 PolarHBondContact O-N 2.83Å; A182-R186 WeakPolarHBondContact O-CB 3.48Å; A182-R186 PolarHBondContact O-N 3.35Å; A182-N264 HydrophobicContact CB-CB 4.33Å; A182-N264 WeakPolarHBondContact CB-O 3.3Å
183E97.1Very high95.3Very high34 Ų3443.7 Ų43.716%0.15922%0.224CC..Hα-helixtrans-67.6-37.4173.3-178.761.8-174.200111.7Q179 C181 R185 R186 R187 N264Q179-E183 VanDerWaalsContact O-CB 3.29Å; Q179-E183 WeakPolarHBondContact O-CB 3.48Å; Q179-E183 PolarHBondContact O-N 3.36Å; C181-E183 VanDerWaalsContact C-N 3.31Å; C181-E183 PolarHBondContact O-N 3.35Å; E183-R185 VanDerWaalsContact C-N 3.34Å; E183-R185 PolarHBondContact O-N 3.02Å; E183-R186 PolarHBondContact O-N 2.86Å; E183-R186 IonicContact OE1-CZ 3.08Å; E183-R186 IonicContact OE1-NE 2.65Å; E183-R186 IonicContact OE1-NH2 3.02Å; E183-R186 PolarHBondContact OE1-NH2 3.38Å; E183-R186 IonicContact OE2-CZ 2.89Å; E183-R186 IonicContact OE2-NE 3.45Å; E183-R186 PolarHBondContact OE2-NE 3.49Å; E183-R186 IonicContact OE2-NH2 2.64Å; E183-R186 PolarHBondContact OE2-NH2 3.31Å; E183-R187 HydrophobicContact CG-CG 4.42Å; E183-R187 VanDerWaalsContact O-CB 3.32Å; E183-R187 WeakPolarHBondContact O-CB 3.34Å; E183-R187 VanDerWaalsContact O-CG 3.3Å; E183-R187 WeakPolarHBondContact O-CG 3.1Å; E183-R187 PolarHBondContact O-N 3.43Å; E183-R187 IonicContact OE1-CZ 3.36Å; E183-R187 IonicContact OE1-NE 2.66Å; E183-R187 PolarHBondContact OE1-NE 3.49Å; E183-R187 IonicContact OE1-NH2 3.15Å; E183-R187 PolarHBondContact OE1-NH2 3.45Å; E183-R187 VanDerWaalsContact OE1-NH2 3.15Å; E183-N264 HydrophobicContact CB-CB 4.02Å
184R97.3Very high95.3Very high110 Ų11043.7 Ų43.742%0.41522%0.224SC..Hα-helixtrans-59.9-45.8172.5176.7178.1-65.7-81.21.6111C107 V108 A180 C181 R187 T188C107-R184 HydrophobicContact CB-CB 4.41Å; C107-R184 HydrophobicContact CB-CG 3.93Å; V108-R184 VanDerWaalsContact CG2-NE 3.33Å; A180-R184 PolarHBondContact O-N 2.89Å; C181-R184 WeakPolarHBondContact O-CA 3.49Å; C181-R184 WeakPolarHBondContact O-CB 3.02Å; C181-R184 PolarHBondContact O-N 3.4Å; R184-R187 PolarHBondContact O-N 2.95Å; R184-T188 PolarHBondContact O-N 2.95Å; R184-T188 PolarHBondContact O-OG1 2.9Å
185R97.4Very high95.3Very high5 Ų543.7 Ų43.72%0.01922%0.223CC..Hα-helixtrans-58.7-49.6175.9-173.9172.369.7-161.8-2.4111.5L172 C174 C181 A182 E183 R187 T188 Y261 S265L172-R185 VanDerWaalsContact O-CG 3.31Å; L172-R185 WeakPolarHBondContact O-CG 3.32Å; C174-R185 WeakPolarHBondContact O-CD 3.28Å; C174-R185 PolarHBondContact O-NH1 3.27Å; C181-R185 PolarHBondContact O-N 3.09Å; A182-R185 WeakPolarHBondContact O-CB 3.41Å; A182-R185 PolarHBondContact O-N 2.83Å; E183-R185 VanDerWaalsContact C-N 3.34Å; E183-R185 PolarHBondContact O-N 3.02Å; R185-R187 VanDerWaalsContact C-N 3.27Å; R185-R187 PolarHBondContact O-N 3.39Å; R185-T188 VanDerWaalsContact O-CB 3.32Å; R185-T188 WeakPolarHBondContact O-CB 3.31Å; R185-T188 PolarHBondContact O-N 3.09Å; R185-T188 PolarHBondContact O-OG1 2.83Å; R185-T188 VanDerWaalsContact O-OG1 3.12Å; R185-Y261 WeakPolarHBondContact CD-OH 3.44Å; R185-Y261 HydrophobicContact CG-CD2 4.23Å; R185-Y261 HydrophobicContact CG-CE1 4.42Å; R185-Y261 HydrophobicContact CG-CE2 3.58Å; R185-Y261 VanDerWaalsContact NE-CE1 3.34Å; R185-S265 PolarHBondContact NH2-O 3.39Å
186R97.9Very high95.3Very high37 Ų3745.9 Ų45.914%0.1423%0.23CC..Hα-helixtrans-61.6-32.8177.3-170.5-176.582.180.95.4113A182 E183 N260 D263A182-R186 WeakPolarHBondContact O-CB 3.48Å; A182-R186 PolarHBondContact O-N 3.35Å; E183-R186 PolarHBondContact O-N 2.86Å; E183-R186 IonicContact OE1-CZ 3.08Å; E183-R186 IonicContact OE1-NE 2.65Å; E183-R186 IonicContact OE1-NH2 3.02Å; E183-R186 PolarHBondContact OE1-NH2 3.38Å; E183-R186 IonicContact OE2-CZ 2.89Å; E183-R186 IonicContact OE2-NE 3.45Å; E183-R186 PolarHBondContact OE2-NE 3.49Å; E183-R186 IonicContact OE2-NH2 2.64Å; E183-R186 PolarHBondContact OE2-NH2 3.31Å; R186-N260 PolarHBondContact O-ND2 3.14Å; R186-D263 WeakPolarHBondContact CD-O 3.18Å
187R97.2Very high95Very high155 Ų15549.7 Ų49.759%0.58525%0.248SC*.Hα-helixtrans-81.6-6.7179.2-75.2-171.2-177-161.43.3114.8E183 R184 R185 I189 I190E183-R187 HydrophobicContact CG-CG 4.42Å; E183-R187 VanDerWaalsContact O-CB 3.32Å; E183-R187 WeakPolarHBondContact O-CB 3.34Å; E183-R187 VanDerWaalsContact O-CG 3.3Å; E183-R187 WeakPolarHBondContact O-CG 3.1Å; E183-R187 PolarHBondContact O-N 3.43Å; E183-R187 IonicContact OE1-CZ 3.36Å; E183-R187 IonicContact OE1-NE 2.66Å; E183-R187 PolarHBondContact OE1-NE 3.49Å; E183-R187 IonicContact OE1-NH2 3.15Å; E183-R187 PolarHBondContact OE1-NH2 3.45Å; E183-R187 VanDerWaalsContact OE1-NH2 3.15Å; R184-R187 PolarHBondContact O-N 2.95Å; R185-R187 VanDerWaalsContact C-N 3.27Å; R185-R187 PolarHBondContact O-N 3.39Å; R187-I189 PolarHBondContact O-N 2.93Å; R187-I190 PolarHBondContact O-N 3.07Å
188T98.1Very high94.7Very high11 Ų1151.8 Ų51.87%0.06725%0.245CC..THydrogen-bonded Turntrans-51.1-37.5-176.5-69.80000113.3Y127 L171 L172 R184 R185Y127-T188 PolarHBondContact OH-O 2.68Å; L171-T188 HydrophobicContact CB-CG2 3.98Å; L171-T188 PolarHBondContact O-OG1 3.42Å; L172-T188 HydrophobicContact CD1-CG2 4.45Å; R184-T188 PolarHBondContact O-N 2.95Å; R184-T188 PolarHBondContact O-OG1 2.9Å; R185-T188 VanDerWaalsContact O-CB 3.32Å; R185-T188 WeakPolarHBondContact O-CB 3.31Å; R185-T188 PolarHBondContact O-N 3.09Å; R185-T188 PolarHBondContact O-OG1 2.83Å; R185-T188 VanDerWaalsContact O-OG1 3.12Å
189I97.7Very high94.5Very high1 Ų154.3 Ų54.31%0.00525%0.254CS..THydrogen-bonded Turntrans-101.89.1-179.564.5169.3000114.4L156 F160 L172 R187 S194 I253 T258 N260L156-I189 HydrophobicContact CD1-CB 4.38Å; L156-I189 HydrophobicContact CD2-CB 4.21Å; L156-I189 HydrophobicContact CD2-CG2 4.29Å; F160-I189 HydrophobicContact CE2-CG2 4.09Å; F160-I189 HydrophobicContact CZ-CG2 4.21Å; L172-I189 HydrophobicContact CD1-CG2 4.35Å; R187-I189 PolarHBondContact O-N 2.93Å; I189-S194 VanDerWaalsContact O-CB 3.32Å; I189-S194 WeakPolarHBondContact O-CB 3.4Å; I189-S194 PolarHBondContact O-OG 3.18Å; I189-I253 HydrophobicContact CG2-CD1 4.33Å; I189-I253 HydrophobicContact CG2-CG2 3.93Å; I189-T258 HydrophobicContact CD1-CG2 3.88Å; I189-N260 HydrophobicContact CD1-CB 4.05Å
190I96.6Very high94.3Very high13 Ų1352.5 Ų52.57%0.06724%0.244CC..  trans55.972.4-178.5-54.4167.7000111.5Y127 N128 C131 N132 R187 S192 C193 S194Y127-I190 HydrophobicContact CD2-CD1 4.21Å; Y127-I190 HydrophobicContact CE2-CD1 4.16Å; N128-I190 HydrophobicContact CB-CD1 4.39Å; N128-I190 VanDerWaalsContact OD1-CD1 3.29Å; N128-I190 WeakPolarHBondContact OD1-CD1 3.04Å; C131-I190 HydrophobicContact CB-CB 4.06Å; C131-I190 HydrophobicContact CB-CD1 3.44Å; C131-I190 VanDerWaalsContact CB-CD1 3.44Å; C131-I190 HydrophobicContact CB-CG1 4.34Å; C131-I190 HydrophobicContact CB-CG2 4.11Å; N132-I190 WeakPolarHBondContact ND2-CD1 3.47Å; R187-I190 PolarHBondContact O-N 3.07Å; I190-S192 PolarHBondContact O-N 3.02Å; I190-S192 VanDerWaalsContact O-N 3.14Å; I190-C193 HydrophobicContact CG2-CB 4.17Å; I190-C193 PolarHBondContact O-N 3.24Å; I190-S194 PolarHBondContact O-N 2.99Å; I190-S194 PolarHBondContact O-OG 3.3Å
191P95.5Very high94.3Very high6 Ų650 Ų504%0.03922%0.222CC..Hα-helixtrans-61.4-27.9-170.920.3-31.5000114.3C193 H195 Q196P191-C193 PolarHBondContact O-N 3.38Å; P191-C193 VanDerWaalsContact O-N 3.11Å; P191-H195 HydrophobicContact CB-CB 4.15Å; P191-H195 PolarHBondContact O-N 3.29Å; P191-Q196 HydrophobicContact CB-CG 4.47Å; P191-Q196 WeakPolarHBondContact O-CB 3.47Å; P191-Q196 WeakPolarHBondContact O-CG 3.26Å; P191-Q196 PolarHBondContact O-N 3.34Å
192S92.6Very high94.3Very high71 Ų7151.7 Ų51.750%0.49723%0.232SC..Hα-helixtrans-62.9-14.8177.654.20000114.1I190I190-S192 PolarHBondContact O-N 3.02Å; I190-S192 VanDerWaalsContact O-N 3.14Å
193C93.6Very high94.3Very high4 Ų451.6 Ų51.63%0.02723%0.231CC..Hα-helixtrans-118.3-48.5179.2177.40000112.1C131 C147 R149 C152 I190 P191C131-C193 HydrophobicContact CB-CB 4.35Å; C131-C193 WeakPolarHBondContact O-CB 3.19Å; C147-C193 HydrophobicContact CB-CB 3.84Å; C147-C193 WeakPolarHBondContact CB-SG 3.41Å; C147-C193 WeakPolarHBondContact SG-CA 3.46Å; C147-C193 WeakPolarHBondContact SG-CB 3.34Å; C147-C193 CovalentContact SG-SG 2.01Å; C147-C193 PolarHBondContact SG-SG 3.38Å; R149-C193 PolarHBondContact NH1-O 2.99Å; C152-C193 VanDerWaalsContact CB-SG 3.52Å; I190-C193 HydrophobicContact CG2-CB 4.17Å; I190-C193 PolarHBondContact O-N 3.24Å; P191-C193 PolarHBondContact O-N 3.38Å; P191-C193 VanDerWaalsContact O-N 3.11Å
194S94.8Very high94.3Very high0 Ų050.5 Ų50.50%023%0.227CC..Hα-helixtrans-86.8-20.2-170.564.40000114.8L156 I189 I190L156-S194 VanDerWaalsContact CD1-CB 3.46Å; I189-S194 VanDerWaalsContact O-CB 3.32Å; I189-S194 WeakPolarHBondContact O-CB 3.4Å; I189-S194 PolarHBondContact O-OG 3.18Å; I190-S194 PolarHBondContact O-N 2.99Å; I190-S194 PolarHBondContact O-OG 3.3Å
195H94.7Very high94.2Very high8 Ų849 Ų494%0.03723%0.225CC..THydrogen-bonded Turntrans-120.9-61.9-172.8179.571.7000110.8R149 P191 T258 N260 S272 W274R149-H195 PolarHBondContact NH1-O 3.4Å; R149-H195 PolarHBondContact NH2-O 3.32Å; P191-H195 HydrophobicContact CB-CB 4.15Å; P191-H195 PolarHBondContact O-N 3.29Å; H195-T258 PolarHBondContact ND1-O 3.11Å; H195-N260 HydrophobicContact CB-CB 4.47Å; H195-S272 PolarHBondContact CE1-O 3.33Å; H195-S272 VanDerWaalsContact CE1-O 3.27Å; H195-W274 PolarHBondContact CE1-N 3.06Å; H195-W274 VanDerWaalsContact O-CB 3.29Å; H195-W274 WeakPolarHBondContact O-CB 3.32Å
196Q91.9Very high94.1Very high70 Ų7049.5 Ų49.533%0.32723%0.227SC..  trans-76.2138.8-175.3-57.8176.9-26.100111.5R149 P191 W274R149-Q196 PolarHBondContact NH1-O 2.67Å; P191-Q196 HydrophobicContact CB-CG 4.47Å; P191-Q196 WeakPolarHBondContact O-CB 3.47Å; P191-Q196 WeakPolarHBondContact O-CG 3.26Å; P191-Q196 PolarHBondContact O-N 3.34Å; Q196-W274 HydrophobicContact CB-CD2 4.31Å; Q196-W274 HydrophobicContact CB-CE3 4.34Å; Q196-W274 HydrophobicContact CB-CH2 4.41Å; Q196-W274 HydrophobicContact CB-CZ2 4.39Å; Q196-W274 HydrophobicContact CB-CZ3 4.4Å; Q196-W274 HydrophobicContact CG-CD2 4.35Å; Q196-W274 HydrophobicContact CG-CE3 3.91Å; Q196-W274 HydrophobicContact CG-CH2 4.3Å; Q196-W274 HydrophobicContact CG-CZ3 3.88Å
197E85.1Confident94Very high86 Ų8649 Ų4940%0.40223%0.225SC..  trans-130.7160.1173.8-65.5-171.3-13300110R149 H199 W274R149-E197 VanDerWaalsContact CZ-CD 3.47Å; R149-E197 IonicContact CZ-OE1 3.73Å; R149-E197 IonicContact NE-OE1 2.86Å; R149-E197 PolarHBondContact NE-OE1 3.39Å; R149-E197 VanDerWaalsContact NE-OE1 3.15Å; R149-E197 IonicContact NH1-OE1 2.78Å; R149-E197 IonicContact NH2-OE1 3.32Å; R149-E197 PolarHBondContact NH2-OE1 3.33Å; E197-H199 VanDerWaalsContact C-N 3.32Å; E197-H199 WeakPolarHBondContact CB-O 3.42Å; E197-H199 PolarHBondContact O-N 3.31Å; E197-W274 VanDerWaalsContact O-CZ2 3.27Å; E197-W274 WeakPolarHBondContact O-CZ2 3.31Å; E197-W274 PolarHBondContact O-NE1 2.93Å
198R84.1Confident93.8Very high199 Ų19948.1 Ų48.175%0.75122%0.222SC*.SBendtrans-62.3-42.6177.7-66.8-169.8-175.2-150.78.3111.7Q144Q144-R198 PolarHBondContact O-NH2 3.24Å
199H88.6Confident93.7Very high133 Ų13350.6 Ų50.662%0.61624%0.237SC*.SBendtrans-93.6141.4174.6-173.561.8000109.8E197 P201 W274E197-H199 VanDerWaalsContact C-N 3.32Å; E197-H199 WeakPolarHBondContact CB-O 3.42Å; E197-H199 PolarHBondContact O-N 3.31Å; H199-P201 WeakPolarHBondContact O-CD 3.08Å; H199-W274 PolarHBondContact O-NE1 3.08Å
200K92.4Very high93.6Very high88 Ų8850.5 Ų50.538%0.38324%0.237SC..  trans-109.797.6176.6-159.9179.5-155.6-149.30108C275K200-C275 WeakPolarHBondContact CE-O 3.46Å; K200-C275 PolarHBondContact NZ-O 3.32Å
201P94.3Very high93.5Very high16 Ų1653.3 Ų53.310%0.10425%0.247CC..  trans-68.3170.5-17830.3-36.1000111.2H199 E205 L206 C275 T276H199-P201 WeakPolarHBondContact O-CD 3.08Å; P201-E205 HydrophobicContact CB-CB 4.45Å; P201-E205 HydrophobicContact CB-CG 4.38Å; P201-E205 WeakPolarHBondContact CB-OE2 3.42Å; P201-L206 HydrophobicContact CG-CD1 4.47Å; P201-C275 CarbonylContact O-C 3.58Å; P201-C275 VanDerWaalsContact O-CA 3.27Å; P201-C275 WeakPolarHBondContact O-CA 3.35Å; P201-C275 WeakPolarHBondContact O-CB 3.38Å; P201-T276 PolarHBondContact O-N 3.26Å
202T96.3Very high93.4Very high36 Ų3658 Ų5822%0.22128%0.279CS..BIsolated β-bridgetrans-68.3148.9170.366.90000110.6L204 E205 L206 T276 T280T202-L204 PolarHBondContact O-N 3.11Å; T202-E205 WeakPolarHBondContact O-CB 3.48Å; T202-E205 PolarHBondContact O-N 3.35Å; T202-E205 VanDerWaalsContact O-N 3.13Å; T202-E205 WeakPolarHBondContact OG1-CB 3.45Å; T202-E205 PolarHBondContact OG1-N 3.38Å; T202-E205 VanDerWaalsContact OG1-N 3.12Å; T202-L206 PolarHBondContact O-N 2.9Å; T202-T276 CarbonylContact C-O 3.47Å; T202-T276 WeakPolarHBondContact CA-O 3.34Å; T202-T280 HydrophobicContact CG2-CG2 3.85Å
203C97.5Very high93.4Very high0 Ų057.9 Ų57.90%027%0.273CS..Hα-helixtrans-63.8-29.8179.4-55.10000112.2L206 R207 C275 T276 C277 C287 F290C203-L206 PolarHBondContact O-N 3Å; C203-R207 WeakPolarHBondContact O-CB 3.39Å; C203-R207 PolarHBondContact O-N 3.45Å; C203-C275 WeakPolarHBondContact CA-SG 3.13Å; C203-C275 HydrophobicContact CB-CB 3.78Å; C203-C275 WeakPolarHBondContact CB-SG 3.42Å; C203-C275 WeakPolarHBondContact SG-CB 3.44Å; C203-C275 CovalentContact SG-SG 2.03Å; C203-C275 PolarHBondContact SG-SG 3.1Å; C203-T276 PolarHBondContact N-O 3.48Å; C203-T276 VanDerWaalsContact N-O 3.09Å; C203-C277 VanDerWaalsContact SG-SG 3.64Å; C203-C287 VanDerWaalsContact CB-SG 3.59Å; C203-F290 HydrophobicContact CB-CD1 3.77Å; C203-F290 HydrophobicContact CB-CE1 4.12Å; C203-F290 WeakPolarHBondContact O-CE1 3.38Å
204L95.9Very high93.5Very high12 Ų1258.6 Ų58.66%0.06328%0.28CS..Hα-helixtrans-71-35174-65.4178000113.1T202 R207 R208 Q283 D286 C287T202-L204 PolarHBondContact O-N 3.11Å; L204-R207 PolarHBondContact O-N 3.39Å; L204-R208 WeakPolarHBondContact O-CB 3.5Å; L204-R208 WeakPolarHBondContact O-CG 3.37Å; L204-R208 PolarHBondContact O-N 3.44Å; L204-R208 PolarHBondContact O-NE 2.91Å; L204-Q283 HydrophobicContact CD1-CB 3.53Å; L204-Q283 HydrophobicContact CD1-CG 4.38Å; L204-D286 HydrophobicContact CD1-CB 4.43Å; L204-D286 HydrophobicContact CD2-CB 4.43Å; L204-C287 HydrophobicContact CD1-CB 3.97Å; L204-C287 HydrophobicContact CG-CB 3.87Å
205E95.1Very high93.6Very high79 Ų7960 Ų6037%0.36929%0.287SS..Hα-helixtrans-64.8-45171-179.3-177.8-17900111P201 T202 R207 R208 T209P201-E205 HydrophobicContact CB-CB 4.45Å; P201-E205 HydrophobicContact CB-CG 4.38Å; P201-E205 WeakPolarHBondContact CB-OE2 3.42Å; T202-E205 WeakPolarHBondContact O-CB 3.48Å; T202-E205 PolarHBondContact O-N 3.35Å; T202-E205 VanDerWaalsContact O-N 3.13Å; T202-E205 WeakPolarHBondContact OG1-CB 3.45Å; T202-E205 PolarHBondContact OG1-N 3.38Å; T202-E205 VanDerWaalsContact OG1-N 3.12Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-N 2.88Å; E205-R208 WeakPolarHBondContact O-CB 3.46Å; E205-R208 PolarHBondContact O-N 2.03Å; E205-R208 VanDerWaalsContact O-N 3.11Å; E205-T209 PolarHBondContact O-N 3.48Å; E205-T209 PolarHBondContact O-OG1 3.17Å
206L95.6Very high93.7Very high15 Ų1559.7 Ų59.78%0.07929%0.286CS..Hα-helixtrans-59.6-42.5176-165.464.4000111.7P201 T202 C203 T209 C210 D256 V257 L273 C275P201-L206 HydrophobicContact CG-CD1 4.47Å; T202-L206 PolarHBondContact O-N 2.9Å; C203-L206 PolarHBondContact O-N 3Å; L206-T209 PolarHBondContact O-N 3.48Å; L206-C210 WeakPolarHBondContact O-CB 3.45Å; L206-C210 PolarHBondContact O-N 3.36Å; L206-D256 HydrophobicContact CD1-CB 4.43Å; L206-D256 WeakPolarHBondContact CD1-O 3.02Å; L206-V257 HydrophobicContact CD2-CG1 4.28Å; L206-V257 HydrophobicContact CG-CG1 3.98Å; L206-L273 HydrophobicContact CD2-CB 4.24Å; L206-L273 HydrophobicContact CD2-CD1 4.35Å; L206-C275 HydrophobicContact CD2-CB 4.18Å
207R95.7Very high93.9Very high25 Ų2557 Ų579%0.09427%0.273CS..Hα-helixtrans-61.4-43.9173.4-179176.2165.2-142.8-7.5111.8F65 C203 L204 E205 C210 R211 L220 F290F65-R207 PolarHBondContact O-NH2 3.46Å; C203-R207 WeakPolarHBondContact O-CB 3.39Å; C203-R207 PolarHBondContact O-N 3.45Å; L204-R207 PolarHBondContact O-N 3.39Å; E205-R207 VanDerWaalsContact C-N 3.3Å; E205-R207 PolarHBondContact O-N 2.88Å; R207-C210 PolarHBondContact O-N 3.17Å; R207-R211 WeakPolarHBondContact O-CG 3.35Å; R207-R211 PolarHBondContact O-N 2.97Å; R207-L220 HydrophobicContact CG-CD2 4.36Å; R207-F290 HydrophobicContact CB-CD1 4.35Å; R207-F290 HydrophobicContact CB-CE1 3.9Å; R207-F290 HydrophobicContact CB-CE2 4.4Å; R207-F290 HydrophobicContact CB-CZ 3.93Å; R207-F290 HydrophobicContact CG-CE2 4.31Å; R207-F290 HydrophobicContact CG-CZ 4.31Å
208R94.3Very high94.4Very high137 Ų13752.9 Ų52.952%0.51725%0.254SS..Hα-helixtrans-61.4-46.5176.9-80.2-178.5-103.2121.7-7.9111.8L204 E205 C210 R211 S212L204-R208 WeakPolarHBondContact O-CB 3.5Å; L204-R208 WeakPolarHBondContact O-CG 3.37Å; L204-R208 PolarHBondContact O-N 3.44Å; L204-R208 PolarHBondContact O-NE 2.91Å; E205-R208 WeakPolarHBondContact O-CB 3.46Å; E205-R208 PolarHBondContact O-N 2.03Å; E205-R208 VanDerWaalsContact O-N 3.11Å; R208-C210 VanDerWaalsContact C-N 3.34Å; R208-C210 PolarHBondContact O-N 3.38Å; R208-R211 PolarHBondContact O-N 3.07Å; R208-S212 PolarHBondContact O-N 2.65Å
209T95.3Very high95.1Very high63 Ų6344.1 Ų44.139%0.38722%0.22SC..Hα-helixtrans-58.3-47.2175.4-57.90000110.9E205 L206 R211 S212 D256E205-T209 PolarHBondContact O-N 3.48Å; E205-T209 PolarHBondContact O-OG1 3.17Å; L206-T209 PolarHBondContact O-N 3.48Å; T209-R211 PolarHBondContact O-N 2.99Å; T209-S212 WeakPolarHBondContact O-CB 3.43Å; T209-S212 PolarHBondContact O-N 2.83Å; T209-S212 VanDerWaalsContact O-N 3.12Å; T209-S212 PolarHBondContact O-OG 3.43Å; T209-D256 HydrophobicContact CG2-CB 4.39Å
210C96.1Very high95.5Very high0 Ų038.1 Ų38.10%019%0.193CC..Hα-helixtrans-61.4-40.4176.9-176.20000113.4L206 R207 R208 S212 D213 C216 R217 V257L206-C210 WeakPolarHBondContact O-CB 3.45Å; L206-C210 PolarHBondContact O-N 3.36Å; R207-C210 PolarHBondContact O-N 3.17Å; R208-C210 VanDerWaalsContact C-N 3.34Å; R208-C210 PolarHBondContact O-N 3.38Å; C210-S212 PolarHBondContact O-N 3.48Å; C210-D213 PolarHBondContact O-N 2.65Å; C210-D213 VanDerWaalsContact O-N 3.11Å; C210-C216 WeakPolarHBondContact CA-SG 3.15Å; C210-C216 HydrophobicContact CB-CB 4.09Å; C210-C216 WeakPolarHBondContact CB-SG 3.27Å; C210-C216 WeakPolarHBondContact O-CB 3.4Å; C210-C216 WeakPolarHBondContact SG-CB 3.46Å; C210-C216 PolarHBondContact SG-O 3.08Å; C210-C216 VanDerWaalsContact SG-O 3.39Å; C210-C216 CovalentContact SG-SG 2.04Å; C210-C216 PolarHBondContact SG-SG 2.96Å; C210-R217 PolarHBondContact O-N 3.08Å; C210-V257 HydrophobicContact CB-CG1 3.78Å; C210-V257 HydrophobicContact CB-CG2 4.42Å; C210-V257 VanDerWaalsContact SG-CG2 3.58Å
211R93.8Very high95.7Very high71 Ų7134 Ų3427%0.26818%0.175SC..Hα-helixtrans-65.1-21.9177.6-74178.883.4-166.73.7113.2E67 R207 R208 T209 D213 R217E67-R211 IonicContact OE1-CZ 3.15Å; E67-R211 IonicContact OE1-NE 2.68Å; E67-R211 PolarHBondContact OE1-NE 3.27Å; E67-R211 IonicContact OE1-NH2 3.66Å; E67-R211 PolarHBondContact OE1-NH2 2.68Å; R207-R211 WeakPolarHBondContact O-CG 3.35Å; R207-R211 PolarHBondContact O-N 2.97Å; R208-R211 PolarHBondContact O-N 3.07Å; T209-R211 PolarHBondContact O-N 2.99Å; R211-D213 VanDerWaalsContact C-N 3.33Å; R211-R217 HydrophobicContact CG-CG 4.34Å
212S92.8Very high95.8Very high104 Ų10433.4 Ų33.473%0.72717%0.171SC*.Hα-helixtrans-75.7-19.6174.978.30000113.6R208 T209 C210R208-S212 PolarHBondContact O-N 2.65Å; T209-S212 WeakPolarHBondContact O-CB 3.43Å; T209-S212 PolarHBondContact O-N 2.83Å; T209-S212 VanDerWaalsContact O-N 3.12Å; T209-S212 PolarHBondContact O-OG 3.43Å; C210-S212 PolarHBondContact O-N 3.48Å
213D94.6Very high95.8Very high69 Ų6931.8 Ų31.837%0.36916%0.161SC..SBendtrans-101.2120.3175.7178.4-99.4000110.6C210 R211 L215 C216 R217C210-D213 PolarHBondContact O-N 2.65Å; C210-D213 VanDerWaalsContact O-N 3.11Å; R211-D213 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 3.14Å; D213-L215 WeakPolarHBondContact OD1-CA 3.13Å; D213-L215 WeakPolarHBondContact OD1-CB 3.25Å; D213-L215 PolarHBondContact OD1-N 3.46Å; D213-L215 VanDerWaalsContact OD1-N 3.16Å; D213-C216 HydrophobicContact CB-CB 3.94Å; D213-C216 PolarHBondContact O-N 3.43Å; D213-C216 WeakPolarHBondContact OD1-CB 3.5Å; D213-C216 PolarHBondContact OD1-N 3.29Å; D213-R217 VanDerWaalsContact O-CB 3.26Å; D213-R217 WeakPolarHBondContact O-CB 3.34Å; D213-R217 PolarHBondContact O-N 2.88Å
214A94.9Very high95.8Very high20 Ų2032.6 Ų32.617%0.16517%0.165CC..Hα-helixtrans-58.9-33.6-175.800000112.6L46 L49 Q50 S218L46-A214 HydrophobicContact CD1-CB 4.25Å; L49-A214 HydrophobicContact CB-CB 4.36Å; Q50-A214 HydrophobicContact CG-CB 4.1Å; A214-S218 VanDerWaalsContact O-CB 3.32Å; A214-S218 WeakPolarHBondContact O-CB 3.1Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.42Å
215L95.8Very high95.7Very high30 Ų3036 Ų3616%0.15718%0.181CC..Hα-helixtrans-73.5-51.9178.7-175.465.9000110.6L49 D213 R217 S218 R219L49-L215 HydrophobicContact CD1-CB 4.49Å; L49-L215 HydrophobicContact CD1-CD1 3.73Å; D213-L215 PolarHBondContact O-N 3.14Å; D213-L215 WeakPolarHBondContact OD1-CA 3.13Å; D213-L215 WeakPolarHBondContact OD1-CB 3.25Å; D213-L215 PolarHBondContact OD1-N 3.46Å; D213-L215 VanDerWaalsContact OD1-N 3.16Å; L215-R217 PolarHBondContact O-N 2.99Å; L215-S218 PolarHBondContact O-N 2.98Å; L215-R219 HydrophobicContact CD1-CG 4.4Å; L215-R219 VanDerWaalsContact O-CG 3.27Å; L215-R219 WeakPolarHBondContact O-CG 3.28Å; L215-R219 PolarHBondContact O-N 3.07Å
216C97.4Very high95.6Very high1 Ų133.5 Ų33.51%0.00717%0.171CC..Hα-helixtrans-57-50.4179.3-168.90000111.4C210 D213 S218 R219 L220 S255C210-C216 WeakPolarHBondContact CA-SG 3.15Å; C210-C216 HydrophobicContact CB-CB 4.09Å; C210-C216 WeakPolarHBondContact CB-SG 3.27Å; C210-C216 WeakPolarHBondContact O-CB 3.4Å; C210-C216 WeakPolarHBondContact SG-CB 3.46Å; C210-C216 PolarHBondContact SG-O 3.08Å; C210-C216 VanDerWaalsContact SG-O 3.39Å; C210-C216 CovalentContact SG-SG 2.04Å; C210-C216 PolarHBondContact SG-SG 2.96Å; D213-C216 HydrophobicContact CB-CB 3.94Å; D213-C216 PolarHBondContact O-N 3.43Å; D213-C216 WeakPolarHBondContact OD1-CB 3.5Å; D213-C216 PolarHBondContact OD1-N 3.29Å; C216-S218 VanDerWaalsContact C-N 3.3Å; C216-S218 PolarHBondContact O-N 3.43Å; C216-R219 PolarHBondContact O-N 2.82Å; C216-R219 VanDerWaalsContact O-N 3.16Å; C216-L220 WeakPolarHBondContact O-CB 3.42Å; C216-L220 PolarHBondContact O-N 2.96Å; C216-S255 VanDerWaalsContact SG-CB 3.59Å
217R96.3Very high95.6Very high13 Ų1332.9 Ų32.95%0.04917%0.167CC..Hα-helixtrans-52.4-49.2176.3-172.7179.1-177.1162.3-10.3112.1W53 M57 E67 C210 R211 D213 L215 R219 L220 A221W53-R217 HydrophobicContact CH2-CG 4.09Å; W53-R217 HydrophobicContact CZ2-CB 4.45Å; W53-R217 HydrophobicContact CZ2-CG 3.69Å; M57-R217 PolarHBondContact SD-NH1 3.31Å; E67-R217 VanDerWaalsContact CD-NE 3.26Å; E67-R217 IonicContact OE1-CZ 3.87Å; E67-R217 IonicContact OE1-NE 2.7Å; E67-R217 PolarHBondContact OE1-NE 3.24Å; E67-R217 IonicContact OE1-NH2 2.87Å; E67-R217 PolarHBondContact OE1-NH2 2.66Å; E67-R217 WeakPolarHBondContact OE2-CG 3.43Å; E67-R217 IonicContact OE2-CZ 3.78Å; E67-R217 IonicContact OE2-NE 2.7Å; E67-R217 PolarHBondContact OE2-NE 3.11Å; E67-R217 IonicContact OE2-NH2 2.93Å; C210-R217 PolarHBondContact O-N 3.08Å; R211-R217 HydrophobicContact CG-CG 4.34Å; D213-R217 VanDerWaalsContact O-CB 3.26Å; D213-R217 WeakPolarHBondContact O-CB 3.34Å; D213-R217 PolarHBondContact O-N 2.88Å; L215-R217 PolarHBondContact O-N 2.99Å; R217-R219 PolarHBondContact O-N 3.11Å; R217-L220 PolarHBondContact O-N 3.06Å; R217-A221 WeakPolarHBondContact O-CB 3.46Å; R217-A221 PolarHBondContact O-N 2.71Å
218S96.7Very high95.6Very high0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-63.5-42.4-179.7-55.40000112.2L49 W53 P70 A214 L215 C216 L220 D222L49-S218 WeakPolarHBondContact CD2-OG 3.18Å; W53-S218 PolarHBondContact NE1-OG 3.38Å; P70-S218 VanDerWaalsContact CG-CB 3.48Å; P70-S218 WeakPolarHBondContact CG-OG 3.41Å; A214-S218 VanDerWaalsContact O-CB 3.32Å; A214-S218 WeakPolarHBondContact O-CB 3.1Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.42Å; L215-S218 PolarHBondContact O-N 2.98Å; C216-S218 VanDerWaalsContact C-N 3.3Å; C216-S218 PolarHBondContact O-N 3.43Å; S218-L220 VanDerWaalsContact C-N 3.32Å; S218-D222 WeakPolarHBondContact O-CB 3.32Å; S218-D222 PolarHBondContact O-N 2.92Å
219R97.4Very high95.5Very high15 Ų1534.7 Ų34.76%0.05718%0.184CC..Hα-helixtrans-68.9-33.2178.5-62.1-64.2175.7125.48.5111.5E45 Y71 E161 L215 C216 R217 F223 G251 L252E45-R219 IonicContact OE1-CZ 2.65Å; E45-R219 IonicContact OE1-NE 3.67Å; E45-R219 IonicContact OE1-NH2 3.29Å; E45-R219 PolarHBondContact OE1-NH2 3.12Å; E45-R219 IonicContact OE2-NH2 2.66Å; E45-R219 PolarHBondContact OE2-NH2 2.88Å; Y71-R219 PolarHBondContact OH-NE 3.28Å; E161-R219 IonicContact OE1-NH2 3.33Å; L215-R219 HydrophobicContact CD1-CG 4.4Å; L215-R219 VanDerWaalsContact O-CG 3.27Å; L215-R219 WeakPolarHBondContact O-CG 3.28Å; L215-R219 PolarHBondContact O-N 3.07Å; C216-R219 PolarHBondContact O-N 2.82Å; C216-R219 VanDerWaalsContact O-N 3.16Å; R217-R219 PolarHBondContact O-N 3.11Å; R219-F223 PolarHBondContact O-N 3.16Å; R219-G251 WeakPolarHBondContact CG-O 3.31Å; R219-L252 VanDerWaalsContact C-CD2 3.48Å; R219-L252 HydrophobicContact CB-CD2 4Å; R219-L252 WeakPolarHBondContact O-CD2 3.45Å
220L97.8Very high95.1Very high6 Ų633.5 Ų33.53%0.03118%0.176CC..Hα-helixtrans-70-45.5174.9-175.858.7000112.7R207 C216 R217 S218 D222 F223 H224 L252 V257 F290 F294R207-L220 HydrophobicContact CG-CD2 4.36Å; C216-L220 WeakPolarHBondContact O-CB 3.42Å; C216-L220 PolarHBondContact O-N 2.96Å; R217-L220 PolarHBondContact O-N 3.06Å; S218-L220 VanDerWaalsContact C-N 3.32Å; L220-D222 VanDerWaalsContact C-N 3.27Å; L220-D222 PolarHBondContact O-N 3.42Å; L220-F223 PolarHBondContact O-N 3.13Å; L220-H224 VanDerWaalsContact CD1-CE1 3.48Å; L220-H224 WeakPolarHBondContact CD1-CE1 3.05Å; L220-H224 PolarHBondContact O-N 3.37Å; L220-H224 PolarHBondContact O-ND1 3.41Å; L220-L252 HydrophobicContact CB-CD2 4.28Å; L220-L252 HydrophobicContact CD1-CD2 4.38Å; L220-V257 HydrophobicContact CD1-CG2 4.31Å; L220-F290 HydrophobicContact CD1-CE2 4.1Å; L220-F290 HydrophobicContact CD2-CE2 4.09Å; L220-F290 HydrophobicContact CD2-CZ 4.38Å; L220-F294 HydrophobicContact CD1-CZ 4.14Å
221A96.2Very high94.4Very high2 Ų238.5 Ų38.52%0.01721%0.212CC..Hα-helixtrans-56.9-43.7172.300000111.3E67 R217 F223 H224 M225E67-A221 HydrophobicContact CB-CB 4.13Å; E67-A221 WeakPolarHBondContact O-CB 3.42Å; R217-A221 WeakPolarHBondContact O-CB 3.46Å; R217-A221 PolarHBondContact O-N 2.71Å; A221-F223 PolarHBondContact O-N 3.04Å; A221-H224 PolarHBondContact O-N 2.96Å; A221-M225 WeakPolarHBondContact O-CB 3.47Å; A221-M225 PolarHBondContact O-N 2.83Å
222D95.9Very high93.6Very high4 Ų443.6 Ų43.62%0.02124%0.238CC..Hα-helixtrans-64.2-37.7177-162.658.6000113.2R40 S69 Y71 S218 L220 N226 S248R40-D222 IonicContact CZ-OD2 3.95Å; R40-D222 VanDerWaalsContact CZ-OD2 3.29Å; R40-D222 IonicContact NE-OD2 3.9Å; R40-D222 PolarHBondContact NE-OD2 3.14Å; R40-D222 IonicContact NH2-OD2 3.61Å; R40-D222 PolarHBondContact NH2-OD2 2.86Å; S69-D222 WeakPolarHBondContact OG-CB 3.47Å; S69-D222 PolarHBondContact OG-OD1 3.07Å; Y71-D222 HydrophobicContact CD2-CB 4.04Å; S218-D222 WeakPolarHBondContact O-CB 3.32Å; S218-D222 PolarHBondContact O-N 2.92Å; L220-D222 VanDerWaalsContact C-N 3.27Å; L220-D222 PolarHBondContact O-N 3.42Å; D222-N226 WeakPolarHBondContact O-CB 3.16Å; D222-N226 PolarHBondContact O-N 3.09Å; D222-N226 PolarHBondContact O-ND2 3.48Å; D222-N226 PolarHBondContact OD1-ND2 3.23Å; D222-N226 VanDerWaalsContact OD1-ND2 3.1Å; D222-S248 PolarHBondContact O-OG 3.02Å; D222-S248 PolarHBondContact OD2-OG 3.12Å
223F97.6Very high92.9Very high1 Ų140.4 Ų40.40%0.00421%0.214CC..Hα-helixtrans-63.6-49.3172.7172.2-98.7000111.9R219 L220 A221 M225 N226 C227 Y249 L252 D293 F294 L300R219-F223 PolarHBondContact O-N 3.16Å; L220-F223 PolarHBondContact O-N 3.13Å; A221-F223 PolarHBondContact O-N 3.04Å; F223-M225 VanDerWaalsContact C-N 3.25Å; F223-M225 PolarHBondContact O-N 3.25Å; F223-N226 PolarHBondContact O-N 3.31Å; F223-C227 HydrophobicContact CD2-CB 4.03Å; F223-C227 VanDerWaalsContact CD2-SG 3.55Å; F223-C227 HydrophobicContact CE2-CB 3.75Å; F223-C227 WeakPolarHBondContact CE2-SG 3.31Å; F223-C227 HydrophobicContact CZ-CB 4.08Å; F223-C227 VanDerWaalsContact O-CB 3.29Å; F223-C227 WeakPolarHBondContact O-CB 3.39Å; F223-C227 PolarHBondContact O-N 3.17Å; F223-Y249 HydrophobicContact CE2-CD2 4.4Å; F223-L252 HydrophobicContact CB-CD1 3.82Å; F223-L252 HydrophobicContact CB-CD2 4.26Å; F223-L252 HydrophobicContact CB-CG 4.21Å; F223-L252 HydrophobicContact CD1-CD1 4.16Å; F223-L252 HydrophobicContact CD2-CD1 3.88Å; F223-L252 HydrophobicContact CG-CD1 3.67Å; F223-D293 HydrophobicContact CE1-CB 4.35Å; F223-D293 WeakPolarHBondContact CZ-O 3Å; F223-F294 AromaticContact CD1-CE1 3.93Å; F223-F294 HydrophobicContact CD1-CE1 3.93Å; F223-F294 AromaticContact CD1-CZ 3.79Å; F223-F294 HydrophobicContact CD1-CZ 3.79Å; F223-F294 AromaticContact CE1-CD1 3.93Å; F223-F294 HydrophobicContact CE1-CD1 3.93Å; F223-F294 HydrophobicContact CE1-CD2 4.48Å; F223-F294 AromaticContact CE1-CE1 3.45Å; F223-F294 HydrophobicContact CE1-CE1 3.45Å; F223-F294 VanDerWaalsContact CE1-CE1 3.45Å; F223-F294 HydrophobicContact CE1-CE2 4.05Å; F223-F294 HydrophobicContact CE1-CG 4.42Å; F223-F294 AromaticContact CE1-CZ 3.52Å; F223-F294 HydrophobicContact CE1-CZ 3.52Å; F223-F294 HydrophobicContact CE2-CE1 4.26Å; F223-F294 AromaticContact CZ-CD1 3.79Å; F223-F294 HydrophobicContact CZ-CD1 3.79Å; F223-F294 AromaticContact CZ-CE1 3.64Å; F223-F294 HydrophobicContact CZ-CE1 3.64Å; F223-F294 HydrophobicContact CZ-CG 4.47Å; F223-F294 HydrophobicContact CZ-CZ 4.19Å; F223-L300 HydrophobicContact CE2-CD2 4.17Å; F223-L300 HydrophobicContact CZ-CD2 4.26Å
224H96.4Very high92.3Very high17 Ų1743.1 Ų43.18%0.07923%0.233CC..Hα-helixtrans-60.4-38178.8-64.4143.7000111.6Y66 L220 A221 Q228 F290 D293Y66-H224 HydrophobicContact CD1-CB 3.85Å; Y66-H224 AromaticContact CD1-CD2 3.93Å; Y66-H224 AromaticContact CD1-CE1 3.85Å; Y66-H224 AromaticContact CD1-CG 3.51Å; Y66-H224 AromaticContact CD1-ND1 3.48Å; Y66-H224 WeakPolarHBondContact CD1-ND1 3.38Å; Y66-H224 HydrophobicContact CE1-CB 4.39Å; Y66-H224 AromaticContact CE1-CD2 3.74Å; Y66-H224 AromaticContact CE1-CE1 3.97Å; Y66-H224 AromaticContact CE1-CG 3.83Å; Y66-H224 AromaticContact CE1-ND1 3.98Å; Y66-H224 AromaticContact CE1-NE2 3.88Å; L220-H224 VanDerWaalsContact CD1-CE1 3.48Å; L220-H224 WeakPolarHBondContact CD1-CE1 3.05Å; L220-H224 PolarHBondContact O-N 3.37Å; L220-H224 PolarHBondContact O-ND1 3.41Å; A221-H224 PolarHBondContact O-N 2.96Å; H224-Q228 VanDerWaalsContact O-CB 3.29Å; H224-Q228 WeakPolarHBondContact O-CB 3.38Å; H224-Q228 PolarHBondContact O-N 3.36Å; H224-F290 AromaticContact CE1-CE2 3.98Å; H224-F290 AromaticContact NE2-CD2 3.94Å; H224-F290 AromaticContact NE2-CE2 3.82Å; H224-D293 IonicContact CD2-OD2 3.81Å; H224-D293 IonicContact NE2-OD2 3.49Å
225M93.8Very high91.7Very high84 Ų8442.8 Ų42.841%0.41423%0.229SC..Hα-helixtrans-70.9-41.5179.1-172.8172172.700113.5A221 F223A221-M225 WeakPolarHBondContact O-CB 3.47Å; A221-M225 PolarHBondContact O-N 2.83Å; F223-M225 VanDerWaalsContact C-N 3.25Å; F223-M225 PolarHBondContact O-N 3.25Å
226N94Very high91.5Very high27 Ų2742.8 Ų42.814%0.14423%0.232CC..Hα-helixtrans-91.4-19-174.5-69.2-76.3000114.2D222 F223 P238 C245 S248D222-N226 WeakPolarHBondContact O-CB 3.16Å; D222-N226 PolarHBondContact O-N 3.09Å; D222-N226 PolarHBondContact O-ND2 3.48Å; D222-N226 PolarHBondContact OD1-ND2 3.23Å; D222-N226 VanDerWaalsContact OD1-ND2 3.1Å; F223-N226 PolarHBondContact O-N 3.31Å; N226-P238 WeakPolarHBondContact O-CD 3.35Å; N226-C245 WeakPolarHBondContact O-CB 3.02Å; N226-S248 WeakPolarHBondContact CB-OG 3.32Å; N226-S248 PolarHBondContact ND2-OG 3.13Å; N226-S248 VanDerWaalsContact ND2-OG 3.08Å
227C95.9Very high91.2Very high1 Ų142.8 Ų42.81%0.00723%0.231CC..SBendtrans-111.710.8178.3-63.50000112.9F223 M229 C245 N297F223-C227 HydrophobicContact CD2-CB 4.03Å; F223-C227 VanDerWaalsContact CD2-SG 3.55Å; F223-C227 HydrophobicContact CE2-CB 3.75Å; F223-C227 WeakPolarHBondContact CE2-SG 3.31Å; F223-C227 HydrophobicContact CZ-CB 4.08Å; F223-C227 VanDerWaalsContact O-CB 3.29Å; F223-C227 WeakPolarHBondContact O-CB 3.39Å; F223-C227 PolarHBondContact O-N 3.17Å; C227-M229 PolarHBondContact O-N 3.23Å; C227-C245 HydrophobicContact CB-CB 4.09Å; C227-C245 WeakPolarHBondContact CB-SG 3.47Å; C227-C245 VanDerWaalsContact SG-C 3.55Å; C227-C245 WeakPolarHBondContact SG-CA 3.49Å; C227-C245 WeakPolarHBondContact SG-CB 3.48Å; C227-C245 PolarHBondContact SG-O 3.39Å; C227-C245 CovalentContact SG-SG 2.04Å; C227-C245 PolarHBondContact SG-SG 3.11Å; C227-N297 PolarHBondContact O-ND2 2.82Å; C227-N297 PolarHBondContact O-OD1 2.96Å
228Q93.9Very high90.9Very high116 Ų11643 Ų4354%0.54223%0.234SC..  trans-57128.1175.7-166.4173.74.400109.8H224 T230 P238H224-Q228 VanDerWaalsContact O-CB 3.29Å; H224-Q228 WeakPolarHBondContact O-CB 3.38Å; H224-Q228 PolarHBondContact O-N 3.36Å; Q228-T230 PolarHBondContact O-N 3.47Å; Q228-P238 HydrophobicContact CB-CG 4.15Å; Q228-P238 VanDerWaalsContact O-CD 3.25Å; Q228-P238 WeakPolarHBondContact O-CD 3.2Å; Q228-P238 WeakPolarHBondContact O-CG 3.32Å
229M92.3Very high90.4Very high85 Ų8552.2 Ų52.242%0.41927%0.271SS..  trans-67.2125.3174.2-70.3-172.1-74.400110C227 H296 T298C227-M229 PolarHBondContact O-N 3.23Å; M229-H296 VanDerWaalsContact CE-O 3.28Å; M229-H296 WeakPolarHBondContact CE-O 3.37Å; M229-T298 PolarHBondContact SD-N 2.94Å
230T87.4Confident89.8Confident37 Ų3755.1 Ų55.123%0.22729%0.287CS..  trans-116.8123.6176.849.70000108.9Q228 H232 T233 S236 C237 P238Q228-T230 PolarHBondContact O-N 3.47Å; T230-H232 PolarHBondContact O-N 3.14Å; T230-T233 PolarHBondContact O-OG1 3.38Å; T230-T233 WeakPolarHBondContact OG1-CG2 3.05Å; T230-T233 PolarHBondContact OG1-OG1 3.41Å; T230-S236 PolarHBondContact N-O 2.93Å; T230-S236 WeakPolarHBondContact O-CA 3.28Å; T230-S236 PolarHBondContact OG1-O 3.43Å; T230-C237 VanDerWaalsContact OG1-C 3.26Å; T230-C237 PolarHBondContact OG1-O 3.2Å; T230-P238 HydrophobicContact CG2-CG 4.23Å
231S80.8Confident89.3Confident106 Ų10656.5 Ų56.574%0.74130%0.295SS*.THydrogen-bonded Turntrans-72.9-16-177.345.20000114
232H76.7Confident89Confident178 Ų17859 Ų5982%0.82430%0.304SS*.THydrogen-bonded Turntrans-102.1-1.4-169.8-56.9-68.4000114.1T230T230-H232 PolarHBondContact O-N 3.14Å
233T79.9Confident88.7Confident36 Ų3661.3 Ų61.322%0.22132%0.316CS..SBendtrans-106.5150.4-17863.50000110.5T230 T235 S236 C237 D240T230-T233 PolarHBondContact O-OG1 3.38Å; T230-T233 WeakPolarHBondContact OG1-CG2 3.05Å; T230-T233 PolarHBondContact OG1-OG1 3.41Å; T233-T235 VanDerWaalsContact C-N 3.25Å; T233-T235 PolarHBondContact O-N 2.82Å; T233-S236 PolarHBondContact O-N 2.87Å; T233-S236 VanDerWaalsContact OG1-C 3.26Å; T233-S236 WeakPolarHBondContact OG1-CA 3.48Å; T233-S236 PolarHBondContact OG1-N 3.25Å; T233-C237 WeakPolarHBondContact CB-O 3.31Å; T233-C237 WeakPolarHBondContact CG2-O 2.99Å; T233-C237 PolarHBondContact OG1-N 3.45Å; T233-C237 PolarHBondContact OG1-O 2.89Å; T233-C237 VanDerWaalsContact OG1-O 3.05Å; T233-D240 WeakPolarHBondContact CB-OD1 3.32Å
234V81.3Confident88.4Confident126 Ų12661.3 Ų61.376%0.76432%0.316SS*.THydrogen-bonded Turntrans-64.7-36.6-177.2178.60000110.7S236 D240V234-S236 VanDerWaalsContact C-N 3.35Å; V234-D240 PolarHBondContact N-OD1 2.01Å
235T82.7Confident88.3Confident14 Ų1460.5 Ų60.59%0.08631%0.312CS..THydrogen-bonded Turntrans-85.5-8.8-177.661.50000113.8T233 C237 D240 Y242 N302T233-T235 VanDerWaalsContact C-N 3.25Å; T233-T235 PolarHBondContact O-N 2.82Å; T235-C237 PolarHBondContact O-N 3.07Å; T235-C237 WeakPolarHBondContact OG1-CB 3.39Å; T235-C237 PolarHBondContact OG1-N 3.26Å; T235-C237 VanDerWaalsContact OG1-N 3.09Å; T235-D240 WeakPolarHBondContact CB-OD1 3.44Å; T235-D240 HydrophobicContact CG2-CB 3.83Å; T235-D240 VanDerWaalsContact CG2-OD1 3.25Å; T235-D240 WeakPolarHBondContact CG2-OD1 3.29Å; T235-D240 PolarHBondContact N-OD1 3.35Å; T235-D240 VanDerWaalsContact OG1-CA 3.28Å; T235-D240 WeakPolarHBondContact OG1-CA 3.48Å; T235-D240 PolarHBondContact OG1-OD1 3.41Å; T235-Y242 WeakPolarHBondContact CA-OH 3.46Å; T235-Y242 VanDerWaalsContact CB-CE1 3.41Å; T235-Y242 VanDerWaalsContact CB-CZ 3.41Å; T235-Y242 WeakPolarHBondContact CB-OH 3.44Å; T235-Y242 HydrophobicContact CG2-CD2 4.38Å; T235-Y242 HydrophobicContact CG2-CE1 3.86Å; T235-Y242 HydrophobicContact CG2-CE2 3.7Å; T235-Y242 WeakPolarHBondContact CG2-OH 3.46Å; T235-N302 PolarHBondContact O-ND2 3.07Å
236S90.9Very high88.4Confident30 Ų3056.5 Ų56.521%0.2129%0.293CS..SBendtrans62.95-163.4-48.40000114.9T230 T233 V234 C299T230-S236 PolarHBondContact N-O 2.93Å; T230-S236 WeakPolarHBondContact O-CA 3.28Å; T230-S236 PolarHBondContact OG1-O 3.43Å; T233-S236 PolarHBondContact O-N 2.87Å; T233-S236 VanDerWaalsContact OG1-C 3.26Å; T233-S236 WeakPolarHBondContact OG1-CA 3.48Å; T233-S236 PolarHBondContact OG1-N 3.25Å; V234-S236 VanDerWaalsContact C-N 3.35Å; S236-C299 WeakPolarHBondContact O-CB 3.46Å
237C91.1Very high88.4Confident0 Ų056.7 Ų56.70%029%0.293CS..SBendtrans-101.9152179.4-650000112.3T230 T233 T235 Y239 D240 Y242 C299T230-C237 VanDerWaalsContact OG1-C 3.26Å; T230-C237 PolarHBondContact OG1-O 3.2Å; T233-C237 WeakPolarHBondContact CB-O 3.31Å; T233-C237 WeakPolarHBondContact CG2-O 2.99Å; T233-C237 PolarHBondContact OG1-N 3.45Å; T233-C237 PolarHBondContact OG1-O 2.89Å; T233-C237 VanDerWaalsContact OG1-O 3.05Å; T235-C237 PolarHBondContact O-N 3.07Å; T235-C237 WeakPolarHBondContact OG1-CB 3.39Å; T235-C237 PolarHBondContact OG1-N 3.26Å; T235-C237 VanDerWaalsContact OG1-N 3.09Å; C237-Y239 PolarHBondContact O-N 3.34Å; C237-D240 PolarHBondContact O-N 3.08Å; C237-Y242 VanDerWaalsContact SG-CD1 3.56Å; C237-C299 WeakPolarHBondContact CA-SG 3.48Å; C237-C299 HydrophobicContact CB-CB 4.01Å; C237-C299 WeakPolarHBondContact CB-SG 3.35Å; C237-C299 WeakPolarHBondContact SG-CA 3.36Å; C237-C299 WeakPolarHBondContact SG-CB 3.47Å; C237-C299 CovalentContact SG-SG 2.03Å; C237-C299 PolarHBondContact SG-SG 3.02Å
238P90.1Very high88.5Confident18 Ų1856.7 Ų56.712%0.11729%0.293CS..G310 helixtrans-59132.3173.6-2135.4000110.7N226 Q228 T230 D240 N241N226-P238 WeakPolarHBondContact O-CD 3.35Å; Q228-P238 HydrophobicContact CB-CG 4.15Å; Q228-P238 VanDerWaalsContact O-CD 3.25Å; Q228-P238 WeakPolarHBondContact O-CD 3.2Å; Q228-P238 WeakPolarHBondContact O-CG 3.32Å; T230-P238 HydrophobicContact CG2-CG 4.23Å; P238-D240 PolarHBondContact O-N 3.5Å; P238-N241 PolarHBondContact O-N 2.69Å; P238-N241 VanDerWaalsContact O-N 3.11Å
239Y86.5Confident88.7Confident193 Ų19351.1 Ų51.176%0.75727%0.267SS*.G310 helixtrans54.723.8-179.9-47.9-74.7000115.1C237 N241C237-Y239 PolarHBondContact O-N 3.34Å; Y239-N241 PolarHBondContact O-N 2.73Å
240D85.6Confident88.9Confident76 Ų7647.5 Ų47.541%0.40625%0.249SC..G310 helixtrans52.532.5-173.4-66.1-61.5000114.5T233 V234 T235 C237 P238 Y242T233-D240 WeakPolarHBondContact CB-OD1 3.32Å; V234-D240 PolarHBondContact N-OD1 2.01Å; T235-D240 WeakPolarHBondContact CB-OD1 3.44Å; T235-D240 HydrophobicContact CG2-CB 3.83Å; T235-D240 VanDerWaalsContact CG2-OD1 3.25Å; T235-D240 WeakPolarHBondContact CG2-OD1 3.29Å; T235-D240 PolarHBondContact N-OD1 3.35Å; T235-D240 VanDerWaalsContact OG1-CA 3.28Å; T235-D240 WeakPolarHBondContact OG1-CA 3.48Å; T235-D240 PolarHBondContact OG1-OD1 3.41Å; C237-D240 PolarHBondContact O-N 3.08Å; P238-D240 PolarHBondContact O-N 3.5Å; D240-Y242 PolarHBondContact O-N 3.41Å
241N86.3Confident89.4Confident36 Ų3646.3 Ų46.319%0.19324%0.244CC..  trans-100.882.5-172.3-171.75.4000113P238 Y239 I243 G244 C245P238-N241 PolarHBondContact O-N 2.69Å; P238-N241 VanDerWaalsContact O-N 3.11Å; Y239-N241 PolarHBondContact O-N 2.73Å; N241-I243 VanDerWaalsContact C-N 3.28Å; N241-I243 PolarHBondContact O-N 3.43Å; N241-I243 PolarHBondContact OD1-N 2.04Å; N241-G244 PolarHBondContact O-N 3.12Å; N241-G244 PolarHBondContact OD1-N 3.26Å; N241-C245 PolarHBondContact O-N 3.27Å
242Y90.1Very high90.2Very high55 Ų5541.2 Ų41.222%0.21621%0.209CC..Hα-helixtrans-56.8-40.7173.5-71.2-40.6000113T235 C237 D240 G244 C245 L246 N302 A303T235-Y242 WeakPolarHBondContact CA-OH 3.46Å; T235-Y242 VanDerWaalsContact CB-CE1 3.41Å; T235-Y242 VanDerWaalsContact CB-CZ 3.41Å; T235-Y242 WeakPolarHBondContact CB-OH 3.44Å; T235-Y242 HydrophobicContact CG2-CD2 4.38Å; T235-Y242 HydrophobicContact CG2-CE1 3.86Å; T235-Y242 HydrophobicContact CG2-CE2 3.7Å; T235-Y242 WeakPolarHBondContact CG2-OH 3.46Å; C237-Y242 VanDerWaalsContact SG-CD1 3.56Å; D240-Y242 PolarHBondContact O-N 3.41Å; Y242-G244 VanDerWaalsContact C-N 3.35Å; Y242-G244 PolarHBondContact O-N 2.93Å; Y242-C245 PolarHBondContact O-N 3.02Å; Y242-L246 WeakPolarHBondContact O-CG 3.31Å; Y242-L246 PolarHBondContact O-N 2.93Å; Y242-N302 HydrophobicContact CE1-CB 3.64Å; Y242-A303 VanDerWaalsContact CD1-CA 3.45Å; Y242-A303 HydrophobicContact CD1-CB 3.56Å; Y242-A303 HydrophobicContact CE1-CB 4.39Å; Y242-A303 HydrophobicContact CG-CB 4.02Å
243I89.2Confident91.3Very high52 Ų5232.9 Ų32.927%0.26717%0.171SC..Hα-helixtrans-67.9-38.8-175.4-52.3-60.3000110.7F76 N241 C245 L246 M247F76-I243 HydrophobicContact CE1-CG2 4.39Å; F76-I243 HydrophobicContact CE2-CB 3.73Å; F76-I243 HydrophobicContact CE2-CG2 3.41Å; F76-I243 VanDerWaalsContact CE2-CG2 3.41Å; F76-I243 HydrophobicContact CZ-CB 4.17Å; F76-I243 HydrophobicContact CZ-CG2 3.33Å; N241-I243 VanDerWaalsContact C-N 3.28Å; N241-I243 PolarHBondContact O-N 3.43Å; N241-I243 PolarHBondContact OD1-N 2.04Å; I243-C245 VanDerWaalsContact C-N 3.34Å; I243-C245 PolarHBondContact O-N 2.99Å; I243-L246 HydrophobicContact CD1-CD1 4.49Å; I243-L246 PolarHBondContact O-N 3.12Å; I243-M247 HydrophobicContact CG2-CE 3.97Å; I243-M247 HydrophobicContact CG2-CG 4.34Å; I243-M247 HydrophobicContact CG2-SD 4.36Å; I243-M247 WeakPolarHBondContact O-CB 3.29Å; I243-M247 WeakPolarHBondContact O-CE 3.13Å; I243-M247 WeakPolarHBondContact O-CG 3.25Å; I243-M247 PolarHBondContact O-N 3.13Å
244G91.3Very high92Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-52.3-52171.100000111.6N241 Y242 L246 M247 S248N241-G244 PolarHBondContact O-N 3.12Å; N241-G244 PolarHBondContact OD1-N 3.26Å; Y242-G244 VanDerWaalsContact C-N 3.35Å; Y242-G244 PolarHBondContact O-N 2.93Å; G244-L246 PolarHBondContact O-N 3.3Å; G244-M247 PolarHBondContact O-N 3.11Å; G244-S248 PolarHBondContact O-N 3.09Å; G244-S248 PolarHBondContact O-OG 2.86Å
245C95.3Very high92.8Very high0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-61.7-45.6177.9179.20000112.9N226 C227 N241 Y242 I243 M247 S248 Y249N226-C245 WeakPolarHBondContact O-CB 3.02Å; C227-C245 HydrophobicContact CB-CB 4.09Å; C227-C245 WeakPolarHBondContact CB-SG 3.47Å; C227-C245 VanDerWaalsContact SG-C 3.55Å; C227-C245 WeakPolarHBondContact SG-CA 3.49Å; C227-C245 WeakPolarHBondContact SG-CB 3.48Å; C227-C245 PolarHBondContact SG-O 3.39Å; C227-C245 CovalentContact SG-SG 2.04Å; C227-C245 PolarHBondContact SG-SG 3.11Å; N241-C245 PolarHBondContact O-N 3.27Å; Y242-C245 PolarHBondContact O-N 3.02Å; I243-C245 VanDerWaalsContact C-N 3.34Å; I243-C245 PolarHBondContact O-N 2.99Å; C245-M247 PolarHBondContact O-N 3.12Å; C245-S248 PolarHBondContact O-N 2.88Å; C245-Y249 WeakPolarHBondContact O-CB 3.05Å; C245-Y249 PolarHBondContact O-N 3.48Å
246L95.8Very high93.3Very high1 Ų127.5 Ų27.51%0.00514%0.136CC..Hα-helixtrans-62-40.9178.5-66.3174.8000112.4Y169 F173 Y242 I243 G244 Y249 V250 A303 I304 F307Y169-L246 HydrophobicContact CE2-CB 4.26Å; F173-L246 HydrophobicContact CD1-CD2 4.3Å; F173-L246 HydrophobicContact CD2-CD2 4.33Å; F173-L246 HydrophobicContact CE1-CD2 3.96Å; F173-L246 HydrophobicContact CE2-CB 4.19Å; F173-L246 HydrophobicContact CE2-CD2 4Å; F173-L246 HydrophobicContact CE2-CG 4.5Å; F173-L246 HydrophobicContact CG-CD2 4.47Å; F173-L246 HydrophobicContact CZ-CB 4.36Å; F173-L246 HydrophobicContact CZ-CD2 3.78Å; Y242-L246 WeakPolarHBondContact O-CG 3.31Å; Y242-L246 PolarHBondContact O-N 2.93Å; I243-L246 HydrophobicContact CD1-CD1 4.49Å; I243-L246 PolarHBondContact O-N 3.12Å; G244-L246 PolarHBondContact O-N 3.3Å; L246-Y249 WeakPolarHBondContact O-CB 3.03Å; L246-Y249 PolarHBondContact O-N 3.34Å; L246-V250 VanDerWaalsContact O-CG2 3.27Å; L246-V250 WeakPolarHBondContact O-CG2 3.4Å; L246-V250 PolarHBondContact O-N 2.7Å; L246-A303 HydrophobicContact CD1-CB 4.44Å; L246-A303 HydrophobicContact CD2-CB 3.88Å; L246-A303 HydrophobicContact CG-CB 3.91Å; L246-I304 HydrophobicContact CD2-CG1 3.8Å; L246-F307 HydrophobicContact CD1-CB 3.88Å; L246-F307 HydrophobicContact CD1-CD2 3.92Å; L246-F307 HydrophobicContact CD1-CG 4.17Å
247M94Very high93.6Very high31 Ų3126 Ų2615%0.15313%0.126CC..Hα-helixtrans-64.7-40.2176.1-76.1-175.1-63.300112.6R40 I74 F76 Y169 I243 G244 C245 G251R40-M247 PolarHBondContact NH1-O 3.12Å; I74-M247 HydrophobicContact CB-CE 3.92Å; I74-M247 HydrophobicContact CD1-CB 4.28Å; I74-M247 HydrophobicContact CD1-CE 3.43Å; I74-M247 VanDerWaalsContact CD1-CE 3.43Å; I74-M247 HydrophobicContact CD1-SD 4.06Å; I74-M247 HydrophobicContact CG1-CE 4.23Å; I74-M247 HydrophobicContact CG2-CE 3.43Å; I74-M247 VanDerWaalsContact CG2-CE 3.43Å; I74-M247 HydrophobicContact CG2-SD 4.18Å; F76-M247 HydrophobicContact CE2-CE 3.33Å; F76-M247 HydrophobicContact CE2-SD 4.25Å; F76-M247 HydrophobicContact CZ-CE 3.49Å; F76-M247 VanDerWaalsContact CZ-CE 3.49Å; F76-M247 HydrophobicContact CZ-SD 3.77Å; Y169-M247 HydrophobicContact CE2-CG 4.26Å; Y169-M247 WeakPolarHBondContact OH-CA 3.31Å; Y169-M247 WeakPolarHBondContact OH-CG 3.48Å; I243-M247 HydrophobicContact CG2-CE 3.97Å; I243-M247 HydrophobicContact CG2-CG 4.34Å; I243-M247 HydrophobicContact CG2-SD 4.36Å; I243-M247 WeakPolarHBondContact O-CB 3.29Å; I243-M247 WeakPolarHBondContact O-CE 3.13Å; I243-M247 WeakPolarHBondContact O-CG 3.25Å; I243-M247 PolarHBondContact O-N 3.13Å; G244-M247 PolarHBondContact O-N 3.11Å; C245-M247 PolarHBondContact O-N 3.12Å; M247-G251 PolarHBondContact O-N 3.34Å
248S96.6Very high93.9Very high0 Ų026.2 Ų26.20%013%0.127CC..Hα-helixtrans-69-40.3177.2-57.10000111.2D222 N226 G244 C245 G251 L252D222-S248 PolarHBondContact O-OG 3.02Å; D222-S248 PolarHBondContact OD2-OG 3.12Å; N226-S248 WeakPolarHBondContact CB-OG 3.32Å; N226-S248 PolarHBondContact ND2-OG 3.13Å; N226-S248 VanDerWaalsContact ND2-OG 3.08Å; G244-S248 PolarHBondContact O-N 3.09Å; G244-S248 PolarHBondContact O-OG 2.86Å; C245-S248 PolarHBondContact O-N 2.88Å; S248-G251 WeakPolarHBondContact O-CA 3.24Å; S248-G251 PolarHBondContact O-N 3.07Å; S248-G251 VanDerWaalsContact O-N 3.17Å; S248-L252 PolarHBondContact O-N 2.89Å
249Y98.1Very high94.3Very high0 Ų025.4 Ų25.40%012%0.122CC..Hα-helixtrans-56.9-51.9170.4174.2-87.6000112.5L172 F173 F223 C245 L246 G251 L252 I253 P259 I271 L300L172-Y249 HydrophobicContact CD2-CD1 4.45Å; L172-Y249 HydrophobicContact CD2-CE1 4.05Å; F173-Y249 AromaticContact CE1-CD1 3.67Å; F173-Y249 HydrophobicContact CE1-CD1 3.67Å; F173-Y249 AromaticContact CE1-CE1 3.64Å; F173-Y249 HydrophobicContact CE1-CE1 3.64Å; F173-Y249 AromaticContact CZ-CD1 3.57Å; F173-Y249 HydrophobicContact CZ-CD1 3.57Å; F173-Y249 AromaticContact CZ-CE1 3.94Å; F173-Y249 HydrophobicContact CZ-CE1 3.94Å; F223-Y249 HydrophobicContact CE2-CD2 4.4Å; C245-Y249 WeakPolarHBondContact O-CB 3.05Å; C245-Y249 PolarHBondContact O-N 3.48Å; L246-Y249 WeakPolarHBondContact O-CB 3.03Å; L246-Y249 PolarHBondContact O-N 3.34Å; Y249-G251 PolarHBondContact O-N 2.58Å; Y249-L252 WeakPolarHBondContact O-CB 3.4Å; Y249-L252 PolarHBondContact O-N 3.03Å; Y249-I253 HydrophobicContact CE1-CD1 4.26Å; Y249-P259 HydrophobicContact CD2-CB 4.41Å; Y249-P259 HydrophobicContact CD2-CG 3.78Å; Y249-P259 HydrophobicContact CE1-CG 4.48Å; Y249-P259 HydrophobicContact CE2-CB 3.63Å; Y249-P259 HydrophobicContact CE2-CG 3.27Å; Y249-I271 HydrophobicContact CE2-CG2 3.58Å; Y249-L300 HydrophobicContact CD2-CD1 3.91Å; Y249-L300 HydrophobicContact CD2-CD2 3.94Å; Y249-L300 HydrophobicContact CE2-CD2 4.3Å; Y249-L300 HydrophobicContact CG-CD1 4.11Å
250V98Very high94.9Very high8 Ų816.2 Ų16.25%0.0489%0.086CC..Hα-helixtrans-60-33.8177.7172.20000110.9F160 Y169 L172 F173 L246 L252 I253F160-V250 HydrophobicContact CB-CG1 3.69Å; F160-V250 HydrophobicContact CD1-CG1 3.52Å; F160-V250 HydrophobicContact CD2-CG1 4.49Å; F160-V250 HydrophobicContact CE1-CG1 4.26Å; F160-V250 HydrophobicContact CG-CG1 3.65Å; Y169-V250 HydrophobicContact CD1-CG2 4.14Å; Y169-V250 HydrophobicContact CE1-CB 4.14Å; Y169-V250 HydrophobicContact CE1-CG1 4.01Å; Y169-V250 HydrophobicContact CE1-CG2 3.63Å; Y169-V250 HydrophobicContact CE2-CG2 4.47Å; L172-V250 HydrophobicContact CD2-CG2 3.67Å; F173-V250 HydrophobicContact CE2-CG2 3.7Å; F173-V250 HydrophobicContact CZ-CG2 3.64Å; L246-V250 VanDerWaalsContact O-CG2 3.27Å; L246-V250 WeakPolarHBondContact O-CG2 3.4Å; L246-V250 PolarHBondContact O-N 2.7Å; V250-L252 PolarHBondContact O-N 3.15Å; V250-I253 WeakPolarHBondContact O-CB 2.9Å; V250-I253 PolarHBondContact O-N 3.07Å
251G96.9Very high95.5Very high12 Ų1213 Ų1312%0.1247%0.068CC..Hα-helixtrans-61.2-21.3175.900000115R219 M247 S248 Y249R219-G251 WeakPolarHBondContact CG-O 3.31Å; M247-G251 PolarHBondContact O-N 3.34Å; S248-G251 WeakPolarHBondContact O-CA 3.24Å; S248-G251 PolarHBondContact O-N 3.07Å; S248-G251 VanDerWaalsContact O-N 3.17Å; Y249-G251 PolarHBondContact O-N 2.58Å
252L98.4Very high95.9Very high0 Ų013.8 Ų13.80%08%0.076CC..THydrogen-bonded Turntrans-81.2-17.9175.2-59.5176.9000112.7R219 L220 F223 S248 Y249 V250 G254 S255 V257 T258 P259 F294R219-L252 VanDerWaalsContact C-CD2 3.48Å; R219-L252 HydrophobicContact CB-CD2 4Å; R219-L252 WeakPolarHBondContact O-CD2 3.45Å; L220-L252 HydrophobicContact CB-CD2 4.28Å; L220-L252 HydrophobicContact CD1-CD2 4.38Å; F223-L252 HydrophobicContact CB-CD1 3.82Å; F223-L252 HydrophobicContact CB-CD2 4.26Å; F223-L252 HydrophobicContact CB-CG 4.21Å; F223-L252 HydrophobicContact CD1-CD1 4.16Å; F223-L252 HydrophobicContact CD2-CD1 3.88Å; F223-L252 HydrophobicContact CG-CD1 3.67Å; S248-L252 PolarHBondContact O-N 2.89Å; Y249-L252 WeakPolarHBondContact O-CB 3.4Å; Y249-L252 PolarHBondContact O-N 3.03Å; V250-L252 PolarHBondContact O-N 3.15Å; L252-G254 PolarHBondContact O-N 3.12Å; L252-S255 VanDerWaalsContact O-CB 3.31Å; L252-S255 WeakPolarHBondContact O-CB 2.91Å; L252-S255 PolarHBondContact O-N 3.38Å; L252-S255 PolarHBondContact O-OG 3.03Å; L252-V257 HydrophobicContact CD2-CG2 3.96Å; L252-T258 PolarHBondContact O-OG1 3.5Å; L252-P259 HydrophobicContact CB-CG 4.21Å; L252-P259 HydrophobicContact CD1-CG 4.29Å; L252-F294 HydrophobicContact CD1-CE1 3.63Å; L252-F294 HydrophobicContact CD1-CZ 4.04Å
253I98.5Very high96.2Very high3 Ų314.4 Ų14.42%0.0158%0.083CC..THydrogen-bonded Turntrans-69.5126.4-175.9-62.1174.9000110.1L156 R157 F160 L172 I189 Y249 V250 T258L156-I253 HydrophobicContact CB-CG2 4.26Å; L156-I253 HydrophobicContact CD1-CG2 4.44Å; R157-I253 WeakPolarHBondContact CG-O 3Å; F160-I253 HydrophobicContact CD2-CB 4.25Å; F160-I253 HydrophobicContact CD2-CG2 3.92Å; F160-I253 HydrophobicContact CE2-CB 4.28Å; F160-I253 HydrophobicContact CE2-CD1 4.02Å; F160-I253 HydrophobicContact CE2-CG2 3.65Å; F160-I253 HydrophobicContact CZ-CD1 4.09Å; L172-I253 HydrophobicContact CD1-CD1 4.12Å; L172-I253 HydrophobicContact CD2-CD1 3.46Å; L172-I253 VanDerWaalsContact CD2-CD1 3.46Å; L172-I253 HydrophobicContact CG-CD1 4.45Å; I189-I253 HydrophobicContact CG2-CD1 4.33Å; I189-I253 HydrophobicContact CG2-CG2 3.93Å; Y249-I253 HydrophobicContact CE1-CD1 4.26Å; V250-I253 WeakPolarHBondContact O-CB 2.9Å; V250-I253 PolarHBondContact O-N 3.07Å; I253-T258 HydrophobicContact CG2-CG2 4.49Å
254G96.5Very high96.5Very high0 Ų014.7 Ų14.70%09%0.086CC..THydrogen-bonded Turntrans83.321.1-173.500000112.7Q153 R157 L252 T258Q153-G254 WeakPolarHBondContact CB-O 3.07Å; R157-G254 WeakPolarHBondContact CD-O 3.44Å; R157-G254 PolarHBondContact NH1-O 3.18Å; L252-G254 PolarHBondContact O-N 3.12Å; G254-T258 PolarHBondContact N-OG1 2.96Å
255S96.1Very high96.7Very high11 Ų1115.9 Ų15.98%0.0779%0.094CC..SBendtrans-108.9-179.3166.276.70000111Q153 C216 L252 V257 T258Q153-S255 PolarHBondContact NE2-O 3.36Å; Q153-S255 VanDerWaalsContact NE2-O 3.14Å; C216-S255 VanDerWaalsContact SG-CB 3.59Å; L252-S255 VanDerWaalsContact O-CB 3.31Å; L252-S255 WeakPolarHBondContact O-CB 2.91Å; L252-S255 PolarHBondContact O-N 3.38Å; L252-S255 PolarHBondContact O-OG 3.03Å; S255-V257 VanDerWaalsContact C-N 3.28Å; S255-V257 PolarHBondContact O-N 3.16Å; S255-V257 WeakPolarHBondContact OG-CG2 3.37Å; S255-V257 PolarHBondContact OG-N 2.86Å; S255-T258 PolarHBondContact N-OG1 3.31Å; S255-T258 VanDerWaalsContact N-OG1 3.07Å; S255-T258 PolarHBondContact O-N 2.94Å; S255-T258 PolarHBondContact O-OG1 3.36Å
256D94.5Very high96.5Very high51 Ų5117.2 Ų17.227%0.27310%0.102SC..THydrogen-bonded Turntrans-66.3-32.4174.5-63.3-40.9000111.9L206 T209 T258L206-D256 HydrophobicContact CD1-CB 4.43Å; L206-D256 WeakPolarHBondContact CD1-O 3.02Å; T209-D256 HydrophobicContact CG2-CB 4.39Å; D256-T258 VanDerWaalsContact C-N 3.29Å; D256-T258 PolarHBondContact O-N 2.03Å
257V96.9Very high96.1Very high0 Ų022.2 Ų22.20%013%0.133CC..THydrogen-bonded Turntrans-92.139.8175-66.80000112.2L206 C210 L220 L252 S255 P259 L273 F290L206-V257 HydrophobicContact CD2-CG1 4.28Å; L206-V257 HydrophobicContact CG-CG1 3.98Å; C210-V257 HydrophobicContact CB-CG1 3.78Å; C210-V257 HydrophobicContact CB-CG2 4.42Å; C210-V257 VanDerWaalsContact SG-CG2 3.58Å; L220-V257 HydrophobicContact CD1-CG2 4.31Å; L252-V257 HydrophobicContact CD2-CG2 3.96Å; S255-V257 VanDerWaalsContact C-N 3.28Å; S255-V257 PolarHBondContact O-N 3.16Å; S255-V257 WeakPolarHBondContact OG-CG2 3.37Å; S255-V257 PolarHBondContact OG-N 2.86Å; V257-P259 WeakPolarHBondContact O-CD 3.49Å; V257-P259 VanDerWaalsContact O-N 3.13Å; V257-L273 HydrophobicContact CB-CD1 4.49Å; V257-L273 HydrophobicContact CB-CD2 4.26Å; V257-L273 VanDerWaalsContact O-CD2 3.28Å; V257-L273 WeakPolarHBondContact O-CD2 3.1Å; V257-F290 HydrophobicContact CG1-CZ 4.31Å
258T98.1Very high96Very high4 Ų424.9 Ų24.93%0.02515%0.148CC..  trans-64110.7179.3-68.70000111.1I189 H195 L252 I253 G254 S255 D256I189-T258 HydrophobicContact CD1-CG2 3.88Å; H195-T258 PolarHBondContact ND1-O 3.11Å; L252-T258 PolarHBondContact O-OG1 3.5Å; I253-T258 HydrophobicContact CG2-CG2 4.49Å; G254-T258 PolarHBondContact N-OG1 2.96Å; S255-T258 PolarHBondContact N-OG1 3.31Å; S255-T258 VanDerWaalsContact N-OG1 3.07Å; S255-T258 PolarHBondContact O-N 2.94Å; S255-T258 PolarHBondContact O-OG1 3.36Å; D256-T258 VanDerWaalsContact C-N 3.29Å; D256-T258 PolarHBondContact O-N 2.03Å
259P98.3Very high95.7Very high0 Ų025.5 Ų25.50%015%0.152CC..  trans-80.3156.6177.635.8-35.2000111Y249 L252 V257 I271 L273 F294Y249-P259 HydrophobicContact CD2-CB 4.41Å; Y249-P259 HydrophobicContact CD2-CG 3.78Å; Y249-P259 HydrophobicContact CE1-CG 4.48Å; Y249-P259 HydrophobicContact CE2-CB 3.63Å; Y249-P259 HydrophobicContact CE2-CG 3.27Å; L252-P259 HydrophobicContact CB-CG 4.21Å; L252-P259 HydrophobicContact CD1-CG 4.29Å; V257-P259 WeakPolarHBondContact O-CD 3.49Å; V257-P259 VanDerWaalsContact O-N 3.13Å; P259-I271 HydrophobicContact CB-CG2 3.87Å; P259-L273 HydrophobicContact CB-CD2 4Å; P259-F294 HydrophobicContact CB-CD1 4.03Å; P259-F294 HydrophobicContact CB-CE1 4.26Å
260N98.4Very high95.6Very high1 Ų127.2 Ų27.21%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-151.9169.3169.3-16020.8000111.1R186 I189 H195 S262 I271 S272R186-N260 PolarHBondContact O-ND2 3.14Å; I189-N260 HydrophobicContact CD1-CB 4.05Å; H195-N260 HydrophobicContact CB-CB 4.47Å; N260-S262 PolarHBondContact O-N 3.41Å; N260-I271 WeakPolarHBondContact O-CA 3.32Å; N260-S272 PolarHBondContact N-O 3.18Å; N260-S272 VanDerWaalsContact N-O 3.12Å; N260-S272 PolarHBondContact O-N 3.41Å
261Y98.1Very high95.6Very high7 Ų727.1 Ų27.13%0.02716%0.161CC..EExtended strand (participates in β ladder)trans-60.2130168.5-59.2-93.8000110.4L172 R185 D263 I269 T270 I271L172-Y261 WeakPolarHBondContact O-CE2 3.31Å; L172-Y261 PolarHBondContact O-OH 3.06Å; R185-Y261 WeakPolarHBondContact CD-OH 3.44Å; R185-Y261 HydrophobicContact CG-CD2 4.23Å; R185-Y261 HydrophobicContact CG-CE1 4.42Å; R185-Y261 HydrophobicContact CG-CE2 3.58Å; R185-Y261 VanDerWaalsContact NE-CE1 3.34Å; Y261-D263 VanDerWaalsContact C-N 3.34Å; Y261-I269 HydrophobicContact CD1-CG2 4.04Å; Y261-I269 HydrophobicContact CE1-CG2 3.74Å; Y261-T270 WeakPolarHBondContact CA-O 3.38Å; Y261-I271 HydrophobicContact CD1-CD1 3.71Å; Y261-I271 HydrophobicContact CD2-CD1 4.45Å; Y261-I271 HydrophobicContact CE1-CD1 3.85Å; Y261-I271 HydrophobicContact CG-CD1 4.03Å
262S95.8Very high95.6Very high53 Ų5327.4 Ų27.437%0.37116%0.161SC..SBendtrans-68-34.7-177.5-53.70000112.4N260 T270 S272N260-S262 PolarHBondContact O-N 3.41Å; S262-T270 PolarHBondContact N-O 3.48Å; S262-T270 PolarHBondContact OG-O 3.31Å; S262-S272 VanDerWaalsContact OG-CB 3.22Å; S262-S272 WeakPolarHBondContact OG-CB 3.29Å; S262-S272 PolarHBondContact OG-OG 3.08Å
263D95.1Very high95.6Very high68 Ų6827.5 Ų27.536%0.36416%0.162SC..SBendtrans-141.8-172.3-178.666.618.6000111.7R186 Y261 S265R186-D263 WeakPolarHBondContact CD-O 3.18Å; Y261-D263 VanDerWaalsContact C-N 3.34Å; D263-S265 WeakPolarHBondContact OD1-CB 3.37Å; D263-S265 PolarHBondContact OD1-N 3.14Å
264N96.1Very high95.5Very high59 Ų5930.5 Ų30.532%0.31617%0.173SC..  trans-103.534.1175.563.4-5.3000111.9A182 E183A182-N264 HydrophobicContact CB-CB 4.33Å; A182-N264 WeakPolarHBondContact CB-O 3.3Å; E183-N264 HydrophobicContact CB-CB 4.02Å
265S95.6Very high95.5Very high24 Ų2430.5 Ų30.517%0.16817%0.173CC..  trans-70.2128.8174.2-172.70000111R185 D263 N268R185-S265 PolarHBondContact NH2-O 3.39Å; D263-S265 WeakPolarHBondContact OD1-CB 3.37Å; D263-S265 PolarHBondContact OD1-N 3.14Å; S265-N268 WeakPolarHBondContact OG-CB 2.99Å; S265-N268 PolarHBondContact OG-N 1.97Å
266P91.1Very high95.5Very high28 Ų2831.7 Ų31.718%0.18218%0.18CC..SBendtrans-68.6-3717624.9-31000112C176C176-P266 HydrophobicContact CB-CB 4.42Å; C176-P266 WeakPolarHBondContact O-CB 3.39Å
267T87.4Confident95.6Very high107 Ų10729.7 Ų29.766%0.65617%0.17SC*.SBendtrans-108.2-37.3-170.353.30000113.9I269T267-I269 PolarHBondContact O-N 2.05Å; T267-I269 VanDerWaalsContact O-N 3.14Å
268N91.2Very high95.3Very high86 Ų8640.1 Ų40.146%0.4621%0.209SC..  trans-89.378.1-179.4-166.912.3000110.8S265 T270S265-N268 WeakPolarHBondContact OG-CB 2.99Å; S265-N268 PolarHBondContact OG-N 1.97Å; N268-T270 PolarHBondContact O-N 3.38Å; N268-T270 VanDerWaalsContact O-N 3.08Å
269I91.6Very high94.6Very high14 Ų1443.8 Ų43.87%0.07225%0.247CC..  trans-70.4106.1179.1-58.9179.6000109.4Y261 T267 I271 I304 L305Y261-I269 HydrophobicContact CD1-CG2 4.04Å; Y261-I269 HydrophobicContact CE1-CG2 3.74Å; T267-I269 PolarHBondContact O-N 2.05Å; T267-I269 VanDerWaalsContact O-N 3.14Å; I269-I271 HydrophobicContact CG2-CD1 4.24Å; I269-I271 HydrophobicContact CG2-CG1 4.44Å; I269-I304 HydrophobicContact CD1-CG2 3.83Å; I269-I304 HydrophobicContact CG2-CD1 4.32Å; I269-I304 HydrophobicContact CG2-CG2 4.45Å; I269-L305 HydrophobicContact CD1-CD2 3.63Å; I269-L305 HydrophobicContact CD1-CG 4.24Å
270T95.5Very high93.9Very high36 Ų3644.9 Ų44.922%0.22125%0.254CS..  trans-115.7127.5170-53.40000109.3Y261 S262 N268 T295Y261-T270 WeakPolarHBondContact CA-O 3.38Å; S262-T270 PolarHBondContact N-O 3.48Å; S262-T270 PolarHBondContact OG-O 3.31Å; N268-T270 PolarHBondContact O-N 3.38Å; N268-T270 VanDerWaalsContact O-N 3.08Å; T270-T295 HydrophobicContact CG2-CG2 4.46Å
271I97.8Very high93.5Very high5 Ų547.2 Ų47.23%0.02628%0.278CS..EExtended strand (participates in β ladder)trans-105.4133.3176.7-60.7-55000108Y249 P259 N260 Y261 I269 F294 T295 L300 I304Y249-I271 HydrophobicContact CE2-CG2 3.58Å; P259-I271 HydrophobicContact CB-CG2 3.87Å; N260-I271 WeakPolarHBondContact O-CA 3.32Å; Y261-I271 HydrophobicContact CD1-CD1 3.71Å; Y261-I271 HydrophobicContact CD2-CD1 4.45Å; Y261-I271 HydrophobicContact CE1-CD1 3.85Å; Y261-I271 HydrophobicContact CG-CD1 4.03Å; I269-I271 HydrophobicContact CG2-CD1 4.24Å; I269-I271 HydrophobicContact CG2-CG1 4.44Å; I271-F294 HydrophobicContact CG2-CB 4.41Å; I271-F294 CarbonylContact O-C 3.57Å; I271-F294 VanDerWaalsContact O-O 3.13Å; I271-T295 WeakPolarHBondContact O-CA 2.96Å; I271-T295 VanDerWaalsContact O-CG2 3.29Å; I271-T295 WeakPolarHBondContact O-CG2 3.39Å; I271-T295 PolarHBondContact O-N 3.07Å; I271-L300 HydrophobicContact CB-CD2 4.23Å; I271-L300 HydrophobicContact CG1-CD2 4.15Å; I271-L300 HydrophobicContact CG2-CD2 4.15Å; I271-I304 HydrophobicContact CD1-CD1 4.08Å; I271-I304 HydrophobicContact CG1-CD1 3.99Å
272S96.7Very high93Very high18 Ų1856.5 Ų56.513%0.12632%0.322CS..EExtended strand (participates in β ladder)trans-140158.917959.20000112.2H195 N260 S262H195-S272 PolarHBondContact CE1-O 3.33Å; H195-S272 VanDerWaalsContact CE1-O 3.27Å; N260-S272 PolarHBondContact N-O 3.18Å; N260-S272 VanDerWaalsContact N-O 3.12Å; N260-S272 PolarHBondContact O-N 3.41Å; S262-S272 VanDerWaalsContact OG-CB 3.22Å; S262-S272 WeakPolarHBondContact OG-CB 3.29Å; S262-S272 PolarHBondContact OG-OG 3.08Å
273L97.4Very high92.7Very high2 Ų258.6 Ų58.61%0.0133%0.326CS..  trans-88.5158.2164.5-61.5-178.5000110.3L206 V257 P259 C275 F290 F294L206-L273 HydrophobicContact CD2-CB 4.24Å; L206-L273 HydrophobicContact CD2-CD1 4.35Å; V257-L273 HydrophobicContact CB-CD1 4.49Å; V257-L273 HydrophobicContact CB-CD2 4.26Å; V257-L273 VanDerWaalsContact O-CD2 3.28Å; V257-L273 WeakPolarHBondContact O-CD2 3.1Å; P259-L273 HydrophobicContact CB-CD2 4Å; L273-C275 PolarHBondContact O-N 3.29Å; L273-F290 HydrophobicContact CD1-CE1 3.59Å; L273-F290 HydrophobicContact CD1-CZ 3.66Å; L273-F294 HydrophobicContact CD1-CD2 3.8Å; L273-F294 HydrophobicContact CD1-CE2 3.58Å; L273-F294 HydrophobicContact CD1-CG 4.46Å; L273-F294 HydrophobicContact CD1-CZ 4.05Å; L273-F294 HydrophobicContact CD2-CD1 4.15Å; L273-F294 HydrophobicContact CD2-CD2 4.45Å; L273-F294 HydrophobicContact CD2-CE1 4.01Å; L273-F294 HydrophobicContact CD2-CE2 4.34Å; L273-F294 HydrophobicContact CD2-CG 4.36Å; L273-F294 HydrophobicContact CD2-CZ 4.11Å; L273-F294 HydrophobicContact CG-CD1 4.33Å; L273-F294 HydrophobicContact CG-CD2 3.86Å; L273-F294 HydrophobicContact CG-CE1 4.44Å; L273-F294 HydrophobicContact CG-CE2 4.01Å; L273-F294 HydrophobicContact CG-CG 4.04Å; L273-F294 HydrophobicContact CG-CZ 4.3Å
274W96.7Very high92.6Very high66 Ų6659.8 Ų59.825%0.2533%0.329CS..SBendtrans-81.468.1172.8-170.7-104.7000111.2H195 Q196 E197 H199H195-W274 PolarHBondContact CE1-N 3.06Å; H195-W274 VanDerWaalsContact O-CB 3.29Å; H195-W274 WeakPolarHBondContact O-CB 3.32Å; Q196-W274 HydrophobicContact CB-CD2 4.31Å; Q196-W274 HydrophobicContact CB-CE3 4.34Å; Q196-W274 HydrophobicContact CB-CH2 4.41Å; Q196-W274 HydrophobicContact CB-CZ2 4.39Å; Q196-W274 HydrophobicContact CB-CZ3 4.4Å; Q196-W274 HydrophobicContact CG-CD2 4.35Å; Q196-W274 HydrophobicContact CG-CE3 3.91Å; Q196-W274 HydrophobicContact CG-CH2 4.3Å; Q196-W274 HydrophobicContact CG-CZ3 3.88Å; E197-W274 VanDerWaalsContact O-CZ2 3.27Å; E197-W274 WeakPolarHBondContact O-CZ2 3.31Å; E197-W274 PolarHBondContact O-NE1 2.93Å; H199-W274 PolarHBondContact O-NE1 3.08Å
275C96.9Very high92.5Very high1 Ų164.8 Ų64.81%0.00735%0.35CS..  trans-147.6173-179.265.80000112.8K200 P201 C203 L206 L273K200-C275 WeakPolarHBondContact CE-O 3.46Å; K200-C275 PolarHBondContact NZ-O 3.32Å; P201-C275 CarbonylContact O-C 3.58Å; P201-C275 VanDerWaalsContact O-CA 3.27Å; P201-C275 WeakPolarHBondContact O-CA 3.35Å; P201-C275 WeakPolarHBondContact O-CB 3.38Å; C203-C275 WeakPolarHBondContact CA-SG 3.13Å; C203-C275 HydrophobicContact CB-CB 3.78Å; C203-C275 WeakPolarHBondContact CB-SG 3.42Å; C203-C275 WeakPolarHBondContact SG-CB 3.44Å; C203-C275 CovalentContact SG-SG 2.03Å; C203-C275 PolarHBondContact SG-SG 3.1Å; L206-C275 HydrophobicContact CD2-CB 4.18Å; L273-C275 PolarHBondContact O-N 3.29Å
276T95.9Very high92.5Very high35 Ų3567.3 Ų67.322%0.21536%0.362CS..BIsolated β-bridgetrans-133151.5175.8-179.70000111.4P201 T202 C203 R278P201-T276 PolarHBondContact O-N 3.26Å; T202-T276 CarbonylContact C-O 3.47Å; T202-T276 WeakPolarHBondContact CA-O 3.34Å; C203-T276 PolarHBondContact N-O 3.48Å; C203-T276 VanDerWaalsContact N-O 3.09Å; T276-R278 PolarHBondContact OG1-N 2.87Å; T276-R278 VanDerWaalsContact OG1-N 3.13Å
277C96.2Very high92.7Very high10 Ų1066 Ų667%0.06835%0.353CS..  trans-107.81.8169.4-64.50000113C203 G279 T280 C287 D288C203-C277 VanDerWaalsContact SG-SG 3.64Å; C277-G279 PolarHBondContact O-N 2.68Å; C277-T280 PolarHBondContact O-OG1 3.06Å; C277-C287 WeakPolarHBondContact CA-SG 3.19Å; C277-C287 HydrophobicContact CB-CB 3.68Å; C277-C287 WeakPolarHBondContact CB-SG 3.48Å; C277-C287 WeakPolarHBondContact SG-CB 3.05Å; C277-C287 PolarHBondContact SG-O 3.39Å; C277-C287 CovalentContact SG-SG 2.04Å; C277-C287 PolarHBondContact SG-SG 3.34Å; C277-D288 VanDerWaalsContact CB-OD1 3.3Å; C277-D288 WeakPolarHBondContact CB-OD1 3.29Å
278R91.4Very high93.2Very high219 Ų21964 Ų6483%0.82634%0.339SS*.THydrogen-bonded Turntrans-64130.8173.7-64.3-177-179.8179.6-0.4110.6T276T276-R278 PolarHBondContact OG1-N 2.87Å; T276-R278 VanDerWaalsContact OG1-N 3.13Å
279G84.2Confident93.4Very high80 Ų8061.8 Ų61.883%0.82533%0.332SS*.THydrogen-bonded Turntrans81.315.6171.900000115.1C277 G281C277-G279 PolarHBondContact O-N 2.68Å; G279-G281 VanDerWaalsContact C-N 3.32Å
280T83.4Confident93.7Very high23 Ų2361.1 Ų61.114%0.14133%0.329CS..  trans-82.4-6.3176.648.90000114T202 C277 H282 Q283 E284 C287T202-T280 HydrophobicContact CG2-CG2 3.85Å; C277-T280 PolarHBondContact O-OG1 3.06Å; T280-H282 PolarHBondContact O-N 2.9Å; T280-Q283 PolarHBondContact O-N 3.45Å; T280-E284 WeakPolarHBondContact OG1-CA 3.46Å; T280-E284 WeakPolarHBondContact OG1-CB 3.22Å; T280-E284 PolarHBondContact OG1-N 3.15Å; T280-C287 HydrophobicContact CG2-CB 4.35Å
281G88.6Confident93.7Very high50 Ų5061.1 Ų61.152%0.51533%0.326SS..G310 helixtrans58.2-122.6177.300000111.9G279 Q283 E284G279-G281 VanDerWaalsContact C-N 3.32Å; G281-Q283 PolarHBondContact O-N 3.12Å; G281-E284 WeakPolarHBondContact O-CB 2.97Å; G281-E284 PolarHBondContact O-N 3.43Å; G281-E284 VanDerWaalsContact O-N 3.1Å
282H87.8Confident93.7Very high202 Ų20267.7 Ų67.794%0.93535%0.351SS*.G310 helixtrans-61.6-16.4-178.5-63.2-68.3000114.9T280T280-H282 PolarHBondContact O-N 2.9Å
283Q90.5Very high93.7Very high98 Ų9868 Ų6846%0.45835%0.351SS..G310 helixtrans-99.210.7178.5-56.9-171.8-50.200113.6L204 T280 G281 D286 C287L204-Q283 HydrophobicContact CD1-CB 3.53Å; L204-Q283 HydrophobicContact CD1-CG 4.38Å; T280-Q283 PolarHBondContact O-N 3.45Å; G281-Q283 PolarHBondContact O-N 3.12Å; Q283-D286 PolarHBondContact O-N 3.37Å; Q283-C287 VanDerWaalsContact O-CB 3.32Å; Q283-C287 WeakPolarHBondContact O-CB 3.42Å; Q283-C287 PolarHBondContact O-N 2.92Å
284E93.6Very high93.8Very high92 Ų9268.1 Ų68.143%0.4335%0.352SS..Hα-helixtrans-61.7-42.4-179.3-171.6166.2-176.100112.7T280 G281 D286 C287 D288T280-E284 WeakPolarHBondContact OG1-CA 3.46Å; T280-E284 WeakPolarHBondContact OG1-CB 3.22Å; T280-E284 PolarHBondContact OG1-N 3.15Å; G281-E284 WeakPolarHBondContact O-CB 2.97Å; G281-E284 PolarHBondContact O-N 3.43Å; G281-E284 VanDerWaalsContact O-N 3.1Å; E284-D286 PolarHBondContact O-N 3.06Å; E284-C287 PolarHBondContact O-N 2.92Å; E284-D288 WeakPolarHBondContact O-CB 3.32Å; E284-D288 PolarHBondContact O-N 3.5Å
285Q93.9Very high93.8Very high164 Ų16466.3 Ų66.377%0.76635%0.348SS*.Hα-helixtrans-60.5-46.3177.3-175.7177.1-2.600112.3D288 A289Q285-D288 PolarHBondContact O-N 2.96Å; Q285-A289 WeakPolarHBondContact O-CB 3.43Å; Q285-A289 PolarHBondContact O-N 3.42Å
286D94.3Very high93.7Very high77 Ų7771.6 Ų71.641%0.41237%0.372SS..Hα-helixtrans-65.7-39.3177.4-78.4-5.6000111.9F65 L204 Q283 E284 F290F65-D286 HydrophobicContact CE2-CB 3.87Å; F65-D286 VanDerWaalsContact CZ-O 3.32Å; F65-D286 WeakPolarHBondContact CZ-O 3.34Å; L204-D286 HydrophobicContact CD1-CB 4.43Å; L204-D286 HydrophobicContact CD2-CB 4.43Å; Q283-D286 PolarHBondContact O-N 3.37Å; E284-D286 PolarHBondContact O-N 3.06Å; D286-F290 PolarHBondContact O-N 2.98Å; D286-F290 VanDerWaalsContact O-N 3.14Å
287C96.7Very high93.7Very high0 Ų070.4 Ų70.40%037%0.365CS..Hα-helixtrans-63.5-47.7175.8-171.40000111C203 L204 C277 T280 Q283 E284 F290 H291C203-C287 VanDerWaalsContact CB-SG 3.59Å; L204-C287 HydrophobicContact CD1-CB 3.97Å; L204-C287 HydrophobicContact CG-CB 3.87Å; C277-C287 WeakPolarHBondContact CA-SG 3.19Å; C277-C287 HydrophobicContact CB-CB 3.68Å; C277-C287 WeakPolarHBondContact CB-SG 3.48Å; C277-C287 WeakPolarHBondContact SG-CB 3.05Å; C277-C287 PolarHBondContact SG-O 3.39Å; C277-C287 CovalentContact SG-SG 2.04Å; C277-C287 PolarHBondContact SG-SG 3.34Å; T280-C287 HydrophobicContact CG2-CB 4.35Å; Q283-C287 VanDerWaalsContact O-CB 3.32Å; Q283-C287 WeakPolarHBondContact O-CB 3.42Å; Q283-C287 PolarHBondContact O-N 2.92Å; E284-C287 PolarHBondContact O-N 2.92Å; C287-F290 PolarHBondContact O-N 2.98Å; C287-H291 WeakPolarHBondContact O-CB 3.47Å; C287-H291 PolarHBondContact O-N 2.03Å
288D96.7Very high93.7Very high67 Ų6773 Ų7336%0.35838%0.38SS..Hα-helixtrans-65.7-41.5179.9-81.7-21.6000111.5C277 E284 Q285 F290 H291 R292C277-D288 VanDerWaalsContact CB-OD1 3.3Å; C277-D288 WeakPolarHBondContact CB-OD1 3.29Å; E284-D288 WeakPolarHBondContact O-CB 3.32Å; E284-D288 PolarHBondContact O-N 3.5Å; Q285-D288 PolarHBondContact O-N 2.96Å; D288-F290 PolarHBondContact O-N 2.75Å; D288-H291 PolarHBondContact O-N 2.78Å; D288-R292 VanDerWaalsContact O-CB 3.27Å; D288-R292 WeakPolarHBondContact O-CB 3.5Å; D288-R292 WeakPolarHBondContact O-CG 3.19Å; D288-R292 PolarHBondContact O-N 3.2Å
289A95.9Very high93.9Very high38 Ų3862.6 Ų62.631%0.31434%0.341SS..Hα-helixtrans-55.2-52.5174.300000110.8F65 Q285 H291 R292 D293F65-A289 HydrophobicContact CZ-CB 4.28Å; Q285-A289 WeakPolarHBondContact O-CB 3.43Å; Q285-A289 PolarHBondContact O-N 3.42Å; A289-H291 VanDerWaalsContact C-N 3.34Å; A289-H291 PolarHBondContact O-N 2.93Å; A289-R292 PolarHBondContact O-N 3.26Å; A289-R292 VanDerWaalsContact O-N 3.17Å; A289-D293 PolarHBondContact O-N 2.92Å
290F97.1Very high94.5Very high0 Ų058.8 Ų58.80%030%0.302CS..Hα-helixtrans-60.1-40.6177.2174.7-115.2000112.9F65 C203 R207 L220 H224 V257 L273 D286 C287 D288 R292 D293 F294F65-F290 HydrophobicContact CE1-CB 4.35Å; F65-F290 HydrophobicContact CZ-CB 3.9Å; C203-F290 HydrophobicContact CB-CD1 3.77Å; C203-F290 HydrophobicContact CB-CE1 4.12Å; C203-F290 WeakPolarHBondContact O-CE1 3.38Å; R207-F290 HydrophobicContact CB-CD1 4.35Å; R207-F290 HydrophobicContact CB-CE1 3.9Å; R207-F290 HydrophobicContact CB-CE2 4.4Å; R207-F290 HydrophobicContact CB-CZ 3.93Å; R207-F290 HydrophobicContact CG-CE2 4.31Å; R207-F290 HydrophobicContact CG-CZ 4.31Å; L220-F290 HydrophobicContact CD1-CE2 4.1Å; L220-F290 HydrophobicContact CD2-CE2 4.09Å; L220-F290 HydrophobicContact CD2-CZ 4.38Å; H224-F290 AromaticContact CE1-CE2 3.98Å; H224-F290 AromaticContact NE2-CD2 3.94Å; H224-F290 AromaticContact NE2-CE2 3.82Å; V257-F290 HydrophobicContact CG1-CZ 4.31Å; L273-F290 HydrophobicContact CD1-CE1 3.59Å; L273-F290 HydrophobicContact CD1-CZ 3.66Å; D286-F290 PolarHBondContact O-N 2.98Å; D286-F290 VanDerWaalsContact O-N 3.14Å; C287-F290 PolarHBondContact O-N 2.98Å; D288-F290 PolarHBondContact O-N 2.75Å; F290-R292 VanDerWaalsContact C-N 3.34Å; F290-D293 WeakPolarHBondContact O-CB 3.4Å; F290-D293 PolarHBondContact O-N 3Å; F290-F294 HydrophobicContact CE2-CE2 4.01Å; F290-F294 HydrophobicContact CZ-CE2 4.15Å; F290-F294 WeakPolarHBondContact O-CD2 3.27Å
291H97.1Very high95Very high36 Ų3661.9 Ų61.917%0.16731%0.313CS..Hα-helixtrans-73-28.2179.5-170.1-136.2000112.7C287 D288 A289 D293 F294 T295C287-H291 WeakPolarHBondContact O-CB 3.47Å; C287-H291 PolarHBondContact O-N 2.03Å; D288-H291 PolarHBondContact O-N 2.78Å; A289-H291 VanDerWaalsContact C-N 3.34Å; A289-H291 PolarHBondContact O-N 2.93Å; H291-D293 VanDerWaalsContact C-N 3.33Å; H291-F294 PolarHBondContact O-N 2.94Å; H291-T295 PolarHBondContact O-N 3.07Å; H291-T295 VanDerWaalsContact O-N 3.09Å; H291-T295 PolarHBondContact O-OG1 3.37Å
292R96.8Very high95.2Very high143 Ų14361.6 Ų61.654%0.5430%0.3SS..Hα-helixtrans-72.8-23.8176.6-74.9178.177.71554.5113.2D288 A289 F290 F294 T295 H296D288-R292 VanDerWaalsContact O-CB 3.27Å; D288-R292 WeakPolarHBondContact O-CB 3.5Å; D288-R292 WeakPolarHBondContact O-CG 3.19Å; D288-R292 PolarHBondContact O-N 3.2Å; A289-R292 PolarHBondContact O-N 3.26Å; A289-R292 VanDerWaalsContact O-N 3.17Å; F290-R292 VanDerWaalsContact C-N 3.34Å; R292-F294 PolarHBondContact O-N 3.32Å; R292-T295 WeakPolarHBondContact CA-OG1 3.46Å; R292-T295 PolarHBondContact O-N 3.27Å; R292-H296 HydrophobicContact CB-CB 4.3Å; R292-H296 HydrophobicContact CG-CB 4.43Å; R292-H296 CarbonylContact O-C 3.17Å; R292-H296 WeakPolarHBondContact O-CA 3.19Å; R292-H296 PolarHBondContact O-N 3.14Å
293D97.3Very high95.4Very high26 Ų2652 Ų5214%0.13926%0.256CS..Hα-helixtrans-58.4-19.9170.5-64.5-33.1000113.1Y66 F223 H224 A289 F290 H291 N297Y66-D293 WeakPolarHBondContact CE1-OD2 3.41Å; Y66-D293 VanDerWaalsContact OH-CG 3.25Å; Y66-D293 PolarHBondContact OH-OD1 3.45Å; Y66-D293 VanDerWaalsContact OH-OD1 3.09Å; Y66-D293 PolarHBondContact OH-OD2 2.97Å; F223-D293 HydrophobicContact CE1-CB 4.35Å; F223-D293 WeakPolarHBondContact CZ-O 3Å; H224-D293 IonicContact CD2-OD2 3.81Å; H224-D293 IonicContact NE2-OD2 3.49Å; A289-D293 PolarHBondContact O-N 2.92Å; F290-D293 WeakPolarHBondContact O-CB 3.4Å; F290-D293 PolarHBondContact O-N 3Å; H291-D293 VanDerWaalsContact C-N 3.33Å; D293-N297 WeakPolarHBondContact O-CB 3.42Å; D293-N297 PolarHBondContact O-ND2 2.77Å
294F98Very high95.6Very high4 Ų447.5 Ų47.52%0.01823%0.234CC..Hα-helixtrans-104.6-49.2174.3-61.5-88.2000112.2L220 F223 L252 P259 I271 L273 F290 H291 R292L220-F294 HydrophobicContact CD1-CZ 4.14Å; F223-F294 AromaticContact CD1-CE1 3.93Å; F223-F294 HydrophobicContact CD1-CE1 3.93Å; F223-F294 AromaticContact CD1-CZ 3.79Å; F223-F294 HydrophobicContact CD1-CZ 3.79Å; F223-F294 AromaticContact CE1-CD1 3.93Å; F223-F294 HydrophobicContact CE1-CD1 3.93Å; F223-F294 HydrophobicContact CE1-CD2 4.48Å; F223-F294 AromaticContact CE1-CE1 3.45Å; F223-F294 HydrophobicContact CE1-CE1 3.45Å; F223-F294 VanDerWaalsContact CE1-CE1 3.45Å; F223-F294 HydrophobicContact CE1-CE2 4.05Å; F223-F294 HydrophobicContact CE1-CG 4.42Å; F223-F294 AromaticContact CE1-CZ 3.52Å; F223-F294 HydrophobicContact CE1-CZ 3.52Å; F223-F294 HydrophobicContact CE2-CE1 4.26Å; F223-F294 AromaticContact CZ-CD1 3.79Å; F223-F294 HydrophobicContact CZ-CD1 3.79Å; F223-F294 AromaticContact CZ-CE1 3.64Å; F223-F294 HydrophobicContact CZ-CE1 3.64Å; F223-F294 HydrophobicContact CZ-CG 4.47Å; F223-F294 HydrophobicContact CZ-CZ 4.19Å; L252-F294 HydrophobicContact CD1-CE1 3.63Å; L252-F294 HydrophobicContact CD1-CZ 4.04Å; P259-F294 HydrophobicContact CB-CD1 4.03Å; P259-F294 HydrophobicContact CB-CE1 4.26Å; I271-F294 HydrophobicContact CG2-CB 4.41Å; I271-F294 CarbonylContact O-C 3.57Å; I271-F294 VanDerWaalsContact O-O 3.13Å; L273-F294 HydrophobicContact CD1-CD2 3.8Å; L273-F294 HydrophobicContact CD1-CE2 3.58Å; L273-F294 HydrophobicContact CD1-CG 4.46Å; L273-F294 HydrophobicContact CD1-CZ 4.05Å; L273-F294 HydrophobicContact CD2-CD1 4.15Å; L273-F294 HydrophobicContact CD2-CD2 4.45Å; L273-F294 HydrophobicContact CD2-CE1 4.01Å; L273-F294 HydrophobicContact CD2-CE2 4.34Å; L273-F294 HydrophobicContact CD2-CG 4.36Å; L273-F294 HydrophobicContact CD2-CZ 4.11Å; L273-F294 HydrophobicContact CG-CD1 4.33Å; L273-F294 HydrophobicContact CG-CD2 3.86Å; L273-F294 HydrophobicContact CG-CE1 4.44Å; L273-F294 HydrophobicContact CG-CE2 4.01Å; L273-F294 HydrophobicContact CG-CG 4.04Å; L273-F294 HydrophobicContact CG-CZ 4.3Å; F290-F294 HydrophobicContact CE2-CE2 4.01Å; F290-F294 HydrophobicContact CZ-CE2 4.15Å; F290-F294 WeakPolarHBondContact O-CD2 3.27Å; H291-F294 PolarHBondContact O-N 2.94Å; R292-F294 PolarHBondContact O-N 3.32Å
295T97.2Very high95.5Very high28 Ų2845.2 Ų45.217%0.17223%0.225CC..Hα-helixtrans-78.6-31-170.4530000114.2T270 I271 H291 R292T270-T295 HydrophobicContact CG2-CG2 4.46Å; I271-T295 WeakPolarHBondContact O-CA 2.96Å; I271-T295 VanDerWaalsContact O-CG2 3.29Å; I271-T295 WeakPolarHBondContact O-CG2 3.39Å; I271-T295 PolarHBondContact O-N 3.07Å; H291-T295 PolarHBondContact O-N 3.07Å; H291-T295 VanDerWaalsContact O-N 3.09Å; H291-T295 PolarHBondContact O-OG1 3.37Å; R292-T295 WeakPolarHBondContact CA-OG1 3.46Å; R292-T295 PolarHBondContact O-N 3.27Å
296H95.8Very high95.2Very high111 Ų11140 Ų4051%0.51421%0.207SC..THydrogen-bonded Turntrans-124.736.4-173.8-66.377.6000111.3M229 R292M229-H296 VanDerWaalsContact CE-O 3.28Å; M229-H296 WeakPolarHBondContact CE-O 3.37Å; R292-H296 HydrophobicContact CB-CB 4.3Å; R292-H296 HydrophobicContact CG-CB 4.43Å; R292-H296 CarbonylContact O-C 3.17Å; R292-H296 WeakPolarHBondContact O-CA 3.19Å; R292-H296 PolarHBondContact O-N 3.14Å
297N96.3Very high94.9Very high11 Ų1138.7 Ų38.76%0.05920%0.197CC..  trans-97.7102-178.3-170.7-34000111.2C227 D293 C299 L300 K301C227-N297 PolarHBondContact O-ND2 2.82Å; C227-N297 PolarHBondContact O-OD1 2.96Å; D293-N297 WeakPolarHBondContact O-CB 3.42Å; D293-N297 PolarHBondContact O-ND2 2.77Å; N297-C299 VanDerWaalsContact C-N 3.34Å; N297-C299 PolarHBondContact O-N 3Å; N297-C299 VanDerWaalsContact OD1-CB 3.31Å; N297-C299 WeakPolarHBondContact OD1-CB 3.41Å; N297-C299 PolarHBondContact OD1-N 3.35Å; N297-L300 HydrophobicContact CB-CB 3.98Å; N297-L300 PolarHBondContact O-N 2.85Å; N297-L300 PolarHBondContact OD1-N 2.97Å; N297-K301 WeakPolarHBondContact O-CB 3.16Å; N297-K301 PolarHBondContact O-N 2.01Å
298T94.8Very high94Very high64 Ų6439.3 Ų39.339%0.39320%0.204SC..Hα-helixtrans-65.2-36.1180-55.90000112.2M229 K301 N302M229-T298 PolarHBondContact SD-N 2.94Å; T298-K301 PolarHBondContact O-N 3.22Å; T298-N302 VanDerWaalsContact O-CB 3.28Å; T298-N302 WeakPolarHBondContact O-CB 3.15Å; T298-N302 PolarHBondContact O-N 3.11Å; T298-N302 PolarHBondContact O-ND2 3.37Å
299C95.8Very high92.7Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-58.6-53.5174.1166.60000110.8S236 C237 N297 K301 N302 A303S236-C299 WeakPolarHBondContact O-CB 3.46Å; C237-C299 WeakPolarHBondContact CA-SG 3.48Å; C237-C299 HydrophobicContact CB-CB 4.01Å; C237-C299 WeakPolarHBondContact CB-SG 3.35Å; C237-C299 WeakPolarHBondContact SG-CA 3.36Å; C237-C299 WeakPolarHBondContact SG-CB 3.47Å; C237-C299 CovalentContact SG-SG 2.03Å; C237-C299 PolarHBondContact SG-SG 3.02Å; N297-C299 VanDerWaalsContact C-N 3.34Å; N297-C299 PolarHBondContact O-N 3Å; N297-C299 VanDerWaalsContact OD1-CB 3.31Å; N297-C299 WeakPolarHBondContact OD1-CB 3.41Å; N297-C299 PolarHBondContact OD1-N 3.35Å; C299-K301 VanDerWaalsContact C-N 3.35Å; C299-K301 PolarHBondContact O-N 3.25Å; C299-N302 PolarHBondContact O-N 3.28Å; C299-A303 WeakPolarHBondContact O-CB 3.33Å; C299-A303 PolarHBondContact O-N 3.05Å
300L96.3Very high90.9Very high1 Ų141.5 Ų41.51%0.00521%0.213CC..Hα-helixtrans-61.7-43.6-179.918061.1000111.5F223 Y249 I271 N297 A303 I304F223-L300 HydrophobicContact CE2-CD2 4.17Å; F223-L300 HydrophobicContact CZ-CD2 4.26Å; Y249-L300 HydrophobicContact CD2-CD1 3.91Å; Y249-L300 HydrophobicContact CD2-CD2 3.94Å; Y249-L300 HydrophobicContact CE2-CD2 4.3Å; Y249-L300 HydrophobicContact CG-CD1 4.11Å; I271-L300 HydrophobicContact CB-CD2 4.23Å; I271-L300 HydrophobicContact CG1-CD2 4.15Å; I271-L300 HydrophobicContact CG2-CD2 4.15Å; N297-L300 HydrophobicContact CB-CB 3.98Å; N297-L300 PolarHBondContact O-N 2.85Å; N297-L300 PolarHBondContact OD1-N 2.97Å; L300-A303 PolarHBondContact O-N 3.07Å; L300-I304 HydrophobicContact CD1-CD1 4.03Å; L300-I304 HydrophobicContact CD1-CG1 4.29Å; L300-I304 HydrophobicContact CG-CD1 4.04Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.1Å; L300-I304 PolarHBondContact O-N 2.74Å
301K94.8Very high88.2Confident88 Ų8846.2 Ų46.238%0.38325%0.246SC..Hα-helixtrans-58.8-49.9176.8-178.9178176.7178.20111.3N297 T298 C299 A303 I304 L305N297-K301 WeakPolarHBondContact O-CB 3.16Å; N297-K301 PolarHBondContact O-N 2.01Å; T298-K301 PolarHBondContact O-N 3.22Å; C299-K301 VanDerWaalsContact C-N 3.35Å; C299-K301 PolarHBondContact O-N 3.25Å; K301-A303 VanDerWaalsContact C-N 3.34Å; K301-A303 PolarHBondContact O-N 3.28Å; K301-I304 PolarHBondContact O-N 3.42Å; K301-L305 HydrophobicContact CG-CD1 4Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.29Å; K301-L305 PolarHBondContact O-N 3.12Å
302N92.5Very high85.5Confident44 Ų4452.6 Ų52.624%0.23528%0.276CS..Hα-helixtrans-65.1-38.4179.7-70.4-10.6000111.7T235 Y242 T298 C299 L305 S306T235-N302 PolarHBondContact O-ND2 3.07Å; Y242-N302 HydrophobicContact CE1-CB 3.64Å; T298-N302 VanDerWaalsContact O-CB 3.28Å; T298-N302 WeakPolarHBondContact O-CB 3.15Å; T298-N302 PolarHBondContact O-N 3.11Å; T298-N302 PolarHBondContact O-ND2 3.37Å; C299-N302 PolarHBondContact O-N 3.28Å; N302-L305 PolarHBondContact O-N 2.97Å; N302-S306 WeakPolarHBondContact O-CB 3.37Å; N302-S306 PolarHBondContact O-N 2.92Å
303A92.9Very high82.9Confident1 Ų148.1 Ų48.11%0.00828%0.275CS..Hα-helixtrans-61.9-45.3176.800000112Y242 L246 C299 L300 K301 F307Y242-A303 VanDerWaalsContact CD1-CA 3.45Å; Y242-A303 HydrophobicContact CD1-CB 3.56Å; Y242-A303 HydrophobicContact CE1-CB 4.39Å; Y242-A303 HydrophobicContact CG-CB 4.02Å; L246-A303 HydrophobicContact CD1-CB 4.44Å; L246-A303 HydrophobicContact CD2-CB 3.88Å; L246-A303 HydrophobicContact CG-CB 3.91Å; C299-A303 WeakPolarHBondContact O-CB 3.33Å; C299-A303 PolarHBondContact O-N 3.05Å; L300-A303 PolarHBondContact O-N 3.07Å; K301-A303 VanDerWaalsContact C-N 3.34Å; K301-A303 PolarHBondContact O-N 3.28Å; A303-F307 WeakPolarHBondContact O-CB 3.42Å; A303-F307 PolarHBondContact O-N 3.05Å
304I93.9Very high79.8Confident2 Ų250.7 Ų50.71%0.0130%0.299CS..Hα-helixtrans-64.9-44177.7-66169000110.7F173 L246 I269 I271 L300 K301 F307 G308F173-I304 HydrophobicContact CD1-CD1 4.41Å; F173-I304 HydrophobicContact CD1-CG1 3.86Å; F173-I304 HydrophobicContact CD1-CG2 4.23Å; F173-I304 HydrophobicContact CE1-CD1 4.4Å; F173-I304 HydrophobicContact CE1-CG1 4.05Å; L246-I304 HydrophobicContact CD2-CG1 3.8Å; I269-I304 HydrophobicContact CD1-CG2 3.83Å; I269-I304 HydrophobicContact CG2-CD1 4.32Å; I269-I304 HydrophobicContact CG2-CG2 4.45Å; I271-I304 HydrophobicContact CD1-CD1 4.08Å; I271-I304 HydrophobicContact CG1-CD1 3.99Å; L300-I304 HydrophobicContact CD1-CD1 4.03Å; L300-I304 HydrophobicContact CD1-CG1 4.29Å; L300-I304 HydrophobicContact CG-CD1 4.04Å; L300-I304 VanDerWaalsContact O-CG1 3.31Å; L300-I304 WeakPolarHBondContact O-CG1 3.1Å; L300-I304 PolarHBondContact O-N 2.74Å; K301-I304 PolarHBondContact O-N 3.42Å; I304-F307 PolarHBondContact O-N 2.82Å; I304-G308 PolarHBondContact O-N 3.13Å
305L91.1Very high76.5Confident44 Ų4455 Ų5523%0.2334%0.336CS..Hα-helixtrans-63.2-48.3178.1-68.6169.6000111.1I269 K301 N302 F307 G308 Y309I269-L305 HydrophobicContact CD1-CD2 3.63Å; I269-L305 HydrophobicContact CD1-CG 4.24Å; K301-L305 HydrophobicContact CG-CD1 4Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.29Å; K301-L305 PolarHBondContact O-N 3.12Å; N302-L305 PolarHBondContact O-N 2.97Å; L305-F307 VanDerWaalsContact C-N 3.3Å; L305-F307 PolarHBondContact O-N 3.42Å; L305-G308 PolarHBondContact O-N 2.7Å; L305-G308 VanDerWaalsContact O-N 3.09Å; L305-Y309 HydrophobicContact CB-CD2 4.42Å; L305-Y309 HydrophobicContact CB-CE2 4.38Å; L305-Y309 HydrophobicContact CD2-CE2 3.92Å; L305-Y309 WeakPolarHBondContact O-CD2 3.49Å; L305-Y309 PolarHBondContact O-N 2.86Å
306S88.4Confident73.5Confident55 Ų5558 Ų5839%0.38536%0.355SS..Hα-helixtrans-57.3-42.4177.9-1770000112N302 G310N302-S306 WeakPolarHBondContact O-CB 3.37Å; N302-S306 PolarHBondContact O-N 2.92Å; S306-G310 PolarHBondContact O-N 2.78Å
307F88.1Confident70.4Confident49 Ų4958.5 Ų58.522%0.21537%0.368CS..Hα-helixtrans-63.5-44.1174.5-171.4-83.1000112.4W165 Y169 P170 F173 L246 A303 I304 L305W165-F307 HydrophobicContact CZ3-CE2 4.36Å; Y169-F307 HydrophobicContact CD2-CE2 4.09Å; Y169-F307 HydrophobicContact CG-CE2 4.46Å; Y169-F307 HydrophobicContact CG-CZ 4.48Å; P170-F307 HydrophobicContact CG-CE1 4.11Å; P170-F307 HydrophobicContact CG-CZ 3.97Å; F173-F307 HydrophobicContact CB-CB 4.45Å; F173-F307 HydrophobicContact CB-CD1 3.52Å; F173-F307 HydrophobicContact CB-CE1 4.08Å; F173-F307 HydrophobicContact CB-CG 4.14Å; F173-F307 HydrophobicContact CD2-CD1 4.4Å; F173-F307 HydrophobicContact CG-CD1 4.44Å; L246-F307 HydrophobicContact CD1-CB 3.88Å; L246-F307 HydrophobicContact CD1-CD2 3.92Å; L246-F307 HydrophobicContact CD1-CG 4.17Å; A303-F307 WeakPolarHBondContact O-CB 3.42Å; A303-F307 PolarHBondContact O-N 3.05Å; I304-F307 PolarHBondContact O-N 2.82Å; L305-F307 VanDerWaalsContact C-N 3.3Å; L305-F307 PolarHBondContact O-N 3.42Å
308G78Confident67.2Low13 Ų1364 Ų6413%0.13440%0.402CS..Hα-helixtrans-70.7-29.3-174.400000114.9S175 I304 L305S175-G308 VanDerWaalsContact CB-O 3.25Å; S175-G308 WeakPolarHBondContact CB-O 3.3Å; S175-G308 PolarHBondContact OG-O 3.32Å; I304-G308 PolarHBondContact O-N 3.13Å; L305-G308 PolarHBondContact O-N 2.7Å; L305-G308 VanDerWaalsContact O-N 3.09Å
309Y67.5Low64.3Low109 Ų10966.9 Ų66.943%0.42742%0.42SS..Hα-helixtrans-91.7-12.7179.7-68.9-66.3000113.8L305L305-Y309 HydrophobicContact CB-CD2 4.42Å; L305-Y309 HydrophobicContact CB-CE2 4.38Å; L305-Y309 HydrophobicContact CD2-CE2 3.92Å; L305-Y309 WeakPolarHBondContact O-CD2 3.49Å; L305-Y309 PolarHBondContact O-N 2.86Å
310G58.1Low61.2Low43 Ų4375.7 Ų75.744%0.44346%0.461SS..THydrogen-bonded Turntrans64.5175.7-168.800000111.4S306 E312S306-G310 PolarHBondContact O-N 2.78Å; G310-E312 PolarHBondContact O-N 3.47Å
311S41.1Very low57.9Low98 Ų9884.4 Ų84.469%0.68550%0.502SS*.THydrogen-bonded Turntrans-63.14.3-174.4-171.80000115.7S84S84-S311 WeakPolarHBondContact O-CB 3.27Å; S84-S311 PolarHBondContact O-OG 3.15Å
312E40.8Very low54.8Low170 Ų17085.8 Ų85.879%0.79452%0.52SS*.SBendtrans-126.689.8176.5-67.6-166165.200110.3G310G310-E312 PolarHBondContact O-N 3.47Å
313G41.9Very low51.9Low50 Ų5089.3 Ų89.352%0.51555%0.548SS..SBendtrans144.157.7163.900000117.2
314A31.8Very low48.9Very low80 Ų8095.6 Ų95.666%0.66159%0.586SS**  trans-163.990.3150.100000109.4
315A29.5Very low45.8Very low94 Ų94105.1 Ų105.178%0.77763%0.628SS**  trans-62129.915000000106.4
316P34.3Very low42.9Very low90 Ų90111.1 Ų111.158%0.58466%0.66SS**  trans-58146.3169.325.3-31000108.2V318P316-V318 PolarHBondContact O-N 3.34Å
317P30.1Very low40.1Very low122 Ų122114 Ų11479%0.79268%0.677SS**  trans-60107.316924.9-30.3000107.2T319P317-T319 VanDerWaalsContact C-N 3.34Å; P317-T319 PolarHBondContact O-N 3.42Å
318V29.5Very low37.4Very low127 Ų127117.4 Ų117.477%0.7770%0.704SS**  trans-67.898.9172.9178.60000105.9P316 E320P316-V318 PolarHBondContact O-N 3.34Å; V318-E320 PolarHBondContact O-N 2.81Å
319T32.9Very low35Very low125 Ų125124 Ų12477%0.76774%0.736SS**PPolyproline II helixtrans-65.3117.5161.7-38.70000106.3P317 Q321P317-T319 VanDerWaalsContact C-N 3.34Å; P317-T319 PolarHBondContact O-N 3.42Å; T319-Q321 PolarHBondContact O-N 3.31Å; T319-Q321 VanDerWaalsContact O-N 3.12Å
320E30.5Very low33.2Very low185 Ų185127.6 Ų127.686%0.86476%0.756SS**PPolyproline II helixtrans-48.4116.9175.6-68.7178.6148.100110.3V318V318-E320 PolarHBondContact O-N 2.81Å
321Q28.5Very low31.9Very low184 Ų184131.1 Ų131.186%0.8677%0.771SS**PPolyproline II helixtrans-88.3134.7164.4-92.4-173.8-40.600109.2T319T319-Q321 PolarHBondContact O-N 3.31Å; T319-Q321 VanDerWaalsContact O-N 3.12Å
322P29.1Very low31.3Very low116 Ų116134.2 Ų134.275%0.75378%0.778SS**PPolyproline II helixtrans-73131.5171.921.5-17.2000110.3
323S32Very low30.7Very low118 Ų118133.9 Ų133.983%0.82578%0.78SS**PPolyproline II helixtrans-50.3129.5178.9-54.60000113.3
324T28.8Very low29.9Very low134 Ų134136.7 Ų136.782%0.82279%0.792SS**  trans-129115.2164.54.80000111.3
325F30.1Very low29.7Very low201 Ų201142.6 Ų142.688%0.88280%0.803SS**  trans-12.2128162.9-64.9-93.3000118.8
326L29Very low29.8Very low171 Ų171143.4 Ų143.490%0.89580%0.801SS**  trans-81.9148.1160.4-70.7165.1000111.4
327P31.1Very low29.4Very low116 Ų116143.7 Ų143.775%0.75381%0.81SS**  trans-118.1164.7148.622.3-2.9000113.1
328P30.5Very low29.3Very low119 Ų119144 Ų14477%0.77381%0.813SS**  trans-98.4168.7-148.337.9-34.9000116.5
329D27.7Very low29.1Very low151 Ų151142.9 Ų142.981%0.80781%0.81SS**  trans-47.1142.2178.5-66.8-53.7000117.3
330H29.1Very low28.8Very low186 Ų186145.4 Ų145.486%0.86182%0.818SS**  trans-136.3136.5149.1-76.8-41.6000111.8
331P30.4Very low28.8Very low116 Ų116145.1 Ų145.175%0.75382%0.816SS**  trans-97140-172.736.2-30.9000112.6
332I29.9Very low28.8Very low163 Ų163139.8 Ų139.884%0.83681%0.811SS**  trans-135.496.5164.8-54.9-179000111
333I27.1Very low28.6Very low163 Ų163144 Ų14484%0.83682%0.817SS**  trans31.2115.6135.2-58.1171.5000118.1
334S26.2Very low28.5Very low109 Ų109143.4 Ų143.476%0.76282%0.819SS**  trans-93.7142.9171.1-11.50000112.3
335K26.5Very low28.5Very low204 Ų204144.9 Ų144.989%0.88782%0.821SS**  trans164.5161.8138.6-102.7-178.4174.8172.80111.9
336P31.9Very low28.5Very low112 Ų112144.1 Ų144.173%0.72782%0.817SS**  -129.8170.1-52.828.4-7.6000112.3
337A27.2Very low28.4Very low96 Ų96142.1 Ų142.179%0.79381%0.814SS**  trans-69.6163.8171.100000113.6
338P27.1Very low28.3Very low129 Ų129143 Ų14384%0.83882%0.817SS**  trans-114.5139.114521-3.2000112.5
339S25.5Very low28.3Very low102 Ų102145 Ų14571%0.71382%0.821SS**  trans-68.9153.1177.659.80000114
340L27.2Very low28.6Very low179 Ų179142.2 Ų142.294%0.93782%0.819SS**  trans-138.6131.6147.7-120.3128.1000112.1
341H29.7Very low28.6Very low178 Ų178138.4 Ų138.482%0.82482%0.82SS**  trans-56.7143.6-176.6-95.546.9000113.5
342G28.3Very low28.6Very low73 Ų73137.9 Ų137.975%0.75382%0.818SS**  trans-76.7165.8176.300000114.9
343K26.2Very low28.7Very low204 Ų204138.7 Ų138.789%0.88782%0.82SS**  trans-147.6131.5145.8-99-179.1-177179.70109
344A28.4Very low28.8Very low105 Ų105139.9 Ų139.987%0.86882%0.82SS**  trans-67.3136.9176.900000111.6
345I29.9Very low28.9Very low165 Ų165140 Ų14085%0.84682%0.821SS**  trans-131.2126.1163.4-56.9178.1000107.1
346K28.9Very low29.3Very low186 Ų186136.6 Ų136.681%0.80982%0.817SS**  trans-68.3159-178.2-72.4178.6177.4-179.60111.9
347P27.8Very low29.2Very low129 Ų129137.1 Ų137.184%0.83882%0.822SS**  trans-72.4132.3-179.930.5-32.6000110.4
348V28.8Very low29.4Very low134 Ų134136.5 Ų136.581%0.81282%0.817SS**  trans-103.9107.1171.4179.10000107.8
349D31.4Very low30Very low161 Ų161137.9 Ų137.986%0.86182%0.817SS**  trans-74.8127.3157.7-84.2-42.1000108.9
350A32.6Very low30.4Very low92 Ų92141.5 Ų141.576%0.7683%0.827SS**  trans151.894.2149.500000110.5
351A29.3Very low30.7Very low106 Ų106141.7 Ų141.788%0.87682%0.824SS**  trans-93.5105.2162.800000108.8
352C30Very low31.2Very low105 Ų105141.5 Ų141.571%0.70983%0.829SS**  trans-58.3130.7169.9-72.70000111F354C352-F354 PolarHBondContact O-N 2.78Å
353M32.7Very low31.5Very low180 Ų180141.2 Ų141.289%0.88783%0.826SS**  trans-65115.7165.7-84-83.2-52.100109.8
354F30.3Very low32.4Very low188 Ų188135.4 Ų135.483%0.82582%0.824SS**  trans-82.6120165-72-79000110.1C352C352-F354 PolarHBondContact O-N 2.78Å
355S27.7Very low32.8Very low113 Ų113139.4 Ų139.479%0.7983%0.825SS**  trans-82.4111.9165.2174.60000108.3C357S355-C357 PolarHBondContact O-N 3.33Å
356T33.5Very low33.1Very low132 Ų132141.4 Ų141.481%0.8183%0.827SS**  trans-81.1116.5176.5-25.10000109.9A358T356-A358 PolarHBondContact O-N 2.89Å
357C31.3Very low33.2Very low123 Ų123138.6 Ų138.683%0.83183%0.83SS**  trans-60.5120.1164.9-65.50000109.4S355S355-C357 PolarHBondContact O-N 3.33Å
358A30.3Very low33.6Very low82 Ų82140 Ų14068%0.67883%0.829SS**  trans-105.8138.1159.900000108.2T356T356-A358 PolarHBondContact O-N 2.89Å
359N41.3Very low33.7Very low159 Ų159139 Ų13985%0.8583%0.825SS**  trans93.1107.2179.6-53.5-64000115
360L32.1Very low34Very low177 Ų177136.5 Ų136.593%0.92782%0.82SS**  -154.2120.3122.8-94.6164.9000107.9
361Q34.8Very low34.2Very low183 Ų183140.3 Ų140.386%0.85582%0.822SS**  trans-76.2138.2160-82.8173.1-1.900108.3
362D40.6Very low34.6Very low174 Ų174142.7 Ų142.793%0.9382%0.82SS**SBendtrans41.9109.6148.3-14415.3000118.7
363G34.5Very low34.6Very low67 Ų67148.2 Ų148.269%0.69183%0.827SS**  trans148.9108.8171.800000112.1Q365G363-Q365 PolarHBondContact O-N 3Å
364G43.8Very low34.4Very low82 Ų82151.2 Ų151.285%0.84583%0.829SS**  trans-60.2121.7-168.100000115.8
365Q36.6Very low34.2Very low190 Ų190148.5 Ų148.589%0.88883%0.831SS**  trans-150.6125.1154.7-122.1141.76.500109.9G363G363-Q365 PolarHBondContact O-N 3Å
366K37.1Very low34.2Very low207 Ų207151.9 Ų151.990%0.984%0.835SS**PPolyproline II helixtrans-66.3128.4178.8-82.9174.8172.7176.40109.9
367C31.7Very low34.1Very low127 Ų127153.1 Ų153.186%0.85884%0.837SS**PPolyproline II helixtrans-62132.5168.5-61.70000110.3
368I35.8Very low33.9Very low159 Ų159154 Ų15482%0.81584%0.838SS**PPolyproline II helixtrans-85.3132.6172.1-59.9174.9000108
369P31.3Very low33.9Very low113 Ų113157.6 Ų157.673%0.73485%0.845SS**PPolyproline II helixtrans-65.4134176.3-16.229.7000111.5E371P369-E371 PolarHBondContact O-N 2.84Å; P369-E371 VanDerWaalsContact O-N 3.16Å
370S36.4Very low33.4Very low108 Ų108158.5 Ų158.576%0.75585%0.849SS**  trans-81.187.3178.6174.30000111
371E37.6Very low33.2Very low172 Ų172155 Ų15580%0.80485%0.846SS**  trans-101.9-3.3166.4-85.5-82.9138.200113.5P369P369-E371 PolarHBondContact O-N 2.84Å; P369-E371 VanDerWaalsContact O-N 3.16Å
372D36.4Very low32.9Very low156 Ų156155.9 Ų155.983%0.83485%0.85SS**  trans-134.267.5-173.5-76.1-47.8000114.4
373Y31.3Very low32.2Very low220 Ų220150.8 Ų150.886%0.86384%0.838SS**  trans-140.4110.4159.9-125-90000111.7
374R28.8Very low31.7Very low244 Ų244153 Ų15392%0.92184%0.843SS**PPolyproline II helixtrans-84.8132.4170.3-81.6-170.9-179.6-145.21.5109.9
375C25.8Very low30.9Very low130 Ų130156 Ų15688%0.87884%0.839SS**PPolyproline II helixtrans-74.7133.1166.2-70.80000110.1
376E28.3Very low30.4Very low185 Ų185154 Ų15486%0.86483%0.834SS**PPolyproline II helixtrans-95.3121.9176.3-160.4170.2-165.900109.3
377D29.7Very low29.8Very low158 Ų158150.5 Ų150.585%0.84584%0.835SS**PPolyproline II helixtrans-76.8122.7176.7-84.3-41.5000110.2
378T28.5Very low29.6Very low140 Ų140152.3 Ų152.386%0.85983%0.831SS**  trans-103.1104.4168.3-32.30000110.4
379L28.8Very low29.1Very low159 Ų159152.1 Ų152.183%0.83283%0.827SS**  trans-73.7150.4168.1-76.6165.8000111.5
380L31.8Very low28.8Very low177 Ų177151.3 Ų151.393%0.92782%0.824SS**  trans-48.6134.7169.8-67.6161000112.8
381A28.3Very low28.3Very low104 Ų104152.8 Ų152.886%0.8683%0.828SS**  trans-150.2143.2154.300000112.7
382Q28.2Very low27.7Very low201 Ų201153 Ų15394%0.93983%0.829SS**  trans-68.7156-177.7-161.684.45.200114.3
383G25.1Very low27.8Very low67 Ų67150.1 Ų150.169%0.69182%0.819SS**  trans130.4103.4157.100000112.9
384S23.9Very low27.5Very low114 Ų114148.7 Ų148.780%0.79782%0.817SS**  56.8112.280-160.90000114.4
385I27.6Very low27.4Very low146 Ų146142.3 Ų142.375%0.74981%0.81SS**  151.6125.3127.8-75.8168.8000111.5
386D25.6Very low27.3Very low148 Ų148141.1 Ų141.179%0.79180%0.803SS**  trans35.2124.4151.5-62.9-32.1000123.1
387S25.7Very low27.3Very low132 Ų132137.2 Ų137.292%0.92380%0.796SS**  trans-105118.1157.1-49.80000109
388Q28Very low27.3Very low166 Ų166137.9 Ų137.978%0.77679%0.794SS**  trans-132.3128.8164.9-151.1172.2-9.200109.4
389E24.8Very low27.2Very low154 Ų154139 Ų13972%0.7279%0.79SS**  trans58.3110155.7-82.8176.2131.900119.4
390S24.9Very low27.3Very low97 Ų97136.9 Ų136.968%0.67879%0.788SS**  91155.476.978.80000112.4
391V26.3Very low27.1Very low138 Ų138133 Ų13384%0.83678%0.782SS**  trans111.389.6172.1-171.40000115.3
392E23.6Very low27.5Very low176 Ų176134.5 Ų134.582%0.82278%0.783SS**  trans-76.6179.1141.9-120.6-169.7156.100109.3
393P39.3Very low27.5Very low97 Ų97132.2 Ų132.263%0.6378%0.776SS**  cis-141174.5-2.931.9-9.5000115.4
394K25.4Very low27.7Very low190 Ų190137 Ų13783%0.82679%0.785SS**  169.2128.3121.3-96.2176.1178.7175.80115
395S25.4Very low28Very low109 Ų109139.4 Ų139.476%0.76278%0.784SS**  trans54.4138.9139.6780000119.5
396S25.1Very low28Very low105 Ų105141 Ų14173%0.73479%0.788SS**  cis-172.2162.92043.10000110.2
397S27.6Very low28.3Very low104 Ų104140.8 Ų140.873%0.72779%0.785SS**  trans111.3101.614580.90000118.6
398Q28.8Very low28.5Very low172 Ų172139.8 Ų139.880%0.80478%0.778SS**  42.7133.5128.8-72.7176.4-8.100118.4
399Q28.2Very low28.6Very low163 Ų163137.7 Ų137.776%0.76278%0.776SS**  cis-172148.136.6-124.5166.516.200110.9
400S29.4Very low29Very low115 Ų115136.7 Ų136.780%0.80478%0.781SS**  trans73.3108.6144-450000122.1
401A29Very low29.3Very low96 Ų96138 Ų13879%0.79378%0.784SS**  trans-122.3157.5156.700000109.8
402P35.9Very low29.4Very low134 Ų134136.7 Ų136.787%0.8778%0.78SS**  trans-93.8156.1172.433.5-25.6000113.7
403L27.9Very low29.9Very low153 Ų153134.4 Ų134.480%0.80178%0.778SS**  trans-66.3142.2-166.5-136.481.4000115.4Q405L403-Q405 HydrophobicContact CD2-CG 4.19Å
404L29.3Very low29.6Very low169 Ų169135.5 Ų135.589%0.88579%0.788SS**  trans-120.9111.8164.7-125.3152.2000107.8
405Q29.8Very low30Very low163 Ų163133 Ų13376%0.76278%0.782SS**  trans-85.3118.7178.1-88.9175.6-31.800110.8L403L403-Q405 HydrophobicContact CD2-CG 4.19Å
406H28.3Very low30.4Very low181 Ų181135.2 Ų135.284%0.83879%0.785SS**  trans-80.7129.2161.5-104.3-83.9000109.5
407I31.2Very low31.5Very low143 Ų143135.3 Ų135.373%0.73378%0.783SS**  trans-118.2115.4164.6-64.9174.5000107.6V409I407-V409 HydrophobicContact CG2-CG2 4.01Å
408S30Very low31.7Very low110 Ų110134.5 Ų134.577%0.76978%0.783SS**  trans-84.2134.7164.9-66.20000109.4
409V30.9Very low32Very low123 Ų123134.5 Ų134.575%0.74579%0.787SS**  trans-135.4117.7161.3-178.10000109.7I407 V411I407-V409 HydrophobicContact CG2-CG2 4.01Å; V409-V411 HydrophobicContact CG1-CG2 4.21Å
410T32.5Very low32.3Very low132 Ų132134.2 Ų134.281%0.8179%0.79SS**  trans-95.2126.3169.6-44.40000107.7
411V30.6Very low32.6Very low124 Ų124136.9 Ų136.975%0.75279%0.789SS**  trans-150.3115.4158.3-178.70000112.5V409V409-V411 HydrophobicContact CG1-CG2 4.21Å
412C29.7Very low32.9Very low112 Ų112142 Ų14276%0.75779%0.794SS**  trans45.4126.6139.1-58.70000124.5
413V33.8Very low33.2Very low128 Ų128144.1 Ų144.178%0.77679%0.794SS**  trans-75.3135.7156172.80000110I415V413-I415 HydrophobicContact CG1-CD1 4.27Å; V413-I415 HydrophobicContact CG1-CG1 4.02Å
414S32.6Very low33.8Very low120 Ų120145.9 Ų145.984%0.83982%0.82SS**  trans-134.4136165.1-510000109.3
415I34.3Very low34.1Very low136 Ų136144.7 Ų144.770%0.69782%0.816SS**  trans-118.6147.1-168.2-77.8176.5000109.8V413V413-I415 HydrophobicContact CG1-CD1 4.27Å; V413-I415 HydrophobicContact CG1-CG1 4.02Å
416L34.5Very low34.3Very low156 Ų156143.7 Ų143.782%0.81782%0.819SS**  trans76.2162.3159.5-73.5154.7000119.4
417P48.3Very low34.6Very low107 Ų107141.7 Ų141.770%0.69582%0.818SS**  cis-140.6-176.5-46.137.7-19.6000115.1
418A31.8Very low34.8Very low88 Ų88141.6 Ų141.673%0.72782%0.823SS**  trans80.211415200000120
419L33.1Very low35.1Very low172 Ų172143.6 Ų143.690%0.90183%0.827SS**  -177.6105114.1-97.9151.9000111.2
420L36.3Very low35.4Very low157 Ų157144.9 Ų144.982%0.82283%0.832SS**  trans-77.3129153.6-87.5158.4000108.2
421H35.2Very low35.6Very low170 Ų170145.9 Ų145.979%0.78783%0.834SS**  trans145.4106.4146.4-85.2-43.3000111.2
422F34Very low36Very low203 Ų203147.5 Ų147.589%0.8984%0.84SS**  -174.7131.499.2-114.8-89.1000109.9
423M42.8Very low36.5Very low179 Ų179150.5 Ų150.588%0.88285%0.847SS**  trans-79.3146.4175.8-63.1178.458.800110.8
424S41.9Very low36.8Very low190 Ų190152.5 Ų152.5100%1.32985%0.853SS**  -172.20111.9-165.10000111.5

Retrieved 424 of 424 residues in 157.4 ms (Link to these results)

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