A0A3Q0KCM9_SCHMA Loading...

XPG_I_2 domain-containing protein

AlphaFold DB (A0A5K4EAA0), UniProt , Accession A0A3Q0KCM9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 722 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
1M60.3Low87.8Confident115 Ų11553.5 Ų53.557%0.56725%0.254SS*.  0155.20-60.2-152.4-50.200106.2R94 D166 S167M1-R94 PolarHBondContact SD-NH1 3.22Å; M1-R94 PolarHBondContact SD-NH2 2.98Å; M1-R94 VanDerWaalsContact SD-NH2 3.44Å; M1-D166 VanDerWaalsContact C-CG 3.48Å; M1-D166 VanDerWaalsContact C-OD1 3.25Å; M1-D166 WeakPolarHBondContact CB-OD2 3.48Å; M1-S167 PolarHBondContact O-N 3.39Å; M1-S167 PolarHBondContact O-OG 2.95Å; M1-S167 VanDerWaalsContact O-OG 3.12Å
2G83Confident88Confident4 Ų452.8 Ų52.84%0.04126%0.259CS..  trans77.2-150.4-165.600000113.4R4 D166 D168 D242G2-R4 PolarHBondContact O-N 3.11Å; G2-D166 WeakPolarHBondContact CA-OD1 3.34Å; G2-D166 PolarHBondContact N-OD1 2.78Å; G2-D166 PolarHBondContact N-OD2 3.5Å; G2-D168 VanDerWaalsContact CA-CG 3.47Å; G2-D168 WeakPolarHBondContact CA-OD1 3.18Å; G2-D168 VanDerWaalsContact CA-OD2 3.27Å; G2-D168 WeakPolarHBondContact CA-OD2 3.41Å; G2-D242 PolarHBondContact N-OD2 3.14Å
3I88.3Confident88.3Confident1 Ų153.1 Ų53.11%0.00526%0.262CS..SBendtrans-66.5104.1-177.7-55.5154.7000112.3G5 L6 S167 D168 I171 A236 V239 N241I3-G5 PolarHBondContact O-N 2.8Å; I3-L6 HydrophobicContact CB-CB 3.91Å; I3-L6 HydrophobicContact CB-CD2 4.02Å; I3-L6 HydrophobicContact CD1-CD2 3.58Å; I3-L6 HydrophobicContact CG1-CD2 4.44Å; I3-L6 HydrophobicContact CG2-CB 3.78Å; I3-L6 HydrophobicContact CG2-CD2 4.3Å; I3-L6 WeakPolarHBondContact O-CB 3.37Å; I3-L6 PolarHBondContact O-N 3.19Å; I3-S167 PolarHBondContact N-OG 3.15Å; I3-S167 PolarHBondContact O-OG 2.96Å; I3-D168 PolarHBondContact N-OD1 3.26Å; I3-I171 HydrophobicContact CD1-CD1 3.6Å; I3-I171 HydrophobicContact CD1-CG1 3.43Å; I3-I171 VanDerWaalsContact CD1-CG1 3.43Å; I3-A236 HydrophobicContact CD1-CB 3.46Å; I3-A236 VanDerWaalsContact CD1-CB 3.46Å; I3-A236 HydrophobicContact CG1-CB 4.22Å; I3-V239 HydrophobicContact CG2-CB 3.97Å; I3-V239 HydrophobicContact CG2-CG1 3.36Å; I3-N241 HydrophobicContact CG1-CB 3.9Å
4R85.3Confident88.5Confident192 Ų19255.8 Ų55.873%0.72529%0.289SS*.THydrogen-bonded Turntrans-49138.9176.3179.4177.4-173.6172.63.6110.1G2 L6 Y268G2-R4 PolarHBondContact O-N 3.11Å; R4-L6 PolarHBondContact O-N 3.08Å; R4-Y268 HydrophobicContact CB-CE1 4.49Å; R4-Y268 HydrophobicContact CB-CE2 4.4Å; R4-Y268 WeakPolarHBondContact CB-OH 3.42Å; R4-Y268 HydrophobicContact CG-CE2 4.29Å; R4-Y268 WeakPolarHBondContact O-CE1 3.45Å; R4-Y268 PolarHBondContact O-OH 2.75Å
5G89.9Confident88.9Confident22 Ų2258.6 Ų58.623%0.22731%0.305CS..THydrogen-bonded Turntrans71.1-10.8174.900000116.6I3 W7 T8 Y9 Q269I3-G5 PolarHBondContact O-N 2.8Å; G5-W7 PolarHBondContact O-N 2.83Å; G5-T8 PolarHBondContact O-N 3.13Å; G5-Y9 PolarHBondContact O-N 2.93Å; G5-Y9 VanDerWaalsContact O-N 3.07Å; G5-Q269 PolarHBondContact O-NE2 3.12Å
6L94Very high89.4Confident0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-63.2-43.8-178.9178.258.8000111.8I3 R4 T8 Y9 I10 F170 I171 F224 F235I3-L6 HydrophobicContact CB-CB 3.91Å; I3-L6 HydrophobicContact CB-CD2 4.02Å; I3-L6 HydrophobicContact CD1-CD2 3.58Å; I3-L6 HydrophobicContact CG1-CD2 4.44Å; I3-L6 HydrophobicContact CG2-CB 3.78Å; I3-L6 HydrophobicContact CG2-CD2 4.3Å; I3-L6 WeakPolarHBondContact O-CB 3.37Å; I3-L6 PolarHBondContact O-N 3.19Å; R4-L6 PolarHBondContact O-N 3.08Å; L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 3.5Å; L6-Y9 HydrophobicContact CD1-CD1 4.15Å; L6-Y9 WeakPolarHBondContact O-CA 3.3Å; L6-Y9 WeakPolarHBondContact O-CB 3.4Å; L6-Y9 PolarHBondContact O-N 3.31Å; L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CD1-CG1 4.09Å; L6-I10 HydrophobicContact CG-CG1 4.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 3.09Å; L6-F170 HydrophobicContact CD2-CB 4.11Å; L6-F170 HydrophobicContact CD2-CD2 4.45Å; L6-F170 HydrophobicContact CG-CD2 4.49Å; L6-I171 HydrophobicContact CD2-CD1 3.77Å; L6-I171 HydrophobicContact CD2-CG1 4.33Å; L6-F224 HydrophobicContact CD1-CE2 4.15Å; L6-F224 HydrophobicContact CD1-CZ 4.28Å; L6-F235 HydrophobicContact CD1-CE1 3.9Å; L6-F235 HydrophobicContact CD1-CZ 3.92Å; L6-F235 HydrophobicContact CD2-CE1 4.42Å
7W92.9Very high89.8Confident61 Ų6153.9 Ų53.923%0.23128%0.281CS..Hα-helixtrans-54.4-49.8176.9172-130000112.3G5 Y9 I10 Q11 L17 F170 P185 S187G5-W7 PolarHBondContact O-N 2.83Å; W7-Y9 PolarHBondContact O-N 3.13Å; W7-I10 PolarHBondContact O-N 3.21Å; W7-Q11 HydrophobicContact CD2-CG 3.82Å; W7-Q11 HydrophobicContact CE3-CG 3.74Å; W7-Q11 HydrophobicContact CH2-CG 3.6Å; W7-Q11 HydrophobicContact CZ2-CG 3.67Å; W7-Q11 HydrophobicContact CZ3-CG 3.61Å; W7-Q11 WeakPolarHBondContact O-CG 3.39Å; W7-Q11 PolarHBondContact O-N 2.86Å; W7-L17 HydrophobicContact CH2-CD1 4.09Å; W7-L17 HydrophobicContact CZ3-CD1 4.01Å; W7-F170 HydrophobicContact CB-CE2 4.47Å; W7-F170 HydrophobicContact CD2-CE2 4.42Å; W7-F170 HydrophobicContact CD2-CZ 4.39Å; W7-F170 HydrophobicContact CE3-CE1 4.35Å; W7-F170 AromaticContact CE3-CE2 3.59Å; W7-F170 HydrophobicContact CE3-CE2 3.59Å; W7-F170 AromaticContact CE3-CZ 3.24Å; W7-F170 HydrophobicContact CE3-CZ 3.24Å; W7-F170 HydrophobicContact CZ3-CE1 4.27Å; W7-F170 HydrophobicContact CZ3-CE2 4.24Å; W7-F170 AromaticContact CZ3-CZ 3.43Å; W7-F170 HydrophobicContact CZ3-CZ 3.43Å; W7-F170 VanDerWaalsContact CZ3-CZ 3.43Å; W7-P185 HydrophobicContact CE3-CB 4.37Å; W7-P185 HydrophobicContact CE3-CG 4.43Å; W7-P185 HydrophobicContact CH2-CB 3.31Å; W7-P185 HydrophobicContact CH2-CG 3.56Å; W7-P185 HydrophobicContact CZ2-CB 3.97Å; W7-P185 HydrophobicContact CZ3-CB 3.57Å; W7-P185 HydrophobicContact CZ3-CG 3.45Å; W7-P185 VanDerWaalsContact CZ3-CG 3.45Å; W7-S187 VanDerWaalsContact CZ2-OG 3.28Å; W7-S187 WeakPolarHBondContact CZ2-OG 3.35Å
8T92Very high90.2Very high75 Ų7553.2 Ų53.246%0.4628%0.281SS..Hα-helixtrans-60.1-36176.7-52.20000112.1G5 L6 S12G5-T8 PolarHBondContact O-N 3.13Å; L6-T8 VanDerWaalsContact C-N 3.34Å; L6-T8 PolarHBondContact O-N 3.5Å; T8-S12 PolarHBondContact O-N 2.67Å; T8-S12 VanDerWaalsContact O-N 3.11Å
9Y93.7Very high90.5Very high20 Ų2063.2 Ų63.28%0.07831%0.314CS..Hα-helixtrans-67.3-46.7176.3174.8-103.4000111.8G5 L6 W7 Q11 S12 F224 L262 Q269 I272 D273G5-Y9 PolarHBondContact O-N 2.93Å; G5-Y9 VanDerWaalsContact O-N 3.07Å; L6-Y9 HydrophobicContact CD1-CD1 4.15Å; L6-Y9 WeakPolarHBondContact O-CA 3.3Å; L6-Y9 WeakPolarHBondContact O-CB 3.4Å; L6-Y9 PolarHBondContact O-N 3.31Å; W7-Y9 PolarHBondContact O-N 3.13Å; Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 PolarHBondContact O-N 3Å; Y9-S12 WeakPolarHBondContact O-CB 3.25Å; Y9-S12 PolarHBondContact O-N 2.73Å; Y9-S12 VanDerWaalsContact O-N 3.09Å; Y9-S12 PolarHBondContact O-OG 2.84Å; Y9-F224 HydrophobicContact CE1-CD2 4.45Å; Y9-L262 HydrophobicContact CE2-CD1 4.27Å; Y9-Q269 VanDerWaalsContact CB-OE1 3.29Å; Y9-I272 HydrophobicContact CD1-CG2 3.47Å; Y9-I272 VanDerWaalsContact CD1-CG2 3.47Å; Y9-I272 HydrophobicContact CD2-CB 4.31Å; Y9-I272 HydrophobicContact CD2-CG2 3.87Å; Y9-I272 HydrophobicContact CE1-CG2 3.76Å; Y9-I272 HydrophobicContact CE2-CG2 4.15Å; Y9-I272 HydrophobicContact CG-CB 4.27Å; Y9-I272 HydrophobicContact CG-CG2 3.51Å; Y9-D273 HydrophobicContact CE2-CB 3.74Å; Y9-D273 PolarHBondContact OH-OD1 3.15Å
10I94Very high90.9Very high0 Ų063 Ų630%031%0.31CS..Hα-helixtrans-57-48.4176-65.1-60.8000110.7L6 W7 S12 N13 N16 L17 F170 F224L6-I10 HydrophobicContact CD1-CD1 4.23Å; L6-I10 HydrophobicContact CD1-CG1 4.09Å; L6-I10 HydrophobicContact CG-CG1 4.28Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 3.09Å; W7-I10 PolarHBondContact O-N 3.21Å; I10-S12 PolarHBondContact O-N 3.39Å; I10-N13 PolarHBondContact O-N 3.46Å; I10-N13 VanDerWaalsContact O-O 3.07Å; I10-N16 HydrophobicContact CG2-CB 3.93Å; I10-N16 PolarHBondContact O-ND2 3.32Å; I10-N16 VanDerWaalsContact O-ND2 3.07Å; I10-L17 HydrophobicContact CG2-CD1 4.45Å; I10-L17 HydrophobicContact CG2-CD2 4.09Å; I10-L17 HydrophobicContact CG2-CG 4.16Å; I10-F170 HydrophobicContact CB-CE1 4.47Å; I10-F170 HydrophobicContact CG1-CD1 4.14Å; I10-F170 HydrophobicContact CG1-CD2 4.37Å; I10-F170 HydrophobicContact CG1-CE1 4.31Å; I10-F170 HydrophobicContact CG1-CG 4.19Å; I10-F170 HydrophobicContact CG2-CD1 4.36Å; I10-F170 HydrophobicContact CG2-CE1 3.88Å; I10-F170 HydrophobicContact CG2-CZ 4.27Å; I10-F224 HydrophobicContact CD1-CB 3.81Å; I10-F224 HydrophobicContact CD1-CD1 3.44Å; I10-F224 VanDerWaalsContact CD1-CD1 3.44Å; I10-F224 HydrophobicContact CD1-CD2 3.43Å; I10-F224 VanDerWaalsContact CD1-CD2 3.43Å; I10-F224 HydrophobicContact CD1-CE1 3.77Å; I10-F224 HydrophobicContact CD1-CE2 3.77Å; I10-F224 HydrophobicContact CD1-CG 3.25Å; I10-F224 HydrophobicContact CD1-CZ 3.92Å
11Q92Very high91.1Very high98 Ų9864 Ų6446%0.45831%0.314SS..Hα-helixtrans-65.2-22.6178.9-69.6-172.8-57.200113.9W7 Y9 N13 L17W7-Q11 HydrophobicContact CD2-CG 3.82Å; W7-Q11 HydrophobicContact CE3-CG 3.74Å; W7-Q11 HydrophobicContact CH2-CG 3.6Å; W7-Q11 HydrophobicContact CZ2-CG 3.67Å; W7-Q11 HydrophobicContact CZ3-CG 3.61Å; W7-Q11 WeakPolarHBondContact O-CG 3.39Å; W7-Q11 PolarHBondContact O-N 2.86Å; Y9-Q11 VanDerWaalsContact C-N 3.33Å; Y9-Q11 PolarHBondContact O-N 3Å; Q11-N13 PolarHBondContact O-N 3.17Å; Q11-L17 HydrophobicContact CG-CD1 4.3Å
12S90.9Very high92.9Very high45 Ų4558.6 Ų58.632%0.31529%0.287SS..Hα-helixtrans-67.3-19.8-177.777.80000113.3T8 Y9 I10T8-S12 PolarHBondContact O-N 2.67Å; T8-S12 VanDerWaalsContact O-N 3.11Å; Y9-S12 WeakPolarHBondContact O-CB 3.25Å; Y9-S12 PolarHBondContact O-N 2.73Å; Y9-S12 VanDerWaalsContact O-N 3.09Å; Y9-S12 PolarHBondContact O-OG 2.84Å; I10-S12 PolarHBondContact O-N 3.39Å
13N91.3Very high93.6Very high57 Ų5759.1 Ų59.131%0.30529%0.289SS..SBendtrans-120.4111.5171.6-176-21.9000109.3I10 Q11 D15 N16I10-N13 PolarHBondContact O-N 3.46Å; I10-N13 VanDerWaalsContact O-O 3.07Å; Q11-N13 PolarHBondContact O-N 3.17Å; N13-D15 PolarHBondContact O-N 3.38Å; N13-D15 VanDerWaalsContact O-N 3.13Å; N13-D15 WeakPolarHBondContact OD1-CB 3.22Å; N13-D15 PolarHBondContact OD1-N 3.12Å; N13-N16 WeakPolarHBondContact O-CB 3.43Å; N13-N16 PolarHBondContact O-N 3.24Å; N13-N16 VanDerWaalsContact O-N 3.12Å
14S90.9Very high93.9Very high91 Ų9162 Ų6264%0.63630%0.304SS*.G310 helixtrans-57.7-27.8-178.550.10000113.3N16 L17S14-N16 PolarHBondContact O-N 3.24Å; S14-L17 PolarHBondContact O-N 3.44Å; S14-L17 VanDerWaalsContact O-N 3.08Å
15D95.8Very high94.4Very high98 Ų9854.9 Ų54.952%0.52428%0.279SS..G310 helixtrans-70.8-13.8-177.2-59.2-18.1000112.5N13 L17 N219 G222 P223N13-D15 PolarHBondContact O-N 3.38Å; N13-D15 VanDerWaalsContact O-N 3.13Å; N13-D15 WeakPolarHBondContact OD1-CB 3.22Å; N13-D15 PolarHBondContact OD1-N 3.12Å; D15-L17 VanDerWaalsContact C-N 3.25Å; D15-L17 PolarHBondContact O-N 3.01Å; D15-N219 WeakPolarHBondContact O-CB 3.45Å; D15-N219 PolarHBondContact O-ND2 3.17Å; D15-G222 VanDerWaalsContact O-CA 3.25Å; D15-G222 WeakPolarHBondContact O-CA 3.29Å; D15-P223 HydrophobicContact CB-CG 4.12Å
16N95.9Very high94.7Very high7 Ų754 Ų544%0.03727%0.27CS..G310 helixtrans-74-16.3172.5-67.9-36.1000113.1I10 N13 S14 N219 P223 F224I10-N16 HydrophobicContact CG2-CB 3.93Å; I10-N16 PolarHBondContact O-ND2 3.32Å; I10-N16 VanDerWaalsContact O-ND2 3.07Å; N13-N16 WeakPolarHBondContact O-CB 3.43Å; N13-N16 PolarHBondContact O-N 3.24Å; N13-N16 VanDerWaalsContact O-N 3.12Å; S14-N16 PolarHBondContact O-N 3.24Å; N16-N219 WeakPolarHBondContact O-CB 3.29Å; N16-N219 PolarHBondContact O-N 3.22Å; N16-P223 VanDerWaalsContact OD1-CD 3.3Å; N16-P223 WeakPolarHBondContact OD1-CD 3.44Å; N16-F224 VanDerWaalsContact OD1-CB 3.29Å; N16-F224 WeakPolarHBondContact OD1-CB 3.33Å; N16-F224 PolarHBondContact OD1-N 2.97Å
17L96.5Very high94.9Very high31 Ų3154 Ų5416%0.16227%0.27CS..EExtended strand (participates in β ladder)trans-129128.2-175.8-63.7175.6000110.3W7 I10 Q11 S14 D15 P185 I217W7-L17 HydrophobicContact CH2-CD1 4.09Å; W7-L17 HydrophobicContact CZ3-CD1 4.01Å; I10-L17 HydrophobicContact CG2-CD1 4.45Å; I10-L17 HydrophobicContact CG2-CD2 4.09Å; I10-L17 HydrophobicContact CG2-CG 4.16Å; Q11-L17 HydrophobicContact CG-CD1 4.3Å; S14-L17 PolarHBondContact O-N 3.44Å; S14-L17 VanDerWaalsContact O-N 3.08Å; D15-L17 VanDerWaalsContact C-N 3.25Å; D15-L17 PolarHBondContact O-N 3.01Å; L17-P185 HydrophobicContact CD2-CG 4.29Å; L17-I217 CarbonylContact C-O 3.56Å; L17-I217 WeakPolarHBondContact CA-O 3.38Å
18S96.8Very high95.2Very high41 Ų4151.1 Ų51.129%0.28726%0.259SS..EExtended strand (participates in β ladder)trans-100.1146.8175.1-66.50000110.1T216 I217 N219S18-T216 CarbonylContact O-C 3.5Å; S18-T216 VanDerWaalsContact O-CA 3.26Å; S18-T216 WeakPolarHBondContact O-CA 3.49Å; S18-I217 PolarHBondContact N-O 3.39Å; S18-I217 PolarHBondContact O-N 3.29Å; S18-N219 WeakPolarHBondContact OG-CB 3.47Å; S18-N219 VanDerWaalsContact OG-CG 3.3Å
19R96.7Very high95.5Very high243 Ų24347.6 Ų47.692%0.91724%0.237SC*.EExtended strand (participates in β ladder)trans-62.2139.7167.9-69.6-178.1-179.91611.2109.3
20Y97.1Very high95.7Very high59 Ų5947 Ų4723%0.23124%0.235CC..EExtended strand (participates in β ladder)trans-138.3145-179.1-170-100.4000110.9L22 Q25 P161 I184 C215 I217Y20-L22 HydrophobicContact CD1-CB 4.3Å; Y20-L22 HydrophobicContact CE1-CB 4.23Å; Y20-L22 HydrophobicContact CE1-CD1 4.29Å; Y20-Q25 PolarHBondContact OH-NE2 3.17Å; Y20-Q25 PolarHBondContact OH-OE1 3.24Å; Y20-Q25 VanDerWaalsContact OH-OE1 3.1Å; Y20-P161 HydrophobicContact CE1-CG 4.31Å; Y20-I184 HydrophobicContact CD1-CD1 3.9Å; Y20-I184 HydrophobicContact CE1-CD1 3.93Å; Y20-C215 PolarHBondContact N-O 3.43Å; Y20-C215 PolarHBondContact O-N 3.44Å; Y20-I217 HydrophobicContact CD2-CB 4.29Å; Y20-I217 HydrophobicContact CD2-CD1 4.01Å; Y20-I217 HydrophobicContact CD2-CG2 4Å; Y20-I217 HydrophobicContact CE2-CD1 4.06Å; Y20-I217 HydrophobicContact CG-CB 4.13Å; Y20-I217 HydrophobicContact CG-CD1 4.37Å; Y20-I217 HydrophobicContact CG-CG2 4.18Å
21E96.7Very high95.9Very high85 Ų8547 Ų4740%0.39724%0.235SC..EExtended strand (participates in β ladder)trans-112.6100.1177-62.7-167.9172.700109.3H23 R196 F212E21-H23 PolarHBondContact O-N 2.86Å; E21-R196 IonicContact OE2-CZ 3.12Å; E21-R196 IonicContact OE2-NE 2.86Å; E21-R196 PolarHBondContact OE2-NE 3.42Å; E21-R196 IonicContact OE2-NH2 2.75Å; E21-R196 PolarHBondContact OE2-NH2 2.83Å; E21-F212 HydrophobicContact CB-CB 4.08Å; E21-F212 HydrophobicContact CB-CD2 3.59Å; E21-F212 HydrophobicContact CB-CE2 4.23Å; E21-F212 HydrophobicContact CB-CG 3.99Å; E21-F212 HydrophobicContact CG-CD2 3.48Å; E21-F212 VanDerWaalsContact CG-CD2 3.48Å; E21-F212 HydrophobicContact CG-CE2 3.59Å; E21-F212 HydrophobicContact CG-CG 4.13Å; E21-F212 HydrophobicContact CG-CZ 4.33Å
22L97.6Very high96Very high0 Ų045.4 Ų45.40%023%0.228CC..EExtended strand (participates in β ladder)trans-76.2112-18017866.7000109.8Y20 Q25 L27 F66 V71 I184 I189 F212 I213Y20-L22 HydrophobicContact CD1-CB 4.3Å; Y20-L22 HydrophobicContact CE1-CB 4.23Å; Y20-L22 HydrophobicContact CE1-CD1 4.29Å; L22-Q25 HydrophobicContact CD1-CG 4.09Å; L22-L27 HydrophobicContact CD2-CD2 3.9Å; L22-F66 HydrophobicContact CD2-CD1 4.5Å; L22-F66 HydrophobicContact CD2-CE1 4.1Å; L22-V71 HydrophobicContact CD1-CG1 4.24Å; L22-V71 HydrophobicContact CD1-CG2 4.2Å; L22-V71 HydrophobicContact CD2-CG1 4.23Å; L22-V71 HydrophobicContact CD2-CG2 4.19Å; L22-V71 HydrophobicContact CG-CG1 4.26Å; L22-V71 HydrophobicContact CG-CG2 3.68Å; L22-I184 HydrophobicContact CD1-CD1 4.35Å; L22-I189 HydrophobicContact CD2-CD1 4.48Å; L22-F212 WeakPolarHBondContact O-CA 3.49Å; L22-I213 HydrophobicContact CB-CB 4.23Å; L22-I213 HydrophobicContact CD2-CB 4.46Å; L22-I213 HydrophobicContact CD2-CD1 4.35Å; L22-I213 PolarHBondContact N-O 3.42Å; L22-I213 PolarHBondContact O-N 3.34Å
23H96.9Very high96.3Very high16 Ų1643.8 Ų43.87%0.07422%0.215CC..  trans-159.2138.1-173.2170.572.6000111.6E21 Q25 C69 C200 Y211 F212E21-H23 PolarHBondContact O-N 2.86Å; H23-Q25 PolarHBondContact O-N 3.31Å; H23-C69 WeakPolarHBondContact CA-O 3.43Å; H23-C69 PolarHBondContact ND1-O 3.42Å; H23-C200 PolarHBondContact NE2-SG 3.2Å; H23-C200 VanDerWaalsContact NE2-SG 3.36Å; H23-Y211 PolarHBondContact ND1-O 3.38Å; H23-F212 HydrophobicContact CB-CB 3.99Å
24N94.9Very high96.5Very high61 Ų6141.1 Ų41.133%0.32620%0.201SC..SBendtrans51.153.9167.9-164.981.6000114.9C69 R70N24-C69 PolarHBondContact N-O 3.37Å; N24-R70 CarbonylContact C-O 3.54Å; N24-R70 WeakPolarHBondContact CA-O 3.3Å; N24-R70 HydrophobicContact CB-CB 4.23Å; N24-R70 PolarHBondContact N-O 3.29Å; N24-R70 WeakPolarHBondContact OD1-CD 3.42Å
25Q95.5Very high96.8Very high43 Ų4336.9 Ų36.920%0.20117%0.172CC..EExtended strand (participates in β ladder)trans-163.8160.2-177.461.1-171.243.500111.1Y20 L22 H23 R70 V71 E72Y20-Q25 PolarHBondContact OH-NE2 3.17Å; Y20-Q25 PolarHBondContact OH-OE1 3.24Å; Y20-Q25 VanDerWaalsContact OH-OE1 3.1Å; L22-Q25 HydrophobicContact CD1-CG 4.09Å; H23-Q25 PolarHBondContact O-N 3.31Å; Q25-R70 PolarHBondContact N-O 3.05Å; Q25-V71 VanDerWaalsContact O-CA 3.29Å; Q25-V71 WeakPolarHBondContact O-CA 3.44Å; Q25-E72 PolarHBondContact O-N 3.08Å
26P97.1Very high96.6Very high3 Ų333.1 Ų33.12%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-66.2158.3166.3-19.833.4000112.7E72 I74 C160P26-E72 CarbonylContact C-O 3.46Å; P26-E72 VanDerWaalsContact CA-O 3.25Å; P26-E72 WeakPolarHBondContact CA-O 3.43Å; P26-I74 HydrophobicContact CB-CD1 4.1Å; P26-C160 HydrophobicContact CB-CB 4.06Å; P26-C160 HydrophobicContact CG-CB 4.48Å; P26-C160 WeakPolarHBondContact O-CB 3.45Å
27L98.4Very high96.4Very high0 Ų034 Ų340%016%0.158CC..EExtended strand (participates in β ladder)trans-138.5115.7171.8176.165.7000108.2L22 I29 F66 V71 E72 P73 I74 P161 T163 I184 I189L22-L27 HydrophobicContact CD2-CD2 3.9Å; L27-I29 HydrophobicContact CD2-CD1 4.1Å; L27-I29 HydrophobicContact CD2-CG1 4.15Å; L27-I29 HydrophobicContact CG-CD1 4.36Å; L27-I29 HydrophobicContact CG-CG1 3.93Å; L27-F66 HydrophobicContact CD2-CE1 3.97Å; L27-F66 HydrophobicContact CD2-CZ 4Å; L27-V71 HydrophobicContact CB-CG1 3.74Å; L27-V71 HydrophobicContact CD2-CG1 4.23Å; L27-E72 PolarHBondContact N-O 3.41Å; L27-P73 CarbonylContact O-C 3.54Å; L27-P73 WeakPolarHBondContact O-CA 3.45Å; L27-I74 PolarHBondContact O-N 2.83Å; L27-P161 HydrophobicContact CD1-CB 4.14Å; L27-T163 HydrophobicContact CD1-CG2 3.83Å; L27-T163 HydrophobicContact CD2-CG2 3.88Å; L27-T163 HydrophobicContact CG-CG2 3.89Å; L27-I184 HydrophobicContact CD1-CD1 4.45Å; L27-I189 HydrophobicContact CD2-CD1 4.28Å
28V98.5Very high96.3Very high0 Ų032.6 Ų32.60%015%0.15CC..EExtended strand (participates in β ladder)trans-81.6131173.3-172.40000109I76 V151 L154 A155 L158 P161 V162 T163V28-I76 HydrophobicContact CG1-CG1 3.78Å; V28-V151 HydrophobicContact CG1-CB 4.49Å; V28-V151 HydrophobicContact CG1-CG1 3.63Å; V28-L154 HydrophobicContact CG1-CD2 4.06Å; V28-L154 HydrophobicContact CG1-CG 4.49Å; V28-L154 HydrophobicContact CG2-CD2 4.2Å; V28-L154 HydrophobicContact CG2-CG 4.08Å; V28-A155 HydrophobicContact CB-CB 4.07Å; V28-A155 HydrophobicContact CG2-CB 3.91Å; V28-L158 HydrophobicContact CG2-CD1 4.42Å; V28-P161 PolarHBondContact N-O 3.44Å; V28-V162 CarbonylContact O-C 3.52Å; V28-V162 VanDerWaalsContact O-CA 3.28Å; V28-V162 WeakPolarHBondContact O-CA 3.41Å; V28-T163 PolarHBondContact O-N 3.38Å
29I98.7Very high96Very high1 Ų130.8 Ų30.81%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-123.7126-172.5-54.8-178.2000109.4L27 A31 F34 F66 P73 I74 F75 I76 T163L27-I29 HydrophobicContact CD2-CD1 4.1Å; L27-I29 HydrophobicContact CD2-CG1 4.15Å; L27-I29 HydrophobicContact CG-CD1 4.36Å; L27-I29 HydrophobicContact CG-CG1 3.93Å; I29-A31 PolarHBondContact O-N 3.11Å; I29-A31 VanDerWaalsContact O-N 3.16Å; I29-F34 HydrophobicContact CG2-CB 3.82Å; I29-F34 HydrophobicContact CG2-CD2 3.94Å; I29-F34 HydrophobicContact CG2-CG 4.14Å; I29-F66 HydrophobicContact CD1-CE2 4.09Å; I29-F66 HydrophobicContact CD1-CZ 4.41Å; I29-P73 HydrophobicContact CD1-CB 3.61Å; I29-I74 PolarHBondContact N-O 3.37Å; I29-F75 HydrophobicContact CB-CD1 4.04Å; I29-F75 HydrophobicContact CB-CE1 4.16Å; I29-F75 HydrophobicContact CB-CG 4.36Å; I29-F75 HydrophobicContact CD1-CD2 4.37Å; I29-F75 HydrophobicContact CD1-CE1 4Å; I29-F75 HydrophobicContact CD1-CE2 3.81Å; I29-F75 HydrophobicContact CD1-CZ 3.6Å; I29-F75 HydrophobicContact CG2-CD1 3.84Å; I29-F75 HydrophobicContact CG2-CE1 3.69Å; I29-F75 HydrophobicContact CG2-CZ 4.38Å; I29-I76 PolarHBondContact O-N 2.83Å; I29-T163 HydrophobicContact CB-CG2 4.19Å; I29-T163 HydrophobicContact CD1-CG2 4.46Å; I29-T163 HydrophobicContact CG1-CG2 3.68Å; I29-T163 HydrophobicContact CG2-CG2 4.18Å
30D98.1Very high95.7Very high8 Ų824.4 Ų24.44%0.04311%0.113CC..EExtended strand (participates in β ladder)trans-66.6106.1162.5169.6-1.5000109.4E32 N33 F34 V151 T163 S164 F169D30-E32 PolarHBondContact OD1-N 3.09Å; D30-N33 HydrophobicContact CB-CB 4.23Å; D30-N33 VanDerWaalsContact CG-CB 3.42Å; D30-N33 PolarHBondContact OD1-N 2.89Å; D30-N33 VanDerWaalsContact OD1-N 3.14Å; D30-N33 WeakPolarHBondContact OD2-CB 3.26Å; D30-F34 VanDerWaalsContact O-CB 3.31Å; D30-F34 WeakPolarHBondContact O-CB 3.43Å; D30-F34 PolarHBondContact O-N 2.96Å; D30-V151 HydrophobicContact CB-CG1 4.43Å; D30-T163 PolarHBondContact N-O 2.88Å; D30-T163 VanDerWaalsContact N-O 3.15Å; D30-S164 PolarHBondContact OD2-OG 3.44Å; D30-F169 HydrophobicContact CB-CE2 4.47Å; D30-F169 HydrophobicContact CB-CZ 4.13Å
31A98.4Very high95.4Very high0 Ų027.1 Ų27.10%013%0.128CC..Hα-helixtrans-74.2-35.1-168.300000113.4I29 F34 A35 F75 I76 F77 L129I29-A31 PolarHBondContact O-N 3.11Å; I29-A31 VanDerWaalsContact O-N 3.16Å; A31-F34 PolarHBondContact O-N 2.94Å; A31-A35 WeakPolarHBondContact O-CB 3.38Å; A31-A35 PolarHBondContact O-N 3.1Å; A31-F75 HydrophobicContact CB-CB 4.04Å; A31-F75 HydrophobicContact CB-CD1 3.87Å; A31-F75 HydrophobicContact CB-CG 4.48Å; A31-I76 WeakPolarHBondContact CB-O 3.39Å; A31-I76 PolarHBondContact N-O 2.92Å; A31-F77 HydrophobicContact CB-CD1 3.59Å; A31-F77 HydrophobicContact CB-CD2 3.64Å; A31-F77 HydrophobicContact CB-CE1 3.53Å; A31-F77 HydrophobicContact CB-CE2 3.59Å; A31-F77 HydrophobicContact CB-CG 3.65Å; A31-F77 HydrophobicContact CB-CZ 3.55Å; A31-L129 HydrophobicContact CB-CD2 4.43Å
32E94.4Very high95.1Very high64 Ų6424.3 Ų24.330%0.29912%0.119SC..Hα-helixtrans-67.3-42.7178.5-68.7-65.6168.800110.2D30 A35 A36 R126D30-E32 PolarHBondContact OD1-N 3.09Å; E32-A35 PolarHBondContact O-N 3.43Å; E32-A36 PolarHBondContact O-N 3.41Å; E32-R126 WeakPolarHBondContact OE1-CD 3.38Å; E32-R126 WeakPolarHBondContact OE1-CG 3.48Å; E32-R126 IonicContact OE1-CZ 3.42Å; E32-R126 IonicContact OE1-NE 3.35Å; E32-R126 PolarHBondContact OE1-NE 3.45Å
33N95.3Very high94.8Very high11 Ų1128.4 Ų28.46%0.05915%0.153CC..Hα-helixtrans-65.8-44174.8-170.2-78.1000111.9D30 A35 A36 F37 G165 D166D30-N33 HydrophobicContact CB-CB 4.23Å; D30-N33 VanDerWaalsContact CG-CB 3.42Å; D30-N33 PolarHBondContact OD1-N 2.89Å; D30-N33 VanDerWaalsContact OD1-N 3.14Å; D30-N33 WeakPolarHBondContact OD2-CB 3.26Å; N33-A35 VanDerWaalsContact C-N 3.34Å; N33-A35 PolarHBondContact O-N 2.71Å; N33-A36 PolarHBondContact O-N 2.84Å; N33-F37 WeakPolarHBondContact O-CB 3.47Å; N33-F37 PolarHBondContact O-N 3.25Å; N33-G165 VanDerWaalsContact CG-N 3.28Å; N33-G165 VanDerWaalsContact ND2-C 3.34Å; N33-G165 VanDerWaalsContact OD1-CA 3.22Å; N33-G165 WeakPolarHBondContact OD1-CA 3.15Å; N33-G165 PolarHBondContact OD1-N 3.42Å; N33-D166 PolarHBondContact ND2-N 2.97Å; N33-D166 VanDerWaalsContact ND2-N 3.2Å
34F97.2Very high94.4Very high1 Ų129.5 Ų29.50%0.00416%0.157CC..Hα-helixtrans-55.8-47.4176.4177-84.9000111.8I29 D30 A31 A36 F37 C38 V59 F62 F75 L129 F186I29-F34 HydrophobicContact CG2-CB 3.82Å; I29-F34 HydrophobicContact CG2-CD2 3.94Å; I29-F34 HydrophobicContact CG2-CG 4.14Å; D30-F34 VanDerWaalsContact O-CB 3.31Å; D30-F34 WeakPolarHBondContact O-CB 3.43Å; D30-F34 PolarHBondContact O-N 2.96Å; A31-F34 PolarHBondContact O-N 2.94Å; F34-A36 PolarHBondContact O-N 3.49Å; F34-F37 PolarHBondContact O-N 2.65Å; F34-C38 VanDerWaalsContact CE1-SG 3.55Å; F34-C38 WeakPolarHBondContact CZ-SG 3.4Å; F34-C38 WeakPolarHBondContact O-CB 3.41Å; F34-C38 PolarHBondContact O-N 3.09Å; F34-C38 PolarHBondContact O-SG 3.01Å; F34-C38 VanDerWaalsContact O-SG 3.4Å; F34-V59 HydrophobicContact CE1-CG1 4Å; F34-V59 HydrophobicContact CE1-CG2 4.02Å; F34-V59 HydrophobicContact CZ-CG1 4.25Å; F34-F62 HydrophobicContact CE2-CG 4.47Å; F34-F62 HydrophobicContact CZ-CB 4.4Å; F34-F62 HydrophobicContact CZ-CD2 4.44Å; F34-F62 HydrophobicContact CZ-CG 4.46Å; F34-F75 HydrophobicContact CB-CE1 4.21Å; F34-F75 AromaticContact CD1-CE1 3.61Å; F34-F75 HydrophobicContact CD1-CE1 3.61Å; F34-F75 HydrophobicContact CD1-CZ 4.34Å; F34-F75 AromaticContact CD2-CE1 3.89Å; F34-F75 HydrophobicContact CD2-CE1 3.89Å; F34-F75 HydrophobicContact CD2-CZ 4.32Å; F34-F75 AromaticContact CE1-CE1 3.85Å; F34-F75 HydrophobicContact CE1-CE1 3.85Å; F34-F75 HydrophobicContact CE1-CZ 4.14Å; F34-F75 HydrophobicContact CE2-CE1 4.13Å; F34-F75 HydrophobicContact CE2-CZ 4.13Å; F34-F75 AromaticContact CG-CE1 3.64Å; F34-F75 HydrophobicContact CG-CE1 3.64Å; F34-F75 HydrophobicContact CG-CZ 4.44Å; F34-F75 HydrophobicContact CZ-CE1 4.12Å; F34-F75 HydrophobicContact CZ-CZ 4.05Å; F34-L129 HydrophobicContact CD1-CD1 4.09Å; F34-L129 HydrophobicContact CD1-CD2 3.9Å; F34-L129 HydrophobicContact CE1-CD1 3.88Å; F34-F186 HydrophobicContact CB-CE1 4.35Å; F34-F186 AromaticContact CD2-CE1 3.53Å; F34-F186 HydrophobicContact CD2-CE1 3.53Å; F34-F186 AromaticContact CD2-CE2 3.68Å; F34-F186 HydrophobicContact CD2-CE2 3.68Å; F34-F186 AromaticContact CD2-CZ 3.11Å; F34-F186 HydrophobicContact CD2-CZ 3.11Å; F34-F186 HydrophobicContact CE2-CE1 4.11Å; F34-F186 AromaticContact CE2-CE2 3.86Å; F34-F186 HydrophobicContact CE2-CE2 3.86Å; F34-F186 AromaticContact CE2-CZ 3.3Å; F34-F186 HydrophobicContact CE2-CZ 3.3Å; F34-F186 HydrophobicContact CG-CE1 4.13Å; F34-F186 HydrophobicContact CG-CZ 4.11Å; F34-F186 HydrophobicContact CZ-CZ 4.42Å
35A95.5Very high94Very high3 Ų329.5 Ų29.53%0.02515%0.153CC..Hα-helixtrans-58.2-50.4-179.500000111.2A31 E32 N33 C38 Y39 F55 L129A31-A35 WeakPolarHBondContact O-CB 3.38Å; A31-A35 PolarHBondContact O-N 3.1Å; E32-A35 PolarHBondContact O-N 3.43Å; N33-A35 VanDerWaalsContact C-N 3.34Å; N33-A35 PolarHBondContact O-N 2.71Å; A35-C38 PolarHBondContact O-N 3.27Å; A35-Y39 PolarHBondContact O-N 3.11Å; A35-F55 HydrophobicContact CB-CZ 4.47Å; A35-L129 HydrophobicContact CB-CD2 3.79Å
36A92.2Very high93.6Very high18 Ų1828 Ų2815%0.14915%0.147CC..Hα-helixtrans-67.3-39-179.600000112.6E32 N33 F34 R40E32-A36 PolarHBondContact O-N 3.41Å; N33-A36 PolarHBondContact O-N 2.84Å; F34-A36 PolarHBondContact O-N 3.49Å; A36-R40 PolarHBondContact O-N 2.86Å
37F92.8Very high93.3Very high27 Ų2728.3 Ų28.312%0.11815%0.148CC..Hα-helixtrans-62.8-49.9175.5174.6-84.3000111.3N33 F34 Y39 R40 Q41 F186N33-F37 WeakPolarHBondContact O-CB 3.47Å; N33-F37 PolarHBondContact O-N 3.25Å; F34-F37 PolarHBondContact O-N 2.65Å; F37-Y39 PolarHBondContact O-N 3.41Å; F37-R40 PolarHBondContact O-N 3.07Å; F37-R40 VanDerWaalsContact O-N 3.11Å; F37-Q41 HydrophobicContact CD1-CB 4.04Å; F37-Q41 HydrophobicContact CE1-CB 3.68Å; F37-Q41 HydrophobicContact CE1-CG 3.82Å; F37-Q41 HydrophobicContact CE2-CB 4.48Å; F37-Q41 HydrophobicContact CZ-CB 3.92Å; F37-Q41 HydrophobicContact CZ-CG 3.86Å; F37-Q41 WeakPolarHBondContact O-CB 3.29Å; F37-Q41 PolarHBondContact O-N 3.31Å; F37-F186 HydrophobicContact CB-CD1 3.64Å; F37-F186 HydrophobicContact CB-CE1 3.67Å; F37-F186 AromaticContact CD1-CD1 3.37Å; F37-F186 HydrophobicContact CD1-CD1 3.37Å; F37-F186 AromaticContact CD1-CE1 2.98Å; F37-F186 HydrophobicContact CD1-CE1 2.98Å; F37-F186 HydrophobicContact CD1-CG 4.49Å; F37-F186 AromaticContact CD1-CZ 3.83Å; F37-F186 HydrophobicContact CD1-CZ 3.83Å; F37-F186 AromaticContact CD2-CD1 3.93Å; F37-F186 HydrophobicContact CD2-CD1 3.93Å; F37-F186 HydrophobicContact CD2-CE1 4.38Å; F37-F186 AromaticContact CE1-CD1 3.91Å; F37-F186 HydrophobicContact CE1-CD1 3.91Å; F37-F186 AromaticContact CE1-CE1 3.62Å; F37-F186 HydrophobicContact CE1-CE1 3.62Å; F37-F186 HydrophobicContact CE1-CZ 4.12Å; F37-F186 HydrophobicContact CE2-CD1 4.44Å; F37-F186 AromaticContact CG-CD1 3.34Å; F37-F186 HydrophobicContact CG-CD1 3.34Å; F37-F186 AromaticContact CG-CE1 3.42Å; F37-F186 HydrophobicContact CG-CE1 3.42Å; F37-F186 VanDerWaalsContact CG-CE1 3.42Å; F37-F186 HydrophobicContact CZ-CD1 4.42Å
38C93.9Very high93.1Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-57.4-41-177.5-80.90000111.5F34 A35 A42 F55 Y58F34-C38 VanDerWaalsContact CE1-SG 3.55Å; F34-C38 WeakPolarHBondContact CZ-SG 3.4Å; F34-C38 WeakPolarHBondContact O-CB 3.41Å; F34-C38 PolarHBondContact O-N 3.09Å; F34-C38 PolarHBondContact O-SG 3.01Å; F34-C38 VanDerWaalsContact O-SG 3.4Å; A35-C38 PolarHBondContact O-N 3.27Å; C38-A42 VanDerWaalsContact O-CB 3.27Å; C38-A42 WeakPolarHBondContact O-CB 3.32Å; C38-A42 PolarHBondContact O-N 2.97Å; C38-A42 VanDerWaalsContact O-N 3.14Å; C38-F55 HydrophobicContact CB-CD2 4.46Å; C38-F55 HydrophobicContact CB-CE2 3.76Å; C38-Y58 HydrophobicContact CB-CD1 3.97Å; C38-Y58 HydrophobicContact CB-CE1 3.99Å; C38-Y58 WeakPolarHBondContact O-CE1 3.29Å
39Y91Very high92.8Very high3 Ų328.6 Ų28.61%0.01215%0.15CC..Hα-helixtrans-62.1-46.3176.5-126-80.9000113.1A35 F37 A43 F44 G50 E51 F55 P122 C125A35-Y39 PolarHBondContact O-N 3.11Å; F37-Y39 PolarHBondContact O-N 3.41Å; Y39-A43 PolarHBondContact O-N 3.18Å; Y39-F44 HydrophobicContact CD1-CB 3.7Å; Y39-F44 AromaticContact CD1-CD2 3.82Å; Y39-F44 HydrophobicContact CD1-CD2 3.82Å; Y39-F44 HydrophobicContact CD1-CG 4.28Å; Y39-F44 HydrophobicContact CD2-CD2 4.41Å; Y39-F44 HydrophobicContact CE1-CB 3.52Å; Y39-F44 AromaticContact CE1-CD2 3.89Å; Y39-F44 HydrophobicContact CE1-CD2 3.89Å; Y39-F44 HydrophobicContact CE1-CG 4.16Å; Y39-F44 HydrophobicContact CE2-CD2 4.49Å; Y39-F44 HydrophobicContact CG-CD2 4.08Å; Y39-F44 PolarHBondContact O-N 3.04Å; Y39-G50 VanDerWaalsContact OH-CA 3.3Å; Y39-G50 WeakPolarHBondContact OH-CA 2.99Å; Y39-E51 PolarHBondContact OH-N 3.36Å; Y39-F55 HydrophobicContact CD2-CB 4.33Å; Y39-F55 AromaticContact CD2-CD2 3.4Å; Y39-F55 HydrophobicContact CD2-CD2 3.4Å; Y39-F55 VanDerWaalsContact CD2-CD2 3.4Å; Y39-F55 AromaticContact CD2-CE2 3.74Å; Y39-F55 HydrophobicContact CD2-CE2 3.74Å; Y39-F55 AromaticContact CD2-CG 3.86Å; Y39-F55 HydrophobicContact CD2-CG 3.86Å; Y39-F55 HydrophobicContact CD2-CZ 4.44Å; Y39-F55 HydrophobicContact CE2-CB 3.76Å; Y39-F55 HydrophobicContact CE2-CD1 4.23Å; Y39-F55 AromaticContact CE2-CD2 3.71Å; Y39-F55 HydrophobicContact CE2-CD2 3.71Å; Y39-F55 HydrophobicContact CE2-CE2 4.34Å; Y39-F55 AromaticContact CE2-CG 3.64Å; Y39-F55 HydrophobicContact CE2-CG 3.64Å; Y39-F55 HydrophobicContact CG-CD2 4.35Å; Y39-P122 HydrophobicContact CD1-CG 4.22Å; Y39-P122 HydrophobicContact CE1-CG 3.57Å; Y39-P122 HydrophobicContact CE2-CG 4.27Å; Y39-C125 HydrophobicContact CD2-CB 4.41Å; Y39-C125 VanDerWaalsContact CD2-SG 3.59Å
40R90.1Very high92.6Very high110 Ų11028.6 Ų28.642%0.41515%0.149SC..Hα-helixtrans-69.1-47.1-180-74.8-171.5-63.5-96.9-4.1112.4A36 F37 A42 A43 D119A36-R40 PolarHBondContact O-N 2.86Å; F37-R40 PolarHBondContact O-N 3.07Å; F37-R40 VanDerWaalsContact O-N 3.11Å; R40-A42 VanDerWaalsContact C-N 3.28Å; R40-A42 PolarHBondContact O-N 3.28Å; R40-A43 WeakPolarHBondContact O-CA 3.42Å; R40-A43 PolarHBondContact O-N 3.26Å; R40-D119 WeakPolarHBondContact CD-OD1 3.41Å; R40-D119 WeakPolarHBondContact CD-OD2 3.36Å; R40-D119 VanDerWaalsContact CG-OD1 3.27Å; R40-D119 WeakPolarHBondContact CG-OD1 3.49Å
41Q90.8Very high92.5Very high116 Ų11628.9 Ų28.954%0.54215%0.151SC..Hα-helixtrans-63.7-36.1-177.2-17562.833.600111.6F37 A43 Y58F37-Q41 HydrophobicContact CD1-CB 4.04Å; F37-Q41 HydrophobicContact CE1-CB 3.68Å; F37-Q41 HydrophobicContact CE1-CG 3.82Å; F37-Q41 HydrophobicContact CE2-CB 4.48Å; F37-Q41 HydrophobicContact CZ-CB 3.92Å; F37-Q41 HydrophobicContact CZ-CG 3.86Å; F37-Q41 WeakPolarHBondContact O-CB 3.29Å; F37-Q41 PolarHBondContact O-N 3.31Å; Q41-A43 PolarHBondContact O-N 3.38Å; Q41-Y58 WeakPolarHBondContact CG-OH 3.28Å
42A90.6Very high92.5Very high26 Ų2628.9 Ų28.922%0.21515%0.151CC..THydrogen-bonded Turntrans-76.9-4.1174.200000113.8C38 R40 F44 Y58C38-A42 VanDerWaalsContact O-CB 3.27Å; C38-A42 WeakPolarHBondContact O-CB 3.32Å; C38-A42 PolarHBondContact O-N 2.97Å; C38-A42 VanDerWaalsContact O-N 3.14Å; R40-A42 VanDerWaalsContact C-N 3.28Å; R40-A42 PolarHBondContact O-N 3.28Å; A42-F44 HydrophobicContact CB-CD1 4.07Å; A42-F44 HydrophobicContact CB-CD2 3.78Å; A42-F44 HydrophobicContact CB-CE1 3.7Å; A42-F44 HydrophobicContact CB-CE2 3.36Å; A42-F44 HydrophobicContact CB-CG 4.11Å; A42-F44 HydrophobicContact CB-CZ 3.34Å; A42-F44 PolarHBondContact O-N 3.12Å; A42-Y58 HydrophobicContact CB-CD1 3.99Å; A42-Y58 HydrophobicContact CB-CD2 3.94Å; A42-Y58 HydrophobicContact CB-CE1 3.98Å; A42-Y58 HydrophobicContact CB-CE2 3.96Å; A42-Y58 HydrophobicContact CB-CG 3.96Å
43A89.7Confident92.6Very high85 Ų8526 Ų2670%0.70214%0.137SC*.THydrogen-bonded Turntrans51.140.7-178.700000113.4Y39 R40 Q41Y39-A43 PolarHBondContact O-N 3.18Å; R40-A43 WeakPolarHBondContact O-CA 3.42Å; R40-A43 PolarHBondContact O-N 3.26Å; Q41-A43 PolarHBondContact O-N 3.38Å
44F89.7Confident92.6Very high39 Ų3926.1 Ų26.117%0.17114%0.14CC..  trans-67.1149.2177.5-63.8-43.4000111.8Y39 A42 C46 A54 F55 Y58Y39-F44 HydrophobicContact CD1-CB 3.7Å; Y39-F44 AromaticContact CD1-CD2 3.82Å; Y39-F44 HydrophobicContact CD1-CD2 3.82Å; Y39-F44 HydrophobicContact CD1-CG 4.28Å; Y39-F44 HydrophobicContact CD2-CD2 4.41Å; Y39-F44 HydrophobicContact CE1-CB 3.52Å; Y39-F44 AromaticContact CE1-CD2 3.89Å; Y39-F44 HydrophobicContact CE1-CD2 3.89Å; Y39-F44 HydrophobicContact CE1-CG 4.16Å; Y39-F44 HydrophobicContact CE2-CD2 4.49Å; Y39-F44 HydrophobicContact CG-CD2 4.08Å; Y39-F44 PolarHBondContact O-N 3.04Å; A42-F44 HydrophobicContact CB-CD1 4.07Å; A42-F44 HydrophobicContact CB-CD2 3.78Å; A42-F44 HydrophobicContact CB-CE1 3.7Å; A42-F44 HydrophobicContact CB-CE2 3.36Å; A42-F44 HydrophobicContact CB-CG 4.11Å; A42-F44 HydrophobicContact CB-CZ 3.34Å; A42-F44 PolarHBondContact O-N 3.12Å; F44-C46 PolarHBondContact O-N 2.87Å; F44-A54 HydrophobicContact CD1-CB 4.17Å; F44-A54 HydrophobicContact CE1-CB 3.67Å; F44-A54 HydrophobicContact CZ-CB 4.01Å; F44-A54 WeakPolarHBondContact CZ-O 3.41Å; F44-F55 HydrophobicContact CD2-CB 4.48Å; F44-F55 HydrophobicContact CE2-CB 4.06Å; F44-F55 HydrophobicContact CE2-CD2 4.22Å; F44-Y58 HydrophobicContact CZ-CG 4.26Å
45R86Confident92.6Very high62 Ų6226 Ų2623%0.23414%0.139CC..  trans-74.4104.4178.8-68.7-170.474.9175.62.3110.6E47 Y48 E114R45-E47 VanDerWaalsContact C-OE2 3.23Å; R45-E47 VanDerWaalsContact CA-OE2 3.23Å; R45-E47 WeakPolarHBondContact CA-OE2 3.44Å; R45-E47 VanDerWaalsContact CB-OE2 3.23Å; R45-E47 WeakPolarHBondContact CB-OE2 3.02Å; R45-E47 IonicContact CZ-OE1 3.02Å; R45-E47 IonicContact NE-OE1 2.69Å; R45-E47 PolarHBondContact NE-OE1 3.01Å; R45-E47 IonicContact NE-OE2 3.41Å; R45-E47 IonicContact NH2-OE1 2.75Å; R45-E47 PolarHBondContact NH2-OE1 3.15Å; R45-Y48 HydrophobicContact CB-CD2 4.4Å; R45-Y48 PolarHBondContact NH2-OH 3Å; R45-Y48 VanDerWaalsContact NH2-OH 3.12Å; R45-E114 PolarHBondContact NH2-O 3.38Å; R45-E114 VanDerWaalsContact NH2-O 3.08Å
46C88.2Confident92.6Very high11 Ų1126.2 Ų26.27%0.07414%0.139CC..THydrogen-bonded Turntrans-80.1-20.9-178.6-66.40000113F44 Y48 G49 I118 I120 M417F44-C46 PolarHBondContact O-N 2.87Å; C46-Y48 PolarHBondContact O-N 3.23Å; C46-Y48 VanDerWaalsContact O-N 3.1Å; C46-G49 PolarHBondContact O-N 3.07Å; C46-I118 WeakPolarHBondContact CB-O 3.36Å; C46-I120 WeakPolarHBondContact CB-O 3.12Å; C46-M417 WeakPolarHBondContact O-CG 3.48Å
47E90.5Very high92.7Very high9 Ų926.7 Ų26.74%0.04215%0.147CC..THydrogen-bonded Turntrans-65.7-17.3-17166.3-91.9-138.800114.6R45 L116 M417 F602 V607R45-E47 VanDerWaalsContact C-OE2 3.23Å; R45-E47 VanDerWaalsContact CA-OE2 3.23Å; R45-E47 WeakPolarHBondContact CA-OE2 3.44Å; R45-E47 VanDerWaalsContact CB-OE2 3.23Å; R45-E47 WeakPolarHBondContact CB-OE2 3.02Å; R45-E47 IonicContact CZ-OE1 3.02Å; R45-E47 IonicContact NE-OE1 2.69Å; R45-E47 PolarHBondContact NE-OE1 3.01Å; R45-E47 IonicContact NE-OE2 3.41Å; R45-E47 IonicContact NH2-OE1 2.75Å; R45-E47 PolarHBondContact NH2-OE1 3.15Å; E47-L116 HydrophobicContact CB-CB 3.99Å; E47-L116 HydrophobicContact CB-CD1 4.18Å; E47-M417 HydrophobicContact CB-CE 4.22Å; E47-F602 HydrophobicContact CB-CE2 4.38Å; E47-F602 HydrophobicContact CB-CZ 4.5Å; E47-F602 HydrophobicContact CG-CE2 4.39Å; E47-F602 WeakPolarHBondContact O-CZ 3.42Å; E47-V607 WeakPolarHBondContact O-CG1 3.39Å
48Y93.1Very high92.8Very high6 Ų627.4 Ų27.42%0.02415%0.149CC..THydrogen-bonded Turntrans-98.711.1177-56.8-63.6000114R45 C46 G50 F602 V607 R664 Y667R45-Y48 HydrophobicContact CB-CD2 4.4Å; R45-Y48 PolarHBondContact NH2-OH 3Å; R45-Y48 VanDerWaalsContact NH2-OH 3.12Å; C46-Y48 PolarHBondContact O-N 3.23Å; C46-Y48 VanDerWaalsContact O-N 3.1Å; Y48-G50 VanDerWaalsContact C-N 3.35Å; Y48-F602 HydrophobicContact CD1-CE2 4.04Å; Y48-F602 HydrophobicContact CE1-CD2 4.07Å; Y48-F602 AromaticContact CE1-CE2 3.9Å; Y48-F602 HydrophobicContact CE1-CE2 3.9Å; Y48-V607 HydrophobicContact CD1-CG2 4.49Å; Y48-R664 HydrophobicContact CD2-CB 3.58Å; Y48-R664 HydrophobicContact CD2-CG 3.86Å; Y48-R664 HydrophobicContact CE2-CB 3.91Å; Y48-R664 HydrophobicContact CE2-CG 3.61Å; Y48-R664 HydrophobicContact CG-CB 4.14Å; Y48-Y667 AromaticContact CD1-CD1 3.77Å; Y48-Y667 HydrophobicContact CD1-CD1 3.77Å; Y48-Y667 HydrophobicContact CD1-CD2 4.13Å; Y48-Y667 HydrophobicContact CD1-CE1 4.41Å; Y48-Y667 AromaticContact CD1-CG 3.61Å; Y48-Y667 HydrophobicContact CD1-CG 3.61Å; Y48-Y667 AromaticContact CE1-CD1 3.44Å; Y48-Y667 HydrophobicContact CE1-CD1 3.44Å; Y48-Y667 VanDerWaalsContact CE1-CD1 3.44Å; Y48-Y667 HydrophobicContact CE1-CD2 4.4Å; Y48-Y667 AromaticContact CE1-CE1 3.77Å; Y48-Y667 HydrophobicContact CE1-CE1 3.77Å; Y48-Y667 AromaticContact CE1-CG 3.8Å; Y48-Y667 HydrophobicContact CE1-CG 3.8Å
49G92.8Very high92.9Very high1 Ų127.4 Ų27.41%0.0115%0.149CC..THydrogen-bonded Turntrans81.78.2178.200000115.1C46 Y52 N611 Q614C46-G49 PolarHBondContact O-N 3.07Å; G49-Y52 PolarHBondContact O-OH 2.85Å; G49-N611 WeakPolarHBondContact CA-OD1 3.45Å; G49-Q614 PolarHBondContact O-NE2 3.22Å; G49-Q614 PolarHBondContact O-OE1 3.33Å
50G95Very high93Very high0 Ų030 Ų300%016%0.161CC..  trans127.2146.7167.400000115.9Y39 Y48 G663Y39-G50 VanDerWaalsContact OH-CA 3.3Å; Y39-G50 WeakPolarHBondContact OH-CA 2.99Å; Y48-G50 VanDerWaalsContact C-N 3.35Å; G50-G663 VanDerWaalsContact O-CA 3.31Å; G50-G663 WeakPolarHBondContact O-CA 3.34Å; G50-G663 PolarHBondContact O-N 3.1Å
51E96Very high93.2Very high15 Ų1526.3 Ų26.37%0.0715%0.152CC..  trans-115.770.3174.7-62.7-59.3144.800109.9Y39 L53 A54 F55 S662 G663 R664Y39-E51 PolarHBondContact OH-N 3.36Å; E51-L53 PolarHBondContact O-N 3.37Å; E51-A54 HydrophobicContact CB-CB 4.09Å; E51-A54 PolarHBondContact O-N 2.87Å; E51-F55 PolarHBondContact O-N 3Å; E51-S662 VanDerWaalsContact OE2-CA 3.29Å; E51-S662 WeakPolarHBondContact OE2-CA 3.26Å; E51-S662 VanDerWaalsContact OE2-CB 3.23Å; E51-S662 WeakPolarHBondContact OE2-CB 2.87Å; E51-S662 PolarHBondContact OE2-OG 3.15Å; E51-G663 PolarHBondContact OE1-N 2.94Å; E51-R664 WeakPolarHBondContact OE1-CB 3.25Å; E51-R664 PolarHBondContact OE1-N 3.18Å
52Y97.4Very high93.4Very high0 Ų021.1 Ų21.10%013%0.128CC..Hα-helixtrans-71.6-27.3-166.2-62.3-62.7000114.7G49 K56 P122 R123 L124 V128 Q614 F660 A661G49-Y52 PolarHBondContact O-OH 2.85Å; Y52-K56 WeakPolarHBondContact O-CB 3.26Å; Y52-K56 PolarHBondContact O-N 2.91Å; Y52-P122 HydrophobicContact CE1-CB 3.97Å; Y52-P122 WeakPolarHBondContact OH-CB 3.29Å; Y52-R123 PolarHBondContact OH-N 2.87Å; Y52-L124 HydrophobicContact CE1-CB 3.93Å; Y52-L124 HydrophobicContact CE2-CB 4.17Å; Y52-L124 HydrophobicContact CE2-CD1 4.24Å; Y52-L124 WeakPolarHBondContact OH-CB 3.39Å; Y52-L124 PolarHBondContact OH-N 3.38Å; Y52-V128 HydrophobicContact CD1-CB 4.16Å; Y52-V128 HydrophobicContact CD1-CG1 4.4Å; Y52-V128 HydrophobicContact CD1-CG2 3.69Å; Y52-V128 HydrophobicContact CE1-CG2 4.3Å; Y52-V128 HydrophobicContact CG-CG2 3.88Å; Y52-Q614 PolarHBondContact OH-OE1 3.43Å; Y52-F660 HydrophobicContact CD2-CB 3.53Å; Y52-F660 VanDerWaalsContact CD2-O 3.26Å; Y52-F660 WeakPolarHBondContact CD2-O 3.3Å; Y52-F660 HydrophobicContact CE2-CB 3.79Å; Y52-A661 PolarHBondContact N-O 2.92Å
53L96.2Very high93.6Very high3 Ų320.6 Ų20.62%0.01612%0.121CC..Hα-helixtrans-70.5-37.4172.5-174.364.9000111.5E51 K56 G57 M556 V576 I579 R580 L583 W657 A661E51-L53 PolarHBondContact O-N 3.37Å; L53-K56 PolarHBondContact O-N 3.19Å; L53-G57 PolarHBondContact O-N 2.9Å; L53-G57 VanDerWaalsContact O-N 3.08Å; L53-M556 HydrophobicContact CD1-CE 4.33Å; L53-M556 HydrophobicContact CD2-CE 4.23Å; L53-M556 HydrophobicContact CD2-SD 4.28Å; L53-V576 HydrophobicContact CD1-CG1 3.87Å; L53-V576 HydrophobicContact CG-CG1 4.4Å; L53-I579 HydrophobicContact CD2-CB 4.36Å; L53-I579 HydrophobicContact CD2-CG2 3.95Å; L53-R580 HydrophobicContact CD2-CB 4Å; L53-R580 HydrophobicContact CG-CB 4.3Å; L53-L583 HydrophobicContact CD2-CD1 3.86Å; L53-W657 HydrophobicContact CD1-CE3 3.93Å; L53-W657 HydrophobicContact CD1-CZ3 4.02Å; L53-A661 HydrophobicContact CB-CB 4.09Å; L53-A661 WeakPolarHBondContact CB-O 3.23Å; L53-A661 PolarHBondContact N-O 3.21Å
54A95.8Very high93.9Very high13 Ų1323.1 Ų23.111%0.10712%0.116CC..Hα-helixtrans-67.1-43.6174.400000111.2F44 E51 K56 G57 Y58F44-A54 HydrophobicContact CD1-CB 4.17Å; F44-A54 HydrophobicContact CE1-CB 3.67Å; F44-A54 HydrophobicContact CZ-CB 4.01Å; F44-A54 WeakPolarHBondContact CZ-O 3.41Å; E51-A54 HydrophobicContact CB-CB 4.09Å; E51-A54 PolarHBondContact O-N 2.87Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 3.14Å; A54-G57 PolarHBondContact O-N 2.93Å; A54-Y58 PolarHBondContact O-N 2.91Å
55F96.5Very high94.2Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-57.5-44.2172.9179-115.2000112A35 C38 Y39 F44 E51 G57 Y58 V59 V128 L129 I132A35-F55 HydrophobicContact CB-CZ 4.47Å; C38-F55 HydrophobicContact CB-CD2 4.46Å; C38-F55 HydrophobicContact CB-CE2 3.76Å; Y39-F55 HydrophobicContact CD2-CB 4.33Å; Y39-F55 AromaticContact CD2-CD2 3.4Å; Y39-F55 HydrophobicContact CD2-CD2 3.4Å; Y39-F55 VanDerWaalsContact CD2-CD2 3.4Å; Y39-F55 AromaticContact CD2-CE2 3.74Å; Y39-F55 HydrophobicContact CD2-CE2 3.74Å; Y39-F55 AromaticContact CD2-CG 3.86Å; Y39-F55 HydrophobicContact CD2-CG 3.86Å; Y39-F55 HydrophobicContact CD2-CZ 4.44Å; Y39-F55 HydrophobicContact CE2-CB 3.76Å; Y39-F55 HydrophobicContact CE2-CD1 4.23Å; Y39-F55 AromaticContact CE2-CD2 3.71Å; Y39-F55 HydrophobicContact CE2-CD2 3.71Å; Y39-F55 HydrophobicContact CE2-CE2 4.34Å; Y39-F55 AromaticContact CE2-CG 3.64Å; Y39-F55 HydrophobicContact CE2-CG 3.64Å; Y39-F55 HydrophobicContact CG-CD2 4.35Å; F44-F55 HydrophobicContact CD2-CB 4.48Å; F44-F55 HydrophobicContact CE2-CB 4.06Å; F44-F55 HydrophobicContact CE2-CD2 4.22Å; E51-F55 PolarHBondContact O-N 3Å; F55-G57 PolarHBondContact O-N 3.12Å; F55-Y58 PolarHBondContact O-N 3.21Å; F55-V59 HydrophobicContact CD2-CG2 4.19Å; F55-V59 HydrophobicContact CE1-CG2 4.2Å; F55-V59 HydrophobicContact CE2-CG2 3.8Å; F55-V59 HydrophobicContact CZ-CG2 3.81Å; F55-V59 WeakPolarHBondContact O-CG2 3.5Å; F55-V59 PolarHBondContact O-N 3.24Å; F55-V128 HydrophobicContact CD1-CB 4.35Å; F55-V128 HydrophobicContact CD1-CG1 3.72Å; F55-V128 HydrophobicContact CE1-CB 4.45Å; F55-V128 HydrophobicContact CE1-CG1 4.12Å; F55-L129 HydrophobicContact CE1-CB 4.27Å; F55-L129 HydrophobicContact CZ-CB 4.43Å; F55-I132 HydrophobicContact CD1-CD1 4.17Å; F55-I132 HydrophobicContact CE1-CD1 4.2Å
56K95.8Very high94.7Very high6 Ų619.7 Ų19.73%0.02610%0.103CC..Hα-helixtrans-56.6-49.8173.8172.5170.7-175.866.40113Y52 L53 A54 Y58 V59 H60 I132 E135 W657Y52-K56 WeakPolarHBondContact O-CB 3.26Å; Y52-K56 PolarHBondContact O-N 2.91Å; L53-K56 PolarHBondContact O-N 3.19Å; A54-K56 VanDerWaalsContact C-N 3.32Å; A54-K56 PolarHBondContact O-N 3.14Å; K56-Y58 VanDerWaalsContact C-N 3.28Å; K56-Y58 PolarHBondContact O-N 2.91Å; K56-V59 PolarHBondContact O-N 3.32Å; K56-H60 PolarHBondContact NZ-NE2 3.28Å; K56-H60 PolarHBondContact O-CD2 2.84Å; K56-H60 PolarHBondContact O-N 3.29Å; K56-I132 HydrophobicContact CB-CD1 3.91Å; K56-I132 HydrophobicContact CB-CG1 4.11Å; K56-I132 HydrophobicContact CD-CG1 4.47Å; K56-I132 HydrophobicContact CG-CD1 4.31Å; K56-I132 HydrophobicContact CG-CG1 3.99Å; K56-E135 IonicContact NZ-OE2 3.21Å; K56-E135 PolarHBondContact NZ-OE2 2.94Å; K56-W657 HydrophobicContact CD-CD2 3.72Å; K56-W657 HydrophobicContact CD-CE3 3.97Å; K56-W657 HydrophobicContact CD-CG 4.03Å; K56-W657 HydrophobicContact CD-CZ2 4.41Å; K56-W657 HydrophobicContact CD-CZ3 4.42Å
57G94.4Very high95Very high29 Ų2923.5 Ų23.530%0.29913%0.131SC..Hα-helixtrans-59.2-40.3176.900000112.6L53 A54 F55 H60 S61L53-G57 PolarHBondContact O-N 2.9Å; L53-G57 VanDerWaalsContact O-N 3.08Å; A54-G57 PolarHBondContact O-N 2.93Å; F55-G57 PolarHBondContact O-N 3.12Å; G57-H60 PolarHBondContact O-N 3.17Å; G57-S61 PolarHBondContact O-N 3.29Å; G57-S61 VanDerWaalsContact O-N 3.12Å
58Y94.8Very high95.3Very high41 Ų4126 Ų2616%0.16114%0.143CC..Hα-helixtrans-68.6-44.5179.5-170.1-104.4000112.9C38 Q41 A42 F44 A54 F55 K56 H60 S61 F62 L191C38-Y58 HydrophobicContact CB-CD1 3.97Å; C38-Y58 HydrophobicContact CB-CE1 3.99Å; C38-Y58 WeakPolarHBondContact O-CE1 3.29Å; Q41-Y58 WeakPolarHBondContact CG-OH 3.28Å; A42-Y58 HydrophobicContact CB-CD1 3.99Å; A42-Y58 HydrophobicContact CB-CD2 3.94Å; A42-Y58 HydrophobicContact CB-CE1 3.98Å; A42-Y58 HydrophobicContact CB-CE2 3.96Å; A42-Y58 HydrophobicContact CB-CG 3.96Å; F44-Y58 HydrophobicContact CZ-CG 4.26Å; A54-Y58 PolarHBondContact O-N 2.91Å; F55-Y58 PolarHBondContact O-N 3.21Å; K56-Y58 VanDerWaalsContact C-N 3.28Å; K56-Y58 PolarHBondContact O-N 2.91Å; Y58-H60 VanDerWaalsContact C-N 3.33Å; Y58-H60 PolarHBondContact O-N 2.71Å; Y58-S61 WeakPolarHBondContact O-CB 3.49Å; Y58-S61 PolarHBondContact O-N 3.36Å; Y58-S61 VanDerWaalsContact O-N 3.1Å; Y58-S61 PolarHBondContact O-OG 3.22Å; Y58-F62 HydrophobicContact CD1-CD2 4.49Å; Y58-F62 HydrophobicContact CD1-CE2 4.26Å; Y58-F62 HydrophobicContact CE1-CD2 4.21Å; Y58-F62 AromaticContact CE1-CE2 3.55Å; Y58-F62 HydrophobicContact CE1-CE2 3.55Å; Y58-F62 AromaticContact CZ-CE2 3.83Å; Y58-F62 PolarHBondContact O-N 3.15Å; Y58-L191 HydrophobicContact CE2-CD2 3.84Å
59V95.9Very high95.4Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-62.8-41.4175.2174.50000111.1F34 F55 K56 S61 F62 L63 L129 I132F34-V59 HydrophobicContact CE1-CG1 4Å; F34-V59 HydrophobicContact CE1-CG2 4.02Å; F34-V59 HydrophobicContact CZ-CG1 4.25Å; F55-V59 HydrophobicContact CD2-CG2 4.19Å; F55-V59 HydrophobicContact CE1-CG2 4.2Å; F55-V59 HydrophobicContact CE2-CG2 3.8Å; F55-V59 HydrophobicContact CZ-CG2 3.81Å; F55-V59 WeakPolarHBondContact O-CG2 3.5Å; F55-V59 PolarHBondContact O-N 3.24Å; K56-V59 PolarHBondContact O-N 3.32Å; V59-S61 PolarHBondContact O-N 3.07Å; V59-F62 WeakPolarHBondContact O-CB 3.26Å; V59-F62 PolarHBondContact O-N 3.02Å; V59-F62 VanDerWaalsContact O-N 3.12Å; V59-L63 HydrophobicContact CG1-CD1 4.23Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CG 3.35Å; V59-L63 PolarHBondContact O-N 3.14Å; V59-L129 HydrophobicContact CG1-CD1 3.89Å; V59-L129 HydrophobicContact CG2-CD1 4.3Å; V59-I132 HydrophobicContact CB-CD1 4.21Å; V59-I132 HydrophobicContact CB-CG2 4.3Å; V59-I132 HydrophobicContact CG1-CG2 3.79Å; V59-I132 HydrophobicContact CG2-CD1 4.32Å
60H94.9Very high95.5Very high57 Ų5729.8 Ų29.826%0.26416%0.157SC..Hα-helixtrans-59.7-31.3174.7-78.6-50.4000112.8K56 G57 Y58 L63 K64 S136K56-H60 PolarHBondContact NZ-NE2 3.28Å; K56-H60 PolarHBondContact O-CD2 2.84Å; K56-H60 PolarHBondContact O-N 3.29Å; G57-H60 PolarHBondContact O-N 3.17Å; Y58-H60 VanDerWaalsContact C-N 3.33Å; Y58-H60 PolarHBondContact O-N 2.71Å; H60-L63 PolarHBondContact O-N 2.94Å; H60-K64 VanDerWaalsContact O-CB 3.27Å; H60-K64 WeakPolarHBondContact O-CB 3.47Å; H60-K64 PolarHBondContact O-N 3.12Å; H60-S136 PolarHBondContact CE1-OG 3.32Å
61S93.8Very high95.6Very high34 Ų3430 Ų3024%0.23816%0.159CC..Hα-helixtrans-62.8-43174.876.30000112.1G57 Y58 V59 K64 Q65G57-S61 PolarHBondContact O-N 3.29Å; G57-S61 VanDerWaalsContact O-N 3.12Å; Y58-S61 WeakPolarHBondContact O-CB 3.49Å; Y58-S61 PolarHBondContact O-N 3.36Å; Y58-S61 VanDerWaalsContact O-N 3.1Å; Y58-S61 PolarHBondContact O-OG 3.22Å; V59-S61 PolarHBondContact O-N 3.07Å; S61-K64 PolarHBondContact O-N 3.01Å; S61-Q65 WeakPolarHBondContact O-CG 3.28Å; S61-Q65 PolarHBondContact O-N 3.34Å; S61-Q65 VanDerWaalsContact O-N 3.13Å
62F94.3Very high95.7Very high6 Ų634.4 Ų34.43%0.02618%0.179CC..Hα-helixtrans-61.7-50172.1-84.4-79.7000112.4F34 Y58 V59 K64 Q65 F66 F186 I189 L191F34-F62 HydrophobicContact CE2-CG 4.47Å; F34-F62 HydrophobicContact CZ-CB 4.4Å; F34-F62 HydrophobicContact CZ-CD2 4.44Å; F34-F62 HydrophobicContact CZ-CG 4.46Å; Y58-F62 HydrophobicContact CD1-CD2 4.49Å; Y58-F62 HydrophobicContact CD1-CE2 4.26Å; Y58-F62 HydrophobicContact CE1-CD2 4.21Å; Y58-F62 AromaticContact CE1-CE2 3.55Å; Y58-F62 HydrophobicContact CE1-CE2 3.55Å; Y58-F62 AromaticContact CZ-CE2 3.83Å; Y58-F62 PolarHBondContact O-N 3.15Å; V59-F62 WeakPolarHBondContact O-CB 3.26Å; V59-F62 PolarHBondContact O-N 3.02Å; V59-F62 VanDerWaalsContact O-N 3.12Å; F62-K64 PolarHBondContact O-N 3.3Å; F62-Q65 PolarHBondContact O-N 3.12Å; F62-Q65 VanDerWaalsContact O-N 3.08Å; F62-F66 HydrophobicContact CB-CE2 4.24Å; F62-F66 HydrophobicContact CD1-CZ 4.32Å; F62-F66 WeakPolarHBondContact O-CD2 3.3Å; F62-F66 WeakPolarHBondContact O-CG 3.2Å; F62-F66 PolarHBondContact O-N 3.4Å; F62-F186 HydrophobicContact CE1-CE2 4.23Å; F62-F186 HydrophobicContact CE1-CZ 4.19Å; F62-F186 HydrophobicContact CZ-CZ 4.14Å; F62-I189 HydrophobicContact CE1-CG2 4.49Å; F62-L191 HydrophobicContact CD1-CD1 3.74Å; F62-L191 HydrophobicContact CD2-CD1 3.54Å; F62-L191 HydrophobicContact CE1-CD1 3.68Å; F62-L191 HydrophobicContact CE2-CD1 3.48Å; F62-L191 VanDerWaalsContact CE2-CD1 3.48Å; F62-L191 HydrophobicContact CG-CD1 3.68Å; F62-L191 HydrophobicContact CZ-CD1 3.56Å
63L95.8Very high95.7Very high16 Ų1635 Ų358%0.08418%0.183CC..Hα-helixtrans-59.6-37.5-179.7-63.4-178.6000111.9V59 H60 F66 S67 P73 F75 I132 L133 V138V59-L63 HydrophobicContact CG1-CD1 4.23Å; V59-L63 HydrophobicContact CG1-CG 4.34Å; V59-L63 WeakPolarHBondContact O-CG 3.35Å; V59-L63 PolarHBondContact O-N 3.14Å; H60-L63 PolarHBondContact O-N 2.94Å; L63-F66 HydrophobicContact CD2-CD2 4.27Å; L63-F66 PolarHBondContact O-N 3.43Å; L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.05Å; L63-P73 HydrophobicContact CD2-CG 4.1Å; L63-F75 HydrophobicContact CD2-CE2 4.1Å; L63-F75 HydrophobicContact CD2-CZ 4.36Å; L63-I132 HydrophobicContact CD1-CG2 4.22Å; L63-L133 HydrophobicContact CD1-CD2 4.46Å; L63-L133 HydrophobicContact CD2-CD2 4.49Å; L63-V138 HydrophobicContact CD1-CG2 4.1Å; L63-V138 HydrophobicContact CD2-CG2 4.03Å
64K94.8Very high95.8Very high138 Ų13834.9 Ų34.960%0.618%0.182SC*.Hα-helixtrans-62.7-45.9174.1-176.6-177.6178.8-179.30111.5H60 S61 F62 S67 I68H60-K64 VanDerWaalsContact O-CB 3.27Å; H60-K64 WeakPolarHBondContact O-CB 3.47Å; H60-K64 PolarHBondContact O-N 3.12Å; S61-K64 PolarHBondContact O-N 3.01Å; F62-K64 PolarHBondContact O-N 3.3Å; K64-S67 WeakPolarHBondContact O-CB 3.45Å; K64-S67 PolarHBondContact O-N 3.47Å; K64-I68 HydrophobicContact CG-CD1 4.03Å; K64-I68 WeakPolarHBondContact O-CG1 3.32Å; K64-I68 PolarHBondContact O-N 3.05Å
65Q95.8Very high96Very high27 Ų2734.2 Ų34.213%0.12618%0.177CC..Hα-helixtrans-65-41177.4-62-48.4-35.300112.6S61 F62 S67 I68 C69 L191 C193 I213S61-Q65 WeakPolarHBondContact O-CG 3.28Å; S61-Q65 PolarHBondContact O-N 3.34Å; S61-Q65 VanDerWaalsContact O-N 3.13Å; F62-Q65 PolarHBondContact O-N 3.12Å; F62-Q65 VanDerWaalsContact O-N 3.08Å; Q65-S67 VanDerWaalsContact C-N 3.31Å; Q65-S67 PolarHBondContact O-N 2.96Å; Q65-I68 PolarHBondContact O-N 3.44Å; Q65-C69 WeakPolarHBondContact O-CB 3.3Å; Q65-C69 PolarHBondContact O-N 2.95Å; Q65-C69 PolarHBondContact O-SG 3.35Å; Q65-C69 VanDerWaalsContact O-SG 3.37Å; Q65-L191 WeakPolarHBondContact CG-O 3.48Å; Q65-C193 PolarHBondContact OE1-SG 2.89Å; Q65-I213 HydrophobicContact CB-CD1 4.05Å; Q65-I213 HydrophobicContact CB-CG1 4.46Å
66F97.2Very high96.1Very high1 Ų134.2 Ų34.20%0.00418%0.177CC..Hα-helixtrans-57.1-48.3173.6-67.6-35000110.4L22 L27 I29 F62 L63 I68 C69 R70 V71 P73 I189 I213L22-F66 HydrophobicContact CD2-CD1 4.5Å; L22-F66 HydrophobicContact CD2-CE1 4.1Å; L27-F66 HydrophobicContact CD2-CE1 3.97Å; L27-F66 HydrophobicContact CD2-CZ 4Å; I29-F66 HydrophobicContact CD1-CE2 4.09Å; I29-F66 HydrophobicContact CD1-CZ 4.41Å; F62-F66 HydrophobicContact CB-CE2 4.24Å; F62-F66 HydrophobicContact CD1-CZ 4.32Å; F62-F66 WeakPolarHBondContact O-CD2 3.3Å; F62-F66 WeakPolarHBondContact O-CG 3.2Å; F62-F66 PolarHBondContact O-N 3.4Å; L63-F66 HydrophobicContact CD2-CD2 4.27Å; L63-F66 PolarHBondContact O-N 3.43Å; F66-I68 PolarHBondContact O-N 3.34Å; F66-C69 CarbonylContact O-C 3.49Å; F66-C69 PolarHBondContact O-N 3.32Å; F66-R70 PolarHBondContact O-N 2.97Å; F66-V71 HydrophobicContact CB-CB 3.93Å; F66-V71 HydrophobicContact CB-CG1 4.36Å; F66-V71 HydrophobicContact CD1-CB 3.97Å; F66-V71 HydrophobicContact CD1-CG1 3.85Å; F66-V71 HydrophobicContact CD1-CG2 4.43Å; F66-V71 HydrophobicContact CE1-CG1 4.49Å; F66-V71 HydrophobicContact CG-CB 4.28Å; F66-V71 HydrophobicContact CG-CG1 4.25Å; F66-V71 PolarHBondContact O-N 3.35Å; F66-P73 HydrophobicContact CB-CG 4.41Å; F66-P73 HydrophobicContact CD2-CB 3.97Å; F66-P73 HydrophobicContact CD2-CG 3.91Å; F66-P73 HydrophobicContact CE2-CB 4.26Å; F66-P73 HydrophobicContact CG-CG 4.47Å; F66-I189 HydrophobicContact CE1-CG2 4.4Å; F66-I213 HydrophobicContact CD1-CD1 3.45Å; F66-I213 VanDerWaalsContact CD1-CD1 3.45Å; F66-I213 HydrophobicContact CE1-CD1 3.79Å
67S95.3Very high96.2Very high92 Ų9234 Ų3464%0.64318%0.176SC*.Hα-helixtrans-57.8-48.6175.7-178.80000112.9L63 K64 Q65 C69 R70L63-S67 WeakPolarHBondContact O-CB 3.41Å; L63-S67 PolarHBondContact O-N 3.05Å; K64-S67 WeakPolarHBondContact O-CB 3.45Å; K64-S67 PolarHBondContact O-N 3.47Å; Q65-S67 VanDerWaalsContact C-N 3.31Å; Q65-S67 PolarHBondContact O-N 2.96Å; S67-C69 PolarHBondContact O-N 2.92Å; S67-R70 PolarHBondContact O-N 3.41Å
68I95Very high96.2Very high61 Ų6133.2 Ų33.231%0.31317%0.168SC..Hα-helixtrans-56.9-40.5177.3-69.9165.2000111.3K64 Q65 F66 R70 C193 Y211K64-I68 HydrophobicContact CG-CD1 4.03Å; K64-I68 WeakPolarHBondContact O-CG1 3.32Å; K64-I68 PolarHBondContact O-N 3.05Å; Q65-I68 PolarHBondContact O-N 3.44Å; F66-I68 PolarHBondContact O-N 3.34Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 3.42Å; I68-C193 HydrophobicContact CG2-CB 4.42Å; I68-Y211 HydrophobicContact CG2-CD1 4.36Å; I68-Y211 HydrophobicContact CG2-CD2 3.72Å; I68-Y211 HydrophobicContact CG2-CE2 4.39Å; I68-Y211 HydrophobicContact CG2-CG 3.7Å
69C96.6Very high96.3Very high0 Ų031.7 Ų31.70%017%0.165CC..THydrogen-bonded Turntrans-87.84.7-179.6-59.70000113.7H23 N24 Q65 F66 S67 V71 C193 I213H23-C69 WeakPolarHBondContact CA-O 3.43Å; H23-C69 PolarHBondContact ND1-O 3.42Å; N24-C69 PolarHBondContact N-O 3.37Å; Q65-C69 WeakPolarHBondContact O-CB 3.3Å; Q65-C69 PolarHBondContact O-N 2.95Å; Q65-C69 PolarHBondContact O-SG 3.35Å; Q65-C69 VanDerWaalsContact O-SG 3.37Å; F66-C69 CarbonylContact O-C 3.49Å; F66-C69 PolarHBondContact O-N 3.32Å; S67-C69 PolarHBondContact O-N 2.92Å; C69-V71 HydrophobicContact CB-CG2 3.96Å; C69-V71 PolarHBondContact O-N 3.18Å; C69-C193 WeakPolarHBondContact SG-CB 3.36Å; C69-I213 HydrophobicContact CB-CD1 4.39Å; C69-I213 HydrophobicContact CB-CG1 4.25Å
70R95.2Very high96.4Very high86 Ų8631.8 Ų31.833%0.32517%0.166SC..THydrogen-bonded Turntrans56.533.9-175.8-53.3177.6-174.6-176.1-3.2113.4N24 Q25 F66 S67 I68N24-R70 CarbonylContact C-O 3.54Å; N24-R70 WeakPolarHBondContact CA-O 3.3Å; N24-R70 HydrophobicContact CB-CB 4.23Å; N24-R70 PolarHBondContact N-O 3.29Å; N24-R70 WeakPolarHBondContact OD1-CD 3.42Å; Q25-R70 PolarHBondContact N-O 3.05Å; F66-R70 PolarHBondContact O-N 2.97Å; S67-R70 PolarHBondContact O-N 3.41Å; I68-R70 VanDerWaalsContact C-N 3.3Å; I68-R70 PolarHBondContact O-N 3.42Å
71V97.4Very high96.4Very high6 Ų630.8 Ų30.84%0.03616%0.161CC..EExtended strand (participates in β ladder)trans-86129.7172.3-179.50000107.7L22 Q25 L27 F66 C69 P73L22-V71 HydrophobicContact CD1-CG1 4.24Å; L22-V71 HydrophobicContact CD1-CG2 4.2Å; L22-V71 HydrophobicContact CD2-CG1 4.23Å; L22-V71 HydrophobicContact CD2-CG2 4.19Å; L22-V71 HydrophobicContact CG-CG1 4.26Å; L22-V71 HydrophobicContact CG-CG2 3.68Å; Q25-V71 VanDerWaalsContact O-CA 3.29Å; Q25-V71 WeakPolarHBondContact O-CA 3.44Å; L27-V71 HydrophobicContact CB-CG1 3.74Å; L27-V71 HydrophobicContact CD2-CG1 4.23Å; F66-V71 HydrophobicContact CB-CB 3.93Å; F66-V71 HydrophobicContact CB-CG1 4.36Å; F66-V71 HydrophobicContact CD1-CB 3.97Å; F66-V71 HydrophobicContact CD1-CG1 3.85Å; F66-V71 HydrophobicContact CD1-CG2 4.43Å; F66-V71 HydrophobicContact CE1-CG1 4.49Å; F66-V71 HydrophobicContact CG-CB 4.28Å; F66-V71 HydrophobicContact CG-CG1 4.25Å; F66-V71 PolarHBondContact O-N 3.35Å; C69-V71 HydrophobicContact CB-CG2 3.96Å; C69-V71 PolarHBondContact O-N 3.18Å; V71-P73 WeakPolarHBondContact O-CD 3.1Å
72E96.9Very high96.3Very high106 Ų10630 Ų3050%0.49516%0.156SC..EExtended strand (participates in β ladder)trans-101.692.5178.4-66.4174174.900109Q25 P26 L27Q25-E72 PolarHBondContact O-N 3.08Å; P26-E72 CarbonylContact C-O 3.46Å; P26-E72 VanDerWaalsContact CA-O 3.25Å; P26-E72 WeakPolarHBondContact CA-O 3.43Å; L27-E72 PolarHBondContact N-O 3.41Å
73P98.1Very high96.2Very high12 Ų1231.2 Ų31.28%0.07816%0.161CC..EExtended strand (participates in β ladder)trans-72.5136.8-179.131.2-36.3000111L27 I29 L63 F66 V71 F75 V138L27-P73 CarbonylContact O-C 3.54Å; L27-P73 WeakPolarHBondContact O-CA 3.45Å; I29-P73 HydrophobicContact CD1-CB 3.61Å; L63-P73 HydrophobicContact CD2-CG 4.1Å; F66-P73 HydrophobicContact CB-CG 4.41Å; F66-P73 HydrophobicContact CD2-CB 3.97Å; F66-P73 HydrophobicContact CD2-CG 3.91Å; F66-P73 HydrophobicContact CE2-CB 4.26Å; F66-P73 HydrophobicContact CG-CG 4.47Å; V71-P73 WeakPolarHBondContact O-CD 3.1Å; P73-F75 HydrophobicContact CB-CD2 4.35Å; P73-F75 HydrophobicContact CB-CE2 3.78Å; P73-F75 HydrophobicContact CG-CE2 4.29Å; P73-V138 HydrophobicContact CG-CG1 3.99Å; P73-V138 WeakPolarHBondContact O-CG1 3.45Å
74I98.4Very high96Very high1 Ų135.9 Ų35.91%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-124.7115.4176.4-56.7165.5000107.4P26 L27 I29 I76 P139 L154 L158 L328 F330P26-I74 HydrophobicContact CB-CD1 4.1Å; L27-I74 PolarHBondContact O-N 2.83Å; I29-I74 PolarHBondContact N-O 3.37Å; I74-I76 HydrophobicContact CG2-CD1 3.97Å; I74-P139 HydrophobicContact CG2-CB 4.5Å; I74-L154 HydrophobicContact CG2-CD2 4.24Å; I74-L158 HydrophobicContact CD1-CD1 3.62Å; I74-L328 HydrophobicContact CG2-CD1 3.62Å; I74-L328 HydrophobicContact CG2-CD2 4.4Å; I74-F330 HydrophobicContact CD1-CD2 4.33Å; I74-F330 HydrophobicContact CD1-CE1 4.18Å; I74-F330 HydrophobicContact CD1-CE2 3.47Å; I74-F330 VanDerWaalsContact CD1-CE2 3.47Å; I74-F330 HydrophobicContact CD1-CZ 3.38Å; I74-F330 HydrophobicContact CG1-CE2 3.99Å; I74-F330 HydrophobicContact CG1-CZ 3.83Å
75F98.6Very high95.8Very high0 Ų029.6 Ų29.60%016%0.157CC..EExtended strand (participates in β ladder)trans-97122.5-174.3-76.3-98.7000111.8I29 A31 F34 L63 P73 F77 L133 V138 P139 Y140 I141I29-F75 HydrophobicContact CB-CD1 4.04Å; I29-F75 HydrophobicContact CB-CE1 4.16Å; I29-F75 HydrophobicContact CB-CG 4.36Å; I29-F75 HydrophobicContact CD1-CD2 4.37Å; I29-F75 HydrophobicContact CD1-CE1 4Å; I29-F75 HydrophobicContact CD1-CE2 3.81Å; I29-F75 HydrophobicContact CD1-CZ 3.6Å; I29-F75 HydrophobicContact CG2-CD1 3.84Å; I29-F75 HydrophobicContact CG2-CE1 3.69Å; I29-F75 HydrophobicContact CG2-CZ 4.38Å; A31-F75 HydrophobicContact CB-CB 4.04Å; A31-F75 HydrophobicContact CB-CD1 3.87Å; A31-F75 HydrophobicContact CB-CG 4.48Å; F34-F75 HydrophobicContact CB-CE1 4.21Å; F34-F75 AromaticContact CD1-CE1 3.61Å; F34-F75 HydrophobicContact CD1-CE1 3.61Å; F34-F75 HydrophobicContact CD1-CZ 4.34Å; F34-F75 AromaticContact CD2-CE1 3.89Å; F34-F75 HydrophobicContact CD2-CE1 3.89Å; F34-F75 HydrophobicContact CD2-CZ 4.32Å; F34-F75 AromaticContact CE1-CE1 3.85Å; F34-F75 HydrophobicContact CE1-CE1 3.85Å; F34-F75 HydrophobicContact CE1-CZ 4.14Å; F34-F75 HydrophobicContact CE2-CE1 4.13Å; F34-F75 HydrophobicContact CE2-CZ 4.13Å; F34-F75 AromaticContact CG-CE1 3.64Å; F34-F75 HydrophobicContact CG-CE1 3.64Å; F34-F75 HydrophobicContact CG-CZ 4.44Å; F34-F75 HydrophobicContact CZ-CE1 4.12Å; F34-F75 HydrophobicContact CZ-CZ 4.05Å; L63-F75 HydrophobicContact CD2-CE2 4.1Å; L63-F75 HydrophobicContact CD2-CZ 4.36Å; P73-F75 HydrophobicContact CB-CD2 4.35Å; P73-F75 HydrophobicContact CB-CE2 3.78Å; P73-F75 HydrophobicContact CG-CE2 4.29Å; F75-F77 HydrophobicContact CB-CE2 4.18Å; F75-L133 HydrophobicContact CB-CD1 3.71Å; F75-L133 HydrophobicContact CD1-CD1 4.02Å; F75-L133 HydrophobicContact CD1-CD2 4.45Å; F75-L133 HydrophobicContact CD2-CD1 3.95Å; F75-L133 HydrophobicContact CD2-CD2 3.52Å; F75-L133 HydrophobicContact CD2-CG 4.39Å; F75-L133 HydrophobicContact CE1-CD2 4.4Å; F75-L133 HydrophobicContact CE2-CD2 3.44Å; F75-L133 VanDerWaalsContact CE2-CD2 3.44Å; F75-L133 HydrophobicContact CG-CD1 3.63Å; F75-L133 HydrophobicContact CG-CD2 4.03Å; F75-L133 HydrophobicContact CZ-CD2 3.92Å; F75-V138 HydrophobicContact CD2-CG1 3.66Å; F75-V138 HydrophobicContact CE2-CG1 3.83Å; F75-P139 PolarHBondContact N-O 3.07Å; F75-Y140 CarbonylContact O-C 3.55Å; F75-Y140 WeakPolarHBondContact O-CA 3.41Å; F75-Y140 WeakPolarHBondContact O-CB 3.42Å; F75-I141 PolarHBondContact O-N 2.86Å
76I98.4Very high95.3Very high0 Ų030.8 Ų30.80%017%0.168CC..EExtended strand (participates in β ladder)trans-109.2123.6177.6-47.1-58.3000109.2V28 I29 A31 I74 I141 C143 A147 V151 L154 L328V28-I76 HydrophobicContact CG1-CG1 3.78Å; I29-I76 PolarHBondContact O-N 2.83Å; A31-I76 WeakPolarHBondContact CB-O 3.39Å; A31-I76 PolarHBondContact N-O 2.92Å; I74-I76 HydrophobicContact CG2-CD1 3.97Å; I76-I141 WeakPolarHBondContact CA-O 3.4Å; I76-I141 HydrophobicContact CD1-CG2 3.62Å; I76-C143 VanDerWaalsContact CG2-SG 3.55Å; I76-A147 HydrophobicContact CG2-CB 4.07Å; I76-V151 HydrophobicContact CB-CG2 3.7Å; I76-V151 HydrophobicContact CG1-CG2 4.32Å; I76-V151 HydrophobicContact CG2-CG2 3.87Å; I76-L154 HydrophobicContact CD1-CD2 3.52Å; I76-L154 HydrophobicContact CG1-CD2 4Å; I76-L328 HydrophobicContact CD1-CD1 4.08Å
77F98.3Very high94.9Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-103.3149179.4-72.4-93.8000111.4A31 F75 R126 L129 V130 L133 Y140 I141 A142 C143 L395A31-F77 HydrophobicContact CB-CD1 3.59Å; A31-F77 HydrophobicContact CB-CD2 3.64Å; A31-F77 HydrophobicContact CB-CE1 3.53Å; A31-F77 HydrophobicContact CB-CE2 3.59Å; A31-F77 HydrophobicContact CB-CG 3.65Å; A31-F77 HydrophobicContact CB-CZ 3.55Å; F75-F77 HydrophobicContact CB-CE2 4.18Å; F77-R126 HydrophobicContact CD1-CG 4.23Å; F77-R126 HydrophobicContact CE1-CG 4.14Å; F77-L129 HydrophobicContact CE1-CD2 4.04Å; F77-L129 HydrophobicContact CZ-CD2 3.82Å; F77-L129 HydrophobicContact CZ-CG 4Å; F77-V130 HydrophobicContact CE1-CG2 4.01Å; F77-V130 HydrophobicContact CE2-CG2 4.12Å; F77-V130 HydrophobicContact CZ-CG2 3.69Å; F77-L133 HydrophobicContact CE2-CD1 3.82Å; F77-L133 HydrophobicContact CZ-CD1 3.94Å; F77-Y140 HydrophobicContact CD2-CD2 4.31Å; F77-Y140 HydrophobicContact CE2-CD2 4.11Å; F77-Y140 HydrophobicContact CE2-CG 4.28Å; F77-I141 PolarHBondContact N-O 2.99Å; F77-A142 HydrophobicContact CB-CB 4.05Å; F77-A142 CarbonylContact O-C 3.44Å; F77-A142 WeakPolarHBondContact O-CA 3.36Å; F77-C143 PolarHBondContact O-N 2.87Å; F77-L395 HydrophobicContact CB-CD1 3.75Å; F77-L395 HydrophobicContact CD1-CD1 3.8Å; F77-L395 HydrophobicContact CD2-CD1 3.76Å; F77-L395 HydrophobicContact CE1-CD1 4.29Å; F77-L395 HydrophobicContact CE2-CD1 4.26Å; F77-L395 HydrophobicContact CG-CD1 3.5Å; F77-L395 VanDerWaalsContact CG-CD1 3.5Å; F77-L395 HydrophobicContact CZ-CD1 4.49Å
78G95.6Very high94.8Very high13 Ų1329.3 Ų29.313%0.13415%0.151CC..  trans-70.4145.2165.100000112R126G78-R126 PolarHBondContact O-NH2 3.34Å
79G96.8Very high94.5Very high10 Ų1032.2 Ų32.210%0.10317%0.167CC..  trans-90.3-131.9167.400000112.1C143 E144 R145 P399G79-C143 WeakPolarHBondContact CA-O 3.45Å; G79-C143 PolarHBondContact N-O 3.23Å; G79-E144 WeakPolarHBondContact CA-O 3.4Å; G79-R145 WeakPolarHBondContact CA-O 3.2Å; G79-R145 PolarHBondContact N-O 3.21Å; G79-P399 WeakPolarHBondContact O-CB 3.46Å
80C96.8Very high94.1Very high2 Ų233.1 Ų33.11%0.01417%0.173CC..SBendtrans-70.4160.8175.9-670000110.7E144 R145 I380 P399 D403C80-E144 PolarHBondContact N-O 3.02Å; C80-R145 CarbonylContact O-C 3.44Å; C80-R145 WeakPolarHBondContact O-CA 3.31Å; C80-I380 HydrophobicContact CB-CD1 3.86Å; C80-P399 PolarHBondContact SG-O 3.07Å; C80-D403 VanDerWaalsContact CA-OD1 3.24Å; C80-D403 WeakPolarHBondContact CA-OD1 3.41Å; C80-D403 VanDerWaalsContact CB-OD1 3.3Å; C80-D403 WeakPolarHBondContact CB-OD1 3.26Å
81H94.8Very high94Very high35 Ų3530.6 Ų30.616%0.16217%0.165CC..PPolyproline II helixtrans-64.8163.2170.5-67.1106.8000111.4Q83 R145 D403 V407H81-Q83 PolarHBondContact O-N 3.36Å; H81-R145 PolarHBondContact O-NH1 3.44Å; H81-D403 IonicContact CE1-OD2 2.85Å; H81-D403 PolarHBondContact CE1-OD2 3.29Å; H81-D403 VanDerWaalsContact CE1-OD2 3.31Å; H81-D403 IonicContact CG-OD2 3.3Å; H81-D403 PolarHBondContact N-OD1 3.31Å; H81-D403 IonicContact ND1-OD1 2.79Å; H81-D403 IonicContact ND1-OD2 2.83Å; H81-D403 PolarHBondContact ND1-OD2 2.74Å; H81-V407 HydrophobicContact CB-CG1 4.3Å; H81-V407 HydrophobicContact CB-CG2 4Å; H81-V407 WeakPolarHBondContact O-CG2 3.28Å
82P91.8Very high93.8Very high18 Ų1831.5 Ų31.512%0.11717%0.17CC..PPolyproline II helixtrans-53.1138.7177-26.935.6000111.7E84 G85 E146 V407P82-E84 PolarHBondContact O-N 3.42Å; P82-E84 VanDerWaalsContact O-N 3.13Å; P82-G85 PolarHBondContact O-N 2.86Å; P82-E146 WeakPolarHBondContact CD-OE1 3.28Å; P82-E146 VanDerWaalsContact CG-CD 3.44Å; P82-E146 HydrophobicContact CG-CG 3.77Å; P82-V407 WeakPolarHBondContact O-CG1 3.34Å
83Q93.4Very high93.6Very high32 Ų3232 Ų3215%0.1517%0.17CC..THydrogen-bonded Turntrans-55.6-35.2-173-177.9177.4-26.100112.6H81 G85 R408 C455H81-Q83 PolarHBondContact O-N 3.36Å; Q83-G85 PolarHBondContact O-N 3.07Å; Q83-R408 WeakPolarHBondContact O-CB 3.24Å; Q83-R408 VanDerWaalsContact O-CG 3.29Å; Q83-R408 WeakPolarHBondContact O-CG 3.43Å; Q83-R408 PolarHBondContact O-N 3.31Å; Q83-C455 HydrophobicContact CG-CB 4.42Å; Q83-C455 WeakPolarHBondContact CG-SG 3.38Å
84E91Very high93.2Very high114 Ų11433.5 Ų33.553%0.53317%0.174SC..THydrogen-bonded Turntrans-70.2-12-177.4-63.865.4-145.600112.8P82 S86 N409P82-E84 PolarHBondContact O-N 3.42Å; P82-E84 VanDerWaalsContact O-N 3.13Å; E84-S86 PolarHBondContact O-N 3.2Å; E84-N409 PolarHBondContact O-ND2 2.92Å
85G90.6Very high93Very high5 Ų534 Ų345%0.05218%0.177CC..  trans73.118.3-176.400000113.3P82 Q83 K87 L88 R408P82-G85 PolarHBondContact O-N 2.86Å; Q83-G85 PolarHBondContact O-N 3.07Å; G85-K87 PolarHBondContact O-N 3.45Å; G85-K87 VanDerWaalsContact O-N 3.17Å; G85-L88 WeakPolarHBondContact O-CB 3.25Å; G85-L88 PolarHBondContact O-N 3.32Å; G85-R408 WeakPolarHBondContact CA-O 3.44Å
86S85.4Confident92.7Very high52 Ų5238 Ų3836%0.36420%0.196SC..THydrogen-bonded Turntrans-64.3-20.2-174.656.80000113.8E84 M243E84-S86 PolarHBondContact O-N 3.2Å; S86-M243 WeakPolarHBondContact OG-CE 3.33Å
87K88.2Confident92.4Very high48 Ų4841.8 Ų41.821%0.20921%0.214CC..THydrogen-bonded Turntrans-82.6-11.8174.9-169.3140.5165.7-173.60114.5G85 D89 T90 L91 E146G85-K87 PolarHBondContact O-N 3.45Å; G85-K87 VanDerWaalsContact O-N 3.17Å; K87-D89 PolarHBondContact O-N 3.04Å; K87-T90 PolarHBondContact O-N 2.69Å; K87-L91 HydrophobicContact CG-CD1 4.29Å; K87-L91 HydrophobicContact CG-CD2 4.49Å; K87-L91 HydrophobicContact CG-CG 4.05Å; K87-L91 WeakPolarHBondContact O-CG 3.38Å; K87-L91 PolarHBondContact O-N 3.17Å; K87-E146 WeakPolarHBondContact CD-OE1 3.4Å; K87-E146 WeakPolarHBondContact CE-OE1 3.38Å; K87-E146 IonicContact NZ-OE1 2.74Å; K87-E146 PolarHBondContact NZ-OE1 2.91Å
88L92.9Very high92.2Very high14 Ų1444 Ų447%0.07322%0.223CC..Hα-helixtrans-57.1-48.6-172.317760.9000112.2G85 T90 L91 L92 N409 Y465G85-L88 WeakPolarHBondContact O-CB 3.25Å; G85-L88 PolarHBondContact O-N 3.32Å; L88-T90 VanDerWaalsContact C-N 3.26Å; L88-T90 PolarHBondContact O-N 3.2Å; L88-L91 CarbonylContact O-C 3.53Å; L88-L91 WeakPolarHBondContact O-CA 3.24Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 2.83Å; L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CD2 4.15Å; L88-L92 HydrophobicContact CD1-CG 3.96Å; L88-L92 HydrophobicContact CG-CD1 3.96Å; L88-L92 HydrophobicContact CG-CG 4.17Å; L88-L92 WeakPolarHBondContact O-CG 3.11Å; L88-L92 PolarHBondContact O-N 2.88Å; L88-N409 HydrophobicContact CD2-CB 3.69Å; L88-Y465 HydrophobicContact CD1-CD2 4Å; L88-Y465 HydrophobicContact CD1-CE2 3.9Å; L88-Y465 HydrophobicContact CD2-CE2 3.62Å; L88-Y465 HydrophobicContact CG-CE2 4.29Å
89D89.7Confident92.1Very high123 Ų12344.4 Ų44.466%0.65822%0.221SC*.Hα-helixtrans-58-40.6-178.8-72.6-17.9000112.2K87 L92 K93K87-D89 PolarHBondContact O-N 3.04Å; D89-L92 PolarHBondContact O-N 2.87Å; D89-K93 WeakPolarHBondContact O-CB 3.38Å; D89-K93 PolarHBondContact O-N 3.01Å
90T88.3Confident91.8Very high19 Ų1948.4 Ų48.412%0.11724%0.24CC..Hα-helixtrans-65.9-39.5175.4-78.50000111.8K87 L88 R94 D242K87-T90 PolarHBondContact O-N 2.69Å; L88-T90 VanDerWaalsContact C-N 3.26Å; L88-T90 PolarHBondContact O-N 3.2Å; T90-R94 WeakPolarHBondContact O-CB 3.34Å; T90-R94 VanDerWaalsContact O-CG 3.23Å; T90-R94 WeakPolarHBondContact O-CG 3.14Å; T90-R94 PolarHBondContact O-N 3.24Å; T90-D242 HydrophobicContact CG2-CB 4.47Å; T90-D242 PolarHBondContact OG1-O 3.17Å
91L92.6Very high91.5Very high33 Ų3353 Ų5317%0.17326%0.26CS..Hα-helixtrans-66.2-42.8174.6-64173.1000111.9K87 L88 R94 N95 I412K87-L91 HydrophobicContact CG-CD1 4.29Å; K87-L91 HydrophobicContact CG-CD2 4.49Å; K87-L91 HydrophobicContact CG-CG 4.05Å; K87-L91 WeakPolarHBondContact O-CG 3.38Å; K87-L91 PolarHBondContact O-N 3.17Å; L88-L91 CarbonylContact O-C 3.53Å; L88-L91 WeakPolarHBondContact O-CA 3.24Å; L88-L91 WeakPolarHBondContact O-CB 3.32Å; L88-L91 PolarHBondContact O-N 2.83Å; L91-R94 PolarHBondContact O-N 3.15Å; L91-N95 WeakPolarHBondContact O-CB 3.44Å; L91-N95 PolarHBondContact O-N 3.19Å; L91-N95 PolarHBondContact O-ND2 3.46Å; L91-I412 HydrophobicContact CB-CG2 3.59Å
92L94Very high91.4Very high24 Ų2451.3 Ų51.313%0.12625%0.252CS..Hα-helixtrans-61.3-48.1176.8-64.2174.1000110.6L88 D89 R94 N95 M96 I412 Y465 L473L88-L92 HydrophobicContact CD1-CD1 4.21Å; L88-L92 HydrophobicContact CD1-CD2 4.15Å; L88-L92 HydrophobicContact CD1-CG 3.96Å; L88-L92 HydrophobicContact CG-CD1 3.96Å; L88-L92 HydrophobicContact CG-CG 4.17Å; L88-L92 WeakPolarHBondContact O-CG 3.11Å; L88-L92 PolarHBondContact O-N 2.88Å; D89-L92 PolarHBondContact O-N 2.87Å; L92-R94 PolarHBondContact O-N 3.37Å; L92-N95 PolarHBondContact O-N 3.27Å; L92-M96 WeakPolarHBondContact O-CG 3.32Å; L92-M96 PolarHBondContact O-N 3.32Å; L92-I412 HydrophobicContact CD2-CB 4.07Å; L92-I412 HydrophobicContact CD2-CD1 3.83Å; L92-I412 HydrophobicContact CD2-CG2 4.03Å; L92-Y465 HydrophobicContact CD2-CD1 4Å; L92-Y465 HydrophobicContact CD2-CD2 4.07Å; L92-Y465 HydrophobicContact CD2-CG 3.69Å; L92-L473 HydrophobicContact CB-CD1 3.9Å; L92-L473 HydrophobicContact CD2-CD1 3.56Å; L92-L473 HydrophobicContact CG-CD1 4.29Å
93K91.6Very high91.4Very high116 Ų11651.3 Ų51.350%0.50425%0.253SS..Hα-helixtrans-58.7-48.2176.7-177.3179.9176.5-178.80112.4D89 N95 M96 E97D89-K93 WeakPolarHBondContact O-CB 3.38Å; D89-K93 PolarHBondContact O-N 3.01Å; K93-N95 VanDerWaalsContact C-N 3.3Å; K93-N95 PolarHBondContact O-N 3.1Å; K93-M96 PolarHBondContact O-N 3.41Å; K93-E97 VanDerWaalsContact CE-OE1 3.31Å; K93-E97 WeakPolarHBondContact CE-OE1 3.47Å; K93-E97 WeakPolarHBondContact O-CG 3.18Å; K93-E97 PolarHBondContact O-N 2.93Å
94R91Very high91.2Very high44 Ų4452.6 Ų52.617%0.16627%0.265CS..Hα-helixtrans-61.8-38.5178.4-74.4172.2-175.9172.14.4112M1 T90 L91 L92 E97 Y98 D242M1-R94 PolarHBondContact SD-NH1 3.22Å; M1-R94 PolarHBondContact SD-NH2 2.98Å; M1-R94 VanDerWaalsContact SD-NH2 3.44Å; T90-R94 WeakPolarHBondContact O-CB 3.34Å; T90-R94 VanDerWaalsContact O-CG 3.23Å; T90-R94 WeakPolarHBondContact O-CG 3.14Å; T90-R94 PolarHBondContact O-N 3.24Å; L91-R94 PolarHBondContact O-N 3.15Å; L92-R94 PolarHBondContact O-N 3.37Å; R94-E97 PolarHBondContact O-N 3.46Å; R94-Y98 HydrophobicContact CB-CE2 4.4Å; R94-Y98 VanDerWaalsContact O-CD2 3.23Å; R94-Y98 WeakPolarHBondContact O-CD2 3.46Å; R94-Y98 VanDerWaalsContact O-CG 3.23Å; R94-Y98 PolarHBondContact O-N 3.4Å; R94-D242 VanDerWaalsContact NH2-CG 3.33Å; R94-D242 IonicContact NH2-OD1 2.78Å; R94-D242 PolarHBondContact NH2-OD1 2.64Å; R94-D242 IonicContact NH2-OD2 2.85Å; R94-D242 PolarHBondContact NH2-OD2 3.26Å
95N93.4Very high91Very high11 Ų1148 Ų486%0.05925%0.247CC..Hα-helixtrans-63.3-43.1175-87.1-81.4000112.2L91 L92 K93 Y98 F99 I412 N413 L415L91-N95 WeakPolarHBondContact O-CB 3.44Å; L91-N95 PolarHBondContact O-N 3.19Å; L91-N95 PolarHBondContact O-ND2 3.46Å; L92-N95 PolarHBondContact O-N 3.27Å; K93-N95 VanDerWaalsContact C-N 3.3Å; K93-N95 PolarHBondContact O-N 3.1Å; N95-Y98 PolarHBondContact O-N 2.97Å; N95-F99 WeakPolarHBondContact O-CB 3.31Å; N95-F99 PolarHBondContact O-N 2.92Å; N95-I412 HydrophobicContact CB-CD1 3.66Å; N95-I412 HydrophobicContact CB-CG1 4.49Å; N95-N413 PolarHBondContact OD1-O 3.5Å; N95-L415 VanDerWaalsContact OD1-CB 3.26Å; N95-L415 WeakPolarHBondContact OD1-CB 3.36Å; N95-L415 PolarHBondContact OD1-N 3.48Å
96M93.2Very high90.8Very high84 Ų8449.1 Ų49.141%0.41425%0.251SS..Hα-helixtrans-62.5-44.4174.5-67.6-175.2-66.100111.5L92 K93 Y98 F99 D100 L473L92-M96 WeakPolarHBondContact O-CG 3.32Å; L92-M96 PolarHBondContact O-N 3.32Å; K93-M96 PolarHBondContact O-N 3.41Å; M96-Y98 VanDerWaalsContact C-N 3.31Å; M96-Y98 PolarHBondContact O-N 3.01Å; M96-F99 WeakPolarHBondContact O-CB 3.42Å; M96-F99 PolarHBondContact O-N 3.47Å; M96-D100 PolarHBondContact O-N 2.9Å; M96-L473 HydrophobicContact CG-CD1 4.05Å; M96-L473 HydrophobicContact CG-CG 4.46Å; M96-L473 HydrophobicContact SD-CD1 4.48Å
97E92.4Very high90.6Very high81 Ų8153.8 Ų53.838%0.37927%0.265SS..Hα-helixtrans-60.8-38.9175.8-70.8175.7-175.500112.4K93 R94 K101K93-E97 VanDerWaalsContact CE-OE1 3.31Å; K93-E97 WeakPolarHBondContact CE-OE1 3.47Å; K93-E97 WeakPolarHBondContact O-CG 3.18Å; K93-E97 PolarHBondContact O-N 2.93Å; R94-E97 PolarHBondContact O-N 3.46Å; E97-K101 WeakPolarHBondContact O-CB 3.38Å; E97-K101 VanDerWaalsContact O-CG 3.23Å; E97-K101 WeakPolarHBondContact O-CG 3.28Å; E97-K101 PolarHBondContact O-N 2.88Å
98Y92.7Very high89.8Confident47 Ų4758.4 Ų58.418%0.18429%0.285CS..Hα-helixtrans-68.9-39.5174.9-64.5-35000112.3R94 N95 M96 K101 L102 I120 R414R94-Y98 HydrophobicContact CB-CE2 4.4Å; R94-Y98 VanDerWaalsContact O-CD2 3.23Å; R94-Y98 WeakPolarHBondContact O-CD2 3.46Å; R94-Y98 VanDerWaalsContact O-CG 3.23Å; R94-Y98 PolarHBondContact O-N 3.4Å; N95-Y98 PolarHBondContact O-N 2.97Å; M96-Y98 VanDerWaalsContact C-N 3.31Å; M96-Y98 PolarHBondContact O-N 3.01Å; Y98-K101 HydrophobicContact CD1-CD 4.42Å; Y98-K101 PolarHBondContact O-N 3.32Å; Y98-L102 VanDerWaalsContact O-CB 3.29Å; Y98-L102 WeakPolarHBondContact O-CB 3.09Å; Y98-L102 PolarHBondContact O-N 3.09Å; Y98-I120 HydrophobicContact CD1-CD1 4.33Å; Y98-I120 HydrophobicContact CD1-CG1 3.82Å; Y98-I120 HydrophobicContact CE1-CG1 4.28Å; Y98-I120 HydrophobicContact CG-CD1 4.37Å; Y98-I120 HydrophobicContact CG-CG1 4.25Å; Y98-R414 HydrophobicContact CE2-CG 4.38Å
99F93.2Very high88.2Confident20 Ų2060.1 Ų60.19%0.08829%0.293CS..Hα-helixtrans-58.8-48173.5176.6-93.8000111.3N95 M96 K101 L102 S103 L415 I420 R467 G471N95-F99 WeakPolarHBondContact O-CB 3.31Å; N95-F99 PolarHBondContact O-N 2.92Å; M96-F99 WeakPolarHBondContact O-CB 3.42Å; M96-F99 PolarHBondContact O-N 3.47Å; F99-K101 PolarHBondContact O-N 3.24Å; F99-L102 PolarHBondContact O-N 3.32Å; F99-S103 VanDerWaalsContact O-CB 3.26Å; F99-S103 WeakPolarHBondContact O-CB 3.24Å; F99-S103 PolarHBondContact O-N 3.09Å; F99-L415 HydrophobicContact CB-CD1 4.04Å; F99-L415 HydrophobicContact CD2-CD1 4.45Å; F99-I420 HydrophobicContact CD2-CB 4.14Å; F99-I420 HydrophobicContact CD2-CD1 4.19Å; F99-I420 HydrophobicContact CD2-CG2 4.02Å; F99-I420 HydrophobicContact CE2-CB 3.85Å; F99-I420 HydrophobicContact CE2-CD1 3.92Å; F99-I420 HydrophobicContact CE2-CG1 4.41Å; F99-I420 HydrophobicContact CE2-CG2 4.25Å; F99-I420 HydrophobicContact CZ-CD1 4.4Å; F99-R467 HydrophobicContact CD2-CG 4.4Å; F99-G471 VanDerWaalsContact CE1-CA 3.43Å; F99-G471 VanDerWaalsContact CZ-CA 3.41Å; F99-G471 VanDerWaalsContact CZ-N 3.32Å
100D91.8Very high86.3Confident95 Ų9559.3 Ų59.351%0.50830%0.297SS..Hα-helixtrans-63.3-42.4-179.9-71.5-22.6000112M96 S104M96-D100 PolarHBondContact O-N 2.9Å; D100-S104 VanDerWaalsContact O-CB 3.32Å; D100-S104 WeakPolarHBondContact O-CB 3.33Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 2.48Å
101K90.6Very high84.2Confident97 Ų9762.8 Ų62.842%0.42232%0.318SS..Hα-helixtrans-59.6-48.5174.6-75.8171.6-173.61760111.3E97 Y98 F99 S104 A105E97-K101 WeakPolarHBondContact O-CB 3.38Å; E97-K101 VanDerWaalsContact O-CG 3.23Å; E97-K101 WeakPolarHBondContact O-CG 3.28Å; E97-K101 PolarHBondContact O-N 2.88Å; Y98-K101 HydrophobicContact CD1-CD 4.42Å; Y98-K101 PolarHBondContact O-N 3.32Å; F99-K101 PolarHBondContact O-N 3.24Å; K101-S104 PolarHBondContact O-N 3.35Å; K101-A105 WeakPolarHBondContact O-CB 3.45Å; K101-A105 PolarHBondContact O-N 3.1Å
102L91.7Very high81.9Confident0 Ų072 Ų720%035%0.352CS..Hα-helixtrans-68.2-42.9-178.7-175.455.2000111.6Y98 F99 S104 A105 L106 I118 L415 M417 E418 I420Y98-L102 VanDerWaalsContact O-CB 3.29Å; Y98-L102 WeakPolarHBondContact O-CB 3.09Å; Y98-L102 PolarHBondContact O-N 3.09Å; F99-L102 PolarHBondContact O-N 3.32Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 2.82Å; L102-A105 PolarHBondContact O-N 3.43Å; L102-L106 HydrophobicContact CD1-CD1 3.85Å; L102-L106 HydrophobicContact CD1-CD2 4.42Å; L102-L106 HydrophobicContact CD1-CG 3.92Å; L102-L106 HydrophobicContact CG-CD1 3.9Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.24Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.28Å; L102-L106 PolarHBondContact O-N 2.99Å; L102-I118 HydrophobicContact CD1-CD1 3.86Å; L102-L415 HydrophobicContact CD2-CD2 4.07Å; L102-M417 HydrophobicContact CD1-CE 3.63Å; L102-M417 HydrophobicContact CD1-SD 4.02Å; L102-E418 WeakPolarHBondContact CD2-O 3.23Å; L102-I420 HydrophobicContact CB-CD1 4.5Å; L102-I420 HydrophobicContact CD2-CG2 3.62Å; L102-I420 HydrophobicContact CG-CD1 4.28Å; L102-I420 HydrophobicContact CG-CG2 4.28Å
103S91.1Very high79.9Confident19 Ų1974.1 Ų74.113%0.13337%0.37CS..Hα-helixtrans-59.8-43.9175.6-1700000112.1F99 K107 I420F99-S103 VanDerWaalsContact O-CB 3.26Å; F99-S103 WeakPolarHBondContact O-CB 3.24Å; F99-S103 PolarHBondContact O-N 3.09Å; S103-K107 WeakPolarHBondContact O-CD 2.77Å; S103-K107 VanDerWaalsContact O-CG 3.24Å; S103-K107 WeakPolarHBondContact O-CG 3.48Å; S103-K107 PolarHBondContact O-N 3.44Å; S103-K107 PolarHBondContact OG-NZ 3.13Å; S103-I420 VanDerWaalsContact CA-CD1 3.49Å
104S89.2Confident78.3Confident58 Ų5873.1 Ų73.141%0.40637%0.366SS..Hα-helixtrans-61.5-51.8174.9-58.50000110.3D100 K101 L102 L106 K107 F108D100-S104 VanDerWaalsContact O-CB 3.32Å; D100-S104 WeakPolarHBondContact O-CB 3.33Å; D100-S104 PolarHBondContact O-N 2.93Å; D100-S104 PolarHBondContact O-OG 2.48Å; K101-S104 PolarHBondContact O-N 3.35Å; L102-S104 VanDerWaalsContact C-N 3.34Å; L102-S104 PolarHBondContact O-N 2.82Å; S104-L106 PolarHBondContact O-N 2.96Å; S104-K107 PolarHBondContact O-N 3.37Å; S104-F108 WeakPolarHBondContact O-CD2 3.29Å; S104-F108 PolarHBondContact O-N 2.84Å
105A87Confident77.1Confident19 Ų1978.3 Ų78.316%0.15739%0.39CS..Hα-helixtrans-61.7-41.6-176.100000113.4K101 L102 F108 E109 L116 I118K101-A105 WeakPolarHBondContact O-CB 3.45Å; K101-A105 PolarHBondContact O-N 3.1Å; L102-A105 PolarHBondContact O-N 3.43Å; A105-F108 PolarHBondContact O-N 3.34Å; A105-E109 PolarHBondContact O-N 3.24Å; A105-L116 HydrophobicContact CB-CD2 4.07Å; A105-I118 HydrophobicContact CB-CD1 3.54Å; A105-I118 HydrophobicContact CB-CG1 3.83Å
106L86.5Confident76.1Confident27 Ų2778.5 Ų78.514%0.14139%0.391CS..Hα-helixtrans-71.1-29.7178.8-66.4174.7000112.9L102 S104 E109 L116 I420 F602 I604L102-L106 HydrophobicContact CD1-CD1 3.85Å; L102-L106 HydrophobicContact CD1-CD2 4.42Å; L102-L106 HydrophobicContact CD1-CG 3.92Å; L102-L106 HydrophobicContact CG-CD1 3.9Å; L102-L106 HydrophobicContact CG-CG 4.37Å; L102-L106 WeakPolarHBondContact O-CB 3.24Å; L102-L106 VanDerWaalsContact O-CG 3.31Å; L102-L106 WeakPolarHBondContact O-CG 3.28Å; L102-L106 PolarHBondContact O-N 2.99Å; S104-L106 PolarHBondContact O-N 2.96Å; L106-E109 WeakPolarHBondContact O-CB 3.45Å; L106-L116 HydrophobicContact CD2-CD1 4.4Å; L106-I420 HydrophobicContact CD1-CD1 4.31Å; L106-I420 HydrophobicContact CD1-CG1 4.04Å; L106-F602 HydrophobicContact CD2-CD1 4.39Å; L106-F602 HydrophobicContact CD2-CE1 4.2Å; L106-I604 HydrophobicContact CD1-CG1 4.24Å; L106-I604 HydrophobicContact CD2-CB 4.22Å; L106-I604 HydrophobicContact CD2-CD1 4.48Å; L106-I604 HydrophobicContact CD2-CG1 4.41Å
107K82.7Confident75Confident150 Ų15082.4 Ų82.465%0.65241%0.414SS*.Hα-helixtrans-69.6-39.6174.8-75.2170.4-176.7169.10112.4S103 S104 E109 S110S103-K107 WeakPolarHBondContact O-CD 2.77Å; S103-K107 VanDerWaalsContact O-CG 3.24Å; S103-K107 WeakPolarHBondContact O-CG 3.48Å; S103-K107 PolarHBondContact O-N 3.44Å; S103-K107 PolarHBondContact OG-NZ 3.13Å; S104-K107 PolarHBondContact O-N 3.37Å; K107-E109 PolarHBondContact O-N 3.05Å; K107-S110 PolarHBondContact O-OG 3.35Å
108F70Confident74.4Confident145 Ų14579.3 Ų79.364%0.63640%0.4SS*.Hα-helixtrans-74.8-10.3179.9-72.5-68.4000113.7S104 A105 S110 T111S104-F108 WeakPolarHBondContact O-CD2 3.29Å; S104-F108 PolarHBondContact O-N 2.84Å; A105-F108 PolarHBondContact O-N 3.34Å; F108-S110 PolarHBondContact O-N 3.42Å; F108-S110 VanDerWaalsContact O-N 3.12Å; F108-T111 PolarHBondContact O-N 3Å
109E59.6Low73.9Confident51 Ų5181 Ų8124%0.23841%0.412CS..THydrogen-bonded Turntrans-59.6-24.5-179.6-156.9-165.5136.700113.6A105 L106 K107 T111 F602A105-E109 PolarHBondContact O-N 3.24Å; L106-E109 WeakPolarHBondContact O-CB 3.45Å; K107-E109 PolarHBondContact O-N 3.05Å; E109-T111 PolarHBondContact O-N 2.94Å; E109-F602 HydrophobicContact CG-CB 4.5Å; E109-F602 VanDerWaalsContact OE1-CA 3.22Å; E109-F602 WeakPolarHBondContact OE1-CA 3.22Å; E109-F602 WeakPolarHBondContact OE1-CB 3.26Å; E109-F602 PolarHBondContact OE1-N 2.87Å; E109-F602 VanDerWaalsContact OE1-O 3.07Å
110S48.8Very low73.7Confident105 Ų10580.2 Ų80.273%0.73441%0.408SS*.THydrogen-bonded Turntrans-56.4-13.9170.558.60000113.7K107 F108K107-S110 PolarHBondContact O-OG 3.35Å; F108-S110 PolarHBondContact O-N 3.42Å; F108-S110 VanDerWaalsContact O-N 3.12Å
111T45.8Very low73.7Confident92 Ų9276.5 Ų76.556%0.56439%0.389SS*.SBendtrans-115.971.1-177-38.90000112F108 E109 S113F108-T111 PolarHBondContact O-N 3Å; E109-T111 PolarHBondContact O-N 2.94Å; T111-S113 VanDerWaalsContact C-N 3.25Å; T111-S113 PolarHBondContact O-N 3.27Å
112Y44.5Very low73.9Confident226 Ų22672.1 Ų72.189%0.88637%0.371SS*.SBendtrans53.5-7.1156-70.5-85.2000121.6E114Y112-E114 PolarHBondContact O-N 3.39Å
113S50.4Low74.1Confident70 Ų7074.5 Ų74.549%0.4938%0.38SS..  trans-86.7110.1-178.375.50000111.9T111 K115T111-S113 VanDerWaalsContact C-N 3.25Å; T111-S113 PolarHBondContact O-N 3.27Å; S113-K115 PolarHBondContact O-N 2.73Å; S113-K115 VanDerWaalsContact O-N 3.08Å
114E57.9Low74.4Confident94 Ų9473.6 Ų73.644%0.43937%0.374SS..  trans-67.8-3.5178.4-59.8-175.8151.900115.2R45 Y112 K591 Y595R45-E114 PolarHBondContact NH2-O 3.38Å; R45-E114 VanDerWaalsContact NH2-O 3.08Å; Y112-E114 PolarHBondContact O-N 3.39Å; E114-K591 IonicContact OE1-NZ 2.77Å; E114-K591 PolarHBondContact OE1-NZ 3.48Å; E114-K591 IonicContact OE2-NZ 3.22Å; E114-K591 PolarHBondContact OE2-NZ 3.18Å; E114-Y595 WeakPolarHBondContact OE1-CE2 3.41Å; E114-Y595 PolarHBondContact OE1-OH 3Å
115K67.2Low74.7Confident154 Ų15471 Ų7167%0.6736%0.355SS*.  trans-116.4103.4-176.5-66.2-174.5-177.3-178.50109.3S113 N117S113-K115 PolarHBondContact O-N 2.73Å; S113-K115 VanDerWaalsContact O-N 3.08Å; K115-N117 PolarHBondContact O-N 3.36Å; K115-N117 VanDerWaalsContact O-N 3.08Å
116L71.9Confident75.1Confident14 Ų1471.4 Ų71.47%0.07335%0.353CS..  trans-73.197163.3-61.6175.7000106.1E47 A105 L106 I118 M417 F602E47-L116 HydrophobicContact CB-CB 3.99Å; E47-L116 HydrophobicContact CB-CD1 4.18Å; A105-L116 HydrophobicContact CB-CD2 4.07Å; L106-L116 HydrophobicContact CD2-CD1 4.4Å; L116-I118 HydrophobicContact CB-CD1 3.71Å; L116-I118 HydrophobicContact CB-CG1 3.92Å; L116-I118 HydrophobicContact CD1-CD1 4.23Å; L116-I118 HydrophobicContact CG-CD1 4.43Å; L116-I118 PolarHBondContact O-N 2.99Å; L116-M417 HydrophobicContact CD1-CE 4.35Å; L116-F602 HydrophobicContact CD1-CD1 3.73Å; L116-F602 HydrophobicContact CD1-CD2 4.43Å; L116-F602 HydrophobicContact CD1-CE1 3.53Å; L116-F602 HydrophobicContact CD1-CE2 4.26Å; L116-F602 HydrophobicContact CD1-CG 4.17Å; L116-F602 HydrophobicContact CD1-CZ 3.81Å
117N70.4Confident75.7Confident166 Ų16671.5 Ų71.589%0.88835%0.354SS*.  trans-71.464.2178.1-170.530.6000110.5K115K115-N117 PolarHBondContact O-N 3.36Å; K115-N117 VanDerWaalsContact O-N 3.08Å
118I78.7Confident76.4Confident17 Ų1764.4 Ų64.49%0.08732%0.323CS..  trans-105.4116.8-172.9-62.4174.9000109.1C46 L102 A105 L116 I120 M417C46-I118 WeakPolarHBondContact CB-O 3.36Å; L102-I118 HydrophobicContact CD1-CD1 3.86Å; A105-I118 HydrophobicContact CB-CD1 3.54Å; A105-I118 HydrophobicContact CB-CG1 3.83Å; L116-I118 HydrophobicContact CB-CD1 3.71Å; L116-I118 HydrophobicContact CB-CG1 3.92Å; L116-I118 HydrophobicContact CD1-CD1 4.23Å; L116-I118 HydrophobicContact CG-CD1 4.43Å; L116-I118 PolarHBondContact O-N 2.99Å; I118-I120 HydrophobicContact CG2-CB 4.02Å; I118-I120 HydrophobicContact CG2-CD1 3.54Å; I118-I120 HydrophobicContact CG2-CG1 3.52Å; I118-I120 PolarHBondContact O-N 3.06Å; I118-M417 HydrophobicContact CB-SD 4.35Å; I118-M417 HydrophobicContact CD1-CE 3.81Å; I118-M417 HydrophobicContact CD1-SD 3.87Å; I118-M417 HydrophobicContact CG2-SD 3.86Å
119D82.7Confident77.8Confident82 Ų8257.5 Ų57.544%0.43929%0.292SS..  trans-90.676.2172.7-174.319000110.4R40R40-D119 WeakPolarHBondContact CD-OD1 3.41Å; R40-D119 WeakPolarHBondContact CD-OD2 3.36Å; R40-D119 VanDerWaalsContact CG-OD1 3.27Å; R40-D119 WeakPolarHBondContact CG-OD1 3.49Å
120I89.7Confident79.6Confident3 Ų355.7 Ų55.72%0.01529%0.285CS..  trans-122116169.4-65.1173.3000107.8C46 Y98 I118 L415 M417C46-I120 WeakPolarHBondContact CB-O 3.12Å; Y98-I120 HydrophobicContact CD1-CD1 4.33Å; Y98-I120 HydrophobicContact CD1-CG1 3.82Å; Y98-I120 HydrophobicContact CE1-CG1 4.28Å; Y98-I120 HydrophobicContact CG-CD1 4.37Å; Y98-I120 HydrophobicContact CG-CG1 4.25Å; I118-I120 HydrophobicContact CG2-CB 4.02Å; I118-I120 HydrophobicContact CG2-CD1 3.54Å; I118-I120 HydrophobicContact CG2-CG1 3.52Å; I118-I120 PolarHBondContact O-N 3.06Å; I120-L415 HydrophobicContact CD1-CD2 4.25Å; I120-M417 HydrophobicContact CD1-SD 4.37Å
121T91.3Very high82Confident17 Ų1751.8 Ų51.810%0.10426%0.255CS..  trans-61.1131.7-179.3-52.50000111.4C125 R414T121-C125 HydrophobicContact CG2-CB 3.71Å; T121-R414 PolarHBondContact O-NH2 3.16Å
122P95.1Very high84.4Confident6 Ų647.4 Ų47.44%0.03923%0.228CC..  trans-58.5153.1177.3-31.441.1000114.4Y39 Y52 L124 C125 R414Y39-P122 HydrophobicContact CD1-CG 4.22Å; Y39-P122 HydrophobicContact CE1-CG 3.57Å; Y39-P122 HydrophobicContact CE2-CG 4.27Å; Y52-P122 HydrophobicContact CE1-CB 3.97Å; Y52-P122 WeakPolarHBondContact OH-CB 3.29Å; P122-L124 PolarHBondContact O-N 3.27Å; P122-C125 WeakPolarHBondContact O-CB 3.44Å; P122-C125 PolarHBondContact O-N 3.29Å; P122-R414 PolarHBondContact O-NH2 3.13Å
123R95.1Very high87Confident49 Ų4936.6 Ų36.619%0.18519%0.186CC..THydrogen-bonded Turntrans-59.7-44.6-170-171.165.3175.5-130.4-13.6112.7Y52 C125 R414 V416 D427Y52-R123 PolarHBondContact OH-N 2.87Å; R123-C125 PolarHBondContact O-N 2.93Å; R123-R414 PolarHBondContact NH1-O 3.42Å; R123-V416 HydrophobicContact CB-CG1 4.3Å; R123-D427 IonicContact CZ-OD1 3.54Å; R123-D427 IonicContact CZ-OD2 3.54Å; R123-D427 IonicContact NH1-OD1 2.84Å; R123-D427 PolarHBondContact NH1-OD1 3.17Å; R123-D427 IonicContact NH1-OD2 3.92Å; R123-D427 PolarHBondContact NH1-OD2 2.99Å; R123-D427 IonicContact NH2-OD1 3.59Å; R123-D427 PolarHBondContact NH2-OD1 3.46Å; R123-D427 IonicContact NH2-OD2 3.83Å
124L97.2Very high89.2Confident0 Ų038.8 Ų38.80%019%0.186CC..THydrogen-bonded Turntrans-92.810.6-172.6-54.8174.7000113.9Y52 P122 R126 N127 V128 Q614 L656 F660Y52-L124 HydrophobicContact CE1-CB 3.93Å; Y52-L124 HydrophobicContact CE2-CB 4.17Å; Y52-L124 HydrophobicContact CE2-CD1 4.24Å; Y52-L124 WeakPolarHBondContact OH-CB 3.39Å; Y52-L124 PolarHBondContact OH-N 3.38Å; P122-L124 PolarHBondContact O-N 3.27Å; L124-R126 VanDerWaalsContact C-N 3.28Å; L124-R126 PolarHBondContact O-N 3.03Å; L124-N127 PolarHBondContact O-N 3.39Å; L124-N127 VanDerWaalsContact O-N 3.1Å; L124-V128 HydrophobicContact CB-CG2 4.26Å; L124-V128 WeakPolarHBondContact O-CB 3.37Å; L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 3.47Å; L124-Q614 HydrophobicContact CD1-CB 3.76Å; L124-Q614 HydrophobicContact CD1-CG 3.64Å; L124-Q614 HydrophobicContact CD2-CB 4.34Å; L124-Q614 HydrophobicContact CG-CB 3.92Å; L124-Q614 HydrophobicContact CG-CG 4.18Å; L124-L656 HydrophobicContact CD1-CB 4.19Å; L124-L656 HydrophobicContact CD1-CD1 4.43Å; L124-L656 HydrophobicContact CD1-CD2 4.05Å; L124-L656 HydrophobicContact CD1-CG 4.45Å; L124-L656 HydrophobicContact CD2-CD1 4.22Å; L124-F660 HydrophobicContact CD1-CD2 3.43Å; L124-F660 VanDerWaalsContact CD1-CD2 3.43Å; L124-F660 HydrophobicContact CD1-CE2 3.71Å; L124-F660 HydrophobicContact CD1-CG 4.25Å
125C95.8Very high91Very high4 Ų438.7 Ų38.73%0.02719%0.186CC..Hα-helixtrans-53.6-45.1-177.1-176.90000112.3Y39 T121 P122 R123 L129Y39-C125 HydrophobicContact CD2-CB 4.41Å; Y39-C125 VanDerWaalsContact CD2-SG 3.59Å; T121-C125 HydrophobicContact CG2-CB 3.71Å; P122-C125 WeakPolarHBondContact O-CB 3.44Å; P122-C125 PolarHBondContact O-N 3.29Å; R123-C125 PolarHBondContact O-N 2.93Å; C125-L129 PolarHBondContact O-N 3.24Å
126R96.5Very high92.3Very high28 Ų2833.3 Ų33.311%0.10617%0.168CC..Hα-helixtrans-60.1-53.5173.4-179.8-173.2-171.4-122.17.4112.1E32 F77 G78 L124 V128 L129 V130E32-R126 WeakPolarHBondContact OE1-CD 3.38Å; E32-R126 WeakPolarHBondContact OE1-CG 3.48Å; E32-R126 IonicContact OE1-CZ 3.42Å; E32-R126 IonicContact OE1-NE 3.35Å; E32-R126 PolarHBondContact OE1-NE 3.45Å; F77-R126 HydrophobicContact CD1-CG 4.23Å; F77-R126 HydrophobicContact CE1-CG 4.14Å; G78-R126 PolarHBondContact O-NH2 3.34Å; L124-R126 VanDerWaalsContact C-N 3.28Å; L124-R126 PolarHBondContact O-N 3.03Å; R126-V128 VanDerWaalsContact C-N 3.3Å; R126-V128 PolarHBondContact O-N 3.07Å; R126-L129 WeakPolarHBondContact O-CB 3.28Å; R126-L129 PolarHBondContact O-N 2.89Å; R126-V130 WeakPolarHBondContact O-CG2 3.26Å; R126-V130 PolarHBondContact O-N 2.9Å; R126-V130 VanDerWaalsContact O-N 3.08Å
127N97.9Very high93.4Very high29 Ų2938 Ų3816%0.15520%0.201CC..Hα-helixtrans-61.4-40.3-176.9-53.978.2000112.1L124 V130 E131 S618 L656L124-N127 PolarHBondContact O-N 3.39Å; L124-N127 VanDerWaalsContact O-N 3.1Å; N127-V130 WeakPolarHBondContact O-CB 3.46Å; N127-V130 PolarHBondContact O-N 2.97Å; N127-E131 WeakPolarHBondContact O-CG 3.49Å; N127-E131 PolarHBondContact O-N 3.28Å; N127-S618 PolarHBondContact ND2-OG 3.11Å; N127-L656 HydrophobicContact CB-CD1 3.39Å
128V98.1Very high94.7Very high0 Ų031 Ų310%017%0.165CC..Hα-helixtrans-68.7-38178170.20000111Y52 F55 L124 R126 V130 E131 I132 L656 W657Y52-V128 HydrophobicContact CD1-CB 4.16Å; Y52-V128 HydrophobicContact CD1-CG1 4.4Å; Y52-V128 HydrophobicContact CD1-CG2 3.69Å; Y52-V128 HydrophobicContact CE1-CG2 4.3Å; Y52-V128 HydrophobicContact CG-CG2 3.88Å; F55-V128 HydrophobicContact CD1-CB 4.35Å; F55-V128 HydrophobicContact CD1-CG1 3.72Å; F55-V128 HydrophobicContact CE1-CB 4.45Å; F55-V128 HydrophobicContact CE1-CG1 4.12Å; L124-V128 HydrophobicContact CB-CG2 4.26Å; L124-V128 WeakPolarHBondContact O-CB 3.37Å; L124-V128 WeakPolarHBondContact O-CG2 3.39Å; L124-V128 PolarHBondContact O-N 3.47Å; R126-V128 VanDerWaalsContact C-N 3.3Å; R126-V128 PolarHBondContact O-N 3.07Å; V128-V130 VanDerWaalsContact C-N 3.32Å; V128-V130 PolarHBondContact O-N 3.04Å; V128-E131 PolarHBondContact O-N 3.37Å; V128-I132 HydrophobicContact CG1-CD1 3.74Å; V128-I132 HydrophobicContact CG1-CG1 4.32Å; V128-I132 WeakPolarHBondContact O-CD1 3.41Å; V128-I132 WeakPolarHBondContact O-CG1 3.3Å; V128-I132 PolarHBondContact O-N 3.12Å; V128-L656 HydrophobicContact CG2-CB 4.05Å; V128-W657 HydrophobicContact CG1-CB 3.87Å; V128-W657 HydrophobicContact CG2-CB 4.21Å
129L98.4Very high95.6Very high0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-58.1-46.6172.6-179.560.1000110.9A31 F34 A35 F55 V59 F77 C125 R126 E131 I132 L133A31-L129 HydrophobicContact CB-CD2 4.43Å; F34-L129 HydrophobicContact CD1-CD1 4.09Å; F34-L129 HydrophobicContact CD1-CD2 3.9Å; F34-L129 HydrophobicContact CE1-CD1 3.88Å; A35-L129 HydrophobicContact CB-CD2 3.79Å; F55-L129 HydrophobicContact CE1-CB 4.27Å; F55-L129 HydrophobicContact CZ-CB 4.43Å; V59-L129 HydrophobicContact CG1-CD1 3.89Å; V59-L129 HydrophobicContact CG2-CD1 4.3Å; F77-L129 HydrophobicContact CE1-CD2 4.04Å; F77-L129 HydrophobicContact CZ-CD2 3.82Å; F77-L129 HydrophobicContact CZ-CG 4Å; C125-L129 PolarHBondContact O-N 3.24Å; R126-L129 WeakPolarHBondContact O-CB 3.28Å; R126-L129 PolarHBondContact O-N 2.89Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.31Å; L129-I132 WeakPolarHBondContact O-CB 3.48Å; L129-I132 PolarHBondContact O-N 3.46Å; L129-I132 VanDerWaalsContact O-N 3.14Å; L129-L133 HydrophobicContact CD1-CD1 4.21Å; L129-L133 HydrophobicContact CD1-CD2 4.35Å; L129-L133 HydrophobicContact CD1-CG 4.08Å; L129-L133 HydrophobicContact CG-CD1 3.96Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.29Å
130V98.5Very high96.3Very high14 Ų1429.4 Ų29.49%0.08516%0.158CC..Hα-helixtrans-57.1-45.1176.1174.40000111.8F77 R126 N127 V128 I132 L133 K134 Y140 L395F77-V130 HydrophobicContact CE1-CG2 4.01Å; F77-V130 HydrophobicContact CE2-CG2 4.12Å; F77-V130 HydrophobicContact CZ-CG2 3.69Å; R126-V130 WeakPolarHBondContact O-CG2 3.26Å; R126-V130 PolarHBondContact O-N 2.9Å; R126-V130 VanDerWaalsContact O-N 3.08Å; N127-V130 WeakPolarHBondContact O-CB 3.46Å; N127-V130 PolarHBondContact O-N 2.97Å; V128-V130 VanDerWaalsContact C-N 3.32Å; V128-V130 PolarHBondContact O-N 3.04Å; V130-I132 VanDerWaalsContact C-N 3.34Å; V130-I132 PolarHBondContact O-N 2.91Å; V130-L133 PolarHBondContact O-N 2.98Å; V130-K134 WeakPolarHBondContact O-CB 3.34Å; V130-K134 PolarHBondContact O-N 3.03Å; V130-Y140 HydrophobicContact CG1-CE2 3.79Å; V130-L395 HydrophobicContact CG1-CB 4.21Å; V130-L395 HydrophobicContact CG2-CB 4.07Å; V130-L395 HydrophobicContact CG2-CD1 3.48Å; V130-L395 VanDerWaalsContact CG2-CD1 3.48Å; V130-L395 HydrophobicContact CG2-CG 4.43Å
131E98.1Very high96.7Very high22 Ų2229.3 Ų29.310%0.10316%0.158CC..Hα-helixtrans-59.8-43.2176.4-71.3176.9166.700111.7N127 V128 L129 K134 E135 K621 L656 W657N127-E131 WeakPolarHBondContact O-CG 3.49Å; N127-E131 PolarHBondContact O-N 3.28Å; V128-E131 PolarHBondContact O-N 3.37Å; L129-E131 VanDerWaalsContact C-N 3.33Å; L129-E131 PolarHBondContact O-N 3.31Å; E131-K134 PolarHBondContact O-N 2.9Å; E131-E135 WeakPolarHBondContact O-CB 3.32Å; E131-E135 VanDerWaalsContact O-CG 3.22Å; E131-E135 WeakPolarHBondContact O-CG 3.46Å; E131-E135 PolarHBondContact O-N 3.13Å; E131-K621 IonicContact OE1-NZ 4Å; E131-K621 PolarHBondContact OE1-NZ 2.58Å; E131-L656 VanDerWaalsContact CD-N 3.3Å; E131-L656 WeakPolarHBondContact OE1-CG 3.28Å; E131-L656 PolarHBondContact OE1-N 3.07Å; E131-L656 PolarHBondContact OE2-N 3.41Å; E131-W657 VanDerWaalsContact OE2-CD1 3.23Å; E131-W657 PolarHBondContact OE2-N 3.41Å
132I97.7Very high97Very high0 Ų028.6 Ų28.60%015%0.154CC..Hα-helixtrans-63.9-45178.1-63.7157.7000111.5F55 K56 V59 L63 V128 L129 V130 E135 S136F55-I132 HydrophobicContact CD1-CD1 4.17Å; F55-I132 HydrophobicContact CE1-CD1 4.2Å; K56-I132 HydrophobicContact CB-CD1 3.91Å; K56-I132 HydrophobicContact CB-CG1 4.11Å; K56-I132 HydrophobicContact CD-CG1 4.47Å; K56-I132 HydrophobicContact CG-CD1 4.31Å; K56-I132 HydrophobicContact CG-CG1 3.99Å; V59-I132 HydrophobicContact CB-CD1 4.21Å; V59-I132 HydrophobicContact CB-CG2 4.3Å; V59-I132 HydrophobicContact CG1-CG2 3.79Å; V59-I132 HydrophobicContact CG2-CD1 4.32Å; L63-I132 HydrophobicContact CD1-CG2 4.22Å; V128-I132 HydrophobicContact CG1-CD1 3.74Å; V128-I132 HydrophobicContact CG1-CG1 4.32Å; V128-I132 WeakPolarHBondContact O-CD1 3.41Å; V128-I132 WeakPolarHBondContact O-CG1 3.3Å; V128-I132 PolarHBondContact O-N 3.12Å; L129-I132 WeakPolarHBondContact O-CB 3.48Å; L129-I132 PolarHBondContact O-N 3.46Å; L129-I132 VanDerWaalsContact O-N 3.14Å; V130-I132 VanDerWaalsContact C-N 3.34Å; V130-I132 PolarHBondContact O-N 2.91Å; I132-E135 PolarHBondContact O-N 3.08Å; I132-S136 VanDerWaalsContact O-CB 3.31Å; I132-S136 WeakPolarHBondContact O-CB 3.46Å; I132-S136 PolarHBondContact O-N 3.44Å; I132-S136 PolarHBondContact O-OG 2.78Å
133L98.3Very high97.1Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-65.3-44.2179.9-63.8174.4000111.1L63 F75 F77 L129 V130 S136 S137 V138 Y140L63-L133 HydrophobicContact CD1-CD2 4.46Å; L63-L133 HydrophobicContact CD2-CD2 4.49Å; F75-L133 HydrophobicContact CB-CD1 3.71Å; F75-L133 HydrophobicContact CD1-CD1 4.02Å; F75-L133 HydrophobicContact CD1-CD2 4.45Å; F75-L133 HydrophobicContact CD2-CD1 3.95Å; F75-L133 HydrophobicContact CD2-CD2 3.52Å; F75-L133 HydrophobicContact CD2-CG 4.39Å; F75-L133 HydrophobicContact CE1-CD2 4.4Å; F75-L133 HydrophobicContact CE2-CD2 3.44Å; F75-L133 VanDerWaalsContact CE2-CD2 3.44Å; F75-L133 HydrophobicContact CG-CD1 3.63Å; F75-L133 HydrophobicContact CG-CD2 4.03Å; F75-L133 HydrophobicContact CZ-CD2 3.92Å; F77-L133 HydrophobicContact CE2-CD1 3.82Å; F77-L133 HydrophobicContact CZ-CD1 3.94Å; L129-L133 HydrophobicContact CD1-CD1 4.21Å; L129-L133 HydrophobicContact CD1-CD2 4.35Å; L129-L133 HydrophobicContact CD1-CG 4.08Å; L129-L133 HydrophobicContact CG-CD1 3.96Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 VanDerWaalsContact O-CG 3.28Å; L129-L133 WeakPolarHBondContact O-CG 3.35Å; L129-L133 PolarHBondContact O-N 3.29Å; V130-L133 PolarHBondContact O-N 2.98Å; L133-S136 CarbonylContact O-C 3.59Å; L133-S136 PolarHBondContact O-N 2.87Å; L133-S137 PolarHBondContact O-N 3.45Å; L133-V138 HydrophobicContact CB-CB 4.35Å; L133-V138 HydrophobicContact CD2-CB 3.88Å; L133-V138 HydrophobicContact CD2-CG1 3.75Å; L133-V138 HydrophobicContact CD2-CG2 4.45Å; L133-V138 PolarHBondContact O-N 2.93Å; L133-Y140 HydrophobicContact CB-CD1 3.79Å; L133-Y140 HydrophobicContact CB-CE1 4.26Å; L133-Y140 HydrophobicContact CB-CG 4.48Å; L133-Y140 HydrophobicContact CD1-CD1 4.42Å; L133-Y140 HydrophobicContact CD1-CG 4.32Å
134K96.7Very high97.1Very high115 Ų11528.2 Ų28.250%0.515%0.154SC..Hα-helixtrans-60.7-45.2176-171.7171.8-173.6163.60111.9V130 E131 S136 S137 Y140 E396V130-K134 WeakPolarHBondContact O-CB 3.34Å; V130-K134 PolarHBondContact O-N 3.03Å; E131-K134 PolarHBondContact O-N 2.9Å; K134-S136 VanDerWaalsContact C-N 3.28Å; K134-S136 PolarHBondContact O-N 3.3Å; K134-S137 PolarHBondContact O-N 2.9Å; K134-Y140 HydrophobicContact CB-CE1 4.14Å; K134-E396 IonicContact NZ-OE1 2.64Å; K134-E396 PolarHBondContact NZ-OE1 3.45Å
135E95Very high97Very high93 Ų9330 Ų3044%0.43516%0.161SC..Hα-helixtrans-66.9-28.9177.2-73.4171.7-157.800113.1K56 E131 I132 W657K56-E135 IonicContact NZ-OE2 3.21Å; K56-E135 PolarHBondContact NZ-OE2 2.94Å; E131-E135 WeakPolarHBondContact O-CB 3.32Å; E131-E135 VanDerWaalsContact O-CG 3.22Å; E131-E135 WeakPolarHBondContact O-CG 3.46Å; E131-E135 PolarHBondContact O-N 3.13Å; I132-E135 PolarHBondContact O-N 3.08Å; E135-W657 PolarHBondContact OE1-NE1 3.35Å
136S95.4Very high96.8Very high41 Ų4132.9 Ų32.929%0.28717%0.174SC..THydrogen-bonded Turntrans-91.52.9179.3-50.10000113.4H60 I132 L133 K134 V138H60-S136 PolarHBondContact CE1-OG 3.32Å; I132-S136 VanDerWaalsContact O-CB 3.31Å; I132-S136 WeakPolarHBondContact O-CB 3.46Å; I132-S136 PolarHBondContact O-N 3.44Å; I132-S136 PolarHBondContact O-OG 2.78Å; L133-S136 CarbonylContact O-C 3.59Å; L133-S136 PolarHBondContact O-N 2.87Å; K134-S136 VanDerWaalsContact C-N 3.28Å; K134-S136 PolarHBondContact O-N 3.3Å; S136-V138 PolarHBondContact O-N 2.94Å
137S95.7Very high96.7Very high111 Ų11131.7 Ų31.778%0.77617%0.17SC*.THydrogen-bonded Turntrans5233.2-173.5-57.70000113.7L133 K134L133-S137 PolarHBondContact O-N 3.45Å; K134-S137 PolarHBondContact O-N 2.9Å
138V97.1Very high96.4Very high19 Ų1931.8 Ų31.812%0.11517%0.17CC..  trans-84.7130.4176.7173.90000108.8L63 P73 F75 L133 S136 Y140L63-V138 HydrophobicContact CD1-CG2 4.1Å; L63-V138 HydrophobicContact CD2-CG2 4.03Å; P73-V138 HydrophobicContact CG-CG1 3.99Å; P73-V138 WeakPolarHBondContact O-CG1 3.45Å; F75-V138 HydrophobicContact CD2-CG1 3.66Å; F75-V138 HydrophobicContact CE2-CG1 3.83Å; L133-V138 HydrophobicContact CB-CB 4.35Å; L133-V138 HydrophobicContact CD2-CB 3.88Å; L133-V138 HydrophobicContact CD2-CG1 3.75Å; L133-V138 HydrophobicContact CD2-CG2 4.45Å; L133-V138 PolarHBondContact O-N 2.93Å; S136-V138 PolarHBondContact O-N 2.94Å; V138-Y140 WeakPolarHBondContact O-CD1 3.34Å; V138-Y140 PolarHBondContact O-N 3.45Å
139P97.4Very high96.2Very high51 Ų5133.8 Ų33.833%0.33118%0.181SC..  trans-60.1131.1178-2433.8000112.3I74 F75 L328I74-P139 HydrophobicContact CG2-CB 4.5Å; F75-P139 PolarHBondContact N-O 3.07Å; P139-L328 HydrophobicContact CB-CD2 4.22Å
140Y98.2Very high96Very high15 Ų1536.1 Ų36.16%0.05919%0.193CC..EExtended strand (participates in β ladder)trans-147.7154.7170.170-85.7000111.4F75 F77 V130 L133 K134 V138 F394F75-Y140 CarbonylContact O-C 3.55Å; F75-Y140 WeakPolarHBondContact O-CA 3.41Å; F75-Y140 WeakPolarHBondContact O-CB 3.42Å; F77-Y140 HydrophobicContact CD2-CD2 4.31Å; F77-Y140 HydrophobicContact CE2-CD2 4.11Å; F77-Y140 HydrophobicContact CE2-CG 4.28Å; V130-Y140 HydrophobicContact CG1-CE2 3.79Å; L133-Y140 HydrophobicContact CB-CD1 3.79Å; L133-Y140 HydrophobicContact CB-CE1 4.26Å; L133-Y140 HydrophobicContact CB-CG 4.48Å; L133-Y140 HydrophobicContact CD1-CD1 4.42Å; L133-Y140 HydrophobicContact CD1-CG 4.32Å; K134-Y140 HydrophobicContact CB-CE1 4.14Å; V138-Y140 WeakPolarHBondContact O-CD1 3.34Å; V138-Y140 PolarHBondContact O-N 3.45Å; Y140-F394 HydrophobicContact CE2-CD1 4.23Å
141I97.8Very high95.9Very high1 Ų135.5 Ų35.51%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-152.8148.1174.1-165.3165.1000110.5F75 I76 F77 L324 E327 L328 K393F75-I141 PolarHBondContact O-N 2.86Å; I76-I141 WeakPolarHBondContact CA-O 3.4Å; I76-I141 HydrophobicContact CD1-CG2 3.62Å; F77-I141 PolarHBondContact N-O 2.99Å; I141-L324 HydrophobicContact CD1-CD2 4.31Å; I141-L324 HydrophobicContact CG2-CD2 4.05Å; I141-E327 HydrophobicContact CD1-CB 3.77Å; I141-E327 VanDerWaalsContact CD1-OE2 3.26Å; I141-E327 WeakPolarHBondContact CD1-OE2 3.22Å; I141-L328 HydrophobicContact CB-CD2 3.94Å; I141-L328 HydrophobicContact CB-CG 4.39Å; I141-L328 HydrophobicContact CG2-CD1 4Å; I141-L328 HydrophobicContact CG2-CD2 3.9Å; I141-L328 HydrophobicContact CG2-CG 4Å; I141-K393 HydrophobicContact CD1-CD 4.37Å; I141-K393 HydrophobicContact CG1-CB 4.11Å
142A97.8Very high95.8Very high2 Ų234.4 Ų34.42%0.01718%0.184CC..EExtended strand (participates in β ladder)trans-97.5132.5170.300000111.1F77 K393 L395F77-A142 HydrophobicContact CB-CB 4.05Å; F77-A142 CarbonylContact O-C 3.44Å; F77-A142 WeakPolarHBondContact O-CA 3.36Å; A142-K393 WeakPolarHBondContact CB-O 3.32Å; A142-K393 PolarHBondContact N-O 3.19Å; A142-L395 HydrophobicContact CB-CD1 4.22Å; A142-L395 HydrophobicContact CB-CD2 3.51Å; A142-L395 HydrophobicContact CB-CG 3.78Å
143C96.3Very high95.6Very high5 Ų534.7 Ų34.73%0.03419%0.185CC..  trans-65.8159.1166.3-62.10000110.1I76 F77 G79 R145 N150I76-C143 VanDerWaalsContact CG2-SG 3.55Å; F77-C143 PolarHBondContact O-N 2.87Å; G79-C143 WeakPolarHBondContact CA-O 3.45Å; G79-C143 PolarHBondContact N-O 3.23Å; C143-R145 VanDerWaalsContact C-N 3.32Å; C143-N150 WeakPolarHBondContact SG-CB 3.48Å; C143-N150 PolarHBondContact SG-ND2 3.48Å
144E95Very high95.4Very high42 Ų4234.7 Ų34.720%0.19619%0.185CC..SBendtrans-61.5-45172.9-172.5-169.7144.200111.2G79 C80 S379 I380 F381G79-E144 WeakPolarHBondContact CA-O 3.4Å; C80-E144 PolarHBondContact N-O 3.02Å; E144-S379 WeakPolarHBondContact OE1-CA 3.37Å; E144-S379 PolarHBondContact OE2-OG 2.71Å; E144-I380 HydrophobicContact CG-CB 3.99Å; E144-I380 HydrophobicContact CG-CD1 4.16Å; E144-I380 HydrophobicContact CG-CG1 4.23Å; E144-I380 WeakPolarHBondContact OE1-CB 3.21Å; E144-I380 WeakPolarHBondContact OE1-CG1 3.46Å; E144-I380 PolarHBondContact OE1-N 3.1Å; E144-F381 HydrophobicContact CB-CD2 4.39Å; E144-F381 HydrophobicContact CB-CE2 3.63Å; E144-F381 HydrophobicContact CB-CZ 3.84Å; E144-F381 HydrophobicContact CG-CD2 4.23Å; E144-F381 HydrophobicContact CG-CE1 4.27Å; E144-F381 HydrophobicContact CG-CE2 3.8Å; E144-F381 HydrophobicContact CG-CZ 3.81Å
145R94.4Very high95.4Very high39 Ų3929.3 Ų29.315%0.14716%0.162CC..SBendtrans-118.6-142.2-178.3-56.7-59.9-173.7153.62.6110.2G79 C80 H81 C143 I380 Y406G79-R145 WeakPolarHBondContact CA-O 3.2Å; G79-R145 PolarHBondContact N-O 3.21Å; C80-R145 CarbonylContact O-C 3.44Å; C80-R145 WeakPolarHBondContact O-CA 3.31Å; H81-R145 PolarHBondContact O-NH1 3.44Å; C143-R145 VanDerWaalsContact C-N 3.32Å; R145-I380 VanDerWaalsContact CZ-CD1 3.42Å; R145-Y406 PolarHBondContact NH1-O 3.35Å; R145-Y406 PolarHBondContact NH2-O 3.09Å
146E92.2Very high95.3Very high63 Ų6325.9 Ų25.929%0.29415%0.147SC..  trans-63.5152.2176.6-59.7-163.914100112.6P82 K87 N150P82-E146 WeakPolarHBondContact CD-OE1 3.28Å; P82-E146 VanDerWaalsContact CG-CD 3.44Å; P82-E146 HydrophobicContact CG-CG 3.77Å; K87-E146 WeakPolarHBondContact CD-OE1 3.4Å; K87-E146 WeakPolarHBondContact CE-OE1 3.38Å; K87-E146 IonicContact NZ-OE1 2.74Å; K87-E146 PolarHBondContact NZ-OE1 2.91Å; E146-N150 PolarHBondContact O-ND2 3.32Å
147A93.8Very high95.1Very high3 Ų326.2 Ų26.23%0.02514%0.142CC..  trans-99.2-22.4-171.900000113.3I76 I149 N150 V151I76-A147 HydrophobicContact CG2-CB 4.07Å; A147-I149 PolarHBondContact O-N 3.41Å; A147-N150 CarbonylContact O-C 3.57Å; A147-N150 WeakPolarHBondContact O-CA 3.43Å; A147-N150 VanDerWaalsContact O-CB 3.28Å; A147-N150 WeakPolarHBondContact O-CB 3.5Å; A147-N150 PolarHBondContact O-N 3.41Å; A147-V151 HydrophobicContact CB-CG2 3.88Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 2.97Å
148D93.2Very high95Very high32 Ų3221.6 Ų21.617%0.17111%0.109CC..Hα-helixtrans-56.4-49.1-162.1-59.824.4000113.2V151 A152 F169 Y172D148-V151 PolarHBondContact O-N 3.44Å; D148-A152 PolarHBondContact O-N 2.82Å; D148-A152 VanDerWaalsContact O-N 3.16Å; D148-F169 HydrophobicContact CB-CE2 4.25Å; D148-F169 HydrophobicContact CB-CZ 4.36Å; D148-Y172 HydrophobicContact CB-CE2 4.02Å; D148-Y172 WeakPolarHBondContact CB-OH 3.23Å
149I92.8Very high94.8Very high42 Ų4230.5 Ų30.522%0.21514%0.14CC..Hα-helixtrans-61.1-49.4173.9-61.7177.7000110.6A147 V151 A152 E153 Y172 D314 L317A147-I149 PolarHBondContact O-N 3.41Å; I149-V151 VanDerWaalsContact C-N 3.29Å; I149-V151 PolarHBondContact O-N 2.84Å; I149-A152 WeakPolarHBondContact O-CB 3.41Å; I149-A152 PolarHBondContact O-N 3.44Å; I149-A152 VanDerWaalsContact O-N 3.07Å; I149-E153 HydrophobicContact CG2-CG 4.07Å; I149-E153 WeakPolarHBondContact O-CG 3.25Å; I149-E153 PolarHBondContact O-N 3.08Å; I149-Y172 HydrophobicContact CG1-CE1 3.96Å; I149-D314 WeakPolarHBondContact CD1-O 3.49Å; I149-L317 HydrophobicContact CG2-CD2 4.05Å
150N94.1Very high94.8Very high49 Ų4928.4 Ų28.426%0.26213%0.127SC..Hα-helixtrans-58.9-38.1-179.8-76.6-59.1000112.8C143 E146 A147 L154 L324C143-N150 WeakPolarHBondContact SG-CB 3.48Å; C143-N150 PolarHBondContact SG-ND2 3.48Å; E146-N150 PolarHBondContact O-ND2 3.32Å; A147-N150 CarbonylContact O-C 3.57Å; A147-N150 WeakPolarHBondContact O-CA 3.43Å; A147-N150 VanDerWaalsContact O-CB 3.28Å; A147-N150 WeakPolarHBondContact O-CB 3.5Å; A147-N150 PolarHBondContact O-N 3.41Å; N150-L154 VanDerWaalsContact O-CB 3.25Å; N150-L154 WeakPolarHBondContact O-CB 3.4Å; N150-L154 PolarHBondContact O-N 2.92Å; N150-L324 HydrophobicContact CB-CD1 3.59Å
151V96.4Very high94.8Very high0 Ų027.9 Ų27.90%013%0.125CC..Hα-helixtrans-63.8-45.7175.6-175.60000109.5V28 D30 I76 A147 D148 I149 A155 V162 F169V28-V151 HydrophobicContact CG1-CB 4.49Å; V28-V151 HydrophobicContact CG1-CG1 3.63Å; D30-V151 HydrophobicContact CB-CG1 4.43Å; I76-V151 HydrophobicContact CB-CG2 3.7Å; I76-V151 HydrophobicContact CG1-CG2 4.32Å; I76-V151 HydrophobicContact CG2-CG2 3.87Å; A147-V151 HydrophobicContact CB-CG2 3.88Å; A147-V151 WeakPolarHBondContact O-CG2 3.41Å; A147-V151 PolarHBondContact O-N 2.97Å; D148-V151 PolarHBondContact O-N 3.44Å; I149-V151 VanDerWaalsContact C-N 3.29Å; I149-V151 PolarHBondContact O-N 2.84Å; V151-A155 PolarHBondContact O-N 3.01Å; V151-V162 HydrophobicContact CG1-CG2 3.51Å; V151-F169 HydrophobicContact CB-CE1 3.94Å; V151-F169 HydrophobicContact CB-CZ 3.94Å; V151-F169 HydrophobicContact CG1-CE1 3.74Å; V151-F169 HydrophobicContact CG1-CZ 3.98Å; V151-F169 HydrophobicContact CG2-CZ 4.4Å
152A95.5Very high94.8Very high0 Ų027.8 Ų27.80%013%0.125CC..Hα-helixtrans-66.6-46.1178.900000112.3D148 I149 A155 I156 Y172 Y181 L317D148-A152 PolarHBondContact O-N 2.82Å; D148-A152 VanDerWaalsContact O-N 3.16Å; I149-A152 WeakPolarHBondContact O-CB 3.41Å; I149-A152 PolarHBondContact O-N 3.44Å; I149-A152 VanDerWaalsContact O-N 3.07Å; A152-A155 PolarHBondContact O-N 3.07Å; A152-I156 WeakPolarHBondContact O-CG1 3.45Å; A152-I156 PolarHBondContact O-N 3.14Å; A152-I156 VanDerWaalsContact O-N 3.11Å; A152-Y172 HydrophobicContact CB-CD2 3.99Å; A152-Y172 HydrophobicContact CB-CG 4.11Å; A152-Y181 HydrophobicContact CB-CE2 3.81Å; A152-L317 HydrophobicContact CB-CD2 4.07Å
153E94.3Very high94.8Very high5 Ų527.8 Ų27.82%0.02312%0.124CC..Hα-helixtrans-64.5-41.2179.9-71.9-177.7163.700112.3I149 A155 I156 Y157 L317 S318 S319I149-E153 HydrophobicContact CG2-CG 4.07Å; I149-E153 WeakPolarHBondContact O-CG 3.25Å; I149-E153 PolarHBondContact O-N 3.08Å; E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.2Å; E153-I156 PolarHBondContact O-N 3.49Å; E153-Y157 WeakPolarHBondContact O-CB 3.29Å; E153-Y157 PolarHBondContact O-N 3.06Å; E153-L317 HydrophobicContact CG-CB 4.19Å; E153-L317 HydrophobicContact CG-CD2 4.13Å; E153-L317 WeakPolarHBondContact OE1-CA 3.45Å; E153-S318 PolarHBondContact OE1-N 3.31Å; E153-S319 VanDerWaalsContact CD-O 3.3Å; E153-S319 PolarHBondContact OE1-N 3.46Å; E153-S319 PolarHBondContact OE1-OG 3.15Å; E153-S319 VanDerWaalsContact OE1-OG 3.1Å; E153-S319 WeakPolarHBondContact OE2-CB 3.27Å; E153-S319 PolarHBondContact OE2-OG 2.96Å
154L95.1Very high94.8Very high0 Ų027.7 Ų27.70%012%0.124CC..Hα-helixtrans-61.5-41175.1-179.363.1000111.6V28 I74 I76 N150 Y157 L158 G321 L324 A325 L328V28-L154 HydrophobicContact CG1-CD2 4.06Å; V28-L154 HydrophobicContact CG1-CG 4.49Å; V28-L154 HydrophobicContact CG2-CD2 4.2Å; V28-L154 HydrophobicContact CG2-CG 4.08Å; I74-L154 HydrophobicContact CG2-CD2 4.24Å; I76-L154 HydrophobicContact CD1-CD2 3.52Å; I76-L154 HydrophobicContact CG1-CD2 4Å; N150-L154 VanDerWaalsContact O-CB 3.25Å; N150-L154 WeakPolarHBondContact O-CB 3.4Å; N150-L154 PolarHBondContact O-N 2.92Å; L154-Y157 PolarHBondContact O-N 2.98Å; L154-L158 HydrophobicContact CD1-CD1 3.75Å; L154-L158 HydrophobicContact CD1-CG 3.88Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 WeakPolarHBondContact O-CG 3.33Å; L154-L158 PolarHBondContact O-N 2.71Å; L154-G321 WeakPolarHBondContact CD1-O 3.09Å; L154-L324 HydrophobicContact CD1-CB 4.19Å; L154-A325 HydrophobicContact CD1-CB 3.8Å; L154-L328 HydrophobicContact CD2-CD1 3.8Å
155A95.5Very high94.8Very high2 Ų227.7 Ų27.72%0.01714%0.135CC..Hα-helixtrans-65.4-40.2179.200000112.4V28 V151 A152 E153 R159 C160 V162V28-A155 HydrophobicContact CB-CB 4.07Å; V28-A155 HydrophobicContact CG2-CB 3.91Å; V151-A155 PolarHBondContact O-N 3.01Å; A152-A155 PolarHBondContact O-N 3.07Å; E153-A155 VanDerWaalsContact C-N 3.31Å; E153-A155 PolarHBondContact O-N 3.2Å; A155-R159 WeakPolarHBondContact O-CA 3.23Å; A155-R159 PolarHBondContact O-N 3.21Å; A155-C160 PolarHBondContact O-N 2.96Å; A155-V162 HydrophobicContact CB-CB 3.64Å; A155-V162 HydrophobicContact CB-CG1 4.12Å
156I93.3Very high94.8Very high22 Ų2226.1 Ų26.111%0.11313%0.13CC..Hα-helixtrans-62.3-48.9173.6-67.5159.9000110.1A152 E153 L158 R159 P174 Q179 Y181 L317A152-I156 WeakPolarHBondContact O-CG1 3.45Å; A152-I156 PolarHBondContact O-N 3.14Å; A152-I156 VanDerWaalsContact O-N 3.11Å; E153-I156 PolarHBondContact O-N 3.49Å; I156-L158 PolarHBondContact O-N 3.42Å; I156-R159 PolarHBondContact O-N 3.25Å; I156-R159 VanDerWaalsContact O-N 3.07Å; I156-P174 HydrophobicContact CD1-CG 3.8Å; I156-P174 HydrophobicContact CG1-CG 4.26Å; I156-Q179 HydrophobicContact CG2-CB 4.35Å; I156-Y181 HydrophobicContact CD1-CD2 3.99Å; I156-Y181 HydrophobicContact CG1-CD2 3.84Å; I156-L317 HydrophobicContact CD1-CD1 3.42Å; I156-L317 VanDerWaalsContact CD1-CD1 3.42Å
157Y92.2Very high94.8Very high48 Ų4823.5 Ų23.519%0.18812%0.118CC..Hα-helixtrans-60.4-46.6-179.2-177.2-98.8000112.1E153 L154 R159 E322 A325 T332E153-Y157 WeakPolarHBondContact O-CB 3.29Å; E153-Y157 PolarHBondContact O-N 3.06Å; L154-Y157 PolarHBondContact O-N 2.98Å; Y157-R159 PolarHBondContact O-N 3.35Å; Y157-E322 HydrophobicContact CD2-CB 3.95Å; Y157-E322 HydrophobicContact CE1-CB 4.22Å; Y157-E322 HydrophobicContact CE1-CG 4.45Å; Y157-E322 HydrophobicContact CE2-CB 3.51Å; Y157-E322 HydrophobicContact CE2-CG 3.9Å; Y157-E322 HydrophobicContact CG-CB 4.48Å; Y157-E322 WeakPolarHBondContact OH-CG 3.42Å; Y157-A325 HydrophobicContact CD1-CB 3.52Å; Y157-A325 HydrophobicContact CE1-CB 3.45Å; Y157-A325 VanDerWaalsContact CE1-CB 3.45Å; Y157-T332 HydrophobicContact CE1-CG2 3.65Å; Y157-T332 HydrophobicContact CE2-CG2 4.22Å; Y157-T332 VanDerWaalsContact CZ-CG2 3.47Å; Y157-T332 VanDerWaalsContact OH-CG2 3.3Å; Y157-T332 WeakPolarHBondContact OH-CG2 3.32Å; Y157-T332 PolarHBondContact OH-OG1 3.43Å
158L93.1Very high94.8Very high13 Ų1324.1 Ų24.17%0.06812%0.121CC..THydrogen-bonded Turntrans-76.8-2.8177.7-64-178.5000113.8V28 I74 L154 I156 C160 A325 F330 R335V28-L158 HydrophobicContact CG2-CD1 4.42Å; I74-L158 HydrophobicContact CD1-CD1 3.62Å; L154-L158 HydrophobicContact CD1-CD1 3.75Å; L154-L158 HydrophobicContact CD1-CG 3.88Å; L154-L158 HydrophobicContact CG-CD1 3.9Å; L154-L158 HydrophobicContact CG-CG 4.32Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 WeakPolarHBondContact O-CG 3.33Å; L154-L158 PolarHBondContact O-N 2.71Å; I156-L158 PolarHBondContact O-N 3.42Å; L158-C160 VanDerWaalsContact C-N 3.3Å; L158-C160 PolarHBondContact O-N 3.12Å; L158-A325 HydrophobicContact CD2-CB 4.06Å; L158-F330 HydrophobicContact CD1-CD2 4.46Å; L158-F330 HydrophobicContact CD2-CB 3.88Å; L158-F330 HydrophobicContact CD2-CG 4.18Å; L158-R335 PolarHBondContact O-NH1 3.06Å
159R93.3Very high94.9Very high206 Ų20622.6 Ų22.678%0.77711%0.113SC*.THydrogen-bonded Turntrans5048.2-176.1-58.9-179.6-179.4161.71.1112.2A155 I156 Y157 D336A155-R159 WeakPolarHBondContact O-CA 3.23Å; A155-R159 PolarHBondContact O-N 3.21Å; I156-R159 PolarHBondContact O-N 3.25Å; I156-R159 VanDerWaalsContact O-N 3.07Å; Y157-R159 PolarHBondContact O-N 3.35Å; R159-D336 IonicContact NH1-OD1 2.67Å
160C95.9Very high95Very high7 Ų720.8 Ų20.85%0.04710%0.104CC..  trans-134.2164.4-177.269.50000111.1P26 A155 L158P26-C160 HydrophobicContact CB-CB 4.06Å; P26-C160 HydrophobicContact CG-CB 4.48Å; P26-C160 WeakPolarHBondContact O-CB 3.45Å; A155-C160 PolarHBondContact O-N 2.96Å; L158-C160 VanDerWaalsContact C-N 3.3Å; L158-C160 PolarHBondContact O-N 3.12Å
161P97.8Very high95Very high4 Ų418.5 Ų18.53%0.0269%0.092CC..  trans-68.7154.5176.5-24.237.6000113.3Y20 L27 V28 S182 I184Y20-P161 HydrophobicContact CE1-CG 4.31Å; L27-P161 HydrophobicContact CD1-CB 4.14Å; V28-P161 PolarHBondContact N-O 3.44Å; P161-S182 CarbonylContact C-O 3.56Å; P161-S182 WeakPolarHBondContact CA-O 3.06Å; P161-I184 HydrophobicContact CB-CD1 3.56Å; P161-I184 HydrophobicContact CB-CG1 4.08Å; P161-I184 HydrophobicContact CG-CD1 4.12Å
162V98.1Very high94.8Very high0 Ų019 Ų190%09%0.094CC..EExtended strand (participates in β ladder)trans-113.6146.1168.752.90000110.1V28 V151 A155 F169 Y181 S182 F183 I184V28-V162 CarbonylContact O-C 3.52Å; V28-V162 VanDerWaalsContact O-CA 3.28Å; V28-V162 WeakPolarHBondContact O-CA 3.41Å; V151-V162 HydrophobicContact CG1-CG2 3.51Å; A155-V162 HydrophobicContact CB-CB 3.64Å; A155-V162 HydrophobicContact CB-CG1 4.12Å; V162-F169 HydrophobicContact CG1-CD1 4.39Å; V162-F169 HydrophobicContact CG2-CD1 3.77Å; V162-F169 HydrophobicContact CG2-CE1 3.56Å; V162-Y181 HydrophobicContact CG1-CD2 4.37Å; V162-Y181 HydrophobicContact CG1-CE2 3.49Å; V162-Y181 VanDerWaalsContact CG1-CE2 3.49Å; V162-Y181 WeakPolarHBondContact CG1-OH 3.27Å; V162-S182 PolarHBondContact N-O 3.41Å; V162-F183 HydrophobicContact CG1-CB 4.42Å; V162-F183 HydrophobicContact CG1-CD2 4.2Å; V162-F183 WeakPolarHBondContact O-CD2 3.27Å; V162-I184 PolarHBondContact O-N 3.42Å
163T98.1Very high94.5Very high1 Ų119.8 Ų19.81%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-129.9137.1174.1-179.30000112.8L27 V28 I29 D30 I184 F186 I189L27-T163 HydrophobicContact CD1-CG2 3.83Å; L27-T163 HydrophobicContact CD2-CG2 3.88Å; L27-T163 HydrophobicContact CG-CG2 3.89Å; V28-T163 PolarHBondContact O-N 3.38Å; I29-T163 HydrophobicContact CB-CG2 4.19Å; I29-T163 HydrophobicContact CD1-CG2 4.46Å; I29-T163 HydrophobicContact CG1-CG2 3.68Å; I29-T163 HydrophobicContact CG2-CG2 4.18Å; D30-T163 PolarHBondContact N-O 2.88Å; D30-T163 VanDerWaalsContact N-O 3.15Å; T163-I184 WeakPolarHBondContact CA-O 3.47Å; T163-I184 VanDerWaalsContact CB-O 3.32Å; T163-I184 WeakPolarHBondContact CB-O 3.22Å; T163-I184 PolarHBondContact OG1-O 2.93Å; T163-F186 HydrophobicContact CG2-CD2 4.37Å; T163-F186 WeakPolarHBondContact OG1-CA 3.48Å; T163-F186 WeakPolarHBondContact OG1-CB 3.41Å; T163-F186 WeakPolarHBondContact OG1-CD2 3.33Å; T163-I189 HydrophobicContact CG2-CD1 4.18Å
164S97.4Very high94.1Very high3 Ų320.2 Ų20.22%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-157.9158.5172.1-175.20000108.9D30 D166 F183 F186D30-S164 PolarHBondContact OD2-OG 3.44Å; S164-D166 WeakPolarHBondContact OG-CB 3.29Å; S164-D166 PolarHBondContact OG-N 3.2Å; S164-F183 WeakPolarHBondContact O-CZ 3.46Å; S164-F186 PolarHBondContact O-N 3.42Å
165G94.6Very high93.3Very high43 Ų4323.2 Ų23.244%0.44312%0.116SC..SBendtrans-94.22.6164.100000113.1N33N33-G165 VanDerWaalsContact CG-N 3.28Å; N33-G165 VanDerWaalsContact ND2-C 3.34Å; N33-G165 VanDerWaalsContact OD1-CA 3.22Å; N33-G165 WeakPolarHBondContact OD1-CA 3.15Å; N33-G165 PolarHBondContact OD1-N 3.42Å
166D93.3Very high92.5Very high5 Ų526.9 Ų26.93%0.02714%0.135CC..  trans-77.6132.1171.4-159.6-50.1000110.3M1 G2 N33 S164 D168 F169M1-D166 VanDerWaalsContact C-CG 3.48Å; M1-D166 VanDerWaalsContact C-OD1 3.25Å; M1-D166 WeakPolarHBondContact CB-OD2 3.48Å; G2-D166 WeakPolarHBondContact CA-OD1 3.34Å; G2-D166 PolarHBondContact N-OD1 2.78Å; G2-D166 PolarHBondContact N-OD2 3.5Å; N33-D166 PolarHBondContact ND2-N 2.97Å; N33-D166 VanDerWaalsContact ND2-N 3.2Å; S164-D166 WeakPolarHBondContact OG-CB 3.29Å; S164-D166 PolarHBondContact OG-N 3.2Å; D166-D168 VanDerWaalsContact C-N 3.27Å; D166-D168 PolarHBondContact O-N 3.45Å; D166-D168 WeakPolarHBondContact OD1-CB 3.27Å; D166-D168 PolarHBondContact OD1-N 2.68Å; D166-F169 HydrophobicContact CB-CD2 3.94Å; D166-F169 HydrophobicContact CB-CE2 4.18Å
167S93.7Very high91.4Very high8 Ų832.6 Ų32.66%0.05616%0.161CC..G310 helixtrans-74.1-15-179.546.90000114.2M1 I3 F169 F170M1-S167 PolarHBondContact O-N 3.39Å; M1-S167 PolarHBondContact O-OG 2.95Å; M1-S167 VanDerWaalsContact O-OG 3.12Å; I3-S167 PolarHBondContact N-OG 3.15Å; I3-S167 PolarHBondContact O-OG 2.96Å; S167-F169 PolarHBondContact O-N 3.25Å; S167-F170 WeakPolarHBondContact O-CB 3.46Å; S167-F170 WeakPolarHBondContact O-CD2 3.27Å; S167-F170 PolarHBondContact O-N 3.39Å
168D93.5Very high90.4Very high16 Ų1637 Ų379%0.08619%0.188CC..G310 helixtrans-63.2-25.4175.1-75.3-16.9000112G2 I3 D166 F170 I171 Y172 Y315G2-D168 VanDerWaalsContact CA-CG 3.47Å; G2-D168 WeakPolarHBondContact CA-OD1 3.18Å; G2-D168 VanDerWaalsContact CA-OD2 3.27Å; G2-D168 WeakPolarHBondContact CA-OD2 3.41Å; I3-D168 PolarHBondContact N-OD1 3.26Å; D166-D168 VanDerWaalsContact C-N 3.27Å; D166-D168 PolarHBondContact O-N 3.45Å; D166-D168 WeakPolarHBondContact OD1-CB 3.27Å; D166-D168 PolarHBondContact OD1-N 2.68Å; D168-F170 PolarHBondContact O-N 2.8Å; D168-F170 VanDerWaalsContact O-N 3.16Å; D168-I171 WeakPolarHBondContact O-CA 3.32Å; D168-I171 VanDerWaalsContact O-CB 3.29Å; D168-I171 WeakPolarHBondContact O-CB 3.41Å; D168-I171 PolarHBondContact O-N 3.11Å; D168-Y172 HydrophobicContact CB-CE2 4.4Å; D168-Y172 PolarHBondContact O-N 3.26Å; D168-Y315 HydrophobicContact CB-CE1 3.82Å; D168-Y315 VanDerWaalsContact CG-OH 3.3Å; D168-Y315 PolarHBondContact OD1-OH 3.48Å
169F95.2Very high89.8Confident0 Ų040.8 Ų40.80%021%0.205CC..G310 helixtrans-67.2-11.6173.1-73.4-104.3000114.5D30 D148 V151 V162 D166 S167 I171 Y172 Y181 F183D30-F169 HydrophobicContact CB-CE2 4.47Å; D30-F169 HydrophobicContact CB-CZ 4.13Å; D148-F169 HydrophobicContact CB-CE2 4.25Å; D148-F169 HydrophobicContact CB-CZ 4.36Å; V151-F169 HydrophobicContact CB-CE1 3.94Å; V151-F169 HydrophobicContact CB-CZ 3.94Å; V151-F169 HydrophobicContact CG1-CE1 3.74Å; V151-F169 HydrophobicContact CG1-CZ 3.98Å; V151-F169 HydrophobicContact CG2-CZ 4.4Å; V162-F169 HydrophobicContact CG1-CD1 4.39Å; V162-F169 HydrophobicContact CG2-CD1 3.77Å; V162-F169 HydrophobicContact CG2-CE1 3.56Å; D166-F169 HydrophobicContact CB-CD2 3.94Å; D166-F169 HydrophobicContact CB-CE2 4.18Å; S167-F169 PolarHBondContact O-N 3.25Å; F169-I171 VanDerWaalsContact C-N 3.31Å; F169-Y172 HydrophobicContact CD1-CD2 4.25Å; F169-Y172 HydrophobicContact CD2-CE2 4.3Å; F169-Y172 HydrophobicContact CE2-CE2 4.42Å; F169-Y172 HydrophobicContact CG-CD2 4.2Å; F169-Y172 HydrophobicContact CG-CE2 4.39Å; F169-Y181 VanDerWaalsContact CD1-OH 3.3Å; F169-Y181 WeakPolarHBondContact CD1-OH 3.46Å; F169-Y181 WeakPolarHBondContact O-CE1 3.45Å; F169-Y181 PolarHBondContact O-OH 3.33Å; F169-F183 HydrophobicContact CB-CD1 4.14Å; F169-F183 HydrophobicContact CB-CD2 3.64Å; F169-F183 HydrophobicContact CB-CE1 3.82Å; F169-F183 HydrophobicContact CB-CE2 3.29Å; F169-F183 HydrophobicContact CB-CG 4.05Å; F169-F183 HydrophobicContact CB-CZ 3.4Å; F169-F183 VanDerWaalsContact CB-CZ 3.4Å; F169-F183 HydrophobicContact CD1-CD2 4.26Å; F169-F183 HydrophobicContact CD1-CE2 4.16Å; F169-F183 HydrophobicContact CG-CD2 4.3Å; F169-F183 AromaticContact CG-CE2 3.88Å; F169-F183 HydrophobicContact CG-CE2 3.88Å; F169-F183 HydrophobicContact CG-CZ 4.33Å
170F94.3Very high89.3Confident4 Ų435.6 Ų35.62%0.01820%0.196CC..G310 helixtrans-76.9-21.2167.1-68.9-68.8000112.8L6 W7 I10 S167 D168 R173 F183 P185 L218 F224L6-F170 HydrophobicContact CD2-CB 4.11Å; L6-F170 HydrophobicContact CD2-CD2 4.45Å; L6-F170 HydrophobicContact CG-CD2 4.49Å; W7-F170 HydrophobicContact CB-CE2 4.47Å; W7-F170 HydrophobicContact CD2-CE2 4.42Å; W7-F170 HydrophobicContact CD2-CZ 4.39Å; W7-F170 HydrophobicContact CE3-CE1 4.35Å; W7-F170 AromaticContact CE3-CE2 3.59Å; W7-F170 HydrophobicContact CE3-CE2 3.59Å; W7-F170 AromaticContact CE3-CZ 3.24Å; W7-F170 HydrophobicContact CE3-CZ 3.24Å; W7-F170 HydrophobicContact CZ3-CE1 4.27Å; W7-F170 HydrophobicContact CZ3-CE2 4.24Å; W7-F170 AromaticContact CZ3-CZ 3.43Å; W7-F170 HydrophobicContact CZ3-CZ 3.43Å; W7-F170 VanDerWaalsContact CZ3-CZ 3.43Å; I10-F170 HydrophobicContact CB-CE1 4.47Å; I10-F170 HydrophobicContact CG1-CD1 4.14Å; I10-F170 HydrophobicContact CG1-CD2 4.37Å; I10-F170 HydrophobicContact CG1-CE1 4.31Å; I10-F170 HydrophobicContact CG1-CG 4.19Å; I10-F170 HydrophobicContact CG2-CD1 4.36Å; I10-F170 HydrophobicContact CG2-CE1 3.88Å; I10-F170 HydrophobicContact CG2-CZ 4.27Å; S167-F170 WeakPolarHBondContact O-CB 3.46Å; S167-F170 WeakPolarHBondContact O-CD2 3.27Å; S167-F170 PolarHBondContact O-N 3.39Å; D168-F170 PolarHBondContact O-N 2.8Å; D168-F170 VanDerWaalsContact O-N 3.16Å; F170-R173 PolarHBondContact O-NH2 2.9Å; F170-F183 AromaticContact CD1-CD1 3.72Å; F170-F183 HydrophobicContact CD1-CD1 3.72Å; F170-F183 AromaticContact CD1-CE1 3.75Å; F170-F183 HydrophobicContact CD1-CE1 3.75Å; F170-F183 HydrophobicContact CD2-CE1 4.01Å; F170-F183 AromaticContact CE1-CD1 3.62Å; F170-F183 HydrophobicContact CE1-CD1 3.62Å; F170-F183 AromaticContact CE1-CE1 3.46Å; F170-F183 HydrophobicContact CE1-CE1 3.46Å; F170-F183 VanDerWaalsContact CE1-CE1 3.46Å; F170-F183 AromaticContact CE2-CE1 3.72Å; F170-F183 HydrophobicContact CE2-CE1 3.72Å; F170-F183 HydrophobicContact CG-CD1 4.27Å; F170-F183 AromaticContact CG-CE1 4Å; F170-F183 HydrophobicContact CG-CE1 4Å; F170-F183 HydrophobicContact CZ-CD1 4.09Å; F170-F183 AromaticContact CZ-CE1 3.42Å; F170-F183 HydrophobicContact CZ-CE1 3.42Å; F170-F183 VanDerWaalsContact CZ-CE1 3.42Å; F170-F183 HydrophobicContact CZ-CZ 4.43Å; F170-P185 HydrophobicContact CE1-CG 4.06Å; F170-P185 HydrophobicContact CZ-CB 4.37Å; F170-P185 HydrophobicContact CZ-CG 3.76Å; F170-L218 HydrophobicContact CD1-CD1 4.08Å; F170-L218 HydrophobicContact CD1-CD2 4.41Å; F170-L218 HydrophobicContact CE1-CD1 4.41Å; F170-F224 HydrophobicContact CB-CE1 3.98Å; F170-F224 HydrophobicContact CB-CZ 4.42Å; F170-F224 WeakPolarHBondContact O-CE1 3.45Å
171I94.1Very high89.1Confident2 Ų235.6 Ų35.61%0.0120%0.195CC..THydrogen-bonded Turntrans-92.1-36.4-173.7-51.3-55.6000111.3I3 L6 D168 F169 R173 F224 L232 P233 F235 A236 Y315I3-I171 HydrophobicContact CD1-CD1 3.6Å; I3-I171 HydrophobicContact CD1-CG1 3.43Å; I3-I171 VanDerWaalsContact CD1-CG1 3.43Å; L6-I171 HydrophobicContact CD2-CD1 3.77Å; L6-I171 HydrophobicContact CD2-CG1 4.33Å; D168-I171 WeakPolarHBondContact O-CA 3.32Å; D168-I171 VanDerWaalsContact O-CB 3.29Å; D168-I171 WeakPolarHBondContact O-CB 3.41Å; D168-I171 PolarHBondContact O-N 3.11Å; F169-I171 VanDerWaalsContact C-N 3.31Å; I171-R173 PolarHBondContact O-N 3.25Å; I171-R173 VanDerWaalsContact O-N 3.13Å; I171-F224 HydrophobicContact CD1-CZ 4.19Å; I171-L232 HydrophobicContact CD1-CD1 4.05Å; I171-L232 HydrophobicContact CD1-CG 4.39Å; I171-L232 HydrophobicContact CG2-CG 4.14Å; I171-L232 WeakPolarHBondContact O-CD2 3.49Å; I171-P233 HydrophobicContact CG2-CG 4.49Å; I171-F235 HydrophobicContact CD1-CD1 4.08Å; I171-F235 HydrophobicContact CD1-CE1 4.16Å; I171-A236 HydrophobicContact CD1-CB 4.21Å; I171-A236 HydrophobicContact CG1-CB 4.07Å; I171-A236 HydrophobicContact CG2-CB 4.02Å; I171-Y315 HydrophobicContact CB-CD1 3.64Å; I171-Y315 HydrophobicContact CB-CE1 3.68Å; I171-Y315 HydrophobicContact CB-CG 4.37Å; I171-Y315 HydrophobicContact CG1-CD1 4.48Å; I171-Y315 HydrophobicContact CG1-CE1 4.03Å; I171-Y315 HydrophobicContact CG2-CD1 3.36Å; I171-Y315 HydrophobicContact CG2-CD2 4.09Å; I171-Y315 HydrophobicContact CG2-CE1 3.7Å; I171-Y315 HydrophobicContact CG2-CE2 4.37Å; I171-Y315 HydrophobicContact CG2-CG 3.58Å
172Y92.4Very high88.9Confident10 Ų1036.8 Ų36.84%0.03920%0.203CC..  trans-55.8121.4176-63.9-49.9000110.8D148 I149 A152 D168 F169 Y181 Y315 L317D148-Y172 HydrophobicContact CB-CE2 4.02Å; D148-Y172 WeakPolarHBondContact CB-OH 3.23Å; I149-Y172 HydrophobicContact CG1-CE1 3.96Å; A152-Y172 HydrophobicContact CB-CD2 3.99Å; A152-Y172 HydrophobicContact CB-CG 4.11Å; D168-Y172 HydrophobicContact CB-CE2 4.4Å; D168-Y172 PolarHBondContact O-N 3.26Å; F169-Y172 HydrophobicContact CD1-CD2 4.25Å; F169-Y172 HydrophobicContact CD2-CE2 4.3Å; F169-Y172 HydrophobicContact CE2-CE2 4.42Å; F169-Y172 HydrophobicContact CG-CD2 4.2Å; F169-Y172 HydrophobicContact CG-CE2 4.39Å; Y172-Y181 VanDerWaalsContact O-CD1 3.28Å; Y172-Y181 WeakPolarHBondContact O-CD1 3.46Å; Y172-Y181 VanDerWaalsContact O-CE1 3.26Å; Y172-Y181 WeakPolarHBondContact O-CE1 3.37Å; Y172-Y315 HydrophobicContact CD1-CD1 4.03Å; Y172-Y315 AromaticContact CE1-CD1 3.71Å; Y172-Y315 HydrophobicContact CE1-CD1 3.71Å; Y172-Y315 HydrophobicContact CE1-CE1 4.5Å; Y172-Y315 HydrophobicContact CE1-CG 4.48Å; Y172-L317 HydrophobicContact CD1-CD2 3.75Å; Y172-L317 HydrophobicContact CE1-CD2 4.42Å; Y172-L317 HydrophobicContact CG-CD2 4.19Å
173R89Confident88.9Confident17 Ų1736.8 Ų36.86%0.06420%0.204CC..  trans-141.9139.4172.9-68.3-165.5176.4124.421.5109.2F170 I171 F224 L227 L232F170-R173 PolarHBondContact O-NH2 2.9Å; I171-R173 PolarHBondContact O-N 3.25Å; I171-R173 VanDerWaalsContact O-N 3.13Å; R173-F224 PolarHBondContact NH1-O 3.2Å; R173-F224 VanDerWaalsContact NH2-CD1 3.27Å; R173-L227 PolarHBondContact NH1-O 3.26Å; R173-L232 HydrophobicContact CB-CD2 4.45Å; R173-L232 VanDerWaalsContact CD-CD2 3.47Å; R173-L232 HydrophobicContact CG-CD2 3.71Å
174P85.7Confident88.9Confident14 Ų1436.8 Ų36.89%0.09120%0.203CC..  trans-59.7141.8168.7-18.730000110.3I156 D176 Q179I156-P174 HydrophobicContact CD1-CG 3.8Å; I156-P174 HydrophobicContact CG1-CG 4.26Å; P174-D176 VanDerWaalsContact C-N 3.34Å; P174-Q179 HydrophobicContact CB-CB 3.64Å; P174-Q179 HydrophobicContact CG-CB 3.83Å
175N79.1Confident88.8Confident63 Ų6336.8 Ų36.834%0.33720%0.203SC..SBendtrans-71.9-33.3170.6-72-13.4000111.4H177 Y229 L316N175-H177 PolarHBondContact O-N 3.36Å; N175-Y229 WeakPolarHBondContact OD1-CD1 3.44Å; N175-Y229 WeakPolarHBondContact OD1-CD2 3.3Å; N175-L316 WeakPolarHBondContact ND2-CD1 3.41Å
176D77.6Confident88.8Confident78 Ų7834.8 Ų34.842%0.41718%0.182SC..SBendtrans-75116.8172.9-177.80.9000110.3P174 N178 Q179P174-D176 VanDerWaalsContact C-N 3.34Å; D176-N178 PolarHBondContact O-N 3.48Å; D176-N178 WeakPolarHBondContact OD1-CB 3.36Å; D176-N178 PolarHBondContact OD1-N 2.84Å; D176-N178 PolarHBondContact OD1-ND2 3.46Å; D176-Q179 HydrophobicContact CB-CG 4.11Å; D176-Q179 PolarHBondContact O-N 3.4Å
177H71.1Confident88.8Confident143 Ų14337.4 Ų37.466%0.66220%0.201SC*.THydrogen-bonded Turntrans-65.6-16.4179.2-63.7-35.1000114N175 Q179N175-H177 PolarHBondContact O-N 3.36Å; H177-Q179 VanDerWaalsContact C-N 3.3Å
178N71.4Confident88.9Confident141 Ų14138.3 Ų38.375%0.75421%0.207SC*.THydrogen-bonded Turntrans-77.5-17.5173.8-65.2-41000112.9D176D176-N178 PolarHBondContact O-N 3.48Å; D176-N178 WeakPolarHBondContact OD1-CB 3.36Å; D176-N178 PolarHBondContact OD1-N 2.84Å; D176-N178 PolarHBondContact OD1-ND2 3.46Å
179Q80Confident89Confident92 Ų9238.1 Ų38.143%0.4321%0.206SC..SBendtrans-87.3130.3179.9-68.5-174.8-19.300111I156 P174 D176 H177I156-Q179 HydrophobicContact CG2-CB 4.35Å; P174-Q179 HydrophobicContact CB-CB 3.64Å; P174-Q179 HydrophobicContact CG-CB 3.83Å; D176-Q179 HydrophobicContact CB-CG 4.11Å; D176-Q179 PolarHBondContact O-N 3.4Å; H177-Q179 VanDerWaalsContact C-N 3.3Å
180V83.2Confident88.9Confident96 Ų9639.9 Ų39.958%0.58222%0.219SC*.  trans-95.9126.7179-178.10000109.6
181Y91.2Very high88.7Confident8 Ų842.3 Ų42.33%0.03123%0.231CC..  trans-108.3129.4168.9-179.6-107000110A152 I156 V162 F169 Y172 F183 N220A152-Y181 HydrophobicContact CB-CE2 3.81Å; I156-Y181 HydrophobicContact CD1-CD2 3.99Å; I156-Y181 HydrophobicContact CG1-CD2 3.84Å; V162-Y181 HydrophobicContact CG1-CD2 4.37Å; V162-Y181 HydrophobicContact CG1-CE2 3.49Å; V162-Y181 VanDerWaalsContact CG1-CE2 3.49Å; V162-Y181 WeakPolarHBondContact CG1-OH 3.27Å; F169-Y181 VanDerWaalsContact CD1-OH 3.3Å; F169-Y181 WeakPolarHBondContact CD1-OH 3.46Å; F169-Y181 WeakPolarHBondContact O-CE1 3.45Å; F169-Y181 PolarHBondContact O-OH 3.33Å; Y172-Y181 VanDerWaalsContact O-CD1 3.28Å; Y172-Y181 WeakPolarHBondContact O-CD1 3.46Å; Y172-Y181 VanDerWaalsContact O-CE1 3.26Å; Y172-Y181 WeakPolarHBondContact O-CE1 3.37Å; Y181-F183 HydrophobicContact CD1-CB 4.39Å; Y181-F183 HydrophobicContact CE1-CB 3.71Å; Y181-N220 PolarHBondContact O-ND2 3.02Å
182S94.5Very high88.7Confident28 Ų2847.5 Ų47.520%0.19626%0.259CS..  trans-124.496.4-172.5-730000109.9P161 V162P161-S182 CarbonylContact C-O 3.56Å; P161-S182 WeakPolarHBondContact CA-O 3.06Å; V162-S182 PolarHBondContact N-O 3.41Å
183F97.2Very high88.9Confident1 Ų148.5 Ų48.50%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-100.9123.5-178.8176.2-127.4000112.4V162 S164 F169 F170 Y181 P185 I217 L218V162-F183 HydrophobicContact CG1-CB 4.42Å; V162-F183 HydrophobicContact CG1-CD2 4.2Å; V162-F183 WeakPolarHBondContact O-CD2 3.27Å; S164-F183 WeakPolarHBondContact O-CZ 3.46Å; F169-F183 HydrophobicContact CB-CD1 4.14Å; F169-F183 HydrophobicContact CB-CD2 3.64Å; F169-F183 HydrophobicContact CB-CE1 3.82Å; F169-F183 HydrophobicContact CB-CE2 3.29Å; F169-F183 HydrophobicContact CB-CG 4.05Å; F169-F183 HydrophobicContact CB-CZ 3.4Å; F169-F183 VanDerWaalsContact CB-CZ 3.4Å; F169-F183 HydrophobicContact CD1-CD2 4.26Å; F169-F183 HydrophobicContact CD1-CE2 4.16Å; F169-F183 HydrophobicContact CG-CD2 4.3Å; F169-F183 AromaticContact CG-CE2 3.88Å; F169-F183 HydrophobicContact CG-CE2 3.88Å; F169-F183 HydrophobicContact CG-CZ 4.33Å; F170-F183 AromaticContact CD1-CD1 3.72Å; F170-F183 HydrophobicContact CD1-CD1 3.72Å; F170-F183 AromaticContact CD1-CE1 3.75Å; F170-F183 HydrophobicContact CD1-CE1 3.75Å; F170-F183 HydrophobicContact CD2-CE1 4.01Å; F170-F183 AromaticContact CE1-CD1 3.62Å; F170-F183 HydrophobicContact CE1-CD1 3.62Å; F170-F183 AromaticContact CE1-CE1 3.46Å; F170-F183 HydrophobicContact CE1-CE1 3.46Å; F170-F183 VanDerWaalsContact CE1-CE1 3.46Å; F170-F183 AromaticContact CE2-CE1 3.72Å; F170-F183 HydrophobicContact CE2-CE1 3.72Å; F170-F183 HydrophobicContact CG-CD1 4.27Å; F170-F183 AromaticContact CG-CE1 4Å; F170-F183 HydrophobicContact CG-CE1 4Å; F170-F183 HydrophobicContact CZ-CD1 4.09Å; F170-F183 AromaticContact CZ-CE1 3.42Å; F170-F183 HydrophobicContact CZ-CE1 3.42Å; F170-F183 VanDerWaalsContact CZ-CE1 3.42Å; F170-F183 HydrophobicContact CZ-CZ 4.43Å; Y181-F183 HydrophobicContact CD1-CB 4.39Å; Y181-F183 HydrophobicContact CE1-CB 3.71Å; F183-P185 HydrophobicContact CD1-CG 4.46Å; F183-P185 HydrophobicContact CE1-CG 4.1Å; F183-I217 WeakPolarHBondContact O-CA 3.22Å; F183-I217 WeakPolarHBondContact O-CG1 3.36Å; F183-L218 HydrophobicContact CB-CB 4.33Å; F183-L218 PolarHBondContact O-N 3.27Å
184I97.7Very high89.2Confident0 Ų053 Ų530%029%0.287CS..EExtended strand (participates in β ladder)trans-105.1113.2173.7-63.9172000107.7Y20 L22 L27 P161 V162 T163 F186 I189 C215 I217Y20-I184 HydrophobicContact CD1-CD1 3.9Å; Y20-I184 HydrophobicContact CE1-CD1 3.93Å; L22-I184 HydrophobicContact CD1-CD1 4.35Å; L27-I184 HydrophobicContact CD1-CD1 4.45Å; P161-I184 HydrophobicContact CB-CD1 3.56Å; P161-I184 HydrophobicContact CB-CG1 4.08Å; P161-I184 HydrophobicContact CG-CD1 4.12Å; V162-I184 PolarHBondContact O-N 3.42Å; T163-I184 WeakPolarHBondContact CA-O 3.47Å; T163-I184 VanDerWaalsContact CB-O 3.32Å; T163-I184 WeakPolarHBondContact CB-O 3.22Å; T163-I184 PolarHBondContact OG1-O 2.93Å; I184-F186 PolarHBondContact O-N 3.15Å; I184-I189 HydrophobicContact CG2-CD1 3.85Å; I184-I189 HydrophobicContact CG2-CG1 3.61Å; I184-C215 HydrophobicContact CG2-CB 4.13Å; I184-I217 HydrophobicContact CG1-CB 4.29Å; I184-I217 HydrophobicContact CG1-CD1 4.3Å; I184-I217 HydrophobicContact CG1-CG1 4.13Å
185P96Very high89.7Confident3 Ų358.4 Ų58.42%0.01931%0.311CS..EExtended strand (participates in β ladder)trans-61.5126172.5-22.634.6000109.6W7 L17 F170 F183 S187 S188 T216W7-P185 HydrophobicContact CE3-CB 4.37Å; W7-P185 HydrophobicContact CE3-CG 4.43Å; W7-P185 HydrophobicContact CH2-CB 3.31Å; W7-P185 HydrophobicContact CH2-CG 3.56Å; W7-P185 HydrophobicContact CZ2-CB 3.97Å; W7-P185 HydrophobicContact CZ3-CB 3.57Å; W7-P185 HydrophobicContact CZ3-CG 3.45Å; W7-P185 VanDerWaalsContact CZ3-CG 3.45Å; L17-P185 HydrophobicContact CD2-CG 4.29Å; F170-P185 HydrophobicContact CE1-CG 4.06Å; F170-P185 HydrophobicContact CZ-CB 4.37Å; F170-P185 HydrophobicContact CZ-CG 3.76Å; F183-P185 HydrophobicContact CD1-CG 4.46Å; F183-P185 HydrophobicContact CE1-CG 4.1Å; P185-S187 VanDerWaalsContact C-N 3.25Å; P185-S187 PolarHBondContact O-N 2.97Å; P185-S187 VanDerWaalsContact O-N 3.17Å; P185-S188 WeakPolarHBondContact O-CB 3.42Å; P185-S188 PolarHBondContact O-N 3.25Å; P185-S188 PolarHBondContact O-OG 3.43Å; P185-T216 WeakPolarHBondContact CD-O 3.1Å
186F95Very high90.3Very high2 Ų258.4 Ų58.41%0.00931%0.307CS..G310 helixtrans-59.2-38.1-169-174.8-136.8000113F34 F37 F62 T163 S164 I184 S188 I189F34-F186 HydrophobicContact CB-CE1 4.35Å; F34-F186 AromaticContact CD2-CE1 3.53Å; F34-F186 HydrophobicContact CD2-CE1 3.53Å; F34-F186 AromaticContact CD2-CE2 3.68Å; F34-F186 HydrophobicContact CD2-CE2 3.68Å; F34-F186 AromaticContact CD2-CZ 3.11Å; F34-F186 HydrophobicContact CD2-CZ 3.11Å; F34-F186 HydrophobicContact CE2-CE1 4.11Å; F34-F186 AromaticContact CE2-CE2 3.86Å; F34-F186 HydrophobicContact CE2-CE2 3.86Å; F34-F186 AromaticContact CE2-CZ 3.3Å; F34-F186 HydrophobicContact CE2-CZ 3.3Å; F34-F186 HydrophobicContact CG-CE1 4.13Å; F34-F186 HydrophobicContact CG-CZ 4.11Å; F34-F186 HydrophobicContact CZ-CZ 4.42Å; F37-F186 HydrophobicContact CB-CD1 3.64Å; F37-F186 HydrophobicContact CB-CE1 3.67Å; F37-F186 AromaticContact CD1-CD1 3.37Å; F37-F186 HydrophobicContact CD1-CD1 3.37Å; F37-F186 AromaticContact CD1-CE1 2.98Å; F37-F186 HydrophobicContact CD1-CE1 2.98Å; F37-F186 HydrophobicContact CD1-CG 4.49Å; F37-F186 AromaticContact CD1-CZ 3.83Å; F37-F186 HydrophobicContact CD1-CZ 3.83Å; F37-F186 AromaticContact CD2-CD1 3.93Å; F37-F186 HydrophobicContact CD2-CD1 3.93Å; F37-F186 HydrophobicContact CD2-CE1 4.38Å; F37-F186 AromaticContact CE1-CD1 3.91Å; F37-F186 HydrophobicContact CE1-CD1 3.91Å; F37-F186 AromaticContact CE1-CE1 3.62Å; F37-F186 HydrophobicContact CE1-CE1 3.62Å; F37-F186 HydrophobicContact CE1-CZ 4.12Å; F37-F186 HydrophobicContact CE2-CD1 4.44Å; F37-F186 AromaticContact CG-CD1 3.34Å; F37-F186 HydrophobicContact CG-CD1 3.34Å; F37-F186 AromaticContact CG-CE1 3.42Å; F37-F186 HydrophobicContact CG-CE1 3.42Å; F37-F186 VanDerWaalsContact CG-CE1 3.42Å; F37-F186 HydrophobicContact CZ-CD1 4.42Å; F62-F186 HydrophobicContact CE1-CE2 4.23Å; F62-F186 HydrophobicContact CE1-CZ 4.19Å; F62-F186 HydrophobicContact CZ-CZ 4.14Å; T163-F186 HydrophobicContact CG2-CD2 4.37Å; T163-F186 WeakPolarHBondContact OG1-CA 3.48Å; T163-F186 WeakPolarHBondContact OG1-CB 3.41Å; T163-F186 WeakPolarHBondContact OG1-CD2 3.33Å; S164-F186 PolarHBondContact O-N 3.42Å; I184-F186 PolarHBondContact O-N 3.15Å; F186-S188 PolarHBondContact O-N 2.92Å; F186-I189 HydrophobicContact CD2-CD1 3.9Å; F186-I189 HydrophobicContact CD2-CG1 4.35Å; F186-I189 HydrophobicContact CE2-CD1 4.31Å; F186-I189 WeakPolarHBondContact O-CB 3.45Å; F186-I189 PolarHBondContact O-N 2.98Å
187S93.2Very high91Very high59 Ų5960.2 Ų60.241%0.41333%0.326SS..G310 helixtrans-60.7-13.9175.663.70000115.1W7 P185W7-S187 VanDerWaalsContact CZ2-OG 3.28Å; W7-S187 WeakPolarHBondContact CZ2-OG 3.35Å; P185-S187 VanDerWaalsContact C-N 3.25Å; P185-S187 PolarHBondContact O-N 2.97Å; P185-S187 VanDerWaalsContact O-N 3.17Å
188S95.1Very high92Very high27 Ų2758.4 Ų58.419%0.18933%0.326CS..G310 helixtrans-87.7-13.4175.676.30000113.8P185 F186 S190 C215 T216P185-S188 WeakPolarHBondContact O-CB 3.42Å; P185-S188 PolarHBondContact O-N 3.25Å; P185-S188 PolarHBondContact O-OG 3.43Å; F186-S188 PolarHBondContact O-N 2.92Å; S188-S190 PolarHBondContact O-N 3.34Å; S188-C215 VanDerWaalsContact O-CA 3.25Å; S188-C215 WeakPolarHBondContact O-CA 3.48Å; S188-C215 WeakPolarHBondContact O-CB 3.27Å; S188-T216 WeakPolarHBondContact CB-OG1 3.45Å; S188-T216 PolarHBondContact OG-N 3.05Å; S188-T216 PolarHBondContact OG-O 3.27Å; S188-T216 PolarHBondContact OG-OG1 3.37Å
189I96Very high92.9Very high13 Ų1354.2 Ų54.27%0.06731%0.307CS..SBendtrans-73.9116.1-179.9-58.6-169.3000109.4L22 L27 F62 F66 T163 I184 F186 I213 C215L22-I189 HydrophobicContact CD2-CD1 4.48Å; L27-I189 HydrophobicContact CD2-CD1 4.28Å; F62-I189 HydrophobicContact CE1-CG2 4.49Å; F66-I189 HydrophobicContact CE1-CG2 4.4Å; T163-I189 HydrophobicContact CG2-CD1 4.18Å; I184-I189 HydrophobicContact CG2-CD1 3.85Å; I184-I189 HydrophobicContact CG2-CG1 3.61Å; F186-I189 HydrophobicContact CD2-CD1 3.9Å; F186-I189 HydrophobicContact CD2-CG1 4.35Å; F186-I189 HydrophobicContact CE2-CD1 4.31Å; F186-I189 WeakPolarHBondContact O-CB 3.45Å; F186-I189 PolarHBondContact O-N 2.98Å; I189-I213 HydrophobicContact CG2-CG2 3.7Å; I189-C215 HydrophobicContact CG1-CB 4.15Å
190S93.3Very high93.5Very high37 Ų3750.9 Ų50.926%0.25929%0.294SS..  trans-64.4141.7174.1176.90000111.6S188 D192 I213 S214S188-S190 PolarHBondContact O-N 3.34Å; S190-D192 PolarHBondContact O-N 3.14Å; S190-D192 PolarHBondContact OG-N 2.81Å; S190-D192 VanDerWaalsContact OG-N 3.14Å; S190-D192 PolarHBondContact OG-O 2.85Å; S190-I213 VanDerWaalsContact O-CG2 3.24Å; S190-I213 WeakPolarHBondContact O-CG2 3.44Å; S190-S214 VanDerWaalsContact CB-O 3.29Å; S190-S214 WeakPolarHBondContact CB-O 3.03Å; S190-S214 PolarHBondContact N-O 3.32Å; S190-S214 VanDerWaalsContact N-O 3.12Å
191L90.1Very high93.9Very high55 Ų5550.2 Ų50.229%0.28829%0.293SS..SBendtrans-79.5-6.1172.8-163.962.6000112.9Y58 F62 Q65Y58-L191 HydrophobicContact CE2-CD2 3.84Å; F62-L191 HydrophobicContact CD1-CD1 3.74Å; F62-L191 HydrophobicContact CD2-CD1 3.54Å; F62-L191 HydrophobicContact CE1-CD1 3.68Å; F62-L191 HydrophobicContact CE2-CD1 3.48Å; F62-L191 VanDerWaalsContact CE2-CD1 3.48Å; F62-L191 HydrophobicContact CG-CD1 3.68Å; F62-L191 HydrophobicContact CZ-CD1 3.56Å; Q65-L191 WeakPolarHBondContact CG-O 3.48Å
192D93.7Very high93.8Very high111 Ų11152.8 Ų52.859%0.59431%0.307SS*.SBendtrans-118.9133.9177.9-62-57.3000110.8S190S190-D192 PolarHBondContact O-N 3.14Å; S190-D192 PolarHBondContact OG-N 2.81Å; S190-D192 VanDerWaalsContact OG-N 3.14Å; S190-D192 PolarHBondContact OG-O 2.85Å
193C95.7Very high93.7Very high31 Ų3151.5 Ų51.521%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-80.1152.9169.668.20000111.7Q65 I68 C69 Y211 F212Q65-C193 PolarHBondContact OE1-SG 2.89Å; I68-C193 HydrophobicContact CG2-CB 4.42Å; C69-C193 WeakPolarHBondContact SG-CB 3.36Å; C193-Y211 HydrophobicContact CB-CD1 4.49Å; C193-F212 CarbonylContact C-O 3.57Å; C193-F212 WeakPolarHBondContact CA-O 3.42Å
194K96.3Very high93.4Very high111 Ų11158.9 Ų58.948%0.48333%0.33SS..EExtended strand (participates in β ladder)trans-119.6143.2173.2-63.7178.8-172.1161.90109.9Y211 F212 S214K194-Y211 CarbonylContact O-C 3.48Å; K194-Y211 VanDerWaalsContact O-CA 3.26Å; K194-Y211 WeakPolarHBondContact O-CA 3.43Å; K194-F212 HydrophobicContact CB-CD1 4.3Å; K194-F212 HydrophobicContact CB-CE1 3.74Å; K194-F212 HydrophobicContact CB-CE2 4.37Å; K194-F212 HydrophobicContact CB-CZ 3.8Å; K194-F212 HydrophobicContact CD-CE2 4.49Å; K194-F212 HydrophobicContact CD-CZ 4.19Å; K194-F212 PolarHBondContact N-O 3.38Å; K194-F212 VanDerWaalsContact O-CD1 3.22Å; K194-F212 WeakPolarHBondContact O-CD1 3.37Å; K194-F212 PolarHBondContact O-N 2.86Å; K194-S214 WeakPolarHBondContact CD-OG 3.36Å; K194-S214 PolarHBondContact NZ-OG 2.93Å; K194-S214 VanDerWaalsContact NZ-OG 3.09Å
195E95.7Very high93Very high128 Ų12868.3 Ų68.360%0.59837%0.365SS*.EExtended strand (participates in β ladder)trans-71.7132.6172.6-167.2173.4-172.700109.9C210 Y211E195-C210 CarbonylContact C-O 3.5Å; E195-C210 WeakPolarHBondContact CA-O 3.12Å; E195-Y211 HydrophobicContact CB-CD1 4.01Å; E195-Y211 HydrophobicContact CB-CE1 3.73Å; E195-Y211 HydrophobicContact CG-CE1 4.18Å
196R93.1Very high92.6Very high62 Ų6271 Ų7123%0.23439%0.394CS..  trans-88.6122.7176.1-168.1-175.5-86.21740.2109.3E21 P198 C210 F212E21-R196 IonicContact OE2-CZ 3.12Å; E21-R196 IonicContact OE2-NE 2.86Å; E21-R196 PolarHBondContact OE2-NE 3.42Å; E21-R196 IonicContact OE2-NH2 2.75Å; E21-R196 PolarHBondContact OE2-NH2 2.83Å; R196-P198 WeakPolarHBondContact CG-O 3.39Å; R196-P198 CarbonylContact O-C 3.59Å; R196-C210 HydrophobicContact CB-CB 4.19Å; R196-C210 PolarHBondContact N-O 3.1Å; R196-F212 HydrophobicContact CB-CD1 3.91Å; R196-F212 HydrophobicContact CB-CE1 4.24Å; R196-F212 HydrophobicContact CG-CD1 4.47Å
197S91.4Very high92.2Very high117 Ų11774.5 Ų74.582%0.81843%0.43SS*.SBendtrans-126.1118.1171.2-171.80000110.1
198P91.1Very high91.8Very high104 Ų10473.5 Ų73.568%0.67543%0.425SS*.SBendcis-74.7155.50.332.2-35.7000113R196R196-P198 WeakPolarHBondContact CG-O 3.39Å; R196-P198 CarbonylContact O-C 3.59Å
199P92Very high91.6Very high54 Ų5474.7 Ų74.735%0.35144%0.437SS..PPolyproline II helixtrans-63153.3176.327.3-35.6000111.8C203 K204 C210P199-C203 HydrophobicContact CB-CB 4.3Å; P199-K204 HydrophobicContact CG-CB 4.21Å; P199-C210 HydrophobicContact CB-CB 3.56Å
200C92.1Very high91.6Very high22 Ų2274.1 Ų74.115%0.14943%0.434CS..PPolyproline II helixtrans-64.5160.9175.482.20000111.5H23 I202 C203 K204 C210H23-C200 PolarHBondContact NE2-SG 3.2Å; H23-C200 VanDerWaalsContact NE2-SG 3.36Å; C200-I202 PolarHBondContact O-N 3.38Å; C200-C203 PolarHBondContact O-N 3.1Å; C200-C203 PolarHBondContact SG-N 3.44Å; C200-K204 VanDerWaalsContact O-CB 3.29Å; C200-K204 WeakPolarHBondContact O-CB 3.49Å; C200-K204 PolarHBondContact O-N 3.25Å; C200-C210 PolarHBondContact N-SG 3.09Å; C200-C210 VanDerWaalsContact N-SG 3.39Å
201S91.6Very high91.8Very high81 Ų8175.9 Ų75.957%0.56644%0.436SS*.Hα-helixtrans-58.8-30.8-177.859.30000113.8R205S201-R205 WeakPolarHBondContact O-CB 3.47Å; S201-R205 VanDerWaalsContact O-CG 3.29Å; S201-R205 WeakPolarHBondContact O-CG 3.3Å; S201-R205 PolarHBondContact O-N 3.22Å; S201-R205 PolarHBondContact O-NE 3.44Å; S201-R205 VanDerWaalsContact O-NE 3.12Å
202I89.1Confident92.1Very high63 Ų6374.1 Ų74.132%0.32343%0.426SS..Hα-helixtrans-73-51.9177.2-60.5171000110.3C200 K204 R205 G206C200-I202 PolarHBondContact O-N 3.38Å; I202-K204 PolarHBondContact O-N 3.3Å; I202-R205 PolarHBondContact O-N 3.01Å; I202-G206 PolarHBondContact O-N 3.07Å
203C91.8Very high92.3Very high0 Ų068.9 Ų68.90%040%0.398CS..Hα-helixtrans-61.9-41.9177.7-71.90000112.2P199 C200 R205 G206 G207 A208 C210P199-C203 HydrophobicContact CB-CB 4.3Å; C200-C203 PolarHBondContact O-N 3.1Å; C200-C203 PolarHBondContact SG-N 3.44Å; C203-R205 VanDerWaalsContact C-N 3.35Å; C203-R205 PolarHBondContact O-N 2.91Å; C203-G206 CarbonylContact O-C 3.52Å; C203-G206 PolarHBondContact O-N 3.39Å; C203-G207 PolarHBondContact O-N 3.01Å; C203-A208 PolarHBondContact O-N 3.46Å; C203-C210 HydrophobicContact CB-CB 3.65Å; C203-C210 VanDerWaalsContact SG-SG 3.62Å
204K91Very high92.4Very high157 Ų15768.8 Ų68.868%0.68340%0.397SS*.Hα-helixtrans-58.7-44.4176.3-172.6179.1-179.6-1800111.8P199 C200 I202 G206 G207P199-K204 HydrophobicContact CG-CB 4.21Å; C200-K204 VanDerWaalsContact O-CB 3.29Å; C200-K204 WeakPolarHBondContact O-CB 3.49Å; C200-K204 PolarHBondContact O-N 3.25Å; I202-K204 PolarHBondContact O-N 3.3Å; K204-G206 VanDerWaalsContact C-N 3.34Å; K204-G207 PolarHBondContact O-N 2.8Å
205R90.1Very high92.5Very high197 Ų19764 Ų6474%0.74338%0.378SS*.Hα-helixtrans-66.1-35.3176.5-77.9-176.9-69.8-175.33.2112.7S201 I202 C203 G207S201-R205 WeakPolarHBondContact O-CB 3.47Å; S201-R205 VanDerWaalsContact O-CG 3.29Å; S201-R205 WeakPolarHBondContact O-CG 3.3Å; S201-R205 PolarHBondContact O-N 3.22Å; S201-R205 PolarHBondContact O-NE 3.44Å; S201-R205 VanDerWaalsContact O-NE 3.12Å; I202-R205 PolarHBondContact O-N 3.01Å; C203-R205 VanDerWaalsContact C-N 3.35Å; C203-R205 PolarHBondContact O-N 2.91Å; R205-G207 VanDerWaalsContact C-N 3.35Å
206G87.2Confident92.5Very high61 Ų6159.7 Ų59.763%0.62936%0.36SS*.Hα-helixtrans-82.6-4.2177.900000115.3I202 C203 K204 A208I202-G206 PolarHBondContact O-N 3.07Å; C203-G206 CarbonylContact O-C 3.52Å; C203-G206 PolarHBondContact O-N 3.39Å; K204-G206 VanDerWaalsContact C-N 3.34Å; G206-A208 PolarHBondContact O-N 3.12Å; G206-A208 VanDerWaalsContact O-N 3.17Å
207G86.7Confident92.7Very high74 Ų7457.6 Ų57.676%0.76335%0.353SS*.THydrogen-bonded Turntrans64.913-17600000114.9C203 K204 R205C203-G207 PolarHBondContact O-N 3.01Å; K204-G207 PolarHBondContact O-N 2.8Å; R205-G207 VanDerWaalsContact C-N 3.35Å
208A84.7Confident92.9Very high38 Ų3852.3 Ų52.331%0.31432%0.316SS..  trans-96.3148.3-176.200000111.3C203 G206C203-A208 PolarHBondContact O-N 3.46Å; G206-A208 PolarHBondContact O-N 3.12Å; G206-A208 VanDerWaalsContact O-N 3.17Å
209A90.8Very high93Very high52 Ų5249.1 Ų49.143%0.4329%0.293SS..  trans-56.8141170.200000110.7Y211A209-Y211 HydrophobicContact CB-CD2 4.09Å; A209-Y211 HydrophobicContact CB-CE2 3.38Å
210C95.9Very high92.9Very high1 Ų149 Ų491%0.00729%0.289CS..  trans-108.8114-175.2-170.60000108.3E195 R196 P199 C200 C203E195-C210 CarbonylContact C-O 3.5Å; E195-C210 WeakPolarHBondContact CA-O 3.12Å; R196-C210 HydrophobicContact CB-CB 4.19Å; R196-C210 PolarHBondContact N-O 3.1Å; P199-C210 HydrophobicContact CB-CB 3.56Å; C200-C210 PolarHBondContact N-SG 3.09Å; C200-C210 VanDerWaalsContact N-SG 3.39Å; C203-C210 HydrophobicContact CB-CB 3.65Å; C203-C210 VanDerWaalsContact SG-SG 3.62Å
211Y97Very high92.8Very high74 Ų7452.7 Ų52.729%0.2932%0.316SS..EExtended strand (participates in β ladder)trans-119.5149179.9-67.3-87.3000111.2H23 I68 C193 K194 E195 A209H23-Y211 PolarHBondContact ND1-O 3.38Å; I68-Y211 HydrophobicContact CG2-CD1 4.36Å; I68-Y211 HydrophobicContact CG2-CD2 3.72Å; I68-Y211 HydrophobicContact CG2-CE2 4.39Å; I68-Y211 HydrophobicContact CG2-CG 3.7Å; C193-Y211 HydrophobicContact CB-CD1 4.49Å; K194-Y211 CarbonylContact O-C 3.48Å; K194-Y211 VanDerWaalsContact O-CA 3.26Å; K194-Y211 WeakPolarHBondContact O-CA 3.43Å; E195-Y211 HydrophobicContact CB-CD1 4.01Å; E195-Y211 HydrophobicContact CB-CE1 3.73Å; E195-Y211 HydrophobicContact CG-CE1 4.18Å; A209-Y211 HydrophobicContact CB-CD2 4.09Å; A209-Y211 HydrophobicContact CB-CE2 3.38Å
212F97.4Very high92.8Very high19 Ų1949 Ų498%0.08329%0.29CS..EExtended strand (participates in β ladder)trans-135.2155.4173.869.6-81.7000111.2E21 L22 H23 C193 K194 R196 S214E21-F212 HydrophobicContact CB-CB 4.08Å; E21-F212 HydrophobicContact CB-CD2 3.59Å; E21-F212 HydrophobicContact CB-CE2 4.23Å; E21-F212 HydrophobicContact CB-CG 3.99Å; E21-F212 HydrophobicContact CG-CD2 3.48Å; E21-F212 VanDerWaalsContact CG-CD2 3.48Å; E21-F212 HydrophobicContact CG-CE2 3.59Å; E21-F212 HydrophobicContact CG-CG 4.13Å; E21-F212 HydrophobicContact CG-CZ 4.33Å; L22-F212 WeakPolarHBondContact O-CA 3.49Å; H23-F212 HydrophobicContact CB-CB 3.99Å; C193-F212 CarbonylContact C-O 3.57Å; C193-F212 WeakPolarHBondContact CA-O 3.42Å; K194-F212 HydrophobicContact CB-CD1 4.3Å; K194-F212 HydrophobicContact CB-CE1 3.74Å; K194-F212 HydrophobicContact CB-CE2 4.37Å; K194-F212 HydrophobicContact CB-CZ 3.8Å; K194-F212 HydrophobicContact CD-CE2 4.49Å; K194-F212 HydrophobicContact CD-CZ 4.19Å; K194-F212 PolarHBondContact N-O 3.38Å; K194-F212 VanDerWaalsContact O-CD1 3.22Å; K194-F212 WeakPolarHBondContact O-CD1 3.37Å; K194-F212 PolarHBondContact O-N 2.86Å; R196-F212 HydrophobicContact CB-CD1 3.91Å; R196-F212 HydrophobicContact CB-CE1 4.24Å; R196-F212 HydrophobicContact CG-CD1 4.47Å; F212-S214 VanDerWaalsContact CE2-OG 3.3Å; F212-S214 WeakPolarHBondContact CE2-OG 3.48Å
213I98Very high92.9Very high1 Ų147.6 Ų47.61%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-95123.7168.3-62.8162.2000108L22 Q65 F66 C69 I189 S190L22-I213 HydrophobicContact CB-CB 4.23Å; L22-I213 HydrophobicContact CD2-CB 4.46Å; L22-I213 HydrophobicContact CD2-CD1 4.35Å; L22-I213 PolarHBondContact N-O 3.42Å; L22-I213 PolarHBondContact O-N 3.34Å; Q65-I213 HydrophobicContact CB-CD1 4.05Å; Q65-I213 HydrophobicContact CB-CG1 4.46Å; F66-I213 HydrophobicContact CD1-CD1 3.45Å; F66-I213 VanDerWaalsContact CD1-CD1 3.45Å; F66-I213 HydrophobicContact CE1-CD1 3.79Å; C69-I213 HydrophobicContact CB-CD1 4.39Å; C69-I213 HydrophobicContact CB-CG1 4.25Å; I189-I213 HydrophobicContact CG2-CG2 3.7Å; S190-I213 VanDerWaalsContact O-CG2 3.24Å; S190-I213 WeakPolarHBondContact O-CG2 3.44Å
214S97.6Very high93Very high29 Ų2947.7 Ų47.720%0.20329%0.286CS..EExtended strand (participates in β ladder)trans-72130.1172.6-60.20000109.9S190 K194 F212S190-S214 VanDerWaalsContact CB-O 3.29Å; S190-S214 WeakPolarHBondContact CB-O 3.03Å; S190-S214 PolarHBondContact N-O 3.32Å; S190-S214 VanDerWaalsContact N-O 3.12Å; K194-S214 WeakPolarHBondContact CD-OG 3.36Å; K194-S214 PolarHBondContact NZ-OG 2.93Å; K194-S214 VanDerWaalsContact NZ-OG 3.09Å; F212-S214 VanDerWaalsContact CE2-OG 3.3Å; F212-S214 WeakPolarHBondContact CE2-OG 3.48Å
215C97.4Very high93Very high10 Ų1043.3 Ų43.37%0.06827%0.265CS..EExtended strand (participates in β ladder)trans-151.7-172.217164.80000112Y20 I184 S188 I189Y20-C215 PolarHBondContact N-O 3.43Å; Y20-C215 PolarHBondContact O-N 3.44Å; I184-C215 HydrophobicContact CG2-CB 4.13Å; S188-C215 VanDerWaalsContact O-CA 3.25Å; S188-C215 WeakPolarHBondContact O-CA 3.48Å; S188-C215 WeakPolarHBondContact O-CB 3.27Å; I189-C215 HydrophobicContact CG1-CB 4.15Å
216T97.2Very high93.1Very high37 Ų3740.9 Ų40.923%0.22726%0.26CS..EExtended strand (participates in β ladder)trans-119.3147.2171.360.30000110.8S18 P185 S188S18-T216 CarbonylContact O-C 3.5Å; S18-T216 VanDerWaalsContact O-CA 3.26Å; S18-T216 WeakPolarHBondContact O-CA 3.49Å; P185-T216 WeakPolarHBondContact CD-O 3.1Å; S188-T216 WeakPolarHBondContact CB-OG1 3.45Å; S188-T216 PolarHBondContact OG-N 3.05Å; S188-T216 PolarHBondContact OG-O 3.27Å; S188-T216 PolarHBondContact OG-OG1 3.37Å
217I97Very high93.3Very high18 Ų1838.2 Ų38.29%0.09223%0.231CC..EExtended strand (participates in β ladder)trans-122149.3177-166.7163.9000109.7L17 S18 Y20 F183 I184 N219L17-I217 CarbonylContact C-O 3.56Å; L17-I217 WeakPolarHBondContact CA-O 3.38Å; S18-I217 PolarHBondContact N-O 3.39Å; S18-I217 PolarHBondContact O-N 3.29Å; Y20-I217 HydrophobicContact CD2-CB 4.29Å; Y20-I217 HydrophobicContact CD2-CD1 4.01Å; Y20-I217 HydrophobicContact CD2-CG2 4Å; Y20-I217 HydrophobicContact CE2-CD1 4.06Å; Y20-I217 HydrophobicContact CG-CB 4.13Å; Y20-I217 HydrophobicContact CG-CD1 4.37Å; Y20-I217 HydrophobicContact CG-CG2 4.18Å; F183-I217 WeakPolarHBondContact O-CA 3.22Å; F183-I217 WeakPolarHBondContact O-CG1 3.36Å; I184-I217 HydrophobicContact CG1-CB 4.29Å; I184-I217 HydrophobicContact CG1-CD1 4.3Å; I184-I217 HydrophobicContact CG1-CG1 4.13Å; I217-N219 PolarHBondContact O-N 3.1Å
218L95.4Very high93.3Very high6 Ų639.8 Ų39.83%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-55.5123.7171-17962.1000110F170 F183 N220 F224F170-L218 HydrophobicContact CD1-CD1 4.08Å; F170-L218 HydrophobicContact CD1-CD2 4.41Å; F170-L218 HydrophobicContact CE1-CD1 4.41Å; F183-L218 HydrophobicContact CB-CB 4.33Å; F183-L218 PolarHBondContact O-N 3.27Å; L218-N220 PolarHBondContact O-N 3.39Å; L218-F224 HydrophobicContact CD1-CD1 4.36Å
219N94.3Very high93.3Very high38 Ų3840 Ų4020%0.20321%0.21CC..  trans-79.9111.9-179.9-175.84.5000110.3D15 N16 S18 I217 S221 G222D15-N219 WeakPolarHBondContact O-CB 3.45Å; D15-N219 PolarHBondContact O-ND2 3.17Å; N16-N219 WeakPolarHBondContact O-CB 3.29Å; N16-N219 PolarHBondContact O-N 3.22Å; S18-N219 WeakPolarHBondContact OG-CB 3.47Å; S18-N219 VanDerWaalsContact OG-CG 3.3Å; I217-N219 PolarHBondContact O-N 3.1Å; N219-S221 PolarHBondContact O-N 2.9Å; N219-S221 VanDerWaalsContact O-N 3.07Å; N219-S221 PolarHBondContact OD1-N 3.24Å; N219-G222 PolarHBondContact O-N 2.82Å
220N88.2Confident93.1Very high50 Ų5038.4 Ų38.427%0.26720%0.195SC..THydrogen-bonded Turntrans-69.8-0.3178-66.8-16000114Y181 L218 Y225Y181-N220 PolarHBondContact O-ND2 3.02Å; L218-N220 PolarHBondContact O-N 3.39Å; N220-Y225 HydrophobicContact CB-CD2 4.12Å; N220-Y225 HydrophobicContact CB-CE2 3.87Å; N220-Y225 WeakPolarHBondContact O-CD1 3.45Å; N220-Y225 WeakPolarHBondContact O-CE1 3.34Å; N220-Y225 VanDerWaalsContact O-CG 3.28Å; N220-Y225 VanDerWaalsContact OD1-CE2 3.31Å; N220-Y225 WeakPolarHBondContact OD1-CE2 3.48Å
221S89.9Confident92.9Very high101 Ų10139 Ų3971%0.70620%0.198SC*.THydrogen-bonded Turntrans-118.35.3168.9-53.60000112.7N219N219-S221 PolarHBondContact O-N 2.9Å; N219-S221 VanDerWaalsContact O-N 3.07Å; N219-S221 PolarHBondContact OD1-N 3.24Å
222G91.6Very high92.8Very high2 Ų235.6 Ų35.62%0.02119%0.185CC..SBendtrans-72.7163.8-178.600000113D15 N219 F224 Y225D15-G222 VanDerWaalsContact O-CA 3.25Å; D15-G222 WeakPolarHBondContact O-CA 3.29Å; N219-G222 PolarHBondContact O-N 2.82Å; G222-F224 VanDerWaalsContact C-N 3.26Å; G222-F224 PolarHBondContact O-N 3.15Å; G222-Y225 WeakPolarHBondContact O-CB 3.34Å; G222-Y225 PolarHBondContact O-N 3.44Å
223P92.8Very high92.5Very high34 Ų3434.8 Ų34.822%0.22118%0.182CC..G310 helixtrans-52-39.6179.6-3036.9000114.4D15 N16 Y225 K226 F276D15-P223 HydrophobicContact CB-CG 4.12Å; N16-P223 VanDerWaalsContact OD1-CD 3.3Å; N16-P223 WeakPolarHBondContact OD1-CD 3.44Å; P223-Y225 VanDerWaalsContact C-N 3.28Å; P223-Y225 PolarHBondContact O-N 2.82Å; P223-K226 VanDerWaalsContact O-CB 3.32Å; P223-K226 WeakPolarHBondContact O-CB 3.44Å; P223-K226 VanDerWaalsContact O-CG 3.28Å; P223-K226 WeakPolarHBondContact O-CG 3.4Å; P223-K226 PolarHBondContact O-N 2.83Å; P223-F276 WeakPolarHBondContact O-CZ 3.34Å
224F93.2Very high92.3Very high3 Ų334.8 Ų34.81%0.01318%0.182CC..G310 helixtrans-67.6-25.3179-174.3-109.8000113.8L6 Y9 I10 N16 F170 I171 R173 L218 G222 K226 L232 F235 F276L6-F224 HydrophobicContact CD1-CE2 4.15Å; L6-F224 HydrophobicContact CD1-CZ 4.28Å; Y9-F224 HydrophobicContact CE1-CD2 4.45Å; I10-F224 HydrophobicContact CD1-CB 3.81Å; I10-F224 HydrophobicContact CD1-CD1 3.44Å; I10-F224 VanDerWaalsContact CD1-CD1 3.44Å; I10-F224 HydrophobicContact CD1-CD2 3.43Å; I10-F224 VanDerWaalsContact CD1-CD2 3.43Å; I10-F224 HydrophobicContact CD1-CE1 3.77Å; I10-F224 HydrophobicContact CD1-CE2 3.77Å; I10-F224 HydrophobicContact CD1-CG 3.25Å; I10-F224 HydrophobicContact CD1-CZ 3.92Å; N16-F224 VanDerWaalsContact OD1-CB 3.29Å; N16-F224 WeakPolarHBondContact OD1-CB 3.33Å; N16-F224 PolarHBondContact OD1-N 2.97Å; F170-F224 HydrophobicContact CB-CE1 3.98Å; F170-F224 HydrophobicContact CB-CZ 4.42Å; F170-F224 WeakPolarHBondContact O-CE1 3.45Å; I171-F224 HydrophobicContact CD1-CZ 4.19Å; R173-F224 PolarHBondContact NH1-O 3.2Å; R173-F224 VanDerWaalsContact NH2-CD1 3.27Å; L218-F224 HydrophobicContact CD1-CD1 4.36Å; G222-F224 VanDerWaalsContact C-N 3.26Å; G222-F224 PolarHBondContact O-N 3.15Å; F224-K226 PolarHBondContact O-N 2.94Å; F224-L232 HydrophobicContact CE1-CD1 4.13Å; F224-L232 HydrophobicContact CE2-CD1 4.33Å; F224-L232 HydrophobicContact CZ-CD1 3.7Å; F224-F235 AromaticContact CE2-CE1 3.86Å; F224-F235 HydrophobicContact CE2-CE1 3.86Å; F224-F235 HydrophobicContact CE2-CZ 4.15Å; F224-F235 HydrophobicContact CZ-CE1 4.13Å; F224-F276 HydrophobicContact CD2-CD2 4.05Å; F224-F276 AromaticContact CD2-CE2 3.6Å; F224-F276 HydrophobicContact CD2-CE2 3.6Å; F224-F276 HydrophobicContact CD2-CZ 4.33Å; F224-F276 HydrophobicContact CE2-CD2 4.18Å; F224-F276 HydrophobicContact CE2-CE2 4.04Å; F224-F276 HydrophobicContact CG-CE2 4.45Å
225Y90.6Very high92.2Very high64 Ų6433.4 Ų33.425%0.25117%0.172SC..G310 helixtrans-72.8-12.7178.6-158.2-92000112.7N220 G222 P223 L227N220-Y225 HydrophobicContact CB-CD2 4.12Å; N220-Y225 HydrophobicContact CB-CE2 3.87Å; N220-Y225 WeakPolarHBondContact O-CD1 3.45Å; N220-Y225 WeakPolarHBondContact O-CE1 3.34Å; N220-Y225 VanDerWaalsContact O-CG 3.28Å; N220-Y225 VanDerWaalsContact OD1-CE2 3.31Å; N220-Y225 WeakPolarHBondContact OD1-CE2 3.48Å; G222-Y225 WeakPolarHBondContact O-CB 3.34Å; G222-Y225 PolarHBondContact O-N 3.44Å; P223-Y225 VanDerWaalsContact C-N 3.28Å; P223-Y225 PolarHBondContact O-N 2.82Å; Y225-L227 PolarHBondContact O-N 2.74Å
226K91.8Very high92Very high147 Ų14732.9 Ų32.964%0.63917%0.169SC*.G310 helixtrans-60.9-29.1176.6-66.6178.4-179.7179.50113.2P223 F224 L280P223-K226 VanDerWaalsContact O-CB 3.32Å; P223-K226 WeakPolarHBondContact O-CB 3.44Å; P223-K226 VanDerWaalsContact O-CG 3.28Å; P223-K226 WeakPolarHBondContact O-CG 3.4Å; P223-K226 PolarHBondContact O-N 2.83Å; F224-K226 PolarHBondContact O-N 2.94Å; K226-L280 HydrophobicContact CB-CD2 3.89Å
227L92Very high91.7Very high4 Ų431.2 Ų31.22%0.02116%0.158CC..SBendtrans-86.4112176.5-160.469.2000109.5R173 Y225 M231 L232 F235 F276 L279 L280R173-L227 PolarHBondContact NH1-O 3.26Å; Y225-L227 PolarHBondContact O-N 2.74Å; L227-M231 HydrophobicContact CD1-CB 3.59Å; L227-M231 HydrophobicContact CD1-CG 4.46Å; L227-M231 HydrophobicContact CG-CB 3.91Å; L227-L232 HydrophobicContact CB-CD1 4.46Å; L227-L232 HydrophobicContact CD2-CB 4.45Å; L227-L232 HydrophobicContact CD2-CD1 4.27Å; L227-L232 HydrophobicContact CG-CB 4.32Å; L227-F235 HydrophobicContact CD2-CB 3.47Å; L227-F235 VanDerWaalsContact CD2-CB 3.47Å; L227-F235 HydrophobicContact CD2-CD2 4.34Å; L227-F235 HydrophobicContact CD2-CG 3.9Å; L227-F276 HydrophobicContact CB-CD2 4.31Å; L227-F276 HydrophobicContact CB-CE2 3.61Å; L227-F276 HydrophobicContact CB-CZ 4.22Å; L227-F276 HydrophobicContact CD2-CD2 3.99Å; L227-F276 HydrophobicContact CD2-CE2 4.13Å; L227-F276 HydrophobicContact CG-CE2 4.46Å; L227-L279 HydrophobicContact CD1-CB 3.92Å; L227-L279 HydrophobicContact CD2-CD1 4.32Å; L227-L280 HydrophobicContact CB-CD2 4.43Å; L227-L280 HydrophobicContact CD1-CD2 3.98Å; L227-L280 HydrophobicContact CD1-CG 4.39Å
228K87.3Confident91.6Very high107 Ų10730.5 Ų30.547%0.46515%0.154SC..  trans-101.7170.2-177.1-64.5-174.6176.9-172.90111.6M231 L232K228-M231 WeakPolarHBondContact O-CA 3.49Å; K228-M231 WeakPolarHBondContact O-CB 3.03Å; K228-M231 PolarHBondContact O-N 3.34Å; K228-L232 PolarHBondContact O-N 3.46Å
229Y85.1Confident91.4Very high44 Ų4430.6 Ų30.617%0.17316%0.155CC..THydrogen-bonded Turntrans-59.7142.8168.6-174.3-88.5000110.6N175 P233 I312 L316 L360N175-Y229 WeakPolarHBondContact OD1-CD1 3.44Å; N175-Y229 WeakPolarHBondContact OD1-CD2 3.3Å; Y229-P233 HydrophobicContact CD2-CG 3.73Å; Y229-P233 HydrophobicContact CE2-CG 3.95Å; Y229-I312 HydrophobicContact CE2-CG2 4.44Å; Y229-L316 HydrophobicContact CE2-CD1 4.23Å; Y229-L360 HydrophobicContact CE1-CD1 4.29Å; Y229-L360 HydrophobicContact CE1-CD2 3.79Å; Y229-L360 WeakPolarHBondContact OH-CD2 3.49Å
230P85.7Confident90.9Very high18 Ų1829.2 Ų29.212%0.11715%0.15CC..THydrogen-bonded Turncis-88.42.6-3.536.6-37.9000114.5L232 P233 L234 I285 Y356P230-L232 VanDerWaalsContact C-N 3.28Å; P230-L232 PolarHBondContact O-N 2.91Å; P230-P233 WeakPolarHBondContact O-CD 3.49Å; P230-L234 PolarHBondContact O-N 3.5Å; P230-I285 HydrophobicContact CB-CD1 3.97Å; P230-I285 HydrophobicContact CG-CB 4.05Å; P230-I285 HydrophobicContact CG-CD1 3.93Å; P230-I285 HydrophobicContact CG-CG1 4.4Å; P230-I285 HydrophobicContact CG-CG2 4.4Å; P230-Y356 HydrophobicContact CG-CE1 4.19Å
231M92.6Very high90.4Very high14 Ų1427.6 Ų27.67%0.06914%0.141CC..Hα-helixtrans-64.7-30.5-179.2-69.4-67.1-18000113.6L227 K228 L234 F235 L279 F282 D284 I285 P288L227-M231 HydrophobicContact CD1-CB 3.59Å; L227-M231 HydrophobicContact CD1-CG 4.46Å; L227-M231 HydrophobicContact CG-CB 3.91Å; K228-M231 WeakPolarHBondContact O-CA 3.49Å; K228-M231 WeakPolarHBondContact O-CB 3.03Å; K228-M231 PolarHBondContact O-N 3.34Å; M231-L234 PolarHBondContact O-N 3.27Å; M231-L234 HydrophobicContact SD-CD2 4.3Å; M231-F235 WeakPolarHBondContact O-CB 3.37Å; M231-F235 PolarHBondContact O-N 3.49Å; M231-L279 HydrophobicContact SD-CD2 4.15Å; M231-F282 HydrophobicContact CE-CB 3.72Å; M231-D284 WeakPolarHBondContact CE-O 3.23Å; M231-I285 HydrophobicContact CE-CB 4.36Å; M231-P288 HydrophobicContact CE-CG 3.9Å; M231-P288 HydrophobicContact SD-CG 4.05Å
232L93.1Very high89.3Confident1 Ų125.2 Ų25.21%0.00512%0.121CC..Hα-helixtrans-70.2-47.3-178.9176.973.8000113.5I171 R173 F224 L227 K228 P230 L234 F235 A236I171-L232 HydrophobicContact CD1-CD1 4.05Å; I171-L232 HydrophobicContact CD1-CG 4.39Å; I171-L232 HydrophobicContact CG2-CG 4.14Å; I171-L232 WeakPolarHBondContact O-CD2 3.49Å; R173-L232 HydrophobicContact CB-CD2 4.45Å; R173-L232 VanDerWaalsContact CD-CD2 3.47Å; R173-L232 HydrophobicContact CG-CD2 3.71Å; F224-L232 HydrophobicContact CE1-CD1 4.13Å; F224-L232 HydrophobicContact CE2-CD1 4.33Å; F224-L232 HydrophobicContact CZ-CD1 3.7Å; L227-L232 HydrophobicContact CB-CD1 4.46Å; L227-L232 HydrophobicContact CD2-CB 4.45Å; L227-L232 HydrophobicContact CD2-CD1 4.27Å; L227-L232 HydrophobicContact CG-CB 4.32Å; K228-L232 PolarHBondContact O-N 3.46Å; P230-L232 VanDerWaalsContact C-N 3.28Å; P230-L232 PolarHBondContact O-N 2.91Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.35Å; L232-F235 HydrophobicContact CD1-CD1 4.32Å; L232-F235 VanDerWaalsContact O-CB 3.29Å; L232-F235 WeakPolarHBondContact O-CB 3.45Å; L232-F235 PolarHBondContact O-N 2.79Å; L232-A236 PolarHBondContact O-N 2.96Å; L232-A236 VanDerWaalsContact O-N 3.13Å
233P92.5Very high88.1Confident3 Ų328.3 Ų28.32%0.01914%0.136CC..Hα-helixtrans-58.4-41.1166.5-29.135.5000113.1I171 Y229 P230 F235 A236 I237 I312 Y315I171-P233 HydrophobicContact CG2-CG 4.49Å; Y229-P233 HydrophobicContact CD2-CG 3.73Å; Y229-P233 HydrophobicContact CE2-CG 3.95Å; P230-P233 WeakPolarHBondContact O-CD 3.49Å; P233-F235 VanDerWaalsContact C-N 3.28Å; P233-F235 PolarHBondContact O-N 3.15Å; P233-A236 VanDerWaalsContact O-CB 3.27Å; P233-A236 WeakPolarHBondContact O-CB 3.25Å; P233-A236 PolarHBondContact O-N 2.95Å; P233-I237 WeakPolarHBondContact O-CG1 3.3Å; P233-I237 PolarHBondContact O-N 3.45Å; P233-I237 VanDerWaalsContact O-N 3.14Å; P233-I312 HydrophobicContact CB-CB 4.25Å; P233-I312 HydrophobicContact CB-CG1 4.2Å; P233-I312 HydrophobicContact CB-CG2 3.99Å; P233-Y315 HydrophobicContact CB-CD2 4.19Å; P233-Y315 HydrophobicContact CB-CG 4.43Å
234L93.7Very high87Confident0 Ų027.2 Ų27.20%013%0.128CC..Hα-helixtrans-58.4-43.1175177.560.3000111.1P230 M231 L232 A236 I237 L238 L279 I285 P288 L289 I308 I312P230-L234 PolarHBondContact O-N 3.5Å; M231-L234 PolarHBondContact O-N 3.27Å; M231-L234 HydrophobicContact SD-CD2 4.3Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.35Å; L234-A236 VanDerWaalsContact C-N 3.31Å; L234-A236 PolarHBondContact O-N 3.27Å; L234-I237 PolarHBondContact O-N 2.94Å; L234-L238 HydrophobicContact CD1-CD1 4.08Å; L234-L238 HydrophobicContact CD1-CD2 4.26Å; L234-L238 HydrophobicContact CD1-CG 3.98Å; L234-L238 HydrophobicContact CG-CD1 3.96Å; L234-L238 HydrophobicContact CG-CG 4.27Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.16Å; L234-L238 PolarHBondContact O-N 3.48Å; L234-L279 HydrophobicContact CD2-CD2 3.9Å; L234-L279 HydrophobicContact CG-CD2 4.36Å; L234-I285 HydrophobicContact CB-CD1 4.47Å; L234-I285 HydrophobicContact CD2-CD1 4.31Å; L234-I285 HydrophobicContact CD2-CG1 3.82Å; L234-P288 HydrophobicContact CD2-CB 4.27Å; L234-P288 HydrophobicContact CD2-CG 3.98Å; L234-L289 HydrophobicContact CD1-CD2 4.16Å; L234-I308 HydrophobicContact CD1-CG2 3.75Å; L234-I312 HydrophobicContact CB-CD1 4.35Å
235F95Very high85.9Confident0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-54.4-44.9172.9160.8-94.8000112.5L6 I171 F224 L227 M231 L232 P233 I237 L238 V239 I272 I275 F276 L279L6-F235 HydrophobicContact CD1-CE1 3.9Å; L6-F235 HydrophobicContact CD1-CZ 3.92Å; L6-F235 HydrophobicContact CD2-CE1 4.42Å; I171-F235 HydrophobicContact CD1-CD1 4.08Å; I171-F235 HydrophobicContact CD1-CE1 4.16Å; F224-F235 AromaticContact CE2-CE1 3.86Å; F224-F235 HydrophobicContact CE2-CE1 3.86Å; F224-F235 HydrophobicContact CE2-CZ 4.15Å; F224-F235 HydrophobicContact CZ-CE1 4.13Å; L227-F235 HydrophobicContact CD2-CB 3.47Å; L227-F235 VanDerWaalsContact CD2-CB 3.47Å; L227-F235 HydrophobicContact CD2-CD2 4.34Å; L227-F235 HydrophobicContact CD2-CG 3.9Å; M231-F235 WeakPolarHBondContact O-CB 3.37Å; M231-F235 PolarHBondContact O-N 3.49Å; L232-F235 HydrophobicContact CD1-CD1 4.32Å; L232-F235 VanDerWaalsContact O-CB 3.29Å; L232-F235 WeakPolarHBondContact O-CB 3.45Å; L232-F235 PolarHBondContact O-N 2.79Å; P233-F235 VanDerWaalsContact C-N 3.28Å; P233-F235 PolarHBondContact O-N 3.15Å; F235-I237 VanDerWaalsContact C-N 3.34Å; F235-I237 PolarHBondContact O-N 3.49Å; F235-L238 PolarHBondContact O-N 2.83Å; F235-V239 HydrophobicContact CD2-CG2 3.92Å; F235-V239 HydrophobicContact CE1-CG2 4.36Å; F235-V239 HydrophobicContact CE2-CG2 3.54Å; F235-V239 HydrophobicContact CG-CG2 4.47Å; F235-V239 HydrophobicContact CZ-CG2 3.81Å; F235-V239 WeakPolarHBondContact O-CG2 3.05Å; F235-V239 PolarHBondContact O-N 2.86Å; F235-I272 HydrophobicContact CE2-CG2 3.91Å; F235-I272 HydrophobicContact CZ-CG2 3.7Å; F235-I275 HydrophobicContact CD2-CG2 3.95Å; F235-F276 HydrophobicContact CD2-CB 4.19Å; F235-F276 HydrophobicContact CD2-CD2 4.38Å; F235-F276 HydrophobicContact CE2-CB 3.83Å; F235-F276 HydrophobicContact CE2-CD2 4.22Å; F235-L279 HydrophobicContact CB-CD1 3.52Å; F235-L279 HydrophobicContact CD2-CD1 4.43Å; F235-L279 HydrophobicContact CG-CD1 4.49Å
236A93.4Very high85.3Confident0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-56.8-47.6176.900000112I3 I171 L232 P233 L234 L238 G240 Y315I3-A236 HydrophobicContact CD1-CB 3.46Å; I3-A236 VanDerWaalsContact CD1-CB 3.46Å; I3-A236 HydrophobicContact CG1-CB 4.22Å; I171-A236 HydrophobicContact CD1-CB 4.21Å; I171-A236 HydrophobicContact CG1-CB 4.07Å; I171-A236 HydrophobicContact CG2-CB 4.02Å; L232-A236 PolarHBondContact O-N 2.96Å; L232-A236 VanDerWaalsContact O-N 3.13Å; P233-A236 VanDerWaalsContact O-CB 3.27Å; P233-A236 WeakPolarHBondContact O-CB 3.25Å; P233-A236 PolarHBondContact O-N 2.95Å; L234-A236 VanDerWaalsContact C-N 3.31Å; L234-A236 PolarHBondContact O-N 3.27Å; A236-L238 PolarHBondContact O-N 3.18Å; A236-G240 PolarHBondContact O-N 3.01Å; A236-Y315 HydrophobicContact CB-CD2 4.28Å; A236-Y315 HydrophobicContact CB-CE2 3.56Å
237I91.6Very high85.1Confident1 Ų127.9 Ų27.91%0.00515%0.149CC..Hα-helixtrans-63.9-41.2179.9-57.6-43.2000111.8P233 L234 F235 G240 N241 I244 I247 I308 Y315P233-I237 WeakPolarHBondContact O-CG1 3.3Å; P233-I237 PolarHBondContact O-N 3.45Å; P233-I237 VanDerWaalsContact O-N 3.14Å; L234-I237 PolarHBondContact O-N 2.94Å; F235-I237 VanDerWaalsContact C-N 3.34Å; F235-I237 PolarHBondContact O-N 3.49Å; I237-G240 PolarHBondContact O-N 3.28Å; I237-N241 WeakPolarHBondContact CD1-ND2 3.39Å; I237-I244 HydrophobicContact CD1-CD1 4.08Å; I237-I244 HydrophobicContact CG2-CB 4.22Å; I237-I244 HydrophobicContact CG2-CD1 3.98Å; I237-I244 HydrophobicContact CG2-CG2 3.78Å; I237-I247 HydrophobicContact CG2-CG1 4.25Å; I237-I308 HydrophobicContact CG2-CG1 4.38Å; I237-Y315 HydrophobicContact CD1-CE2 4.15Å
238L93Very high85.1Confident3 Ų333.8 Ų33.82%0.01617%0.171CC..Hα-helixtrans-74.2-33.5-177.5-63.7-178.7000113.9L234 F235 A236 G240 I247 L249 I275 W278 L279 I292L234-L238 HydrophobicContact CD1-CD1 4.08Å; L234-L238 HydrophobicContact CD1-CD2 4.26Å; L234-L238 HydrophobicContact CD1-CG 3.98Å; L234-L238 HydrophobicContact CG-CD1 3.96Å; L234-L238 HydrophobicContact CG-CG 4.27Å; L234-L238 VanDerWaalsContact O-CG 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.16Å; L234-L238 PolarHBondContact O-N 3.48Å; F235-L238 PolarHBondContact O-N 2.83Å; A236-L238 PolarHBondContact O-N 3.18Å; L238-G240 VanDerWaalsContact C-N 3.28Å; L238-I247 HydrophobicContact CD2-CB 4.21Å; L238-I247 HydrophobicContact CD2-CG2 3.6Å; L238-L249 HydrophobicContact CB-CD2 4.07Å; L238-L249 HydrophobicContact CD2-CD2 3.93Å; L238-L249 HydrophobicContact CG-CD2 4.39Å; L238-I275 HydrophobicContact CB-CD1 4.49Å; L238-I275 HydrophobicContact CB-CG2 3.88Å; L238-I275 HydrophobicContact CD1-CG2 4.26Å; L238-W278 HydrophobicContact CD1-CZ3 3.81Å; L238-L279 HydrophobicContact CD1-CD1 4.25Å; L238-L279 HydrophobicContact CD1-CD2 4.2Å; L238-I292 HydrophobicContact CD1-CD1 3.82Å; L238-I292 HydrophobicContact CD2-CD1 3.57Å; L238-I292 HydrophobicContact CD2-CG1 4.41Å; L238-I292 HydrophobicContact CG-CD1 4.31Å
239V91.6Very high85.3Confident8 Ų830 Ų305%0.04816%0.156CC..Hα-helixtrans-66.1-39.8171173.40000109.9I3 F235 Y268 I272 I275I3-V239 HydrophobicContact CG2-CB 3.97Å; I3-V239 HydrophobicContact CG2-CG1 3.36Å; F235-V239 HydrophobicContact CD2-CG2 3.92Å; F235-V239 HydrophobicContact CE1-CG2 4.36Å; F235-V239 HydrophobicContact CE2-CG2 3.54Å; F235-V239 HydrophobicContact CG-CG2 4.47Å; F235-V239 HydrophobicContact CZ-CG2 3.81Å; F235-V239 WeakPolarHBondContact O-CG2 3.05Å; F235-V239 PolarHBondContact O-N 2.86Å; V239-Y268 HydrophobicContact CG1-CE1 4.2Å; V239-I272 HydrophobicContact CG1-CD1 4.44Å; V239-I272 HydrophobicContact CG1-CG1 3.75Å; V239-I272 HydrophobicContact CG2-CG1 4.21Å; V239-I275 HydrophobicContact CG2-CD1 3.93Å; V239-I275 HydrophobicContact CG2-CG2 4.44Å
240G83.8Confident85.7Confident9 Ų928.7 Ų28.79%0.09315%0.152CC..  trans104.6128.1-174.900000110.8A236 I237 L238 I244A236-G240 PolarHBondContact O-N 3.01Å; I237-G240 PolarHBondContact O-N 3.28Å; L238-G240 VanDerWaalsContact C-N 3.28Å; G240-I244 CarbonylContact C-O 3.33Å; G240-I244 WeakPolarHBondContact CA-O 3.21Å
241N79.2Confident86.1Confident16 Ų1633.3 Ų33.39%0.08618%0.18CC..  trans-120.8-169.417767.48.6000110.5I3 I237 M243 I244 Y315I3-N241 HydrophobicContact CG1-CB 3.9Å; I237-N241 WeakPolarHBondContact CD1-ND2 3.39Å; N241-M243 PolarHBondContact O-N 3.15Å; N241-M243 VanDerWaalsContact O-N 3.15Å; N241-M243 WeakPolarHBondContact OD1-CA 2.96Å; N241-M243 WeakPolarHBondContact OD1-CB 2.98Å; N241-M243 PolarHBondContact OD1-N 3.4Å; N241-I244 PolarHBondContact N-O 3.35Å; N241-I244 PolarHBondContact OD1-N 3.3Å; N241-I244 PolarHBondContact OD1-O 3.33Å; N241-Y315 PolarHBondContact ND2-OH 3.22Å
242D66.9Low86.2Confident52 Ų5234.9 Ų34.928%0.27819%0.191SC..SBendtrans-66.9-8.4-179.9-81.2-26.8000113.1G2 T90 R94G2-D242 PolarHBondContact N-OD2 3.14Å; T90-D242 HydrophobicContact CG2-CB 4.47Å; T90-D242 PolarHBondContact OG1-O 3.17Å; R94-D242 VanDerWaalsContact NH2-CG 3.33Å; R94-D242 IonicContact NH2-OD1 2.78Å; R94-D242 PolarHBondContact NH2-OD1 2.64Å; R94-D242 IonicContact NH2-OD2 2.85Å; R94-D242 PolarHBondContact NH2-OD2 3.26Å
243M64.6Low86.2Confident67 Ų6734.8 Ų34.833%0.3319%0.19SC..SBendtrans-110.5-41.5-175.3-51.4-55.8-7400112.7S86 N241S86-M243 WeakPolarHBondContact OG-CE 3.33Å; N241-M243 PolarHBondContact O-N 3.15Å; N241-M243 VanDerWaalsContact O-N 3.15Å; N241-M243 WeakPolarHBondContact OD1-CA 2.96Å; N241-M243 WeakPolarHBondContact OD1-CB 2.98Å; N241-M243 PolarHBondContact OD1-N 3.4Å
244I69.7Low86.2Confident11 Ų1138.6 Ų38.66%0.05621%0.211CC..  trans-132.8129.4-171.9-62.4167.2000108.8I237 G240 N241 I247 E307I237-I244 HydrophobicContact CD1-CD1 4.08Å; I237-I244 HydrophobicContact CG2-CB 4.22Å; I237-I244 HydrophobicContact CG2-CD1 3.98Å; I237-I244 HydrophobicContact CG2-CG2 3.78Å; G240-I244 CarbonylContact C-O 3.33Å; G240-I244 WeakPolarHBondContact CA-O 3.21Å; N241-I244 PolarHBondContact N-O 3.35Å; N241-I244 PolarHBondContact OD1-N 3.3Å; N241-I244 PolarHBondContact OD1-O 3.33Å; I244-I247 HydrophobicContact CG2-CD1 4.04Å; I244-I247 HydrophobicContact CG2-CG1 3.76Å; I244-E307 HydrophobicContact CD1-CG 3.75Å; I244-E307 WeakPolarHBondContact CD1-O 3.4Å; I244-E307 HydrophobicContact CG1-CG 3.97Å; I244-E307 WeakPolarHBondContact CG2-OE1 3.2Å
245S70.6Confident86.2Confident81 Ų8141 Ų4157%0.56623%0.227SC*.  trans-140.8-2-177.857.80000116.7
246N79Confident86.1Confident137 Ų13742.1 Ų42.173%0.73323%0.233SC*.  trans-119.928-169-67.4-40.5000114.7R248 Y296N246-R248 PolarHBondContact O-N 3.49Å; N246-Y296 PolarHBondContact O-OH 3.46Å
247I87Confident86Confident10 Ų1042.7 Ų42.75%0.05124%0.236CC..  trans-74.4125176.2-54.6-59.8000110.5I237 L238 I244 I292 Y296 I304 I308I237-I247 HydrophobicContact CG2-CG1 4.25Å; L238-I247 HydrophobicContact CD2-CB 4.21Å; L238-I247 HydrophobicContact CD2-CG2 3.6Å; I244-I247 HydrophobicContact CG2-CD1 4.04Å; I244-I247 HydrophobicContact CG2-CG1 3.76Å; I247-I292 HydrophobicContact CG2-CG2 3.66Å; I247-Y296 WeakPolarHBondContact CA-OH 3.43Å; I247-I304 HydrophobicContact CD1-CG2 4.21Å; I247-I308 HydrophobicContact CD1-CD1 4.33Å; I247-I308 HydrophobicContact CD1-CG1 4.02Å; I247-I308 HydrophobicContact CG2-CD1 4.45Å
248R91Very high85.9Confident128 Ų12851.1 Ų51.148%0.48327%0.268SS..  trans-65.8134.2173.3-67.6-178.8-177.21707.1108.7N246 L295 Y296N246-R248 PolarHBondContact O-N 3.49Å; R248-L295 HydrophobicContact CB-CB 4.07Å; R248-L295 HydrophobicContact CB-CD1 3.9Å; R248-L295 PolarHBondContact NH1-O 2.93Å; R248-L295 WeakPolarHBondContact O-CD1 3.43Å; R248-Y296 HydrophobicContact CB-CE2 3.87Å; R248-Y296 HydrophobicContact CG-CE1 4.06Å; R248-Y296 HydrophobicContact CG-CE2 4.23Å; R248-Y296 PolarHBondContact N-OH 3.16Å
249L93.1Very high85.7Confident28 Ų2855.7 Ų55.715%0.14730%0.296CS..  trans-107.9144.4179.7-62.1-174000111.1L238 I253 I275L238-L249 HydrophobicContact CB-CD2 4.07Å; L238-L249 HydrophobicContact CD2-CD2 3.93Å; L238-L249 HydrophobicContact CG-CD2 4.39Å; L249-I253 HydrophobicContact CB-CB 4.4Å; L249-I253 HydrophobicContact CB-CG1 4.12Å; L249-I253 HydrophobicContact CD1-CG1 4.44Å; L249-I253 HydrophobicContact CD1-CG2 4.06Å; L249-I275 HydrophobicContact CD1-CD1 3.62Å; L249-I275 HydrophobicContact CD1-CG1 3.83Å
250P93.7Very high85.4Confident15 Ų1555.7 Ų55.710%0.09730%0.296CS..  trans-60.4146.6174.7-27.237000112.7V252 I253 W278 I292 L295P250-V252 HydrophobicContact CB-CG1 3.98Å; P250-V252 PolarHBondContact O-N 3.39Å; P250-I253 VanDerWaalsContact O-CB 3.32Å; P250-I253 WeakPolarHBondContact O-CB 3.47Å; P250-I253 WeakPolarHBondContact O-CG1 2.99Å; P250-I253 PolarHBondContact O-N 3.44Å; P250-W278 HydrophobicContact CG-CH2 4.17Å; P250-W278 HydrophobicContact CG-CZ2 3.88Å; P250-I292 HydrophobicContact CG-CG1 4.47Å; P250-L295 HydrophobicContact CG-CD1 4.14Å
251T93.4Very high85.5Confident115 Ų11562 Ų6271%0.70633%0.332SS*.Hα-helixtrans-59.5-19.9-177.6540000114.6I253 D254 S255T251-I253 PolarHBondContact O-N 2.91Å; T251-D254 WeakPolarHBondContact O-CB 3.28Å; T251-D254 PolarHBondContact O-N 3.34Å; T251-D254 VanDerWaalsContact O-N 3.12Å; T251-S255 PolarHBondContact O-N 2.76Å
252V94.1Very high85.8Confident47 Ų4762.7 Ų62.729%0.28534%0.336SS..Hα-helixtrans-59.9-29.6171.6640000112P250 S255 L256 W278P250-V252 HydrophobicContact CB-CG1 3.98Å; P250-V252 PolarHBondContact O-N 3.39Å; V252-S255 WeakPolarHBondContact O-CB 3.39Å; V252-S255 PolarHBondContact O-N 2.89Å; V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 2.85Å; V252-W278 HydrophobicContact CG1-CG 4.45Å
253I93.6Very high86.4Confident0 Ų064.6 Ų64.60%034%0.343CS..Hα-helixtrans-63.2-44.4173.8-60.3-57.5000110.3L249 P250 T251 S255 L256 M257 A274 I275 W278L249-I253 HydrophobicContact CB-CB 4.4Å; L249-I253 HydrophobicContact CB-CG1 4.12Å; L249-I253 HydrophobicContact CD1-CG1 4.44Å; L249-I253 HydrophobicContact CD1-CG2 4.06Å; P250-I253 VanDerWaalsContact O-CB 3.32Å; P250-I253 WeakPolarHBondContact O-CB 3.47Å; P250-I253 WeakPolarHBondContact O-CG1 2.99Å; P250-I253 PolarHBondContact O-N 3.44Å; T251-I253 PolarHBondContact O-N 2.91Å; I253-S255 VanDerWaalsContact C-N 3.25Å; I253-S255 PolarHBondContact O-N 2.72Å; I253-L256 HydrophobicContact CD1-CD1 4.5Å; I253-L256 WeakPolarHBondContact O-CB 3.42Å; I253-L256 PolarHBondContact O-N 3.44Å; I253-L256 VanDerWaalsContact O-N 3.11Å; I253-M257 HydrophobicContact CG2-CG 4.34Å; I253-M257 HydrophobicContact CG2-SD 4.09Å; I253-M257 VanDerWaalsContact O-CG 3.28Å; I253-M257 WeakPolarHBondContact O-CG 3.43Å; I253-M257 PolarHBondContact O-N 3.08Å; I253-A274 HydrophobicContact CG2-CB 3.97Å; I253-I275 HydrophobicContact CD1-CG1 4.41Å; I253-I275 HydrophobicContact CG2-CG1 4.26Å; I253-W278 HydrophobicContact CD1-CB 3.33Å; I253-W278 HydrophobicContact CD1-CD2 3.67Å; I253-W278 HydrophobicContact CD1-CE3 3.94Å; I253-W278 HydrophobicContact CD1-CG 3.41Å; I253-W278 VanDerWaalsContact CD1-CG 3.41Å
254D92.1Very high87.4Confident83 Ų8365.5 Ų65.544%0.44437%0.37SS..Hα-helixtrans-63.1-34.4177.2-59.5-39.4000112T251 R258T251-D254 WeakPolarHBondContact O-CB 3.28Å; T251-D254 PolarHBondContact O-N 3.34Å; T251-D254 VanDerWaalsContact O-N 3.12Å; D254-R258 WeakPolarHBondContact O-CG 3.2Å; D254-R258 PolarHBondContact O-N 2.91Å; D254-R258 VanDerWaalsContact O-N 3.15Å; D254-R258 PolarHBondContact O-NE 3.08Å
255S93.9Very high88.2Confident49 Ų4971.5 Ų71.534%0.34339%0.392SS..Hα-helixtrans-65.3-47.3172.3-168.80000111.5T251 V252 I253 M257 R258 T259T251-S255 PolarHBondContact O-N 2.76Å; V252-S255 WeakPolarHBondContact O-CB 3.39Å; V252-S255 PolarHBondContact O-N 2.89Å; I253-S255 VanDerWaalsContact C-N 3.25Å; I253-S255 PolarHBondContact O-N 2.72Å; S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.41Å; S255-R258 PolarHBondContact O-N 3.08Å; S255-R258 VanDerWaalsContact O-N 3.17Å; S255-T259 PolarHBondContact O-N 2.74Å; S255-T259 PolarHBondContact O-OG1 3.26Å
256L93.5Very high89.1Confident25 Ų2570.9 Ų70.913%0.13139%0.387CS..Hα-helixtrans-62-36.9177.4-77174.2000112.3V252 I253 T259 S260 A274 W278V252-L256 WeakPolarHBondContact O-CG 3.23Å; V252-L256 PolarHBondContact O-N 2.85Å; I253-L256 HydrophobicContact CD1-CD1 4.5Å; I253-L256 WeakPolarHBondContact O-CB 3.42Å; I253-L256 PolarHBondContact O-N 3.44Å; I253-L256 VanDerWaalsContact O-N 3.11Å; L256-T259 CarbonylContact O-C 3.6Å; L256-T259 PolarHBondContact O-N 3.27Å; L256-T259 PolarHBondContact O-OG1 3.42Å; L256-S260 WeakPolarHBondContact O-CA 3.41Å; L256-S260 WeakPolarHBondContact O-CB 3.23Å; L256-S260 PolarHBondContact O-N 3.16Å; L256-A274 HydrophobicContact CB-CB 3.69Å; L256-W278 HydrophobicContact CD1-CB 3.77Å
257M91.5Very high89.6Confident12 Ų1270 Ų706%0.05938%0.378CS..Hα-helixtrans-64.8-38.6174.8-71178.764.100112.1I253 S255 Q263 H267 R270 R271 A274I253-M257 HydrophobicContact CG2-CG 4.34Å; I253-M257 HydrophobicContact CG2-SD 4.09Å; I253-M257 VanDerWaalsContact O-CG 3.28Å; I253-M257 WeakPolarHBondContact O-CG 3.43Å; I253-M257 PolarHBondContact O-N 3.08Å; S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.41Å; M257-Q263 PolarHBondContact O-NE2 2.84Å; M257-H267 VanDerWaalsContact CE-NE2 3.32Å; M257-H267 WeakPolarHBondContact CE-NE2 3.31Å; M257-R270 HydrophobicContact CE-CB 4.47Å; M257-R271 HydrophobicContact CE-CB 3.87Å; M257-R271 HydrophobicContact SD-CB 4.04Å; M257-R271 HydrophobicContact SD-CG 4.33Å; M257-A274 HydrophobicContact CG-CB 3.49Å; M257-A274 VanDerWaalsContact CG-CB 3.49Å
258R89.6Confident89.6Confident177 Ų17772.3 Ų72.367%0.66839%0.387SS*.Hα-helixtrans-69.2-31175.3-76.5-178.5-72.7142.7-6.1113.1D254 S255 Q263D254-R258 WeakPolarHBondContact O-CG 3.2Å; D254-R258 PolarHBondContact O-N 2.91Å; D254-R258 VanDerWaalsContact O-N 3.15Å; D254-R258 PolarHBondContact O-NE 3.08Å; S255-R258 PolarHBondContact O-N 3.08Å; S255-R258 VanDerWaalsContact O-N 3.17Å; R258-Q263 PolarHBondContact O-NE2 3.32Å
259T88.5Confident89.7Confident100 Ų10066.9 Ų66.961%0.61337%0.367SS*.Hα-helixtrans-99.71.3179.661.40000114S255 L256 V261S255-T259 PolarHBondContact O-N 2.74Å; S255-T259 PolarHBondContact O-OG1 3.26Å; L256-T259 CarbonylContact O-C 3.6Å; L256-T259 PolarHBondContact O-N 3.27Å; L256-T259 PolarHBondContact O-OG1 3.42Å; T259-V261 PolarHBondContact O-N 2.96Å
260S85.5Confident89.7Confident8 Ų868.3 Ų68.36%0.05637%0.37CS..  trans-60.5139.3-178.7175.10000110.2L256 L262 Q263 D273L256-S260 WeakPolarHBondContact O-CA 3.41Å; L256-S260 WeakPolarHBondContact O-CB 3.23Å; L256-S260 PolarHBondContact O-N 3.16Å; S260-L262 PolarHBondContact O-N 2.58Å; S260-L262 VanDerWaalsContact O-N 3.14Å; S260-L262 WeakPolarHBondContact OG-CB 3.25Å; S260-L262 PolarHBondContact OG-N 3.1Å; S260-L262 VanDerWaalsContact OG-N 3.15Å; S260-Q263 WeakPolarHBondContact O-CG 3.28Å; S260-Q263 PolarHBondContact O-NE2 3.07Å; S260-D273 PolarHBondContact OG-OD2 2.9Å
261V84.7Confident89.6Confident140 Ų14070.5 Ų70.585%0.84838%0.377SS*.THydrogen-bonded Turntrans-63.9-14.1173.1-63.30000112.3T259 Q263T259-V261 PolarHBondContact O-N 2.96Å; V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 2.76Å
262L85.3Confident89.7Confident31 Ų3165 Ų6516%0.16234%0.343CS..THydrogen-bonded Turntrans-87.633-179.3-55.2-178.4000113.3Y9 S260 G264 R265 R270 D273Y9-L262 HydrophobicContact CE2-CD1 4.27Å; S260-L262 PolarHBondContact O-N 2.58Å; S260-L262 VanDerWaalsContact O-N 3.14Å; S260-L262 WeakPolarHBondContact OG-CB 3.25Å; S260-L262 PolarHBondContact OG-N 3.1Å; S260-L262 VanDerWaalsContact OG-N 3.15Å; L262-G264 PolarHBondContact O-N 3.32Å; L262-G264 VanDerWaalsContact O-N 3.09Å; L262-R265 HydrophobicContact CB-CB 4.14Å; L262-R265 HydrophobicContact CB-CG 3.88Å; L262-R265 HydrophobicContact CD2-CG 4.33Å; L262-R265 WeakPolarHBondContact O-CB 3.42Å; L262-R265 PolarHBondContact O-N 2.95Å; L262-R270 HydrophobicContact CB-CG 4.2Å; L262-R270 WeakPolarHBondContact O-CG 3.34Å; L262-D273 HydrophobicContact CD1-CB 3.74Å
263Q81.1Confident89.7Confident93 Ų9363.7 Ų63.744%0.43534%0.335SS..THydrogen-bonded Turntrans-55.3-29.6-176.9-71.5-51.3-42.500114.4M257 R258 S260 V261 R265M257-Q263 PolarHBondContact O-NE2 2.84Å; R258-Q263 PolarHBondContact O-NE2 3.32Å; S260-Q263 WeakPolarHBondContact O-CG 3.28Å; S260-Q263 PolarHBondContact O-NE2 3.07Å; V261-Q263 VanDerWaalsContact C-N 3.28Å; V261-Q263 PolarHBondContact O-N 2.76Å; Q263-R265 VanDerWaalsContact C-N 3.29Å; Q263-R265 PolarHBondContact O-N 2.91Å
264G83.8Confident89.8Confident85 Ų8563.8 Ų63.888%0.87634%0.335SS*.THydrogen-bonded Turntrans-81.31.417600000115.3L262L262-G264 PolarHBondContact O-N 3.32Å; L262-G264 VanDerWaalsContact O-N 3.09Å
265R87.4Confident90Very high138 Ų13859.8 Ų59.852%0.52131%0.314SS..SBendtrans-100.9165.3-178.1-57.2-63.7-168.5170.61.6111.2L262 Q263 Q269L262-R265 HydrophobicContact CB-CB 4.14Å; L262-R265 HydrophobicContact CB-CG 3.88Å; L262-R265 HydrophobicContact CD2-CG 4.33Å; L262-R265 WeakPolarHBondContact O-CB 3.42Å; L262-R265 PolarHBondContact O-N 2.95Å; Q263-R265 VanDerWaalsContact C-N 3.29Å; Q263-R265 PolarHBondContact O-N 2.91Å; R265-Q269 HydrophobicContact CB-CB 3.81Å; R265-Q269 HydrophobicContact CB-CG 4.37Å
266S89.7Confident90.1Very high68 Ų6857.9 Ų57.948%0.47630%0.299SS..  trans-59.3154.5179.773.30000111.6Y268 Q269 R270S266-Y268 PolarHBondContact O-N 2.93Å; S266-Y268 VanDerWaalsContact O-N 3.12Å; S266-Q269 PolarHBondContact O-N 2.64Å; S266-Q269 WeakPolarHBondContact OG-CG 3.43Å; S266-Q269 PolarHBondContact OG-N 3.08Å; S266-R270 PolarHBondContact O-N 3.2Å; S266-R270 VanDerWaalsContact O-N 3.14Å
267H88.7Confident90.1Very high117 Ų11759.6 Ų59.654%0.54231%0.309SS..Hα-helixtrans-48.7-39.9173.4176.4-88.2000111.9M257 R270 R271M257-H267 VanDerWaalsContact CE-NE2 3.32Å; M257-H267 WeakPolarHBondContact CE-NE2 3.31Å; H267-R270 PolarHBondContact O-N 3.26Å; H267-R271 WeakPolarHBondContact O-CB 3.36Å; H267-R271 PolarHBondContact O-N 2.66Å
268Y88.2Confident90.4Very high60 Ų6059.4 Ų59.424%0.23531%0.307CS..Hα-helixtrans-63.9-41.9179.7-158.5-75.5000112.8R4 V239 S266 R271 I272R4-Y268 HydrophobicContact CB-CE1 4.49Å; R4-Y268 HydrophobicContact CB-CE2 4.4Å; R4-Y268 WeakPolarHBondContact CB-OH 3.42Å; R4-Y268 HydrophobicContact CG-CE2 4.29Å; R4-Y268 WeakPolarHBondContact O-CE1 3.45Å; R4-Y268 PolarHBondContact O-OH 2.75Å; V239-Y268 HydrophobicContact CG1-CE1 4.2Å; S266-Y268 PolarHBondContact O-N 2.93Å; S266-Y268 VanDerWaalsContact O-N 3.12Å; Y268-R271 PolarHBondContact O-N 3.5Å; Y268-I272 HydrophobicContact CD1-CD1 3.67Å; Y268-I272 HydrophobicContact CD1-CG1 4.1Å; Y268-I272 HydrophobicContact CE1-CD1 3.5Å; Y268-I272 HydrophobicContact CE1-CG1 3.84Å; Y268-I272 WeakPolarHBondContact O-CG1 3.09Å; Y268-I272 PolarHBondContact O-N 3.16Å
269Q92.9Very high90.7Very high13 Ų1351 Ų516%0.06128%0.276CS..Hα-helixtrans-66.6-42.1177.1-67.4-64.5-60.400111.9G5 Y9 R265 S266 R271 I272 D273G5-Q269 PolarHBondContact O-NE2 3.12Å; Y9-Q269 VanDerWaalsContact CB-OE1 3.29Å; R265-Q269 HydrophobicContact CB-CB 3.81Å; R265-Q269 HydrophobicContact CB-CG 4.37Å; S266-Q269 PolarHBondContact O-N 2.64Å; S266-Q269 WeakPolarHBondContact OG-CG 3.43Å; S266-Q269 PolarHBondContact OG-N 3.08Å; Q269-R271 VanDerWaalsContact C-N 3.3Å; Q269-R271 PolarHBondContact O-N 2.95Å; Q269-I272 PolarHBondContact O-N 2.94Å; Q269-D273 WeakPolarHBondContact O-CB 3.3Å; Q269-D273 PolarHBondContact O-N 2.78Å; Q269-D273 VanDerWaalsContact O-N 3.07Å
270R92.6Very high91Very high59 Ų5949.5 Ų49.522%0.22326%0.264CS..Hα-helixtrans-63-36.7174.6-69.8-171-68.2168.51.9112.2M257 L262 S266 H267 A274M257-R270 HydrophobicContact CE-CB 4.47Å; L262-R270 HydrophobicContact CB-CG 4.2Å; L262-R270 WeakPolarHBondContact O-CG 3.34Å; S266-R270 PolarHBondContact O-N 3.2Å; S266-R270 VanDerWaalsContact O-N 3.14Å; H267-R270 PolarHBondContact O-N 3.26Å; R270-A274 VanDerWaalsContact O-CB 3.3Å; R270-A274 WeakPolarHBondContact O-CB 3.4Å; R270-A274 PolarHBondContact O-N 3.05Å
271R92.4Very high91.5Very high60 Ų6056.2 Ų56.223%0.22629%0.287CS..Hα-helixtrans-63.4-48.6175.2-177.9-179.1174.793.2-4.7111.5M257 H267 Y268 Q269 D273 A274 I275M257-R271 HydrophobicContact CE-CB 3.87Å; M257-R271 HydrophobicContact SD-CB 4.04Å; M257-R271 HydrophobicContact SD-CG 4.33Å; H267-R271 WeakPolarHBondContact O-CB 3.36Å; H267-R271 PolarHBondContact O-N 2.66Å; Y268-R271 PolarHBondContact O-N 3.5Å; Q269-R271 VanDerWaalsContact C-N 3.3Å; Q269-R271 PolarHBondContact O-N 2.95Å; R271-D273 PolarHBondContact O-N 3.14Å; R271-A274 PolarHBondContact O-N 2.98Å; R271-I275 HydrophobicContact CG-CD1 3.85Å; R271-I275 VanDerWaalsContact O-CG1 3.3Å; R271-I275 WeakPolarHBondContact O-CG1 3.44Å; R271-I275 PolarHBondContact O-N 3.33Å
272I94.3Very high92Very high0 Ų051.5 Ų51.50%026%0.256CS..Hα-helixtrans-56.1-51.5176.6-69.7167.7000110.7Y9 F235 V239 Y268 Q269 A274 I275 F276Y9-I272 HydrophobicContact CD1-CG2 3.47Å; Y9-I272 VanDerWaalsContact CD1-CG2 3.47Å; Y9-I272 HydrophobicContact CD2-CB 4.31Å; Y9-I272 HydrophobicContact CD2-CG2 3.87Å; Y9-I272 HydrophobicContact CE1-CG2 3.76Å; Y9-I272 HydrophobicContact CE2-CG2 4.15Å; Y9-I272 HydrophobicContact CG-CB 4.27Å; Y9-I272 HydrophobicContact CG-CG2 3.51Å; F235-I272 HydrophobicContact CE2-CG2 3.91Å; F235-I272 HydrophobicContact CZ-CG2 3.7Å; V239-I272 HydrophobicContact CG1-CD1 4.44Å; V239-I272 HydrophobicContact CG1-CG1 3.75Å; V239-I272 HydrophobicContact CG2-CG1 4.21Å; Y268-I272 HydrophobicContact CD1-CD1 3.67Å; Y268-I272 HydrophobicContact CD1-CG1 4.1Å; Y268-I272 HydrophobicContact CE1-CD1 3.5Å; Y268-I272 HydrophobicContact CE1-CG1 3.84Å; Y268-I272 WeakPolarHBondContact O-CG1 3.09Å; Y268-I272 PolarHBondContact O-N 3.16Å; Q269-I272 PolarHBondContact O-N 2.94Å; I272-A274 PolarHBondContact O-N 3.04Å; I272-I275 PolarHBondContact O-N 3.17Å; I272-F276 WeakPolarHBondContact O-CB 3.45Å; I272-F276 PolarHBondContact O-N 2.98Å
273D94.8Very high92.1Very high20 Ų2061.8 Ų61.811%0.10729%0.292CS..Hα-helixtrans-58.1-44.9179.9-178.260.5000112.2Y9 S260 L262 Q269 R271 F276 N277Y9-D273 HydrophobicContact CE2-CB 3.74Å; Y9-D273 PolarHBondContact OH-OD1 3.15Å; S260-D273 PolarHBondContact OG-OD2 2.9Å; L262-D273 HydrophobicContact CD1-CB 3.74Å; Q269-D273 WeakPolarHBondContact O-CB 3.3Å; Q269-D273 PolarHBondContact O-N 2.78Å; Q269-D273 VanDerWaalsContact O-N 3.07Å; R271-D273 PolarHBondContact O-N 3.14Å; D273-F276 PolarHBondContact O-N 3.39Å; D273-N277 VanDerWaalsContact CG-ND2 3.35Å; D273-N277 WeakPolarHBondContact O-CB 3.2Å; D273-N277 PolarHBondContact O-N 3.46Å; D273-N277 PolarHBondContact O-ND2 2.68Å; D273-N277 PolarHBondContact OD1-ND2 3.03Å
274A95.5Very high92.6Very high1 Ų159.5 Ų59.51%0.00828%0.283CS..Hα-helixtrans-63.8-43.3179.100000112.7I253 L256 M257 R270 R271 I272 W278I253-A274 HydrophobicContact CG2-CB 3.97Å; L256-A274 HydrophobicContact CB-CB 3.69Å; M257-A274 HydrophobicContact CG-CB 3.49Å; M257-A274 VanDerWaalsContact CG-CB 3.49Å; R270-A274 VanDerWaalsContact O-CB 3.3Å; R270-A274 WeakPolarHBondContact O-CB 3.4Å; R270-A274 PolarHBondContact O-N 3.05Å; R271-A274 PolarHBondContact O-N 2.98Å; I272-A274 PolarHBondContact O-N 3.04Å; A274-W278 WeakPolarHBondContact O-CB 3.5Å; A274-W278 PolarHBondContact O-N 3.49Å
275I95.6Very high93Very high0 Ų056 Ų560%024%0.244CC..Hα-helixtrans-65-46.1177.2-64.1165.9000110.1F235 L238 V239 L249 I253 R271 I272 N277 W278 L279F235-I275 HydrophobicContact CD2-CG2 3.95Å; L238-I275 HydrophobicContact CB-CD1 4.49Å; L238-I275 HydrophobicContact CB-CG2 3.88Å; L238-I275 HydrophobicContact CD1-CG2 4.26Å; V239-I275 HydrophobicContact CG2-CD1 3.93Å; V239-I275 HydrophobicContact CG2-CG2 4.44Å; L249-I275 HydrophobicContact CD1-CD1 3.62Å; L249-I275 HydrophobicContact CD1-CG1 3.83Å; I253-I275 HydrophobicContact CD1-CG1 4.41Å; I253-I275 HydrophobicContact CG2-CG1 4.26Å; R271-I275 HydrophobicContact CG-CD1 3.85Å; R271-I275 VanDerWaalsContact O-CG1 3.3Å; R271-I275 WeakPolarHBondContact O-CG1 3.44Å; R271-I275 PolarHBondContact O-N 3.33Å; I272-I275 PolarHBondContact O-N 3.17Å; I275-N277 PolarHBondContact O-N 2.81Å; I275-W278 PolarHBondContact O-N 2.81Å; I275-L279 HydrophobicContact CG2-CD1 4Å; I275-L279 HydrophobicContact CG2-CG 4.49Å; I275-L279 WeakPolarHBondContact O-CG 3.28Å; I275-L279 PolarHBondContact O-N 2.96Å
276F95.6Very high93.3Very high8 Ų853.1 Ų53.14%0.03524%0.237CC..Hα-helixtrans-57-52.1177.8-177.1-95.3000111.5P223 F224 L227 F235 I272 D273 W278 L279 L280P223-F276 WeakPolarHBondContact O-CZ 3.34Å; F224-F276 HydrophobicContact CD2-CD2 4.05Å; F224-F276 AromaticContact CD2-CE2 3.6Å; F224-F276 HydrophobicContact CD2-CE2 3.6Å; F224-F276 HydrophobicContact CD2-CZ 4.33Å; F224-F276 HydrophobicContact CE2-CD2 4.18Å; F224-F276 HydrophobicContact CE2-CE2 4.04Å; F224-F276 HydrophobicContact CG-CE2 4.45Å; L227-F276 HydrophobicContact CB-CD2 4.31Å; L227-F276 HydrophobicContact CB-CE2 3.61Å; L227-F276 HydrophobicContact CB-CZ 4.22Å; L227-F276 HydrophobicContact CD2-CD2 3.99Å; L227-F276 HydrophobicContact CD2-CE2 4.13Å; L227-F276 HydrophobicContact CG-CE2 4.46Å; F235-F276 HydrophobicContact CD2-CB 4.19Å; F235-F276 HydrophobicContact CD2-CD2 4.38Å; F235-F276 HydrophobicContact CE2-CB 3.83Å; F235-F276 HydrophobicContact CE2-CD2 4.22Å; I272-F276 WeakPolarHBondContact O-CB 3.45Å; I272-F276 PolarHBondContact O-N 2.98Å; D273-F276 PolarHBondContact O-N 3.39Å; F276-W278 VanDerWaalsContact C-N 3.32Å; F276-W278 PolarHBondContact O-N 3.27Å; F276-L279 PolarHBondContact O-N 2.94Å; F276-L280 HydrophobicContact CD1-CD1 3.96Å; F276-L280 HydrophobicContact CE1-CD1 3.52Å; F276-L280 HydrophobicContact CE1-CG 4.24Å; F276-L280 HydrophobicContact CZ-CD1 4.16Å; F276-L280 WeakPolarHBondContact O-CG 3.43Å; F276-L280 PolarHBondContact O-N 3.26Å
277N94.9Very high93.6Very high62 Ų6255 Ų5533%0.33224%0.238SC..Hα-helixtrans-68.8-28.4-179.8-71.6-56000113.4D273 I275D273-N277 VanDerWaalsContact CG-ND2 3.35Å; D273-N277 WeakPolarHBondContact O-CB 3.2Å; D273-N277 PolarHBondContact O-N 3.46Å; D273-N277 PolarHBondContact O-ND2 2.68Å; D273-N277 PolarHBondContact OD1-ND2 3.03Å; I275-N277 PolarHBondContact O-N 2.81Å
278W96.5Very high93.9Very high8 Ų849.5 Ų49.53%0.0321%0.212CC..Hα-helixtrans-68.7-47.2173.417667.7000111.4L238 P250 V252 I253 L256 A274 I275 F276 L280 R281 F282 P288 I292L238-W278 HydrophobicContact CD1-CZ3 3.81Å; P250-W278 HydrophobicContact CG-CH2 4.17Å; P250-W278 HydrophobicContact CG-CZ2 3.88Å; V252-W278 HydrophobicContact CG1-CG 4.45Å; I253-W278 HydrophobicContact CD1-CB 3.33Å; I253-W278 HydrophobicContact CD1-CD2 3.67Å; I253-W278 HydrophobicContact CD1-CE3 3.94Å; I253-W278 HydrophobicContact CD1-CG 3.41Å; I253-W278 VanDerWaalsContact CD1-CG 3.41Å; L256-W278 HydrophobicContact CD1-CB 3.77Å; A274-W278 WeakPolarHBondContact O-CB 3.5Å; A274-W278 PolarHBondContact O-N 3.49Å; I275-W278 PolarHBondContact O-N 2.81Å; F276-W278 VanDerWaalsContact C-N 3.32Å; F276-W278 PolarHBondContact O-N 3.27Å; W278-L280 VanDerWaalsContact C-N 3.3Å; W278-L280 PolarHBondContact O-N 3.43Å; W278-R281 VanDerWaalsContact O-CB 3.26Å; W278-R281 WeakPolarHBondContact O-CB 3.41Å; W278-R281 WeakPolarHBondContact O-CG 3.34Å; W278-R281 PolarHBondContact O-N 3.22Å; W278-R281 VanDerWaalsContact O-N 3.1Å; W278-F282 AromaticContact CD1-CE2 3.98Å; W278-F282 AromaticContact CD2-CE2 3.86Å; W278-F282 HydrophobicContact CD2-CE2 3.86Å; W278-F282 AromaticContact CE2-CE2 3.43Å; W278-F282 VanDerWaalsContact CE2-CE2 3.43Å; W278-F282 AromaticContact CE2-CZ 3.76Å; W278-F282 HydrophobicContact CE3-CE2 4.48Å; W278-F282 HydrophobicContact CG-CE2 4.19Å; W278-F282 HydrophobicContact CH2-CE2 4.37Å; W278-F282 AromaticContact CZ2-CE2 3.72Å; W278-F282 HydrophobicContact CZ2-CE2 3.72Å; W278-F282 AromaticContact CZ2-CZ 3.87Å; W278-F282 HydrophobicContact CZ2-CZ 3.87Å; W278-F282 AromaticContact NE1-CE2 3.52Å; W278-F282 AromaticContact NE1-CZ 3.58Å; W278-F282 WeakPolarHBondContact O-CD2 3.45Å; W278-F282 VanDerWaalsContact O-CE2 3.3Å; W278-F282 WeakPolarHBondContact O-CE2 3.34Å; W278-P288 HydrophobicContact CH2-CB 3.47Å; W278-P288 VanDerWaalsContact CH2-CB 3.47Å; W278-P288 HydrophobicContact CZ2-CB 4.07Å; W278-P288 HydrophobicContact CZ3-CB 3.93Å; W278-I292 HydrophobicContact CH2-CD1 4.02Å; W278-I292 HydrophobicContact CH2-CG1 4.06Å; W278-I292 HydrophobicContact CZ3-CD1 4.26Å
279L97Very high94.2Very high0 Ų046.7 Ų46.70%020%0.201CC..Hα-helixtrans-64.4-33.4-179.4-72.7171.9000112.9L227 M231 L234 F235 L238 I275 F276 R281 F282 P288L227-L279 HydrophobicContact CD1-CB 3.92Å; L227-L279 HydrophobicContact CD2-CD1 4.32Å; M231-L279 HydrophobicContact SD-CD2 4.15Å; L234-L279 HydrophobicContact CD2-CD2 3.9Å; L234-L279 HydrophobicContact CG-CD2 4.36Å; F235-L279 HydrophobicContact CB-CD1 3.52Å; F235-L279 HydrophobicContact CD2-CD1 4.43Å; F235-L279 HydrophobicContact CG-CD1 4.49Å; L238-L279 HydrophobicContact CD1-CD1 4.25Å; L238-L279 HydrophobicContact CD1-CD2 4.2Å; I275-L279 HydrophobicContact CG2-CD1 4Å; I275-L279 HydrophobicContact CG2-CG 4.49Å; I275-L279 WeakPolarHBondContact O-CG 3.28Å; I275-L279 PolarHBondContact O-N 2.96Å; F276-L279 PolarHBondContact O-N 2.94Å; L279-R281 PolarHBondContact O-N 3.08Å; L279-F282 PolarHBondContact O-N 3.42Å; L279-F282 VanDerWaalsContact O-N 3.08Å; L279-P288 HydrophobicContact CD2-CB 3.93Å; L279-P288 HydrophobicContact CD2-CG 4.23Å
280L95.4Very high94.3Very high69 Ų6949.9 Ų49.936%0.36123%0.225SC..THydrogen-bonded Turntrans-58.9-14.5174.1-75.2178.2000114.3K226 L227 F276 W278 F282K226-L280 HydrophobicContact CB-CD2 3.89Å; L227-L280 HydrophobicContact CB-CD2 4.43Å; L227-L280 HydrophobicContact CD1-CD2 3.98Å; L227-L280 HydrophobicContact CD1-CG 4.39Å; F276-L280 HydrophobicContact CD1-CD1 3.96Å; F276-L280 HydrophobicContact CE1-CD1 3.52Å; F276-L280 HydrophobicContact CE1-CG 4.24Å; F276-L280 HydrophobicContact CZ-CD1 4.16Å; F276-L280 WeakPolarHBondContact O-CG 3.43Å; F276-L280 PolarHBondContact O-N 3.26Å; W278-L280 VanDerWaalsContact C-N 3.3Å; W278-L280 PolarHBondContact O-N 3.43Å; L280-F282 VanDerWaalsContact C-N 3.31Å
281R95.2Very high94.5Very high148 Ų14849.2 Ų49.256%0.55823%0.23SC*.THydrogen-bonded Turntrans-78.5-15.8178-60175175.5-168.8-6.9113.2W278 L279W278-R281 VanDerWaalsContact O-CB 3.26Å; W278-R281 WeakPolarHBondContact O-CB 3.41Å; W278-R281 WeakPolarHBondContact O-CG 3.34Å; W278-R281 PolarHBondContact O-N 3.22Å; W278-R281 VanDerWaalsContact O-N 3.1Å; L279-R281 PolarHBondContact O-N 3.08Å
282F94.7Very high94.6Very high41 Ų4146.3 Ų46.318%0.1822%0.219CC..  trans-108143.9-174.3-53.6-78.3000110.5M231 W278 L279 L280 Q287 P288M231-F282 HydrophobicContact CE-CB 3.72Å; W278-F282 AromaticContact CD1-CE2 3.98Å; W278-F282 AromaticContact CD2-CE2 3.86Å; W278-F282 HydrophobicContact CD2-CE2 3.86Å; W278-F282 AromaticContact CE2-CE2 3.43Å; W278-F282 VanDerWaalsContact CE2-CE2 3.43Å; W278-F282 AromaticContact CE2-CZ 3.76Å; W278-F282 HydrophobicContact CE3-CE2 4.48Å; W278-F282 HydrophobicContact CG-CE2 4.19Å; W278-F282 HydrophobicContact CH2-CE2 4.37Å; W278-F282 AromaticContact CZ2-CE2 3.72Å; W278-F282 HydrophobicContact CZ2-CE2 3.72Å; W278-F282 AromaticContact CZ2-CZ 3.87Å; W278-F282 HydrophobicContact CZ2-CZ 3.87Å; W278-F282 AromaticContact NE1-CE2 3.52Å; W278-F282 AromaticContact NE1-CZ 3.58Å; W278-F282 WeakPolarHBondContact O-CD2 3.45Å; W278-F282 VanDerWaalsContact O-CE2 3.3Å; W278-F282 WeakPolarHBondContact O-CE2 3.34Å; L279-F282 PolarHBondContact O-N 3.42Å; L279-F282 VanDerWaalsContact O-N 3.08Å; L280-F282 VanDerWaalsContact C-N 3.31Å; F282-Q287 HydrophobicContact CD1-CB 3.64Å; F282-Q287 HydrophobicContact CE1-CB 4.12Å; F282-Q287 HydrophobicContact CG-CB 4.44Å; F282-P288 HydrophobicContact CB-CG 4.34Å; F282-P288 HydrophobicContact CD2-CB 4Å; F282-P288 HydrophobicContact CD2-CG 4.16Å; F282-P288 HydrophobicContact CE2-CB 4.11Å; F282-P288 HydrophobicContact CG-CB 4.4Å; F282-P288 HydrophobicContact CG-CG 4.19Å
283R88.7Confident94.7Very high248 Ų24847.2 Ų47.294%0.93622%0.223SC*.SBendtrans-95.6-21.9171.9-64.1-176-179.1-178.1-0.3112.6
284D90.4Very high94.7Very high45 Ų4549.6 Ų49.624%0.24124%0.241CC..SBendtrans-130.7138.1-169.2170.264.7000109.7M231 E286 P288 Y356M231-D284 WeakPolarHBondContact CE-O 3.23Å; D284-E286 VanDerWaalsContact C-N 3.3Å; D284-E286 PolarHBondContact O-N 3.41Å; D284-E286 VanDerWaalsContact OD2-CB 3.24Å; D284-E286 WeakPolarHBondContact OD2-CB 3.26Å; D284-E286 PolarHBondContact OD2-N 2.93Å; D284-E286 VanDerWaalsContact OD2-N 3.1Å; D284-P288 WeakPolarHBondContact O-CD 3.32Å; D284-Y356 WeakPolarHBondContact CA-OH 3.42Å; D284-Y356 VanDerWaalsContact OD1-CE2 3.24Å; D284-Y356 WeakPolarHBondContact OD1-CE2 3.43Å; D284-Y356 PolarHBondContact OD1-OH 2.93Å
285I92.3Very high94.7Very high11 Ų1152.1 Ų52.16%0.05626%0.255CS..THydrogen-bonded Turntrans-70-25.4-173.7-159.8-179.8000113.1P230 M231 L234 Q287 P288 L289 I312 Y356P230-I285 HydrophobicContact CB-CD1 3.97Å; P230-I285 HydrophobicContact CG-CB 4.05Å; P230-I285 HydrophobicContact CG-CD1 3.93Å; P230-I285 HydrophobicContact CG-CG1 4.4Å; P230-I285 HydrophobicContact CG-CG2 4.4Å; M231-I285 HydrophobicContact CE-CB 4.36Å; L234-I285 HydrophobicContact CB-CD1 4.47Å; L234-I285 HydrophobicContact CD2-CD1 4.31Å; L234-I285 HydrophobicContact CD2-CG1 3.82Å; I285-Q287 VanDerWaalsContact C-N 3.28Å; I285-Q287 PolarHBondContact O-N 3.4Å; I285-P288 WeakPolarHBondContact O-CD 3.25Å; I285-P288 VanDerWaalsContact O-CG 3.28Å; I285-P288 WeakPolarHBondContact O-CG 3.14Å; I285-L289 HydrophobicContact CD1-CD1 4.11Å; I285-L289 HydrophobicContact CG1-CD1 3.86Å; I285-L289 HydrophobicContact CG1-CG 4.09Å; I285-L289 HydrophobicContact CG2-CD1 4.25Å; I285-L289 WeakPolarHBondContact O-CB 3.29Å; I285-L289 VanDerWaalsContact O-CG 3.23Å; I285-L289 WeakPolarHBondContact O-CG 3.31Å; I285-L289 PolarHBondContact O-N 3.09Å; I285-L289 VanDerWaalsContact O-N 3.09Å; I285-I312 HydrophobicContact CD1-CD1 3.62Å; I285-Y356 PolarHBondContact N-OH 2.66Å
286E94.5Very high94.7Very high78 Ų7852.8 Ų52.836%0.36426%0.257SS..Hα-helixtrans-68.8-29.7-176.4-59.3-61.5138.500111.6D284 S290 R309D284-E286 VanDerWaalsContact C-N 3.3Å; D284-E286 PolarHBondContact O-N 3.41Å; D284-E286 VanDerWaalsContact OD2-CB 3.24Å; D284-E286 WeakPolarHBondContact OD2-CB 3.26Å; D284-E286 PolarHBondContact OD2-N 2.93Å; D284-E286 VanDerWaalsContact OD2-N 3.1Å; E286-S290 WeakPolarHBondContact O-CB 3.4Å; E286-S290 PolarHBondContact O-N 3.49Å; E286-R309 IonicContact OE1-CZ 2.63Å; E286-R309 IonicContact OE1-NH1 3.93Å; E286-R309 PolarHBondContact OE1-NH1 3.06Å; E286-R309 IonicContact OE1-NH2 2.68Å; E286-R309 PolarHBondContact OE1-NH2 3.35Å; E286-R309 VanDerWaalsContact OE1-NH2 3.15Å; E286-R309 IonicContact OE2-NH2 2.77Å; E286-R309 PolarHBondContact OE2-NH2 2.93Å
287Q94.8Very high94.7Very high108 Ų10854.7 Ų54.751%0.50527%0.272SS..Hα-helixtrans-64.2-55.2176.4-64.5-176.8-7.500114F282 I285 S291F282-Q287 HydrophobicContact CD1-CB 3.64Å; F282-Q287 HydrophobicContact CE1-CB 4.12Å; F282-Q287 HydrophobicContact CG-CB 4.44Å; I285-Q287 VanDerWaalsContact C-N 3.28Å; I285-Q287 PolarHBondContact O-N 3.4Å; Q287-S291 PolarHBondContact O-N 3.2Å; Q287-S291 VanDerWaalsContact O-N 3.09Å; Q287-S291 PolarHBondContact O-OG 3.22Å
288P95.5Very high94.6Very high0 Ų062.1 Ų62.10%030%0.295CS..Hα-helixtrans-65.5-37.2174.624.7-32000111.8M231 L234 W278 L279 F282 D284 I285 S291 I292M231-P288 HydrophobicContact CE-CG 3.9Å; M231-P288 HydrophobicContact SD-CG 4.05Å; L234-P288 HydrophobicContact CD2-CB 4.27Å; L234-P288 HydrophobicContact CD2-CG 3.98Å; W278-P288 HydrophobicContact CH2-CB 3.47Å; W278-P288 VanDerWaalsContact CH2-CB 3.47Å; W278-P288 HydrophobicContact CZ2-CB 4.07Å; W278-P288 HydrophobicContact CZ3-CB 3.93Å; L279-P288 HydrophobicContact CD2-CB 3.93Å; L279-P288 HydrophobicContact CD2-CG 4.23Å; F282-P288 HydrophobicContact CB-CG 4.34Å; F282-P288 HydrophobicContact CD2-CB 4Å; F282-P288 HydrophobicContact CD2-CG 4.16Å; F282-P288 HydrophobicContact CE2-CB 4.11Å; F282-P288 HydrophobicContact CG-CB 4.4Å; F282-P288 HydrophobicContact CG-CG 4.19Å; D284-P288 WeakPolarHBondContact O-CD 3.32Å; I285-P288 WeakPolarHBondContact O-CD 3.25Å; I285-P288 VanDerWaalsContact O-CG 3.28Å; I285-P288 WeakPolarHBondContact O-CG 3.14Å; P288-S291 WeakPolarHBondContact O-CB 3.31Å; P288-S291 PolarHBondContact O-N 3.49Å; P288-I292 VanDerWaalsContact O-CD1 3.31Å; P288-I292 WeakPolarHBondContact O-CD1 3.26Å; P288-I292 VanDerWaalsContact O-CG1 3.28Å; P288-I292 WeakPolarHBondContact O-CG1 3.42Å; P288-I292 PolarHBondContact O-N 2.8Å
289L95Very high94.4Very high1 Ų170.2 Ų70.21%0.00534%0.336CS..Hα-helixtrans-59.7-49.9175.7-75.7174.8000111.8L234 I285 S291 I292 L293 I308L234-L289 HydrophobicContact CD1-CD2 4.16Å; I285-L289 HydrophobicContact CD1-CD1 4.11Å; I285-L289 HydrophobicContact CG1-CD1 3.86Å; I285-L289 HydrophobicContact CG1-CG 4.09Å; I285-L289 HydrophobicContact CG2-CD1 4.25Å; I285-L289 WeakPolarHBondContact O-CB 3.29Å; I285-L289 VanDerWaalsContact O-CG 3.23Å; I285-L289 WeakPolarHBondContact O-CG 3.31Å; I285-L289 PolarHBondContact O-N 3.09Å; I285-L289 VanDerWaalsContact O-N 3.09Å; L289-S291 VanDerWaalsContact C-N 3.27Å; L289-S291 PolarHBondContact O-N 3.13Å; L289-I292 PolarHBondContact O-N 3.5Å; L289-I292 VanDerWaalsContact O-N 3.08Å; L289-L293 WeakPolarHBondContact O-CB 3.46Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.28Å; L289-L293 PolarHBondContact O-N 2.89Å; L289-I308 HydrophobicContact CD2-CB 4.44Å; L289-I308 HydrophobicContact CD2-CD1 4.21Å; L289-I308 HydrophobicContact CD2-CG2 3.63Å
290S95.3Very high94.2Very high81 Ų8174 Ų7457%0.56635%0.353SS*.Hα-helixtrans-57.1-42.5175.8-175.20000111.7E286 I292 L293 S294E286-S290 WeakPolarHBondContact O-CB 3.4Å; E286-S290 PolarHBondContact O-N 3.49Å; S290-I292 VanDerWaalsContact C-N 3.33Å; S290-I292 PolarHBondContact O-N 2.95Å; S290-L293 PolarHBondContact O-N 3.28Å; S290-S294 WeakPolarHBondContact O-CB 3.24Å; S290-S294 PolarHBondContact O-N 2.94Å
291S95.4Very high94.2Very high44 Ų4475.5 Ų75.531%0.30835%0.354SS..Hα-helixtrans-60.4-41.1176-58.60000112.2Q287 P288 L289 S294Q287-S291 PolarHBondContact O-N 3.2Å; Q287-S291 VanDerWaalsContact O-N 3.09Å; Q287-S291 PolarHBondContact O-OG 3.22Å; P288-S291 WeakPolarHBondContact O-CB 3.31Å; P288-S291 PolarHBondContact O-N 3.49Å; L289-S291 VanDerWaalsContact C-N 3.27Å; L289-S291 PolarHBondContact O-N 3.13Å; S291-S294 PolarHBondContact O-OG 2.91Å
292I95.3Very high94.1Very high0 Ų074.4 Ų74.40%036%0.359CS..Hα-helixtrans-70.7-50177.7-68.5154.6000111L238 I247 P250 W278 P288 L289 S290 S294 L295 Y296 I308L238-I292 HydrophobicContact CD1-CD1 3.82Å; L238-I292 HydrophobicContact CD2-CD1 3.57Å; L238-I292 HydrophobicContact CD2-CG1 4.41Å; L238-I292 HydrophobicContact CG-CD1 4.31Å; I247-I292 HydrophobicContact CG2-CG2 3.66Å; P250-I292 HydrophobicContact CG-CG1 4.47Å; W278-I292 HydrophobicContact CH2-CD1 4.02Å; W278-I292 HydrophobicContact CH2-CG1 4.06Å; W278-I292 HydrophobicContact CZ3-CD1 4.26Å; P288-I292 VanDerWaalsContact O-CD1 3.31Å; P288-I292 WeakPolarHBondContact O-CD1 3.26Å; P288-I292 VanDerWaalsContact O-CG1 3.28Å; P288-I292 WeakPolarHBondContact O-CG1 3.42Å; P288-I292 PolarHBondContact O-N 2.8Å; L289-I292 PolarHBondContact O-N 3.5Å; L289-I292 VanDerWaalsContact O-N 3.08Å; S290-I292 VanDerWaalsContact C-N 3.33Å; S290-I292 PolarHBondContact O-N 2.95Å; I292-S294 PolarHBondContact O-N 3.34Å; I292-L295 VanDerWaalsContact O-CB 3.23Å; I292-L295 WeakPolarHBondContact O-CB 3.32Å; I292-L295 WeakPolarHBondContact O-CG 3.46Å; I292-L295 PolarHBondContact O-N 3.28Å; I292-Y296 HydrophobicContact CG2-CE2 4.23Å; I292-Y296 WeakPolarHBondContact O-CD2 3.32Å; I292-I308 HydrophobicContact CG2-CD1 4.16Å
293L95.4Very high93.9Very high18 Ų1874.7 Ų74.79%0.09437%0.374CS..Hα-helixtrans-63.2-26.2-178.2-66.4174.3000112.3L289 S290 L295 Y296 R301 I304 E305L289-L293 WeakPolarHBondContact O-CB 3.46Å; L289-L293 VanDerWaalsContact O-CG 3.29Å; L289-L293 WeakPolarHBondContact O-CG 3.28Å; L289-L293 PolarHBondContact O-N 2.89Å; S290-L293 PolarHBondContact O-N 3.28Å; L293-L295 PolarHBondContact O-N 3.09Å; L293-Y296 PolarHBondContact O-N 3.1Å; L293-Y296 VanDerWaalsContact O-N 3.15Å; L293-R301 HydrophobicContact CB-CG 4.37Å; L293-R301 WeakPolarHBondContact O-CG 3.38Å; L293-R301 PolarHBondContact O-NE 3.07Å; L293-I304 HydrophobicContact CD2-CB 4.16Å; L293-I304 HydrophobicContact CD2-CG2 3.92Å; L293-E305 HydrophobicContact CD1-CB 3.99Å; L293-E305 HydrophobicContact CD1-CG 4.06Å; L293-E305 HydrophobicContact CD2-CB 3.91Å
294S96Very high94Very high70 Ų7064 Ų6449%0.4934%0.335SS..THydrogen-bonded Turntrans-60.5-22.3173.180.60000113.7S290 S291 I292 Y296S290-S294 WeakPolarHBondContact O-CB 3.24Å; S290-S294 PolarHBondContact O-N 2.94Å; S291-S294 PolarHBondContact O-OG 2.91Å; I292-S294 PolarHBondContact O-N 3.34Å; S294-Y296 VanDerWaalsContact C-N 3.26Å; S294-Y296 PolarHBondContact O-N 3.17Å
295L95.5Very high94.1Very high55 Ų5564.5 Ų64.529%0.28834%0.336SS..THydrogen-bonded Turntrans-81.4-5.5179.9-52.4173.9000113.4R248 P250 I292 L293R248-L295 HydrophobicContact CB-CB 4.07Å; R248-L295 HydrophobicContact CB-CD1 3.9Å; R248-L295 PolarHBondContact NH1-O 2.93Å; R248-L295 WeakPolarHBondContact O-CD1 3.43Å; P250-L295 HydrophobicContact CG-CD1 4.14Å; I292-L295 VanDerWaalsContact O-CB 3.23Å; I292-L295 WeakPolarHBondContact O-CB 3.32Å; I292-L295 WeakPolarHBondContact O-CG 3.46Å; I292-L295 PolarHBondContact O-N 3.28Å; L293-L295 PolarHBondContact O-N 3.09Å
296Y95.4Very high94.1Very high13 Ų1370.7 Ų70.75%0.05136%0.362CS..SBendtrans-113.1150.6-178.7-67-88.9000110.9N246 I247 R248 I292 L293 S294 E300 R301 I304N246-Y296 PolarHBondContact O-OH 3.46Å; I247-Y296 WeakPolarHBondContact CA-OH 3.43Å; R248-Y296 HydrophobicContact CB-CE2 3.87Å; R248-Y296 HydrophobicContact CG-CE1 4.06Å; R248-Y296 HydrophobicContact CG-CE2 4.23Å; R248-Y296 PolarHBondContact N-OH 3.16Å; I292-Y296 HydrophobicContact CG2-CE2 4.23Å; I292-Y296 WeakPolarHBondContact O-CD2 3.32Å; L293-Y296 PolarHBondContact O-N 3.1Å; L293-Y296 VanDerWaalsContact O-N 3.15Å; S294-Y296 VanDerWaalsContact C-N 3.26Å; S294-Y296 PolarHBondContact O-N 3.17Å; Y296-E300 HydrophobicContact CD1-CB 4.3Å; Y296-R301 PolarHBondContact O-NE 3.39Å; Y296-I304 HydrophobicContact CD1-CD1 4.24Å; Y296-I304 HydrophobicContact CD1-CG1 3.78Å; Y296-I304 HydrophobicContact CD2-CG1 4.4Å; Y296-I304 HydrophobicContact CD2-CG2 4.21Å; Y296-I304 HydrophobicContact CE1-CD1 3.71Å; Y296-I304 HydrophobicContact CE1-CG1 3.73Å; Y296-I304 HydrophobicContact CE2-CG1 4.38Å; Y296-I304 HydrophobicContact CE2-CG2 3.85Å; Y296-I304 HydrophobicContact CG-CG1 4.09Å
297S95.3Very high93.8Very high49 Ų4970.4 Ų70.434%0.34336%0.361SS..  trans-63.9156.3174.572.30000110.2M299 E300 R301S297-M299 PolarHBondContact O-N 3.21Å; S297-E300 VanDerWaalsContact CB-OE2 3.25Å; S297-E300 WeakPolarHBondContact CB-OE2 3.23Å; S297-E300 PolarHBondContact N-OE2 2.89Å; S297-E300 PolarHBondContact O-N 2.97Å; S297-E300 VanDerWaalsContact OG-CD 3.25Å; S297-E300 VanDerWaalsContact OG-CG 3.32Å; S297-E300 WeakPolarHBondContact OG-CG 3.23Å; S297-E300 PolarHBondContact OG-OE2 3.37Å; S297-R301 WeakPolarHBondContact O-CG 3.17Å; S297-R301 PolarHBondContact O-N 3.48Å
298R93.2Very high93.6Very high218 Ų21865.3 Ų65.382%0.82334%0.337SS*.THydrogen-bonded Turntrans-55.2-30.6-179.4-171.5177.3179.2-175.40.2113.1
299M93.3Very high93.4Very high178 Ų17868.4 Ų68.488%0.87735%0.349SS*.THydrogen-bonded Turntrans-76.2-24.7179.4-61.4-174.6-6400113.3S297S297-M299 PolarHBondContact O-N 3.21Å
300E92.7Very high93Very high80 Ų8072.9 Ų72.937%0.37437%0.372SS..THydrogen-bonded Turntrans-89.8-25.8-178.4-68.5164.4130.700112.3Y296 S297 D302 G303 I304Y296-E300 HydrophobicContact CD1-CB 4.3Å; S297-E300 VanDerWaalsContact CB-OE2 3.25Å; S297-E300 WeakPolarHBondContact CB-OE2 3.23Å; S297-E300 PolarHBondContact N-OE2 2.89Å; S297-E300 PolarHBondContact O-N 2.97Å; S297-E300 VanDerWaalsContact OG-CD 3.25Å; S297-E300 VanDerWaalsContact OG-CG 3.32Å; S297-E300 WeakPolarHBondContact OG-CG 3.23Å; S297-E300 PolarHBondContact OG-OE2 3.37Å; E300-D302 PolarHBondContact O-N 3.2Å; E300-G303 PolarHBondContact O-N 2.58Å; E300-G303 VanDerWaalsContact O-N 3.16Å; E300-I304 WeakPolarHBondContact O-CG1 3.23Å; E300-I304 PolarHBondContact O-N 2.99Å
301R94.2Very high92.5Very high99 Ų9969.1 Ų69.137%0.37435%0.346SS..Hα-helixtrans-53.2-50.5-170.1-77.1176.9-170.4-175.1-0.2113.7L293 Y296 S297 G303 I304 E305L293-R301 HydrophobicContact CB-CG 4.37Å; L293-R301 WeakPolarHBondContact O-CG 3.38Å; L293-R301 PolarHBondContact O-NE 3.07Å; Y296-R301 PolarHBondContact O-NE 3.39Å; S297-R301 WeakPolarHBondContact O-CG 3.17Å; S297-R301 PolarHBondContact O-N 3.48Å; R301-G303 VanDerWaalsContact C-N 3.27Å; R301-G303 PolarHBondContact O-N 2.74Å; R301-I304 PolarHBondContact O-N 3.44Å; R301-E305 WeakPolarHBondContact O-CB 3.4Å; R301-E305 PolarHBondContact O-N 2.95Å
302D92.4Very high92.3Very high125 Ų12567.3 Ų67.367%0.66833%0.333SS*.Hα-helixtrans-62.7-37.1-176.1-60.4-8000111.6E300 K306E300-D302 PolarHBondContact O-N 3.2Å; D302-K306 VanDerWaalsContact O-CB 3.29Å; D302-K306 WeakPolarHBondContact O-CB 3.19Å; D302-K306 PolarHBondContact O-N 3.33Å
303G90.8Very high91.9Very high47 Ų4767.9 Ų67.949%0.48534%0.337SS..Hα-helixtrans-67.6-46.6176.700000112.4E300 R301 K306 E307E300-G303 PolarHBondContact O-N 2.58Å; E300-G303 VanDerWaalsContact O-N 3.16Å; R301-G303 VanDerWaalsContact C-N 3.27Å; R301-G303 PolarHBondContact O-N 2.74Å; G303-K306 PolarHBondContact O-N 3.17Å; G303-E307 PolarHBondContact O-N 3.21Å
304I91.4Very high91.4Very high24 Ų2470.1 Ų70.112%0.12335%0.349CS..Hα-helixtrans-66.2-42.4178.4-63.2-63.4000111.4I247 L293 Y296 E300 R301 K306 E307 I308I247-I304 HydrophobicContact CD1-CG2 4.21Å; L293-I304 HydrophobicContact CD2-CB 4.16Å; L293-I304 HydrophobicContact CD2-CG2 3.92Å; Y296-I304 HydrophobicContact CD1-CD1 4.24Å; Y296-I304 HydrophobicContact CD1-CG1 3.78Å; Y296-I304 HydrophobicContact CD2-CG1 4.4Å; Y296-I304 HydrophobicContact CD2-CG2 4.21Å; Y296-I304 HydrophobicContact CE1-CD1 3.71Å; Y296-I304 HydrophobicContact CE1-CG1 3.73Å; Y296-I304 HydrophobicContact CE2-CG1 4.38Å; Y296-I304 HydrophobicContact CE2-CG2 3.85Å; Y296-I304 HydrophobicContact CG-CG1 4.09Å; E300-I304 WeakPolarHBondContact O-CG1 3.23Å; E300-I304 PolarHBondContact O-N 2.99Å; R301-I304 PolarHBondContact O-N 3.44Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 2.96Å; I304-E307 PolarHBondContact O-N 3.46Å; I304-I308 HydrophobicContact CG2-CD1 3.87Å; I304-I308 HydrophobicContact CG2-CG1 4.44Å; I304-I308 WeakPolarHBondContact O-CG1 2.93Å; I304-I308 PolarHBondContact O-N 3.21Å
305E93.4Very high91.1Very high55 Ų5567.1 Ų67.126%0.25733%0.327SS..Hα-helixtrans-60.7-44.7176.7-174.4175.716800110.8L293 R301 E307 I308 R309L293-E305 HydrophobicContact CD1-CB 3.99Å; L293-E305 HydrophobicContact CD1-CG 4.06Å; L293-E305 HydrophobicContact CD2-CB 3.91Å; R301-E305 WeakPolarHBondContact O-CB 3.4Å; R301-E305 PolarHBondContact O-N 2.95Å; E305-E307 PolarHBondContact O-N 3.4Å; E305-I308 PolarHBondContact O-N 3.13Å; E305-R309 HydrophobicContact CG-CG 4.42Å; E305-R309 WeakPolarHBondContact O-CB 3.35Å; E305-R309 WeakPolarHBondContact O-CG 3.31Å; E305-R309 PolarHBondContact O-N 3.25Å; E305-R309 IonicContact OE1-CZ 3.62Å; E305-R309 IonicContact OE1-NE 3.31Å; E305-R309 PolarHBondContact OE1-NE 3.42Å; E305-R309 IonicContact OE1-NH2 3.81Å; E305-R309 PolarHBondContact OE1-NH2 3.32Å
306K90.8Very high90.8Very high141 Ų14165 Ų6561%0.61332%0.316SS*.Hα-helixtrans-59.6-45.7175.1-176.9179.7177.9-177.90111.8D302 G303 I304 I308 R309 L310D302-K306 VanDerWaalsContact O-CB 3.29Å; D302-K306 WeakPolarHBondContact O-CB 3.19Å; D302-K306 PolarHBondContact O-N 3.33Å; G303-K306 PolarHBondContact O-N 3.17Å; I304-K306 VanDerWaalsContact C-N 3.31Å; I304-K306 PolarHBondContact O-N 2.96Å; K306-I308 PolarHBondContact O-N 3.16Å; K306-R309 PolarHBondContact O-N 3.34Å; K306-L310 HydrophobicContact CG-CD1 4Å; K306-L310 HydrophobicContact CG-CG 4.41Å; K306-L310 WeakPolarHBondContact O-CB 3.47Å; K306-L310 VanDerWaalsContact O-CG 3.28Å; K306-L310 WeakPolarHBondContact O-CG 3.29Å; K306-L310 PolarHBondContact O-N 2.83Å
307E88.1Confident90.4Very high73 Ų7365.3 Ų65.334%0.34132%0.318SS..Hα-helixtrans-59.2-46.2177.4-172.9-178.4165.800111.6I244 G303 I304 E305 L310 G311I244-E307 HydrophobicContact CD1-CG 3.75Å; I244-E307 WeakPolarHBondContact CD1-O 3.4Å; I244-E307 HydrophobicContact CG1-CG 3.97Å; I244-E307 WeakPolarHBondContact CG2-OE1 3.2Å; G303-E307 PolarHBondContact O-N 3.21Å; I304-E307 PolarHBondContact O-N 3.46Å; E305-E307 PolarHBondContact O-N 3.4Å; E307-L310 PolarHBondContact O-N 2.92Å; E307-G311 PolarHBondContact O-N 3.23Å
308I91.3Very high89.4Confident0 Ų065.4 Ų65.40%032%0.319CS..Hα-helixtrans-63-46.5177.3-65.6167.1000111.1L234 I237 I247 L289 I292 I304 E305 K306 L310 G311 I312L234-I308 HydrophobicContact CD1-CG2 3.75Å; I237-I308 HydrophobicContact CG2-CG1 4.38Å; I247-I308 HydrophobicContact CD1-CD1 4.33Å; I247-I308 HydrophobicContact CD1-CG1 4.02Å; I247-I308 HydrophobicContact CG2-CD1 4.45Å; L289-I308 HydrophobicContact CD2-CB 4.44Å; L289-I308 HydrophobicContact CD2-CD1 4.21Å; L289-I308 HydrophobicContact CD2-CG2 3.63Å; I292-I308 HydrophobicContact CG2-CD1 4.16Å; I304-I308 HydrophobicContact CG2-CD1 3.87Å; I304-I308 HydrophobicContact CG2-CG1 4.44Å; I304-I308 WeakPolarHBondContact O-CG1 2.93Å; I304-I308 PolarHBondContact O-N 3.21Å; E305-I308 PolarHBondContact O-N 3.13Å; K306-I308 PolarHBondContact O-N 3.16Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 2.96Å; I308-G311 PolarHBondContact O-N 3.06Å; I308-I312 HydrophobicContact CG2-CD1 3.94Å; I308-I312 HydrophobicContact CG2-CG1 4.47Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 3.33Å
309R91.1Very high88.2Confident65 Ų6558 Ų5825%0.24530%0.301CS..Hα-helixtrans-66-36.2-179-70.6-175.6-173-75-0112.3E286 E305 K306 S313E286-R309 IonicContact OE1-CZ 2.63Å; E286-R309 IonicContact OE1-NH1 3.93Å; E286-R309 PolarHBondContact OE1-NH1 3.06Å; E286-R309 IonicContact OE1-NH2 2.68Å; E286-R309 PolarHBondContact OE1-NH2 3.35Å; E286-R309 VanDerWaalsContact OE1-NH2 3.15Å; E286-R309 IonicContact OE2-NH2 2.77Å; E286-R309 PolarHBondContact OE2-NH2 2.93Å; E305-R309 HydrophobicContact CG-CG 4.42Å; E305-R309 WeakPolarHBondContact O-CB 3.35Å; E305-R309 WeakPolarHBondContact O-CG 3.31Å; E305-R309 PolarHBondContact O-N 3.25Å; E305-R309 IonicContact OE1-CZ 3.62Å; E305-R309 IonicContact OE1-NE 3.31Å; E305-R309 PolarHBondContact OE1-NE 3.42Å; E305-R309 IonicContact OE1-NH2 3.81Å; E305-R309 PolarHBondContact OE1-NH2 3.32Å; K306-R309 PolarHBondContact O-N 3.34Å; R309-S313 PolarHBondContact O-N 3.26Å; R309-S313 PolarHBondContact O-OG 2.67Å
310L85.9Confident87.2Confident96 Ų9652.8 Ų52.850%0.50328%0.282SS..Hα-helixtrans-63.9-49.1171.6-74172.2000110.7K306 E307 I308 I312 S313 D314K306-L310 HydrophobicContact CG-CD1 4Å; K306-L310 HydrophobicContact CG-CG 4.41Å; K306-L310 WeakPolarHBondContact O-CB 3.47Å; K306-L310 VanDerWaalsContact O-CG 3.28Å; K306-L310 WeakPolarHBondContact O-CG 3.29Å; K306-L310 PolarHBondContact O-N 2.83Å; E307-L310 PolarHBondContact O-N 2.92Å; I308-L310 VanDerWaalsContact C-N 3.35Å; I308-L310 PolarHBondContact O-N 2.96Å; L310-I312 VanDerWaalsContact C-N 3.3Å; L310-I312 PolarHBondContact O-N 3.33Å; L310-S313 CarbonylContact O-C 3.59Å; L310-S313 WeakPolarHBondContact O-CA 3.17Å; L310-S313 VanDerWaalsContact O-CB 3.25Å; L310-S313 WeakPolarHBondContact O-CB 3.41Å; L310-S313 PolarHBondContact O-N 3.38Å; L310-D314 PolarHBondContact O-N 3.4Å; L310-D314 VanDerWaalsContact O-N 3.16Å
311G86.7Confident86.9Confident1 Ų149.2 Ų49.21%0.0127%0.266CS..Hα-helixtrans-60.3-35.3177.900000114E307 I308 S313 D314 Y315E307-G311 PolarHBondContact O-N 3.23Å; I308-G311 PolarHBondContact O-N 3.06Å; G311-S313 VanDerWaalsContact C-N 3.29Å; G311-S313 PolarHBondContact O-N 3.26Å; G311-D314 PolarHBondContact O-N 3.16Å; G311-Y315 WeakPolarHBondContact O-CD2 3.3Å
312I89.7Confident86.7Confident7 Ų749.1 Ų49.14%0.03627%0.27CS..Hα-helixtrans-63.7-39172.2-69.1167.6000110.8Y229 P233 L234 I285 I308 L310 D314 Y315Y229-I312 HydrophobicContact CE2-CG2 4.44Å; P233-I312 HydrophobicContact CB-CB 4.25Å; P233-I312 HydrophobicContact CB-CG1 4.2Å; P233-I312 HydrophobicContact CB-CG2 3.99Å; L234-I312 HydrophobicContact CB-CD1 4.35Å; I285-I312 HydrophobicContact CD1-CD1 3.62Å; I308-I312 HydrophobicContact CG2-CD1 3.94Å; I308-I312 HydrophobicContact CG2-CG1 4.47Å; I308-I312 WeakPolarHBondContact O-CG1 3.48Å; I308-I312 PolarHBondContact O-N 3.33Å; L310-I312 VanDerWaalsContact C-N 3.3Å; L310-I312 PolarHBondContact O-N 3.33Å; I312-D314 PolarHBondContact O-N 3.05Å; I312-Y315 PolarHBondContact O-N 2.97Å
313S86.4Confident86.5Confident12 Ų1248.1 Ų48.18%0.08426%0.26CS..Hα-helixtrans-68.9-18.5179.6-54.90000113.4R309 L310 G311 Y315 L316 L363 K367R309-S313 PolarHBondContact O-N 3.26Å; R309-S313 PolarHBondContact O-OG 2.67Å; L310-S313 CarbonylContact O-C 3.59Å; L310-S313 WeakPolarHBondContact O-CA 3.17Å; L310-S313 VanDerWaalsContact O-CB 3.25Å; L310-S313 WeakPolarHBondContact O-CB 3.41Å; L310-S313 PolarHBondContact O-N 3.38Å; G311-S313 VanDerWaalsContact C-N 3.29Å; G311-S313 PolarHBondContact O-N 3.26Å; S313-Y315 VanDerWaalsContact C-N 3.28Å; S313-L316 WeakPolarHBondContact O-CB 3.35Å; S313-L316 PolarHBondContact O-N 2.9Å; S313-L363 VanDerWaalsContact OG-CD2 3.3Å; S313-L363 WeakPolarHBondContact OG-CD2 3.29Å; S313-K367 PolarHBondContact O-NZ 3.45Å
314D85.6Confident86.5Confident65 Ų6546.7 Ų46.735%0.34824%0.241SC..THydrogen-bonded Turntrans-75.5-17.7174.6-64.5-21.3000112.7I149 L310 G311 I312I149-D314 WeakPolarHBondContact CD1-O 3.49Å; L310-D314 PolarHBondContact O-N 3.4Å; L310-D314 VanDerWaalsContact O-N 3.16Å; G311-D314 PolarHBondContact O-N 3.16Å; I312-D314 PolarHBondContact O-N 3.05Å
315Y89.8Confident86.6Confident6 Ų645.5 Ų45.52%0.02424%0.235CC..THydrogen-bonded Turntrans-101.90.9173.2-66.9-78000113.5D168 I171 Y172 P233 A236 I237 N241 G311 I312 S313 L317D168-Y315 HydrophobicContact CB-CE1 3.82Å; D168-Y315 VanDerWaalsContact CG-OH 3.3Å; D168-Y315 PolarHBondContact OD1-OH 3.48Å; I171-Y315 HydrophobicContact CB-CD1 3.64Å; I171-Y315 HydrophobicContact CB-CE1 3.68Å; I171-Y315 HydrophobicContact CB-CG 4.37Å; I171-Y315 HydrophobicContact CG1-CD1 4.48Å; I171-Y315 HydrophobicContact CG1-CE1 4.03Å; I171-Y315 HydrophobicContact CG2-CD1 3.36Å; I171-Y315 HydrophobicContact CG2-CD2 4.09Å; I171-Y315 HydrophobicContact CG2-CE1 3.7Å; I171-Y315 HydrophobicContact CG2-CE2 4.37Å; I171-Y315 HydrophobicContact CG2-CG 3.58Å; Y172-Y315 HydrophobicContact CD1-CD1 4.03Å; Y172-Y315 AromaticContact CE1-CD1 3.71Å; Y172-Y315 HydrophobicContact CE1-CD1 3.71Å; Y172-Y315 HydrophobicContact CE1-CE1 4.5Å; Y172-Y315 HydrophobicContact CE1-CG 4.48Å; P233-Y315 HydrophobicContact CB-CD2 4.19Å; P233-Y315 HydrophobicContact CB-CG 4.43Å; A236-Y315 HydrophobicContact CB-CD2 4.28Å; A236-Y315 HydrophobicContact CB-CE2 3.56Å; I237-Y315 HydrophobicContact CD1-CE2 4.15Å; N241-Y315 PolarHBondContact ND2-OH 3.22Å; G311-Y315 WeakPolarHBondContact O-CD2 3.3Å; I312-Y315 PolarHBondContact O-N 2.97Å; S313-Y315 VanDerWaalsContact C-N 3.28Å; Y315-L317 PolarHBondContact O-N 3.38Å
316L88.8Confident86.4Confident10 Ų1050 Ų505%0.05226%0.256CS..  trans-75.9119.9179.7179.563.6000110N175 Y229 S313N175-L316 WeakPolarHBondContact ND2-CD1 3.41Å; Y229-L316 HydrophobicContact CE2-CD1 4.23Å; S313-L316 WeakPolarHBondContact O-CB 3.35Å; S313-L316 PolarHBondContact O-N 2.9Å
317L86.7Confident86.4Confident20 Ų2046.1 Ų46.111%0.10524%0.24CC..  trans-85.9109.4168.7-50.3-179000107.5I149 A152 E153 I156 Y172 Y315I149-L317 HydrophobicContact CG2-CD2 4.05Å; A152-L317 HydrophobicContact CB-CD2 4.07Å; E153-L317 HydrophobicContact CG-CB 4.19Å; E153-L317 HydrophobicContact CG-CD2 4.13Å; E153-L317 WeakPolarHBondContact OE1-CA 3.45Å; I156-L317 HydrophobicContact CD1-CD1 3.42Å; I156-L317 VanDerWaalsContact CD1-CD1 3.42Å; Y172-L317 HydrophobicContact CD1-CD2 3.75Å; Y172-L317 HydrophobicContact CE1-CD2 4.42Å; Y172-L317 HydrophobicContact CG-CD2 4.19Å; Y315-L317 PolarHBondContact O-N 3.38Å
318S74.5Confident86.6Confident51 Ų5144 Ų4436%0.35723%0.23SC..  trans-118.3-26.5-170.951.70000114.1E153E153-S318 PolarHBondContact OE1-N 3.31Å
319S68.6Low86.4Confident63 Ų6347.2 Ų47.244%0.44126%0.264SS..SBendtrans-99.6154.6-177.9220000112.1E153E153-S319 VanDerWaalsContact CD-O 3.3Å; E153-S319 PolarHBondContact OE1-N 3.46Å; E153-S319 PolarHBondContact OE1-OG 3.15Å; E153-S319 VanDerWaalsContact OE1-OG 3.1Å; E153-S319 WeakPolarHBondContact OE2-CB 3.27Å; E153-S319 PolarHBondContact OE2-OG 2.96Å
320S72.2Confident86.1Confident69 Ų6946.3 Ų46.348%0.48326%0.262SS..  trans-73.5128.6162.261.50000107.7E322S320-E322 PolarHBondContact O-N 3.24Å; S320-E322 VanDerWaalsContact OG-CB 3.28Å; S320-E322 WeakPolarHBondContact OG-CB 3.22Å; S320-E322 PolarHBondContact OG-OE2 3.19Å
321G85.8Confident85.3Confident4 Ų445.4 Ų45.44%0.04126%0.264CS..THydrogen-bonded Turntrans-61.912.4168.900000114.4L154 A325L154-G321 WeakPolarHBondContact CD1-O 3.09Å; G321-A325 WeakPolarHBondContact O-CB 3.14Å; G321-A325 PolarHBondContact O-N 3.49Å
322E90.3Very high83.9Confident97 Ų9749 Ų4945%0.45329%0.286SS..Hα-helixtrans-63-43.4-177.6-179.4168.8-168.500112.9Y157 S320 L324 A325 H326Y157-E322 HydrophobicContact CD2-CB 3.95Å; Y157-E322 HydrophobicContact CE1-CB 4.22Å; Y157-E322 HydrophobicContact CE1-CG 4.45Å; Y157-E322 HydrophobicContact CE2-CB 3.51Å; Y157-E322 HydrophobicContact CE2-CG 3.9Å; Y157-E322 HydrophobicContact CG-CB 4.48Å; Y157-E322 WeakPolarHBondContact OH-CG 3.42Å; S320-E322 PolarHBondContact O-N 3.24Å; S320-E322 VanDerWaalsContact OG-CB 3.28Å; S320-E322 WeakPolarHBondContact OG-CB 3.22Å; S320-E322 PolarHBondContact OG-OE2 3.19Å; E322-L324 PolarHBondContact O-N 2.77Å; E322-A325 WeakPolarHBondContact O-CB 3.26Å; E322-A325 PolarHBondContact O-N 3.07Å; E322-A325 VanDerWaalsContact O-N 3.17Å; E322-H326 WeakPolarHBondContact O-CB 3.47Å; E322-H326 PolarHBondContact O-N 3.25Å
323K88.3Confident82.1Confident104 Ų10456.4 Ų56.445%0.45232%0.32SS..Hα-helixtrans-59.2-49.4179.3-178.6173.4-180169.70111A325 H326 E327 D373K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 3.43Å; K323-H326 PolarHBondContact O-N 2.98Å; K323-E327 WeakPolarHBondContact O-CG 3.3Å; K323-E327 PolarHBondContact O-N 3.39Å; K323-D373 IonicContact NZ-OD1 3.54Å; K323-D373 PolarHBondContact NZ-OD1 2.87Å; K323-D373 IonicContact NZ-OD2 2.78Å; K323-D373 PolarHBondContact NZ-OD2 3.42Å
324L91.3Very high79.9Confident17 Ų1763.8 Ų63.89%0.08935%0.353CS..Hα-helixtrans-63.7-40.1175.5-75.1171.1000111.9I141 N150 L154 E322 E327 L328I141-L324 HydrophobicContact CD1-CD2 4.31Å; I141-L324 HydrophobicContact CG2-CD2 4.05Å; N150-L324 HydrophobicContact CB-CD1 3.59Å; L154-L324 HydrophobicContact CD1-CB 4.19Å; E322-L324 PolarHBondContact O-N 2.77Å; L324-E327 PolarHBondContact O-N 2.93Å; L324-L328 WeakPolarHBondContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CD1 3.36Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.43Å; L324-L328 PolarHBondContact O-N 3.45Å
325A92.5Very high77.9Confident0 Ų066.3 Ų66.30%036%0.357CS..Hα-helixtrans-59.4-47.7175.500000111.5L154 Y157 L158 G321 E322 K323 E327 L328 G329 F330L154-A325 HydrophobicContact CD1-CB 3.8Å; Y157-A325 HydrophobicContact CD1-CB 3.52Å; Y157-A325 HydrophobicContact CE1-CB 3.45Å; Y157-A325 VanDerWaalsContact CE1-CB 3.45Å; L158-A325 HydrophobicContact CD2-CB 4.06Å; G321-A325 WeakPolarHBondContact O-CB 3.14Å; G321-A325 PolarHBondContact O-N 3.49Å; E322-A325 WeakPolarHBondContact O-CB 3.26Å; E322-A325 PolarHBondContact O-N 3.07Å; E322-A325 VanDerWaalsContact O-N 3.17Å; K323-A325 VanDerWaalsContact C-N 3.34Å; K323-A325 PolarHBondContact O-N 3.43Å; A325-E327 PolarHBondContact O-N 3.47Å; A325-L328 CarbonylContact O-C 3.58Å; A325-L328 PolarHBondContact O-N 2.92Å; A325-G329 PolarHBondContact O-N 3.18Å; A325-G329 VanDerWaalsContact O-N 3.09Å; A325-F330 CarbonylContact C-O 3.57Å; A325-F330 HydrophobicContact CB-CB 4.12Å; A325-F330 WeakPolarHBondContact O-CB 3.47Å; A325-F330 PolarHBondContact O-N 2.93Å
326H90.8Very high75.3Confident149 Ų14973.2 Ų73.269%0.6940%0.395SS*.Hα-helixtrans-62-43.5177.8179-89.7000111.9E322 K323 L328 G329E322-H326 WeakPolarHBondContact O-CB 3.47Å; E322-H326 PolarHBondContact O-N 3.25Å; K323-H326 PolarHBondContact O-N 2.98Å; H326-L328 VanDerWaalsContact C-N 3.25Å; H326-L328 PolarHBondContact O-N 2.92Å; H326-G329 WeakPolarHBondContact O-CA 3.31Å; H326-G329 PolarHBondContact O-N 3.37Å
327E90.1Very high72.8Confident60 Ų6078.1 Ų78.128%0.2843%0.429SS..Hα-helixtrans-63.5-31.4176.2-72.4179.7-17200113.3I141 K323 L324 A325 G329 K393I141-E327 HydrophobicContact CD1-CB 3.77Å; I141-E327 VanDerWaalsContact CD1-OE2 3.26Å; I141-E327 WeakPolarHBondContact CD1-OE2 3.22Å; K323-E327 WeakPolarHBondContact O-CG 3.3Å; K323-E327 PolarHBondContact O-N 3.39Å; L324-E327 PolarHBondContact O-N 2.93Å; A325-E327 PolarHBondContact O-N 3.47Å; E327-G329 VanDerWaalsContact C-N 3.27Å; E327-K393 IonicContact OE1-NZ 3.65Å; E327-K393 PolarHBondContact OE1-NZ 3.37Å; E327-K393 WeakPolarHBondContact OE2-CE 3.48Å; E327-K393 IonicContact OE2-NZ 2.8Å; E327-K393 PolarHBondContact OE2-NZ 3.32Å
328L91.5Very high70.1Confident28 Ų2881 Ų8115%0.14745%0.451CS..THydrogen-bonded Turntrans-82.6-1.6173-73.1165.6000113.1I74 I76 P139 I141 L154 L324 A325 H326 F330I74-L328 HydrophobicContact CG2-CD1 3.62Å; I74-L328 HydrophobicContact CG2-CD2 4.4Å; I76-L328 HydrophobicContact CD1-CD1 4.08Å; P139-L328 HydrophobicContact CB-CD2 4.22Å; I141-L328 HydrophobicContact CB-CD2 3.94Å; I141-L328 HydrophobicContact CB-CG 4.39Å; I141-L328 HydrophobicContact CG2-CD1 4Å; I141-L328 HydrophobicContact CG2-CD2 3.9Å; I141-L328 HydrophobicContact CG2-CG 4Å; L154-L328 HydrophobicContact CD2-CD1 3.8Å; L324-L328 WeakPolarHBondContact O-CB 3.32Å; L324-L328 WeakPolarHBondContact O-CD1 3.36Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.43Å; L324-L328 PolarHBondContact O-N 3.45Å; A325-L328 CarbonylContact O-C 3.58Å; A325-L328 PolarHBondContact O-N 2.92Å; H326-L328 VanDerWaalsContact C-N 3.25Å; H326-L328 PolarHBondContact O-N 2.92Å; L328-F330 HydrophobicContact CB-CD2 3.52Å; L328-F330 HydrophobicContact CB-CE2 3.71Å; L328-F330 HydrophobicContact CD1-CD2 4.47Å; L328-F330 HydrophobicContact CD1-CE2 4.38Å
329G88.2Confident68Low68 Ų6883.6 Ų83.670%0.70147%0.47SS*.THydrogen-bonded Turntrans79.416.418000000114.9A325 H326 E327A325-G329 PolarHBondContact O-N 3.18Å; A325-G329 VanDerWaalsContact O-N 3.09Å; H326-G329 WeakPolarHBondContact O-CA 3.31Å; H326-G329 PolarHBondContact O-N 3.37Å; E327-G329 VanDerWaalsContact C-N 3.27Å
330F84.3Confident66Low45 Ų4591 Ų9120%0.19749%0.494CS..  trans-88.4124.4173.5-64.4-77.7000110.6I74 L158 A325 L328I74-F330 HydrophobicContact CD1-CD2 4.33Å; I74-F330 HydrophobicContact CD1-CE1 4.18Å; I74-F330 HydrophobicContact CD1-CE2 3.47Å; I74-F330 VanDerWaalsContact CD1-CE2 3.47Å; I74-F330 HydrophobicContact CD1-CZ 3.38Å; I74-F330 HydrophobicContact CG1-CE2 3.99Å; I74-F330 HydrophobicContact CG1-CZ 3.83Å; L158-F330 HydrophobicContact CD1-CD2 4.46Å; L158-F330 HydrophobicContact CD2-CB 3.88Å; L158-F330 HydrophobicContact CD2-CG 4.18Å; A325-F330 CarbonylContact C-O 3.57Å; A325-F330 HydrophobicContact CB-CB 4.12Å; A325-F330 WeakPolarHBondContact O-CB 3.47Å; A325-F330 PolarHBondContact O-N 2.93Å; L328-F330 HydrophobicContact CB-CD2 3.52Å; L328-F330 HydrophobicContact CB-CE2 3.71Å; L328-F330 HydrophobicContact CD1-CD2 4.47Å; L328-F330 HydrophobicContact CD1-CE2 4.38Å
331S69.9Low64Low78 Ų7895.4 Ų95.455%0.54551%0.511SS..  trans-111.6144.3167.7173.80000110.2E333S331-E333 VanDerWaalsContact C-N 3.31Å; S331-E333 PolarHBondContact OG-N 2.97Å
332T57.5Low61.3Low77 Ų7798.4 Ų98.447%0.47254%0.542SS..SBendtrans-78.7-11.3177.141.30000113.4Y157 H334 R335Y157-T332 HydrophobicContact CE1-CG2 3.65Å; Y157-T332 HydrophobicContact CE2-CG2 4.22Å; Y157-T332 VanDerWaalsContact CZ-CG2 3.47Å; Y157-T332 VanDerWaalsContact OH-CG2 3.3Å; Y157-T332 WeakPolarHBondContact OH-CG2 3.32Å; Y157-T332 PolarHBondContact OH-OG1 3.43Å; T332-H334 PolarHBondContact O-N 3.2Å; T332-R335 PolarHBondContact O-N 3.4Å
333E51.8Low58.3Low162 Ų16299.2 Ų99.276%0.75756%0.558SS**THydrogen-bonded Turntrans-62.1-9.3-171.8-70-172.9163.900115.4S331S331-E333 VanDerWaalsContact C-N 3.31Å; S331-E333 PolarHBondContact OG-N 2.97Å
334H39.1Very low55.5Low167 Ų16799.2 Ų99.277%0.77357%0.572SS**THydrogen-bonded Turntrans-123.412.4-174.4-70.4-29.3000116.9T332T332-H334 PolarHBondContact O-N 3.2Å
335R43.6Very low52.3Low118 Ų118106 Ų10645%0.44561%0.608SS.*  trans-101.1-4.6179.6-76.5-169.3176-171.4-0.5117.4L158 T332 S337L158-R335 PolarHBondContact O-NH1 3.06Å; T332-R335 PolarHBondContact O-N 3.4Å; R335-S337 PolarHBondContact O-N 3.49Å; R335-S337 VanDerWaalsContact O-N 3.15Å
336D36.1Very low49.4Very low151 Ų151112.7 Ų112.781%0.80764%0.642SS**THydrogen-bonded Turntrans-76.64.6-179.4-84.8-13.4000115.7R159R159-D336 IonicContact NH1-OD1 2.67Å
337S35.4Very low46.3Very low112 Ų112114.4 Ų114.478%0.78365%0.651SS**THydrogen-bonded Turntrans-110.53.4-176.960.70000116.7R335R335-S337 PolarHBondContact O-N 3.49Å; R335-S337 VanDerWaalsContact O-N 3.15Å
338S30.9Very low43.4Very low80 Ų80118.6 Ų118.656%0.55968%0.675SS**SBendtrans-146.5129.9171.275.30000114.8
339S29.8Very low40.4Very low107 Ų107122 Ų12275%0.74870%0.699SS**  trans79.672.8178.274.80000117.4L341S339-L341 PolarHBondContact O-N 3.44Å
340K27.4Very low37.5Very low219 Ų219128.3 Ų128.395%0.95271%0.71SS**  trans-62.979.7137.1-72.9-176177.9-178.20107.8
341L30.5Very low34.9Very low161 Ų161132 Ų13284%0.84374%0.737SS**  trans-77124.6166.7-159.273.2000106.7S339 S343S339-L341 PolarHBondContact O-N 3.44Å; L341-S343 PolarHBondContact O-N 2.71Å
342G27.4Very low32.9Very low66 Ų66133.7 Ų133.768%0.6875%0.748SS**  trans-43115.7-162.500000115S344G342-S344 VanDerWaalsContact C-N 3.27Å; G342-S344 PolarHBondContact O-N 3.26Å
343S28.2Very low31.7Very low114 Ų114135.3 Ų135.380%0.79776%0.761SS**  trans-66.290.4154.751.10000107.7L341 N345L341-S343 PolarHBondContact O-N 2.71Å; S343-N345 PolarHBondContact O-N 3.22Å
344S28.7Very low30.6Very low105 Ų105129.9 Ų129.973%0.73475%0.749SS**  trans-63.9114.8161.927.40000108.2G342 I346G342-S344 VanDerWaalsContact C-N 3.27Å; G342-S344 PolarHBondContact O-N 3.26Å; S344-I346 PolarHBondContact O-N 2.88Å; S344-I346 VanDerWaalsContact O-N 3.13Å
345N25.2Very low30.5Very low158 Ų158127 Ų12785%0.84575%0.748SS**  trans-34.5108.3175.4-64.5-37000112.8S343S343-N345 PolarHBondContact O-N 3.22Å
346I30.7Very low30.1Very low142 Ų142124.9 Ų124.973%0.72874%0.74SS**  trans-102.9112.2158.8-64174.8000105S344 D348S344-I346 PolarHBondContact O-N 2.88Å; S344-I346 VanDerWaalsContact O-N 3.13Å; I346-D348 PolarHBondContact O-N 3.18Å
347Q26.1Very low29.9Very low185 Ų185122.3 Ų122.386%0.86473%0.733SS**PPolyproline II helixtrans-65.5117.5170.1-76.8175.9-2400108.2P349Q347-P349 WeakPolarHBondContact O-CD 3.46Å
348D28.6Very low30.1Very low147 Ų147123.3 Ų123.379%0.78673%0.725SS**PPolyproline II helixtrans-65.9125.3170.2-82.8-42.4000110.5I346I346-D348 PolarHBondContact O-N 3.18Å
349P28.4Very low30.5Very low101 Ų101124 Ų12466%0.65672%0.722SS**PPolyproline II helixtrans-81.4116.2153.59.38.7000107.8Q347 T351Q347-P349 WeakPolarHBondContact O-CD 3.46Å; P349-T351 PolarHBondContact O-N 2.73Å; P349-T351 PolarHBondContact O-OG1 2.93Å; P349-T351 VanDerWaalsContact O-OG1 3.11Å
350E27.2Very low31Very low199 Ų199121.4 Ų121.493%0.9370%0.7SS**  trans-42.396.1169.7-67.5177.8162.800110.8
351T31Very low31.7Very low124 Ų124112.8 Ų112.876%0.76167%0.667SS**  trans-98.4101171.4-50.10000105.9P349 C353P349-T351 PolarHBondContact O-N 2.73Å; P349-T351 PolarHBondContact O-OG1 2.93Å; P349-T351 VanDerWaalsContact O-OG1 3.11Å; T351-C353 PolarHBondContact O-N 2.92Å
352S28.5Very low32.1Very low112 Ų112111 Ų11178%0.78365%0.653SS**  trans-57.7112.5177.9710000109.3G354S352-G354 PolarHBondContact O-N 3.12Å
353C31.1Very low32.7Very low112 Ų112109.9 Ų109.976%0.75763%0.631SS**  trans-73.379.2174.3-151.20000108.4T351T351-C353 PolarHBondContact O-N 2.92Å
354G29Very low33Very low47 Ų47105.8 Ų105.849%0.48560%0.602SS.*  trans-83.4131.617600000111S352 Y356S352-G354 PolarHBondContact O-N 3.12Å; G354-Y356 PolarHBondContact O-N 3.43Å
355S37.1Very low33.1Very low108 Ų108107.8 Ų107.876%0.75560%0.597SS**SBendtrans55.7-13162.7-164.90000119.8C357S355-C357 VanDerWaalsContact C-N 3.33Å; S355-C357 PolarHBondContact O-N 3.45Å
356Y35.4Very low33.4Very low73 Ų73107.2 Ų107.229%0.28659%0.594SS.*Hα-helixtrans-70.4-25.3-174.4-108.4-93.9000114.2P230 D284 I285 G354 E358 L360P230-Y356 HydrophobicContact CG-CE1 4.19Å; D284-Y356 WeakPolarHBondContact CA-OH 3.42Å; D284-Y356 VanDerWaalsContact OD1-CE2 3.24Å; D284-Y356 WeakPolarHBondContact OD1-CE2 3.43Å; D284-Y356 PolarHBondContact OD1-OH 2.93Å; I285-Y356 PolarHBondContact N-OH 2.66Å; G354-Y356 PolarHBondContact O-N 3.43Å; Y356-E358 PolarHBondContact O-N 2.91Å; Y356-L360 HydrophobicContact CD1-CD1 4.28Å; Y356-L360 PolarHBondContact O-N 3.32Å
357C32.6Very low33.5Very low96 Ų96104.2 Ų104.265%0.64958%0.576SS**Hα-helixtrans-63.5-24.5-179.9-80.50000113.4S355 S361S355-C357 VanDerWaalsContact C-N 3.33Å; S355-C357 PolarHBondContact O-N 3.45Å; C357-S361 VanDerWaalsContact O-CB 3.23Å; C357-S361 WeakPolarHBondContact O-CB 3.42Å; C357-S361 PolarHBondContact O-N 3.18Å
358E37.8Very low33.6Very low134 Ų13499.8 Ų99.863%0.62656%0.557SS**Hα-helixtrans-76.5-46.3-175-76-170.7169.500113.3Y356 S361 K362Y356-E358 PolarHBondContact O-N 2.91Å; E358-S361 WeakPolarHBondContact O-CB 3.26Å; E358-S361 PolarHBondContact O-N 3.2Å; E358-S361 PolarHBondContact O-OG 3.49Å; E358-K362 PolarHBondContact O-N 3.1Å
359D39.6Very low33.6Very low93 Ų93100.3 Ų100.350%0.49756%0.56SS.*Hα-helixtrans-76.1-30.1178.8-80.7-22.8000112.4S361 K362 L363D359-S361 VanDerWaalsContact C-N 3.32Å; D359-K362 WeakPolarHBondContact O-CB 3.49Å; D359-K362 PolarHBondContact O-N 3.06Å; D359-K362 VanDerWaalsContact O-N 3.15Å; D359-K362 IonicContact OD1-NZ 3.74Å; D359-K362 PolarHBondContact OD1-NZ 2.76Å; D359-L363 PolarHBondContact O-N 3.39Å
360L41.7Very low34Very low54 Ų54100.2 Ų100.228%0.28355%0.554SS.*Hα-helixtrans-66.2-35167.7-74.3169000111.8Y229 Y356 K362 L363 S364Y229-L360 HydrophobicContact CE1-CD1 4.29Å; Y229-L360 HydrophobicContact CE1-CD2 3.79Å; Y229-L360 WeakPolarHBondContact OH-CD2 3.49Å; Y356-L360 HydrophobicContact CD1-CD1 4.28Å; Y356-L360 PolarHBondContact O-N 3.32Å; L360-K362 VanDerWaalsContact C-N 3.25Å; L360-K362 PolarHBondContact O-N 2.93Å; L360-L363 PolarHBondContact O-N 2.88Å; L360-S364 WeakPolarHBondContact O-CB 3.4Å; L360-S364 PolarHBondContact O-N 2.89Å; L360-S364 PolarHBondContact O-OG 3.37Å
361S41.7Very low34.2Very low38 Ų3898.6 Ų98.627%0.26655%0.552SS.*Hα-helixtrans-64.2-30.3171.582.30000112.3C357 E358 D359 S364 K365C357-S361 VanDerWaalsContact O-CB 3.23Å; C357-S361 WeakPolarHBondContact O-CB 3.42Å; C357-S361 PolarHBondContact O-N 3.18Å; E358-S361 WeakPolarHBondContact O-CB 3.26Å; E358-S361 PolarHBondContact O-N 3.2Å; E358-S361 PolarHBondContact O-OG 3.49Å; D359-S361 VanDerWaalsContact C-N 3.32Å; S361-S364 WeakPolarHBondContact CA-OG 3.33Å; S361-S364 PolarHBondContact O-OG 3.37Å; S361-K365 WeakPolarHBondContact O-CB 3.35Å; S361-K365 WeakPolarHBondContact O-CD 3.31Å; S361-K365 WeakPolarHBondContact O-CG 3.35Å; S361-K365 PolarHBondContact O-N 3.06Å
362K39.4Very low34.4Very low124 Ų12499.6 Ų99.654%0.53955%0.545SS..Hα-helixtrans-74.8-38.9175.5-67.4175.9-165.2151.60112E358 D359 L360 L366E358-K362 PolarHBondContact O-N 3.1Å; D359-K362 WeakPolarHBondContact O-CB 3.49Å; D359-K362 PolarHBondContact O-N 3.06Å; D359-K362 VanDerWaalsContact O-N 3.15Å; D359-K362 IonicContact OD1-NZ 3.74Å; D359-K362 PolarHBondContact OD1-NZ 2.76Å; L360-K362 VanDerWaalsContact C-N 3.25Å; L360-K362 PolarHBondContact O-N 2.93Å; K362-L366 PolarHBondContact O-N 3.38Å
363L38.7Very low35.3Very low41 Ų4199.1 Ų99.122%0.21553%0.534CS..Hα-helixtrans-75.1-36.9177.7-136.277.6000111.9S313 D359 L360 L366S313-L363 VanDerWaalsContact OG-CD2 3.3Å; S313-L363 WeakPolarHBondContact OG-CD2 3.29Å; D359-L363 PolarHBondContact O-N 3.39Å; L360-L363 PolarHBondContact O-N 2.88Å; L363-L366 WeakPolarHBondContact O-CB 3.23Å; L363-L366 PolarHBondContact O-N 2.75Å
364S35.2Very low36.2Very low28 Ų28101 Ų10120%0.19654%0.536CS..Hα-helixtrans-73.7-34.1173.873.50000111.6L360 S361 L366 K367 L368L360-S364 WeakPolarHBondContact O-CB 3.4Å; L360-S364 PolarHBondContact O-N 2.89Å; L360-S364 PolarHBondContact O-OG 3.37Å; S361-S364 WeakPolarHBondContact CA-OG 3.33Å; S361-S364 PolarHBondContact O-OG 3.37Å; S364-L366 PolarHBondContact O-N 3.25Å; S364-K367 CarbonylContact O-C 3.57Å; S364-K367 PolarHBondContact O-N 3.13Å; S364-L368 VanDerWaalsContact CB-CD1 3.45Å; S364-L368 WeakPolarHBondContact O-CB 3.07Å; S364-L368 VanDerWaalsContact O-CG 3.23Å; S364-L368 WeakPolarHBondContact O-CG 3.4Å; S364-L368 PolarHBondContact O-N 3.31Å; S364-L368 VanDerWaalsContact OG-CD1 3.3Å; S364-L368 WeakPolarHBondContact OG-CD1 3.49Å
365K30.2Very low37.7Very low147 Ų147103.4 Ų103.464%0.63954%0.539SS*.THydrogen-bonded Turntrans-60.9-20.1169.4-82.6168.3-171.8175.70113.9S361 K367S361-K365 WeakPolarHBondContact O-CB 3.35Å; S361-K365 WeakPolarHBondContact O-CD 3.31Å; S361-K365 WeakPolarHBondContact O-CG 3.35Å; S361-K365 PolarHBondContact O-N 3.06Å; K365-K367 VanDerWaalsContact C-N 3.25Å
366L32.3Very low39.9Very low147 Ų147101.1 Ų101.177%0.7752%0.518SS*.THydrogen-bonded Turntrans-75.3-12.2170.7-73.1163.3000113.1K362 L363 S364K362-L366 PolarHBondContact O-N 3.38Å; L363-L366 WeakPolarHBondContact O-CB 3.23Å; L363-L366 PolarHBondContact O-N 2.75Å; S364-L366 PolarHBondContact O-N 3.25Å
367K31.8Very low42.4Very low79 Ų79104.2 Ų104.234%0.34353%0.533SS..THydrogen-bonded Turntrans-124.5-15175.9-74.3-171.8174.8-176.50114.9S313 S364 K365 D369S313-K367 PolarHBondContact O-NZ 3.45Å; S364-K367 CarbonylContact O-C 3.57Å; S364-K367 PolarHBondContact O-N 3.13Å; K365-K367 VanDerWaalsContact C-N 3.25Å; K367-D369 PolarHBondContact O-N 3.49Å
368L28.9Very low45Very low91 Ų91103.8 Ų103.848%0.47652%0.524SS..  trans-89.810.2-168.4-79.8175.6000115.8S364 D370S364-L368 VanDerWaalsContact CB-CD1 3.45Å; S364-L368 WeakPolarHBondContact O-CB 3.07Å; S364-L368 VanDerWaalsContact O-CG 3.23Å; S364-L368 WeakPolarHBondContact O-CG 3.4Å; S364-L368 PolarHBondContact O-N 3.31Å; S364-L368 VanDerWaalsContact OG-CD1 3.3Å; S364-L368 WeakPolarHBondContact OG-CD1 3.49Å; L368-D370 PolarHBondContact O-N 3.37Å
369D28.9Very low47.7Very low158 Ų15898.1 Ų98.185%0.84550%0.499SS*.  trans-79.519.9169.9-97.9-10.3000113K367 N371K367-D369 PolarHBondContact O-N 3.49Å; D369-N371 VanDerWaalsContact C-N 3.31Å; D369-N371 PolarHBondContact O-N 3.15Å
370D36.3Very low50.4Low100 Ų10093.7 Ų93.754%0.53548%0.476SS..  trans-78.92.2-178.3-76.8-9.8000115.3L368 K372L368-D370 PolarHBondContact O-N 3.37Å; D370-K372 PolarHBondContact O-N 3.43Å; D370-K372 VanDerWaalsContact O-N 3.16Å
371N31Very low53Low164 Ų16492.4 Ų92.488%0.87747%0.468SS*.SBendtrans-83.722.7-179.3-88.1-31.8000115.2D369D369-N371 VanDerWaalsContact C-N 3.31Å; D369-N371 PolarHBondContact O-N 3.15Å
372K34.9Very low55.5Low145 Ų14591.9 Ų91.963%0.6346%0.461SS*.  trans-143.579.9166.8-71.4-172.5-179.4176.50110.6D370 D374 D375D370-K372 PolarHBondContact O-N 3.43Å; D370-K372 VanDerWaalsContact O-N 3.16Å; K372-D374 PolarHBondContact O-N 3.04Å; K372-D374 VanDerWaalsContact O-N 3.1Å; K372-D375 HydrophobicContact CB-CB 4.17Å; K372-D375 PolarHBondContact O-N 3.49Å
373D48.4Very low58.1Low102 Ų10293.1 Ų93.155%0.54546%0.462SS..THydrogen-bonded Turntrans-59-19.4-177.9-94-38000115.2K323 D375K323-D373 IonicContact NZ-OD1 3.54Å; K323-D373 PolarHBondContact NZ-OD1 2.87Å; K323-D373 IonicContact NZ-OD2 2.78Å; K323-D373 PolarHBondContact NZ-OD2 3.42Å; D373-D375 VanDerWaalsContact C-N 3.28Å
374D49Very low60.7Low151 Ų15191.8 Ų91.881%0.80745%0.454SS*.THydrogen-bonded Turntrans-77.2-13.5171.8-90.7-23.5000113K372 H382K372-D374 PolarHBondContact O-N 3.04Å; K372-D374 VanDerWaalsContact O-N 3.1Å; D374-H382 PolarHBondContact O-CE1 3.45Å
375D61.5Low63.4Low99 Ų9990.9 Ų90.953%0.52945%0.448SS..THydrogen-bonded Turntrans-108-6.3-174.8-84.8-32.5000114.7K372 D373 K377K372-D375 HydrophobicContact CB-CB 4.17Å; K372-D375 PolarHBondContact O-N 3.49Å; D373-D375 VanDerWaalsContact C-N 3.28Å; D375-K377 VanDerWaalsContact C-N 3.31Å; D375-K377 PolarHBondContact O-N 3.36Å
376D82.8Confident66.3Low60 Ų6091.8 Ų91.832%0.32145%0.452SS..  trans-70.692.6170-177.912.9000109.6D378 S379 H382D376-D378 PolarHBondContact O-N 2.84Å; D376-D378 WeakPolarHBondContact OD1-CB 3.45Å; D376-D378 PolarHBondContact OD1-N 3.18Å; D376-S379 PolarHBondContact OD1-N 3.08Å; D376-S379 WeakPolarHBondContact OD2-CB 3.5Å; D376-S379 PolarHBondContact OD2-N 2.75Å; D376-H382 WeakPolarHBondContact O-CB 3.44Å; D376-H382 PolarHBondContact O-ND1 2.82Å
377K87.8Confident69.1Low138 Ų13885.9 Ų85.960%0.642%0.42SS*.SBendtrans-72.1-14.6179.5-69172.8-173171.50112.5D375D375-K377 VanDerWaalsContact C-N 3.31Å; D375-K377 PolarHBondContact O-N 3.36Å
378D87.8Confident72Confident87 Ų8782.1 Ų82.147%0.46540%0.404SS..SBendtrans-90.4-20.3-179-67.9-33.2000112.2D376 I380D376-D378 PolarHBondContact O-N 2.84Å; D376-D378 WeakPolarHBondContact OD1-CB 3.45Å; D376-D378 PolarHBondContact OD1-N 3.18Å; D378-I380 PolarHBondContact O-N 2.87Å
379S94.1Very high75.2Confident15 Ų1579.5 Ų79.511%0.10539%0.39CS..SBendtrans-56.1134.5172.1176.70000112.1E144 D376 F381 H382 K453E144-S379 WeakPolarHBondContact OE1-CA 3.37Å; E144-S379 PolarHBondContact OE2-OG 2.71Å; D376-S379 PolarHBondContact OD1-N 3.08Å; D376-S379 WeakPolarHBondContact OD2-CB 3.5Å; D376-S379 PolarHBondContact OD2-N 2.75Å; S379-F381 PolarHBondContact O-N 3.25Å; S379-F381 VanDerWaalsContact O-N 3.15Å; S379-F381 PolarHBondContact OG-N 2.8Å; S379-F381 VanDerWaalsContact OG-N 3.08Å; S379-H382 VanDerWaalsContact O-CB 3.28Å; S379-H382 WeakPolarHBondContact O-CB 3.22Å; S379-H382 PolarHBondContact O-N 3.04Å; S379-K453 WeakPolarHBondContact O-CD 3.38Å
380I96.2Very high78.3Confident0 Ų076.6 Ų76.60%037%0.37CS..THydrogen-bonded Turntrans-52-36.6169.9-66.2179.8000110.4C80 E144 R145 D378 H382 W384 Y406 K453C80-I380 HydrophobicContact CB-CD1 3.86Å; E144-I380 HydrophobicContact CG-CB 3.99Å; E144-I380 HydrophobicContact CG-CD1 4.16Å; E144-I380 HydrophobicContact CG-CG1 4.23Å; E144-I380 WeakPolarHBondContact OE1-CB 3.21Å; E144-I380 WeakPolarHBondContact OE1-CG1 3.46Å; E144-I380 PolarHBondContact OE1-N 3.1Å; R145-I380 VanDerWaalsContact CZ-CD1 3.42Å; D378-I380 PolarHBondContact O-N 2.87Å; I380-H382 VanDerWaalsContact C-N 3.3Å; I380-H382 PolarHBondContact O-N 3.34Å; I380-W384 HydrophobicContact CG2-CH2 3.24Å; I380-W384 HydrophobicContact CG2-CZ2 3.39Å; I380-W384 HydrophobicContact CG2-CZ3 3.88Å; I380-W384 PolarHBondContact O-NE1 3.42Å; I380-Y406 HydrophobicContact CD1-CD1 4.42Å; I380-Y406 HydrophobicContact CD1-CD2 4.35Å; I380-Y406 HydrophobicContact CD1-CG 3.98Å; I380-Y406 HydrophobicContact CG1-CD1 3.85Å; I380-Y406 HydrophobicContact CG1-CE1 4.42Å; I380-Y406 HydrophobicContact CG1-CG 3.93Å; I380-Y406 HydrophobicContact CG2-CD1 4.48Å; I380-Y406 HydrophobicContact CG2-CE1 4.29Å; I380-Y406 HydrophobicContact CG2-CE2 4.45Å; I380-K453 PolarHBondContact O-NZ 3.4Å
381F95.6Very high81.1Confident26 Ų2672.6 Ų72.611%0.11435%0.347CS..THydrogen-bonded Turntrans-80.7-7.9-175.1-56.1-31.4000113.9E144 S379 R383 W384 I389 F392 K393E144-F381 HydrophobicContact CB-CD2 4.39Å; E144-F381 HydrophobicContact CB-CE2 3.63Å; E144-F381 HydrophobicContact CB-CZ 3.84Å; E144-F381 HydrophobicContact CG-CD2 4.23Å; E144-F381 HydrophobicContact CG-CE1 4.27Å; E144-F381 HydrophobicContact CG-CE2 3.8Å; E144-F381 HydrophobicContact CG-CZ 3.81Å; S379-F381 PolarHBondContact O-N 3.25Å; S379-F381 VanDerWaalsContact O-N 3.15Å; S379-F381 PolarHBondContact OG-N 2.8Å; S379-F381 VanDerWaalsContact OG-N 3.08Å; F381-R383 PolarHBondContact O-N 2.77Å; F381-R383 VanDerWaalsContact O-N 3.08Å; F381-W384 AromaticContact CD1-CE3 3.79Å; F381-W384 HydrophobicContact CD1-CE3 3.79Å; F381-W384 AromaticContact CD1-CZ3 3.87Å; F381-W384 HydrophobicContact CD1-CZ3 3.87Å; F381-W384 HydrophobicContact CE1-CE3 4.4Å; F381-W384 HydrophobicContact CE1-CZ3 4.06Å; F381-W384 WeakPolarHBondContact O-CB 3.43Å; F381-W384 PolarHBondContact O-N 2.63Å; F381-I389 HydrophobicContact CB-CD1 3.96Å; F381-I389 HydrophobicContact CB-CG1 3.99Å; F381-I389 HydrophobicContact CB-CG2 4.49Å; F381-I389 HydrophobicContact CD1-CG1 4.16Å; F381-I389 HydrophobicContact CD1-CG2 4.19Å; F381-I389 HydrophobicContact CD2-CG2 4.1Å; F381-I389 HydrophobicContact CE1-CG2 4.48Å; F381-I389 HydrophobicContact CE2-CG2 4.38Å; F381-I389 HydrophobicContact CG-CG1 4.16Å; F381-I389 HydrophobicContact CG-CG2 4Å; F381-F392 HydrophobicContact CE1-CB 4.11Å; F381-F392 AromaticContact CE1-CD1 3.56Å; F381-F392 HydrophobicContact CE1-CD1 3.56Å; F381-F392 HydrophobicContact CE1-CD2 4.26Å; F381-F392 AromaticContact CE1-CE1 3.95Å; F381-F392 HydrophobicContact CE1-CE1 3.95Å; F381-F392 AromaticContact CE1-CG 3.73Å; F381-F392 HydrophobicContact CE1-CG 3.73Å; F381-F392 HydrophobicContact CE1-CZ 4.43Å; F381-F392 AromaticContact CZ-CD1 3.46Å; F381-F392 HydrophobicContact CZ-CD1 3.46Å; F381-F392 VanDerWaalsContact CZ-CD1 3.46Å; F381-F392 AromaticContact CZ-CE1 3.72Å; F381-F392 HydrophobicContact CZ-CE1 3.72Å; F381-F392 HydrophobicContact CZ-CG 4.12Å; F381-K393 HydrophobicContact CZ-CG 4.34Å
382H94.8Very high84.3Confident27 Ų2764.8 Ų64.813%0.12531%0.305CS..THydrogen-bonded Turntrans-54.2118.3-179-172.769000111.1D374 D376 S379 I380 W384 K453D374-H382 PolarHBondContact O-CE1 3.45Å; D376-H382 WeakPolarHBondContact O-CB 3.44Å; D376-H382 PolarHBondContact O-ND1 2.82Å; S379-H382 VanDerWaalsContact O-CB 3.28Å; S379-H382 WeakPolarHBondContact O-CB 3.22Å; S379-H382 PolarHBondContact O-N 3.04Å; I380-H382 VanDerWaalsContact C-N 3.3Å; I380-H382 PolarHBondContact O-N 3.34Å; H382-W384 PolarHBondContact O-N 2.98Å; H382-K453 PolarHBondContact O-NZ 2.98Å
383R93.6Very high87.2Confident151 Ų15159.4 Ų59.457%0.5728%0.282SS*.THydrogen-bonded Turntrans61.77.9-176.2-56.9-173.5179.4-173.5-8117.4F381 L448 T450F381-R383 PolarHBondContact O-N 2.77Å; F381-R383 VanDerWaalsContact O-N 3.08Å; R383-L448 HydrophobicContact CB-CB 4.45Å; R383-L448 HydrophobicContact CB-CD1 4.39Å; R383-L448 HydrophobicContact CB-CD2 4.47Å; R383-L448 PolarHBondContact NH1-O 2.96Å; R383-L448 WeakPolarHBondContact O-CD1 3.4Å; R383-T450 HydrophobicContact CB-CG2 4.12Å; R383-T450 HydrophobicContact CG-CG2 4.08Å
384W93.7Very high89.5Confident12 Ų1257.8 Ų57.85%0.04527%0.271CS..  trans-65.5148.8175.2-83.112.5000112I380 F381 H382 K386 L388 I389 F392 M402 Y406 E445 K453I380-W384 HydrophobicContact CG2-CH2 3.24Å; I380-W384 HydrophobicContact CG2-CZ2 3.39Å; I380-W384 HydrophobicContact CG2-CZ3 3.88Å; I380-W384 PolarHBondContact O-NE1 3.42Å; F381-W384 AromaticContact CD1-CE3 3.79Å; F381-W384 HydrophobicContact CD1-CE3 3.79Å; F381-W384 AromaticContact CD1-CZ3 3.87Å; F381-W384 HydrophobicContact CD1-CZ3 3.87Å; F381-W384 HydrophobicContact CE1-CE3 4.4Å; F381-W384 HydrophobicContact CE1-CZ3 4.06Å; F381-W384 WeakPolarHBondContact O-CB 3.43Å; F381-W384 PolarHBondContact O-N 2.63Å; H382-W384 PolarHBondContact O-N 2.98Å; W384-K386 PolarHBondContact O-N 2.98Å; W384-L388 HydrophobicContact CB-CD2 4.41Å; W384-L388 HydrophobicContact CD2-CD2 3.65Å; W384-L388 HydrophobicContact CD2-CG 4.29Å; W384-L388 HydrophobicContact CE3-CB 4.38Å; W384-L388 HydrophobicContact CE3-CD2 3.68Å; W384-L388 HydrophobicContact CE3-CG 3.81Å; W384-L388 HydrophobicContact CG-CD2 4Å; W384-L388 HydrophobicContact CZ3-CD2 4.19Å; W384-L388 HydrophobicContact CZ3-CG 4.16Å; W384-I389 HydrophobicContact CB-CD1 4.09Å; W384-I389 HydrophobicContact CB-CG1 3.74Å; W384-I389 HydrophobicContact CE3-CG1 4.23Å; W384-F392 HydrophobicContact CH2-CD2 4.39Å; W384-F392 HydrophobicContact CZ3-CB 4.4Å; W384-F392 HydrophobicContact CZ3-CD2 4.18Å; W384-M402 HydrophobicContact CH2-CE 3.32Å; W384-M402 HydrophobicContact CH2-SD 4.25Å; W384-M402 HydrophobicContact CZ2-CE 3.67Å; W384-M402 HydrophobicContact CZ3-CE 4.47Å; W384-Y406 HydrophobicContact CZ2-CE2 4.33Å; W384-Y406 AromaticContact CZ2-CZ 3.93Å; W384-Y406 WeakPolarHBondContact CZ2-OH 3.35Å; W384-E445 PolarHBondContact NE1-OE1 2.6Å; W384-K453 VanDerWaalsContact CD1-NZ 3.31Å; W384-K453 VanDerWaalsContact NE1-NZ 3.19Å
385P92Very high91.8Very high10 Ų1051.4 Ų51.47%0.06524%0.236CC..  trans-55.3138168.8-2433.8000111.3E387 L388 I389 V629 F633P385-E387 VanDerWaalsContact C-N 3.26Å; P385-E387 PolarHBondContact O-N 3.29Å; P385-L388 HydrophobicContact CB-CB 4.3Å; P385-L388 WeakPolarHBondContact O-CA 3.39Å; P385-L388 VanDerWaalsContact O-CB 3.3Å; P385-L388 WeakPolarHBondContact O-CB 3.42Å; P385-L388 PolarHBondContact O-N 3.49Å; P385-I389 PolarHBondContact O-N 2.91Å; P385-V629 HydrophobicContact CB-CG1 4.3Å; P385-F633 HydrophobicContact CG-CD2 3.8Å; P385-F633 HydrophobicContact CG-CE2 3.89Å; P385-F633 HydrophobicContact CG-CG 4.21Å; P385-F633 HydrophobicContact CG-CZ 4.37Å
386K91Very high93.5Very high165 Ų16550.1 Ų50.172%0.71723%0.227SC*.Hα-helixtrans-54.7-39.8-176.7-69.9180179.2173.50113.1W384 L388 I389 K390W384-K386 PolarHBondContact O-N 2.98Å; K386-L388 VanDerWaalsContact C-N 3.32Å; K386-L388 PolarHBondContact O-N 3.45Å; K386-I389 PolarHBondContact O-N 3.4Å; K386-K390 PolarHBondContact O-N 2.9Å
387E90.8Very high94.2Very high23 Ų2347.3 Ų47.311%0.10721%0.212CC..Hα-helixtrans-65.2-36.2176.2-176.971.6-174.100111.9P385 I389 K390 R391 V629 T643P385-E387 VanDerWaalsContact C-N 3.26Å; P385-E387 PolarHBondContact O-N 3.29Å; E387-I389 VanDerWaalsContact C-N 3.34Å; E387-I389 PolarHBondContact O-N 2.85Å; E387-K390 WeakPolarHBondContact O-CB 3.19Å; E387-K390 PolarHBondContact O-N 3.4Å; E387-K390 WeakPolarHBondContact OE2-CD 3.27Å; E387-K390 IonicContact OE2-NZ 3.95Å; E387-R391 HydrophobicContact CG-CG 4.25Å; E387-R391 WeakPolarHBondContact O-CB 3.46Å; E387-R391 WeakPolarHBondContact O-CG 3.32Å; E387-R391 PolarHBondContact O-N 3.28Å; E387-R391 IonicContact OE1-NE 2.81Å; E387-R391 PolarHBondContact OE1-NE 3.2Å; E387-R391 IonicContact OE1-NH2 2.68Å; E387-V629 HydrophobicContact CB-CG1 4.42Å; E387-V629 HydrophobicContact CB-CG2 4.38Å; E387-V629 HydrophobicContact CG-CG2 3.8Å; E387-T643 VanDerWaalsContact CG-OG1 3.22Å; E387-T643 WeakPolarHBondContact CG-OG1 3.43Å
388L94Very high94.6Very high1 Ų141.2 Ų41.21%0.00519%0.186CC..Hα-helixtrans-64.1-43.6178.5-16967.5000110.9W384 P385 K386 K390 R391 F392 L397 L444 L626 V629W384-L388 HydrophobicContact CB-CD2 4.41Å; W384-L388 HydrophobicContact CD2-CD2 3.65Å; W384-L388 HydrophobicContact CD2-CG 4.29Å; W384-L388 HydrophobicContact CE3-CB 4.38Å; W384-L388 HydrophobicContact CE3-CD2 3.68Å; W384-L388 HydrophobicContact CE3-CG 3.81Å; W384-L388 HydrophobicContact CG-CD2 4Å; W384-L388 HydrophobicContact CZ3-CD2 4.19Å; W384-L388 HydrophobicContact CZ3-CG 4.16Å; P385-L388 HydrophobicContact CB-CB 4.3Å; P385-L388 WeakPolarHBondContact O-CA 3.39Å; P385-L388 VanDerWaalsContact O-CB 3.3Å; P385-L388 WeakPolarHBondContact O-CB 3.42Å; P385-L388 PolarHBondContact O-N 3.49Å; K386-L388 VanDerWaalsContact C-N 3.32Å; K386-L388 PolarHBondContact O-N 3.45Å; L388-K390 VanDerWaalsContact C-N 3.34Å; L388-K390 PolarHBondContact O-N 2.86Å; L388-R391 PolarHBondContact O-N 3.43Å; L388-F392 PolarHBondContact O-N 2.89Å; L388-L397 HydrophobicContact CD1-CD1 3.64Å; L388-L397 HydrophobicContact CG-CD1 4.24Å; L388-L444 HydrophobicContact CD2-CD2 3.48Å; L388-L444 VanDerWaalsContact CD2-CD2 3.48Å; L388-L626 HydrophobicContact CD1-CD1 3.6Å; L388-V629 HydrophobicContact CB-CG1 4.16Å; L388-V629 HydrophobicContact CD1-CB 4.44Å
389I95.2Very high95.1Very high35 Ų3537.1 Ų37.118%0.17916%0.164CC..Hα-helixtrans-59.4-46.9174.4-59.7170000109.9F381 W384 P385 K386 E387 R391 F392 K393F381-I389 HydrophobicContact CB-CD1 3.96Å; F381-I389 HydrophobicContact CB-CG1 3.99Å; F381-I389 HydrophobicContact CB-CG2 4.49Å; F381-I389 HydrophobicContact CD1-CG1 4.16Å; F381-I389 HydrophobicContact CD1-CG2 4.19Å; F381-I389 HydrophobicContact CD2-CG2 4.1Å; F381-I389 HydrophobicContact CE1-CG2 4.48Å; F381-I389 HydrophobicContact CE2-CG2 4.38Å; F381-I389 HydrophobicContact CG-CG1 4.16Å; F381-I389 HydrophobicContact CG-CG2 4Å; W384-I389 HydrophobicContact CB-CD1 4.09Å; W384-I389 HydrophobicContact CB-CG1 3.74Å; W384-I389 HydrophobicContact CE3-CG1 4.23Å; P385-I389 PolarHBondContact O-N 2.91Å; K386-I389 PolarHBondContact O-N 3.4Å; E387-I389 VanDerWaalsContact C-N 3.34Å; E387-I389 PolarHBondContact O-N 2.85Å; I389-R391 PolarHBondContact O-N 3.35Å; I389-F392 WeakPolarHBondContact O-CB 3.47Å; I389-F392 PolarHBondContact O-N 2.67Å; I389-K393 HydrophobicContact CG2-CD 4.03Å; I389-K393 HydrophobicContact CG2-CG 4.39Å; I389-K393 WeakPolarHBondContact O-CG 3.26Å; I389-K393 PolarHBondContact O-N 3.31Å
390K93.7Very high95.1Very high97 Ų9739.9 Ų39.942%0.42218%0.181SC..Hα-helixtrans-59.1-47.5176.7-178.6-173.2171.6-167.20111.8K386 E387 L388 F392 K393 F394K386-K390 PolarHBondContact O-N 2.9Å; E387-K390 WeakPolarHBondContact O-CB 3.19Å; E387-K390 PolarHBondContact O-N 3.4Å; E387-K390 WeakPolarHBondContact OE2-CD 3.27Å; E387-K390 IonicContact OE2-NZ 3.95Å; L388-K390 VanDerWaalsContact C-N 3.34Å; L388-K390 PolarHBondContact O-N 2.86Å; K390-F392 VanDerWaalsContact C-N 3.27Å; K390-F392 PolarHBondContact O-N 3.05Å; K390-K393 PolarHBondContact O-N 2.98Å; K390-F394 HydrophobicContact CG-CD2 3.68Å; K390-F394 HydrophobicContact CG-CE2 4Å; K390-F394 VanDerWaalsContact O-CD2 3.29Å; K390-F394 WeakPolarHBondContact O-CD2 3.5Å; K390-F394 PolarHBondContact O-N 3.44Å
391R95.2Very high95.1Very high16 Ų1641 Ų416%0.0619%0.187CC..Hα-helixtrans-64.2-31.1178.5-72.6-173.2-176.6-144.1-7.9112.8E387 L388 I389 L395 E396 L397 A625 E628E387-R391 HydrophobicContact CG-CG 4.25Å; E387-R391 WeakPolarHBondContact O-CB 3.46Å; E387-R391 WeakPolarHBondContact O-CG 3.32Å; E387-R391 PolarHBondContact O-N 3.28Å; E387-R391 IonicContact OE1-NE 2.81Å; E387-R391 PolarHBondContact OE1-NE 3.2Å; E387-R391 IonicContact OE1-NH2 2.68Å; L388-R391 PolarHBondContact O-N 3.43Å; I389-R391 PolarHBondContact O-N 3.35Å; R391-L395 PolarHBondContact O-N 3.25Å; R391-E396 HydrophobicContact CB-CB 4.08Å; R391-E396 HydrophobicContact CG-CB 4.3Å; R391-E396 PolarHBondContact O-N 3.39Å; R391-L397 HydrophobicContact CB-CD1 4.43Å; R391-L397 HydrophobicContact CB-CG 4.11Å; R391-L397 PolarHBondContact O-N 3.07Å; R391-A625 PolarHBondContact NH1-O 3.5Å; R391-E628 IonicContact CZ-OE2 3.84Å; R391-E628 VanDerWaalsContact NH1-CB 3.29Å; R391-E628 IonicContact NH1-OE2 3.48Å; R391-E628 PolarHBondContact NH1-OE2 3.01Å; R391-E628 IonicContact NH2-OE2 3.96Å; R391-E628 PolarHBondContact NH2-OE2 3.44Å
392F97.8Very high95.1Very high0 Ų039.9 Ų39.90%018%0.182CC..Hα-helixtrans-66-54.9169.1-172.9-78.4000111.3F381 W384 L388 I389 K390 F394 L395 L397 P399 M402F381-F392 HydrophobicContact CE1-CB 4.11Å; F381-F392 AromaticContact CE1-CD1 3.56Å; F381-F392 HydrophobicContact CE1-CD1 3.56Å; F381-F392 HydrophobicContact CE1-CD2 4.26Å; F381-F392 AromaticContact CE1-CE1 3.95Å; F381-F392 HydrophobicContact CE1-CE1 3.95Å; F381-F392 AromaticContact CE1-CG 3.73Å; F381-F392 HydrophobicContact CE1-CG 3.73Å; F381-F392 HydrophobicContact CE1-CZ 4.43Å; F381-F392 AromaticContact CZ-CD1 3.46Å; F381-F392 HydrophobicContact CZ-CD1 3.46Å; F381-F392 VanDerWaalsContact CZ-CD1 3.46Å; F381-F392 AromaticContact CZ-CE1 3.72Å; F381-F392 HydrophobicContact CZ-CE1 3.72Å; F381-F392 HydrophobicContact CZ-CG 4.12Å; W384-F392 HydrophobicContact CH2-CD2 4.39Å; W384-F392 HydrophobicContact CZ3-CB 4.4Å; W384-F392 HydrophobicContact CZ3-CD2 4.18Å; L388-F392 PolarHBondContact O-N 2.89Å; I389-F392 WeakPolarHBondContact O-CB 3.47Å; I389-F392 PolarHBondContact O-N 2.67Å; K390-F392 VanDerWaalsContact C-N 3.27Å; K390-F392 PolarHBondContact O-N 3.05Å; F392-F394 VanDerWaalsContact C-N 3.26Å; F392-F394 PolarHBondContact O-N 3.02Å; F392-L395 PolarHBondContact O-N 3.45Å; F392-L397 HydrophobicContact CB-CD1 4.19Å; F392-P399 HydrophobicContact CD2-CG 4.38Å; F392-P399 HydrophobicContact CE1-CG 4Å; F392-P399 HydrophobicContact CE2-CB 3.95Å; F392-P399 HydrophobicContact CE2-CG 3.76Å; F392-P399 HydrophobicContact CZ-CB 3.77Å; F392-P399 HydrophobicContact CZ-CG 3.56Å; F392-M402 HydrophobicContact CD2-SD 4.07Å; F392-M402 HydrophobicContact CE2-SD 4.09Å
393K96.7Very high95.2Very high32 Ų3238.9 Ų38.914%0.13918%0.177CC..Hα-helixtrans-61.3-32.1-176.9-73.2-175.8174.8-171.80113.3I141 A142 E327 F381 I389 K390I141-K393 HydrophobicContact CD1-CD 4.37Å; I141-K393 HydrophobicContact CG1-CB 4.11Å; A142-K393 WeakPolarHBondContact CB-O 3.32Å; A142-K393 PolarHBondContact N-O 3.19Å; E327-K393 IonicContact OE1-NZ 3.65Å; E327-K393 PolarHBondContact OE1-NZ 3.37Å; E327-K393 WeakPolarHBondContact OE2-CE 3.48Å; E327-K393 IonicContact OE2-NZ 2.8Å; E327-K393 PolarHBondContact OE2-NZ 3.32Å; F381-K393 HydrophobicContact CZ-CG 4.34Å; I389-K393 HydrophobicContact CG2-CD 4.03Å; I389-K393 HydrophobicContact CG2-CG 4.39Å; I389-K393 WeakPolarHBondContact O-CG 3.26Å; I389-K393 PolarHBondContact O-N 3.31Å; K390-K393 PolarHBondContact O-N 2.98Å
394F96.2Very high95.3Very high69 Ų6931.9 Ų31.930%0.30315%0.152SC..THydrogen-bonded Turntrans-98.116.9175.4-67.5-74.8000113.7Y140 K390 F392 E396Y140-F394 HydrophobicContact CE2-CD1 4.23Å; K390-F394 HydrophobicContact CG-CD2 3.68Å; K390-F394 HydrophobicContact CG-CE2 4Å; K390-F394 VanDerWaalsContact O-CD2 3.29Å; K390-F394 WeakPolarHBondContact O-CD2 3.5Å; K390-F394 PolarHBondContact O-N 3.44Å; F392-F394 VanDerWaalsContact C-N 3.26Å; F392-F394 PolarHBondContact O-N 3.02Å; F394-E396 PolarHBondContact O-N 3.14Å; F394-E396 VanDerWaalsContact O-N 3.12Å
395L97.7Very high95.5Very high17 Ų1731.3 Ų31.39%0.08915%0.149CC..THydrogen-bonded Turntrans56.231.1169.4-61.7178.5000115.3F77 V130 A142 R391 F392 L397 P399F77-L395 HydrophobicContact CB-CD1 3.75Å; F77-L395 HydrophobicContact CD1-CD1 3.8Å; F77-L395 HydrophobicContact CD2-CD1 3.76Å; F77-L395 HydrophobicContact CE1-CD1 4.29Å; F77-L395 HydrophobicContact CE2-CD1 4.26Å; F77-L395 HydrophobicContact CG-CD1 3.5Å; F77-L395 VanDerWaalsContact CG-CD1 3.5Å; F77-L395 HydrophobicContact CZ-CD1 4.49Å; V130-L395 HydrophobicContact CG1-CB 4.21Å; V130-L395 HydrophobicContact CG2-CB 4.07Å; V130-L395 HydrophobicContact CG2-CD1 3.48Å; V130-L395 VanDerWaalsContact CG2-CD1 3.48Å; V130-L395 HydrophobicContact CG2-CG 4.43Å; A142-L395 HydrophobicContact CB-CD1 4.22Å; A142-L395 HydrophobicContact CB-CD2 3.51Å; A142-L395 HydrophobicContact CB-CG 3.78Å; R391-L395 PolarHBondContact O-N 3.25Å; F392-L395 PolarHBondContact O-N 3.45Å; L395-L397 VanDerWaalsContact C-N 3.28Å; L395-L397 CarbonylContact C-O 3.56Å; L395-L397 WeakPolarHBondContact CA-O 3.47Å; L395-P399 HydrophobicContact CD2-CG 3.99Å
396E96Very high95.7Very high72 Ų7230.9 Ų30.934%0.33615%0.146SC..SBendtrans-76.1-26161.7-58.9-168.3-172.200110.4K134 R391 F394 A625K134-E396 IonicContact NZ-OE1 2.64Å; K134-E396 PolarHBondContact NZ-OE1 3.45Å; R391-E396 HydrophobicContact CB-CB 4.08Å; R391-E396 HydrophobicContact CG-CB 4.3Å; R391-E396 PolarHBondContact O-N 3.39Å; F394-E396 PolarHBondContact O-N 3.14Å; F394-E396 VanDerWaalsContact O-N 3.12Å; E396-A625 HydrophobicContact CB-CB 4.24Å; E396-A625 WeakPolarHBondContact O-CB 3.33Å
397L97.8Very high96Very high1 Ų123.2 Ų23.21%0.00511%0.114CC..SBendtrans-94.9153.5162.8-53.4178.9000110.9L388 R391 F392 L395 P399 H622 A625 L626L388-L397 HydrophobicContact CD1-CD1 3.64Å; L388-L397 HydrophobicContact CG-CD1 4.24Å; R391-L397 HydrophobicContact CB-CD1 4.43Å; R391-L397 HydrophobicContact CB-CG 4.11Å; R391-L397 PolarHBondContact O-N 3.07Å; F392-L397 HydrophobicContact CB-CD1 4.19Å; L395-L397 VanDerWaalsContact C-N 3.28Å; L395-L397 CarbonylContact C-O 3.56Å; L395-L397 WeakPolarHBondContact CA-O 3.47Å; L397-P399 WeakPolarHBondContact O-CD 3.42Å; L397-H622 WeakPolarHBondContact CA-ND1 3.46Å; L397-A625 HydrophobicContact CD2-CB 3.89Å; L397-L626 HydrophobicContact CD2-CB 4.13Å
398V97Very high96.2Very high10 Ų1027.9 Ų27.96%0.06113%0.13CC..  trans-107.399.2-179.5-178.90000108.7T400 L401 H622V398-T400 VanDerWaalsContact C-N 3.27Å; V398-T400 PolarHBondContact O-N 3.34Å; V398-T400 VanDerWaalsContact O-N 3.14Å; V398-L401 HydrophobicContact CB-CD1 3.96Å; V398-L401 HydrophobicContact CB-CG 4.04Å; V398-L401 HydrophobicContact CG1-CD1 4.3Å; V398-L401 HydrophobicContact CG1-CG 3.97Å; V398-L401 HydrophobicContact CG2-CD1 4.5Å; V398-L401 WeakPolarHBondContact O-CB 3.42Å; V398-L401 PolarHBondContact O-N 3.35Å; V398-H622 HydrophobicContact CB-CB 4.48Å; V398-H622 HydrophobicContact CG2-CB 4.12Å; V398-H622 PolarHBondContact N-ND1 2.92Å; V398-H622 VanDerWaalsContact N-ND1 3.12Å
399P97.4Very high96.3Very high0 Ų032.5 Ų32.50%016%0.155CC..G310 helixtrans-47.6-41.9-178.1-33.531.3000115.4G79 C80 F392 L395 L397 L401 M402 D403G79-P399 WeakPolarHBondContact O-CB 3.46Å; C80-P399 PolarHBondContact SG-O 3.07Å; F392-P399 HydrophobicContact CD2-CG 4.38Å; F392-P399 HydrophobicContact CE1-CG 4Å; F392-P399 HydrophobicContact CE2-CB 3.95Å; F392-P399 HydrophobicContact CE2-CG 3.76Å; F392-P399 HydrophobicContact CZ-CB 3.77Å; F392-P399 HydrophobicContact CZ-CG 3.56Å; L395-P399 HydrophobicContact CD2-CG 3.99Å; L397-P399 WeakPolarHBondContact O-CD 3.42Å; P399-L401 PolarHBondContact O-N 3.34Å; P399-L401 VanDerWaalsContact O-N 3.11Å; P399-M402 WeakPolarHBondContact O-CA 3.42Å; P399-M402 WeakPolarHBondContact O-CB 3.18Å; P399-M402 PolarHBondContact O-N 3.22Å; P399-D403 PolarHBondContact O-N 2.81Å
400T94.1Very high96.2Very high74 Ų7431 Ų3145%0.45415%0.148SC..G310 helixtrans-64.6-18.8-179.659.70000114.3V398 D403V398-T400 VanDerWaalsContact C-N 3.27Å; V398-T400 PolarHBondContact O-N 3.34Å; V398-T400 VanDerWaalsContact O-N 3.14Å; T400-D403 WeakPolarHBondContact CA-OD2 3.47Å
401L95.9Very high96.3Very high24 Ų2427.1 Ų27.113%0.12613%0.132CC..G310 helixtrans-77-15.6171.5-65.6-179000112.2V398 P399 L437 H622V398-L401 HydrophobicContact CB-CD1 3.96Å; V398-L401 HydrophobicContact CB-CG 4.04Å; V398-L401 HydrophobicContact CG1-CD1 4.3Å; V398-L401 HydrophobicContact CG1-CG 3.97Å; V398-L401 HydrophobicContact CG2-CD1 4.5Å; V398-L401 WeakPolarHBondContact O-CB 3.42Å; V398-L401 PolarHBondContact O-N 3.35Å; P399-L401 PolarHBondContact O-N 3.34Å; P399-L401 VanDerWaalsContact O-N 3.11Å; L401-L437 HydrophobicContact CD1-CD1 4.25Å; L401-H622 HydrophobicContact CD1-CB 4.02Å
402M97.1Very high96.3Very high2 Ų227.4 Ų27.41%0.0114%0.135CC..THydrogen-bonded Turntrans-99.1-14.5-179.3-52.9-175.26600112.4W384 F392 P399 C404 M405 Y406 I441W384-M402 HydrophobicContact CH2-CE 3.32Å; W384-M402 HydrophobicContact CH2-SD 4.25Å; W384-M402 HydrophobicContact CZ2-CE 3.67Å; W384-M402 HydrophobicContact CZ3-CE 4.47Å; F392-M402 HydrophobicContact CD2-SD 4.07Å; F392-M402 HydrophobicContact CE2-SD 4.09Å; P399-M402 WeakPolarHBondContact O-CA 3.42Å; P399-M402 WeakPolarHBondContact O-CB 3.18Å; P399-M402 PolarHBondContact O-N 3.22Å; M402-C404 PolarHBondContact O-N 3.28Å; M402-C404 VanDerWaalsContact O-N 3.15Å; M402-M405 WeakPolarHBondContact O-CB 3.22Å; M402-M405 PolarHBondContact O-N 3.38Å; M402-Y406 HydrophobicContact CB-CD2 3.95Å; M402-Y406 HydrophobicContact CB-CE2 4.16Å; M402-Y406 HydrophobicContact CE-CD2 4.35Å; M402-Y406 HydrophobicContact CE-CE2 3.57Å; M402-Y406 WeakPolarHBondContact O-CD2 3.42Å; M402-Y406 PolarHBondContact O-N 3.49Å; M402-I441 HydrophobicContact CE-CD1 3.43Å; M402-I441 VanDerWaalsContact CE-CD1 3.43Å; M402-I441 HydrophobicContact CE-CG1 4.08Å
403D96.9Very high96.1Very high6 Ų629.1 Ų29.13%0.03214%0.144CC..Hα-helixtrans-51.5-41.3-178.6-76.6-29.1000113C80 H81 P399 T400 M405 Y406 V407 V411C80-D403 VanDerWaalsContact CA-OD1 3.24Å; C80-D403 WeakPolarHBondContact CA-OD1 3.41Å; C80-D403 VanDerWaalsContact CB-OD1 3.3Å; C80-D403 WeakPolarHBondContact CB-OD1 3.26Å; H81-D403 IonicContact CE1-OD2 2.85Å; H81-D403 PolarHBondContact CE1-OD2 3.29Å; H81-D403 VanDerWaalsContact CE1-OD2 3.31Å; H81-D403 IonicContact CG-OD2 3.3Å; H81-D403 PolarHBondContact N-OD1 3.31Å; H81-D403 IonicContact ND1-OD1 2.79Å; H81-D403 IonicContact ND1-OD2 2.83Å; H81-D403 PolarHBondContact ND1-OD2 2.74Å; P399-D403 PolarHBondContact O-N 2.81Å; T400-D403 WeakPolarHBondContact CA-OD2 3.47Å; D403-M405 PolarHBondContact O-N 2.96Å; D403-Y406 PolarHBondContact O-N 3.49Å; D403-Y406 VanDerWaalsContact O-N 3.08Å; D403-V407 HydrophobicContact CB-CB 4.42Å; D403-V407 HydrophobicContact CB-CG2 3.96Å; D403-V407 WeakPolarHBondContact O-CB 3.19Å; D403-V407 PolarHBondContact O-N 2.95Å; D403-V411 HydrophobicContact CB-CG1 3.5Å
404C95.7Very high95.9Very high4 Ų432 Ų323%0.02715%0.154CC..Hα-helixtrans-59.8-21.1-178.565.70000113.8M402 V411 N438 G456 I462M402-C404 PolarHBondContact O-N 3.28Å; M402-C404 VanDerWaalsContact O-N 3.15Å; C404-V411 HydrophobicContact CB-CG1 4.13Å; C404-V411 HydrophobicContact CB-CG2 3.78Å; C404-N438 PolarHBondContact SG-ND2 2.82Å; C404-N438 PolarHBondContact SG-OD1 3.41Å; C404-N438 VanDerWaalsContact SG-OD1 3.35Å; C404-G456 CarbonylContact O-C 3.59Å; C404-I462 HydrophobicContact CB-CB 4.39Å; C404-I462 HydrophobicContact CB-CD1 3.8Å; C404-I462 VanDerWaalsContact O-CG2 3.29Å; C404-I462 WeakPolarHBondContact O-CG2 3.43Å
405M97.4Very high95.8Very high0 Ų029.1 Ų29.10%014%0.142CC..Hα-helixtrans-93-37.1177.3-56-61.2-72.500111.8M402 D403 N438 I441 L442 L454 C455 G456 M457 I462 V480M402-M405 WeakPolarHBondContact O-CB 3.22Å; M402-M405 PolarHBondContact O-N 3.38Å; D403-M405 PolarHBondContact O-N 2.96Å; M405-N438 HydrophobicContact SD-CB 3.88Å; M405-I441 HydrophobicContact CB-CG2 4.21Å; M405-I441 HydrophobicContact CE-CB 4.35Å; M405-I441 HydrophobicContact CE-CG2 4.05Å; M405-I441 HydrophobicContact CG-CB 4.46Å; M405-I441 HydrophobicContact CG-CG2 4.08Å; M405-L442 HydrophobicContact CE-CB 3.96Å; M405-L454 HydrophobicContact CB-CD2 3.99Å; M405-L454 HydrophobicContact CE-CD2 4.12Å; M405-L454 CarbonylContact O-C 3.58Å; M405-L454 VanDerWaalsContact O-CA 3.3Å; M405-L454 WeakPolarHBondContact O-CA 3.43Å; M405-C455 PolarHBondContact O-N 3.23Å; M405-G456 PolarHBondContact O-N 3.49Å; M405-M457 HydrophobicContact CE-CG 4.13Å; M405-M457 HydrophobicContact CE-SD 3.28Å; M405-M457 WeakPolarHBondContact CE-SD 3.47Å; M405-M457 HydrophobicContact SD-CG 4.27Å; M405-M457 HydrophobicContact SD-SD 4.09Å; M405-I462 HydrophobicContact SD-CG2 3.74Å; M405-V480 HydrophobicContact CE-CG1 4.37Å
406Y97.4Very high95.7Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-112.910.6-169-60.4-76.6000115.2R145 I380 W384 M402 D403 I441 E445 K453 L454 C455R145-Y406 PolarHBondContact NH1-O 3.35Å; R145-Y406 PolarHBondContact NH2-O 3.09Å; I380-Y406 HydrophobicContact CD1-CD1 4.42Å; I380-Y406 HydrophobicContact CD1-CD2 4.35Å; I380-Y406 HydrophobicContact CD1-CG 3.98Å; I380-Y406 HydrophobicContact CG1-CD1 3.85Å; I380-Y406 HydrophobicContact CG1-CE1 4.42Å; I380-Y406 HydrophobicContact CG1-CG 3.93Å; I380-Y406 HydrophobicContact CG2-CD1 4.48Å; I380-Y406 HydrophobicContact CG2-CE1 4.29Å; I380-Y406 HydrophobicContact CG2-CE2 4.45Å; W384-Y406 HydrophobicContact CZ2-CE2 4.33Å; W384-Y406 AromaticContact CZ2-CZ 3.93Å; W384-Y406 WeakPolarHBondContact CZ2-OH 3.35Å; M402-Y406 HydrophobicContact CB-CD2 3.95Å; M402-Y406 HydrophobicContact CB-CE2 4.16Å; M402-Y406 HydrophobicContact CE-CD2 4.35Å; M402-Y406 HydrophobicContact CE-CE2 3.57Å; M402-Y406 WeakPolarHBondContact O-CD2 3.42Å; M402-Y406 PolarHBondContact O-N 3.49Å; D403-Y406 PolarHBondContact O-N 3.49Å; D403-Y406 VanDerWaalsContact O-N 3.08Å; Y406-I441 HydrophobicContact CE2-CG2 3.8Å; Y406-I441 WeakPolarHBondContact OH-CG2 3.44Å; Y406-E445 PolarHBondContact OH-OE1 2.89Å; Y406-K453 HydrophobicContact CD1-CG 4.44Å; Y406-K453 HydrophobicContact CE1-CD 4.35Å; Y406-K453 HydrophobicContact CE1-CG 4.06Å; Y406-L454 HydrophobicContact CD1-CD2 4.25Å; Y406-L454 HydrophobicContact CE1-CD2 3.71Å; Y406-C455 PolarHBondContact O-SG 3.32Å
407V96.3Very high95.6Very high5 Ų525.2 Ų25.23%0.0312%0.123CC..SBendtrans-132.6123.6-178.9179.80000109.7H81 P82 D403 G456H81-V407 HydrophobicContact CB-CG1 4.3Å; H81-V407 HydrophobicContact CB-CG2 4Å; H81-V407 WeakPolarHBondContact O-CG2 3.28Å; P82-V407 WeakPolarHBondContact O-CG1 3.34Å; D403-V407 HydrophobicContact CB-CB 4.42Å; D403-V407 HydrophobicContact CB-CG2 3.96Å; D403-V407 WeakPolarHBondContact O-CB 3.19Å; D403-V407 PolarHBondContact O-N 2.95Å; V407-G456 WeakPolarHBondContact O-CA 3.33Å
408R95.9Very high95.4Very high121 Ų12125.3 Ų25.346%0.45712%0.124SC..THydrogen-bonded Turntrans-62.3159.7178.9-68.8179.8-170.7-77.72.3111.7Q83 G85 G410 C455Q83-R408 WeakPolarHBondContact O-CB 3.24Å; Q83-R408 VanDerWaalsContact O-CG 3.29Å; Q83-R408 WeakPolarHBondContact O-CG 3.43Å; Q83-R408 PolarHBondContact O-N 3.31Å; G85-R408 WeakPolarHBondContact CA-O 3.44Å; R408-G410 PolarHBondContact O-N 3.42Å; R408-C455 HydrophobicContact CG-CB 3.87Å; R408-C455 WeakPolarHBondContact CG-O 3.43Å
409N94.4Very high95.2Very high97 Ų9725.3 Ų25.352%0.51912%0.123SC..THydrogen-bonded Turntrans68.2-6.8175.7-52.8-43.2000116.2E84 L88 Y465E84-N409 PolarHBondContact O-ND2 2.92Å; L88-N409 HydrophobicContact CD2-CB 3.69Å; N409-Y465 WeakPolarHBondContact O-CE2 3.46Å; N409-Y465 PolarHBondContact O-OH 3.22Å
410G94.7Very high95Very high3 Ų325.6 Ų25.63%0.03113%0.125CC..  trans98.2-172.617400000114.2R408 T463R408-G410 PolarHBondContact O-N 3.42Å; G410-T463 CarbonylContact C-O 3.54Å; G410-T463 WeakPolarHBondContact CA-O 3.48Å
411V95.3Very high94.8Very high17 Ų1727.6 Ų27.610%0.10313%0.133CC..EExtended strand (participates in β ladder)trans-133159.1-171.7-60.20000112.7D403 C404 T463 E464 Y465D403-V411 HydrophobicContact CB-CG1 3.5Å; C404-V411 HydrophobicContact CB-CG1 4.13Å; C404-V411 HydrophobicContact CB-CG2 3.78Å; V411-T463 PolarHBondContact N-O 3.12Å; V411-E464 HydrophobicContact CG2-CG 3.96Å; V411-E464 CarbonylContact O-C 3.17Å; V411-E464 WeakPolarHBondContact O-CA 3.22Å; V411-Y465 PolarHBondContact O-N 2.9Å
412I94.8Very high94.5Very high21 Ų2128.3 Ų28.311%0.10814%0.136CC..EExtended strand (participates in β ladder)trans-127.7129.4166.5-176.7162.1000108.9L91 L92 N95 L473L91-I412 HydrophobicContact CB-CG2 3.59Å; L92-I412 HydrophobicContact CD2-CB 4.07Å; L92-I412 HydrophobicContact CD2-CD1 3.83Å; L92-I412 HydrophobicContact CD2-CG2 4.03Å; N95-I412 HydrophobicContact CB-CD1 3.66Å; N95-I412 HydrophobicContact CB-CG1 4.49Å; I412-L473 HydrophobicContact CD1-CD1 3.76Å; I412-L473 HydrophobicContact CD1-CD2 3.65Å; I412-L473 HydrophobicContact CD1-CG 4.34Å
413N93.6Very high93.8Very high37 Ų3731.8 Ų31.820%0.19816%0.159CC..PPolyproline II helixtrans-70.2136.8172.8-54.9-65.7000109.2N95 L415 D427 R434N95-N413 PolarHBondContact OD1-O 3.5Å; N413-L415 PolarHBondContact O-N 3.14Å; N413-D427 HydrophobicContact CB-CB 4.21Å; N413-D427 WeakPolarHBondContact CB-OD2 3.5Å; N413-R434 PolarHBondContact ND2-NH1 3.49Å; N413-R434 PolarHBondContact OD1-NH1 3.37Å
414R92.8Very high93.2Very high93 Ų9335.4 Ų35.435%0.35118%0.178SC..PPolyproline II helixtrans-63.9119-179.8-172.6-175.279.2-1735.9110.6Y98 T121 P122 R123 V416Y98-R414 HydrophobicContact CE2-CG 4.38Å; T121-R414 PolarHBondContact O-NH2 3.16Å; P122-R414 PolarHBondContact O-NH2 3.13Å; R123-R414 PolarHBondContact NH1-O 3.42Å; R414-V416 PolarHBondContact O-N 3.05Å
415L94.1Very high93Very high8 Ų836.7 Ų36.74%0.04219%0.187CC..PPolyproline II helixtrans-56.4129.2168.5-170.7148.1000109.7N95 F99 L102 I120 N413 I420N95-L415 VanDerWaalsContact OD1-CB 3.26Å; N95-L415 WeakPolarHBondContact OD1-CB 3.36Å; N95-L415 PolarHBondContact OD1-N 3.48Å; F99-L415 HydrophobicContact CB-CD1 4.04Å; F99-L415 HydrophobicContact CD2-CD1 4.45Å; L102-L415 HydrophobicContact CD2-CD2 4.07Å; I120-L415 HydrophobicContact CD1-CD2 4.25Å; N413-L415 PolarHBondContact O-N 3.14Å; L415-I420 HydrophobicContact CD1-CG2 4.45Å
416V94.6Very high92.8Very high3 Ų336.7 Ų36.72%0.01819%0.187CC..  trans-121.3-169.5172.4-63.20000108.8R123 R414 E418 L426 N611R123-V416 HydrophobicContact CB-CG1 4.3Å; R414-V416 PolarHBondContact O-N 3.05Å; V416-E418 PolarHBondContact O-N 3.41Å; V416-L426 HydrophobicContact CG2-CD2 3.26Å; V416-N611 HydrophobicContact CG2-CB 4.25Å
417M93.9Very high92.5Very high3 Ų337 Ų372%0.01519%0.189CC..SBendtrans-61.3102.9172.1-67.9-59.1-56.100110.4C46 E47 L102 L116 I118 I120 F602 I604 V607 N611C46-M417 WeakPolarHBondContact O-CG 3.48Å; E47-M417 HydrophobicContact CB-CE 4.22Å; L102-M417 HydrophobicContact CD1-CE 3.63Å; L102-M417 HydrophobicContact CD1-SD 4.02Å; L116-M417 HydrophobicContact CD1-CE 4.35Å; I118-M417 HydrophobicContact CB-SD 4.35Å; I118-M417 HydrophobicContact CD1-CE 3.81Å; I118-M417 HydrophobicContact CD1-SD 3.87Å; I118-M417 HydrophobicContact CG2-SD 3.86Å; I120-M417 HydrophobicContact CD1-SD 4.37Å; M417-F602 HydrophobicContact CE-CZ 4.44Å; M417-I604 HydrophobicContact CE-CD1 4.16Å; M417-V607 HydrophobicContact CB-CG1 3.83Å; M417-N611 PolarHBondContact O-ND2 3.22Å
418E94.1Very high92.3Very high4 Ų440 Ų402%0.01920%0.203CC..  trans-143.7158.5-177.870.9177.7172.500111.7L102 V416 I420 S425 L426 I604L102-E418 WeakPolarHBondContact CD2-O 3.23Å; V416-E418 PolarHBondContact O-N 3.41Å; E418-I420 HydrophobicContact CG-CG2 4.14Å; E418-I420 PolarHBondContact O-N 3.39Å; E418-I420 VanDerWaalsContact O-N 3.14Å; E418-S425 WeakPolarHBondContact OE2-CA 3.33Å; E418-L426 HydrophobicContact CB-CB 4.45Å; E418-L426 HydrophobicContact CB-CD2 3.67Å; E418-L426 WeakPolarHBondContact OE2-CG 3.23Å; E418-L426 PolarHBondContact OE2-N 3.42Å; E418-I604 VanDerWaalsContact C-CG1 3.49Å; E418-I604 WeakPolarHBondContact O-CG1 3.03Å
419D93.4Very high92.3Very high9 Ų934.5 Ų34.55%0.04818%0.183CC..  trans-66.8113.3168.4-168.7-1.9000110.1N421 I422 I604 H608D419-N421 WeakPolarHBondContact OD1-CB 3.17Å; D419-N421 PolarHBondContact OD1-N 2.9Å; D419-N421 PolarHBondContact OD1-ND2 3.29Å; D419-N421 VanDerWaalsContact OD1-ND2 3.13Å; D419-I422 HydrophobicContact CB-CD1 4.26Å; D419-I422 HydrophobicContact CB-CG1 4.34Å; D419-I422 VanDerWaalsContact O-CG1 3.24Å; D419-I422 WeakPolarHBondContact O-CG1 3.46Å; D419-I604 HydrophobicContact CB-CG1 4.18Å; D419-I604 HydrophobicContact CB-CG2 4.02Å; D419-H608 HydrophobicContact CB-CB 4.27Å; D419-H608 PolarHBondContact N-ND1 3Å; D419-H608 VanDerWaalsContact N-ND1 3.19Å
420I92.5Very high92.3Very high6 Ų630.2 Ų30.23%0.03116%0.159CC..  trans-92-6.3178.859.2167.5000112.9F99 L102 S103 L106 L415 E418 I422F99-I420 HydrophobicContact CD2-CB 4.14Å; F99-I420 HydrophobicContact CD2-CD1 4.19Å; F99-I420 HydrophobicContact CD2-CG2 4.02Å; F99-I420 HydrophobicContact CE2-CB 3.85Å; F99-I420 HydrophobicContact CE2-CD1 3.92Å; F99-I420 HydrophobicContact CE2-CG1 4.41Å; F99-I420 HydrophobicContact CE2-CG2 4.25Å; F99-I420 HydrophobicContact CZ-CD1 4.4Å; L102-I420 HydrophobicContact CB-CD1 4.5Å; L102-I420 HydrophobicContact CD2-CG2 3.62Å; L102-I420 HydrophobicContact CG-CD1 4.28Å; L102-I420 HydrophobicContact CG-CG2 4.28Å; S103-I420 VanDerWaalsContact CA-CD1 3.49Å; L106-I420 HydrophobicContact CD1-CD1 4.31Å; L106-I420 HydrophobicContact CD1-CG1 4.04Å; L415-I420 HydrophobicContact CD1-CG2 4.45Å; E418-I420 HydrophobicContact CG-CG2 4.14Å; E418-I420 PolarHBondContact O-N 3.39Å; E418-I420 VanDerWaalsContact O-N 3.14Å; I420-I422 PolarHBondContact O-N 2.78Å
421N90.3Very high92.3Very high117 Ų11731.5 Ų31.563%0.62617%0.168SC*.SBendtrans-81.81.9179.4-57.2-61.2000113.1D419 L469D419-N421 WeakPolarHBondContact OD1-CB 3.17Å; D419-N421 PolarHBondContact OD1-N 2.9Å; D419-N421 PolarHBondContact OD1-ND2 3.29Å; D419-N421 VanDerWaalsContact OD1-ND2 3.13Å; N421-L469 VanDerWaalsContact C-CD2 3.41Å; N421-L469 WeakPolarHBondContact O-CD2 3.44Å
422I89.7Confident92.2Very high38 Ų3836.2 Ų36.220%0.19519%0.187CC..SBendtrans-112152.9175.259.5173.5000110.3D419 I420 N424 R467 H532D419-I422 HydrophobicContact CB-CD1 4.26Å; D419-I422 HydrophobicContact CB-CG1 4.34Å; D419-I422 VanDerWaalsContact O-CG1 3.24Å; D419-I422 WeakPolarHBondContact O-CG1 3.46Å; I420-I422 PolarHBondContact O-N 2.78Å; I422-N424 VanDerWaalsContact C-N 3.32Å; I422-N424 WeakPolarHBondContact CD1-O 3.45Å; I422-N424 WeakPolarHBondContact CG1-O 3.11Å; I422-N424 PolarHBondContact O-N 2.9Å; I422-R467 PolarHBondContact O-NH2 3.19Å; I422-H532 WeakPolarHBondContact CD1-CE1 3.4Å
423P82.2Confident92.3Very high75 Ų7535.6 Ų35.649%0.48718%0.184SC..SBendtrans-70.1-29.6-176.226.6-34.7000112.9R467 L469P423-R467 VanDerWaalsContact O-O 3.1Å; P423-L469 HydrophobicContact CB-CG 4.2Å
424N85.3Confident92.5Very high82 Ų8234.8 Ų34.844%0.43918%0.178SC..SBendtrans-94.2133.8-175.9-60.5-23.2000110.3I422 E428I422-N424 VanDerWaalsContact C-N 3.32Å; I422-N424 WeakPolarHBondContact CD1-O 3.45Å; I422-N424 WeakPolarHBondContact CG1-O 3.11Å; I422-N424 PolarHBondContact O-N 2.9Å; N424-E428 HydrophobicContact CB-CB 4.1Å; N424-E428 HydrophobicContact CB-CG 4.27Å
425S90.6Very high92.6Very high31 Ų3133.4 Ų33.422%0.21718%0.183CC..  trans-67.5160.9166.271.10000110.4E418 D427 E428E418-S425 WeakPolarHBondContact OE2-CA 3.33Å; S425-D427 PolarHBondContact O-N 3.04Å; S425-D427 PolarHBondContact OG-N 2.99Å; S425-E428 WeakPolarHBondContact O-CB 3.47Å; S425-E428 PolarHBondContact O-N 3.26Å
426L92Very high92.8Very high1 Ų133.4 Ų33.41%0.00518%0.183CC..G310 helixtrans-55.5-28.1174.173.188.1000112.8V416 E418 E428 C429 H608 N611 E612 S615V416-L426 HydrophobicContact CG2-CD2 3.26Å; E418-L426 HydrophobicContact CB-CB 4.45Å; E418-L426 HydrophobicContact CB-CD2 3.67Å; E418-L426 WeakPolarHBondContact OE2-CG 3.23Å; E418-L426 PolarHBondContact OE2-N 3.42Å; L426-E428 PolarHBondContact O-N 2.84Å; L426-E428 VanDerWaalsContact O-N 3.1Å; L426-C429 PolarHBondContact O-N 2.81Å; L426-C429 VanDerWaalsContact O-N 3.14Å; L426-C429 PolarHBondContact O-SG 2.99Å; L426-H608 VanDerWaalsContact CA-CE1 3.45Å; L426-H608 WeakPolarHBondContact CA-CE1 3.27Å; L426-H608 PolarHBondContact N-CE1 3.46Å; L426-N611 HydrophobicContact CD2-CB 3.77Å; L426-E612 HydrophobicContact CB-CG 3.95Å; L426-S615 WeakPolarHBondContact CD1-OG 3.48Å
427D91.8Very high93Very high5 Ų533.4 Ų33.43%0.02718%0.183CC..G310 helixtrans-68.3-7.7-178.1-77.7-55.3000113.5R123 N413 S425 C429 M430 R434 S615R123-D427 IonicContact CZ-OD1 3.54Å; R123-D427 IonicContact CZ-OD2 3.54Å; R123-D427 IonicContact NH1-OD1 2.84Å; R123-D427 PolarHBondContact NH1-OD1 3.17Å; R123-D427 IonicContact NH1-OD2 3.92Å; R123-D427 PolarHBondContact NH1-OD2 2.99Å; R123-D427 IonicContact NH2-OD1 3.59Å; R123-D427 PolarHBondContact NH2-OD1 3.46Å; R123-D427 IonicContact NH2-OD2 3.83Å; N413-D427 HydrophobicContact CB-CB 4.21Å; N413-D427 WeakPolarHBondContact CB-OD2 3.5Å; S425-D427 PolarHBondContact O-N 3.04Å; S425-D427 PolarHBondContact OG-N 2.99Å; D427-C429 VanDerWaalsContact C-N 3.27Å; D427-C429 PolarHBondContact O-N 3.03Å; D427-M430 WeakPolarHBondContact O-CB 3.46Å; D427-M430 PolarHBondContact O-N 3.38Å; D427-R434 PolarHBondContact O-NH2 3.04Å; D427-S615 PolarHBondContact OD1-OG 3.22Å
428E92.7Very high93.2Very high70 Ų7033.5 Ų33.533%0.32718%0.184SC..G310 helixtrans-65.5-30.1170.7-171.260.6-13000111.7N424 S425 L426 M430 S431 R466N424-E428 HydrophobicContact CB-CB 4.1Å; N424-E428 HydrophobicContact CB-CG 4.27Å; S425-E428 WeakPolarHBondContact O-CB 3.47Å; S425-E428 PolarHBondContact O-N 3.26Å; L426-E428 PolarHBondContact O-N 2.84Å; L426-E428 VanDerWaalsContact O-N 3.1Å; E428-M430 PolarHBondContact O-N 3.13Å; E428-S431 VanDerWaalsContact O-CB 3.32Å; E428-S431 WeakPolarHBondContact O-CB 3.41Å; E428-S431 PolarHBondContact O-N 2.8Å; E428-S431 PolarHBondContact O-OG 3.16Å; E428-S431 VanDerWaalsContact O-OG 3.05Å; E428-S431 WeakPolarHBondContact OE1-CB 3.45Å; E428-S431 PolarHBondContact OE1-OG 2.68Å; E428-R466 IonicContact OE2-CZ 2.58Å; E428-R466 IonicContact OE2-NH1 2.66Å; E428-R466 PolarHBondContact OE2-NH1 3.35Å
429C94.9Very high93.4Very high5 Ų533.3 Ų33.33%0.03418%0.183CC..G310 helixtrans-60.3-23.1175.779.30000112L426 D427 S529 E612L426-C429 PolarHBondContact O-N 2.81Å; L426-C429 VanDerWaalsContact O-N 3.14Å; L426-C429 PolarHBondContact O-SG 2.99Å; D427-C429 VanDerWaalsContact C-N 3.27Å; D427-C429 PolarHBondContact O-N 3.03Å; C429-S529 WeakPolarHBondContact O-CB 3.41Å; C429-S529 PolarHBondContact O-OG 3.08Å; C429-E612 HydrophobicContact CB-CB 4.31Å; C429-E612 HydrophobicContact CB-CG 4.12Å
430M95.1Very high93.6Very high6 Ų632.9 Ų32.93%0.0318%0.181CC..G310 helixtrans-90.5-6.1179.7-87.9-66.5-60.900113.8D427 E428 K432 M433 R434 M616D427-M430 WeakPolarHBondContact O-CB 3.46Å; D427-M430 PolarHBondContact O-N 3.38Å; E428-M430 PolarHBondContact O-N 3.13Å; M430-K432 PolarHBondContact O-N 3.01Å; M430-M433 HydrophobicContact CE-CB 3.84Å; M430-M433 HydrophobicContact CE-CG 3.94Å; M430-M433 HydrophobicContact CE-SD 3.59Å; M430-M433 VanDerWaalsContact CE-SD 3.59Å; M430-M433 PolarHBondContact O-N 2.77Å; M430-M433 VanDerWaalsContact O-N 3.1Å; M430-M433 HydrophobicContact SD-CB 4.11Å; M430-M433 HydrophobicContact SD-CE 4.12Å; M430-M433 HydrophobicContact SD-CG 4.45Å; M430-M433 HydrophobicContact SD-SD 3.74Å; M430-R434 WeakPolarHBondContact O-CB 3.44Å; M430-R434 PolarHBondContact O-N 3.37Å; M430-M616 HydrophobicContact CG-CG 4.39Å; M430-M616 HydrophobicContact CG-SD 3.73Å; M430-M616 HydrophobicContact SD-CB 4.45Å; M430-M616 HydrophobicContact SD-CE 4.48Å; M430-M616 HydrophobicContact SD-CG 4.25Å; M430-M616 HydrophobicContact SD-SD 3.36Å
431S94.1Very high93.9Very high31 Ų3132.8 Ų32.822%0.21718%0.18CC..Hα-helixtrans-53.4-47.2-171.2-70.10000113.7E428 R434 S435E428-S431 VanDerWaalsContact O-CB 3.32Å; E428-S431 WeakPolarHBondContact O-CB 3.41Å; E428-S431 PolarHBondContact O-N 2.8Å; E428-S431 PolarHBondContact O-OG 3.16Å; E428-S431 VanDerWaalsContact O-OG 3.05Å; E428-S431 WeakPolarHBondContact OE1-CB 3.45Å; E428-S431 PolarHBondContact OE1-OG 2.68Å; S431-R434 PolarHBondContact O-N 3.2Å; S431-S435 PolarHBondContact O-N 3.31Å
432K94.9Very high94.3Very high116 Ų11627.8 Ų27.850%0.50415%0.153SC..Hα-helixtrans-62.8-45.6178.4-177175.3179.2-178.90112M430 S435 V436 F502M430-K432 PolarHBondContact O-N 3.01Å; K432-S435 PolarHBondContact O-N 2.89Å; K432-V436 WeakPolarHBondContact O-CG2 3.2Å; K432-V436 PolarHBondContact O-N 3.46Å; K432-F502 VanDerWaalsContact CE-O 3.31Å; K432-F502 WeakPolarHBondContact CE-O 3.36Å
433M96.9Very high94.6Very high8 Ų826.4 Ų26.44%0.03915%0.148CC..Hα-helixtrans-66.8-39.8-180-169.7-178.8-57.600111.3M430 V436 L437 L525 M616 L620 L623M430-M433 HydrophobicContact CE-CB 3.84Å; M430-M433 HydrophobicContact CE-CG 3.94Å; M430-M433 HydrophobicContact CE-SD 3.59Å; M430-M433 VanDerWaalsContact CE-SD 3.59Å; M430-M433 PolarHBondContact O-N 2.77Å; M430-M433 VanDerWaalsContact O-N 3.1Å; M430-M433 HydrophobicContact SD-CB 4.11Å; M430-M433 HydrophobicContact SD-CE 4.12Å; M430-M433 HydrophobicContact SD-CG 4.45Å; M430-M433 HydrophobicContact SD-SD 3.74Å; M433-V436 WeakPolarHBondContact O-CB 3.28Å; M433-V436 PolarHBondContact O-N 2.93Å; M433-L437 HydrophobicContact CG-CD1 4.4Å; M433-L437 WeakPolarHBondContact O-CG 3.48Å; M433-L437 PolarHBondContact O-N 2.7Å; M433-L525 HydrophobicContact CE-CD1 4.13Å; M433-M616 HydrophobicContact CE-CE 3.71Å; M433-M616 HydrophobicContact CE-SD 4.44Å; M433-L620 HydrophobicContact CE-CB 4.03Å; M433-L620 HydrophobicContact CE-CD1 4.22Å; M433-L620 HydrophobicContact SD-CB 4.21Å; M433-L620 PolarHBondContact SD-N 3.07Å; M433-L620 VanDerWaalsContact SD-N 3.35Å; M433-L623 HydrophobicContact CG-CD2 4.07Å
434R96Very high95.3Very high19 Ų1922.8 Ų22.87%0.07213%0.125CC..Hα-helixtrans-62.4-42175.5-165.4-166.7-44.7-130-8112.2N413 D427 M430 S431 V436 L437 N438 E464N413-R434 PolarHBondContact ND2-NH1 3.49Å; N413-R434 PolarHBondContact OD1-NH1 3.37Å; D427-R434 PolarHBondContact O-NH2 3.04Å; M430-R434 WeakPolarHBondContact O-CB 3.44Å; M430-R434 PolarHBondContact O-N 3.37Å; S431-R434 PolarHBondContact O-N 3.2Å; R434-V436 VanDerWaalsContact C-N 3.29Å; R434-V436 PolarHBondContact O-N 3.31Å; R434-L437 WeakPolarHBondContact O-CB 3.1Å; R434-L437 PolarHBondContact O-N 3.43Å; R434-N438 WeakPolarHBondContact O-CB 3.49Å; R434-N438 VanDerWaalsContact O-CG 3.23Å; R434-N438 PolarHBondContact O-N 3.15Å; R434-N438 PolarHBondContact O-ND2 3.45Å; R434-E464 WeakPolarHBondContact CD-OE1 3.33Å; R434-E464 IonicContact CZ-OE1 3.05Å; R434-E464 IonicContact NE-OE1 3.45Å; R434-E464 IonicContact NH1-OE1 3.2Å; R434-E464 PolarHBondContact NH1-OE1 3Å; R434-E464 IonicContact NH1-OE2 3.72Å
435S96.7Very high95.9Very high65 Ų6518.9 Ų18.946%0.45510%0.104SC..Hα-helixtrans-58.4-42.5173.2172.70000111.6S431 K432 G439S431-S435 PolarHBondContact O-N 3.31Å; K432-S435 PolarHBondContact O-N 2.89Å; S435-G439 PolarHBondContact O-N 2.91Å
436V98Very high96.1Very high8 Ų820.9 Ų20.95%0.04811%0.112CC..Hα-helixtrans-63.3-46174.8173.40000111.4K432 M433 R434 G439 L440 L483 F498 F502 L623K432-V436 WeakPolarHBondContact O-CG2 3.2Å; K432-V436 PolarHBondContact O-N 3.46Å; M433-V436 WeakPolarHBondContact O-CB 3.28Å; M433-V436 PolarHBondContact O-N 2.93Å; R434-V436 VanDerWaalsContact C-N 3.29Å; R434-V436 PolarHBondContact O-N 3.31Å; V436-G439 PolarHBondContact O-N 3.37Å; V436-L440 HydrophobicContact CG1-CD1 4.2Å; V436-L440 HydrophobicContact CG1-CG 4.46Å; V436-L440 WeakPolarHBondContact O-CG 3.35Å; V436-L440 PolarHBondContact O-N 3.16Å; V436-L483 HydrophobicContact CB-CD1 4.44Å; V436-L483 HydrophobicContact CG1-CD1 4.39Å; V436-L483 HydrophobicContact CG2-CD1 4.47Å; V436-F498 HydrophobicContact CG1-CE1 4.33Å; V436-F498 HydrophobicContact CG1-CE2 4.45Å; V436-F498 HydrophobicContact CG1-CZ 3.57Å; V436-F502 HydrophobicContact CG1-CB 4.45Å; V436-F502 HydrophobicContact CG2-CB 4.23Å; V436-L623 HydrophobicContact CG1-CD1 4.08Å
437L98.1Very high96.3Very high3 Ų325.1 Ų25.12%0.01613%0.132CC..Hα-helixtrans-59.2-50.3178.1-71.7168.9000112L401 M433 R434 G439 L440 I441 H622 L623 L626L401-L437 HydrophobicContact CD1-CD1 4.25Å; M433-L437 HydrophobicContact CG-CD1 4.4Å; M433-L437 WeakPolarHBondContact O-CG 3.48Å; M433-L437 PolarHBondContact O-N 2.7Å; R434-L437 WeakPolarHBondContact O-CB 3.1Å; R434-L437 PolarHBondContact O-N 3.43Å; L437-G439 VanDerWaalsContact C-N 3.3Å; L437-G439 PolarHBondContact O-N 2.89Å; L437-L440 WeakPolarHBondContact O-CB 3.45Å; L437-L440 PolarHBondContact O-N 2.85Å; L437-I441 WeakPolarHBondContact O-CG1 3.44Å; L437-I441 PolarHBondContact O-N 2.78Å; L437-H622 WeakPolarHBondContact CD2-CD2 3.45Å; L437-L623 HydrophobicContact CD2-CB 3.86Å; L437-L623 HydrophobicContact CD2-CD1 3.69Å; L437-L623 HydrophobicContact CD2-CG 4.38Å; L437-L623 HydrophobicContact CG-CD1 4.4Å; L437-L626 HydrophobicContact CD2-CD2 4.1Å
438N97.8Very high96.4Very high5 Ų525.6 Ų25.63%0.02713%0.134CC..Hα-helixtrans-63.1-39.8179.3-65.7-11000111.2C404 M405 R434 I441 L442 I462 V480C404-N438 PolarHBondContact SG-ND2 2.82Å; C404-N438 PolarHBondContact SG-OD1 3.41Å; C404-N438 VanDerWaalsContact SG-OD1 3.35Å; M405-N438 HydrophobicContact SD-CB 3.88Å; R434-N438 WeakPolarHBondContact O-CB 3.49Å; R434-N438 VanDerWaalsContact O-CG 3.23Å; R434-N438 PolarHBondContact O-N 3.15Å; R434-N438 PolarHBondContact O-ND2 3.45Å; N438-I441 PolarHBondContact O-N 3.01Å; N438-L442 WeakPolarHBondContact O-CB 3.29Å; N438-L442 PolarHBondContact O-N 3.5Å; N438-I462 WeakPolarHBondContact ND2-CD1 3.24Å; N438-V480 HydrophobicContact CB-CG1 3.81Å; N438-V480 HydrophobicContact CB-CG2 4.2Å
439G98.2Very high96.5Very high0 Ų025 Ų250%015%0.147CC..Hα-helixtrans-62.8-41.2174.600000112.8S435 V436 L437 L442 G443 N481 L483S435-G439 PolarHBondContact O-N 2.91Å; V436-G439 PolarHBondContact O-N 3.37Å; L437-G439 VanDerWaalsContact C-N 3.3Å; L437-G439 PolarHBondContact O-N 2.89Å; G439-L442 PolarHBondContact O-N 3.1Å; G439-G443 PolarHBondContact O-N 2.91Å; G439-N481 WeakPolarHBondContact CA-O 3.41Å; G439-L483 PolarHBondContact O-N 3.17Å
440L98.3Very high96.6Very high0 Ų025.4 Ų25.40%015%0.149CC..Hα-helixtrans-62.6-42.6175.4-75.5173.3000112.2V436 L437 G443 L444 L483 P485 F498 L623 L626 I627 L630V436-L440 HydrophobicContact CG1-CD1 4.2Å; V436-L440 HydrophobicContact CG1-CG 4.46Å; V436-L440 WeakPolarHBondContact O-CG 3.35Å; V436-L440 PolarHBondContact O-N 3.16Å; L437-L440 WeakPolarHBondContact O-CB 3.45Å; L437-L440 PolarHBondContact O-N 2.85Å; L440-G443 PolarHBondContact O-N 3.21Å; L440-L444 WeakPolarHBondContact O-CB 3.25Å; L440-L444 PolarHBondContact O-N 2.71Å; L440-L483 WeakPolarHBondContact CA-O 3.49Å; L440-L483 HydrophobicContact CD2-CB 4.41Å; L440-P485 HydrophobicContact CD2-CG 4.18Å; L440-F498 HydrophobicContact CD1-CE2 4.25Å; L440-F498 HydrophobicContact CD1-CZ 3.87Å; L440-F498 HydrophobicContact CD2-CE2 3.94Å; L440-F498 HydrophobicContact CD2-CZ 4.39Å; L440-F498 HydrophobicContact CG-CE2 4.45Å; L440-F498 HydrophobicContact CG-CZ 4.45Å; L440-L623 HydrophobicContact CD1-CD1 3.67Å; L440-L626 HydrophobicContact CB-CD2 3.91Å; L440-L626 HydrophobicContact CD1-CD2 3.82Å; L440-L626 HydrophobicContact CD1-CG 4.4Å; L440-I627 HydrophobicContact CD1-CG2 3.68Å; L440-L630 HydrophobicContact CB-CD1 4.17Å; L440-L630 HydrophobicContact CD2-CD1 4.02Å
441I98.1Very high96.6Very high3 Ų328 Ų282%0.01516%0.164CC..Hα-helixtrans-63.1-50175.8-66.7-53.2000110.6M402 M405 Y406 L437 N438 G443 L444 E445 L454 L626M402-I441 HydrophobicContact CE-CD1 3.43Å; M402-I441 VanDerWaalsContact CE-CD1 3.43Å; M402-I441 HydrophobicContact CE-CG1 4.08Å; M405-I441 HydrophobicContact CB-CG2 4.21Å; M405-I441 HydrophobicContact CE-CB 4.35Å; M405-I441 HydrophobicContact CE-CG2 4.05Å; M405-I441 HydrophobicContact CG-CB 4.46Å; M405-I441 HydrophobicContact CG-CG2 4.08Å; Y406-I441 HydrophobicContact CE2-CG2 3.8Å; Y406-I441 WeakPolarHBondContact OH-CG2 3.44Å; L437-I441 WeakPolarHBondContact O-CG1 3.44Å; L437-I441 PolarHBondContact O-N 2.78Å; N438-I441 PolarHBondContact O-N 3.01Å; I441-G443 VanDerWaalsContact C-N 3.3Å; I441-G443 PolarHBondContact O-N 2.85Å; I441-L444 WeakPolarHBondContact O-CB 3.4Å; I441-L444 PolarHBondContact O-N 2.87Å; I441-L444 VanDerWaalsContact O-N 3.15Å; I441-E445 WeakPolarHBondContact O-CG 3.31Å; I441-E445 PolarHBondContact O-N 3.4Å; I441-L454 HydrophobicContact CG2-CD2 4.14Å; I441-L626 HydrophobicContact CD1-CD1 4.36Å; I441-L626 HydrophobicContact CD1-CD2 4.19Å
442L98.1Very high96.6Very high12 Ų1230 Ų306%0.06319%0.188CC..Hα-helixtrans-59.6-40.8177179.759.6000112.1M405 N438 G439 L444 E445 N446 L454 M457 V480 P482M405-L442 HydrophobicContact CE-CB 3.96Å; N438-L442 WeakPolarHBondContact O-CB 3.29Å; N438-L442 PolarHBondContact O-N 3.5Å; G439-L442 PolarHBondContact O-N 3.1Å; L442-L444 VanDerWaalsContact C-N 3.35Å; L442-E445 PolarHBondContact O-N 2.96Å; L442-N446 VanDerWaalsContact O-CB 3.26Å; L442-N446 WeakPolarHBondContact O-CB 3.14Å; L442-N446 VanDerWaalsContact O-CG 3.26Å; L442-N446 PolarHBondContact O-N 2.86Å; L442-N446 PolarHBondContact O-ND2 3.37Å; L442-L454 HydrophobicContact CD1-CD1 3.62Å; L442-M457 HydrophobicContact CD1-CE 4.16Å; L442-M457 HydrophobicContact CD1-SD 3.91Å; L442-M457 HydrophobicContact CD2-CE 4.02Å; L442-V480 HydrophobicContact CB-CG1 4.21Å; L442-V480 HydrophobicContact CD2-CB 4.36Å; L442-V480 HydrophobicContact CD2-CG1 3.86Å; L442-P482 HydrophobicContact CD2-CB 4.13Å; L442-P482 HydrophobicContact CD2-CG 4.47Å; L442-P482 HydrophobicContact CG-CB 4.03Å
443G97.3Very high96.6Very high9 Ų924.5 Ų24.59%0.09317%0.165CC..Hα-helixtrans-66-34.9176.600000113.5G439 L440 I441 H447 L483 Y634G439-G443 PolarHBondContact O-N 2.91Å; L440-G443 PolarHBondContact O-N 3.21Å; I441-G443 VanDerWaalsContact C-N 3.3Å; I441-G443 PolarHBondContact O-N 2.85Å; G443-H447 WeakPolarHBondContact O-CB 3.33Å; G443-H447 PolarHBondContact O-N 3.22Å; G443-H447 VanDerWaalsContact O-N 3.14Å; G443-L483 WeakPolarHBondContact CA-O 3.47Å; G443-Y634 PolarHBondContact O-OH 3.39Å
444L96.6Very high96.5Very high0 Ų024.6 Ų24.60%017%0.165CC..Hα-helixtrans-65-52.3172.6176.963.9000111.2L388 L440 I441 L442 N446 H447 L448 L630 F633 Y634L388-L444 HydrophobicContact CD2-CD2 3.48Å; L388-L444 VanDerWaalsContact CD2-CD2 3.48Å; L440-L444 WeakPolarHBondContact O-CB 3.25Å; L440-L444 PolarHBondContact O-N 2.71Å; I441-L444 WeakPolarHBondContact O-CB 3.4Å; I441-L444 PolarHBondContact O-N 2.87Å; I441-L444 VanDerWaalsContact O-N 3.15Å; L442-L444 VanDerWaalsContact C-N 3.35Å; L444-N446 VanDerWaalsContact C-N 3.32Å; L444-N446 PolarHBondContact O-N 3.08Å; L444-H447 WeakPolarHBondContact O-CB 3.41Å; L444-H447 PolarHBondContact O-N 3.41Å; L444-L448 HydrophobicContact CD1-CD1 3.77Å; L444-L448 HydrophobicContact CD1-CG 4.13Å; L444-L448 HydrophobicContact CG-CD1 3.92Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 2.88Å; L444-L630 HydrophobicContact CD1-CD2 3.92Å; L444-L630 HydrophobicContact CD2-CD2 4.26Å; L444-L630 HydrophobicContact CG-CD2 4.49Å; L444-F633 HydrophobicContact CD1-CD1 4.41Å; L444-F633 HydrophobicContact CD1-CE1 3.87Å; L444-F633 HydrophobicContact CD1-CZ 4.49Å; L444-Y634 VanDerWaalsContact CA-OH 3.3Å; L444-Y634 WeakPolarHBondContact CA-OH 3.41Å; L444-Y634 PolarHBondContact N-OH 3.3Å
445E96.9Very high96.5Very high0 Ų024.4 Ų24.40%017%0.166CC..Hα-helixtrans-66.4-35.1-177.7-58.4-55.2173.100112.7W384 Y406 I441 L442 H447 L448 G449 T450 K453 L454W384-E445 PolarHBondContact NE1-OE1 2.6Å; Y406-E445 PolarHBondContact OH-OE1 2.89Å; I441-E445 WeakPolarHBondContact O-CG 3.31Å; I441-E445 PolarHBondContact O-N 3.4Å; L442-E445 PolarHBondContact O-N 2.96Å; E445-H447 VanDerWaalsContact C-N 3.31Å; E445-H447 PolarHBondContact O-N 2.85Å; E445-L448 PolarHBondContact O-N 3.38Å; E445-G449 PolarHBondContact O-N 3.32Å; E445-T450 PolarHBondContact O-N 3.25Å; E445-T450 PolarHBondContact O-OG1 3.26Å; E445-T450 WeakPolarHBondContact OE2-CB 3.22Å; E445-T450 PolarHBondContact OE2-OG1 2.89Å; E445-K453 WeakPolarHBondContact OE1-CE 3.5Å; E445-K453 IonicContact OE1-NZ 2.76Å; E445-K453 PolarHBondContact OE1-NZ 3.22Å; E445-K453 WeakPolarHBondContact OE2-CE 3.38Å; E445-K453 IonicContact OE2-NZ 3.79Å; E445-K453 PolarHBondContact OE2-NZ 3.34Å; E445-L454 HydrophobicContact CB-CD1 3.84Å; E445-L454 HydrophobicContact CB-CG 4.21Å; E445-L454 HydrophobicContact CG-CD1 3.97Å; E445-L454 HydrophobicContact CG-CD2 3.81Å; E445-L454 HydrophobicContact CG-CG 3.91Å
446N96.7Very high96.5Very high72 Ų7221.7 Ų21.739%0.38515%0.149SC..Hα-helixtrans-59.4-42.9170.3-83.6-31.6000111.9L442 L444 G449 N451L442-N446 VanDerWaalsContact O-CB 3.26Å; L442-N446 WeakPolarHBondContact O-CB 3.14Å; L442-N446 VanDerWaalsContact O-CG 3.26Å; L442-N446 PolarHBondContact O-N 2.86Å; L442-N446 PolarHBondContact O-ND2 3.37Å; L444-N446 VanDerWaalsContact C-N 3.32Å; L444-N446 PolarHBondContact O-N 3.08Å; N446-G449 PolarHBondContact O-N 2.98Å; N446-N451 PolarHBondContact N-OD1 3.1Å; N446-N451 VanDerWaalsContact OD1-CG 3.27Å; N446-N451 PolarHBondContact OD1-ND2 3.21Å; N446-N451 PolarHBondContact OD1-OD1 3.01Å; N446-N451 VanDerWaalsContact OD1-OD1 3.05Å
447H94.8Very high96.5Very high90 Ų9023 Ų2342%0.41716%0.155SC..Hα-helixtrans-67.8-37.3179.6-176.979.7000112.3G443 L444 E445 F633 Y634G443-H447 WeakPolarHBondContact O-CB 3.33Å; G443-H447 PolarHBondContact O-N 3.22Å; G443-H447 VanDerWaalsContact O-N 3.14Å; L444-H447 WeakPolarHBondContact O-CB 3.41Å; L444-H447 PolarHBondContact O-N 3.41Å; E445-H447 VanDerWaalsContact C-N 3.31Å; E445-H447 PolarHBondContact O-N 2.85Å; H447-F633 AromaticContact CD2-CE1 3.64Å; H447-F633 AromaticContact CD2-CZ 3.69Å; H447-F633 AromaticContact NE2-CZ 3.95Å; H447-Y634 HydrophobicContact CB-CE1 4.03Å; H447-Y634 AromaticContact CG-CE1 3.72Å; H447-Y634 AromaticContact ND1-CE1 3.88Å
448L94.3Very high96.2Very high15 Ų1529.4 Ų29.48%0.07919%0.185CC..Hα-helixtrans-82.6-12.1-179.5-66175.5000113.8R383 L444 E445 T450 F633R383-L448 HydrophobicContact CB-CB 4.45Å; R383-L448 HydrophobicContact CB-CD1 4.39Å; R383-L448 HydrophobicContact CB-CD2 4.47Å; R383-L448 PolarHBondContact NH1-O 2.96Å; R383-L448 WeakPolarHBondContact O-CD1 3.4Å; L444-L448 HydrophobicContact CD1-CD1 3.77Å; L444-L448 HydrophobicContact CD1-CG 4.13Å; L444-L448 HydrophobicContact CG-CD1 3.92Å; L444-L448 WeakPolarHBondContact O-CG 3.49Å; L444-L448 PolarHBondContact O-N 2.88Å; E445-L448 PolarHBondContact O-N 3.38Å; L448-T450 HydrophobicContact CB-CG2 4.24Å; L448-T450 VanDerWaalsContact CB-OG1 3.27Å; L448-T450 WeakPolarHBondContact CB-OG1 3.13Å; L448-F633 HydrophobicContact CD2-CZ 4.03Å
449G95.5Very high95.9Very high58 Ų5835.4 Ų35.460%0.59822%0.217SC*.THydrogen-bonded Turntrans71.831-17600000112.8E445 N446E445-G449 PolarHBondContact O-N 3.32Å; N446-G449 PolarHBondContact O-N 2.98Å
450T96.1Very high95.6Very high13 Ų1341.2 Ų41.28%0.0824%0.244CC..  trans-118.825.7-169.941.80000112.6R383 E445 L448 G452 K453R383-T450 HydrophobicContact CB-CG2 4.12Å; R383-T450 HydrophobicContact CG-CG2 4.08Å; E445-T450 PolarHBondContact O-N 3.25Å; E445-T450 PolarHBondContact O-OG1 3.26Å; E445-T450 WeakPolarHBondContact OE2-CB 3.22Å; E445-T450 PolarHBondContact OE2-OG1 2.89Å; L448-T450 HydrophobicContact CB-CG2 4.24Å; L448-T450 VanDerWaalsContact CB-OG1 3.27Å; L448-T450 WeakPolarHBondContact CB-OG1 3.13Å; T450-G452 PolarHBondContact O-N 3Å; T450-K453 WeakPolarHBondContact O-CG 3.34Å; T450-K453 PolarHBondContact O-N 3.1Å
451N95.3Very high95.6Very high62 Ų6246.2 Ų46.233%0.33226%0.264SS..G310 helixtrans-58.7-19.5178.9-65-51.2000114.4N446 K453 L454N446-N451 PolarHBondContact N-OD1 3.1Å; N446-N451 VanDerWaalsContact OD1-CG 3.27Å; N446-N451 PolarHBondContact OD1-ND2 3.21Å; N446-N451 PolarHBondContact OD1-OD1 3.01Å; N446-N451 VanDerWaalsContact OD1-OD1 3.05Å; N451-K453 PolarHBondContact O-N 3.31Å; N451-L454 WeakPolarHBondContact O-CB 3.46Å; N451-L454 PolarHBondContact O-N 3.33Å
452G93.2Very high95.5Very high71 Ų7146.1 Ų46.173%0.73226%0.263SS*.G310 helixtrans-56.7-31.9179.600000114.3T450 L454T450-G452 PolarHBondContact O-N 3Å; G452-L454 VanDerWaalsContact C-N 3.35Å
453K94.8Very high95.5Very high2 Ų246.1 Ų46.11%0.00926%0.264CS..G310 helixtrans-82.2-6.6177.869.1-173.4177.1179.30114.2S379 I380 H382 W384 Y406 E445 T450 N451 C455S379-K453 WeakPolarHBondContact O-CD 3.38Å; I380-K453 PolarHBondContact O-NZ 3.4Å; H382-K453 PolarHBondContact O-NZ 2.98Å; W384-K453 VanDerWaalsContact CD1-NZ 3.31Å; W384-K453 VanDerWaalsContact NE1-NZ 3.19Å; Y406-K453 HydrophobicContact CD1-CG 4.44Å; Y406-K453 HydrophobicContact CE1-CD 4.35Å; Y406-K453 HydrophobicContact CE1-CG 4.06Å; E445-K453 WeakPolarHBondContact OE1-CE 3.5Å; E445-K453 IonicContact OE1-NZ 2.76Å; E445-K453 PolarHBondContact OE1-NZ 3.22Å; E445-K453 WeakPolarHBondContact OE2-CE 3.38Å; E445-K453 IonicContact OE2-NZ 3.79Å; E445-K453 PolarHBondContact OE2-NZ 3.34Å; T450-K453 WeakPolarHBondContact O-CG 3.34Å; T450-K453 PolarHBondContact O-N 3.1Å; N451-K453 PolarHBondContact O-N 3.31Å; K453-C455 PolarHBondContact O-N 3.37Å
454L96.8Very high95.4Very high10 Ų1046 Ų465%0.05226%0.26CS..  trans-75.554.6174.3-65.9179000111.9M405 Y406 I441 L442 E445 N451 G452 G456 M457M405-L454 HydrophobicContact CB-CD2 3.99Å; M405-L454 HydrophobicContact CE-CD2 4.12Å; M405-L454 CarbonylContact O-C 3.58Å; M405-L454 VanDerWaalsContact O-CA 3.3Å; M405-L454 WeakPolarHBondContact O-CA 3.43Å; Y406-L454 HydrophobicContact CD1-CD2 4.25Å; Y406-L454 HydrophobicContact CE1-CD2 3.71Å; I441-L454 HydrophobicContact CG2-CD2 4.14Å; L442-L454 HydrophobicContact CD1-CD1 3.62Å; E445-L454 HydrophobicContact CB-CD1 3.84Å; E445-L454 HydrophobicContact CB-CG 4.21Å; E445-L454 HydrophobicContact CG-CD1 3.97Å; E445-L454 HydrophobicContact CG-CD2 3.81Å; E445-L454 HydrophobicContact CG-CG 3.91Å; N451-L454 WeakPolarHBondContact O-CB 3.46Å; N451-L454 PolarHBondContact O-N 3.33Å; G452-L454 VanDerWaalsContact C-N 3.35Å; L454-G456 PolarHBondContact O-N 2.85Å; L454-M457 HydrophobicContact CB-CB 4.49Å; L454-M457 HydrophobicContact CB-CG 4.3Å; L454-M457 HydrophobicContact CB-SD 4.29Å; L454-M457 HydrophobicContact CD1-SD 3.91Å; L454-M457 WeakPolarHBondContact O-CB 3.35Å; L454-M457 PolarHBondContact O-N 2.96Å
455C95.9Very high95.3Very high14 Ų1448.1 Ų48.110%0.09527%0.269CS..THydrogen-bonded Turntrans-69.9-11.6-171.864.90000115Q83 M405 Y406 R408 K453 M457Q83-C455 HydrophobicContact CG-CB 4.42Å; Q83-C455 WeakPolarHBondContact CG-SG 3.38Å; M405-C455 PolarHBondContact O-N 3.23Å; Y406-C455 PolarHBondContact O-SG 3.32Å; R408-C455 HydrophobicContact CG-CB 3.87Å; R408-C455 WeakPolarHBondContact CG-O 3.43Å; K453-C455 PolarHBondContact O-N 3.37Å; C455-M457 VanDerWaalsContact C-N 3.28Å
456G96.7Very high95.1Very high8 Ų851.9 Ų51.98%0.08228%0.283CS..THydrogen-bonded Turntrans-80-10.3171.100000113.7C404 M405 V407 L454C404-G456 CarbonylContact O-C 3.59Å; M405-G456 PolarHBondContact O-N 3.49Å; V407-G456 WeakPolarHBondContact O-CA 3.33Å; L454-G456 PolarHBondContact O-N 2.85Å
457M96.3Very high94.8Very high36 Ų3649.5 Ų49.518%0.17727%0.269CS..EExtended strand (participates in β ladder)trans-96.5139.8179.5-64.3-166.563.300112.8M405 L442 L454 C455 Y461 I462 V480M405-M457 HydrophobicContact CE-CG 4.13Å; M405-M457 HydrophobicContact CE-SD 3.28Å; M405-M457 WeakPolarHBondContact CE-SD 3.47Å; M405-M457 HydrophobicContact SD-CG 4.27Å; M405-M457 HydrophobicContact SD-SD 4.09Å; L442-M457 HydrophobicContact CD1-CE 4.16Å; L442-M457 HydrophobicContact CD1-SD 3.91Å; L442-M457 HydrophobicContact CD2-CE 4.02Å; L454-M457 HydrophobicContact CB-CB 4.49Å; L454-M457 HydrophobicContact CB-CG 4.3Å; L454-M457 HydrophobicContact CB-SD 4.29Å; L454-M457 HydrophobicContact CD1-SD 3.91Å; L454-M457 WeakPolarHBondContact O-CB 3.35Å; L454-M457 PolarHBondContact O-N 2.96Å; C455-M457 VanDerWaalsContact C-N 3.28Å; M457-Y461 CarbonylContact C-O 3.56Å; M457-Y461 WeakPolarHBondContact CA-O 3.41Å; M457-I462 HydrophobicContact CG-CG2 3.75Å; M457-V480 HydrophobicContact CE-CB 4.08Å
458E93Very high94.4Very high137 Ų13746.7 Ų46.764%0.6426%0.259SS*.EExtended strand (participates in β ladder)trans-138122.3170.1-173.7178.7-174.900109.2E460 Y461E458-E460 VanDerWaalsContact C-N 3.29Å; E458-E460 PolarHBondContact O-N 2.77Å; E458-Y461 PolarHBondContact N-O 2.81Å; E458-Y461 WeakPolarHBondContact O-CB 3.29Å; E458-Y461 PolarHBondContact O-N 3.12Å
459N91.2Very high94.1Very high132 Ų13250.7 Ų50.771%0.70628%0.28SS*.THydrogen-bonded Turntrans5142.4178.8-58.4-43.5000114.3Y461N459-Y461 HydrophobicContact CB-CD2 4.39Å; N459-Y461 WeakPolarHBondContact O-CD2 3.39Å; N459-Y461 VanDerWaalsContact O-CE2 3.23Å; N459-Y461 WeakPolarHBondContact O-CE2 3.33Å; N459-Y461 PolarHBondContact O-N 2.88Å
460E92.5Very high93.6Very high122 Ų12252.6 Ų52.657%0.5728%0.277SS*.THydrogen-bonded Turntrans68.910.4-175.5-49.3-177.6142.500115.4E458 S479 V480E458-E460 VanDerWaalsContact C-N 3.29Å; E458-E460 PolarHBondContact O-N 2.77Å; E460-S479 WeakPolarHBondContact O-CA 3.47Å; E460-V480 PolarHBondContact O-N 2.85Å
461Y97.2Very high93.1Very high105 Ų10552.3 Ų52.341%0.41228%0.276SS..EExtended strand (participates in β ladder)trans-108.5143.7173.5-61.3-92.7000111.3M457 E458 N459 L477 I478M457-Y461 CarbonylContact C-O 3.56Å; M457-Y461 WeakPolarHBondContact CA-O 3.41Å; E458-Y461 PolarHBondContact N-O 2.81Å; E458-Y461 WeakPolarHBondContact O-CB 3.29Å; E458-Y461 PolarHBondContact O-N 3.12Å; N459-Y461 HydrophobicContact CB-CD2 4.39Å; N459-Y461 WeakPolarHBondContact O-CD2 3.39Å; N459-Y461 VanDerWaalsContact O-CE2 3.23Å; N459-Y461 WeakPolarHBondContact O-CE2 3.33Å; N459-Y461 PolarHBondContact O-N 2.88Å; Y461-L477 HydrophobicContact CD1-CB 4Å; Y461-L477 HydrophobicContact CG-CB 4.39Å; Y461-I478 CarbonylContact C-O 3.6Å; Y461-I478 VanDerWaalsContact CA-O 3.28Å; Y461-I478 WeakPolarHBondContact CA-O 3.33Å
462I97.1Very high92.9Very high0 Ų055.2 Ų55.20%029%0.287CS..EExtended strand (participates in β ladder)trans-103.3157.9161.559.1168.5000109.8C404 M405 N438 M457 L477 I478 V480C404-I462 HydrophobicContact CB-CB 4.39Å; C404-I462 HydrophobicContact CB-CD1 3.8Å; C404-I462 VanDerWaalsContact O-CG2 3.29Å; C404-I462 WeakPolarHBondContact O-CG2 3.43Å; M405-I462 HydrophobicContact SD-CG2 3.74Å; N438-I462 WeakPolarHBondContact ND2-CD1 3.24Å; M457-I462 HydrophobicContact CG-CG2 3.75Å; I462-L477 WeakPolarHBondContact O-CA 3.28Å; I462-I478 HydrophobicContact CD1-CB 4.41Å; I462-I478 HydrophobicContact CG1-CB 3.89Å; I462-I478 PolarHBondContact N-O 3.16Å; I462-I478 PolarHBondContact O-N 2.91Å; I462-V480 HydrophobicContact CB-CG2 4.41Å; I462-V480 HydrophobicContact CD1-CG2 4.12Å; I462-V480 HydrophobicContact CG1-CG2 3.85Å; I462-V480 HydrophobicContact CG2-CG2 3.86Å
463T96.7Very high92.9Very high13 Ų1354 Ų548%0.0826%0.264CS..EExtended strand (participates in β ladder)trans-103.7127.2175.8-67.20000111.3G410 V411 Y465 K475 L477G410-T463 CarbonylContact C-O 3.54Å; G410-T463 WeakPolarHBondContact CA-O 3.48Å; V411-T463 PolarHBondContact N-O 3.12Å; T463-Y465 HydrophobicContact CG2-CD2 4.43Å; T463-Y465 HydrophobicContact CG2-CE2 3.94Å; T463-K475 HydrophobicContact CG2-CD 4.02Å; T463-K475 VanDerWaalsContact CG2-CE 3.47Å; T463-K475 HydrophobicContact CG2-CG 3.58Å; T463-K475 WeakPolarHBondContact OG1-CE 3.14Å; T463-L477 WeakPolarHBondContact OG1-CD2 3.38Å
464E95.3Very high92.8Very high5 Ų557.2 Ų57.22%0.02328%0.284CS..EExtended strand (participates in β ladder)trans-123.3135.2167.1-66.6-168.1157.800111.1V411 R434 R466 T476 I478V411-E464 HydrophobicContact CG2-CG 3.96Å; V411-E464 CarbonylContact O-C 3.17Å; V411-E464 WeakPolarHBondContact O-CA 3.22Å; R434-E464 WeakPolarHBondContact CD-OE1 3.33Å; R434-E464 IonicContact CZ-OE1 3.05Å; R434-E464 IonicContact NE-OE1 3.45Å; R434-E464 IonicContact NH1-OE1 3.2Å; R434-E464 PolarHBondContact NH1-OE1 3Å; R434-E464 IonicContact NH1-OE2 3.72Å; E464-R466 IonicContact OE2-NE 3.18Å; E464-R466 IonicContact OE2-NH2 3.47Å; E464-T476 PolarHBondContact N-O 3.49Å; E464-T476 WeakPolarHBondContact O-CA 3.47Å; E464-T476 WeakPolarHBondContact O-CB 3.46Å; E464-T476 PolarHBondContact O-N 2.82Å; E464-I478 HydrophobicContact CB-CD1 4.06Å; E464-I478 HydrophobicContact CG-CD1 3.67Å; E464-I478 WeakPolarHBondContact OE2-CD1 3.36Å
465Y95.4Very high92.7Very high45 Ų4562.7 Ų62.718%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-89.6126.2168.9-64.9-94.9000109.5L88 L92 N409 V411 T463 T474 K475L88-Y465 HydrophobicContact CD1-CD2 4Å; L88-Y465 HydrophobicContact CD1-CE2 3.9Å; L88-Y465 HydrophobicContact CD2-CE2 3.62Å; L88-Y465 HydrophobicContact CG-CE2 4.29Å; L92-Y465 HydrophobicContact CD2-CD1 4Å; L92-Y465 HydrophobicContact CD2-CD2 4.07Å; L92-Y465 HydrophobicContact CD2-CG 3.69Å; N409-Y465 WeakPolarHBondContact O-CE2 3.46Å; N409-Y465 PolarHBondContact O-OH 3.22Å; V411-Y465 PolarHBondContact O-N 2.9Å; T463-Y465 HydrophobicContact CG2-CD2 4.43Å; T463-Y465 HydrophobicContact CG2-CE2 3.94Å; Y465-T474 WeakPolarHBondContact CA-O 3.37Å; Y465-K475 HydrophobicContact CD1-CB 4.26Å; Y465-K475 HydrophobicContact CE1-CB 3.96Å; Y465-K475 HydrophobicContact CE1-CG 4.22Å
466R92.9Very high92.6Very high80 Ų8063.8 Ų63.830%0.30231%0.314SS..EExtended strand (participates in β ladder)trans-115.8141.7-179.8-63-176.5-179.5-166.1-5.1110.1E428 E464 L473 T474 I478E428-R466 IonicContact OE2-CZ 2.58Å; E428-R466 IonicContact OE2-NH1 2.66Å; E428-R466 PolarHBondContact OE2-NH1 3.35Å; E464-R466 IonicContact OE2-NE 3.18Å; E464-R466 IonicContact OE2-NH2 3.47Å; R466-L473 CarbonylContact O-C 3.59Å; R466-L473 WeakPolarHBondContact O-CA 3.3Å; R466-T474 PolarHBondContact N-O 2.98Å; R466-T474 PolarHBondContact O-N 3.09Å; R466-T474 PolarHBondContact O-OG1 3.06Å; R466-I478 VanDerWaalsContact NH2-CD1 3.32Å
467R90.5Very high92.5Very high22 Ų2268.4 Ų68.48%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-81.1133.1175.9-174.5-157.752.467.1-4110F99 I422 P423 L473F99-R467 HydrophobicContact CD2-CG 4.4Å; I422-R467 PolarHBondContact O-NH2 3.19Å; P423-R467 VanDerWaalsContact O-O 3.1Å; R467-L473 HydrophobicContact CB-CD2 4.01Å; R467-L473 HydrophobicContact CG-CD2 4.41Å
468S86.5Confident92.5Very high31 Ų3168.7 Ų68.722%0.21734%0.338CS..  trans-92.6167.3168.864.10000111.8N470 G471 H472S468-N470 PolarHBondContact O-N 3.36Å; S468-N470 PolarHBondContact OG-OD1 3.25Å; S468-G471 PolarHBondContact O-N 3.45Å; S468-H472 WeakPolarHBondContact CB-O 3.42Å; S468-H472 PolarHBondContact N-O 2.94Å; S468-H472 PolarHBondContact OG-N 3.29Å; S468-H472 PolarHBondContact OG-O 3.26Å
469L87Confident92.7Very high98 Ų9864.5 Ų64.551%0.51332%0.324SS..THydrogen-bonded Turntrans-52-31.6-174.4-77.8168.7000115.2N421 P423 G471N421-L469 VanDerWaalsContact C-CD2 3.41Å; N421-L469 WeakPolarHBondContact O-CD2 3.44Å; P423-L469 HydrophobicContact CB-CG 4.2Å; L469-G471 VanDerWaalsContact C-N 3.31Å
470N86Confident93.1Very high99 Ų9958.4 Ų58.453%0.52929%0.291SS..THydrogen-bonded Turntrans-9211.8179.864.64.8000113S468 H472S468-N470 PolarHBondContact O-N 3.36Å; S468-N470 PolarHBondContact OG-OD1 3.25Å; N470-H472 VanDerWaalsContact C-N 3.3Å; N470-H472 PolarHBondContact ND2-ND1 2.97Å; N470-H472 VanDerWaalsContact ND2-ND1 3.11Å; N470-H472 PolarHBondContact O-N 2.81Å; N470-H472 PolarHBondContact O-ND1 3.41Å; N470-H472 WeakPolarHBondContact OD1-CB 3.03Å; N470-H472 PolarHBondContact OD1-N 3.29Å; N470-H472 PolarHBondContact OD1-ND1 3.45Å
471G85.8Confident93.3Very high7 Ų757.3 Ų57.37%0.07229%0.289CS..SBendtrans84.5-8.2-178.900000115F99 S468 L469F99-G471 VanDerWaalsContact CE1-CA 3.43Å; F99-G471 VanDerWaalsContact CZ-CA 3.41Å; F99-G471 VanDerWaalsContact CZ-N 3.32Å; S468-G471 PolarHBondContact O-N 3.45Å; L469-G471 VanDerWaalsContact C-N 3.31Å
472H90Very high93.3Very high122 Ų12255.4 Ų55.457%0.56529%0.29SS*.  trans-69.9143.1-179.7-6766.4000110.6S468 N470S468-H472 WeakPolarHBondContact CB-O 3.42Å; S468-H472 PolarHBondContact N-O 2.94Å; S468-H472 PolarHBondContact OG-N 3.29Å; S468-H472 PolarHBondContact OG-O 3.26Å; N470-H472 VanDerWaalsContact C-N 3.3Å; N470-H472 PolarHBondContact ND2-ND1 2.97Å; N470-H472 VanDerWaalsContact ND2-ND1 3.11Å; N470-H472 PolarHBondContact O-N 2.81Å; N470-H472 PolarHBondContact O-ND1 3.41Å; N470-H472 WeakPolarHBondContact OD1-CB 3.03Å; N470-H472 PolarHBondContact OD1-N 3.29Å; N470-H472 PolarHBondContact OD1-ND1 3.45Å
473L92.6Very high93.3Very high46 Ų4657.3 Ų57.324%0.24130%0.3CS..EExtended strand (participates in β ladder)trans-96.1127.6-178.7-58.1175.6000110.1L92 M96 I412 R466 R467L92-L473 HydrophobicContact CB-CD1 3.9Å; L92-L473 HydrophobicContact CD2-CD1 3.56Å; L92-L473 HydrophobicContact CG-CD1 4.29Å; M96-L473 HydrophobicContact CG-CD1 4.05Å; M96-L473 HydrophobicContact CG-CG 4.46Å; M96-L473 HydrophobicContact SD-CD1 4.48Å; I412-L473 HydrophobicContact CD1-CD1 3.76Å; I412-L473 HydrophobicContact CD1-CD2 3.65Å; I412-L473 HydrophobicContact CD1-CG 4.34Å; R466-L473 CarbonylContact O-C 3.59Å; R466-L473 WeakPolarHBondContact O-CA 3.3Å; R467-L473 HydrophobicContact CB-CD2 4.01Å; R467-L473 HydrophobicContact CG-CD2 4.41Å
474T92.7Very high93.2Very high70 Ų7063 Ų6343%0.42932%0.324SS..EExtended strand (participates in β ladder)trans-112.1127.5178.655.20000110.3Y465 R466 T476Y465-T474 WeakPolarHBondContact CA-O 3.37Å; R466-T474 PolarHBondContact N-O 2.98Å; R466-T474 PolarHBondContact O-N 3.09Å; R466-T474 PolarHBondContact O-OG1 3.06Å; T474-T476 PolarHBondContact O-N 3.22Å
475K94.6Very high93.2Very high124 Ų12462.9 Ų62.954%0.53932%0.323SS..EExtended strand (participates in β ladder)trans-69.9123.3172.9-172178.5172.4170.90109.7T463 Y465T463-K475 HydrophobicContact CG2-CD 4.02Å; T463-K475 VanDerWaalsContact CG2-CE 3.47Å; T463-K475 HydrophobicContact CG2-CG 3.58Å; T463-K475 WeakPolarHBondContact OG1-CE 3.14Å; Y465-K475 HydrophobicContact CD1-CB 4.26Å; Y465-K475 HydrophobicContact CE1-CB 3.96Å; Y465-K475 HydrophobicContact CE1-CG 4.22Å
476T94Very high93Very high37 Ų3769 Ų6923%0.22735%0.346CS..EExtended strand (participates in β ladder)trans-119.9130.1-179.4-51.80000109.3E464 T474 I478E464-T476 PolarHBondContact N-O 3.49Å; E464-T476 WeakPolarHBondContact O-CA 3.47Å; E464-T476 WeakPolarHBondContact O-CB 3.46Å; E464-T476 PolarHBondContact O-N 2.82Å; T474-T476 PolarHBondContact O-N 3.22Å; T476-I478 HydrophobicContact CG2-CG1 4.28Å
477L96.3Very high92.9Very high105 Ų10572.9 Ų72.955%0.5536%0.361SS..EExtended strand (participates in β ladder)trans-94132.1172.8-63.5177.9000109.4Y461 I462 T463Y461-L477 HydrophobicContact CD1-CB 4Å; Y461-L477 HydrophobicContact CG-CB 4.39Å; I462-L477 WeakPolarHBondContact O-CA 3.28Å; T463-L477 WeakPolarHBondContact OG1-CD2 3.38Å
478I95.9Very high92.9Very high43 Ų4372.6 Ų72.622%0.22136%0.364CS..EExtended strand (participates in β ladder)trans-124.3121.4-178.7-55.2174.8000108Y461 I462 E464 R466 T476Y461-I478 CarbonylContact C-O 3.6Å; Y461-I478 VanDerWaalsContact CA-O 3.28Å; Y461-I478 WeakPolarHBondContact CA-O 3.33Å; I462-I478 HydrophobicContact CD1-CB 4.41Å; I462-I478 HydrophobicContact CG1-CB 3.89Å; I462-I478 PolarHBondContact N-O 3.16Å; I462-I478 PolarHBondContact O-N 2.91Å; E464-I478 HydrophobicContact CB-CD1 4.06Å; E464-I478 HydrophobicContact CG-CD1 3.67Å; E464-I478 WeakPolarHBondContact OE2-CD1 3.36Å; R466-I478 VanDerWaalsContact NH2-CD1 3.32Å; T476-I478 HydrophobicContact CG2-CG1 4.28Å
479S97.3Very high93.1Very high49 Ų4980.3 Ų80.334%0.34339%0.394SS..EExtended strand (participates in β ladder)trans-68.6137.5175.2173.70000110.4E460E460-S479 WeakPolarHBondContact O-CA 3.47Å
480V98Very high93.2Very high3 Ų377.8 Ų77.82%0.01838%0.383CS..  trans-119.8122.9177.5-176.50000108.8M405 N438 L442 M457 E460 I462M405-V480 HydrophobicContact CE-CG1 4.37Å; N438-V480 HydrophobicContact CB-CG1 3.81Å; N438-V480 HydrophobicContact CB-CG2 4.2Å; L442-V480 HydrophobicContact CB-CG1 4.21Å; L442-V480 HydrophobicContact CD2-CB 4.36Å; L442-V480 HydrophobicContact CD2-CG1 3.86Å; M457-V480 HydrophobicContact CE-CB 4.08Å; E460-V480 PolarHBondContact O-N 2.85Å; I462-V480 HydrophobicContact CB-CG2 4.41Å; I462-V480 HydrophobicContact CD1-CG2 4.12Å; I462-V480 HydrophobicContact CG1-CG2 3.85Å; I462-V480 HydrophobicContact CG2-CG2 3.86Å
481N96.9Very high93.4Very high99 Ų9974.5 Ų74.553%0.52937%0.366SS..  trans-103.4137175.2-66.8-64.2000109.9G439 L483G439-N481 WeakPolarHBondContact CA-O 3.41Å; N481-L483 PolarHBondContact O-N 3.47Å
482P97.4Very high93.6Very high66 Ų6677.3 Ų77.343%0.42938%0.378SS..  trans-65.6134.918024.8-32.5000111.3L442L442-P482 HydrophobicContact CD2-CB 4.13Å; L442-P482 HydrophobicContact CD2-CG 4.47Å; L442-P482 HydrophobicContact CG-CB 4.03Å
483L97.5Very high93.7Very high40 Ų4077 Ų7721%0.20938%0.375CS..  trans-128146.2177.1-60.5177.1000109.9V436 G439 L440 G443 N481 F502V436-L483 HydrophobicContact CB-CD1 4.44Å; V436-L483 HydrophobicContact CG1-CD1 4.39Å; V436-L483 HydrophobicContact CG2-CD1 4.47Å; G439-L483 PolarHBondContact O-N 3.17Å; L440-L483 WeakPolarHBondContact CA-O 3.49Å; L440-L483 HydrophobicContact CD2-CB 4.41Å; G443-L483 WeakPolarHBondContact CA-O 3.47Å; N481-L483 PolarHBondContact O-N 3.47Å; L483-F502 HydrophobicContact CD1-CD1 4.33Å; L483-F502 HydrophobicContact CD1-CE1 4.3Å; L483-F502 HydrophobicContact CD2-CE1 3.81Å; L483-F502 HydrophobicContact CD2-CZ 4.49Å
484K95.4Very high93.7Very high133 Ų13374.9 Ų74.958%0.57836%0.364SS*.  trans-140.3142.9169.760.3-178.6180-179.50109.3R486 Y634K484-R486 PolarHBondContact O-N 3.35Å; K484-Y634 HydrophobicContact CB-CD2 4.33Å; K484-Y634 HydrophobicContact CB-CE1 4.18Å; K484-Y634 HydrophobicContact CB-CE2 3.9Å; K484-Y634 HydrophobicContact CD-CE1 4.39Å
485P94.6Very high93.8Very high2 Ų271.9 Ų71.91%0.01335%0.345CS..PPolyproline II helixtrans-53.3136.7168.4-24.734.3000110.8L440 F498 L630 C631 Y634L440-P485 HydrophobicContact CD2-CG 4.18Å; P485-F498 HydrophobicContact CB-CD2 4.37Å; P485-F498 HydrophobicContact CG-CD2 4.35Å; P485-L630 HydrophobicContact CG-CB 3.81Å; P485-C631 VanDerWaalsContact CB-SG 3.55Å; P485-Y634 HydrophobicContact CG-CD2 4.27Å
486R92.1Very high93.8Very high173 Ų17367.5 Ų67.565%0.65333%0.327SS*.PPolyproline II helixtrans-69.3137.6-178.8-171.1178.4175.8166.50.6110.1K484 A488 S494K484-R486 PolarHBondContact O-N 3.35Å; R486-A488 PolarHBondContact O-N 2.91Å; R486-S494 VanDerWaalsContact O-CB 3.31Å; R486-S494 WeakPolarHBondContact O-CB 3.45Å; R486-S494 PolarHBondContact O-OG 2.86Å
487Y90.7Very high93.9Very high161 Ų16168 Ų6863%0.63133%0.333SS*.PPolyproline II helixtrans-56.7132.5167.9174.8-92.3000110.2N635Y487-N635 WeakPolarHBondContact CA-OD1 3.47Å
488A90.8Very high93.9Very high17 Ų1763.1 Ų63.114%0.1431%0.307CS..  trans-138.6169.6175.300000110.6R486 T490 F493 N635R486-A488 PolarHBondContact O-N 2.91Å; A488-T490 PolarHBondContact O-N 3.08Å; A488-T490 VanDerWaalsContact O-N 3.12Å; A488-F493 HydrophobicContact CB-CB 3.85Å; A488-N635 PolarHBondContact N-OD1 3.2Å; A488-N635 PolarHBondContact O-ND2 2.84Å; A488-N635 VanDerWaalsContact O-ND2 3.1Å
489K89.3Confident93.8Very high192 Ų19261.1 Ų61.184%0.83530%0.296SS*.SBendtrans-53.3-35.6-180-66.9-175.7179.2-178.20113.2F493K489-F493 HydrophobicContact CB-CD2 4.47Å
490T89Confident93.7Very high46 Ų4661 Ų6128%0.28230%0.295SS..SBendtrans-139.5157.7173.380.20000109.9A488 E492 F493 S494 N635A488-T490 PolarHBondContact O-N 3.08Å; A488-T490 VanDerWaalsContact O-N 3.12Å; T490-E492 WeakPolarHBondContact CB-OE2 3.48Å; T490-E492 PolarHBondContact O-N 2.75Å; T490-E492 PolarHBondContact OG1-N 3.42Å; T490-E492 PolarHBondContact OG1-OE2 3.06Å; T490-F493 HydrophobicContact CG2-CD2 4.06Å; T490-F493 HydrophobicContact CG2-CE2 4.41Å; T490-F493 PolarHBondContact O-N 2.69Å; T490-F493 VanDerWaalsContact O-N 3.13Å; T490-F493 VanDerWaalsContact OG1-CD2 3.27Å; T490-F493 WeakPolarHBondContact OG1-CD2 3.23Å; T490-F493 PolarHBondContact OG1-N 3.42Å; T490-S494 PolarHBondContact O-N 3.4Å; T490-S494 VanDerWaalsContact O-N 3.12Å; T490-N635 PolarHBondContact O-ND2 3.11Å
491P89.6Confident93.6Very high29 Ų2965.9 Ų65.919%0.18832%0.318CS..Hα-helixtrans-57-32.7176.3-25.635.8000112.9S494 F495 P632 N635P491-S494 WeakPolarHBondContact O-CB 3.42Å; P491-S494 PolarHBondContact O-N 2.81Å; P491-F495 WeakPolarHBondContact O-CB 3.36Å; P491-F495 PolarHBondContact O-N 2.8Å; P491-P632 HydrophobicContact CB-CB 4.17Å; P491-P632 HydrophobicContact CB-CG 3.82Å; P491-P632 HydrophobicContact CG-CB 4.15Å; P491-P632 HydrophobicContact CG-CG 4.32Å; P491-N635 WeakPolarHBondContact CA-ND2 3.36Å; P491-N635 HydrophobicContact CG-CB 4.34Å
492E91Very high93.5Very high67 Ų6762.8 Ų62.831%0.31330%0.3SS..Hα-helixtrans-63.9-42.5176.3-62.177.4-164.600112.2T490 S494 F495 L496 F650T490-E492 WeakPolarHBondContact CB-OE2 3.48Å; T490-E492 PolarHBondContact O-N 2.75Å; T490-E492 PolarHBondContact OG1-N 3.42Å; T490-E492 PolarHBondContact OG1-OE2 3.06Å; E492-S494 VanDerWaalsContact C-N 3.33Å; E492-F495 WeakPolarHBondContact O-CB 3.4Å; E492-F495 PolarHBondContact O-N 3.04Å; E492-L496 WeakPolarHBondContact O-CG 3.36Å; E492-L496 PolarHBondContact O-N 2.79Å; E492-F650 HydrophobicContact CB-CE2 3.71Å; E492-F650 HydrophobicContact CB-CZ 3.79Å; E492-F650 HydrophobicContact CG-CE2 4.13Å; E492-F650 HydrophobicContact CG-CZ 4.22Å
493F92.2Very high93.4Very high115 Ų11560 Ų6050%0.50428%0.281SS..Hα-helixtrans-67.8-34.9174.8-76.5-66.1000112.1A488 K489 T490 F495 S497A488-F493 HydrophobicContact CB-CB 3.85Å; K489-F493 HydrophobicContact CB-CD2 4.47Å; T490-F493 HydrophobicContact CG2-CD2 4.06Å; T490-F493 HydrophobicContact CG2-CE2 4.41Å; T490-F493 PolarHBondContact O-N 2.69Å; T490-F493 VanDerWaalsContact O-N 3.13Å; T490-F493 VanDerWaalsContact OG1-CD2 3.27Å; T490-F493 WeakPolarHBondContact OG1-CD2 3.23Å; T490-F493 PolarHBondContact OG1-N 3.42Å; F493-F495 VanDerWaalsContact C-N 3.33Å; F493-S497 WeakPolarHBondContact O-CB 3.48Å; F493-S497 PolarHBondContact O-N 3.3Å; F493-S497 PolarHBondContact O-OG 3.37Å
494S93.5Very high93.3Very high1 Ų163.2 Ų63.21%0.00730%0.299CS..Hα-helixtrans-61.5-46173.3-179.20000109.9R486 T490 P491 E492 S497 F498 C631R486-S494 VanDerWaalsContact O-CB 3.31Å; R486-S494 WeakPolarHBondContact O-CB 3.45Å; R486-S494 PolarHBondContact O-OG 2.86Å; T490-S494 PolarHBondContact O-N 3.4Å; T490-S494 VanDerWaalsContact O-N 3.12Å; P491-S494 WeakPolarHBondContact O-CB 3.42Å; P491-S494 PolarHBondContact O-N 2.81Å; E492-S494 VanDerWaalsContact C-N 3.33Å; S494-S497 PolarHBondContact O-N 3.31Å; S494-F498 WeakPolarHBondContact O-CB 3.29Å; S494-F498 PolarHBondContact O-N 3.04Å; S494-C631 PolarHBondContact OG-SG 3.34Å; S494-C631 VanDerWaalsContact OG-SG 3.34Å
495F94.1Very high93.3Very high8 Ų856.9 Ų56.94%0.03527%0.272CS..Hα-helixtrans-59.7-49.2177.6-174-81.4000112.5P491 E492 F493 S497 F498 F499 L507 V624 I627 E628 N648 F650 I651P491-F495 WeakPolarHBondContact O-CB 3.36Å; P491-F495 PolarHBondContact O-N 2.8Å; E492-F495 WeakPolarHBondContact O-CB 3.4Å; E492-F495 PolarHBondContact O-N 3.04Å; F493-F495 VanDerWaalsContact C-N 3.33Å; F495-S497 PolarHBondContact O-N 2.76Å; F495-F498 WeakPolarHBondContact O-CB 3.35Å; F495-F498 PolarHBondContact O-N 2.9Å; F495-F499 HydrophobicContact CD1-CD2 4.22Å; F495-F499 HydrophobicContact CD1-CE2 4.26Å; F495-F499 AromaticContact CE1-CD2 3.77Å; F495-F499 HydrophobicContact CE1-CD2 3.77Å; F495-F499 AromaticContact CE1-CE2 3.44Å; F495-F499 HydrophobicContact CE1-CE2 3.44Å; F495-F499 VanDerWaalsContact CE1-CE2 3.44Å; F495-F499 HydrophobicContact CE1-CZ 4.39Å; F495-F499 HydrophobicContact CE2-CE2 4.14Å; F495-F499 HydrophobicContact CZ-CD2 4.09Å; F495-F499 AromaticContact CZ-CE2 3.33Å; F495-F499 HydrophobicContact CZ-CE2 3.33Å; F495-F499 HydrophobicContact CZ-CZ 4.16Å; F495-F499 PolarHBondContact O-N 2.89Å; F495-L507 HydrophobicContact CD1-CD1 4.07Å; F495-L507 HydrophobicContact CE1-CD1 3.56Å; F495-V624 HydrophobicContact CE2-CG1 4.44Å; F495-V624 HydrophobicContact CZ-CG1 4.32Å; F495-I627 HydrophobicContact CD2-CD1 3.98Å; F495-I627 HydrophobicContact CD2-CG1 3.86Å; F495-I627 HydrophobicContact CE2-CD1 3.5Å; F495-I627 HydrophobicContact CE2-CG1 3.5Å; F495-I627 HydrophobicContact CZ-CD1 3.98Å; F495-I627 HydrophobicContact CZ-CG1 4.41Å; F495-E628 HydrophobicContact CD2-CG 4.46Å; F495-E628 HydrophobicContact CE2-CG 3.96Å; F495-N648 WeakPolarHBondContact CE1-ND2 3.42Å; F495-N648 VanDerWaalsContact CE2-ND2 3.25Å; F495-N648 WeakPolarHBondContact CE2-ND2 3.28Å; F495-N648 WeakPolarHBondContact CZ-ND2 3.26Å; F495-F650 AromaticContact CD1-CD2 3.82Å; F495-F650 HydrophobicContact CD1-CD2 3.82Å; F495-F650 HydrophobicContact CD1-CE2 4.5Å; F495-F650 HydrophobicContact CE1-CD2 4.27Å; F495-I651 HydrophobicContact CE1-CG2 3.94Å; F495-I651 HydrophobicContact CZ-CG2 3.7Å
496L94.6Very high93.4Very high31 Ų3162 Ų6216%0.16230%0.299CS..Hα-helixtrans-61.8-44.2177.2-67.9172.2000111.9E492 F498 F499 S500 L507 F650E492-L496 WeakPolarHBondContact O-CG 3.36Å; E492-L496 PolarHBondContact O-N 2.79Å; L496-F498 VanDerWaalsContact C-N 3.29Å; L496-F498 PolarHBondContact O-N 3.13Å; L496-F499 PolarHBondContact O-N 3.03Å; L496-S500 PolarHBondContact O-N 3.08Å; L496-L507 HydrophobicContact CD2-CB 3.71Å; L496-L507 HydrophobicContact CD2-CD1 4.08Å; L496-L507 HydrophobicContact CD2-CG 4.39Å; L496-F650 HydrophobicContact CD1-CE1 4.25Å; L496-F650 HydrophobicContact CD1-CE2 4.25Å; L496-F650 HydrophobicContact CD1-CZ 3.92Å; L496-F650 HydrophobicContact CD2-CB 4.47Å; L496-F650 HydrophobicContact CD2-CD1 4.08Å; L496-F650 HydrophobicContact CD2-CD2 3.88Å; L496-F650 HydrophobicContact CD2-CE1 4.27Å; L496-F650 HydrophobicContact CD2-CE2 4.08Å; L496-F650 HydrophobicContact CD2-CG 3.87Å; L496-F650 HydrophobicContact CD2-CZ 4.26Å; L496-F650 HydrophobicContact CG-CD2 4.19Å; L496-F650 HydrophobicContact CG-CE2 3.91Å; L496-F650 HydrophobicContact CG-CZ 4.09Å
497S95Very high93.5Very high49 Ų4954.7 Ų54.734%0.34327%0.272SS..Hα-helixtrans-63.8-37.5179.3-55.60000111.4F493 S494 F495 F499 S500 E501F493-S497 WeakPolarHBondContact O-CB 3.48Å; F493-S497 PolarHBondContact O-N 3.3Å; F493-S497 PolarHBondContact O-OG 3.37Å; S494-S497 PolarHBondContact O-N 3.31Å; F495-S497 PolarHBondContact O-N 2.76Å; S497-F499 PolarHBondContact O-N 2.85Å; S497-S500 WeakPolarHBondContact O-CB 3.32Å; S497-S500 PolarHBondContact O-N 3Å; S497-E501 VanDerWaalsContact O-CB 3.3Å; S497-E501 WeakPolarHBondContact O-CB 3.37Å; S497-E501 PolarHBondContact O-N 3.35Å
498F96.1Very high93.7Very high2 Ų248.3 Ų48.31%0.00925%0.249CC..Hα-helixtrans-58.4-46.5177.6-179-86.5000112.2V436 L440 P485 S494 F495 L496 S500 E501 F502 L623 I627V436-F498 HydrophobicContact CG1-CE1 4.33Å; V436-F498 HydrophobicContact CG1-CE2 4.45Å; V436-F498 HydrophobicContact CG1-CZ 3.57Å; L440-F498 HydrophobicContact CD1-CE2 4.25Å; L440-F498 HydrophobicContact CD1-CZ 3.87Å; L440-F498 HydrophobicContact CD2-CE2 3.94Å; L440-F498 HydrophobicContact CD2-CZ 4.39Å; L440-F498 HydrophobicContact CG-CE2 4.45Å; L440-F498 HydrophobicContact CG-CZ 4.45Å; P485-F498 HydrophobicContact CB-CD2 4.37Å; P485-F498 HydrophobicContact CG-CD2 4.35Å; S494-F498 WeakPolarHBondContact O-CB 3.29Å; S494-F498 PolarHBondContact O-N 3.04Å; F495-F498 WeakPolarHBondContact O-CB 3.35Å; F495-F498 PolarHBondContact O-N 2.9Å; L496-F498 VanDerWaalsContact C-N 3.29Å; L496-F498 PolarHBondContact O-N 3.13Å; F498-S500 VanDerWaalsContact C-N 3.33Å; F498-S500 PolarHBondContact O-N 2.91Å; F498-E501 PolarHBondContact O-N 3.14Å; F498-F502 HydrophobicContact CD1-CD2 4.43Å; F498-F502 AromaticContact CD2-CD2 3.31Å; F498-F502 HydrophobicContact CD2-CD2 3.31Å; F498-F502 AromaticContact CD2-CE2 3.61Å; F498-F502 HydrophobicContact CD2-CE2 3.61Å; F498-F502 HydrophobicContact CD2-CG 4.35Å; F498-F502 HydrophobicContact CE1-CB 4.45Å; F498-F502 HydrophobicContact CE1-CD2 4.47Å; F498-F502 HydrophobicContact CE2-CB 4.48Å; F498-F502 AromaticContact CE2-CD2 3.36Å; F498-F502 HydrophobicContact CE2-CD2 3.36Å; F498-F502 AromaticContact CE2-CE2 3.79Å; F498-F502 HydrophobicContact CE2-CE2 3.79Å; F498-F502 HydrophobicContact CE2-CG 4.03Å; F498-F502 AromaticContact CG-CD2 3.87Å; F498-F502 HydrophobicContact CG-CD2 3.87Å; F498-F502 HydrophobicContact CG-CE2 4.47Å; F498-F502 HydrophobicContact CZ-CB 4.27Å; F498-F502 AromaticContact CZ-CD2 3.98Å; F498-F502 HydrophobicContact CZ-CD2 3.98Å; F498-F502 HydrophobicContact CZ-CG 4.28Å; F498-F502 WeakPolarHBondContact O-CD2 3.43Å; F498-F502 PolarHBondContact O-N 2.84Å; F498-L623 HydrophobicContact CE1-CD1 4.04Å; F498-L623 HydrophobicContact CE1-CD2 4.39Å; F498-L623 HydrophobicContact CE1-CG 4.44Å; F498-L623 HydrophobicContact CZ-CD1 4.11Å; F498-I627 HydrophobicContact CD1-CD1 3.72Å; F498-I627 HydrophobicContact CD1-CG2 4.15Å; F498-I627 HydrophobicContact CD2-CG2 4.48Å; F498-I627 HydrophobicContact CE1-CD1 3.96Å; F498-I627 HydrophobicContact CE1-CG2 3.77Å; F498-I627 HydrophobicContact CE2-CG2 4.14Å; F498-I627 HydrophobicContact CG-CG2 4.5Å; F498-I627 HydrophobicContact CZ-CG2 3.77Å
499F95.2Very high93.8Very high0 Ų053.6 Ų53.60%027%0.269CS..Iπ-helixtrans-62.1-41.6176.6-91-97.9000112.4F495 L496 S497 L503 N504 V505 L507 I521 L620 V624 I627 I651F495-F499 HydrophobicContact CD1-CD2 4.22Å; F495-F499 HydrophobicContact CD1-CE2 4.26Å; F495-F499 AromaticContact CE1-CD2 3.77Å; F495-F499 HydrophobicContact CE1-CD2 3.77Å; F495-F499 AromaticContact CE1-CE2 3.44Å; F495-F499 HydrophobicContact CE1-CE2 3.44Å; F495-F499 VanDerWaalsContact CE1-CE2 3.44Å; F495-F499 HydrophobicContact CE1-CZ 4.39Å; F495-F499 HydrophobicContact CE2-CE2 4.14Å; F495-F499 HydrophobicContact CZ-CD2 4.09Å; F495-F499 AromaticContact CZ-CE2 3.33Å; F495-F499 HydrophobicContact CZ-CE2 3.33Å; F495-F499 HydrophobicContact CZ-CZ 4.16Å; F495-F499 PolarHBondContact O-N 2.89Å; L496-F499 PolarHBondContact O-N 3.03Å; S497-F499 PolarHBondContact O-N 2.85Å; F499-L503 HydrophobicContact CD1-CD1 3.64Å; F499-L503 HydrophobicContact CE1-CD1 3.66Å; F499-L503 HydrophobicContact CG-CD1 4.32Å; F499-L503 HydrophobicContact CZ-CD1 4.36Å; F499-L503 CarbonylContact O-C 3.18Å; F499-L503 WeakPolarHBondContact O-CA 3.38Å; F499-L503 WeakPolarHBondContact O-CB 3.5Å; F499-L503 PolarHBondContact O-N 3.25Å; F499-L503 VanDerWaalsContact O-N 3.1Å; F499-N504 PolarHBondContact O-N 2.78Å; F499-N504 VanDerWaalsContact O-N 3.08Å; F499-V505 CarbonylContact C-O 3.51Å; F499-V505 WeakPolarHBondContact CB-O 3.42Å; F499-V505 PolarHBondContact O-N 3.31Å; F499-L507 HydrophobicContact CB-CD1 4.16Å; F499-L507 HydrophobicContact CB-CG 4Å; F499-L507 HydrophobicContact CD1-CD1 4.13Å; F499-L507 HydrophobicContact CD1-CD2 3.84Å; F499-L507 HydrophobicContact CD1-CG 4.09Å; F499-L507 HydrophobicContact CD2-CD1 3.65Å; F499-L507 HydrophobicContact CD2-CG 4.35Å; F499-L507 HydrophobicContact CE1-CD1 4.47Å; F499-L507 HydrophobicContact CE1-CD2 4.19Å; F499-L507 HydrophobicContact CE2-CD1 4.03Å; F499-L507 HydrophobicContact CG-CD1 3.71Å; F499-L507 HydrophobicContact CG-CD2 4.17Å; F499-L507 HydrophobicContact CG-CG 3.89Å; F499-L507 HydrophobicContact CZ-CD1 4.42Å; F499-I521 HydrophobicContact CE1-CG2 4.26Å; F499-L620 HydrophobicContact CE1-CD1 4.44Å; F499-V624 HydrophobicContact CE2-CG2 4.39Å; F499-V624 HydrophobicContact CZ-CG2 3.8Å; F499-I627 HydrophobicContact CD2-CD1 4.24Å; F499-I627 HydrophobicContact CE2-CD1 3.57Å; F499-I627 HydrophobicContact CZ-CD1 4.36Å; F499-I651 HydrophobicContact CE1-CD1 4.45Å; F499-I651 HydrophobicContact CZ-CD1 4.31Å
500S95.4Very high94Very high46 Ų4650.1 Ų50.132%0.32226%0.26SS..Iπ-helixtrans-63.5-48.6177.7-166.90000111.1L496 S497 F498 N504 V505 N506L496-S500 PolarHBondContact O-N 3.08Å; S497-S500 WeakPolarHBondContact O-CB 3.32Å; S497-S500 PolarHBondContact O-N 3Å; F498-S500 VanDerWaalsContact C-N 3.33Å; F498-S500 PolarHBondContact O-N 2.91Å; S500-N504 WeakPolarHBondContact O-CA 3.47Å; S500-N504 PolarHBondContact O-N 3.22Å; S500-V505 WeakPolarHBondContact CA-O 3.4Å; S500-V505 PolarHBondContact N-O 2.84Å; S500-N506 VanDerWaalsContact CB-OD1 3.3Å; S500-N506 WeakPolarHBondContact CB-OD1 3.32Å; S500-N506 PolarHBondContact OG-OD1 3.2Å
501E95.2Very high94.3Very high107 Ų10749 Ų4950%0.525%0.251SS..Iπ-helixtrans-71.3-50.1-174.2-175.6175.1173.400112.9S497 F498S497-E501 VanDerWaalsContact O-CB 3.3Å; S497-E501 WeakPolarHBondContact O-CB 3.37Å; S497-E501 PolarHBondContact O-N 3.35Å; F498-E501 PolarHBondContact O-N 3.14Å
502F95.7Very high94.6Very high34 Ų3452.9 Ų52.915%0.14927%0.265CS..Iπ-helixtrans-96.1-28.8-169.9-63-73.5000113.4K432 V436 L483 F498K432-F502 VanDerWaalsContact CE-O 3.31Å; K432-F502 WeakPolarHBondContact CE-O 3.36Å; V436-F502 HydrophobicContact CG1-CB 4.45Å; V436-F502 HydrophobicContact CG2-CB 4.23Å; L483-F502 HydrophobicContact CD1-CD1 4.33Å; L483-F502 HydrophobicContact CD1-CE1 4.3Å; L483-F502 HydrophobicContact CD2-CE1 3.81Å; L483-F502 HydrophobicContact CD2-CZ 4.49Å; F498-F502 HydrophobicContact CD1-CD2 4.43Å; F498-F502 AromaticContact CD2-CD2 3.31Å; F498-F502 HydrophobicContact CD2-CD2 3.31Å; F498-F502 AromaticContact CD2-CE2 3.61Å; F498-F502 HydrophobicContact CD2-CE2 3.61Å; F498-F502 HydrophobicContact CD2-CG 4.35Å; F498-F502 HydrophobicContact CE1-CB 4.45Å; F498-F502 HydrophobicContact CE1-CD2 4.47Å; F498-F502 HydrophobicContact CE2-CB 4.48Å; F498-F502 AromaticContact CE2-CD2 3.36Å; F498-F502 HydrophobicContact CE2-CD2 3.36Å; F498-F502 AromaticContact CE2-CE2 3.79Å; F498-F502 HydrophobicContact CE2-CE2 3.79Å; F498-F502 HydrophobicContact CE2-CG 4.03Å; F498-F502 AromaticContact CG-CD2 3.87Å; F498-F502 HydrophobicContact CG-CD2 3.87Å; F498-F502 HydrophobicContact CG-CE2 4.47Å; F498-F502 HydrophobicContact CZ-CB 4.27Å; F498-F502 AromaticContact CZ-CD2 3.98Å; F498-F502 HydrophobicContact CZ-CD2 3.98Å; F498-F502 HydrophobicContact CZ-CG 4.28Å; F498-F502 WeakPolarHBondContact O-CD2 3.43Å; F498-F502 PolarHBondContact O-N 2.84Å
503L94.6Very high94.8Very high7 Ų751.9 Ų51.94%0.03726%0.264CS..Iπ-helixtrans-107.5-8.7-178.9-59.1-179.6000113.4F499 V505 L525 L623F499-L503 HydrophobicContact CD1-CD1 3.64Å; F499-L503 HydrophobicContact CE1-CD1 3.66Å; F499-L503 HydrophobicContact CG-CD1 4.32Å; F499-L503 HydrophobicContact CZ-CD1 4.36Å; F499-L503 CarbonylContact O-C 3.18Å; F499-L503 WeakPolarHBondContact O-CA 3.38Å; F499-L503 WeakPolarHBondContact O-CB 3.5Å; F499-L503 PolarHBondContact O-N 3.25Å; F499-L503 VanDerWaalsContact O-N 3.1Å; L503-V505 VanDerWaalsContact C-N 3.28Å; L503-V505 PolarHBondContact O-N 3.19Å; L503-L525 HydrophobicContact CB-CD2 4.29Å; L503-L525 HydrophobicContact CD1-CD1 4.16Å; L503-L623 HydrophobicContact CD1-CD2 3.81Å; L503-L623 HydrophobicContact CD2-CD2 4.28Å; L503-L623 HydrophobicContact CG-CD2 4.47Å
504N95.2Very high95Very high107 Ų10746.8 Ų46.857%0.57224%0.242SC*.  trans54.944.4-175.3-166.138.8000111.9F499 S500 R528F499-N504 PolarHBondContact O-N 2.78Å; F499-N504 VanDerWaalsContact O-N 3.08Å; S500-N504 WeakPolarHBondContact O-CA 3.47Å; S500-N504 PolarHBondContact O-N 3.22Å; N504-R528 PolarHBondContact O-NH1 3.14Å
505V95.7Very high95.1Very high1 Ų149 Ų491%0.00625%0.253CS..  trans-134.6125178.4176.50000109.3F499 S500 L503 L507 I521 V524 L525 L721F499-V505 CarbonylContact C-O 3.51Å; F499-V505 WeakPolarHBondContact CB-O 3.42Å; F499-V505 PolarHBondContact O-N 3.31Å; S500-V505 WeakPolarHBondContact CA-O 3.4Å; S500-V505 PolarHBondContact N-O 2.84Å; L503-V505 VanDerWaalsContact C-N 3.28Å; L503-V505 PolarHBondContact O-N 3.19Å; V505-L507 HydrophobicContact CG1-CD2 4.44Å; V505-I521 HydrophobicContact CG1-CG1 4.26Å; V505-V524 HydrophobicContact CG2-CG1 4.37Å; V505-L525 HydrophobicContact CG2-CD2 3.89Å; V505-L721 HydrophobicContact CG1-CD1 4.45Å; V505-L721 HydrophobicContact CG1-CD2 4.03Å
506N95.6Very high95.3Very high109 Ų10948.7 Ų48.758%0.58325%0.251SS*.  trans-94.6103.9175.9-66.1-45.9000109.8S500 D508 L721S500-N506 VanDerWaalsContact CB-OD1 3.3Å; S500-N506 WeakPolarHBondContact CB-OD1 3.32Å; S500-N506 PolarHBondContact OG-OD1 3.2Å; N506-D508 PolarHBondContact O-N 2.99Å; N506-L721 WeakPolarHBondContact O-CD2 3.45Å
507L95.2Very high95.5Very high19 Ų1947.2 Ų47.210%0.09924%0.244CC..  trans-61135.6177.2-58.8-178.9000111.1F495 L496 F499 V505 K509 I521 F650F495-L507 HydrophobicContact CD1-CD1 4.07Å; F495-L507 HydrophobicContact CE1-CD1 3.56Å; L496-L507 HydrophobicContact CD2-CB 3.71Å; L496-L507 HydrophobicContact CD2-CD1 4.08Å; L496-L507 HydrophobicContact CD2-CG 4.39Å; F499-L507 HydrophobicContact CB-CD1 4.16Å; F499-L507 HydrophobicContact CB-CG 4Å; F499-L507 HydrophobicContact CD1-CD1 4.13Å; F499-L507 HydrophobicContact CD1-CD2 3.84Å; F499-L507 HydrophobicContact CD1-CG 4.09Å; F499-L507 HydrophobicContact CD2-CD1 3.65Å; F499-L507 HydrophobicContact CD2-CG 4.35Å; F499-L507 HydrophobicContact CE1-CD1 4.47Å; F499-L507 HydrophobicContact CE1-CD2 4.19Å; F499-L507 HydrophobicContact CE2-CD1 4.03Å; F499-L507 HydrophobicContact CG-CD1 3.71Å; F499-L507 HydrophobicContact CG-CD2 4.17Å; F499-L507 HydrophobicContact CG-CG 3.89Å; F499-L507 HydrophobicContact CZ-CD1 4.42Å; V505-L507 HydrophobicContact CG1-CD2 4.44Å; L507-K509 PolarHBondContact O-N 2.92Å; L507-I521 HydrophobicContact CD2-CD1 3.13Å; L507-I521 HydrophobicContact CD2-CG1 4.07Å; L507-F650 HydrophobicContact CD1-CB 4.2Å
508D94.9Very high95.6Very high28 Ų2845 Ų4515%0.1523%0.228CC..  trans-81.1103.3171.5-171-24000109.2N506 D510 F511 Q517 L717 K720N506-D508 PolarHBondContact O-N 2.99Å; D508-D510 PolarHBondContact O-N 3.35Å; D508-D510 PolarHBondContact OD1-N 2.8Å; D508-D510 VanDerWaalsContact OD1-N 3.08Å; D508-F511 HydrophobicContact CB-CB 3.69Å; D508-F511 PolarHBondContact O-N 3.29Å; D508-F511 PolarHBondContact OD1-N 3.3Å; D508-Q517 PolarHBondContact O-NE2 3.36Å; D508-Q517 PolarHBondContact O-OE1 2.93Å; D508-L717 HydrophobicContact CB-CD1 4.24Å; D508-K720 IonicContact OD2-NZ 3.84Å; D508-K720 PolarHBondContact OD2-NZ 3.29Å
509K92.3Very high95.7Very high127 Ų12745 Ų4555%0.55223%0.228SC*.THydrogen-bonded Turntrans-59.8-27.3-17765.5175.8-170.8176.40113.9L507 F650L507-K509 PolarHBondContact O-N 2.92Å; K509-F650 HydrophobicContact CB-CD1 4.1Å; K509-F650 HydrophobicContact CB-CE1 3.89Å
510D94.1Very high95.9Very high120 Ų12045 Ų4564%0.64223%0.228SC*.THydrogen-bonded Turntrans-101.5-5.3-174-59.5-46.4000111.6D508 K512D508-D510 PolarHBondContact O-N 3.35Å; D508-D510 PolarHBondContact OD1-N 2.8Å; D508-D510 VanDerWaalsContact OD1-N 3.08Å; D510-K512 PolarHBondContact O-N 3.49Å
511F96.1Very high96Very high23 Ų2342.8 Ų42.810%0.10121%0.213CC..  trans-70.1130.4-177-169.2-86.2000112.3D508 P513 M516 Q517 K713 L717D508-F511 HydrophobicContact CB-CB 3.69Å; D508-F511 PolarHBondContact O-N 3.29Å; D508-F511 PolarHBondContact OD1-N 3.3Å; F511-P513 WeakPolarHBondContact CD1-O 3.3Å; F511-P513 WeakPolarHBondContact CE1-O 3.31Å; F511-M516 HydrophobicContact CE1-CB 4.04Å; F511-M516 HydrophobicContact CE1-CG 4.04Å; F511-M516 HydrophobicContact CE1-SD 3.96Å; F511-M516 HydrophobicContact CZ-CG 4.18Å; F511-M516 HydrophobicContact CZ-SD 3.66Å; F511-Q517 HydrophobicContact CD1-CB 3.92Å; F511-Q517 HydrophobicContact CE1-CB 4.41Å; F511-K713 HydrophobicContact CE2-CG 4.07Å; F511-K713 HydrophobicContact CZ-CD 4.33Å; F511-K713 HydrophobicContact CZ-CG 4Å; F511-L717 HydrophobicContact CD1-CD2 3.87Å; F511-L717 HydrophobicContact CD2-CB 4.48Å; F511-L717 HydrophobicContact CD2-CD1 4.01Å; F511-L717 HydrophobicContact CD2-CD2 3.99Å; F511-L717 HydrophobicContact CD2-CG 4.38Å; F511-L717 HydrophobicContact CE1-CD2 3.64Å; F511-L717 HydrophobicContact CE2-CB 3.84Å; F511-L717 HydrophobicContact CE2-CD1 4.22Å; F511-L717 HydrophobicContact CE2-CD2 3.77Å; F511-L717 HydrophobicContact CE2-CG 4.14Å; F511-L717 HydrophobicContact CG-CD1 4.44Å; F511-L717 HydrophobicContact CG-CD2 4.03Å; F511-L717 HydrophobicContact CZ-CB 4.11Å; F511-L717 HydrophobicContact CZ-CD2 3.58Å; F511-L717 HydrophobicContact CZ-CG 4.35Å
512K94.9Very high96.2Very high110 Ų11037.9 Ų37.948%0.47819%0.19SC..SBendtrans-131.2146.8170.6-60.5-62175.4-1630110D510 V514 P649 K713D510-K512 PolarHBondContact O-N 3.49Å; K512-V514 HydrophobicContact CD-CG1 3.8Å; K512-P649 PolarHBondContact NZ-O 3.49Å; K512-K713 WeakPolarHBondContact O-CE 3.41Å; K512-K713 PolarHBondContact O-NZ 3.28Å
513P95.4Very high96.3Very high46 Ų4636.2 Ų36.230%0.29918%0.183SC..SBendcis-73.6150.2-3.730.3-32.9000111.8F511 E515 M516 Q517F511-P513 WeakPolarHBondContact CD1-O 3.3Å; F511-P513 WeakPolarHBondContact CE1-O 3.31Å; P513-E515 VanDerWaalsContact C-N 3.27Å; P513-E515 PolarHBondContact O-N 3.06Å; P513-M516 HydrophobicContact CG-CB 3.84Å; P513-M516 HydrophobicContact CG-CE 4.2Å; P513-M516 PolarHBondContact O-N 3.15Å; P513-Q517 PolarHBondContact O-N 3.43Å
514V95.9Very high96.5Very high7 Ų735.9 Ų35.94%0.04218%0.181CC..Hα-helixtrans-72.8-22.8-174.8-67.90000112.6K512 Q517 G518 P649 R652K512-V514 HydrophobicContact CD-CG1 3.8Å; V514-Q517 WeakPolarHBondContact O-CB 3.32Å; V514-Q517 PolarHBondContact O-N 2.77Å; V514-G518 PolarHBondContact O-N 3.38Å; V514-G518 VanDerWaalsContact O-N 3.09Å; V514-P649 WeakPolarHBondContact CG1-O 3.41Å; V514-R652 HydrophobicContact CB-CG 4.48Å; V514-R652 HydrophobicContact CG2-CB 3.86Å; V514-R652 HydrophobicContact CG2-CG 3.67Å; V514-R652 PolarHBondContact O-N 2.99Å
515E96.9Very high96.6Very high49 Ų4931.4 Ų31.423%0.22916%0.157CC..Hα-helixtrans-67.2-37.6174.4-63.775-167.700111.3P513 Q517 G518 L519 R652 Y654P513-E515 VanDerWaalsContact C-N 3.27Å; P513-E515 PolarHBondContact O-N 3.06Å; E515-Q517 VanDerWaalsContact C-N 3.34Å; E515-G518 PolarHBondContact O-N 2.85Å; E515-L519 PolarHBondContact O-N 3.02Å; E515-R652 WeakPolarHBondContact CA-O 3.29Å; E515-R652 HydrophobicContact CG-CB 3.97Å; E515-R652 WeakPolarHBondContact OE1-CD 3.2Å; E515-R652 IonicContact OE1-NH1 3.26Å; E515-Y654 HydrophobicContact CB-CD1 4.05Å; E515-Y654 HydrophobicContact CB-CD2 4.05Å; E515-Y654 HydrophobicContact CB-CE1 3.77Å; E515-Y654 HydrophobicContact CB-CE2 3.79Å; E515-Y654 HydrophobicContact CB-CG 4.18Å; E515-Y654 HydrophobicContact CG-CE1 4.49Å; E515-Y654 WeakPolarHBondContact O-CE2 3.32Å
516M97.9Very high96.7Very high1 Ų131.4 Ų31.41%0.00516%0.157CC..Hα-helixtrans-69.8-33.3174.7-179.2-172.3-6600111.4F511 P513 G518 L519 A520 I554 D710 K713 L714F511-M516 HydrophobicContact CE1-CB 4.04Å; F511-M516 HydrophobicContact CE1-CG 4.04Å; F511-M516 HydrophobicContact CE1-SD 3.96Å; F511-M516 HydrophobicContact CZ-CG 4.18Å; F511-M516 HydrophobicContact CZ-SD 3.66Å; P513-M516 HydrophobicContact CG-CB 3.84Å; P513-M516 HydrophobicContact CG-CE 4.2Å; P513-M516 PolarHBondContact O-N 3.15Å; M516-G518 VanDerWaalsContact C-N 3.35Å; M516-L519 PolarHBondContact O-N 2.71Å; M516-A520 PolarHBondContact O-N 3.18Å; M516-I554 HydrophobicContact CE-CD1 4.09Å; M516-D710 HydrophobicContact CE-CB 3.72Å; M516-K713 HydrophobicContact SD-CB 4.41Å; M516-K713 HydrophobicContact SD-CD 4.27Å; M516-K713 HydrophobicContact SD-CG 4.15Å; M516-L714 HydrophobicContact CG-CB 4.06Å; M516-L714 HydrophobicContact CG-CD1 3.77Å; M516-L714 HydrophobicContact CG-CG 4.47Å; M516-L714 HydrophobicContact SD-CB 4.04Å
517Q97.8Very high96.8Very high0 Ų027.1 Ų27.10%013%0.133CC..Hα-helixtrans-62.7-42.2169.3174.7147.8-117.700111.2D508 F511 P513 V514 E515 L519 A520 I521 F650 L717D508-Q517 PolarHBondContact O-NE2 3.36Å; D508-Q517 PolarHBondContact O-OE1 2.93Å; F511-Q517 HydrophobicContact CD1-CB 3.92Å; F511-Q517 HydrophobicContact CE1-CB 4.41Å; P513-Q517 PolarHBondContact O-N 3.43Å; V514-Q517 WeakPolarHBondContact O-CB 3.32Å; V514-Q517 PolarHBondContact O-N 2.77Å; E515-Q517 VanDerWaalsContact C-N 3.34Å; Q517-L519 PolarHBondContact O-N 3.48Å; Q517-A520 PolarHBondContact O-N 3.07Å; Q517-I521 HydrophobicContact CG-CD1 3.62Å; Q517-I521 HydrophobicContact CG-CG1 4.44Å; Q517-I521 VanDerWaalsContact O-CD1 3.25Å; Q517-I521 WeakPolarHBondContact O-CD1 3.41Å; Q517-I521 VanDerWaalsContact O-CG1 3.23Å; Q517-I521 WeakPolarHBondContact O-CG1 3.38Å; Q517-I521 PolarHBondContact O-N 3.21Å; Q517-F650 PolarHBondContact NE2-O 3.47Å; Q517-L717 HydrophobicContact CB-CD2 4.09Å; Q517-L717 HydrophobicContact CG-CD2 4.44Å
518G98.1Very high96.9Very high1 Ų129.8 Ų29.81%0.0114%0.142CC..Hα-helixtrans-60.5-41.5173.900000113.8V514 E515 M516 I521 L522 R652V514-G518 PolarHBondContact O-N 3.38Å; V514-G518 VanDerWaalsContact O-N 3.09Å; E515-G518 PolarHBondContact O-N 2.85Å; M516-G518 VanDerWaalsContact C-N 3.35Å; G518-I521 PolarHBondContact O-N 3.37Å; G518-L522 WeakPolarHBondContact O-CB 3.47Å; G518-L522 PolarHBondContact O-N 3.38Å; G518-R652 WeakPolarHBondContact CA-O 3.5Å
519L98.6Very high96.9Very high3 Ų330.8 Ų30.82%0.01615%0.151CC..Hα-helixtrans-62.6-44173.9177.861.7000112.1E515 M516 Q517 I521 L522 L523 T553 I554 Y654 L659 L714E515-L519 PolarHBondContact O-N 3.02Å; M516-L519 PolarHBondContact O-N 2.71Å; Q517-L519 PolarHBondContact O-N 3.48Å; L519-I521 PolarHBondContact O-N 2.78Å; L519-L522 PolarHBondContact O-N 3.23Å; L519-L523 HydrophobicContact CD1-CD1 4.05Å; L519-L523 HydrophobicContact CD1-CG 4.27Å; L519-L523 HydrophobicContact CG-CD1 4.04Å; L519-L523 WeakPolarHBondContact O-CG 3.4Å; L519-L523 PolarHBondContact O-N 3.07Å; L519-T553 HydrophobicContact CD2-CG2 3.83Å; L519-I554 HydrophobicContact CD2-CD1 4.49Å; L519-Y654 HydrophobicContact CB-CD2 4.41Å; L519-Y654 HydrophobicContact CB-CE2 4.34Å; L519-Y654 HydrophobicContact CD2-CE2 4.45Å; L519-L659 HydrophobicContact CD1-CD2 4.11Å; L519-L714 HydrophobicContact CB-CD1 4.48Å; L519-L714 HydrophobicContact CD2-CD1 4.24Å; L519-L714 HydrophobicContact CD2-CD2 3.67Å; L519-L714 HydrophobicContact CG-CD1 4.26Å; L519-L714 HydrophobicContact CG-CD2 4.31Å
520A98.5Very high97.1Very high0 Ų024.8 Ų24.80%013%0.125CC..Hα-helixtrans-60-46178.100000111.6M516 Q517 L523 V524 L714 L717 I718 L721M516-A520 PolarHBondContact O-N 3.18Å; Q517-A520 PolarHBondContact O-N 3.07Å; A520-L523 PolarHBondContact O-N 3.44Å; A520-V524 WeakPolarHBondContact O-CB 3.34Å; A520-V524 VanDerWaalsContact O-CG2 3.3Å; A520-V524 WeakPolarHBondContact O-CG2 3.24Å; A520-V524 PolarHBondContact O-N 3.11Å; A520-L714 HydrophobicContact CB-CD1 3.83Å; A520-L717 HydrophobicContact CB-CD2 3.72Å; A520-L717 HydrophobicContact CB-CG 4.06Å; A520-I718 HydrophobicContact CB-CG1 3.81Å; A520-L721 HydrophobicContact CB-CD1 3.92Å
521I98.1Very high97.1Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-66.6-42.8-179.4-64.1156.9000111F499 V505 L507 Q517 G518 L519 L523 V524 L525 L620 I651 L721F499-I521 HydrophobicContact CE1-CG2 4.26Å; V505-I521 HydrophobicContact CG1-CG1 4.26Å; L507-I521 HydrophobicContact CD2-CD1 3.13Å; L507-I521 HydrophobicContact CD2-CG1 4.07Å; Q517-I521 HydrophobicContact CG-CD1 3.62Å; Q517-I521 HydrophobicContact CG-CG1 4.44Å; Q517-I521 VanDerWaalsContact O-CD1 3.25Å; Q517-I521 WeakPolarHBondContact O-CD1 3.41Å; Q517-I521 VanDerWaalsContact O-CG1 3.23Å; Q517-I521 WeakPolarHBondContact O-CG1 3.38Å; Q517-I521 PolarHBondContact O-N 3.21Å; G518-I521 PolarHBondContact O-N 3.37Å; L519-I521 PolarHBondContact O-N 2.78Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 2.84Å; I521-V524 PolarHBondContact O-N 2.94Å; I521-L525 HydrophobicContact CG2-CD1 3.71Å; I521-L525 HydrophobicContact CG2-CG 4.09Å; I521-L525 WeakPolarHBondContact O-CB 3.5Å; I521-L525 VanDerWaalsContact O-CG 3.29Å; I521-L525 WeakPolarHBondContact O-CG 3.46Å; I521-L525 PolarHBondContact O-N 3.43Å; I521-L620 HydrophobicContact CG2-CD2 3.97Å; I521-I651 HydrophobicContact CD1-CD1 3.46Å; I521-I651 VanDerWaalsContact CD1-CD1 3.46Å; I521-I651 HydrophobicContact CD1-CG1 4.12Å; I521-L721 HydrophobicContact CG1-CD1 3.8Å
522L98.5Very high96.9Very high3 Ų322.3 Ų22.32%0.01612%0.118CC..Hα-helixtrans-54-50.417417159.8000110.9G518 L519 W526 L613 M616 A617 L620 L659G518-L522 WeakPolarHBondContact O-CB 3.47Å; G518-L522 PolarHBondContact O-N 3.38Å; L519-L522 PolarHBondContact O-N 3.23Å; L522-W526 VanDerWaalsContact O-CB 3.26Å; L522-W526 WeakPolarHBondContact O-CB 3.14Å; L522-W526 PolarHBondContact O-N 2.96Å; L522-L613 HydrophobicContact CD1-CD2 4.44Å; L522-L613 HydrophobicContact CG-CD2 4.27Å; L522-M616 HydrophobicContact CD1-CB 3.64Å; L522-A617 HydrophobicContact CD1-CB 4.01Å; L522-A617 HydrophobicContact CD2-CB 3.84Å; L522-L620 HydrophobicContact CB-CD2 4.23Å; L522-L659 HydrophobicContact CD2-CD1 4.28Å
523L98.6Very high97Very high0 Ų017.1 Ų17.10%010%0.096CC..Hα-helixtrans-64.1-44.6-179.1-70.9167.8000112L519 A520 I521 F527 L540 L549 L613 I718L519-L523 HydrophobicContact CD1-CD1 4.05Å; L519-L523 HydrophobicContact CD1-CG 4.27Å; L519-L523 HydrophobicContact CG-CD1 4.04Å; L519-L523 WeakPolarHBondContact O-CG 3.4Å; L519-L523 PolarHBondContact O-N 3.07Å; A520-L523 PolarHBondContact O-N 3.44Å; I521-L523 VanDerWaalsContact C-N 3.31Å; I521-L523 PolarHBondContact O-N 2.84Å; L523-F527 VanDerWaalsContact O-CB 3.28Å; L523-F527 WeakPolarHBondContact O-CB 3.46Å; L523-F527 PolarHBondContact O-N 3.19Å; L523-L540 HydrophobicContact CB-CD1 3.97Å; L523-L540 HydrophobicContact CB-CD2 4Å; L523-L540 HydrophobicContact CD2-CD2 4.39Å; L523-L549 HydrophobicContact CD2-CD2 4.08Å; L523-L613 HydrophobicContact CD2-CD2 4.21Å; L523-I718 HydrophobicContact CB-CD1 4.44Å; L523-I718 HydrophobicContact CD1-CD1 3.88Å
524V98.2Very high97Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-61.2-50.6178.3165.90000111V505 A520 I521 F527 R528 L540 I718 L721 N722V505-V524 HydrophobicContact CG2-CG1 4.37Å; A520-V524 WeakPolarHBondContact O-CB 3.34Å; A520-V524 VanDerWaalsContact O-CG2 3.3Å; A520-V524 WeakPolarHBondContact O-CG2 3.24Å; A520-V524 PolarHBondContact O-N 3.11Å; I521-V524 PolarHBondContact O-N 2.94Å; V524-F527 PolarHBondContact O-N 2.94Å; V524-R528 WeakPolarHBondContact O-CB 3.36Å; V524-R528 VanDerWaalsContact O-CG 3.28Å; V524-R528 WeakPolarHBondContact O-CG 3.45Å; V524-R528 PolarHBondContact O-N 3.11Å; V524-L540 HydrophobicContact CG2-CD1 4.06Å; V524-I718 HydrophobicContact CG2-CG1 4.5Å; V524-I718 HydrophobicContact CG2-CG2 4.02Å; V524-L721 HydrophobicContact CG2-CB 4.25Å; V524-N722 WeakPolarHBondContact CG1-OD1 3.27Å
525L97.8Very high96.9Very high13 Ų1327.6 Ų27.67%0.06814%0.137CC..Hα-helixtrans-65.2-42.1-179.4-66.2179.4000111.6M433 L503 V505 I521 R528 S529 M616 L620M433-L525 HydrophobicContact CE-CD1 4.13Å; L503-L525 HydrophobicContact CB-CD2 4.29Å; L503-L525 HydrophobicContact CD1-CD1 4.16Å; V505-L525 HydrophobicContact CG2-CD2 3.89Å; I521-L525 HydrophobicContact CG2-CD1 3.71Å; I521-L525 HydrophobicContact CG2-CG 4.09Å; I521-L525 WeakPolarHBondContact O-CB 3.5Å; I521-L525 VanDerWaalsContact O-CG 3.29Å; I521-L525 WeakPolarHBondContact O-CG 3.46Å; I521-L525 PolarHBondContact O-N 3.43Å; L525-R528 PolarHBondContact O-N 3.27Å; L525-S529 PolarHBondContact O-N 3.41Å; L525-S529 PolarHBondContact O-OG 3.42Å; L525-M616 HydrophobicContact CB-CE 3.69Å; L525-L620 HydrophobicContact CD1-CD1 4.08Å; L525-L620 HydrophobicContact CD1-CD2 4.4Å
526W98.1Very high96.7Very high0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-61.5-48.8175.8164.870.9000111.5L522 R528 S529 S530 A533 L540 V545 Q609 E612 L613 M616L522-W526 VanDerWaalsContact O-CB 3.26Å; L522-W526 WeakPolarHBondContact O-CB 3.14Å; L522-W526 PolarHBondContact O-N 2.96Å; W526-R528 VanDerWaalsContact C-N 3.3Å; W526-R528 PolarHBondContact O-N 3.5Å; W526-S529 CarbonylContact O-C 3.57Å; W526-S529 PolarHBondContact O-N 2.98Å; W526-S530 VanDerWaalsContact O-CB 3.32Å; W526-S530 WeakPolarHBondContact O-CB 3.46Å; W526-S530 PolarHBondContact O-N 3.05Å; W526-A533 HydrophobicContact CH2-CB 3.62Å; W526-A533 HydrophobicContact CZ2-CB 3.55Å; W526-A533 HydrophobicContact CZ3-CB 4.23Å; W526-L540 HydrophobicContact CE3-CD2 4.25Å; W526-L540 HydrophobicContact CZ3-CD2 4.03Å; W526-V545 HydrophobicContact CH2-CB 4.07Å; W526-V545 HydrophobicContact CH2-CG1 4.05Å; W526-V545 HydrophobicContact CZ2-CG1 4.21Å; W526-Q609 HydrophobicContact CZ2-CB 3.94Å; W526-Q609 HydrophobicContact CZ2-CG 4.09Å; W526-E612 PolarHBondContact NE1-OE2 3.46Å; W526-L613 HydrophobicContact CB-CD2 3.65Å; W526-L613 HydrophobicContact CB-CG 4.37Å; W526-L613 HydrophobicContact CD2-CD1 3.98Å; W526-L613 HydrophobicContact CD2-CD2 3.49Å; W526-L613 VanDerWaalsContact CD2-CD2 3.49Å; W526-L613 HydrophobicContact CD2-CG 3.57Å; W526-L613 HydrophobicContact CE3-CD1 4.16Å; W526-L613 HydrophobicContact CE3-CD2 3.77Å; W526-L613 HydrophobicContact CE3-CG 4.11Å; W526-L613 HydrophobicContact CG-CD2 3.43Å; W526-L613 VanDerWaalsContact CG-CD2 3.43Å; W526-L613 HydrophobicContact CG-CG 3.66Å; W526-L613 HydrophobicContact CH2-CD1 4.18Å; W526-L613 HydrophobicContact CZ2-CD1 4.02Å; W526-L613 HydrophobicContact CZ2-CG 4.33Å; W526-L613 HydrophobicContact CZ3-CD1 4.25Å; W526-M616 HydrophobicContact CB-CG 4.21Å
527F97.8Very high96.7Very high20 Ų2029.1 Ų29.19%0.08815%0.145CC..Hα-helixtrans-64.7-33.8-178-169.9-95.2000112.7L523 V524 S529 A533 Q534 A537 L540L523-F527 VanDerWaalsContact O-CB 3.28Å; L523-F527 WeakPolarHBondContact O-CB 3.46Å; L523-F527 PolarHBondContact O-N 3.19Å; V524-F527 PolarHBondContact O-N 2.94Å; F527-S529 VanDerWaalsContact C-N 3.29Å; F527-S529 PolarHBondContact O-N 3.08Å; F527-A533 HydrophobicContact CD2-CB 3.79Å; F527-A533 HydrophobicContact CE2-CB 4.08Å; F527-Q534 HydrophobicContact CE1-CG 4.39Å; F527-Q534 VanDerWaalsContact O-CG 3.31Å; F527-Q534 WeakPolarHBondContact O-CG 3.38Å; F527-Q534 PolarHBondContact O-NE2 3.43Å; F527-A537 HydrophobicContact CE2-CB 4.2Å; F527-A537 WeakPolarHBondContact CZ-O 3.09Å; F527-L540 HydrophobicContact CB-CD1 4.15Å; F527-L540 HydrophobicContact CB-CD2 3.79Å; F527-L540 HydrophobicContact CB-CG 3.79Å; F527-L540 HydrophobicContact CD1-CG 4.38Å; F527-L540 HydrophobicContact CD2-CD2 3.95Å; F527-L540 HydrophobicContact CD2-CG 4.05Å; F527-L540 HydrophobicContact CG-CD2 4.03Å; F527-L540 HydrophobicContact CG-CG 3.81Å
528R96.2Very high96.6Very high74 Ų7438.9 Ų38.928%0.27919%0.188SC..Hα-helixtrans-67.7-28.1173.9-73.9173.2176.1179.5-1.9112.8N504 V524 L525 W526 Q534 L721 N722N504-R528 PolarHBondContact O-NH1 3.14Å; V524-R528 WeakPolarHBondContact O-CB 3.36Å; V524-R528 VanDerWaalsContact O-CG 3.28Å; V524-R528 WeakPolarHBondContact O-CG 3.45Å; V524-R528 PolarHBondContact O-N 3.11Å; L525-R528 PolarHBondContact O-N 3.27Å; W526-R528 VanDerWaalsContact C-N 3.3Å; W526-R528 PolarHBondContact O-N 3.5Å; R528-Q534 PolarHBondContact O-NE2 3.15Å; R528-L721 PolarHBondContact NH2-O 3.12Å; R528-L721 VanDerWaalsContact NH2-O 3.08Å; R528-N722 PolarHBondContact NH2-O 3.36Å
529S96.2Very high96.5Very high50 Ų5040.8 Ų40.835%0.3520%0.201SC..Hα-helixtrans-100.8-22.4-176.4-60.60000114.9C429 L525 W526 F527C429-S529 WeakPolarHBondContact O-CB 3.41Å; C429-S529 PolarHBondContact O-OG 3.08Å; L525-S529 PolarHBondContact O-N 3.41Å; L525-S529 PolarHBondContact O-OG 3.42Å; W526-S529 CarbonylContact O-C 3.57Å; W526-S529 PolarHBondContact O-N 2.98Å; F527-S529 VanDerWaalsContact C-N 3.29Å; F527-S529 PolarHBondContact O-N 3.08Å
530S95.8Very high96.4Very high0 Ų040.7 Ų40.70%020%0.2CC..  trans-87.8112.1-174.9175.60000111.9W526 H532 A533 Q534 E612W526-S530 VanDerWaalsContact O-CB 3.32Å; W526-S530 WeakPolarHBondContact O-CB 3.46Å; W526-S530 PolarHBondContact O-N 3.05Å; S530-H532 VanDerWaalsContact C-N 3.31Å; S530-H532 PolarHBondContact O-N 3.36Å; S530-A533 PolarHBondContact O-N 3.09Å; S530-A533 WeakPolarHBondContact OG-CB 3.24Å; S530-A533 PolarHBondContact OG-N 3.42Å; S530-A533 VanDerWaalsContact OG-N 3.11Å; S530-Q534 WeakPolarHBondContact O-CG 3.1Å; S530-Q534 PolarHBondContact O-N 3.46Å; S530-Q534 VanDerWaalsContact O-N 3.14Å; S530-E612 WeakPolarHBondContact CB-OE2 3.44Å; S530-E612 VanDerWaalsContact OG-CD 3.31Å; S530-E612 PolarHBondContact OG-OE1 3.3Å; S530-E612 PolarHBondContact OG-OE2 2.87Å
531S93.4Very high96.3Very high76 Ų7643.7 Ų43.753%0.53121%0.214SC..Hα-helixtrans-63.6-35.2174.162.40000112.5K535S531-K535 VanDerWaalsContact O-CB 3.3Å; S531-K535 WeakPolarHBondContact O-CB 3.41Å; S531-K535 PolarHBondContact O-N 3.19Å
532H93.1Very high96.2Very high16 Ų1644.8 Ų44.87%0.07422%0.221CC..Hα-helixtrans-63.6-47.7174.5-67.398.7000111.7I422 S530 Q534 K535 K536 H608 Q609 E612I422-H532 WeakPolarHBondContact CD1-CE1 3.4Å; S530-H532 VanDerWaalsContact C-N 3.31Å; S530-H532 PolarHBondContact O-N 3.36Å; H532-Q534 VanDerWaalsContact C-N 3.34Å; H532-Q534 PolarHBondContact O-N 3.25Å; H532-K535 PolarHBondContact O-N 2.69Å; H532-K536 VanDerWaalsContact O-CG 3.29Å; H532-K536 WeakPolarHBondContact O-CG 3.46Å; H532-K536 PolarHBondContact O-N 3.13Å; H532-H608 AromaticContact CE1-CD2 3.5Å; H532-H608 AromaticContact CE1-CE1 3.89Å; H532-H608 AromaticContact CE1-NE2 3.4Å; H532-H608 PolarHBondContact CE1-NE2 3.09Å; H532-H608 AromaticContact ND1-CD2 3.4Å; H532-H608 PolarHBondContact ND1-CD2 3.45Å; H532-H608 AromaticContact ND1-NE2 3.49Å; H532-H608 PolarHBondContact ND1-NE2 3.22Å; H532-Q609 HydrophobicContact CB-CG 3.59Å; H532-E612 IonicContact ND1-OE1 2.68Å
533A95.6Very high96.2Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-61.3-45-178.200000111.3W526 F527 S530 K535 K536 A537W526-A533 HydrophobicContact CH2-CB 3.62Å; W526-A533 HydrophobicContact CZ2-CB 3.55Å; W526-A533 HydrophobicContact CZ3-CB 4.23Å; F527-A533 HydrophobicContact CD2-CB 3.79Å; F527-A533 HydrophobicContact CE2-CB 4.08Å; S530-A533 PolarHBondContact O-N 3.09Å; S530-A533 WeakPolarHBondContact OG-CB 3.24Å; S530-A533 PolarHBondContact OG-N 3.42Å; S530-A533 VanDerWaalsContact OG-N 3.11Å; A533-K535 VanDerWaalsContact C-N 3.35Å; A533-K535 PolarHBondContact O-N 3.09Å; A533-K536 PolarHBondContact O-N 3.43Å; A533-A537 PolarHBondContact O-N 3.3Å
534Q95.7Very high96.2Very high100 Ų10044.7 Ų44.747%0.46722%0.221SC..Hα-helixtrans-67.1-33.4178.5-69175.6-6.100112.9F527 R528 S530 H532 A537F527-Q534 HydrophobicContact CE1-CG 4.39Å; F527-Q534 VanDerWaalsContact O-CG 3.31Å; F527-Q534 WeakPolarHBondContact O-CG 3.38Å; F527-Q534 PolarHBondContact O-NE2 3.43Å; R528-Q534 PolarHBondContact O-NE2 3.15Å; S530-Q534 WeakPolarHBondContact O-CG 3.1Å; S530-Q534 PolarHBondContact O-N 3.46Å; S530-Q534 VanDerWaalsContact O-N 3.14Å; H532-Q534 VanDerWaalsContact C-N 3.34Å; H532-Q534 PolarHBondContact O-N 3.25Å; Q534-A537 VanDerWaalsContact O-O 3.04Å
535K94.5Very high96.2Very high173 Ų17344.7 Ų44.775%0.75222%0.221SC*.Hα-helixtrans-69.1-35.2174.1-174.6-179.3177.7-173.60112S531 H532 A533S531-K535 VanDerWaalsContact O-CB 3.3Å; S531-K535 WeakPolarHBondContact O-CB 3.41Å; S531-K535 PolarHBondContact O-N 3.19Å; H532-K535 PolarHBondContact O-N 2.69Å; A533-K535 VanDerWaalsContact C-N 3.35Å; A533-K535 PolarHBondContact O-N 3.09Å
536K93.3Very high96.2Very high72 Ų7244.1 Ų44.131%0.31322%0.217SC..Hα-helixtrans-87-19.9-175.9-67-70.9-176.8175.90114.1H532 A533 E605H532-K536 VanDerWaalsContact O-CG 3.29Å; H532-K536 WeakPolarHBondContact O-CG 3.46Å; H532-K536 PolarHBondContact O-N 3.13Å; A533-K536 PolarHBondContact O-N 3.43Å; K536-E605 WeakPolarHBondContact CE-OE2 3.47Å; K536-E605 IonicContact NZ-OE2 3.18Å; K536-E605 PolarHBondContact NZ-OE2 3.47Å
537A96.5Very high96.2Very high10 Ų1044.1 Ų44.18%0.08322%0.217CC..  trans-151.8146.3-173.400000112.2F527 A533 Q534 S543F527-A537 HydrophobicContact CE2-CB 4.2Å; F527-A537 WeakPolarHBondContact CZ-O 3.09Å; A533-A537 PolarHBondContact O-N 3.3Å; Q534-A537 VanDerWaalsContact O-O 3.04Å; A537-S543 VanDerWaalsContact CB-CA 3.46Å
538K95.2Very high96.3Very high206 Ų20643.1 Ų43.190%0.89621%0.213SC*.SBendtrans-79.2-23.3177.5-65.7-176.5179.4179.40112.7T542K538-T542 PolarHBondContact N-OG1 3.04Å
539S96.3Very high96.4Very high40 Ų4039.6 Ų39.628%0.2820%0.2SC..SBendtrans-156.1166.4-178.369.30000110.4Q541 T542 S543S539-Q541 PolarHBondContact O-N 2.86Å; S539-T542 PolarHBondContact N-OG1 3.24Å; S539-T542 CarbonylContact O-C 3.42Å; S539-T542 PolarHBondContact O-N 3.12Å; S539-T542 PolarHBondContact O-OG1 2.95Å; S539-S543 PolarHBondContact O-N 3.36Å; S539-S543 VanDerWaalsContact O-N 3.1Å
540L97Very high96.5Very high2 Ų237.2 Ų37.21%0.0118%0.183CC..G310 helixtrans-57.5-35.1174.2-84.1165.2000113.2L523 V524 W526 F527 T542 S543 F715 I718L523-L540 HydrophobicContact CB-CD1 3.97Å; L523-L540 HydrophobicContact CB-CD2 4Å; L523-L540 HydrophobicContact CD2-CD2 4.39Å; V524-L540 HydrophobicContact CG2-CD1 4.06Å; W526-L540 HydrophobicContact CE3-CD2 4.25Å; W526-L540 HydrophobicContact CZ3-CD2 4.03Å; F527-L540 HydrophobicContact CB-CD1 4.15Å; F527-L540 HydrophobicContact CB-CD2 3.79Å; F527-L540 HydrophobicContact CB-CG 3.79Å; F527-L540 HydrophobicContact CD1-CG 4.38Å; F527-L540 HydrophobicContact CD2-CD2 3.95Å; F527-L540 HydrophobicContact CD2-CG 4.05Å; F527-L540 HydrophobicContact CG-CD2 4.03Å; F527-L540 HydrophobicContact CG-CG 3.81Å; L540-T542 PolarHBondContact O-N 3.06Å; L540-S543 PolarHBondContact O-N 3.48Å; L540-S543 VanDerWaalsContact O-N 3.15Å; L540-F715 HydrophobicContact CB-CE1 4.26Å; L540-I718 HydrophobicContact CB-CG2 4.15Å; L540-I718 HydrophobicContact CD1-CD1 4.49Å; L540-I718 HydrophobicContact CD1-CG2 3.5Å; L540-I718 VanDerWaalsContact CD1-CG2 3.5Å; L540-I718 HydrophobicContact CG-CG2 4.47Å
541Q96.2Very high96.6Very high63 Ų6337.2 Ų37.229%0.29418%0.183SC..G310 helixtrans-64.1-19.2176.7-69-176.31.400113.4S539 L547 F715 D719S539-Q541 PolarHBondContact O-N 2.86Å; Q541-L547 WeakPolarHBondContact O-CD1 3.45Å; Q541-F715 HydrophobicContact CB-CD1 4.45Å; Q541-F715 HydrophobicContact CG-CD1 3.51Å; Q541-F715 HydrophobicContact CG-CE1 4Å; Q541-F715 HydrophobicContact CG-CG 4.44Å; Q541-D719 PolarHBondContact NE2-OD1 3.09Å; Q541-D719 PolarHBondContact NE2-OD2 3.4Å
542T97.3Very high96.8Very high22 Ų2234.2 Ų34.214%0.13516%0.162CC..G310 helixtrans-110.2-1.2178.863.10000112.4K538 S539 L540 P544 P678 R681K538-T542 PolarHBondContact N-OG1 3.04Å; S539-T542 PolarHBondContact N-OG1 3.24Å; S539-T542 CarbonylContact O-C 3.42Å; S539-T542 PolarHBondContact O-N 3.12Å; S539-T542 PolarHBondContact O-OG1 2.95Å; L540-T542 PolarHBondContact O-N 3.06Å; T542-P544 WeakPolarHBondContact O-CD 3.1Å; T542-P678 HydrophobicContact CG2-CB 4.31Å; T542-P678 WeakPolarHBondContact CG2-O 3.26Å; T542-R681 VanDerWaalsContact O-CD 3.23Å; T542-R681 WeakPolarHBondContact O-CD 3.31Å; T542-R681 PolarHBondContact O-NH1 3.3Å
543S97.9Very high97.1Very high0 Ų033.5 Ų33.50%016%0.159CC..  trans-78.9115-178.6178.30000111.4A537 S539 L540 V545 G546 L547A537-S543 VanDerWaalsContact CB-CA 3.46Å; S539-S543 PolarHBondContact O-N 3.36Å; S539-S543 VanDerWaalsContact O-N 3.1Å; L540-S543 PolarHBondContact O-N 3.48Å; L540-S543 VanDerWaalsContact O-N 3.15Å; S543-V545 PolarHBondContact O-N 3.4Å; S543-G546 PolarHBondContact O-N 3.49Å; S543-G546 PolarHBondContact OG-N 3.19Å; S543-L547 VanDerWaalsContact O-CB 3.28Å; S543-L547 WeakPolarHBondContact O-CB 3.3Å; S543-L547 WeakPolarHBondContact O-CD1 3.34Å; S543-L547 WeakPolarHBondContact O-CG 2.95Å; S543-L547 PolarHBondContact O-N 3.05Å
544P98Very high97.2Very high2 Ų233.7 Ų33.71%0.01316%0.16CC..Hα-helixtrans-55.4-47.8178.7-27.237.2000112.8T542 A548 L673 Q674T542-P544 WeakPolarHBondContact O-CD 3.1Å; P544-A548 WeakPolarHBondContact O-CB 3.39Å; P544-A548 PolarHBondContact O-N 2.87Å; P544-L673 HydrophobicContact CB-CB 3.89Å; P544-Q674 HydrophobicContact CB-CG 4.1Å; P544-Q674 HydrophobicContact CG-CG 3.94Å
545V98.2Very high97.3Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-71.1-42.6-178.6173.20000111.6W526 S543 L547 A548 L549 Q609 L610 L613W526-V545 HydrophobicContact CH2-CB 4.07Å; W526-V545 HydrophobicContact CH2-CG1 4.05Å; W526-V545 HydrophobicContact CZ2-CG1 4.21Å; S543-V545 PolarHBondContact O-N 3.4Å; V545-L547 PolarHBondContact O-N 2.98Å; V545-A548 PolarHBondContact O-N 2.84Å; V545-L549 PolarHBondContact O-N 3.26Å; V545-Q609 HydrophobicContact CB-CB 4.37Å; V545-Q609 HydrophobicContact CG1-CB 4.07Å; V545-Q609 HydrophobicContact CG2-CB 4.05Å; V545-L610 HydrophobicContact CG1-CD2 3.69Å; V545-L610 HydrophobicContact CG1-CG 4.16Å; V545-L613 HydrophobicContact CG1-CD1 3.62Å
546G98.2Very high97.3Very high0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-63.2-41.1177.700000112.7S543 S550S543-G546 PolarHBondContact O-N 3.49Å; S543-G546 PolarHBondContact OG-N 3.19Å; G546-S550 VanDerWaalsContact O-CB 3.32Å; G546-S550 WeakPolarHBondContact O-CB 3.13Å; G546-S550 PolarHBondContact O-N 3.31Å; G546-S550 PolarHBondContact O-OG 3.49Å
547L98.6Very high97.4Very high0 Ų019.6 Ų19.60%010%0.099CC..Hα-helixtrans-66.7-41.5174.2-69.1170.6000112Q541 S543 V545 S550 C551 L673 R681 F682 V685 Y711 F715Q541-L547 WeakPolarHBondContact O-CD1 3.45Å; S543-L547 VanDerWaalsContact O-CB 3.28Å; S543-L547 WeakPolarHBondContact O-CB 3.3Å; S543-L547 WeakPolarHBondContact O-CD1 3.34Å; S543-L547 WeakPolarHBondContact O-CG 2.95Å; S543-L547 PolarHBondContact O-N 3.05Å; V545-L547 PolarHBondContact O-N 2.98Å; L547-S550 WeakPolarHBondContact CA-OG 3.29Å; L547-S550 PolarHBondContact O-OG 3.28Å; L547-S550 VanDerWaalsContact O-OG 3.07Å; L547-C551 VanDerWaalsContact O-CB 3.3Å; L547-C551 WeakPolarHBondContact O-CB 3.41Å; L547-C551 PolarHBondContact O-N 2.93Å; L547-C551 PolarHBondContact O-SG 3.23Å; L547-L673 HydrophobicContact CB-CD1 3.91Å; L547-L673 HydrophobicContact CD1-CD1 4.32Å; L547-R681 HydrophobicContact CD1-CB 3.55Å; L547-F682 HydrophobicContact CD2-CB 4.46Å; L547-F682 HydrophobicContact CD2-CD2 3.98Å; L547-V685 HydrophobicContact CB-CG2 4.1Å; L547-V685 HydrophobicContact CD1-CG2 4.35Å; L547-Y711 WeakPolarHBondContact CD2-OH 3.38Å; L547-Y711 PolarHBondContact O-OH 3.04Å; L547-F715 HydrophobicContact CD2-CE1 4.13Å; L547-F715 HydrophobicContact CD2-CE2 4.25Å; L547-F715 HydrophobicContact CD2-CZ 3.62Å
548A98.4Very high97.4Very high0 Ų019.3 Ų19.30%010%0.097CC..Hα-helixtrans-63.2-47.517800000112.1P544 V545 C551 C552 L666 I669 S670P544-A548 WeakPolarHBondContact O-CB 3.39Å; P544-A548 PolarHBondContact O-N 2.87Å; V545-A548 PolarHBondContact O-N 2.84Å; A548-C551 PolarHBondContact O-SG 3.49Å; A548-C552 WeakPolarHBondContact O-CB 2.81Å; A548-C552 PolarHBondContact O-N 3.07Å; A548-C552 PolarHBondContact O-SG 3.47Å; A548-L666 HydrophobicContact CB-CD2 4.5Å; A548-L666 WeakPolarHBondContact O-CD2 3.14Å; A548-I669 HydrophobicContact CB-CB 4.09Å; A548-I669 HydrophobicContact CB-CG2 3.73Å; A548-S670 VanDerWaalsContact CB-OG 3.23Å; A548-S670 WeakPolarHBondContact CB-OG 3.4Å
549L98.6Very high97.3Very high0 Ų09.5 Ų9.50%05%0.054CC..Hα-helixtrans-61.1-50.2177.617863.8000111.5L523 V545 C551 C552 T553 L613 L659 F660 L666L523-L549 HydrophobicContact CD2-CD2 4.08Å; V545-L549 PolarHBondContact O-N 3.26Å; L549-C551 PolarHBondContact O-N 3.29Å; L549-C552 PolarHBondContact O-N 2.94Å; L549-T553 WeakPolarHBondContact O-CB 3.41Å; L549-T553 PolarHBondContact O-N 3.02Å; L549-T553 PolarHBondContact O-OG1 3Å; L549-L613 HydrophobicContact CD2-CB 4.27Å; L549-L613 HydrophobicContact CD2-CD1 3.77Å; L549-L613 HydrophobicContact CD2-CD2 3.77Å; L549-L613 HydrophobicContact CD2-CG 4.15Å; L549-L659 WeakPolarHBondContact CD1-O 3.47Å; L549-F660 HydrophobicContact CD1-CD1 3.95Å; L549-F660 HydrophobicContact CD1-CE1 3.77Å; L549-F660 HydrophobicContact CD1-CZ 4.45Å; L549-F660 HydrophobicContact CD2-CE1 4.17Å; L549-F660 HydrophobicContact CD2-CZ 4.46Å; L549-L666 HydrophobicContact CB-CD2 4.33Å; L549-L666 HydrophobicContact CD1-CD1 4.32Å; L549-L666 HydrophobicContact CD1-CD2 4.26Å
550S98.4Very high97.1Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-63.6-42.3-177.756.40000111.8G546 L547 T553 I554 Y711G546-S550 VanDerWaalsContact O-CB 3.32Å; G546-S550 WeakPolarHBondContact O-CB 3.13Å; G546-S550 PolarHBondContact O-N 3.31Å; G546-S550 PolarHBondContact O-OG 3.49Å; L547-S550 WeakPolarHBondContact CA-OG 3.29Å; L547-S550 PolarHBondContact O-OG 3.28Å; L547-S550 VanDerWaalsContact O-OG 3.07Å; S550-T553 PolarHBondContact O-N 3.48Å; S550-I554 VanDerWaalsContact O-CG1 3.31Å; S550-I554 WeakPolarHBondContact O-CG1 3.34Å; S550-I554 PolarHBondContact O-N 3.47Å; S550-I554 VanDerWaalsContact O-N 3.09Å; S550-Y711 WeakPolarHBondContact OG-CE2 3.4Å; S550-Y711 PolarHBondContact OG-OH 3.4Å
551C98.1Very high96.7Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-69.7-41.3-179.877.90000112.3L547 A548 L549 T553 I554 A555 V685 L690 Y711L547-C551 VanDerWaalsContact O-CB 3.3Å; L547-C551 WeakPolarHBondContact O-CB 3.41Å; L547-C551 PolarHBondContact O-N 2.93Å; L547-C551 PolarHBondContact O-SG 3.23Å; A548-C551 PolarHBondContact O-SG 3.49Å; L549-C551 PolarHBondContact O-N 3.29Å; C551-T553 VanDerWaalsContact C-N 3.35Å; C551-I554 PolarHBondContact O-N 3.09Å; C551-A555 VanDerWaalsContact O-CB 3.31Å; C551-A555 WeakPolarHBondContact O-CB 3.29Å; C551-A555 PolarHBondContact O-N 3.21Å; C551-V685 HydrophobicContact CB-CG1 3.32Å; C551-L690 HydrophobicContact CB-CD1 4.48Å; C551-Y711 HydrophobicContact CB-CD2 4.47Å; C551-Y711 HydrophobicContact CB-CE2 3.76Å
552C98.3Very high96.3Very high13 Ų1310.1 Ų10.19%0.0886%0.055CC..Hα-helixtrans-65.7-39.8177.6-67.40000111.3A548 L549 A555 M556 L666A548-C552 WeakPolarHBondContact O-CB 2.81Å; A548-C552 PolarHBondContact O-N 3.07Å; A548-C552 PolarHBondContact O-SG 3.47Å; L549-C552 PolarHBondContact O-N 2.94Å; C552-A555 PolarHBondContact O-N 3.49Å; C552-M556 WeakPolarHBondContact O-CB 2.99Å; C552-M556 PolarHBondContact O-N 2.94Å; C552-L666 HydrophobicContact CB-CD2 3.71Å
553T98.2Very high95.7Very high0 Ų09.2 Ų9.20%05%0.05CC..Hα-helixtrans-61.4-50.2176.6-62.20000111.7L519 L549 S550 C551 A555 M556 N557 Y654 L659L519-T553 HydrophobicContact CD2-CG2 3.83Å; L549-T553 WeakPolarHBondContact O-CB 3.41Å; L549-T553 PolarHBondContact O-N 3.02Å; L549-T553 PolarHBondContact O-OG1 3Å; S550-T553 PolarHBondContact O-N 3.48Å; C551-T553 VanDerWaalsContact C-N 3.35Å; T553-A555 PolarHBondContact O-N 3.35Å; T553-M556 PolarHBondContact O-N 3.4Å; T553-N557 WeakPolarHBondContact O-CB 3.19Å; T553-N557 PolarHBondContact O-N 3.05Å; T553-Y654 HydrophobicContact CG2-CD2 3.74Å; T553-Y654 HydrophobicContact CG2-CE2 4.08Å; T553-Y654 HydrophobicContact CG2-CG 4.14Å; T553-L659 HydrophobicContact CG2-CD2 3.47Å; T553-L659 VanDerWaalsContact CG2-CD2 3.47Å
554I98Very high94.7Very high4 Ų413 Ų132%0.0218%0.075CC..Hα-helixtrans-63.8-43.1-179.6-65.2-62000111M516 L519 S550 C551 S558 V707 D710 Y711 L714M516-I554 HydrophobicContact CE-CD1 4.09Å; L519-I554 HydrophobicContact CD2-CD1 4.49Å; S550-I554 VanDerWaalsContact O-CG1 3.31Å; S550-I554 WeakPolarHBondContact O-CG1 3.34Å; S550-I554 PolarHBondContact O-N 3.47Å; S550-I554 VanDerWaalsContact O-N 3.09Å; C551-I554 PolarHBondContact O-N 3.09Å; I554-S558 WeakPolarHBondContact O-CB 3.35Å; I554-S558 PolarHBondContact O-N 2.81Å; I554-V707 HydrophobicContact CG2-CB 4.02Å; I554-V707 HydrophobicContact CG2-CG1 4.26Å; I554-D710 HydrophobicContact CG2-CB 4.33Å; I554-Y711 HydrophobicContact CG1-CD2 4.32Å; I554-L714 HydrophobicContact CG1-CD2 4.4Å
555A97.2Very high93.8Very high1 Ų120.3 Ų20.31%0.00810%0.103CC..Hα-helixtrans-62.4-43.917500000112.1C551 C552 T553 S558 N559 L690 L693 L694C551-A555 VanDerWaalsContact O-CB 3.31Å; C551-A555 WeakPolarHBondContact O-CB 3.29Å; C551-A555 PolarHBondContact O-N 3.21Å; C552-A555 PolarHBondContact O-N 3.49Å; T553-A555 PolarHBondContact O-N 3.35Å; A555-S558 PolarHBondContact O-N 3.04Å; A555-N559 WeakPolarHBondContact O-CB 3.33Å; A555-N559 VanDerWaalsContact O-CG 3.28Å; A555-N559 PolarHBondContact O-N 3.11Å; A555-N559 PolarHBondContact O-ND2 3.44Å; A555-L690 HydrophobicContact CB-CD1 3.99Å; A555-L693 HydrophobicContact CB-CB 3.5Å; A555-L693 HydrophobicContact CB-CD1 4.02Å; A555-L693 HydrophobicContact CB-CG 4.41Å; A555-L694 HydrophobicContact CB-CD2 4.21Å
556M96Very high92.5Very high2 Ų221.4 Ų21.41%0.0111%0.108CC..Hα-helixtrans-63.1-47.2-179.9-174.567.4-140.300111.6L53 C552 T553 S558 N559 C560 I579 L583 W657 M658 A661L53-M556 HydrophobicContact CD1-CE 4.33Å; L53-M556 HydrophobicContact CD2-CE 4.23Å; L53-M556 HydrophobicContact CD2-SD 4.28Å; C552-M556 WeakPolarHBondContact O-CB 2.99Å; C552-M556 PolarHBondContact O-N 2.94Å; T553-M556 PolarHBondContact O-N 3.4Å; M556-S558 VanDerWaalsContact C-N 3.31Å; M556-S558 PolarHBondContact O-N 2.85Å; M556-N559 PolarHBondContact O-N 2.98Å; M556-C560 WeakPolarHBondContact CE-SG 3.47Å; M556-C560 PolarHBondContact O-N 3.5Å; M556-I579 HydrophobicContact CE-CB 4.37Å; M556-I579 HydrophobicContact CE-CD1 3.98Å; M556-I579 HydrophobicContact CE-CG2 3.53Å; M556-I579 HydrophobicContact SD-CG2 3.61Å; M556-L583 HydrophobicContact SD-CD1 3.86Å; M556-W657 HydrophobicContact CE-CZ3 4Å; M556-M658 HydrophobicContact CB-CG 4Å; M556-M658 HydrophobicContact CG-CB 4.39Å; M556-M658 HydrophobicContact CG-CG 3.5Å; M556-A661 HydrophobicContact CG-CB 4.31Å; M556-A661 HydrophobicContact SD-CB 4.1Å
557N95.6Very high90.6Very high46 Ų4631.7 Ų31.725%0.24615%0.147CC..Hα-helixtrans-57.8-45.1174.9179.672.6000111.5T553 C560 E561 Y654 M658T553-N557 WeakPolarHBondContact O-CB 3.19Å; T553-N557 PolarHBondContact O-N 3.05Å; N557-C560 PolarHBondContact O-N 3.48Å; N557-E561 PolarHBondContact O-N 3.44Å; N557-Y654 HydrophobicContact CB-CD1 4.45Å; N557-Y654 HydrophobicContact CB-CE1 3.98Å; N557-Y654 WeakPolarHBondContact OD1-CE1 3.23Å; N557-M658 HydrophobicContact CB-SD 3.81Å
558S95.1Very high88.8Confident5 Ų537.7 Ų37.74%0.03518%0.179CC..Hα-helixtrans-64.9-41.5177.4-178.60000112.7I554 A555 M556 C560 E561 F562 Q703 V707I554-S558 WeakPolarHBondContact O-CB 3.35Å; I554-S558 PolarHBondContact O-N 2.81Å; A555-S558 PolarHBondContact O-N 3.04Å; M556-S558 VanDerWaalsContact C-N 3.31Å; M556-S558 PolarHBondContact O-N 2.85Å; S558-C560 VanDerWaalsContact C-N 3.35Å; S558-C560 PolarHBondContact O-N 2.97Å; S558-E561 PolarHBondContact O-N 3.33Å; S558-F562 WeakPolarHBondContact O-CB 3.41Å; S558-F562 WeakPolarHBondContact O-CD2 3.47Å; S558-F562 PolarHBondContact O-N 3.49Å; S558-Q703 WeakPolarHBondContact OG-CG 3.38Å; S558-Q703 PolarHBondContact OG-NE2 3.36Å; S558-Q703 VanDerWaalsContact OG-NE2 3.09Å; S558-V707 VanDerWaalsContact OG-CG1 3.22Å; S558-V707 WeakPolarHBondContact OG-CG1 3.14Å
559N94.2Very high86.6Confident0 Ų039.6 Ų39.60%019%0.191CC..Hα-helixtrans-60.9-44.6175.7-75.8-27.6000111.1A555 M556 E561 F562 V563 I579 L693 L694 I695 Q703A555-N559 WeakPolarHBondContact O-CB 3.33Å; A555-N559 VanDerWaalsContact O-CG 3.28Å; A555-N559 PolarHBondContact O-N 3.11Å; A555-N559 PolarHBondContact O-ND2 3.44Å; M556-N559 PolarHBondContact O-N 2.98Å; N559-E561 VanDerWaalsContact C-N 3.32Å; N559-E561 PolarHBondContact O-N 2.93Å; N559-F562 PolarHBondContact O-N 3.11Å; N559-V563 WeakPolarHBondContact O-CB 3.32Å; N559-V563 WeakPolarHBondContact O-CG2 3.4Å; N559-V563 PolarHBondContact O-N 3.24Å; N559-I579 HydrophobicContact CB-CD1 4.44Å; N559-I579 HydrophobicContact CB-CG1 4.41Å; N559-L693 PolarHBondContact ND2-O 2.65Å; N559-L694 WeakPolarHBondContact OD1-CA 3.48Å; N559-I695 HydrophobicContact CB-CD1 4.26Å; N559-I695 PolarHBondContact OD1-N 3.37Å; N559-Q703 PolarHBondContact OD1-NE2 3.4Å
560C90.9Very high84.2Confident29 Ų2942.1 Ų42.120%0.19621%0.212CC..Hα-helixtrans-57.7-43.7173.8-76.90000112.3M556 N557 S558 C564 M658M556-C560 WeakPolarHBondContact CE-SG 3.47Å; M556-C560 PolarHBondContact O-N 3.5Å; N557-C560 PolarHBondContact O-N 3.48Å; S558-C560 VanDerWaalsContact C-N 3.35Å; S558-C560 PolarHBondContact O-N 2.97Å; C560-C564 VanDerWaalsContact O-CB 3.27Å; C560-C564 WeakPolarHBondContact O-CB 3.19Å; C560-C564 PolarHBondContact O-N 3.19Å; C560-C564 PolarHBondContact O-SG 3.1Å; C560-M658 HydrophobicContact CB-CE 4.48Å
561E89.4Confident81.8Confident77 Ų7746.6 Ų46.636%0.3625%0.249SC..Hα-helixtrans-67.3-47.1180-176.4-173.7171.100112.6N557 S558 N559 R565N557-E561 PolarHBondContact O-N 3.44Å; S558-E561 PolarHBondContact O-N 3.33Å; N559-E561 VanDerWaalsContact C-N 3.32Å; N559-E561 PolarHBondContact O-N 2.93Å; E561-R565 WeakPolarHBondContact O-CG 3.3Å; E561-R565 PolarHBondContact O-N 2.78Å; E561-R565 IonicContact OE1-CZ 3.12Å; E561-R565 IonicContact OE1-NH1 2.66Å; E561-R565 PolarHBondContact OE1-NH1 3.45Å; E561-R565 IonicContact OE1-NH2 3.99Å; E561-R565 PolarHBondContact OE1-NH2 3.35Å
562F88.4Confident79.4Confident11 Ų1150.1 Ų50.15%0.04828%0.278CS..Hα-helixtrans-82.6-36.8-171.6-81.7-104.2000113.2S558 N559 R565 D566 T697 Q703S558-F562 WeakPolarHBondContact O-CB 3.41Å; S558-F562 WeakPolarHBondContact O-CD2 3.47Å; S558-F562 PolarHBondContact O-N 3.49Å; N559-F562 PolarHBondContact O-N 3.11Å; F562-R565 PolarHBondContact O-N 2.91Å; F562-D566 PolarHBondContact O-N 2.78Å; F562-D566 VanDerWaalsContact O-N 3.16Å; F562-T697 HydrophobicContact CB-CG2 4.29Å; F562-Q703 HydrophobicContact CB-CG 4.33Å; F562-Q703 HydrophobicContact CD1-CB 3.74Å; F562-Q703 HydrophobicContact CD1-CG 3.91Å; F562-Q703 HydrophobicContact CD2-CB 4.32Å; F562-Q703 HydrophobicContact CD2-CG 3.7Å; F562-Q703 HydrophobicContact CE1-CB 3.63Å; F562-Q703 HydrophobicContact CE1-CG 4.09Å; F562-Q703 HydrophobicContact CE2-CB 4.22Å; F562-Q703 HydrophobicContact CE2-CG 3.88Å; F562-Q703 HydrophobicContact CG-CB 4.09Å; F562-Q703 HydrophobicContact CG-CG 3.7Å; F562-Q703 HydrophobicContact CZ-CB 3.88Å; F562-Q703 HydrophobicContact CZ-CG 4.07Å
563V84.4Confident77.2Confident3 Ų352.9 Ų52.92%0.01831%0.309CS..Hα-helixtrans-65.1-42.4175.5172.90000110.2N559 R565 D566 T569 H575 I579 I695 T697N559-V563 WeakPolarHBondContact O-CB 3.32Å; N559-V563 WeakPolarHBondContact O-CG2 3.4Å; N559-V563 PolarHBondContact O-N 3.24Å; V563-R565 PolarHBondContact O-N 2.98Å; V563-D566 PolarHBondContact O-N 2.76Å; V563-D566 VanDerWaalsContact O-N 3.13Å; V563-T569 PolarHBondContact O-OG1 3.38Å; V563-H575 HydrophobicContact CG1-CB 3.98Å; V563-H575 VanDerWaalsContact CG1-ND1 3.26Å; V563-H575 WeakPolarHBondContact CG1-ND1 3.45Å; V563-I579 HydrophobicContact CG2-CG1 4.46Å; V563-I695 HydrophobicContact CG2-CB 4.14Å; V563-I695 HydrophobicContact CG2-CD1 3.88Å; V563-I695 HydrophobicContact CG2-CG2 4.11Å; V563-T697 HydrophobicContact CG2-CG2 4.37Å
564C76.9Confident76.1Confident79 Ų7956.7 Ų56.753%0.53433%0.329SS..Hα-helixtrans-65.8-22.7176.3-68.70000113.6C560C560-C564 VanDerWaalsContact O-CB 3.27Å; C560-C564 WeakPolarHBondContact O-CB 3.19Å; C560-C564 PolarHBondContact O-N 3.19Å; C560-C564 PolarHBondContact O-SG 3.1Å
565R78.6Confident75.4Confident157 Ų15758.6 Ų58.659%0.59234%0.338SS*.Hα-helixtrans-81.2-24.6174.3-77.2176.9177.9156.99.7113.1E561 F562 V563 R567E561-R565 WeakPolarHBondContact O-CG 3.3Å; E561-R565 PolarHBondContact O-N 2.78Å; E561-R565 IonicContact OE1-CZ 3.12Å; E561-R565 IonicContact OE1-NH1 2.66Å; E561-R565 PolarHBondContact OE1-NH1 3.45Å; E561-R565 IonicContact OE1-NH2 3.99Å; E561-R565 PolarHBondContact OE1-NH2 3.35Å; F562-R565 PolarHBondContact O-N 2.91Å; V563-R565 PolarHBondContact O-N 2.98Å; R565-R567 PolarHBondContact O-N 3.38Å
566D71.4Confident74.9Confident22 Ų2260.2 Ų60.212%0.11835%0.347CS..  trans-81.5103.8-175-158.5-19.7000110.6F562 V563 D568 T569 A570 N698F562-D566 PolarHBondContact O-N 2.78Å; F562-D566 VanDerWaalsContact O-N 3.16Å; V563-D566 PolarHBondContact O-N 2.76Å; V563-D566 VanDerWaalsContact O-N 3.13Å; D566-D568 PolarHBondContact O-N 2.9Å; D566-T569 HydrophobicContact CB-CG2 4.34Å; D566-T569 PolarHBondContact O-N 2.84Å; D566-T569 PolarHBondContact O-OG1 3.02Å; D566-A570 PolarHBondContact O-N 3.21Å; D566-A570 VanDerWaalsContact O-N 3.1Å; D566-N698 PolarHBondContact OD1-ND2 3.34Å; D566-N698 PolarHBondContact OD2-N 3.45Å
567R58.3Low74.5Confident217 Ų21762 Ų6282%0.81936%0.36SS*.Hα-helixtrans-59.2-31.6-175.1-62.7-173.8-164.5-168.44.6112.6R565 T569 A570 A571R565-R567 PolarHBondContact O-N 3.38Å; R567-T569 PolarHBondContact O-N 3.01Å; R567-A570 PolarHBondContact O-N 3.36Å; R567-A571 PolarHBondContact O-N 2.68Å
568D61Low74.2Confident125 Ų12562.6 Ų62.667%0.66837%0.368SS*.Hα-helixtrans-66.4-30.6179-65.5-25.3000111.3D566D566-D568 PolarHBondContact O-N 2.9Å
569T51.3Low74.1Confident41 Ų4162.6 Ų62.625%0.25237%0.367SS..Hα-helixtrans-86.8-26.7175.368.60000113.1V563 D566 R567 A571 A572 H575V563-T569 PolarHBondContact O-OG1 3.38Å; D566-T569 HydrophobicContact CB-CG2 4.34Å; D566-T569 PolarHBondContact O-N 2.84Å; D566-T569 PolarHBondContact O-OG1 3.02Å; R567-T569 PolarHBondContact O-N 3.01Å; T569-A571 PolarHBondContact O-N 2.97Å; T569-A572 WeakPolarHBondContact O-CB 3.23Å; T569-A572 PolarHBondContact O-N 3.18Å; T569-H575 VanDerWaalsContact C-CE1 3.46Å; T569-H575 PolarHBondContact O-CE1 2.84Å; T569-H575 PolarHBondContact OG1-CE1 3.47Å
570A47.8Very low74.1Confident52 Ų5267 Ų6743%0.4338%0.384SS..Hα-helixtrans-63.8-31.317700000112.3D566 R567 A572 G573 H575D566-A570 PolarHBondContact O-N 3.21Å; D566-A570 VanDerWaalsContact O-N 3.1Å; R567-A570 PolarHBondContact O-N 3.36Å; A570-A572 PolarHBondContact O-N 3.4Å; A570-G573 PolarHBondContact O-N 3.26Å; A570-H575 VanDerWaalsContact CA-CE1 3.42Å; A570-H575 WeakPolarHBondContact CA-CE1 3.48Å; A570-H575 PolarHBondContact N-CE1 3.15Å
571A49Very low74.2Confident95 Ų9568.1 Ų68.179%0.78539%0.39SS*.THydrogen-bonded Turntrans-64.2-22.1173.400000113.6R567 T569R567-A571 PolarHBondContact O-N 2.68Å; T569-A571 PolarHBondContact O-N 2.97Å
572A48.3Very low74.5Confident73 Ų7366.5 Ų66.560%0.60338%0.382SS*.THydrogen-bonded Turntrans-88.40.7-177.100000114.5T569 A570 D574T569-A572 WeakPolarHBondContact O-CB 3.23Å; T569-A572 PolarHBondContact O-N 3.18Å; A570-A572 PolarHBondContact O-N 3.4Å; A572-D574 PolarHBondContact O-N 3.49Å
573G52Low74.9Confident72 Ų7266.4 Ų66.474%0.74238%0.383SS*.SBendtrans66.1-2.7163.700000118.2A570A570-G573 PolarHBondContact O-N 3.26Å
574D74.8Confident75.4Confident79 Ų7968.3 Ų68.342%0.42239%0.393SS..  trans-145.171.4179.3-161.9-10.9000113.1A572 V576 S577 S578A572-D574 PolarHBondContact O-N 3.49Å; D574-V576 PolarHBondContact O-N 3.48Å; D574-V576 PolarHBondContact OD1-N 3.4Å; D574-S577 PolarHBondContact O-N 3.07Å; D574-S577 WeakPolarHBondContact OD1-CB 3.44Å; D574-S577 PolarHBondContact OD1-N 3.06Å; D574-S577 WeakPolarHBondContact OD2-CB 3.15Å; D574-S578 PolarHBondContact O-N 3.02Å; D574-S578 VanDerWaalsContact O-N 3.09Å; D574-S578 PolarHBondContact O-OG 3.5Å; D574-S578 VanDerWaalsContact O-OG 3.1Å
575H83.3Confident76.4Confident45 Ų4571.2 Ų71.221%0.20840%0.396CS..Hα-helixtrans-56.7-36173.8-62.6-50.7000112.2V563 T569 A570 S578 I579V563-H575 HydrophobicContact CG1-CB 3.98Å; V563-H575 VanDerWaalsContact CG1-ND1 3.26Å; V563-H575 WeakPolarHBondContact CG1-ND1 3.45Å; T569-H575 VanDerWaalsContact C-CE1 3.46Å; T569-H575 PolarHBondContact O-CE1 2.84Å; T569-H575 PolarHBondContact OG1-CE1 3.47Å; A570-H575 VanDerWaalsContact CA-CE1 3.42Å; A570-H575 WeakPolarHBondContact CA-CE1 3.48Å; A570-H575 PolarHBondContact N-CE1 3.15Å; H575-S578 PolarHBondContact O-N 3.35Å; H575-I579 VanDerWaalsContact O-CG1 3.26Å; H575-I579 WeakPolarHBondContact O-CG1 3.32Å; H575-I579 PolarHBondContact O-N 2.82Å
576V86.1Confident77.3Confident34 Ų3464.3 Ų64.321%0.20637%0.372CS..Hα-helixtrans-64.1-48180172.40000110.7L53 D574 S578 I579 R580L53-V576 HydrophobicContact CD1-CG1 3.87Å; L53-V576 HydrophobicContact CG-CG1 4.4Å; D574-V576 PolarHBondContact O-N 3.48Å; D574-V576 PolarHBondContact OD1-N 3.4Å; V576-S578 VanDerWaalsContact C-N 3.34Å; V576-S578 PolarHBondContact O-N 3.14Å; V576-I579 PolarHBondContact O-N 3.1Å; V576-R580 WeakPolarHBondContact O-CB 3.33Å; V576-R580 PolarHBondContact O-N 3.26Å
577S88.6Confident78.5Confident39 Ų3963.3 Ų63.327%0.27337%0.366SS..Hα-helixtrans-65-37.3177.1-178.90000112.7D574 R580 T581D574-S577 PolarHBondContact O-N 3.07Å; D574-S577 WeakPolarHBondContact OD1-CB 3.44Å; D574-S577 PolarHBondContact OD1-N 3.06Å; D574-S577 WeakPolarHBondContact OD2-CB 3.15Å; S577-R580 PolarHBondContact O-N 3.48Å; S577-T581 WeakPolarHBondContact O-CB 3.4Å; S577-T581 PolarHBondContact O-N 3.22Å; S577-T581 PolarHBondContact O-OG1 2.59Å
578S89.2Confident80.3Confident59 Ų5957 Ų5741%0.41335%0.349SS..Hα-helixtrans-62-47.5175.1-61.10000111.6D574 H575 V576 T581 H582D574-S578 PolarHBondContact O-N 3.02Å; D574-S578 VanDerWaalsContact O-N 3.09Å; D574-S578 PolarHBondContact O-OG 3.5Å; D574-S578 VanDerWaalsContact O-OG 3.1Å; H575-S578 PolarHBondContact O-N 3.35Å; V576-S578 VanDerWaalsContact C-N 3.34Å; V576-S578 PolarHBondContact O-N 3.14Å; S578-T581 PolarHBondContact O-N 2.96Å; S578-H582 PolarHBondContact O-N 2.88Å; S578-H582 VanDerWaalsContact O-N 3.1Å
579I93.1Very high82Confident5 Ų553.4 Ų53.43%0.02633%0.334CS..Hα-helixtrans-64.6-46.1177.3-62.1162.2000110.9L53 M556 N559 V563 H575 V576 T581 H582 L583 I695L53-I579 HydrophobicContact CD2-CB 4.36Å; L53-I579 HydrophobicContact CD2-CG2 3.95Å; M556-I579 HydrophobicContact CE-CB 4.37Å; M556-I579 HydrophobicContact CE-CD1 3.98Å; M556-I579 HydrophobicContact CE-CG2 3.53Å; M556-I579 HydrophobicContact SD-CG2 3.61Å; N559-I579 HydrophobicContact CB-CD1 4.44Å; N559-I579 HydrophobicContact CB-CG1 4.41Å; V563-I579 HydrophobicContact CG2-CG1 4.46Å; H575-I579 VanDerWaalsContact O-CG1 3.26Å; H575-I579 WeakPolarHBondContact O-CG1 3.32Å; H575-I579 PolarHBondContact O-N 2.82Å; V576-I579 PolarHBondContact O-N 3.1Å; I579-T581 VanDerWaalsContact C-N 3.35Å; I579-T581 PolarHBondContact O-N 3.15Å; I579-H582 WeakPolarHBondContact O-CB 3.28Å; I579-H582 PolarHBondContact O-N 3.26Å; I579-H582 VanDerWaalsContact O-N 3.09Å; I579-L583 HydrophobicContact CG2-CD1 4.27Å; I579-L583 HydrophobicContact CG2-CG 4.17Å; I579-L583 WeakPolarHBondContact O-CG 3.41Å; I579-L583 PolarHBondContact O-N 2.82Å; I579-I695 HydrophobicContact CB-CD1 3.97Å; I579-I695 HydrophobicContact CG1-CD1 3.46Å; I579-I695 VanDerWaalsContact CG1-CD1 3.46Å; I579-I695 HydrophobicContact CG2-CD1 4.24Å
580R93.1Very high84.1Confident92 Ų9251.5 Ų51.535%0.34732%0.322SS..Hα-helixtrans-53.9-51.1176.4-176.7-17474.1108.5-4.3111.8L53 V576 S577 H582 L583 D584L53-R580 HydrophobicContact CD2-CB 4Å; L53-R580 HydrophobicContact CG-CB 4.3Å; V576-R580 WeakPolarHBondContact O-CB 3.33Å; V576-R580 PolarHBondContact O-N 3.26Å; S577-R580 PolarHBondContact O-N 3.48Å; R580-H582 PolarHBondContact O-N 3.34Å; R580-L583 PolarHBondContact O-N 2.76Å; R580-L583 VanDerWaalsContact O-N 3.17Å; R580-D584 PolarHBondContact O-N 3.05Å
581T94.1Very high86.3Confident54 Ų5450.7 Ų50.733%0.33131%0.309SS..Hα-helixtrans-59.3-37179.3-58.10000111.7S577 S578 I579 K585S577-T581 WeakPolarHBondContact O-CB 3.4Å; S577-T581 PolarHBondContact O-N 3.22Å; S577-T581 PolarHBondContact O-OG1 2.59Å; S578-T581 PolarHBondContact O-N 2.96Å; I579-T581 VanDerWaalsContact C-N 3.35Å; I579-T581 PolarHBondContact O-N 3.15Å; T581-K585 WeakPolarHBondContact O-CG 3.23Å; T581-K585 PolarHBondContact O-N 3.34Å
582H95.3Very high88.4Confident42 Ų4249.2 Ų49.219%0.19429%0.293CS..Hα-helixtrans-67.8-48.5175.2-179.871.8000112S578 I579 R580 D584 K585 C586 K692 L693 L694 I695S578-H582 PolarHBondContact O-N 2.88Å; S578-H582 VanDerWaalsContact O-N 3.1Å; I579-H582 WeakPolarHBondContact O-CB 3.28Å; I579-H582 PolarHBondContact O-N 3.26Å; I579-H582 VanDerWaalsContact O-N 3.09Å; R580-H582 PolarHBondContact O-N 3.34Å; H582-D584 VanDerWaalsContact C-N 3.26Å; H582-D584 PolarHBondContact O-N 3.28Å; H582-K585 WeakPolarHBondContact O-CB 3.35Å; H582-K585 PolarHBondContact O-N 3.5Å; H582-K585 VanDerWaalsContact O-N 3.13Å; H582-C586 PolarHBondContact O-N 2.83Å; H582-C586 PolarHBondContact O-SG 2.58Å; H582-K692 PolarHBondContact NE2-O 3.42Å; H582-L693 VanDerWaalsContact NE2-C 3.33Å; H582-L693 PolarHBondContact NE2-O 3.15Å; H582-L694 PolarHBondContact CE1-O 3.18Å; H582-L694 PolarHBondContact NE2-O 2.75Å; H582-I695 HydrophobicContact CB-CD1 4.09Å; H582-I695 HydrophobicContact CB-CG1 3.82Å; H582-I695 VanDerWaalsContact CD2-CG1 3.46Å; H582-I695 WeakPolarHBondContact CD2-CG1 3.41Å
583L96.2Very high90.5Very high10 Ų1047.6 Ų47.65%0.05228%0.275CS..Hα-helixtrans-60.1-37.9177.6-63.3-172.5000112L53 M556 I579 R580 K585 C586 A587 A661 L665L53-L583 HydrophobicContact CD2-CD1 3.86Å; M556-L583 HydrophobicContact SD-CD1 3.86Å; I579-L583 HydrophobicContact CG2-CD1 4.27Å; I579-L583 HydrophobicContact CG2-CG 4.17Å; I579-L583 WeakPolarHBondContact O-CG 3.41Å; I579-L583 PolarHBondContact O-N 2.82Å; R580-L583 PolarHBondContact O-N 2.76Å; R580-L583 VanDerWaalsContact O-N 3.17Å; L583-K585 PolarHBondContact O-N 3.45Å; L583-C586 WeakPolarHBondContact O-CB 3.34Å; L583-C586 PolarHBondContact O-N 3.31Å; L583-A587 WeakPolarHBondContact O-CB 3.46Å; L583-A587 PolarHBondContact O-N 3.38Å; L583-A661 HydrophobicContact CD1-CB 3.91Å; L583-L665 HydrophobicContact CB-CD2 4.13Å; L583-L665 HydrophobicContact CD2-CD2 3.8Å; L583-L665 HydrophobicContact CG-CD2 4.38Å
584D96Very high92.4Very high43 Ų4344.5 Ų44.523%0.2324%0.241CC..Hα-helixtrans-60.8-44.5175.3-84.4-38000112.1R580 H582 C586 A587 D588 R664R580-D584 PolarHBondContact O-N 3.05Å; H582-D584 VanDerWaalsContact C-N 3.26Å; H582-D584 PolarHBondContact O-N 3.28Å; D584-C586 VanDerWaalsContact C-N 3.35Å; D584-A587 PolarHBondContact O-N 3.21Å; D584-D588 VanDerWaalsContact O-CG 3.3Å; D584-D588 PolarHBondContact O-N 3.2Å; D584-R664 VanDerWaalsContact CA-NH2 3.28Å; D584-R664 PolarHBondContact O-NH2 2.93Å; D584-R664 IonicContact OD1-CZ 3.8Å; D584-R664 IonicContact OD1-NE 3.46Å; D584-R664 IonicContact OD1-NH2 3.15Å; D584-R664 PolarHBondContact OD1-NH2 3.35Å
585K97.4Very high93.2Very high140 Ų14043.8 Ų43.861%0.60923%0.233SC*.Hα-helixtrans-63.9-39174.3-70.9171.4-178.5177.60112T581 H582 L583 A587 D588 S589T581-K585 WeakPolarHBondContact O-CG 3.23Å; T581-K585 PolarHBondContact O-N 3.34Å; H582-K585 WeakPolarHBondContact O-CB 3.35Å; H582-K585 PolarHBondContact O-N 3.5Å; H582-K585 VanDerWaalsContact O-N 3.13Å; L583-K585 PolarHBondContact O-N 3.45Å; K585-A587 VanDerWaalsContact C-N 3.33Å; K585-D588 PolarHBondContact O-N 3.22Å; K585-S589 WeakPolarHBondContact O-CB 3.47Å; K585-S589 PolarHBondContact O-N 2.86Å
586C97.7Very high93.6Very high12 Ų1248.9 Ų48.98%0.08126%0.257CS..Hα-helixtrans-63.2-41.2175.3-65.40000111.2H582 L583 D584 S589 A590 L665 K692 L693H582-C586 PolarHBondContact O-N 2.83Å; H582-C586 PolarHBondContact O-SG 2.58Å; L583-C586 WeakPolarHBondContact O-CB 3.34Å; L583-C586 PolarHBondContact O-N 3.31Å; D584-C586 VanDerWaalsContact C-N 3.35Å; C586-S589 PolarHBondContact O-N 3.47Å; C586-A590 VanDerWaalsContact O-CB 3.28Å; C586-A590 WeakPolarHBondContact O-CB 3.38Å; C586-A590 PolarHBondContact O-N 2.93Å; C586-L665 HydrophobicContact CB-CD1 3.78Å; C586-K692 PolarHBondContact SG-O 3.41Å; C586-K692 VanDerWaalsContact SG-O 3.34Å; C586-L693 HydrophobicContact CB-CD2 3.9Å
587A96.5Very high93.6Very high0 Ų050.5 Ų50.50%028%0.28CS..Hα-helixtrans-66.9-39.5177.700000111.7L583 D584 K585 A590 K591 R664 L665L583-A587 WeakPolarHBondContact O-CB 3.46Å; L583-A587 PolarHBondContact O-N 3.38Å; D584-A587 PolarHBondContact O-N 3.21Å; K585-A587 VanDerWaalsContact C-N 3.33Å; A587-A590 PolarHBondContact O-N 3.35Å; A587-K591 WeakPolarHBondContact O-CB 3.18Å; A587-K591 PolarHBondContact O-N 3.48Å; A587-R664 HydrophobicContact CB-CG 4.27Å; A587-R664 VanDerWaalsContact CB-CZ 3.43Å; A587-L665 HydrophobicContact CB-CB 3.98Å; A587-L665 HydrophobicContact CB-CD1 3.97Å
588D96Very high93.6Very high85 Ų8551.1 Ų51.146%0.45528%0.28SS..Hα-helixtrans-64.5-41.9173.3-67.2-24.7000111.9D584 K585 K591 S592 R664D584-D588 VanDerWaalsContact O-CG 3.3Å; D584-D588 PolarHBondContact O-N 3.2Å; K585-D588 PolarHBondContact O-N 3.22Å; D588-K591 PolarHBondContact O-N 2.86Å; D588-S592 WeakPolarHBondContact O-CB 3.47Å; D588-S592 PolarHBondContact O-N 3.29Å; D588-R664 IonicContact OD1-CZ 3.81Å; D588-R664 IonicContact OD1-NH1 3.68Å; D588-R664 PolarHBondContact OD1-NH1 3.46Å; D588-R664 IonicContact OD1-NH2 2.99Å
589S96.1Very high93.4Very high50 Ų5051.8 Ų51.835%0.3529%0.29SS..Hα-helixtrans-62.8-45.2174.8-1740000111.6K585 C586 S592 V593K585-S589 WeakPolarHBondContact O-CB 3.47Å; K585-S589 PolarHBondContact O-N 2.86Å; C586-S589 PolarHBondContact O-N 3.47Å; S589-S592 PolarHBondContact O-N 3.49Å; S589-V593 VanDerWaalsContact O-CG2 3.31Å; S589-V593 WeakPolarHBondContact O-CG2 3.32Å; S589-V593 PolarHBondContact O-N 2.92Å
590A95Very high92.7Very high0 Ų055.7 Ų55.70%032%0.315CS..Hα-helixtrans-58.7-48.5176.200000111.5C586 A587 S592 V593 Y594 W668 I669 L672 W689C586-A590 VanDerWaalsContact O-CB 3.28Å; C586-A590 WeakPolarHBondContact O-CB 3.38Å; C586-A590 PolarHBondContact O-N 2.93Å; A587-A590 PolarHBondContact O-N 3.35Å; A590-S592 PolarHBondContact O-N 2.91Å; A590-V593 PolarHBondContact O-N 3.16Å; A590-Y594 PolarHBondContact O-N 2.96Å; A590-Y594 VanDerWaalsContact O-N 3.1Å; A590-W668 HydrophobicContact CB-CB 3.69Å; A590-I669 HydrophobicContact CB-CG1 4.41Å; A590-L672 HydrophobicContact CB-CD1 3.65Å; A590-L672 WeakPolarHBondContact O-CD1 3.28Å; A590-W689 HydrophobicContact CB-CH2 4Å; A590-W689 HydrophobicContact CB-CZ3 4.05Å
591K94.2Very high92.2Very high35 Ų3553.7 Ų53.715%0.15232%0.315CS..Hα-helixtrans-58.1-48.1174.2-178-178175.3-167.10112.1E114 A587 D588 V593 Y594 Y595 W668E114-K591 IonicContact OE1-NZ 2.77Å; E114-K591 PolarHBondContact OE1-NZ 3.48Å; E114-K591 IonicContact OE2-NZ 3.22Å; E114-K591 PolarHBondContact OE2-NZ 3.18Å; A587-K591 WeakPolarHBondContact O-CB 3.18Å; A587-K591 PolarHBondContact O-N 3.48Å; D588-K591 PolarHBondContact O-N 2.86Å; K591-V593 PolarHBondContact O-N 3.3Å; K591-Y594 WeakPolarHBondContact O-CB 3.48Å; K591-Y594 PolarHBondContact O-N 3.39Å; K591-Y594 VanDerWaalsContact O-N 3.15Å; K591-Y595 HydrophobicContact CD-CE2 4.3Å; K591-Y595 VanDerWaalsContact CE-CZ 3.49Å; K591-Y595 VanDerWaalsContact CE-OH 3.3Å; K591-Y595 WeakPolarHBondContact CE-OH 3.39Å; K591-Y595 HydrophobicContact CG-CD2 4.42Å; K591-Y595 HydrophobicContact CG-CE2 4.06Å; K591-Y595 PolarHBondContact O-N 3.47Å; K591-Y595 VanDerWaalsContact O-N 3.13Å; K591-W668 HydrophobicContact CB-CD2 3.75Å; K591-W668 HydrophobicContact CB-CE3 4.24Å; K591-W668 HydrophobicContact CB-CG 3.95Å; K591-W668 HydrophobicContact CB-CZ2 4.36Å; K591-W668 HydrophobicContact CD-CH2 4.46Å; K591-W668 HydrophobicContact CD-CZ2 3.8Å; K591-W668 HydrophobicContact CG-CD2 4Å; K591-W668 HydrophobicContact CG-CE3 4.27Å; K591-W668 HydrophobicContact CG-CH2 4.03Å; K591-W668 HydrophobicContact CG-CZ2 3.72Å; K591-W668 HydrophobicContact CG-CZ3 4.29Å
592S93.9Very high91.9Very high65 Ų6552.7 Ų52.746%0.45531%0.307SS..Hα-helixtrans-61.3-42.7-178.9175.10000112.3D588 S589 A590 Y594 Y595 Q596D588-S592 WeakPolarHBondContact O-CB 3.47Å; D588-S592 PolarHBondContact O-N 3.29Å; S589-S592 PolarHBondContact O-N 3.49Å; A590-S592 PolarHBondContact O-N 2.91Å; S592-Y594 VanDerWaalsContact C-N 3.29Å; S592-Y594 PolarHBondContact O-N 3.46Å; S592-Y595 PolarHBondContact O-N 3.39Å; S592-Q596 PolarHBondContact O-N 2.96Å
593V92.9Very high91.8Very high39 Ų3951.6 Ų51.624%0.23630%0.304CS..Hα-helixtrans-64-37.5176.5174.50000110.7S589 A590 K591 Y595 Q596 L672S589-V593 VanDerWaalsContact O-CG2 3.31Å; S589-V593 WeakPolarHBondContact O-CG2 3.32Å; S589-V593 PolarHBondContact O-N 2.92Å; A590-V593 PolarHBondContact O-N 3.16Å; K591-V593 PolarHBondContact O-N 3.3Å; V593-Y595 PolarHBondContact O-N 2.75Å; V593-Q596 PolarHBondContact O-N 2.94Å; V593-L672 HydrophobicContact CB-CD2 4.02Å; V593-L672 HydrophobicContact CG1-CD2 3.68Å
594Y92Very high91.6Very high7 Ų752 Ų523%0.02731%0.305CS..Hα-helixtrans-62.9-43.9178.7-179.1-101000111.3A590 K591 S592 Q596 G597 N598 W668 R671 L672 N675A590-Y594 PolarHBondContact O-N 2.96Å; A590-Y594 VanDerWaalsContact O-N 3.1Å; K591-Y594 WeakPolarHBondContact O-CB 3.48Å; K591-Y594 PolarHBondContact O-N 3.39Å; K591-Y594 VanDerWaalsContact O-N 3.15Å; S592-Y594 VanDerWaalsContact C-N 3.29Å; S592-Y594 PolarHBondContact O-N 3.46Å; Y594-Q596 VanDerWaalsContact C-N 3.28Å; Y594-Q596 PolarHBondContact O-N 3.49Å; Y594-G597 PolarHBondContact O-N 3Å; Y594-N598 HydrophobicContact CD1-CB 4.16Å; Y594-N598 HydrophobicContact CD2-CB 4.47Å; Y594-N598 HydrophobicContact CE1-CB 3.71Å; Y594-N598 HydrophobicContact CE2-CB 4.05Å; Y594-N598 WeakPolarHBondContact O-CB 3.31Å; Y594-N598 PolarHBondContact O-N 3.43Å; Y594-N598 PolarHBondContact O-ND2 3.33Å; Y594-W668 HydrophobicContact CD1-CE3 4.31Å; Y594-W668 AromaticContact CD1-CZ3 3.7Å; Y594-W668 HydrophobicContact CD1-CZ3 3.7Å; Y594-W668 HydrophobicContact CE1-CZ3 4.21Å; Y594-W668 HydrophobicContact CG-CE3 4.45Å; Y594-W668 HydrophobicContact CG-CZ3 4.27Å; Y594-R671 HydrophobicContact CD2-CB 3.89Å; Y594-R671 HydrophobicContact CE2-CB 3.93Å; Y594-R671 HydrophobicContact CG-CB 4.39Å; Y594-R671 PolarHBondContact OH-NH2 2.91Å; Y594-L672 HydrophobicContact CD2-CD2 4.4Å; Y594-N675 WeakPolarHBondContact CE2-ND2 3.34Å
595Y90.9Very high91.5Very high63 Ų6352.4 Ų52.425%0.24731%0.306CS..Hα-helixtrans-71.7-13.9-179.4-69.8-10.2000115.5E114 K591 S592 V593 G597 N598 P600 W668E114-Y595 WeakPolarHBondContact OE1-CE2 3.41Å; E114-Y595 PolarHBondContact OE1-OH 3Å; K591-Y595 HydrophobicContact CD-CE2 4.3Å; K591-Y595 VanDerWaalsContact CE-CZ 3.49Å; K591-Y595 VanDerWaalsContact CE-OH 3.3Å; K591-Y595 WeakPolarHBondContact CE-OH 3.39Å; K591-Y595 HydrophobicContact CG-CD2 4.42Å; K591-Y595 HydrophobicContact CG-CE2 4.06Å; K591-Y595 PolarHBondContact O-N 3.47Å; K591-Y595 VanDerWaalsContact O-N 3.13Å; S592-Y595 PolarHBondContact O-N 3.39Å; V593-Y595 PolarHBondContact O-N 2.75Å; Y595-G597 PolarHBondContact O-N 3.07Å; Y595-N598 WeakPolarHBondContact CA-O 2.94Å; Y595-P600 HydrophobicContact CD1-CG 4.35Å; Y595-P600 HydrophobicContact CD2-CG 4.42Å; Y595-P600 VanDerWaalsContact CE1-CA 3.5Å; Y595-P600 HydrophobicContact CE1-CB 3.9Å; Y595-P600 HydrophobicContact CE1-CG 4.08Å; Y595-P600 HydrophobicContact CE2-CB 4.27Å; Y595-P600 HydrophobicContact CE2-CG 4.08Å; Y595-W668 HydrophobicContact CE1-CH2 4Å; Y595-W668 HydrophobicContact CE1-CZ3 4.16Å
596Q91.2Very high91.3Very high153 Ų15345.8 Ų45.872%0.71528%0.277SS*.THydrogen-bonded Turntrans-65-21.8174.6-73.8172.8-500113S592 V593 Y594S592-Q596 PolarHBondContact O-N 2.96Å; V593-Q596 PolarHBondContact O-N 2.94Å; Y594-Q596 VanDerWaalsContact C-N 3.28Å; Y594-Q596 PolarHBondContact O-N 3.49Å
597G87.1Confident91.2Very high67 Ų6745.2 Ų45.269%0.69127%0.273SS*.THydrogen-bonded Turntrans-132.63.5179.600000114.9Y594 Y595Y594-G597 PolarHBondContact O-N 3Å; Y595-G597 PolarHBondContact O-N 3.07Å
598N87.7Confident91.2Very high52 Ų5245.4 Ų45.428%0.27827%0.274SS..SBendtrans-139.9144.8-173.4-57.4-96.3000110.8Y594 Y595 N675Y594-N598 HydrophobicContact CD1-CB 4.16Å; Y594-N598 HydrophobicContact CD2-CB 4.47Å; Y594-N598 HydrophobicContact CE1-CB 3.71Å; Y594-N598 HydrophobicContact CE2-CB 4.05Å; Y594-N598 WeakPolarHBondContact O-CB 3.31Å; Y594-N598 PolarHBondContact O-N 3.43Å; Y594-N598 PolarHBondContact O-ND2 3.33Å; Y595-N598 WeakPolarHBondContact CA-O 2.94Å; N598-N675 VanDerWaalsContact CG-ND2 3.33Å; N598-N675 PolarHBondContact ND2-ND2 3.44Å; N598-N675 PolarHBondContact OD1-ND2 3.23Å
599A84.7Confident91.3Very high74 Ų7441.4 Ų41.461%0.61225%0.253SS*.  trans-66.7146.7170.600000111S601A599-S601 PolarHBondContact O-N 2.8Å; A599-S601 PolarHBondContact O-OG 3.2Å
600P78.6Confident91.4Very high86 Ų8639.1 Ų39.156%0.55824%0.237SC*.  trans-56.1113.1170-24.234.4000111.4Y595Y595-P600 HydrophobicContact CD1-CG 4.35Å; Y595-P600 HydrophobicContact CD2-CG 4.42Å; Y595-P600 VanDerWaalsContact CE1-CA 3.5Å; Y595-P600 HydrophobicContact CE1-CB 3.9Å; Y595-P600 HydrophobicContact CE1-CG 4.08Å; Y595-P600 HydrophobicContact CE2-CB 4.27Å; Y595-P600 HydrophobicContact CE2-CG 4.08Å
601S83.1Confident91.5Very high50 Ų5039.2 Ų39.235%0.3524%0.237SC..  trans-144.9139.4174.750.40000109.8A599A599-S601 PolarHBondContact O-N 2.8Å; A599-S601 PolarHBondContact O-OG 3.2Å
602F87.9Confident91.7Very high34 Ų3437.8 Ų37.815%0.14923%0.231CC..  trans-93.1141.6170.5173.7-89.8000109.2E47 Y48 L106 E109 L116 M417 I604 V607 Y667E47-F602 HydrophobicContact CB-CE2 4.38Å; E47-F602 HydrophobicContact CB-CZ 4.5Å; E47-F602 HydrophobicContact CG-CE2 4.39Å; E47-F602 WeakPolarHBondContact O-CZ 3.42Å; Y48-F602 HydrophobicContact CD1-CE2 4.04Å; Y48-F602 HydrophobicContact CE1-CD2 4.07Å; Y48-F602 AromaticContact CE1-CE2 3.9Å; Y48-F602 HydrophobicContact CE1-CE2 3.9Å; L106-F602 HydrophobicContact CD2-CD1 4.39Å; L106-F602 HydrophobicContact CD2-CE1 4.2Å; E109-F602 HydrophobicContact CG-CB 4.5Å; E109-F602 VanDerWaalsContact OE1-CA 3.22Å; E109-F602 WeakPolarHBondContact OE1-CA 3.22Å; E109-F602 WeakPolarHBondContact OE1-CB 3.26Å; E109-F602 PolarHBondContact OE1-N 2.87Å; E109-F602 VanDerWaalsContact OE1-O 3.07Å; L116-F602 HydrophobicContact CD1-CD1 3.73Å; L116-F602 HydrophobicContact CD1-CD2 4.43Å; L116-F602 HydrophobicContact CD1-CE1 3.53Å; L116-F602 HydrophobicContact CD1-CE2 4.26Å; L116-F602 HydrophobicContact CD1-CG 4.17Å; L116-F602 HydrophobicContact CD1-CZ 3.81Å; M417-F602 HydrophobicContact CE-CZ 4.44Å; F602-I604 HydrophobicContact CE1-CB 4.07Å; F602-I604 HydrophobicContact CE1-CD1 3.94Å; F602-I604 HydrophobicContact CZ-CD1 4.3Å; F602-V607 HydrophobicContact CE2-CG2 3.81Å; F602-V607 HydrophobicContact CZ-CB 4.38Å; F602-V607 HydrophobicContact CZ-CG2 3.64Å; F602-Y667 WeakPolarHBondContact CA-OH 3.04Å; F602-Y667 HydrophobicContact CD2-CE2 4.41Å; F602-Y667 HydrophobicContact CE2-CE2 4.45Å
603C91.7Very high91.9Very high19 Ų1934.7 Ų34.713%0.12821%0.209CC..  trans-122.695.5-173.3-178.70000108.5E605 D606 Y667 R671C603-E605 PolarHBondContact O-N 3.46Å; C603-D606 WeakPolarHBondContact CB-OD2 3.49Å; C603-D606 PolarHBondContact O-N 3.19Å; C603-D606 VanDerWaalsContact O-N 3.15Å; C603-D606 PolarHBondContact SG-OD2 3.3Å; C603-Y667 HydrophobicContact CB-CE2 4.24Å; C603-Y667 PolarHBondContact N-OH 3.44Å; C603-R671 PolarHBondContact SG-NH1 3.02Å
604I92.8Very high92.2Very high17 Ų1733 Ų339%0.08720%0.199CC..Hα-helixtrans-61.5-29.5-179.2-170.162.1000112.3L106 M417 E418 D419 F602 D606 V607 H608L106-I604 HydrophobicContact CD1-CG1 4.24Å; L106-I604 HydrophobicContact CD2-CB 4.22Å; L106-I604 HydrophobicContact CD2-CD1 4.48Å; L106-I604 HydrophobicContact CD2-CG1 4.41Å; M417-I604 HydrophobicContact CE-CD1 4.16Å; E418-I604 VanDerWaalsContact C-CG1 3.49Å; E418-I604 WeakPolarHBondContact O-CG1 3.03Å; D419-I604 HydrophobicContact CB-CG1 4.18Å; D419-I604 HydrophobicContact CB-CG2 4.02Å; F602-I604 HydrophobicContact CE1-CB 4.07Å; F602-I604 HydrophobicContact CE1-CD1 3.94Å; F602-I604 HydrophobicContact CZ-CD1 4.3Å; I604-D606 VanDerWaalsContact C-N 3.27Å; I604-D606 PolarHBondContact O-N 2.85Å; I604-V607 HydrophobicContact CD1-CB 4.39Å; I604-V607 PolarHBondContact O-N 3.24Å; I604-H608 WeakPolarHBondContact O-CB 3.49Å; I604-H608 PolarHBondContact O-N 2.94Å
605E93.8Very high92.4Very high53 Ų5333 Ų3325%0.24820%0.199CC..Hα-helixtrans-60.3-34176.4-63.3-177.9174.800112.9K536 C603 Q609K536-E605 WeakPolarHBondContact CE-OE2 3.47Å; K536-E605 IonicContact NZ-OE2 3.18Å; K536-E605 PolarHBondContact NZ-OE2 3.47Å; C603-E605 PolarHBondContact O-N 3.46Å; E605-Q609 WeakPolarHBondContact O-CG 3.23Å; E605-Q609 PolarHBondContact O-N 3.26Å; E605-Q609 PolarHBondContact O-NE2 3.33Å
606D94.5Very high92.8Very high1 Ų130.1 Ų30.11%0.00519%0.189CC..Hα-helixtrans-74.2-40.7177.6-71.2-44.1000111C603 I604 Q609 L610 Y667 R671 Q674C603-D606 WeakPolarHBondContact CB-OD2 3.49Å; C603-D606 PolarHBondContact O-N 3.19Å; C603-D606 VanDerWaalsContact O-N 3.15Å; C603-D606 PolarHBondContact SG-OD2 3.3Å; I604-D606 VanDerWaalsContact C-N 3.27Å; I604-D606 PolarHBondContact O-N 2.85Å; D606-Q609 PolarHBondContact O-N 3.18Å; D606-L610 WeakPolarHBondContact O-CG 3.43Å; D606-L610 PolarHBondContact O-N 3.31Å; D606-L610 VanDerWaalsContact O-N 3.07Å; D606-Y667 HydrophobicContact CB-CD2 3.99Å; D606-Y667 HydrophobicContact CB-CE2 3.97Å; D606-R671 WeakPolarHBondContact OD2-CD 3.23Å; D606-R671 IonicContact OD2-CZ 2.75Å; D606-R671 IonicContact OD2-NE 2.93Å; D606-R671 IonicContact OD2-NH1 3.85Å; D606-R671 PolarHBondContact OD2-NH1 3.27Å; D606-Q674 PolarHBondContact OD1-NE2 2.72Å; D606-Q674 PolarHBondContact OD2-NE2 2.86Å
607V95.4Very high93.1Very high0 Ų023 Ų230%016%0.156CC..Hα-helixtrans-67.4-38.2175.5178.70000111.2E47 Y48 M417 F602 I604 L610 N611 Y667E47-V607 WeakPolarHBondContact O-CG1 3.39Å; Y48-V607 HydrophobicContact CD1-CG2 4.49Å; M417-V607 HydrophobicContact CB-CG1 3.83Å; F602-V607 HydrophobicContact CE2-CG2 3.81Å; F602-V607 HydrophobicContact CZ-CB 4.38Å; F602-V607 HydrophobicContact CZ-CG2 3.64Å; I604-V607 HydrophobicContact CD1-CB 4.39Å; I604-V607 PolarHBondContact O-N 3.24Å; V607-L610 PolarHBondContact O-N 2.87Å; V607-N611 PolarHBondContact O-N 3.5Å; V607-Y667 HydrophobicContact CG2-CD2 3.66Å; V607-Y667 HydrophobicContact CG2-CE2 3.94Å
608H96.4Very high93.6Very high3 Ų320.4 Ų20.41%0.01413%0.127CC..Hα-helixtrans-56.1-52173.9-178107.8000110.4D419 L426 H532 I604 L610 N611 E612D419-H608 HydrophobicContact CB-CB 4.27Å; D419-H608 PolarHBondContact N-ND1 3Å; D419-H608 VanDerWaalsContact N-ND1 3.19Å; L426-H608 VanDerWaalsContact CA-CE1 3.45Å; L426-H608 WeakPolarHBondContact CA-CE1 3.27Å; L426-H608 PolarHBondContact N-CE1 3.46Å; H532-H608 AromaticContact CE1-CD2 3.5Å; H532-H608 AromaticContact CE1-CE1 3.89Å; H532-H608 AromaticContact CE1-NE2 3.4Å; H532-H608 PolarHBondContact CE1-NE2 3.09Å; H532-H608 AromaticContact ND1-CD2 3.4Å; H532-H608 PolarHBondContact ND1-CD2 3.45Å; H532-H608 AromaticContact ND1-NE2 3.49Å; H532-H608 PolarHBondContact ND1-NE2 3.22Å; I604-H608 WeakPolarHBondContact O-CB 3.49Å; I604-H608 PolarHBondContact O-N 2.94Å; H608-L610 VanDerWaalsContact C-N 3.33Å; H608-L610 PolarHBondContact O-N 2.82Å; H608-N611 CarbonylContact O-C 3.53Å; H608-N611 PolarHBondContact O-N 3.37Å; H608-N611 VanDerWaalsContact O-N 3.11Å; H608-E612 IonicContact CD2-OE1 3.62Å; H608-E612 PolarHBondContact CD2-OE1 3.37Å; H608-E612 IonicContact NE2-OE1 3.56Å; H608-E612 PolarHBondContact NE2-OE1 2.98Å; H608-E612 WeakPolarHBondContact O-CG 3.48Å; H608-E612 PolarHBondContact O-N 3.47Å
609Q97.6Very high94.1Very high2 Ų218 Ų181%0.00911%0.114CC..Hα-helixtrans-60.2-38.7176.7-77.6173.188.300113.4W526 H532 V545 E605 D606 N611 E612 L613W526-Q609 HydrophobicContact CZ2-CB 3.94Å; W526-Q609 HydrophobicContact CZ2-CG 4.09Å; H532-Q609 HydrophobicContact CB-CG 3.59Å; V545-Q609 HydrophobicContact CB-CB 4.37Å; V545-Q609 HydrophobicContact CG1-CB 4.07Å; V545-Q609 HydrophobicContact CG2-CB 4.05Å; E605-Q609 WeakPolarHBondContact O-CG 3.23Å; E605-Q609 PolarHBondContact O-N 3.26Å; E605-Q609 PolarHBondContact O-NE2 3.33Å; D606-Q609 PolarHBondContact O-N 3.18Å; Q609-N611 VanDerWaalsContact C-N 3.32Å; Q609-N611 PolarHBondContact O-N 2.91Å; Q609-E612 WeakPolarHBondContact O-CB 3.38Å; Q609-E612 PolarHBondContact O-N 3.49Å; Q609-L613 PolarHBondContact O-N 2.76Å; Q609-L613 VanDerWaalsContact O-N 3.09Å
610L97.8Very high94.7Very high2 Ų214.5 Ų14.51%0.019%0.085CC..Hα-helixtrans-64-38.5174.7-70.9172.1000111.8V545 D606 V607 H608 L613 Q614 L666V545-L610 HydrophobicContact CG1-CD2 3.69Å; V545-L610 HydrophobicContact CG1-CG 4.16Å; D606-L610 WeakPolarHBondContact O-CG 3.43Å; D606-L610 PolarHBondContact O-N 3.31Å; D606-L610 VanDerWaalsContact O-N 3.07Å; V607-L610 PolarHBondContact O-N 2.87Å; H608-L610 VanDerWaalsContact C-N 3.33Å; H608-L610 PolarHBondContact O-N 2.82Å; L610-L613 WeakPolarHBondContact O-CB 3.34Å; L610-L613 PolarHBondContact O-N 3.23Å; L610-Q614 WeakPolarHBondContact O-CG 3.28Å; L610-Q614 PolarHBondContact O-N 3.3Å; L610-Q614 VanDerWaalsContact O-N 3.13Å; L610-L666 HydrophobicContact CD1-CB 4.04Å; L610-L666 HydrophobicContact CD2-CB 3.89Å; L610-L666 HydrophobicContact CD2-CD1 4.25Å
611N97.9Very high95.6Very high1 Ų113.1 Ų13.11%0.0057%0.071CC..Hα-helixtrans-76.5-30.3177.2-75.6-34.4000113.1G49 V416 M417 L426 V607 H608 Q609 L613 Q614 S615G49-N611 WeakPolarHBondContact CA-OD1 3.45Å; V416-N611 HydrophobicContact CG2-CB 4.25Å; M417-N611 PolarHBondContact O-ND2 3.22Å; L426-N611 HydrophobicContact CD2-CB 3.77Å; V607-N611 PolarHBondContact O-N 3.5Å; H608-N611 CarbonylContact O-C 3.53Å; H608-N611 PolarHBondContact O-N 3.37Å; H608-N611 VanDerWaalsContact O-N 3.11Å; Q609-N611 VanDerWaalsContact C-N 3.32Å; Q609-N611 PolarHBondContact O-N 2.91Å; N611-L613 VanDerWaalsContact C-N 3.33Å; N611-Q614 PolarHBondContact O-N 3.45Å; N611-Q614 PolarHBondContact OD1-NE2 3.46Å; N611-S615 PolarHBondContact O-N 2.95Å
612E98.1Very high96.3Very high6 Ų610.9 Ų10.93%0.0285%0.054CC..Hα-helixtrans-55.7-49.8165.8-71.5176.7154.300110.1L426 C429 W526 S530 H532 H608 Q609 Q614 S615 M616L426-E612 HydrophobicContact CB-CG 3.95Å; C429-E612 HydrophobicContact CB-CB 4.31Å; C429-E612 HydrophobicContact CB-CG 4.12Å; W526-E612 PolarHBondContact NE1-OE2 3.46Å; S530-E612 WeakPolarHBondContact CB-OE2 3.44Å; S530-E612 VanDerWaalsContact OG-CD 3.31Å; S530-E612 PolarHBondContact OG-OE1 3.3Å; S530-E612 PolarHBondContact OG-OE2 2.87Å; H532-E612 IonicContact ND1-OE1 2.68Å; H608-E612 IonicContact CD2-OE1 3.62Å; H608-E612 PolarHBondContact CD2-OE1 3.37Å; H608-E612 IonicContact NE2-OE1 3.56Å; H608-E612 PolarHBondContact NE2-OE1 2.98Å; H608-E612 WeakPolarHBondContact O-CG 3.48Å; H608-E612 PolarHBondContact O-N 3.47Å; Q609-E612 WeakPolarHBondContact O-CB 3.38Å; Q609-E612 PolarHBondContact O-N 3.49Å; E612-Q614 VanDerWaalsContact C-N 3.29Å; E612-Q614 PolarHBondContact O-N 3.22Å; E612-S615 PolarHBondContact O-N 2.95Å; E612-M616 WeakPolarHBondContact O-CB 3.47Å; E612-M616 VanDerWaalsContact O-CG 3.23Å; E612-M616 WeakPolarHBondContact O-CG 3.42Å; E612-M616 PolarHBondContact O-N 3.14Å
613L98.5Very high96.8Very high0 Ų09.2 Ų9.20%05%0.047CC..Hα-helixtrans-59-38.5177.5-82.6159000112.7L522 L523 W526 V545 L549 Q609 L610 N611 A617 F660L522-L613 HydrophobicContact CD1-CD2 4.44Å; L522-L613 HydrophobicContact CG-CD2 4.27Å; L523-L613 HydrophobicContact CD2-CD2 4.21Å; W526-L613 HydrophobicContact CB-CD2 3.65Å; W526-L613 HydrophobicContact CB-CG 4.37Å; W526-L613 HydrophobicContact CD2-CD1 3.98Å; W526-L613 HydrophobicContact CD2-CD2 3.49Å; W526-L613 VanDerWaalsContact CD2-CD2 3.49Å; W526-L613 HydrophobicContact CD2-CG 3.57Å; W526-L613 HydrophobicContact CE3-CD1 4.16Å; W526-L613 HydrophobicContact CE3-CD2 3.77Å; W526-L613 HydrophobicContact CE3-CG 4.11Å; W526-L613 HydrophobicContact CG-CD2 3.43Å; W526-L613 VanDerWaalsContact CG-CD2 3.43Å; W526-L613 HydrophobicContact CG-CG 3.66Å; W526-L613 HydrophobicContact CH2-CD1 4.18Å; W526-L613 HydrophobicContact CZ2-CD1 4.02Å; W526-L613 HydrophobicContact CZ2-CG 4.33Å; W526-L613 HydrophobicContact CZ3-CD1 4.25Å; V545-L613 HydrophobicContact CG1-CD1 3.62Å; L549-L613 HydrophobicContact CD2-CB 4.27Å; L549-L613 HydrophobicContact CD2-CD1 3.77Å; L549-L613 HydrophobicContact CD2-CD2 3.77Å; L549-L613 HydrophobicContact CD2-CG 4.15Å; Q609-L613 PolarHBondContact O-N 2.76Å; Q609-L613 VanDerWaalsContact O-N 3.09Å; L610-L613 WeakPolarHBondContact O-CB 3.34Å; L610-L613 PolarHBondContact O-N 3.23Å; N611-L613 VanDerWaalsContact C-N 3.33Å; L613-A617 VanDerWaalsContact O-CB 3.29Å; L613-A617 WeakPolarHBondContact O-CB 3.19Å; L613-A617 PolarHBondContact O-N 3.27Å; L613-F660 HydrophobicContact CB-CE1 4.03Å; L613-F660 HydrophobicContact CB-CZ 4.19Å
614Q98.2Very high97.1Very high4 Ų48.6 Ų8.62%0.0194%0.043CC..Hα-helixtrans-65.1-46.3175.1-70.9-176.153.700112.2G49 Y52 L124 L610 N611 E612 A617 S618 F660G49-Q614 PolarHBondContact O-NE2 3.22Å; G49-Q614 PolarHBondContact O-OE1 3.33Å; Y52-Q614 PolarHBondContact OH-OE1 3.43Å; L124-Q614 HydrophobicContact CD1-CB 3.76Å; L124-Q614 HydrophobicContact CD1-CG 3.64Å; L124-Q614 HydrophobicContact CD2-CB 4.34Å; L124-Q614 HydrophobicContact CG-CB 3.92Å; L124-Q614 HydrophobicContact CG-CG 4.18Å; L610-Q614 WeakPolarHBondContact O-CG 3.28Å; L610-Q614 PolarHBondContact O-N 3.3Å; L610-Q614 VanDerWaalsContact O-N 3.13Å; N611-Q614 PolarHBondContact O-N 3.45Å; N611-Q614 PolarHBondContact OD1-NE2 3.46Å; E612-Q614 VanDerWaalsContact C-N 3.29Å; E612-Q614 PolarHBondContact O-N 3.22Å; Q614-A617 PolarHBondContact O-N 3.41Å; Q614-S618 PolarHBondContact O-N 3.44Å; Q614-F660 HydrophobicContact CB-CE2 4.49Å; Q614-F660 HydrophobicContact CB-CZ 4.31Å; Q614-F660 HydrophobicContact CG-CD1 3.61Å; Q614-F660 HydrophobicContact CG-CD2 3.95Å; Q614-F660 HydrophobicContact CG-CE1 3.53Å; Q614-F660 HydrophobicContact CG-CE2 3.88Å; Q614-F660 HydrophobicContact CG-CG 3.82Å; Q614-F660 HydrophobicContact CG-CZ 3.67Å
615S97.3Very high97.2Very high5 Ų58.1 Ų8.14%0.0354%0.041CC..Hα-helixtrans-60.3-45.2174.8-78.50000111.5L426 D427 N611 E612 A617 S618 G619L426-S615 WeakPolarHBondContact CD1-OG 3.48Å; D427-S615 PolarHBondContact OD1-OG 3.22Å; N611-S615 PolarHBondContact O-N 2.95Å; E612-S615 PolarHBondContact O-N 2.95Å; S615-A617 PolarHBondContact O-N 3.46Å; S615-S618 PolarHBondContact O-N 3.42Å; S615-G619 PolarHBondContact O-N 2.91Å
616M97.9Very high97.3Very high4 Ų45.6 Ų5.62%0.023%0.03CC..Hα-helixtrans-60.6-41.8175.8-69.9-67.6-63.400112.2M430 M433 L522 L525 W526 E612 G619 L620M430-M616 HydrophobicContact CG-CG 4.39Å; M430-M616 HydrophobicContact CG-SD 3.73Å; M430-M616 HydrophobicContact SD-CB 4.45Å; M430-M616 HydrophobicContact SD-CE 4.48Å; M430-M616 HydrophobicContact SD-CG 4.25Å; M430-M616 HydrophobicContact SD-SD 3.36Å; M433-M616 HydrophobicContact CE-CE 3.71Å; M433-M616 HydrophobicContact CE-SD 4.44Å; L522-M616 HydrophobicContact CD1-CB 3.64Å; L525-M616 HydrophobicContact CB-CE 3.69Å; W526-M616 HydrophobicContact CB-CG 4.21Å; E612-M616 WeakPolarHBondContact O-CB 3.47Å; E612-M616 VanDerWaalsContact O-CG 3.23Å; E612-M616 WeakPolarHBondContact O-CG 3.42Å; E612-M616 PolarHBondContact O-N 3.14Å; M616-G619 PolarHBondContact O-N 3.08Å; M616-L620 WeakPolarHBondContact O-CB 3.45Å; M616-L620 PolarHBondContact O-N 2.79Å
617A98.3Very high97.3Very high3 Ų35.6 Ų5.63%0.0253%0.03CC..Hα-helixtrans-65-46.4178.800000111.8L522 L613 Q614 S615 L620 K621 L656 F660L522-A617 HydrophobicContact CD1-CB 4.01Å; L522-A617 HydrophobicContact CD2-CB 3.84Å; L613-A617 VanDerWaalsContact O-CB 3.29Å; L613-A617 WeakPolarHBondContact O-CB 3.19Å; L613-A617 PolarHBondContact O-N 3.27Å; Q614-A617 PolarHBondContact O-N 3.41Å; S615-A617 PolarHBondContact O-N 3.46Å; A617-L620 PolarHBondContact O-N 2.93Å; A617-K621 WeakPolarHBondContact O-CG 3.32Å; A617-K621 PolarHBondContact O-N 2.84Å; A617-L656 HydrophobicContact CB-CD2 3.89Å; A617-F660 HydrophobicContact CB-CE2 3.93Å; A617-F660 HydrophobicContact CB-CZ 4.18Å
618S97.7Very high97.2Very high12 Ų127.1 Ų7.18%0.0844%0.037CC..Hα-helixtrans-63.5-43.3176.8-173.30000111.8N127 Q614 S615 H622N127-S618 PolarHBondContact ND2-OG 3.11Å; Q614-S618 PolarHBondContact O-N 3.44Å; S615-S618 PolarHBondContact O-N 3.42Å; S618-H622 PolarHBondContact O-N 2.87Å; S618-H622 VanDerWaalsContact O-N 3.09Å
619G97.9Very high97.1Very high1 Ų17.1 Ų7.11%0.014%0.037CC..Hα-helixtrans-64.2-43177.900000113S615 M616 H622 L623S615-G619 PolarHBondContact O-N 2.91Å; M616-G619 PolarHBondContact O-N 3.08Å; G619-H622 PolarHBondContact O-N 2.88Å; G619-L623 WeakPolarHBondContact O-CB 3.34Å; G619-L623 PolarHBondContact O-N 3.25Å
620L98Very high96.9Very high1 Ų17 Ų71%0.0054%0.037CC..Hα-helixtrans-68-39.6179.9-175.758.4000111.8M433 F499 I521 L522 L525 M616 A617 L623 V624 F653M433-L620 HydrophobicContact CE-CB 4.03Å; M433-L620 HydrophobicContact CE-CD1 4.22Å; M433-L620 HydrophobicContact SD-CB 4.21Å; M433-L620 PolarHBondContact SD-N 3.07Å; M433-L620 VanDerWaalsContact SD-N 3.35Å; F499-L620 HydrophobicContact CE1-CD1 4.44Å; I521-L620 HydrophobicContact CG2-CD2 3.97Å; L522-L620 HydrophobicContact CB-CD2 4.23Å; L525-L620 HydrophobicContact CD1-CD1 4.08Å; L525-L620 HydrophobicContact CD1-CD2 4.4Å; M616-L620 WeakPolarHBondContact O-CB 3.45Å; M616-L620 PolarHBondContact O-N 2.79Å; A617-L620 PolarHBondContact O-N 2.93Å; L620-L623 PolarHBondContact O-N 3.01Å; L620-V624 HydrophobicContact CD1-CG2 4.48Å; L620-V624 WeakPolarHBondContact O-CG2 3.38Å; L620-V624 PolarHBondContact O-N 2.88Å; L620-F653 HydrophobicContact CD2-CE1 3.67Å; L620-F653 HydrophobicContact CD2-CZ 4.13Å; L620-F653 HydrophobicContact CG-CE1 3.78Å; L620-F653 HydrophobicContact CG-CZ 3.75Å
621K97.7Very high96.7Very high58 Ų587 Ų725%0.2524%0.037SC..Hα-helixtrans-59.4-46.2172.1-74.9-17882.9175.60111.2E131 A617 V624 A625 F653 L656E131-K621 IonicContact OE1-NZ 4Å; E131-K621 PolarHBondContact OE1-NZ 2.58Å; A617-K621 WeakPolarHBondContact O-CG 3.32Å; A617-K621 PolarHBondContact O-N 2.84Å; K621-V624 PolarHBondContact O-N 3.05Å; K621-A625 WeakPolarHBondContact O-CB 3.3Å; K621-A625 PolarHBondContact O-N 3.39Å; K621-F653 HydrophobicContact CB-CD2 4.49Å; K621-F653 HydrophobicContact CD-CB 4.14Å; K621-F653 HydrophobicContact CD-CD2 4.41Å; K621-F653 HydrophobicContact CD-CG 4.23Å; K621-F653 HydrophobicContact CG-CB 4.12Å; K621-F653 HydrophobicContact CG-CD1 4.16Å; K621-F653 HydrophobicContact CG-CD2 3.56Å; K621-F653 HydrophobicContact CG-CE2 3.97Å; K621-F653 HydrophobicContact CG-CG 3.65Å; K621-F653 HydrophobicContact CG-CZ 4.44Å; K621-L656 HydrophobicContact CD-CD1 4.35Å; K621-L656 HydrophobicContact CD-CD2 4.1Å; K621-L656 HydrophobicContact CD-CG 4.21Å
622H97.9Very high96.4Very high2 Ų27.2 Ų7.21%0.0094%0.038CC..Hα-helixtrans-61.9-45.4176.9172.470.2000112.2L397 V398 L401 L437 S618 G619 V624 A625 L626L397-H622 WeakPolarHBondContact CA-ND1 3.46Å; V398-H622 HydrophobicContact CB-CB 4.48Å; V398-H622 HydrophobicContact CG2-CB 4.12Å; V398-H622 PolarHBondContact N-ND1 2.92Å; V398-H622 VanDerWaalsContact N-ND1 3.12Å; L401-H622 HydrophobicContact CD1-CB 4.02Å; L437-H622 WeakPolarHBondContact CD2-CD2 3.45Å; S618-H622 PolarHBondContact O-N 2.87Å; S618-H622 VanDerWaalsContact O-N 3.09Å; G619-H622 PolarHBondContact O-N 2.88Å; H622-V624 PolarHBondContact O-N 3.48Å; H622-A625 PolarHBondContact O-N 2.9Å; H622-L626 WeakPolarHBondContact O-CB 3.36Å; H622-L626 PolarHBondContact O-N 3.05Å
623L97.9Very high96.1Very high0 Ų07.2 Ų7.20%04%0.038CC..Hα-helixtrans-59.4-48.4177.3177.162.8000111.6M433 V436 L437 L440 F498 L503 G619 L620 A625 L626 I627M433-L623 HydrophobicContact CG-CD2 4.07Å; V436-L623 HydrophobicContact CG1-CD1 4.08Å; L437-L623 HydrophobicContact CD2-CB 3.86Å; L437-L623 HydrophobicContact CD2-CD1 3.69Å; L437-L623 HydrophobicContact CD2-CG 4.38Å; L437-L623 HydrophobicContact CG-CD1 4.4Å; L440-L623 HydrophobicContact CD1-CD1 3.67Å; F498-L623 HydrophobicContact CE1-CD1 4.04Å; F498-L623 HydrophobicContact CE1-CD2 4.39Å; F498-L623 HydrophobicContact CE1-CG 4.44Å; F498-L623 HydrophobicContact CZ-CD1 4.11Å; L503-L623 HydrophobicContact CD1-CD2 3.81Å; L503-L623 HydrophobicContact CD2-CD2 4.28Å; L503-L623 HydrophobicContact CG-CD2 4.47Å; G619-L623 WeakPolarHBondContact O-CB 3.34Å; G619-L623 PolarHBondContact O-N 3.25Å; L620-L623 PolarHBondContact O-N 3.01Å; L623-A625 VanDerWaalsContact C-N 3.34Å; L623-A625 PolarHBondContact O-N 3.4Å; L623-L626 PolarHBondContact O-N 3.35Å; L623-I627 HydrophobicContact CD1-CG2 3.99Å; L623-I627 WeakPolarHBondContact O-CG1 3.39Å; L623-I627 PolarHBondContact O-N 2.67Å
624V96.9Very high95.7Very high5 Ų58 Ų83%0.034%0.041CC..Hα-helixtrans-60.6-45.7177.3169.60000110.9F495 F499 L620 K621 H622 L626 I627 E628 I651 F653F495-V624 HydrophobicContact CE2-CG1 4.44Å; F495-V624 HydrophobicContact CZ-CG1 4.32Å; F499-V624 HydrophobicContact CE2-CG2 4.39Å; F499-V624 HydrophobicContact CZ-CG2 3.8Å; L620-V624 HydrophobicContact CD1-CG2 4.48Å; L620-V624 WeakPolarHBondContact O-CG2 3.38Å; L620-V624 PolarHBondContact O-N 2.88Å; K621-V624 PolarHBondContact O-N 3.05Å; H622-V624 PolarHBondContact O-N 3.48Å; V624-L626 VanDerWaalsContact C-N 3.26Å; V624-L626 PolarHBondContact O-N 3.01Å; V624-I627 WeakPolarHBondContact O-CG1 3.45Å; V624-I627 PolarHBondContact O-N 3.05Å; V624-E628 HydrophobicContact CG1-CG 4.25Å; V624-E628 VanDerWaalsContact CG1-OE1 3.31Å; V624-E628 WeakPolarHBondContact CG1-OE1 3.45Å; V624-E628 WeakPolarHBondContact O-CB 3.44Å; V624-E628 VanDerWaalsContact O-CG 3.23Å; V624-E628 WeakPolarHBondContact O-CG 3.4Å; V624-E628 PolarHBondContact O-N 2.94Å; V624-I651 HydrophobicContact CG1-CG2 4.19Å; V624-I651 HydrophobicContact CG2-CD1 4.32Å; V624-I651 HydrophobicContact CG2-CG2 4.17Å; V624-F653 HydrophobicContact CB-CE2 4Å; V624-F653 HydrophobicContact CB-CZ 4.34Å; V624-F653 HydrophobicContact CG1-CE2 4.19Å; V624-F653 HydrophobicContact CG2-CE2 3.95Å; V624-F653 HydrophobicContact CG2-CZ 3.8Å
625A95.6Very high95.3Very high7 Ų79 Ų96%0.0585%0.046CC..Hα-helixtrans-61.6-34.7178.300000112.6R391 E396 L397 K621 H622 L623R391-A625 PolarHBondContact NH1-O 3.5Å; E396-A625 HydrophobicContact CB-CB 4.24Å; E396-A625 WeakPolarHBondContact O-CB 3.33Å; L397-A625 HydrophobicContact CD2-CB 3.89Å; K621-A625 WeakPolarHBondContact O-CB 3.3Å; K621-A625 PolarHBondContact O-N 3.39Å; H622-A625 PolarHBondContact O-N 2.9Å; L623-A625 VanDerWaalsContact C-N 3.34Å; L623-A625 PolarHBondContact O-N 3.4Å
626L96Very high94.6Very high1 Ų111 Ų111%0.0056%0.06CC..Hα-helixtrans-70.7-53.2176.8-178.760000111.7L388 L397 L437 L440 I441 H622 L623 V624 E628 V629 L630L388-L626 HydrophobicContact CD1-CD1 3.6Å; L397-L626 HydrophobicContact CD2-CB 4.13Å; L437-L626 HydrophobicContact CD2-CD2 4.1Å; L440-L626 HydrophobicContact CB-CD2 3.91Å; L440-L626 HydrophobicContact CD1-CD2 3.82Å; L440-L626 HydrophobicContact CD1-CG 4.4Å; I441-L626 HydrophobicContact CD1-CD1 4.36Å; I441-L626 HydrophobicContact CD1-CD2 4.19Å; H622-L626 WeakPolarHBondContact O-CB 3.36Å; H622-L626 PolarHBondContact O-N 3.05Å; L623-L626 PolarHBondContact O-N 3.35Å; V624-L626 VanDerWaalsContact C-N 3.26Å; V624-L626 PolarHBondContact O-N 3.01Å; L626-E628 VanDerWaalsContact C-N 3.3Å; L626-E628 PolarHBondContact O-N 3.25Å; L626-V629 PolarHBondContact O-N 3.14Å; L626-V629 VanDerWaalsContact O-N 3.09Å; L626-L630 HydrophobicContact CD1-CD1 3.85Å; L626-L630 HydrophobicContact CD1-CG 4.08Å; L626-L630 HydrophobicContact CD2-CD1 4.36Å; L626-L630 HydrophobicContact CG-CD1 3.76Å; L626-L630 HydrophobicContact CG-CG 4.28Å; L626-L630 WeakPolarHBondContact O-CG 3.45Å; L626-L630 PolarHBondContact O-N 2.92Å
627I95.1Very high93.2Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-70.5-25.1-175.766.2-172.6000113.2L440 F495 F498 F499 L623 V624 V629 L630 C631L440-I627 HydrophobicContact CD1-CG2 3.68Å; F495-I627 HydrophobicContact CD2-CD1 3.98Å; F495-I627 HydrophobicContact CD2-CG1 3.86Å; F495-I627 HydrophobicContact CE2-CD1 3.5Å; F495-I627 HydrophobicContact CE2-CG1 3.5Å; F495-I627 HydrophobicContact CZ-CD1 3.98Å; F495-I627 HydrophobicContact CZ-CG1 4.41Å; F498-I627 HydrophobicContact CD1-CD1 3.72Å; F498-I627 HydrophobicContact CD1-CG2 4.15Å; F498-I627 HydrophobicContact CD2-CG2 4.48Å; F498-I627 HydrophobicContact CE1-CD1 3.96Å; F498-I627 HydrophobicContact CE1-CG2 3.77Å; F498-I627 HydrophobicContact CE2-CG2 4.14Å; F498-I627 HydrophobicContact CG-CG2 4.5Å; F498-I627 HydrophobicContact CZ-CG2 3.77Å; F499-I627 HydrophobicContact CD2-CD1 4.24Å; F499-I627 HydrophobicContact CE2-CD1 3.57Å; F499-I627 HydrophobicContact CZ-CD1 4.36Å; L623-I627 HydrophobicContact CD1-CG2 3.99Å; L623-I627 WeakPolarHBondContact O-CG1 3.39Å; L623-I627 PolarHBondContact O-N 2.67Å; V624-I627 WeakPolarHBondContact O-CG1 3.45Å; V624-I627 PolarHBondContact O-N 3.05Å; I627-V629 PolarHBondContact O-N 3.11Å; I627-L630 PolarHBondContact O-N 2.97Å; I627-C631 VanDerWaalsContact O-CB 3.28Å; I627-C631 WeakPolarHBondContact O-CB 3.43Å; I627-C631 PolarHBondContact O-N 3.01Å; I627-C631 PolarHBondContact O-SG 3.24Å
628E93.3Very high91.8Very high33 Ų3318.7 Ų18.715%0.15411%0.105CC..Hα-helixtrans-60.8-28.2170.4-82.9177.5-177.900113R391 F495 V624 L626 P632 N648R391-E628 IonicContact CZ-OE2 3.84Å; R391-E628 VanDerWaalsContact NH1-CB 3.29Å; R391-E628 IonicContact NH1-OE2 3.48Å; R391-E628 PolarHBondContact NH1-OE2 3.01Å; R391-E628 IonicContact NH2-OE2 3.96Å; R391-E628 PolarHBondContact NH2-OE2 3.44Å; F495-E628 HydrophobicContact CD2-CG 4.46Å; F495-E628 HydrophobicContact CE2-CG 3.96Å; V624-E628 HydrophobicContact CG1-CG 4.25Å; V624-E628 VanDerWaalsContact CG1-OE1 3.31Å; V624-E628 WeakPolarHBondContact CG1-OE1 3.45Å; V624-E628 WeakPolarHBondContact O-CB 3.44Å; V624-E628 VanDerWaalsContact O-CG 3.23Å; V624-E628 WeakPolarHBondContact O-CG 3.4Å; V624-E628 PolarHBondContact O-N 2.94Å; L626-E628 VanDerWaalsContact C-N 3.3Å; L626-E628 PolarHBondContact O-N 3.25Å; E628-P632 WeakPolarHBondContact O-CD 3.14Å; E628-P632 WeakPolarHBondContact O-CG 3.32Å; E628-N648 HydrophobicContact CG-CB 3.93Å; E628-N648 WeakPolarHBondContact OE1-CB 3.32Å; E628-N648 PolarHBondContact OE1-ND2 3.49Å
629V93.2Very high90Very high3 Ų322.8 Ų22.82%0.01813%0.126CC..Hα-helixtrans-87.5-44.4172.7-1780000110.7P385 E387 L388 L626 I627 P632 F633P385-V629 HydrophobicContact CB-CG1 4.3Å; E387-V629 HydrophobicContact CB-CG1 4.42Å; E387-V629 HydrophobicContact CB-CG2 4.38Å; E387-V629 HydrophobicContact CG-CG2 3.8Å; L388-V629 HydrophobicContact CB-CG1 4.16Å; L388-V629 HydrophobicContact CD1-CB 4.44Å; L626-V629 PolarHBondContact O-N 3.14Å; L626-V629 VanDerWaalsContact O-N 3.09Å; I627-V629 PolarHBondContact O-N 3.11Å; V629-P632 WeakPolarHBondContact O-CD 3.5Å; V629-F633 VanDerWaalsContact O-CB 3.23Å; V629-F633 WeakPolarHBondContact O-CB 3.45Å; V629-F633 PolarHBondContact O-N 3.45Å; V629-F633 VanDerWaalsContact O-N 3.16Å
630L94.1Very high88.2Confident0 Ų030.7 Ų30.70%016%0.163CC..Hα-helixtrans-69.8-37.5-173.9-63.8-176.7000113.5L440 L444 P485 L626 I627 F633 Y634L440-L630 HydrophobicContact CB-CD1 4.17Å; L440-L630 HydrophobicContact CD2-CD1 4.02Å; L444-L630 HydrophobicContact CD1-CD2 3.92Å; L444-L630 HydrophobicContact CD2-CD2 4.26Å; L444-L630 HydrophobicContact CG-CD2 4.49Å; P485-L630 HydrophobicContact CG-CB 3.81Å; L626-L630 HydrophobicContact CD1-CD1 3.85Å; L626-L630 HydrophobicContact CD1-CG 4.08Å; L626-L630 HydrophobicContact CD2-CD1 4.36Å; L626-L630 HydrophobicContact CG-CD1 3.76Å; L626-L630 HydrophobicContact CG-CG 4.28Å; L626-L630 WeakPolarHBondContact O-CG 3.45Å; L626-L630 PolarHBondContact O-N 2.92Å; I627-L630 PolarHBondContact O-N 2.97Å; L630-F633 HydrophobicContact CD2-CD1 4.43Å; L630-F633 PolarHBondContact O-N 2.81Å; L630-Y634 HydrophobicContact CB-CD2 4.15Å; L630-Y634 HydrophobicContact CB-CE2 4.13Å; L630-Y634 HydrophobicContact CD2-CE2 4.2Å; L630-Y634 WeakPolarHBondContact O-CD2 3.43Å; L630-Y634 PolarHBondContact O-N 3.48Å
631C93.2Very high86.6Confident2 Ų234.8 Ų34.81%0.01418%0.18CC..Hα-helixtrans-59.8-51.9179.5-77.50000112.3P485 S494 I627 N635P485-C631 VanDerWaalsContact CB-SG 3.55Å; S494-C631 PolarHBondContact OG-SG 3.34Å; S494-C631 VanDerWaalsContact OG-SG 3.34Å; I627-C631 VanDerWaalsContact O-CB 3.28Å; I627-C631 WeakPolarHBondContact O-CB 3.43Å; I627-C631 PolarHBondContact O-N 3.01Å; I627-C631 PolarHBondContact O-SG 3.24Å; C631-N635 WeakPolarHBondContact O-CB 3.4Å; C631-N635 PolarHBondContact O-N 3.32Å; C631-N635 VanDerWaalsContact O-N 3.15Å
632P91.1Very high85.1Confident5 Ų536.2 Ų36.23%0.03219%0.191CC..Hα-helixtrans-64.5-37.9173.3-19.629.6000113.8P491 E628 V629 N635 S636 F641 T643 L646P491-P632 HydrophobicContact CB-CB 4.17Å; P491-P632 HydrophobicContact CB-CG 3.82Å; P491-P632 HydrophobicContact CG-CB 4.15Å; P491-P632 HydrophobicContact CG-CG 4.32Å; E628-P632 WeakPolarHBondContact O-CD 3.14Å; E628-P632 WeakPolarHBondContact O-CG 3.32Å; V629-P632 WeakPolarHBondContact O-CD 3.5Å; P632-N635 PolarHBondContact O-N 3.17Å; P632-S636 WeakPolarHBondContact O-CB 3.3Å; P632-S636 PolarHBondContact O-N 2.9Å; P632-S636 PolarHBondContact O-OG 3.1Å; P632-F641 HydrophobicContact CB-CD1 3.87Å; P632-F641 HydrophobicContact CB-CE1 3.55Å; P632-F641 HydrophobicContact CB-CZ 4.5Å; P632-T643 HydrophobicContact CB-CG2 3.78Å; P632-T643 HydrophobicContact CG-CG2 3.86Å; P632-L646 HydrophobicContact CB-CD1 3.89Å; P632-L646 HydrophobicContact CG-CD1 3.76Å
633F91.4Very high83.5Confident6 Ų636.3 Ų36.33%0.02619%0.192CC..Hα-helixtrans-57.8-53.2178.4173.1-108.6000111.8P385 L444 H447 L448 V629 L630 N635 S636 N637 N639P385-F633 HydrophobicContact CG-CD2 3.8Å; P385-F633 HydrophobicContact CG-CE2 3.89Å; P385-F633 HydrophobicContact CG-CG 4.21Å; P385-F633 HydrophobicContact CG-CZ 4.37Å; L444-F633 HydrophobicContact CD1-CD1 4.41Å; L444-F633 HydrophobicContact CD1-CE1 3.87Å; L444-F633 HydrophobicContact CD1-CZ 4.49Å; H447-F633 AromaticContact CD2-CE1 3.64Å; H447-F633 AromaticContact CD2-CZ 3.69Å; H447-F633 AromaticContact NE2-CZ 3.95Å; L448-F633 HydrophobicContact CD2-CZ 4.03Å; V629-F633 VanDerWaalsContact O-CB 3.23Å; V629-F633 WeakPolarHBondContact O-CB 3.45Å; V629-F633 PolarHBondContact O-N 3.45Å; V629-F633 VanDerWaalsContact O-N 3.16Å; L630-F633 HydrophobicContact CD2-CD1 4.43Å; L630-F633 PolarHBondContact O-N 2.81Å; F633-N635 VanDerWaalsContact C-N 3.29Å; F633-N635 PolarHBondContact O-N 3.27Å; F633-S636 PolarHBondContact O-N 3.05Å; F633-S636 PolarHBondContact O-OG 3.21Å; F633-N637 PolarHBondContact O-N 2.86Å; F633-N639 WeakPolarHBondContact CE2-OD1 3.27Å
634Y91.5Very high81.8Confident15 Ų1538.6 Ų38.66%0.05921%0.208CC..Hα-helixtrans-72.1-20178.1-72.7-66.8000114.2G443 L444 H447 K484 P485 L630G443-Y634 PolarHBondContact O-OH 3.39Å; L444-Y634 VanDerWaalsContact CA-OH 3.3Å; L444-Y634 WeakPolarHBondContact CA-OH 3.41Å; L444-Y634 PolarHBondContact N-OH 3.3Å; H447-Y634 HydrophobicContact CB-CE1 4.03Å; H447-Y634 AromaticContact CG-CE1 3.72Å; H447-Y634 AromaticContact ND1-CE1 3.88Å; K484-Y634 HydrophobicContact CB-CD2 4.33Å; K484-Y634 HydrophobicContact CB-CE1 4.18Å; K484-Y634 HydrophobicContact CB-CE2 3.9Å; K484-Y634 HydrophobicContact CD-CE1 4.39Å; P485-Y634 HydrophobicContact CG-CD2 4.27Å; L630-Y634 HydrophobicContact CB-CD2 4.15Å; L630-Y634 HydrophobicContact CB-CE2 4.13Å; L630-Y634 HydrophobicContact CD2-CE2 4.2Å; L630-Y634 WeakPolarHBondContact O-CD2 3.43Å; L630-Y634 PolarHBondContact O-N 3.48Å
635N88.3Confident80Confident26 Ų2646 Ų4614%0.13924%0.242CC..Hα-helixtrans-79-34.3173.2-89.616.9000112.9Y487 A488 T490 P491 C631 P632 F633Y487-N635 WeakPolarHBondContact CA-OD1 3.47Å; A488-N635 PolarHBondContact N-OD1 3.2Å; A488-N635 PolarHBondContact O-ND2 2.84Å; A488-N635 VanDerWaalsContact O-ND2 3.1Å; T490-N635 PolarHBondContact O-ND2 3.11Å; P491-N635 WeakPolarHBondContact CA-ND2 3.36Å; P491-N635 HydrophobicContact CG-CB 4.34Å; C631-N635 WeakPolarHBondContact O-CB 3.4Å; C631-N635 PolarHBondContact O-N 3.32Å; C631-N635 VanDerWaalsContact O-N 3.15Å; P632-N635 PolarHBondContact O-N 3.17Å; F633-N635 VanDerWaalsContact C-N 3.29Å; F633-N635 PolarHBondContact O-N 3.27Å
636S84Confident78.5Confident46 Ų4648 Ų4832%0.32225%0.251SS..Hα-helixtrans-88.8-24.1-178610000113.4P632 F633 S638P632-S636 WeakPolarHBondContact O-CB 3.3Å; P632-S636 PolarHBondContact O-N 2.9Å; P632-S636 PolarHBondContact O-OG 3.1Å; F633-S636 PolarHBondContact O-N 3.05Å; F633-S636 PolarHBondContact O-OG 3.21Å; S636-S638 PolarHBondContact O-N 3.2Å; S636-S638 PolarHBondContact OG-N 3.41Å
637N68.6Low77.2Confident120 Ų12057.4 Ų57.464%0.64229%0.287SS*.THydrogen-bonded Turntrans51.628.4-168-71.2-27.8000113F633F633-N637 PolarHBondContact O-N 2.86Å
638S69Low76.5Confident49 Ų4958 Ų5834%0.34329%0.29SS..  trans-120.1133.8179.6178.90000111.6S636 E640S636-S638 PolarHBondContact O-N 3.2Å; S636-S638 PolarHBondContact OG-N 3.41Å; S638-E640 VanDerWaalsContact C-N 3.31Å; S638-E640 PolarHBondContact OG-N 3Å
639N60.1Low76.1Confident98 Ų9859 Ų5952%0.52430%0.299SS..THydrogen-bonded Turntrans-76.2-17.5176.7-66.1-13.1000113.1F633F633-N639 WeakPolarHBondContact CE2-OD1 3.27Å
640E60.1Low76.1Confident168 Ų16859.8 Ų59.879%0.78530%0.303SS*.THydrogen-bonded Turntrans-97.613.9-174.6-63.3-165151.300113.6S638 D642S638-E640 VanDerWaalsContact C-N 3.31Å; S638-E640 PolarHBondContact OG-N 3Å; E640-D642 PolarHBondContact O-N 3.17Å
641F64.5Low76.2Confident86 Ų8659.9 Ų59.938%0.37730%0.303SS..  trans-76111.6-171.1-162.8-96.8000112.1P632 T643 L646P632-F641 HydrophobicContact CB-CD1 3.87Å; P632-F641 HydrophobicContact CB-CE1 3.55Å; P632-F641 HydrophobicContact CB-CZ 4.5Å; F641-T643 HydrophobicContact CD1-CG2 3.59Å; F641-T643 HydrophobicContact CE1-CG2 3.92Å; F641-T643 PolarHBondContact O-N 3.42Å; F641-L646 HydrophobicContact CE1-CD1 3.47Å; F641-L646 VanDerWaalsContact CE1-CD1 3.47Å; F641-L646 HydrophobicContact CZ-CD1 4.07Å
642D65.3Low76.3Confident88 Ų8864.6 Ų64.647%0.47132%0.32SS..  trans-76.2107.8173.5-177.311.3000110.8E640 S644 H645E640-D642 PolarHBondContact O-N 3.17Å; D642-S644 VanDerWaalsContact CG-OG 3.24Å; D642-S644 WeakPolarHBondContact OD1-CB 3.37Å; D642-S644 PolarHBondContact OD1-N 3.41Å; D642-S644 PolarHBondContact OD1-OG 2.98Å; D642-S644 PolarHBondContact OD2-OG 3.15Å; D642-H645 IonicContact OD2-NE2 2.68Å
643T65Low76.6Confident4 Ų466.2 Ų66.23%0.02533%0.327CS..  trans-91.96.4175.658.50000113.3E387 P632 F641 H645 L646E387-T643 VanDerWaalsContact CG-OG1 3.22Å; E387-T643 WeakPolarHBondContact CG-OG1 3.43Å; P632-T643 HydrophobicContact CB-CG2 3.78Å; P632-T643 HydrophobicContact CG-CG2 3.86Å; F641-T643 HydrophobicContact CD1-CG2 3.59Å; F641-T643 HydrophobicContact CE1-CG2 3.92Å; F641-T643 PolarHBondContact O-N 3.42Å; T643-H645 PolarHBondContact O-N 3.35Å; T643-H645 VanDerWaalsContact O-N 3.08Å; T643-L646 HydrophobicContact CG2-CD1 4.12Å; T643-L646 PolarHBondContact O-N 2.92Å
644S61.7Low76.9Confident49 Ų4966.6 Ų66.634%0.34333%0.328SS..THydrogen-bonded Turntrans-57.1-28.7-177.370.40000113.1D642D642-S644 VanDerWaalsContact CG-OG 3.24Å; D642-S644 WeakPolarHBondContact OD1-CB 3.37Å; D642-S644 PolarHBondContact OD1-N 3.41Å; D642-S644 PolarHBondContact OD1-OG 2.98Å; D642-S644 PolarHBondContact OD2-OG 3.15Å
645H59.7Low77.2Confident160 Ų16067.5 Ų67.574%0.74134%0.336SS*.THydrogen-bonded Turntrans-83.9-21.9176.7-51.8-47.3000113.8D642 T643 R647D642-H645 IonicContact OD2-NE2 2.68Å; T643-H645 PolarHBondContact O-N 3.35Å; T643-H645 VanDerWaalsContact O-N 3.08Å; H645-R647 VanDerWaalsContact C-N 3.29Å; H645-R647 PolarHBondContact O-N 3.43Å
646L63.9Low77.7Confident50 Ų5066.3 Ų66.326%0.26233%0.33SS..  trans-82.176.4-178.4-74.8160.3000109.8P632 F641 T643 N648P632-L646 HydrophobicContact CB-CD1 3.89Å; P632-L646 HydrophobicContact CG-CD1 3.76Å; F641-L646 HydrophobicContact CE1-CD1 3.47Å; F641-L646 VanDerWaalsContact CE1-CD1 3.47Å; F641-L646 HydrophobicContact CZ-CD1 4.07Å; T643-L646 HydrophobicContact CG2-CD1 4.12Å; T643-L646 PolarHBondContact O-N 2.92Å; L646-N648 PolarHBondContact O-N 2.52Å
647R68.5Low78.3Confident197 Ų19765 Ų6574%0.74332%0.318SS*.  trans-78.5118.4166.8-70.4-168.9-178.1-159.52.7109H645 P649H645-R647 VanDerWaalsContact C-N 3.29Å; H645-R647 PolarHBondContact O-N 3.43Å; R647-P649 WeakPolarHBondContact O-CD 3.43Å
648N79.5Confident79.6Confident12 Ų1260 Ų606%0.06429%0.291CS..  trans-50.3118.4167.6177.9-5.2000111.4F495 E628 L646 F650 I651F495-N648 WeakPolarHBondContact CE1-ND2 3.42Å; F495-N648 VanDerWaalsContact CE2-ND2 3.25Å; F495-N648 WeakPolarHBondContact CE2-ND2 3.28Å; F495-N648 WeakPolarHBondContact CZ-ND2 3.26Å; E628-N648 HydrophobicContact CG-CB 3.93Å; E628-N648 WeakPolarHBondContact OE1-CB 3.32Å; E628-N648 PolarHBondContact OE1-ND2 3.49Å; L646-N648 PolarHBondContact O-N 2.52Å; N648-F650 VanDerWaalsContact C-N 3.35Å; N648-F650 WeakPolarHBondContact OD1-CB 3.44Å; N648-F650 WeakPolarHBondContact OD1-CD2 3.39Å; N648-F650 PolarHBondContact OD1-N 3.36Å; N648-I651 VanDerWaalsContact ND2-CG2 3.26Å; N648-I651 WeakPolarHBondContact ND2-CG2 3.33Å; N648-I651 PolarHBondContact OD1-N 2.96Å
649P84.9Confident81Confident54 Ų5458 Ų5835%0.35128%0.276SS..SBendtrans-89-2.1-177.935.4-34.9000113.2K512 V514 R647K512-P649 PolarHBondContact NZ-O 3.49Å; V514-P649 WeakPolarHBondContact CG1-O 3.41Å; R647-P649 WeakPolarHBondContact O-CD 3.43Å
650F94Very high82.8Confident21 Ų2153.3 Ų53.39%0.09225%0.251CS..SBendtrans-98.6-41.8-168-50.6-57.3000112.9E492 F495 L496 L507 K509 Q517 N648E492-F650 HydrophobicContact CB-CE2 3.71Å; E492-F650 HydrophobicContact CB-CZ 3.79Å; E492-F650 HydrophobicContact CG-CE2 4.13Å; E492-F650 HydrophobicContact CG-CZ 4.22Å; F495-F650 AromaticContact CD1-CD2 3.82Å; F495-F650 HydrophobicContact CD1-CD2 3.82Å; F495-F650 HydrophobicContact CD1-CE2 4.5Å; F495-F650 HydrophobicContact CE1-CD2 4.27Å; L496-F650 HydrophobicContact CD1-CE1 4.25Å; L496-F650 HydrophobicContact CD1-CE2 4.25Å; L496-F650 HydrophobicContact CD1-CZ 3.92Å; L496-F650 HydrophobicContact CD2-CB 4.47Å; L496-F650 HydrophobicContact CD2-CD1 4.08Å; L496-F650 HydrophobicContact CD2-CD2 3.88Å; L496-F650 HydrophobicContact CD2-CE1 4.27Å; L496-F650 HydrophobicContact CD2-CE2 4.08Å; L496-F650 HydrophobicContact CD2-CG 3.87Å; L496-F650 HydrophobicContact CD2-CZ 4.26Å; L496-F650 HydrophobicContact CG-CD2 4.19Å; L496-F650 HydrophobicContact CG-CE2 3.91Å; L496-F650 HydrophobicContact CG-CZ 4.09Å; L507-F650 HydrophobicContact CD1-CB 4.2Å; K509-F650 HydrophobicContact CB-CD1 4.1Å; K509-F650 HydrophobicContact CB-CE1 3.89Å; Q517-F650 PolarHBondContact NE2-O 3.47Å; N648-F650 VanDerWaalsContact C-N 3.35Å; N648-F650 WeakPolarHBondContact OD1-CB 3.44Å; N648-F650 WeakPolarHBondContact OD1-CD2 3.39Å; N648-F650 PolarHBondContact OD1-N 3.36Å
651I95.7Very high84.6Confident1 Ų145.7 Ų45.71%0.00522%0.217CC..  trans-136.9135.5-174.5-173.2179.2000110.8F495 F499 I521 V624 N648 F653F495-I651 HydrophobicContact CE1-CG2 3.94Å; F495-I651 HydrophobicContact CZ-CG2 3.7Å; F499-I651 HydrophobicContact CE1-CD1 4.45Å; F499-I651 HydrophobicContact CZ-CD1 4.31Å; I521-I651 HydrophobicContact CD1-CD1 3.46Å; I521-I651 VanDerWaalsContact CD1-CD1 3.46Å; I521-I651 HydrophobicContact CD1-CG1 4.12Å; V624-I651 HydrophobicContact CG1-CG2 4.19Å; V624-I651 HydrophobicContact CG2-CD1 4.32Å; V624-I651 HydrophobicContact CG2-CG2 4.17Å; N648-I651 VanDerWaalsContact ND2-CG2 3.26Å; N648-I651 WeakPolarHBondContact ND2-CG2 3.33Å; N648-I651 PolarHBondContact OD1-N 2.96Å; I651-F653 HydrophobicContact CD1-CE1 3.91Å; I651-F653 HydrophobicContact CD1-CE2 4.42Å; I651-F653 HydrophobicContact CD1-CZ 3.59Å; I651-F653 HydrophobicContact CG1-CE1 4.31Å; I651-F653 HydrophobicContact CG1-CE2 4.45Å; I651-F653 HydrophobicContact CG1-CZ 4Å
652R95.9Very high86.1Confident102 Ų10242 Ų4239%0.38520%0.201SC..  trans-137173.8165-66.9-175-178.5157.31.2108.9V514 E515 G518V514-R652 HydrophobicContact CB-CG 4.48Å; V514-R652 HydrophobicContact CG2-CB 3.86Å; V514-R652 HydrophobicContact CG2-CG 3.67Å; V514-R652 PolarHBondContact O-N 2.99Å; E515-R652 WeakPolarHBondContact CA-O 3.29Å; E515-R652 HydrophobicContact CG-CB 3.97Å; E515-R652 WeakPolarHBondContact OE1-CD 3.2Å; E515-R652 IonicContact OE1-NH1 3.26Å; G518-R652 WeakPolarHBondContact CA-O 3.5Å
653F97Very high87.6Confident39 Ų3937.9 Ų37.917%0.17118%0.18CC..  trans-124.1137.7-179.4-56.4-81.8000109.3L620 K621 V624 I651L620-F653 HydrophobicContact CD2-CE1 3.67Å; L620-F653 HydrophobicContact CD2-CZ 4.13Å; L620-F653 HydrophobicContact CG-CE1 3.78Å; L620-F653 HydrophobicContact CG-CZ 3.75Å; K621-F653 HydrophobicContact CB-CD2 4.49Å; K621-F653 HydrophobicContact CD-CB 4.14Å; K621-F653 HydrophobicContact CD-CD2 4.41Å; K621-F653 HydrophobicContact CD-CG 4.23Å; K621-F653 HydrophobicContact CG-CB 4.12Å; K621-F653 HydrophobicContact CG-CD1 4.16Å; K621-F653 HydrophobicContact CG-CD2 3.56Å; K621-F653 HydrophobicContact CG-CE2 3.97Å; K621-F653 HydrophobicContact CG-CG 3.65Å; K621-F653 HydrophobicContact CG-CZ 4.44Å; V624-F653 HydrophobicContact CB-CE2 4Å; V624-F653 HydrophobicContact CB-CZ 4.34Å; V624-F653 HydrophobicContact CG1-CE2 4.19Å; V624-F653 HydrophobicContact CG2-CE2 3.95Å; V624-F653 HydrophobicContact CG2-CZ 3.8Å; I651-F653 HydrophobicContact CD1-CE1 3.91Å; I651-F653 HydrophobicContact CD1-CE2 4.42Å; I651-F653 HydrophobicContact CD1-CZ 3.59Å; I651-F653 HydrophobicContact CG1-CE1 4.31Å; I651-F653 HydrophobicContact CG1-CE2 4.45Å; I651-F653 HydrophobicContact CG1-CZ 4Å
654Y97.8Very high89.1Confident13 Ų1338.7 Ų38.75%0.05118%0.183CC..  trans-56148.3160.3-65.7-74.1000109.3E515 L519 T553 N557 L656 M658 L659E515-Y654 HydrophobicContact CB-CD1 4.05Å; E515-Y654 HydrophobicContact CB-CD2 4.05Å; E515-Y654 HydrophobicContact CB-CE1 3.77Å; E515-Y654 HydrophobicContact CB-CE2 3.79Å; E515-Y654 HydrophobicContact CB-CG 4.18Å; E515-Y654 HydrophobicContact CG-CE1 4.49Å; E515-Y654 WeakPolarHBondContact O-CE2 3.32Å; L519-Y654 HydrophobicContact CB-CD2 4.41Å; L519-Y654 HydrophobicContact CB-CE2 4.34Å; L519-Y654 HydrophobicContact CD2-CE2 4.45Å; T553-Y654 HydrophobicContact CG2-CD2 3.74Å; T553-Y654 HydrophobicContact CG2-CE2 4.08Å; T553-Y654 HydrophobicContact CG2-CG 4.14Å; N557-Y654 HydrophobicContact CB-CD1 4.45Å; N557-Y654 HydrophobicContact CB-CE1 3.98Å; N557-Y654 WeakPolarHBondContact OD1-CE1 3.23Å; Y654-L656 PolarHBondContact O-N 3.07Å; Y654-M658 HydrophobicContact CD1-SD 3.65Å; Y654-M658 HydrophobicContact CE1-SD 4.45Å; Y654-M658 HydrophobicContact CG-SD 4.24Å; Y654-L659 HydrophobicContact CD2-CD2 4.08Å; Y654-L659 HydrophobicContact CG-CD2 4.31Å
655P97.3Very high90.8Very high35 Ų3536.5 Ų36.523%0.22717%0.167CC..  trans-52.2142.9172.3-24.933.9000111W657 M658 L659P655-W657 HydrophobicContact CB-CD2 4.2Å; P655-W657 HydrophobicContact CB-CG 4.17Å; P655-W657 HydrophobicContact CB-CZ2 4.2Å; P655-W657 VanDerWaalsContact CB-NE1 3.3Å; P655-W657 HydrophobicContact CG-CZ2 4.22Å; P655-W657 PolarHBondContact O-N 2.91Å; P655-M658 HydrophobicContact CB-CB 4.26Å; P655-M658 WeakPolarHBondContact O-CA 3.4Å; P655-M658 VanDerWaalsContact O-CB 3.25Å; P655-M658 WeakPolarHBondContact O-CB 3.23Å; P655-M658 PolarHBondContact O-N 2.94Å; P655-L659 PolarHBondContact O-N 3.47Å
656L98.4Very high92.6Very high1 Ų129 Ų291%0.00513%0.133CC..Hα-helixtrans-63.6-35-178.1-67.9169.2000111.5L124 N127 V128 E131 A617 K621 Y654 M658 L659 F660L124-L656 HydrophobicContact CD1-CB 4.19Å; L124-L656 HydrophobicContact CD1-CD1 4.43Å; L124-L656 HydrophobicContact CD1-CD2 4.05Å; L124-L656 HydrophobicContact CD1-CG 4.45Å; L124-L656 HydrophobicContact CD2-CD1 4.22Å; N127-L656 HydrophobicContact CB-CD1 3.39Å; V128-L656 HydrophobicContact CG2-CB 4.05Å; E131-L656 VanDerWaalsContact CD-N 3.3Å; E131-L656 WeakPolarHBondContact OE1-CG 3.28Å; E131-L656 PolarHBondContact OE1-N 3.07Å; E131-L656 PolarHBondContact OE2-N 3.41Å; A617-L656 HydrophobicContact CB-CD2 3.89Å; K621-L656 HydrophobicContact CD-CD1 4.35Å; K621-L656 HydrophobicContact CD-CD2 4.1Å; K621-L656 HydrophobicContact CD-CG 4.21Å; Y654-L656 PolarHBondContact O-N 3.07Å; L656-M658 PolarHBondContact O-N 2.8Å; L656-L659 HydrophobicContact CD2-CD1 4.3Å; L656-L659 PolarHBondContact O-N 3.01Å; L656-F660 HydrophobicContact CD2-CE2 4.22Å; L656-F660 PolarHBondContact O-N 2.86Å
657W96.7Very high94.2Very high19 Ų1926.7 Ų26.77%0.07212%0.12CC..Hα-helixtrans-64.3-19.6172.666.2-102.3000113.3L53 K56 V128 E131 E135 M556 P655 A661L53-W657 HydrophobicContact CD1-CE3 3.93Å; L53-W657 HydrophobicContact CD1-CZ3 4.02Å; K56-W657 HydrophobicContact CD-CD2 3.72Å; K56-W657 HydrophobicContact CD-CE3 3.97Å; K56-W657 HydrophobicContact CD-CG 4.03Å; K56-W657 HydrophobicContact CD-CZ2 4.41Å; K56-W657 HydrophobicContact CD-CZ3 4.42Å; V128-W657 HydrophobicContact CG1-CB 3.87Å; V128-W657 HydrophobicContact CG2-CB 4.21Å; E131-W657 VanDerWaalsContact OE2-CD1 3.23Å; E131-W657 PolarHBondContact OE2-N 3.41Å; E135-W657 PolarHBondContact OE1-NE1 3.35Å; M556-W657 HydrophobicContact CE-CZ3 4Å; P655-W657 HydrophobicContact CB-CD2 4.2Å; P655-W657 HydrophobicContact CB-CG 4.17Å; P655-W657 HydrophobicContact CB-CZ2 4.2Å; P655-W657 VanDerWaalsContact CB-NE1 3.3Å; P655-W657 HydrophobicContact CG-CZ2 4.22Å; P655-W657 PolarHBondContact O-N 2.91Å; W657-A661 WeakPolarHBondContact O-CA 3.42Å; W657-A661 WeakPolarHBondContact O-CB 3.25Å; W657-A661 PolarHBondContact O-N 2.97Å
658M96.6Very high95.6Very high14 Ų1417.5 Ų17.57%0.0699%0.086CC..Hα-helixtrans-87.4-45.9175-174.3-177.5-68.800111.3M556 N557 C560 Y654 P655 L656 F660M556-M658 HydrophobicContact CB-CG 4Å; M556-M658 HydrophobicContact CG-CB 4.39Å; M556-M658 HydrophobicContact CG-CG 3.5Å; N557-M658 HydrophobicContact CB-SD 3.81Å; C560-M658 HydrophobicContact CB-CE 4.48Å; Y654-M658 HydrophobicContact CD1-SD 3.65Å; Y654-M658 HydrophobicContact CE1-SD 4.45Å; Y654-M658 HydrophobicContact CG-SD 4.24Å; P655-M658 HydrophobicContact CB-CB 4.26Å; P655-M658 WeakPolarHBondContact O-CA 3.4Å; P655-M658 VanDerWaalsContact O-CB 3.25Å; P655-M658 WeakPolarHBondContact O-CB 3.23Å; P655-M658 PolarHBondContact O-N 2.94Å; L656-M658 PolarHBondContact O-N 2.8Å; M658-F660 VanDerWaalsContact C-N 3.28Å; M658-F660 PolarHBondContact O-N 3.1Å
659L97.9Very high96.4Very high6 Ų616.9 Ų16.93%0.0318%0.083CC..Hα-helixtrans-57.1-44.2176.2-68.8-176.7000111.3L519 L522 L549 T553 Y654 P655 L656L519-L659 HydrophobicContact CD1-CD2 4.11Å; L522-L659 HydrophobicContact CD2-CD1 4.28Å; L549-L659 WeakPolarHBondContact CD1-O 3.47Å; T553-L659 HydrophobicContact CG2-CD2 3.47Å; T553-L659 VanDerWaalsContact CG2-CD2 3.47Å; Y654-L659 HydrophobicContact CD2-CD2 4.08Å; Y654-L659 HydrophobicContact CG-CD2 4.31Å; P655-L659 PolarHBondContact O-N 3.47Å; L656-L659 HydrophobicContact CD2-CD1 4.3Å; L656-L659 PolarHBondContact O-N 3.01Å
660F98Very high96.9Very high1 Ų114.3 Ų14.30%0.0047%0.066CC..THydrogen-bonded Turntrans-115.433.9-173-55.5-75.5000112Y52 L124 L549 L613 Q614 A617 L656 M658 S662 L666Y52-F660 HydrophobicContact CD2-CB 3.53Å; Y52-F660 VanDerWaalsContact CD2-O 3.26Å; Y52-F660 WeakPolarHBondContact CD2-O 3.3Å; Y52-F660 HydrophobicContact CE2-CB 3.79Å; L124-F660 HydrophobicContact CD1-CD2 3.43Å; L124-F660 VanDerWaalsContact CD1-CD2 3.43Å; L124-F660 HydrophobicContact CD1-CE2 3.71Å; L124-F660 HydrophobicContact CD1-CG 4.25Å; L549-F660 HydrophobicContact CD1-CD1 3.95Å; L549-F660 HydrophobicContact CD1-CE1 3.77Å; L549-F660 HydrophobicContact CD1-CZ 4.45Å; L549-F660 HydrophobicContact CD2-CE1 4.17Å; L549-F660 HydrophobicContact CD2-CZ 4.46Å; L613-F660 HydrophobicContact CB-CE1 4.03Å; L613-F660 HydrophobicContact CB-CZ 4.19Å; Q614-F660 HydrophobicContact CB-CE2 4.49Å; Q614-F660 HydrophobicContact CB-CZ 4.31Å; Q614-F660 HydrophobicContact CG-CD1 3.61Å; Q614-F660 HydrophobicContact CG-CD2 3.95Å; Q614-F660 HydrophobicContact CG-CE1 3.53Å; Q614-F660 HydrophobicContact CG-CE2 3.88Å; Q614-F660 HydrophobicContact CG-CG 3.82Å; Q614-F660 HydrophobicContact CG-CZ 3.67Å; A617-F660 HydrophobicContact CB-CE2 3.93Å; A617-F660 HydrophobicContact CB-CZ 4.18Å; L656-F660 HydrophobicContact CD2-CE2 4.22Å; L656-F660 PolarHBondContact O-N 2.86Å; M658-F660 VanDerWaalsContact C-N 3.28Å; M658-F660 PolarHBondContact O-N 3.1Å; F660-S662 PolarHBondContact O-N 3.42Å; F660-L666 HydrophobicContact CD1-CD1 4.22Å
661A97.5Very high97Very high8 Ų814.3 Ų14.37%0.0667%0.065CC..SBendtrans-47.2-42.6-171.900000114.8Y52 L53 M556 L583 W657Y52-A661 PolarHBondContact N-O 2.92Å; L53-A661 HydrophobicContact CB-CB 4.09Å; L53-A661 WeakPolarHBondContact CB-O 3.23Å; L53-A661 PolarHBondContact N-O 3.21Å; M556-A661 HydrophobicContact CG-CB 4.31Å; M556-A661 HydrophobicContact SD-CB 4.1Å; L583-A661 HydrophobicContact CD1-CB 3.91Å; W657-A661 WeakPolarHBondContact O-CA 3.42Å; W657-A661 WeakPolarHBondContact O-CB 3.25Å; W657-A661 PolarHBondContact O-N 2.97Å
662S97.5Very high97Very high7 Ų715 Ų155%0.0497%0.069CC..  trans-142.3110.2172.9176.90000111E51 F660 R664 L665 L666E51-S662 VanDerWaalsContact OE2-CA 3.29Å; E51-S662 WeakPolarHBondContact OE2-CA 3.26Å; E51-S662 VanDerWaalsContact OE2-CB 3.23Å; E51-S662 WeakPolarHBondContact OE2-CB 2.87Å; E51-S662 PolarHBondContact OE2-OG 3.15Å; F660-S662 PolarHBondContact O-N 3.42Å; S662-R664 VanDerWaalsContact C-N 3.25Å; S662-R664 PolarHBondContact O-N 2.99Å; S662-L665 PolarHBondContact O-N 3.32Å; S662-L665 PolarHBondContact OG-N 3.06Å; S662-L666 WeakPolarHBondContact O-CG 3.46Å; S662-L666 PolarHBondContact O-N 3.41Å; S662-L666 VanDerWaalsContact O-N 3.1Å
663G97Very high96.9Very high3 Ų310.2 Ų10.23%0.0315%0.051CC..Hα-helixtrans-59.4-37.9173.300000111.7G50 E51 L666 Y667G50-G663 VanDerWaalsContact O-CA 3.31Å; G50-G663 WeakPolarHBondContact O-CA 3.34Å; G50-G663 PolarHBondContact O-N 3.1Å; E51-G663 PolarHBondContact OE1-N 2.94Å; G663-L666 PolarHBondContact O-N 3.19Å; G663-Y667 VanDerWaalsContact O-CB 3.23Å; G663-Y667 WeakPolarHBondContact O-CB 3.34Å; G663-Y667 PolarHBondContact O-N 3.42Å
664R95.7Very high96.8Very high20 Ų2010.4 Ų10.48%0.0755%0.052CC..Hα-helixtrans-60.3-45.7175.2-173.8173.773.395.6-9.2112.6Y48 E51 D584 A587 D588 S662 Y667 W668Y48-R664 HydrophobicContact CD2-CB 3.58Å; Y48-R664 HydrophobicContact CD2-CG 3.86Å; Y48-R664 HydrophobicContact CE2-CB 3.91Å; Y48-R664 HydrophobicContact CE2-CG 3.61Å; Y48-R664 HydrophobicContact CG-CB 4.14Å; E51-R664 WeakPolarHBondContact OE1-CB 3.25Å; E51-R664 PolarHBondContact OE1-N 3.18Å; D584-R664 VanDerWaalsContact CA-NH2 3.28Å; D584-R664 PolarHBondContact O-NH2 2.93Å; D584-R664 IonicContact OD1-CZ 3.8Å; D584-R664 IonicContact OD1-NE 3.46Å; D584-R664 IonicContact OD1-NH2 3.15Å; D584-R664 PolarHBondContact OD1-NH2 3.35Å; A587-R664 HydrophobicContact CB-CG 4.27Å; A587-R664 VanDerWaalsContact CB-CZ 3.43Å; D588-R664 IonicContact OD1-CZ 3.81Å; D588-R664 IonicContact OD1-NH1 3.68Å; D588-R664 PolarHBondContact OD1-NH1 3.46Å; D588-R664 IonicContact OD1-NH2 2.99Å; S662-R664 VanDerWaalsContact C-N 3.25Å; S662-R664 PolarHBondContact O-N 2.99Å; R664-Y667 PolarHBondContact O-N 3.27Å; R664-W668 PolarHBondContact O-N 2.89Å
665L97.6Very high96.4Very high4 Ų414 Ų142%0.0217%0.072CC..Hα-helixtrans-62.4-49.1177.117861.1000111.2L583 C586 A587 S662 Y667 W668 I669 L693L583-L665 HydrophobicContact CB-CD2 4.13Å; L583-L665 HydrophobicContact CD2-CD2 3.8Å; L583-L665 HydrophobicContact CG-CD2 4.38Å; C586-L665 HydrophobicContact CB-CD1 3.78Å; A587-L665 HydrophobicContact CB-CB 3.98Å; A587-L665 HydrophobicContact CB-CD1 3.97Å; S662-L665 PolarHBondContact O-N 3.32Å; S662-L665 PolarHBondContact OG-N 3.06Å; L665-Y667 VanDerWaalsContact C-N 3.3Å; L665-Y667 PolarHBondContact O-N 2.97Å; L665-W668 PolarHBondContact O-N 2.87Å; L665-I669 HydrophobicContact CD1-CD1 3.72Å; L665-I669 HydrophobicContact CD1-CG1 4.15Å; L665-I669 HydrophobicContact CG-CD1 3.99Å; L665-I669 WeakPolarHBondContact O-CG1 3.17Å; L665-I669 PolarHBondContact O-N 3.34Å; L665-L693 HydrophobicContact CD1-CD2 4.11Å; L665-L693 HydrophobicContact CD2-CD2 3.9Å; L665-L693 HydrophobicContact CG-CD2 4.47Å
666L98Very high96.3Very high3 Ų313.8 Ų13.82%0.0167%0.071CC..Hα-helixtrans-56.8-45.7178.3-72170.5000111.5A548 L549 C552 L610 F660 S662 G663 S670A548-L666 HydrophobicContact CB-CD2 4.5Å; A548-L666 WeakPolarHBondContact O-CD2 3.14Å; L549-L666 HydrophobicContact CB-CD2 4.33Å; L549-L666 HydrophobicContact CD1-CD1 4.32Å; L549-L666 HydrophobicContact CD1-CD2 4.26Å; C552-L666 HydrophobicContact CB-CD2 3.71Å; L610-L666 HydrophobicContact CD1-CB 4.04Å; L610-L666 HydrophobicContact CD2-CB 3.89Å; L610-L666 HydrophobicContact CD2-CD1 4.25Å; F660-L666 HydrophobicContact CD1-CD1 4.22Å; S662-L666 WeakPolarHBondContact O-CG 3.46Å; S662-L666 PolarHBondContact O-N 3.41Å; S662-L666 VanDerWaalsContact O-N 3.1Å; G663-L666 PolarHBondContact O-N 3.19Å; L666-S670 WeakPolarHBondContact O-CB 3.32Å; L666-S670 PolarHBondContact O-N 2.99Å; L666-S670 PolarHBondContact O-OG 3.32Å
667Y96.9Very high96.2Very high0 Ų018.4 Ų18.40%010%0.095CC..Hα-helixtrans-58.3-55176.2175.3-95.4000111.5Y48 F602 C603 D606 V607 G663 R664 L665 I669 S670 R671Y48-Y667 AromaticContact CD1-CD1 3.77Å; Y48-Y667 HydrophobicContact CD1-CD1 3.77Å; Y48-Y667 HydrophobicContact CD1-CD2 4.13Å; Y48-Y667 HydrophobicContact CD1-CE1 4.41Å; Y48-Y667 AromaticContact CD1-CG 3.61Å; Y48-Y667 HydrophobicContact CD1-CG 3.61Å; Y48-Y667 AromaticContact CE1-CD1 3.44Å; Y48-Y667 HydrophobicContact CE1-CD1 3.44Å; Y48-Y667 VanDerWaalsContact CE1-CD1 3.44Å; Y48-Y667 HydrophobicContact CE1-CD2 4.4Å; Y48-Y667 AromaticContact CE1-CE1 3.77Å; Y48-Y667 HydrophobicContact CE1-CE1 3.77Å; Y48-Y667 AromaticContact CE1-CG 3.8Å; Y48-Y667 HydrophobicContact CE1-CG 3.8Å; F602-Y667 WeakPolarHBondContact CA-OH 3.04Å; F602-Y667 HydrophobicContact CD2-CE2 4.41Å; F602-Y667 HydrophobicContact CE2-CE2 4.45Å; C603-Y667 HydrophobicContact CB-CE2 4.24Å; C603-Y667 PolarHBondContact N-OH 3.44Å; D606-Y667 HydrophobicContact CB-CD2 3.99Å; D606-Y667 HydrophobicContact CB-CE2 3.97Å; V607-Y667 HydrophobicContact CG2-CD2 3.66Å; V607-Y667 HydrophobicContact CG2-CE2 3.94Å; G663-Y667 VanDerWaalsContact O-CB 3.23Å; G663-Y667 WeakPolarHBondContact O-CB 3.34Å; G663-Y667 PolarHBondContact O-N 3.42Å; R664-Y667 PolarHBondContact O-N 3.27Å; L665-Y667 VanDerWaalsContact C-N 3.3Å; L665-Y667 PolarHBondContact O-N 2.97Å; Y667-I669 PolarHBondContact O-N 3.31Å; Y667-S670 WeakPolarHBondContact O-CA 3.42Å; Y667-S670 WeakPolarHBondContact O-CB 3.38Å; Y667-S670 PolarHBondContact O-N 3.09Å; Y667-S670 VanDerWaalsContact O-N 3.08Å; Y667-R671 HydrophobicContact CD1-CG 4.04Å; Y667-R671 HydrophobicContact CE1-CG 3.56Å; Y667-R671 HydrophobicContact CE2-CG 4.12Å; Y667-R671 HydrophobicContact CG-CG 4.49Å; Y667-R671 WeakPolarHBondContact O-CG 3.2Å; Y667-R671 PolarHBondContact O-N 3.36Å; Y667-R671 WeakPolarHBondContact OH-CD 2.99Å
668W96.5Very high96.2Very high4 Ų420.1 Ų20.12%0.01511%0.109CC..Hα-helixtrans-68-34.4-174.9-72.2117.4000113.8A590 K591 Y594 Y595 R664 L665 S670 R671 L672A590-W668 HydrophobicContact CB-CB 3.69Å; K591-W668 HydrophobicContact CB-CD2 3.75Å; K591-W668 HydrophobicContact CB-CE3 4.24Å; K591-W668 HydrophobicContact CB-CG 3.95Å; K591-W668 HydrophobicContact CB-CZ2 4.36Å; K591-W668 HydrophobicContact CD-CH2 4.46Å; K591-W668 HydrophobicContact CD-CZ2 3.8Å; K591-W668 HydrophobicContact CG-CD2 4Å; K591-W668 HydrophobicContact CG-CE3 4.27Å; K591-W668 HydrophobicContact CG-CH2 4.03Å; K591-W668 HydrophobicContact CG-CZ2 3.72Å; K591-W668 HydrophobicContact CG-CZ3 4.29Å; Y594-W668 HydrophobicContact CD1-CE3 4.31Å; Y594-W668 AromaticContact CD1-CZ3 3.7Å; Y594-W668 HydrophobicContact CD1-CZ3 3.7Å; Y594-W668 HydrophobicContact CE1-CZ3 4.21Å; Y594-W668 HydrophobicContact CG-CE3 4.45Å; Y594-W668 HydrophobicContact CG-CZ3 4.27Å; Y595-W668 HydrophobicContact CE1-CH2 4Å; Y595-W668 HydrophobicContact CE1-CZ3 4.16Å; R664-W668 PolarHBondContact O-N 2.89Å; L665-W668 PolarHBondContact O-N 2.87Å; W668-S670 VanDerWaalsContact C-N 3.33Å; W668-R671 HydrophobicContact CE3-CB 4.18Å; W668-R671 HydrophobicContact CE3-CG 3.99Å; W668-R671 HydrophobicContact CZ3-CG 4.22Å; W668-R671 PolarHBondContact O-N 3.32Å; W668-L672 WeakPolarHBondContact O-CD1 3.49Å; W668-L672 WeakPolarHBondContact O-CG 3.46Å; W668-L672 PolarHBondContact O-N 3.44Å; W668-L672 VanDerWaalsContact O-N 3.09Å
669I96.9Very high96.2Very high0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-63.8-43170.8-68.8174.7000110A548 A590 L665 Y667 R671 L672 L673 W689 L693A548-I669 HydrophobicContact CB-CB 4.09Å; A548-I669 HydrophobicContact CB-CG2 3.73Å; A590-I669 HydrophobicContact CB-CG1 4.41Å; L665-I669 HydrophobicContact CD1-CD1 3.72Å; L665-I669 HydrophobicContact CD1-CG1 4.15Å; L665-I669 HydrophobicContact CG-CD1 3.99Å; L665-I669 WeakPolarHBondContact O-CG1 3.17Å; L665-I669 PolarHBondContact O-N 3.34Å; Y667-I669 PolarHBondContact O-N 3.31Å; I669-R671 PolarHBondContact O-N 2.96Å; I669-L672 PolarHBondContact O-N 3.39Å; I669-L673 HydrophobicContact CG2-CD1 3.92Å; I669-L673 HydrophobicContact CG2-CG 4.39Å; I669-L673 VanDerWaalsContact O-CG 3.32Å; I669-L673 WeakPolarHBondContact O-CG 3.06Å; I669-L673 PolarHBondContact O-N 3.19Å; I669-W689 HydrophobicContact CG1-CE3 4.44Å; I669-L693 HydrophobicContact CD1-CD1 4.16Å; I669-L693 HydrophobicContact CD1-CD2 4.12Å
670S96.8Very high96.2Very high0 Ų027.3 Ų27.30%015%0.15CC..Hα-helixtrans-59.6-45.9176.4-56.10000111.5A548 L666 Y667 W668 L672 L673 Q674A548-S670 VanDerWaalsContact CB-OG 3.23Å; A548-S670 WeakPolarHBondContact CB-OG 3.4Å; L666-S670 WeakPolarHBondContact O-CB 3.32Å; L666-S670 PolarHBondContact O-N 2.99Å; L666-S670 PolarHBondContact O-OG 3.32Å; Y667-S670 WeakPolarHBondContact O-CA 3.42Å; Y667-S670 WeakPolarHBondContact O-CB 3.38Å; Y667-S670 PolarHBondContact O-N 3.09Å; Y667-S670 VanDerWaalsContact O-N 3.08Å; W668-S670 VanDerWaalsContact C-N 3.33Å; S670-L672 VanDerWaalsContact C-N 3.31Å; S670-L672 PolarHBondContact O-N 2.96Å; S670-L673 PolarHBondContact O-N 3.01Å; S670-Q674 PolarHBondContact O-N 3.16Å; S670-Q674 VanDerWaalsContact O-N 3.15Å
671R95Very high96.2Very high21 Ų2128.2 Ų28.28%0.07915%0.154CC..Hα-helixtrans-56.5-43.1175.8-65.4-51.8-65.2145.13.6112.5Y594 C603 D606 Y667 W668 I669 Q674Y594-R671 HydrophobicContact CD2-CB 3.89Å; Y594-R671 HydrophobicContact CE2-CB 3.93Å; Y594-R671 HydrophobicContact CG-CB 4.39Å; Y594-R671 PolarHBondContact OH-NH2 2.91Å; C603-R671 PolarHBondContact SG-NH1 3.02Å; D606-R671 WeakPolarHBondContact OD2-CD 3.23Å; D606-R671 IonicContact OD2-CZ 2.75Å; D606-R671 IonicContact OD2-NE 2.93Å; D606-R671 IonicContact OD2-NH1 3.85Å; D606-R671 PolarHBondContact OD2-NH1 3.27Å; Y667-R671 HydrophobicContact CD1-CG 4.04Å; Y667-R671 HydrophobicContact CE1-CG 3.56Å; Y667-R671 HydrophobicContact CE2-CG 4.12Å; Y667-R671 HydrophobicContact CG-CG 4.49Å; Y667-R671 WeakPolarHBondContact O-CG 3.2Å; Y667-R671 PolarHBondContact O-N 3.36Å; Y667-R671 WeakPolarHBondContact OH-CD 2.99Å; W668-R671 HydrophobicContact CE3-CB 4.18Å; W668-R671 HydrophobicContact CE3-CG 3.99Å; W668-R671 HydrophobicContact CZ3-CG 4.22Å; W668-R671 PolarHBondContact O-N 3.32Å; I669-R671 PolarHBondContact O-N 2.96Å; R671-Q674 PolarHBondContact O-N 3.25Å
672L94.8Very high96.2Very high16 Ų1629.1 Ų29.18%0.08416%0.156CC..Hα-helixtrans-65.5-41.2178.4-75.5161.5000112.4A590 V593 Y594 W668 I669 S670 Q674 N675 W689A590-L672 HydrophobicContact CB-CD1 3.65Å; A590-L672 WeakPolarHBondContact O-CD1 3.28Å; V593-L672 HydrophobicContact CB-CD2 4.02Å; V593-L672 HydrophobicContact CG1-CD2 3.68Å; Y594-L672 HydrophobicContact CD2-CD2 4.4Å; W668-L672 WeakPolarHBondContact O-CD1 3.49Å; W668-L672 WeakPolarHBondContact O-CG 3.46Å; W668-L672 PolarHBondContact O-N 3.44Å; W668-L672 VanDerWaalsContact O-N 3.09Å; I669-L672 PolarHBondContact O-N 3.39Å; S670-L672 VanDerWaalsContact C-N 3.31Å; S670-L672 PolarHBondContact O-N 2.96Å; L672-Q674 VanDerWaalsContact C-N 3.26Å; L672-Q674 PolarHBondContact O-N 3.07Å; L672-N675 PolarHBondContact O-N 2.89Å; L672-W689 HydrophobicContact CB-CZ2 4.45Å; L672-W689 HydrophobicContact CD1-CH2 3.45Å; L672-W689 VanDerWaalsContact CD1-CH2 3.45Å; L672-W689 HydrophobicContact CD1-CZ2 3.14Å; L672-W689 HydrophobicContact CD1-CZ3 4.44Å; L672-W689 HydrophobicContact CG-CZ2 4.23Å
673L95.8Very high96.2Very high0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-69.8-23.8-179.3-66.7172.8000113P544 L547 I669 S670 N675 V676 R681 R684 V685P544-L673 HydrophobicContact CB-CB 3.89Å; L547-L673 HydrophobicContact CB-CD1 3.91Å; L547-L673 HydrophobicContact CD1-CD1 4.32Å; I669-L673 HydrophobicContact CG2-CD1 3.92Å; I669-L673 HydrophobicContact CG2-CG 4.39Å; I669-L673 VanDerWaalsContact O-CG 3.32Å; I669-L673 WeakPolarHBondContact O-CG 3.06Å; I669-L673 PolarHBondContact O-N 3.19Å; S670-L673 PolarHBondContact O-N 3.01Å; L673-N675 PolarHBondContact O-N 3.01Å; L673-V676 PolarHBondContact O-N 2.77Å; L673-V676 VanDerWaalsContact O-N 3.16Å; L673-R681 PolarHBondContact O-NE 3.05Å; L673-R684 HydrophobicContact CD2-CG 4.49Å; L673-V685 HydrophobicContact CD1-CG2 3.43Å; L673-V685 VanDerWaalsContact CD1-CG2 3.43Å; L673-V685 HydrophobicContact CD2-CG2 3.38Å; L673-V685 HydrophobicContact CG-CG2 4.01Å
674Q93.1Very high96.2Very high43 Ų4337.6 Ų37.620%0.20119%0.19CC..Hα-helixtrans-61.6-31.5172.1-69.7-164.65.800112.8P544 D606 S670 R671 L672 V676 R681P544-Q674 HydrophobicContact CB-CG 4.1Å; P544-Q674 HydrophobicContact CG-CG 3.94Å; D606-Q674 PolarHBondContact OD1-NE2 2.72Å; D606-Q674 PolarHBondContact OD2-NE2 2.86Å; S670-Q674 PolarHBondContact O-N 3.16Å; S670-Q674 VanDerWaalsContact O-N 3.15Å; R671-Q674 PolarHBondContact O-N 3.25Å; L672-Q674 VanDerWaalsContact C-N 3.26Å; L672-Q674 PolarHBondContact O-N 3.07Å; Q674-V676 VanDerWaalsContact C-N 3.29Å; Q674-V676 PolarHBondContact O-N 3.49Å; Q674-R681 PolarHBondContact O-NH2 3.43Å
675N90.9Very high96.3Very high89 Ų8936.7 Ų36.748%0.47619%0.186SC..THydrogen-bonded Turntrans-86.51.9178.7-66.1-18.1000113.6Y594 N598 L672 L673Y594-N675 WeakPolarHBondContact CE2-ND2 3.34Å; N598-N675 VanDerWaalsContact CG-ND2 3.33Å; N598-N675 PolarHBondContact ND2-ND2 3.44Å; N598-N675 PolarHBondContact OD1-ND2 3.23Å; L672-N675 PolarHBondContact O-N 2.89Å; L673-N675 PolarHBondContact O-N 3.01Å
676V94.5Very high96.3Very high31 Ų3138.7 Ų38.719%0.18820%0.195CC..SBendtrans-100.9138.2176.2179.60000108L673 Q674 E680 R681 R684L673-V676 PolarHBondContact O-N 2.77Å; L673-V676 VanDerWaalsContact O-N 3.16Å; Q674-V676 VanDerWaalsContact C-N 3.29Å; Q674-V676 PolarHBondContact O-N 3.49Å; V676-E680 HydrophobicContact CG1-CB 3.88Å; V676-R681 HydrophobicContact CB-CG 3.97Å; V676-R681 HydrophobicContact CG1-CG 3.98Å; V676-R681 PolarHBondContact O-NE 2.64Å; V676-R681 PolarHBondContact O-NH2 2.78Å; V676-R684 HydrophobicContact CG1-CB 4.28Å; V676-R684 HydrophobicContact CG1-CG 4.47Å; V676-R684 HydrophobicContact CG2-CG 4.26Å
677D96.6Very high96.2Very high97 Ų9743 Ų4352%0.51922%0.218SC..  trans-51.5132.6174.1-174-81.3000110.1S679 E680 R681D677-S679 PolarHBondContact O-N 2.87Å; D677-S679 VanDerWaalsContact O-N 3.1Å; D677-S679 PolarHBondContact OD1-N 3.48Å; D677-S679 PolarHBondContact OD1-OG 2.89Å; D677-E680 HydrophobicContact CB-CB 4.49Å; D677-E680 HydrophobicContact CB-CG 4.31Å; D677-E680 PolarHBondContact O-N 3.44Å; D677-R681 WeakPolarHBondContact O-CG 3.31Å; D677-R681 PolarHBondContact O-N 3.33Å
678P97.3Very high96.1Very high56 Ų5646.6 Ų46.636%0.36423%0.232SC..THydrogen-bonded Turntrans-46.8-39-179.7-30.535.9000115.2T542 E680T542-P678 HydrophobicContact CG2-CB 4.31Å; T542-P678 WeakPolarHBondContact CG2-O 3.26Å; P678-E680 VanDerWaalsContact C-N 3.28Å; P678-E680 PolarHBondContact O-N 3.23Å
679S96.5Very high96Very high73 Ų7346.7 Ų46.751%0.5123%0.233SC..THydrogen-bonded Turntrans-68.9-27.6-179.870.60000113D677D677-S679 PolarHBondContact O-N 2.87Å; D677-S679 VanDerWaalsContact O-N 3.1Å; D677-S679 PolarHBondContact OD1-N 3.48Å; D677-S679 PolarHBondContact OD1-OG 2.89Å
680E97.4Very high96.1Very high98 Ų9846.7 Ų46.746%0.45823%0.233SC..THydrogen-bonded Turntrans-92.4-15.8-175.6-62.3-50.4123.500113.5V676 D677 P678 F682 H683 R684V676-E680 HydrophobicContact CG1-CB 3.88Å; D677-E680 HydrophobicContact CB-CB 4.49Å; D677-E680 HydrophobicContact CB-CG 4.31Å; D677-E680 PolarHBondContact O-N 3.44Å; P678-E680 VanDerWaalsContact C-N 3.28Å; P678-E680 PolarHBondContact O-N 3.23Å; E680-F682 PolarHBondContact O-N 3.2Å; E680-H683 PolarHBondContact O-N 3.48Å; E680-R684 WeakPolarHBondContact O-CB 3.49Å; E680-R684 PolarHBondContact O-N 2.95Å
681R97.8Very high96Very high20 Ų2048 Ų488%0.07524%0.241CC..Hα-helixtrans-54.6-47.7-174.2-73.1173.4-171.5170.8-1112.6T542 L547 L673 Q674 V676 D677 H683 R684 V685T542-R681 VanDerWaalsContact O-CD 3.23Å; T542-R681 WeakPolarHBondContact O-CD 3.31Å; T542-R681 PolarHBondContact O-NH1 3.3Å; L547-R681 HydrophobicContact CD1-CB 3.55Å; L673-R681 PolarHBondContact O-NE 3.05Å; Q674-R681 PolarHBondContact O-NH2 3.43Å; V676-R681 HydrophobicContact CB-CG 3.97Å; V676-R681 HydrophobicContact CG1-CG 3.98Å; V676-R681 PolarHBondContact O-NE 2.64Å; V676-R681 PolarHBondContact O-NH2 2.78Å; D677-R681 WeakPolarHBondContact O-CG 3.31Å; D677-R681 PolarHBondContact O-N 3.33Å; R681-H683 PolarHBondContact O-N 2.92Å; R681-R684 PolarHBondContact O-N 3.17Å; R681-V685 WeakPolarHBondContact O-CG2 3.42Å; R681-V685 PolarHBondContact O-N 3.34Å
682F98Very high96.1Very high26 Ų2650.8 Ų50.811%0.11425%0.254CS..Hα-helixtrans-59.9-49.6-179.7178-96.3000112L547 E680 R684 V685 K686 Y711 F715L547-F682 HydrophobicContact CD2-CB 4.46Å; L547-F682 HydrophobicContact CD2-CD2 3.98Å; E680-F682 PolarHBondContact O-N 3.2Å; F682-R684 VanDerWaalsContact C-N 3.34Å; F682-R684 PolarHBondContact O-N 2.9Å; F682-V685 PolarHBondContact O-N 2.95Å; F682-K686 HydrophobicContact CE1-CD 4Å; F682-K686 HydrophobicContact CZ-CD 4.26Å; F682-K686 WeakPolarHBondContact O-CB 3.4Å; F682-K686 PolarHBondContact O-N 3.16Å; F682-Y711 AromaticContact CD2-CE1 3.91Å; F682-Y711 HydrophobicContact CD2-CE1 3.91Å; F682-Y711 AromaticContact CE2-CD1 3.86Å; F682-Y711 HydrophobicContact CE2-CD1 3.86Å; F682-Y711 AromaticContact CE2-CE1 3.47Å; F682-Y711 HydrophobicContact CE2-CE1 3.47Å; F682-Y711 VanDerWaalsContact CE2-CE1 3.47Å; F682-Y711 HydrophobicContact CZ-CD1 4.09Å; F682-Y711 HydrophobicContact CZ-CE1 4.11Å; F682-F715 HydrophobicContact CD2-CD1 4.46Å; F682-F715 HydrophobicContact CD2-CD2 4.3Å; F682-F715 HydrophobicContact CD2-CG 4.26Å; F682-F715 HydrophobicContact CE2-CB 3.95Å; F682-F715 HydrophobicContact CE2-CD1 4.27Å; F682-F715 AromaticContact CE2-CD2 3.59Å; F682-F715 HydrophobicContact CE2-CD2 3.59Å; F682-F715 HydrophobicContact CE2-CE2 4.14Å; F682-F715 AromaticContact CE2-CG 3.65Å; F682-F715 HydrophobicContact CE2-CG 3.65Å; F682-F715 HydrophobicContact CZ-CB 4.46Å
683H97.3Very high96.2Very high96 Ų9650.1 Ų50.144%0.44425%0.25SS..Hα-helixtrans-64.1-40.2179-67.3-63.8000111.7E680 R681 V685 K686 N687E680-H683 PolarHBondContact O-N 3.48Å; R681-H683 PolarHBondContact O-N 2.92Å; H683-V685 VanDerWaalsContact C-N 3.34Å; H683-V685 PolarHBondContact O-N 2.8Å; H683-K686 PolarHBondContact O-N 3.14Å; H683-N687 VanDerWaalsContact O-CB 3.26Å; H683-N687 WeakPolarHBondContact O-CB 3.28Å; H683-N687 PolarHBondContact O-N 3.26Å; H683-N687 PolarHBondContact O-ND2 3.01Å
684R96.5Very high96.2Very high93 Ų9350.5 Ų50.535%0.35125%0.252SS..Hα-helixtrans-59.8-44.5175.1-174.262.9172.2163.6-0.5111.4L673 V676 E680 R681 F682 Y688 W689L673-R684 HydrophobicContact CD2-CG 4.49Å; V676-R684 HydrophobicContact CG1-CB 4.28Å; V676-R684 HydrophobicContact CG1-CG 4.47Å; V676-R684 HydrophobicContact CG2-CG 4.26Å; E680-R684 WeakPolarHBondContact O-CB 3.49Å; E680-R684 PolarHBondContact O-N 2.95Å; R681-R684 PolarHBondContact O-N 3.17Å; F682-R684 VanDerWaalsContact C-N 3.34Å; F682-R684 PolarHBondContact O-N 2.9Å; R684-Y688 VanDerWaalsContact NH1-CD2 3.28Å; R684-Y688 WeakPolarHBondContact O-CA 3.45Å; R684-Y688 WeakPolarHBondContact O-CB 3.34Å; R684-Y688 PolarHBondContact O-N 3.02Å; R684-W689 PolarHBondContact O-N 3.1Å
685V97.4Very high96.1Very high0 Ų049.7 Ų49.70%025%0.249CC..Iπ-helixtrans-66-51.9177.7173.80000111.3L547 C551 L673 R681 F682 H683 N687 W689 L690 Y711L547-V685 HydrophobicContact CB-CG2 4.1Å; L547-V685 HydrophobicContact CD1-CG2 4.35Å; C551-V685 HydrophobicContact CB-CG1 3.32Å; L673-V685 HydrophobicContact CD1-CG2 3.43Å; L673-V685 VanDerWaalsContact CD1-CG2 3.43Å; L673-V685 HydrophobicContact CD2-CG2 3.38Å; L673-V685 HydrophobicContact CG-CG2 4.01Å; R681-V685 WeakPolarHBondContact O-CG2 3.42Å; R681-V685 PolarHBondContact O-N 3.34Å; F682-V685 PolarHBondContact O-N 2.95Å; H683-V685 VanDerWaalsContact C-N 3.34Å; H683-V685 PolarHBondContact O-N 2.8Å; V685-N687 PolarHBondContact O-N 2.83Å; V685-W689 PolarHBondContact O-N 2.81Å; V685-L690 WeakPolarHBondContact O-CB 3.33Å; V685-L690 PolarHBondContact O-N 3.37Å; V685-Y711 HydrophobicContact CG1-CE1 4.18Å; V685-Y711 HydrophobicContact CG1-CE2 4.5Å; V685-Y711 WeakPolarHBondContact CG1-OH 3.5Å
686K97.5Very high95.8Very high46 Ų4656.5 Ų56.520%0.227%0.268CS..Iπ-helixtrans-61.5-41.5-176.4-179.5179.8168.1178.90113.4F682 H683 Q708 Y711 T712F682-K686 HydrophobicContact CE1-CD 4Å; F682-K686 HydrophobicContact CZ-CD 4.26Å; F682-K686 WeakPolarHBondContact O-CB 3.4Å; F682-K686 PolarHBondContact O-N 3.16Å; H683-K686 PolarHBondContact O-N 3.14Å; K686-Q708 HydrophobicContact CG-CG 4.38Å; K686-Q708 PolarHBondContact O-NE2 3.49Å; K686-Q708 VanDerWaalsContact O-NE2 3.11Å; K686-Y711 HydrophobicContact CB-CD1 4.02Å; K686-Y711 HydrophobicContact CB-CE1 4.25Å; K686-Y711 HydrophobicContact CG-CD1 4.27Å; K686-T712 VanDerWaalsContact CE-OG1 3.27Å; K686-T712 WeakPolarHBondContact CE-OG1 3.43Å; K686-T712 PolarHBondContact NZ-OG1 3.08Å
687N96.5Very high95.2Very high94 Ų9455.7 Ų55.750%0.50326%0.263SS..Iπ-helixtrans-97.4-23.1-170.4-61.9-25.8000113.4H683 V685H683-N687 VanDerWaalsContact O-CB 3.26Å; H683-N687 WeakPolarHBondContact O-CB 3.28Å; H683-N687 PolarHBondContact O-N 3.26Å; H683-N687 PolarHBondContact O-ND2 3.01Å; V685-N687 PolarHBondContact O-N 2.83Å
688Y95Very high94.5Very high75 Ų7557.1 Ų57.129%0.29427%0.271SS..Iπ-helixtrans-115.2-52.2-176-176.7-97.2000113.5R684 K692R684-Y688 VanDerWaalsContact NH1-CD2 3.28Å; R684-Y688 WeakPolarHBondContact O-CA 3.45Å; R684-Y688 WeakPolarHBondContact O-CB 3.34Å; R684-Y688 PolarHBondContact O-N 3.02Å; Y688-K692 HydrophobicContact CE1-CD 4.2Å; Y688-K692 VanDerWaalsContact CZ-CE 3.46Å; Y688-K692 WeakPolarHBondContact O-CG 3.18Å; Y688-K692 PolarHBondContact OH-NZ 3.47Å
689W95.4Very high93.9Very high7 Ų757 Ų573%0.02727%0.271CS..Iπ-helixtrans-78.3-46.3-175.9-75.2111000112.7A590 I669 L672 R684 V685 K692 L693A590-W689 HydrophobicContact CB-CH2 4Å; A590-W689 HydrophobicContact CB-CZ3 4.05Å; I669-W689 HydrophobicContact CG1-CE3 4.44Å; L672-W689 HydrophobicContact CB-CZ2 4.45Å; L672-W689 HydrophobicContact CD1-CH2 3.45Å; L672-W689 VanDerWaalsContact CD1-CH2 3.45Å; L672-W689 HydrophobicContact CD1-CZ2 3.14Å; L672-W689 HydrophobicContact CD1-CZ3 4.44Å; L672-W689 HydrophobicContact CG-CZ2 4.23Å; R684-W689 PolarHBondContact O-N 3.1Å; V685-W689 PolarHBondContact O-N 2.81Å; W689-K692 HydrophobicContact CE3-CD 4.34Å; W689-K692 HydrophobicContact CZ3-CD 4.34Å; W689-K692 WeakPolarHBondContact O-CB 3.38Å; W689-K692 PolarHBondContact O-N 3.37Å; W689-L693 WeakPolarHBondContact O-CG 3.45Å; W689-L693 PolarHBondContact O-N 3.44Å
690L97Very high93.5Very high0 Ų055.7 Ų55.70%026%0.26CS..Hα-helixtrans-56-45.8-176.9-178.563.6000112.6C551 A555 V685 K692 L693 V707 Q708 Y711C551-L690 HydrophobicContact CB-CD1 4.48Å; A555-L690 HydrophobicContact CB-CD1 3.99Å; V685-L690 WeakPolarHBondContact O-CB 3.33Å; V685-L690 PolarHBondContact O-N 3.37Å; L690-K692 VanDerWaalsContact C-N 3.31Å; L690-K692 PolarHBondContact O-N 3.36Å; L690-L693 PolarHBondContact O-N 3.46Å; L690-V707 HydrophobicContact CD1-CB 4.36Å; L690-V707 HydrophobicContact CD1-CG2 4.3Å; L690-V707 HydrophobicContact CD2-CB 4.15Å; L690-V707 HydrophobicContact CD2-CG2 3.93Å; L690-V707 HydrophobicContact CG-CB 4.32Å; L690-V707 HydrophobicContact CG-CG2 3.86Å; L690-Q708 HydrophobicContact CD2-CG 4.2Å; L690-Y711 HydrophobicContact CD2-CG 4.09Å
691P96.3Very high93.1Very high28 Ų2857.4 Ų57.418%0.18227%0.272CS..Hα-helixtrans-62-33.1174.4-25.736.7000114.4L693 L694 Q704P691-L693 VanDerWaalsContact C-N 3.28Å; P691-L693 PolarHBondContact O-N 3.34Å; P691-L694 PolarHBondContact O-N 3.26Å; P691-Q704 HydrophobicContact CB-CG 4.25Å; P691-Q704 HydrophobicContact CG-CG 4.2Å
692K96Very high92.9Very high78 Ų7861.9 Ų61.934%0.33929%0.294SS..Hα-helixtrans-72.5-21.2179.3-74.4-176.5173.3-162.50113.8H582 C586 Y688 W689 L690 L694H582-K692 PolarHBondContact NE2-O 3.42Å; C586-K692 PolarHBondContact SG-O 3.41Å; C586-K692 VanDerWaalsContact SG-O 3.34Å; Y688-K692 HydrophobicContact CE1-CD 4.2Å; Y688-K692 VanDerWaalsContact CZ-CE 3.46Å; Y688-K692 WeakPolarHBondContact O-CG 3.18Å; Y688-K692 PolarHBondContact OH-NZ 3.47Å; W689-K692 HydrophobicContact CE3-CD 4.34Å; W689-K692 HydrophobicContact CZ3-CD 4.34Å; W689-K692 WeakPolarHBondContact O-CB 3.38Å; W689-K692 PolarHBondContact O-N 3.37Å; L690-K692 VanDerWaalsContact C-N 3.31Å; L690-K692 PolarHBondContact O-N 3.36Å; K692-L694 VanDerWaalsContact C-N 3.26Å
693L96.9Very high92.7Very high2 Ų260.7 Ų60.71%0.0129%0.289CS..THydrogen-bonded Turntrans-81.4-6.9177.6-65.6176.2000112.7A555 N559 H582 C586 L665 I669 W689 L690 P691A555-L693 HydrophobicContact CB-CB 3.5Å; A555-L693 HydrophobicContact CB-CD1 4.02Å; A555-L693 HydrophobicContact CB-CG 4.41Å; N559-L693 PolarHBondContact ND2-O 2.65Å; H582-L693 VanDerWaalsContact NE2-C 3.33Å; H582-L693 PolarHBondContact NE2-O 3.15Å; C586-L693 HydrophobicContact CB-CD2 3.9Å; L665-L693 HydrophobicContact CD1-CD2 4.11Å; L665-L693 HydrophobicContact CD2-CD2 3.9Å; L665-L693 HydrophobicContact CG-CD2 4.47Å; I669-L693 HydrophobicContact CD1-CD1 4.16Å; I669-L693 HydrophobicContact CD1-CD2 4.12Å; W689-L693 WeakPolarHBondContact O-CG 3.45Å; W689-L693 PolarHBondContact O-N 3.44Å; L690-L693 PolarHBondContact O-N 3.46Å; P691-L693 VanDerWaalsContact C-N 3.28Å; P691-L693 PolarHBondContact O-N 3.34Å
694L95.7Very high92.6Very high8 Ų859.1 Ų59.14%0.04228%0.282CS..SBendtrans-88.8135.4-179.4-52.7178000110.9A555 N559 H582 P691 K692 Q703 Q704 V707A555-L694 HydrophobicContact CB-CD2 4.21Å; N559-L694 WeakPolarHBondContact OD1-CA 3.48Å; H582-L694 PolarHBondContact CE1-O 3.18Å; H582-L694 PolarHBondContact NE2-O 2.75Å; P691-L694 PolarHBondContact O-N 3.26Å; K692-L694 VanDerWaalsContact C-N 3.26Å; L694-Q703 HydrophobicContact CD1-CG 4.25Å; L694-Q703 HydrophobicContact CD2-CG 4.49Å; L694-Q704 HydrophobicContact CD1-CB 3.98Å; L694-Q704 HydrophobicContact CD1-CG 4.42Å; L694-V707 HydrophobicContact CD1-CG2 3.74Å; L694-V707 HydrophobicContact CD2-CG1 3.98Å; L694-V707 HydrophobicContact CD2-CG2 4.12Å; L694-V707 HydrophobicContact CG-CG2 4.43Å
695I91Very high92.5Very high26 Ų2662 Ų6213%0.13329%0.294CS..  trans-75133.6171.8-64.7167.8000108.4N559 V563 I579 H582 T697 Q703N559-I695 HydrophobicContact CB-CD1 4.26Å; N559-I695 PolarHBondContact OD1-N 3.37Å; V563-I695 HydrophobicContact CG2-CB 4.14Å; V563-I695 HydrophobicContact CG2-CD1 3.88Å; V563-I695 HydrophobicContact CG2-CG2 4.11Å; I579-I695 HydrophobicContact CB-CD1 3.97Å; I579-I695 HydrophobicContact CG1-CD1 3.46Å; I579-I695 VanDerWaalsContact CG1-CD1 3.46Å; I579-I695 HydrophobicContact CG2-CD1 4.24Å; H582-I695 HydrophobicContact CB-CD1 4.09Å; H582-I695 HydrophobicContact CB-CG1 3.82Å; H582-I695 VanDerWaalsContact CD2-CG1 3.46Å; H582-I695 WeakPolarHBondContact CD2-CG1 3.41Å; I695-T697 PolarHBondContact O-N 2.94Å; I695-T697 VanDerWaalsContact O-N 3.09Å; I695-Q703 PolarHBondContact O-OE1 2.99Å
696R85.3Confident92.4Very high232 Ų23264 Ų6488%0.87531%0.307SS*.  trans-65.2114176-67.3-175.9179.3-178.2-1.2109.2
697T82.6Confident92.4Very high14 Ų1461.9 Ų61.99%0.08630%0.298CS..  trans-119.2169.2171.761.20000109.1F562 V563 I695 S699 V700 Q703F562-T697 HydrophobicContact CB-CG2 4.29Å; V563-T697 HydrophobicContact CG2-CG2 4.37Å; I695-T697 PolarHBondContact O-N 2.94Å; I695-T697 VanDerWaalsContact O-N 3.09Å; T697-S699 PolarHBondContact O-N 3.19Å; T697-V700 WeakPolarHBondContact O-CB 3.49Å; T697-V700 PolarHBondContact O-N 3.41Å; T697-V700 VanDerWaalsContact O-N 3.14Å; T697-Q703 PolarHBondContact OG1-OE1 2.95Å
698N81.3Confident92.4Very high128 Ų12859.2 Ų59.268%0.68428%0.283SS*.THydrogen-bonded Turntrans-56.7-22174.5-72.7-42.3000113.5D566D566-N698 PolarHBondContact OD1-ND2 3.34Å; D566-N698 PolarHBondContact OD2-N 3.45Å
699S85.1Confident92.6Very high53 Ų5361.6 Ų61.637%0.37130%0.295SS..THydrogen-bonded Turntrans-10925.4-179.7-57.80000113.8T697 N701 Q702 Q703T697-S699 PolarHBondContact O-N 3.19Å; S699-N701 VanDerWaalsContact C-N 3.3Å; S699-N701 PolarHBondContact O-N 3.17Å; S699-N701 VanDerWaalsContact O-N 3.17Å; S699-Q702 WeakPolarHBondContact O-CB 3.3Å; S699-Q702 PolarHBondContact O-N 3.2Å; S699-Q702 VanDerWaalsContact O-N 3.08Å; S699-Q703 PolarHBondContact O-N 2.91Å
700V86.7Confident92.7Very high45 Ų4563.6 Ų63.627%0.27331%0.306SS..Hα-helixtrans-55.1-37.5-172.269.20000114.4T697 Q703 Q704T697-V700 WeakPolarHBondContact O-CB 3.49Å; T697-V700 PolarHBondContact O-N 3.41Å; T697-V700 VanDerWaalsContact O-N 3.14Å; V700-Q703 WeakPolarHBondContact O-CB 3.43Å; V700-Q703 PolarHBondContact O-N 2.77Å; V700-Q704 WeakPolarHBondContact O-CB 3.43Å; V700-Q704 PolarHBondContact O-N 3.19Å
701N90.7Very high92.7Very high134 Ų13463.6 Ų63.672%0.71731%0.306SS*.Hα-helixtrans-66.9-42178.9-71.5-24.2000111.9S699 Y705S699-N701 VanDerWaalsContact C-N 3.3Å; S699-N701 PolarHBondContact O-N 3.17Å; S699-N701 VanDerWaalsContact O-N 3.17Å; N701-Y705 PolarHBondContact O-N 3.06Å; N701-Y705 VanDerWaalsContact O-N 3.1Å
702Q92.3Very high92.8Very high115 Ų11564 Ų6454%0.53731%0.308SS..Hα-helixtrans-64.9-44.3174.5-178-176.25.200110.3S699 Q704 Y705 C706S699-Q702 WeakPolarHBondContact O-CB 3.3Å; S699-Q702 PolarHBondContact O-N 3.2Å; S699-Q702 VanDerWaalsContact O-N 3.08Å; Q702-Q704 PolarHBondContact O-N 2.97Å; Q702-Y705 PolarHBondContact O-N 3.29Å; Q702-C706 WeakPolarHBondContact O-CB 3.43Å; Q702-C706 PolarHBondContact O-N 3.17Å; Q702-C706 PolarHBondContact O-SG 2.98Å; Q702-C706 VanDerWaalsContact O-SG 3.35Å
703Q94.1Very high92.9Very high0 Ų064 Ų640%031%0.308CS..Hα-helixtrans-56.4-50.1176.6-168.9-177.94.600111.2S558 N559 F562 L694 I695 T697 S699 V700 Y705 C706 V707S558-Q703 WeakPolarHBondContact OG-CG 3.38Å; S558-Q703 PolarHBondContact OG-NE2 3.36Å; S558-Q703 VanDerWaalsContact OG-NE2 3.09Å; N559-Q703 PolarHBondContact OD1-NE2 3.4Å; F562-Q703 HydrophobicContact CB-CG 4.33Å; F562-Q703 HydrophobicContact CD1-CB 3.74Å; F562-Q703 HydrophobicContact CD1-CG 3.91Å; F562-Q703 HydrophobicContact CD2-CB 4.32Å; F562-Q703 HydrophobicContact CD2-CG 3.7Å; F562-Q703 HydrophobicContact CE1-CB 3.63Å; F562-Q703 HydrophobicContact CE1-CG 4.09Å; F562-Q703 HydrophobicContact CE2-CB 4.22Å; F562-Q703 HydrophobicContact CE2-CG 3.88Å; F562-Q703 HydrophobicContact CG-CB 4.09Å; F562-Q703 HydrophobicContact CG-CG 3.7Å; F562-Q703 HydrophobicContact CZ-CB 3.88Å; F562-Q703 HydrophobicContact CZ-CG 4.07Å; L694-Q703 HydrophobicContact CD1-CG 4.25Å; L694-Q703 HydrophobicContact CD2-CG 4.49Å; I695-Q703 PolarHBondContact O-OE1 2.99Å; T697-Q703 PolarHBondContact OG1-OE1 2.95Å; S699-Q703 PolarHBondContact O-N 2.91Å; V700-Q703 WeakPolarHBondContact O-CB 3.43Å; V700-Q703 PolarHBondContact O-N 2.77Å; Q703-Y705 PolarHBondContact O-N 2.93Å; Q703-C706 PolarHBondContact O-N 3.48Å; Q703-V707 PolarHBondContact O-N 3.49Å
704Q95.6Very high93Very high63 Ų6363.9 Ų63.929%0.29431%0.308SS..Hα-helixtrans-59.6-45.2179.5-175.5175.5-28.400112.1P691 L694 V700 Q702 V707 Q708P691-Q704 HydrophobicContact CB-CG 4.25Å; P691-Q704 HydrophobicContact CG-CG 4.2Å; L694-Q704 HydrophobicContact CD1-CB 3.98Å; L694-Q704 HydrophobicContact CD1-CG 4.42Å; V700-Q704 WeakPolarHBondContact O-CB 3.43Å; V700-Q704 PolarHBondContact O-N 3.19Å; Q702-Q704 PolarHBondContact O-N 2.97Å; Q704-V707 VanDerWaalsContact O-CG2 3.24Å; Q704-V707 WeakPolarHBondContact O-CG2 3.07Å; Q704-V707 PolarHBondContact O-N 3.37Å; Q704-Q708 WeakPolarHBondContact O-CG 3.45Å; Q704-Q708 PolarHBondContact O-N 3.33Å; Q704-Q708 VanDerWaalsContact O-N 3.11Å
705Y95Very high93.1Very high153 Ų15363.6 Ų63.660%0.631%0.306SS*.Hα-helixtrans-60.3-46.8176.3175.8-97.2000111.8N701 Q702 Q703 Q708 K709N701-Y705 PolarHBondContact O-N 3.06Å; N701-Y705 VanDerWaalsContact O-N 3.1Å; Q702-Y705 PolarHBondContact O-N 3.29Å; Q703-Y705 PolarHBondContact O-N 2.93Å; Y705-Q708 PolarHBondContact O-N 2.89Å; Y705-K709 HydrophobicContact CE1-CD 4.39Å; Y705-K709 WeakPolarHBondContact O-CB 3.38Å; Y705-K709 PolarHBondContact O-N 2.9Å
706C95.2Very high93.4Very high42 Ų4267.2 Ų67.228%0.28433%0.326SS..Hα-helixtrans-58.7-50178-740000111.8Q702 Q703 Q708 K709 D710Q702-C706 WeakPolarHBondContact O-CB 3.43Å; Q702-C706 PolarHBondContact O-N 3.17Å; Q702-C706 PolarHBondContact O-SG 2.98Å; Q702-C706 VanDerWaalsContact O-SG 3.35Å; Q703-C706 PolarHBondContact O-N 3.48Å; C706-Q708 PolarHBondContact O-N 3.25Å; C706-K709 WeakPolarHBondContact O-CB 3.37Å; C706-K709 PolarHBondContact O-N 3.35Å; C706-D710 WeakPolarHBondContact O-CB 3.37Å; C706-D710 PolarHBondContact O-N 3.27Å
707V96.7Very high94Very high2 Ų256.4 Ų56.41%0.01229%0.285CS..Hα-helixtrans-66.2-36.2-178.1-62.10000113I554 S558 L690 L694 Q703 Q704 K709 D710 Y711I554-V707 HydrophobicContact CG2-CB 4.02Å; I554-V707 HydrophobicContact CG2-CG1 4.26Å; S558-V707 VanDerWaalsContact OG-CG1 3.22Å; S558-V707 WeakPolarHBondContact OG-CG1 3.14Å; L690-V707 HydrophobicContact CD1-CB 4.36Å; L690-V707 HydrophobicContact CD1-CG2 4.3Å; L690-V707 HydrophobicContact CD2-CB 4.15Å; L690-V707 HydrophobicContact CD2-CG2 3.93Å; L690-V707 HydrophobicContact CG-CB 4.32Å; L690-V707 HydrophobicContact CG-CG2 3.86Å; L694-V707 HydrophobicContact CD1-CG2 3.74Å; L694-V707 HydrophobicContact CD2-CG1 3.98Å; L694-V707 HydrophobicContact CD2-CG2 4.12Å; L694-V707 HydrophobicContact CG-CG2 4.43Å; Q703-V707 PolarHBondContact O-N 3.49Å; Q704-V707 VanDerWaalsContact O-CG2 3.24Å; Q704-V707 WeakPolarHBondContact O-CG2 3.07Å; Q704-V707 PolarHBondContact O-N 3.37Å; V707-K709 VanDerWaalsContact C-N 3.33Å; V707-D710 PolarHBondContact O-N 3.21Å; V707-Y711 VanDerWaalsContact O-CB 3.23Å; V707-Y711 WeakPolarHBondContact O-CB 3.35Å; V707-Y711 PolarHBondContact O-N 3.43Å
708Q97.5Very high94.7Very high39 Ų3955.8 Ų55.818%0.18228%0.281CS..Hα-helixtrans-68.3-36.5177.6-73.4-178.7-33.600111.8K686 L690 Q704 Y705 C706 T712K686-Q708 HydrophobicContact CG-CG 4.38Å; K686-Q708 PolarHBondContact O-NE2 3.49Å; K686-Q708 VanDerWaalsContact O-NE2 3.11Å; L690-Q708 HydrophobicContact CD2-CG 4.2Å; Q704-Q708 WeakPolarHBondContact O-CG 3.45Å; Q704-Q708 PolarHBondContact O-N 3.33Å; Q704-Q708 VanDerWaalsContact O-N 3.11Å; Y705-Q708 PolarHBondContact O-N 2.89Å; C706-Q708 PolarHBondContact O-N 3.25Å; Q708-T712 PolarHBondContact O-N 2.78Å; Q708-T712 VanDerWaalsContact O-N 3.14Å; Q708-T712 PolarHBondContact O-OG1 2.89Å
709K97.3Very high95.4Very high124 Ų12453.5 Ų53.554%0.53927%0.269SS..Hα-helixtrans-65.5-48.5173-177.7-179178.1-179.90110.8Y705 C706 V707 Y711 T712 K713Y705-K709 HydrophobicContact CE1-CD 4.39Å; Y705-K709 WeakPolarHBondContact O-CB 3.38Å; Y705-K709 PolarHBondContact O-N 2.9Å; C706-K709 WeakPolarHBondContact O-CB 3.37Å; C706-K709 PolarHBondContact O-N 3.35Å; V707-K709 VanDerWaalsContact C-N 3.33Å; K709-Y711 VanDerWaalsContact C-N 3.34Å; K709-Y711 PolarHBondContact O-N 3.29Å; K709-T712 PolarHBondContact O-N 3.08Å; K709-K713 WeakPolarHBondContact O-CB 3.45Å; K709-K713 PolarHBondContact O-N 3.45Å
710D97.8Very high95.9Very high50 Ų5057.3 Ų57.327%0.26728%0.279SS..Hα-helixtrans-63.7-39.1179.5-75.8-15000112.3M516 I554 C706 V707 T712 K713 L714M516-D710 HydrophobicContact CE-CB 3.72Å; I554-D710 HydrophobicContact CG2-CB 4.33Å; C706-D710 WeakPolarHBondContact O-CB 3.37Å; C706-D710 PolarHBondContact O-N 3.27Å; V707-D710 PolarHBondContact O-N 3.21Å; D710-T712 PolarHBondContact O-N 3.17Å; D710-K713 WeakPolarHBondContact O-CB 3.38Å; D710-K713 PolarHBondContact O-N 3.25Å; D710-L714 WeakPolarHBondContact O-CB 3.22Å; D710-L714 PolarHBondContact O-N 2.69Å
711Y98.2Very high96.2Very high0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-63.2-41.9174.8-165.9-106.2000112L547 S550 C551 I554 F682 V685 K686 L690 V707 K709 L714 F715L547-Y711 WeakPolarHBondContact CD2-OH 3.38Å; L547-Y711 PolarHBondContact O-OH 3.04Å; S550-Y711 WeakPolarHBondContact OG-CE2 3.4Å; S550-Y711 PolarHBondContact OG-OH 3.4Å; C551-Y711 HydrophobicContact CB-CD2 4.47Å; C551-Y711 HydrophobicContact CB-CE2 3.76Å; I554-Y711 HydrophobicContact CG1-CD2 4.32Å; F682-Y711 AromaticContact CD2-CE1 3.91Å; F682-Y711 HydrophobicContact CD2-CE1 3.91Å; F682-Y711 AromaticContact CE2-CD1 3.86Å; F682-Y711 HydrophobicContact CE2-CD1 3.86Å; F682-Y711 AromaticContact CE2-CE1 3.47Å; F682-Y711 HydrophobicContact CE2-CE1 3.47Å; F682-Y711 VanDerWaalsContact CE2-CE1 3.47Å; F682-Y711 HydrophobicContact CZ-CD1 4.09Å; F682-Y711 HydrophobicContact CZ-CE1 4.11Å; V685-Y711 HydrophobicContact CG1-CE1 4.18Å; V685-Y711 HydrophobicContact CG1-CE2 4.5Å; V685-Y711 WeakPolarHBondContact CG1-OH 3.5Å; K686-Y711 HydrophobicContact CB-CD1 4.02Å; K686-Y711 HydrophobicContact CB-CE1 4.25Å; K686-Y711 HydrophobicContact CG-CD1 4.27Å; L690-Y711 HydrophobicContact CD2-CG 4.09Å; V707-Y711 VanDerWaalsContact O-CB 3.23Å; V707-Y711 WeakPolarHBondContact O-CB 3.35Å; V707-Y711 PolarHBondContact O-N 3.43Å; K709-Y711 VanDerWaalsContact C-N 3.34Å; K709-Y711 PolarHBondContact O-N 3.29Å; Y711-L714 PolarHBondContact O-N 3.08Å; Y711-F715 HydrophobicContact CD1-CD2 4.47Å; Y711-F715 HydrophobicContact CD2-CE2 4.43Å; Y711-F715 HydrophobicContact CE1-CD2 4.16Å; Y711-F715 AromaticContact CE1-CE2 3.94Å; Y711-F715 HydrophobicContact CE1-CE2 3.94Å; Y711-F715 HydrophobicContact CE2-CD2 4.37Å; Y711-F715 AromaticContact CE2-CE2 3.74Å; Y711-F715 HydrophobicContact CE2-CE2 3.74Å; Y711-F715 AromaticContact CZ-CE2 3.46Å; Y711-F715 VanDerWaalsContact CZ-CE2 3.46Å; Y711-F715 WeakPolarHBondContact O-CD2 3.45Å; Y711-F715 PolarHBondContact O-N 2.93Å; Y711-F715 WeakPolarHBondContact OH-CE2 3.07Å
712T97.9Very high95.5Very high37 Ų3754 Ų5423%0.22726%0.26CS..Hα-helixtrans-65.2-43174.8-51.50000111K686 Q708 K709 D710 L714 F715 N716K686-T712 VanDerWaalsContact CE-OG1 3.27Å; K686-T712 WeakPolarHBondContact CE-OG1 3.43Å; K686-T712 PolarHBondContact NZ-OG1 3.08Å; Q708-T712 PolarHBondContact O-N 2.78Å; Q708-T712 VanDerWaalsContact O-N 3.14Å; Q708-T712 PolarHBondContact O-OG1 2.89Å; K709-T712 PolarHBondContact O-N 3.08Å; D710-T712 PolarHBondContact O-N 3.17Å; T712-L714 VanDerWaalsContact C-N 3.34Å; T712-L714 PolarHBondContact O-N 3.21Å; T712-F715 PolarHBondContact O-N 3.33Å; T712-N716 VanDerWaalsContact O-CG 3.26Å; T712-N716 PolarHBondContact O-N 3.2Å; T712-N716 PolarHBondContact O-OD1 3.19Å
713K98Very high95.7Very high77 Ų7751 Ų5134%0.33525%0.246SC..Hα-helixtrans-60.8-40.8178-178178.8176.3175.80112.4F511 K512 M516 K709 D710 N716 L717F511-K713 HydrophobicContact CE2-CG 4.07Å; F511-K713 HydrophobicContact CZ-CD 4.33Å; F511-K713 HydrophobicContact CZ-CG 4Å; K512-K713 WeakPolarHBondContact O-CE 3.41Å; K512-K713 PolarHBondContact O-NZ 3.28Å; M516-K713 HydrophobicContact SD-CB 4.41Å; M516-K713 HydrophobicContact SD-CD 4.27Å; M516-K713 HydrophobicContact SD-CG 4.15Å; K709-K713 WeakPolarHBondContact O-CB 3.45Å; K709-K713 PolarHBondContact O-N 3.45Å; D710-K713 WeakPolarHBondContact O-CB 3.38Å; D710-K713 PolarHBondContact O-N 3.25Å; K713-N716 PolarHBondContact O-N 2.85Å; K713-L717 PolarHBondContact O-N 2.71Å; K713-L717 VanDerWaalsContact O-N 3.07Å
714L98.4Very high95.8Very high0 Ų053.7 Ų53.70%026%0.259CS..Hα-helixtrans-58.1-49174.7171.164.1000111.3M516 L519 A520 I554 D710 Y711 T712 L717 I718M516-L714 HydrophobicContact CG-CB 4.06Å; M516-L714 HydrophobicContact CG-CD1 3.77Å; M516-L714 HydrophobicContact CG-CG 4.47Å; M516-L714 HydrophobicContact SD-CB 4.04Å; L519-L714 HydrophobicContact CB-CD1 4.48Å; L519-L714 HydrophobicContact CD2-CD1 4.24Å; L519-L714 HydrophobicContact CD2-CD2 3.67Å; L519-L714 HydrophobicContact CG-CD1 4.26Å; L519-L714 HydrophobicContact CG-CD2 4.31Å; A520-L714 HydrophobicContact CB-CD1 3.83Å; I554-L714 HydrophobicContact CG1-CD2 4.4Å; D710-L714 WeakPolarHBondContact O-CB 3.22Å; D710-L714 PolarHBondContact O-N 2.69Å; Y711-L714 PolarHBondContact O-N 3.08Å; T712-L714 VanDerWaalsContact C-N 3.34Å; T712-L714 PolarHBondContact O-N 3.21Å; L714-L717 WeakPolarHBondContact O-CB 3.3Å; L714-L717 PolarHBondContact O-N 3.43Å; L714-I718 HydrophobicContact CD1-CD1 4.15Å; L714-I718 HydrophobicContact CD1-CG1 4.43Å; L714-I718 HydrophobicContact CG-CD1 4.04Å; L714-I718 WeakPolarHBondContact O-CG1 3.31Å; L714-I718 PolarHBondContact O-N 3.36Å
715F98.2Very high95.8Very high2 Ų253.2 Ų53.21%0.00926%0.257CS..Hα-helixtrans-72.1-33.6-178-84.3-89.3000113.2L540 Q541 L547 F682 Y711 T712 L717 I718 D719L540-F715 HydrophobicContact CB-CE1 4.26Å; Q541-F715 HydrophobicContact CB-CD1 4.45Å; Q541-F715 HydrophobicContact CG-CD1 3.51Å; Q541-F715 HydrophobicContact CG-CE1 4Å; Q541-F715 HydrophobicContact CG-CG 4.44Å; L547-F715 HydrophobicContact CD2-CE1 4.13Å; L547-F715 HydrophobicContact CD2-CE2 4.25Å; L547-F715 HydrophobicContact CD2-CZ 3.62Å; F682-F715 HydrophobicContact CD2-CD1 4.46Å; F682-F715 HydrophobicContact CD2-CD2 4.3Å; F682-F715 HydrophobicContact CD2-CG 4.26Å; F682-F715 HydrophobicContact CE2-CB 3.95Å; F682-F715 HydrophobicContact CE2-CD1 4.27Å; F682-F715 AromaticContact CE2-CD2 3.59Å; F682-F715 HydrophobicContact CE2-CD2 3.59Å; F682-F715 HydrophobicContact CE2-CE2 4.14Å; F682-F715 AromaticContact CE2-CG 3.65Å; F682-F715 HydrophobicContact CE2-CG 3.65Å; F682-F715 HydrophobicContact CZ-CB 4.46Å; Y711-F715 HydrophobicContact CD1-CD2 4.47Å; Y711-F715 HydrophobicContact CD2-CE2 4.43Å; Y711-F715 HydrophobicContact CE1-CD2 4.16Å; Y711-F715 AromaticContact CE1-CE2 3.94Å; Y711-F715 HydrophobicContact CE1-CE2 3.94Å; Y711-F715 HydrophobicContact CE2-CD2 4.37Å; Y711-F715 AromaticContact CE2-CE2 3.74Å; Y711-F715 HydrophobicContact CE2-CE2 3.74Å; Y711-F715 AromaticContact CZ-CE2 3.46Å; Y711-F715 VanDerWaalsContact CZ-CE2 3.46Å; Y711-F715 WeakPolarHBondContact O-CD2 3.45Å; Y711-F715 PolarHBondContact O-N 2.93Å; Y711-F715 WeakPolarHBondContact OH-CE2 3.07Å; T712-F715 PolarHBondContact O-N 3.33Å; F715-L717 PolarHBondContact O-N 2.88Å; F715-I718 HydrophobicContact CD1-CD1 4.05Å; F715-I718 HydrophobicContact CE1-CD1 4.1Å; F715-I718 HydrophobicContact CG-CD1 4.34Å; F715-I718 HydrophobicContact CZ-CD1 4.39Å; F715-I718 PolarHBondContact O-N 2.73Å; F715-I718 VanDerWaalsContact O-N 3.17Å; F715-D719 VanDerWaalsContact O-CG 3.27Å; F715-D719 PolarHBondContact O-N 3.32Å
716N97.8Very high95.8Very high102 Ų10247.3 Ų47.355%0.54524%0.237SC..Hα-helixtrans-59.5-37169.1-68.9-7.2000111.9T712 K713 K720T712-N716 VanDerWaalsContact O-CG 3.26Å; T712-N716 PolarHBondContact O-N 3.2Å; T712-N716 PolarHBondContact O-OD1 3.19Å; K713-N716 PolarHBondContact O-N 2.85Å; N716-K720 PolarHBondContact O-N 3.12Å
717L98.1Very high95.9Very high5 Ų547.6 Ų47.63%0.02623%0.234CC..Hα-helixtrans-69.1-44.8173.6177.164000111.2D508 F511 Q517 A520 K713 L714 F715 D719 K720 L721D508-L717 HydrophobicContact CB-CD1 4.24Å; F511-L717 HydrophobicContact CD1-CD2 3.87Å; F511-L717 HydrophobicContact CD2-CB 4.48Å; F511-L717 HydrophobicContact CD2-CD1 4.01Å; F511-L717 HydrophobicContact CD2-CD2 3.99Å; F511-L717 HydrophobicContact CD2-CG 4.38Å; F511-L717 HydrophobicContact CE1-CD2 3.64Å; F511-L717 HydrophobicContact CE2-CB 3.84Å; F511-L717 HydrophobicContact CE2-CD1 4.22Å; F511-L717 HydrophobicContact CE2-CD2 3.77Å; F511-L717 HydrophobicContact CE2-CG 4.14Å; F511-L717 HydrophobicContact CG-CD1 4.44Å; F511-L717 HydrophobicContact CG-CD2 4.03Å; F511-L717 HydrophobicContact CZ-CB 4.11Å; F511-L717 HydrophobicContact CZ-CD2 3.58Å; F511-L717 HydrophobicContact CZ-CG 4.35Å; Q517-L717 HydrophobicContact CB-CD2 4.09Å; Q517-L717 HydrophobicContact CG-CD2 4.44Å; A520-L717 HydrophobicContact CB-CD2 3.72Å; A520-L717 HydrophobicContact CB-CG 4.06Å; K713-L717 PolarHBondContact O-N 2.71Å; K713-L717 VanDerWaalsContact O-N 3.07Å; L714-L717 WeakPolarHBondContact O-CB 3.3Å; L714-L717 PolarHBondContact O-N 3.43Å; F715-L717 PolarHBondContact O-N 2.88Å; L717-D719 VanDerWaalsContact C-N 3.28Å; L717-D719 PolarHBondContact O-N 2.97Å; L717-K720 WeakPolarHBondContact O-CB 3.49Å; L717-K720 PolarHBondContact O-N 3.13Å; L717-L721 HydrophobicContact CD1-CD1 4.27Å; L717-L721 HydrophobicContact CD1-CD2 4.31Å; L717-L721 HydrophobicContact CD1-CG 4.04Å; L717-L721 HydrophobicContact CD2-CD1 4.48Å; L717-L721 HydrophobicContact CG-CD1 4.05Å; L717-L721 HydrophobicContact CG-CG 4.21Å; L717-L721 WeakPolarHBondContact O-CG 3.3Å; L717-L721 PolarHBondContact O-N 3.25Å
718I97.6Very high95.8Very high0 Ų050.7 Ų50.70%025%0.249CC..Hα-helixtrans-55.9-44.4176.8-72.4168.6000111A520 L523 V524 L540 L714 F715 K720 L721 N722A520-I718 HydrophobicContact CB-CG1 3.81Å; L523-I718 HydrophobicContact CB-CD1 4.44Å; L523-I718 HydrophobicContact CD1-CD1 3.88Å; V524-I718 HydrophobicContact CG2-CG1 4.5Å; V524-I718 HydrophobicContact CG2-CG2 4.02Å; L540-I718 HydrophobicContact CB-CG2 4.15Å; L540-I718 HydrophobicContact CD1-CD1 4.49Å; L540-I718 HydrophobicContact CD1-CG2 3.5Å; L540-I718 VanDerWaalsContact CD1-CG2 3.5Å; L540-I718 HydrophobicContact CG-CG2 4.47Å; L714-I718 HydrophobicContact CD1-CD1 4.15Å; L714-I718 HydrophobicContact CD1-CG1 4.43Å; L714-I718 HydrophobicContact CG-CD1 4.04Å; L714-I718 WeakPolarHBondContact O-CG1 3.31Å; L714-I718 PolarHBondContact O-N 3.36Å; F715-I718 HydrophobicContact CD1-CD1 4.05Å; F715-I718 HydrophobicContact CE1-CD1 4.1Å; F715-I718 HydrophobicContact CG-CD1 4.34Å; F715-I718 HydrophobicContact CZ-CD1 4.39Å; F715-I718 PolarHBondContact O-N 2.73Å; F715-I718 VanDerWaalsContact O-N 3.17Å; I718-K720 VanDerWaalsContact C-N 3.26Å; I718-K720 PolarHBondContact O-N 3.25Å; I718-L721 PolarHBondContact O-N 3.1Å; I718-N722 WeakPolarHBondContact O-CB 3.33Å; I718-N722 PolarHBondContact O-N 2.68Å
719D95.2Very high95.7Very high80 Ų8051.5 Ų51.543%0.42825%0.253SS..Hα-helixtrans-65.4-30178.7-65.1-16.8000112.4Q541 F715 L717Q541-D719 PolarHBondContact NE2-OD1 3.09Å; Q541-D719 PolarHBondContact NE2-OD2 3.4Å; F715-D719 VanDerWaalsContact O-CG 3.27Å; F715-D719 PolarHBondContact O-N 3.32Å; L717-D719 VanDerWaalsContact C-N 3.28Å; L717-D719 PolarHBondContact O-N 2.97Å
720K95Very high95.6Very high134 Ų13445.9 Ų45.958%0.58323%0.231SC*.Hα-helixtrans-75.4-31.7174.3179.6-178.5174-178.70112.9D508 N716 L717 I718D508-K720 IonicContact OD2-NZ 3.84Å; D508-K720 PolarHBondContact OD2-NZ 3.29Å; N716-K720 PolarHBondContact O-N 3.12Å; L717-K720 WeakPolarHBondContact O-CB 3.49Å; L717-K720 PolarHBondContact O-N 3.13Å; I718-K720 VanDerWaalsContact C-N 3.26Å; I718-K720 PolarHBondContact O-N 3.25Å
721L92.9Very high95.4Very high9 Ų945.6 Ų45.65%0.04723%0.228CC..Hα-helixtrans-85-28.7-178.3-67.5-177.5000113.5V505 N506 A520 I521 V524 R528 L717 I718V505-L721 HydrophobicContact CG1-CD1 4.45Å; V505-L721 HydrophobicContact CG1-CD2 4.03Å; N506-L721 WeakPolarHBondContact O-CD2 3.45Å; A520-L721 HydrophobicContact CB-CD1 3.92Å; I521-L721 HydrophobicContact CG1-CD1 3.8Å; V524-L721 HydrophobicContact CG2-CB 4.25Å; R528-L721 PolarHBondContact NH2-O 3.12Å; R528-L721 VanDerWaalsContact NH2-O 3.08Å; L717-L721 HydrophobicContact CD1-CD1 4.27Å; L717-L721 HydrophobicContact CD1-CD2 4.31Å; L717-L721 HydrophobicContact CD1-CG 4.04Å; L717-L721 HydrophobicContact CD2-CD1 4.48Å; L717-L721 HydrophobicContact CG-CD1 4.05Å; L717-L721 HydrophobicContact CG-CG 4.21Å; L717-L721 WeakPolarHBondContact O-CG 3.3Å; L717-L721 PolarHBondContact O-N 3.25Å; I718-L721 PolarHBondContact O-N 3.1Å
722N77.5Confident95.1Very high101 Ų10149.7 Ų49.754%0.5425%0.249SC..  trans-67.60177.4-93.5-29000111.7V524 R528 I718V524-N722 WeakPolarHBondContact CG1-OD1 3.27Å; R528-N722 PolarHBondContact NH2-O 3.36Å; I718-N722 WeakPolarHBondContact O-CB 3.33Å; I718-N722 PolarHBondContact O-N 2.68Å

Retrieved 722 of 722 residues in 710.3 ms (Link to these results)

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