A0A3Q0KTF4_SCHMA Loading...

Tyrosine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A3Q0KTF4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 519 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
1M39Very low46.9Very low191 Ų19194.3 Ų94.394%0.94146%0.461SS*.  0-51.10-140.5-172.6-79.700112.3A3 L4 H5M1-A3 PolarHBondContact O-N 2.81Å; M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.45Å; M1-H5 PolarHBondContact O-N 2.97Å
2L39.1Very low47Very low123 Ų12396.9 Ų96.964%0.64447%0.471SS*.Hα-helixtrans-57.5-43.4173.4-89.6151.5000113.7L4 H5 L6L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 2.99Å; L2-H5 PolarHBondContact O-N 3.34Å; L2-H5 VanDerWaalsContact O-N 3.17Å; L2-L6 WeakPolarHBondContact O-CG 3.25Å; L2-L6 PolarHBondContact O-N 3.36Å
3A38.7Very low47.2Very low42 Ų4293.3 Ų93.335%0.34746%0.461SS..Hα-helixtrans-56.4-44.8173.600000112.1M1 H5 L6 V7M1-A3 PolarHBondContact O-N 2.81Å; A3-H5 PolarHBondContact O-N 2.73Å; A3-L6 PolarHBondContact O-N 3.27Å; A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.05Å
4L44.2Very low47.5Very low118 Ų11888.1 Ų88.162%0.61844%0.435SS*.Hα-helixtrans-65.5-35.2176.5-71163.5000113.1M1 L2 V7 S8M1-L4 WeakPolarHBondContact O-CB 3.48Å; M1-L4 PolarHBondContact O-N 3.45Å; L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 2.99Å; L4-V7 WeakPolarHBondContact O-CB 3.44Å; L4-V7 PolarHBondContact O-N 3.15Å; L4-S8 PolarHBondContact O-N 3.14Å
5H46.9Very low47.6Very low137 Ų13792.7 Ų92.763%0.63445%0.445SS*.Hα-helixtrans-71.7-35175.7-110.263.9000112.6M1 L2 A3 V7 S8 R9M1-H5 PolarHBondContact O-N 2.97Å; L2-H5 PolarHBondContact O-N 3.34Å; L2-H5 VanDerWaalsContact O-N 3.17Å; A3-H5 PolarHBondContact O-N 2.73Å; H5-V7 VanDerWaalsContact C-N 3.33Å; H5-S8 PolarHBondContact O-OG 3.27Å; H5-R9 WeakPolarHBondContact O-CB 3.36Å; H5-R9 PolarHBondContact O-N 2.51Å; H5-R9 VanDerWaalsContact O-N 3.13Å
6L49.5Very low47Very low20 Ų2092.1 Ų92.111%0.10545%0.454CS..Hα-helixtrans-65.2-44.2170.8-70.9165.6000109.9L2 A3 S8 R9 W10 S397L2-L6 WeakPolarHBondContact O-CG 3.25Å; L2-L6 PolarHBondContact O-N 3.36Å; A3-L6 PolarHBondContact O-N 3.27Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 3.02Å; L6-R9 PolarHBondContact O-N 3.43Å; L6-R9 VanDerWaalsContact O-N 3.14Å; L6-W10 WeakPolarHBondContact O-CB 3.28Å; L6-W10 PolarHBondContact O-N 3.32Å; L6-S397 VanDerWaalsContact CD1-CB 3.46Å
7V49.3Very low47.3Very low15 Ų1591.1 Ų91.19%0.09145%0.454CS..Hα-helixtrans-54.4-49.5176168.70000111.1A3 L4 H5 R9 W10 E11 Y355A3-V7 WeakPolarHBondContact O-CG2 3.45Å; A3-V7 PolarHBondContact O-N 3.05Å; L4-V7 WeakPolarHBondContact O-CB 3.44Å; L4-V7 PolarHBondContact O-N 3.15Å; H5-V7 VanDerWaalsContact C-N 3.33Å; V7-R9 VanDerWaalsContact C-N 3.34Å; V7-R9 PolarHBondContact O-N 3.07Å; V7-W10 PolarHBondContact O-N 2.99Å; V7-E11 HydrophobicContact CG1-CG 4.13Å; V7-E11 VanDerWaalsContact O-CB 3.22Å; V7-E11 WeakPolarHBondContact O-CB 3.29Å; V7-E11 VanDerWaalsContact O-CG 3.25Å; V7-E11 WeakPolarHBondContact O-CG 3.06Å; V7-E11 PolarHBondContact O-N 2.86Å; V7-Y355 HydrophobicContact CB-CE1 4.37Å; V7-Y355 HydrophobicContact CG1-CE1 4.38Å; V7-Y355 HydrophobicContact CG1-CE2 4.28Å; V7-Y355 WeakPolarHBondContact CG1-OH 3.04Å; V7-Y355 HydrophobicContact CG2-CD1 4.14Å; V7-Y355 HydrophobicContact CG2-CE1 3.13Å; V7-Y355 HydrophobicContact CG2-CE2 4.45Å; V7-Y355 WeakPolarHBondContact CG2-OH 3.48Å
8S52Low47.8Very low50 Ų5098.5 Ų98.535%0.3548%0.476SS..Hα-helixtrans-63.3-41.6179.370.90000112L4 H5 L6 W10 H12L4-S8 PolarHBondContact O-N 3.14Å; H5-S8 PolarHBondContact O-OG 3.27Å; L6-S8 VanDerWaalsContact C-N 3.33Å; L6-S8 PolarHBondContact O-N 3.02Å; S8-W10 VanDerWaalsContact C-N 3.35Å; S8-W10 PolarHBondContact O-N 3.29Å; S8-H12 WeakPolarHBondContact O-CB 3.48Å; S8-H12 PolarHBondContact O-CD2 3.37Å; S8-H12 PolarHBondContact O-N 3.32Å
9R50.4Low48.8Very low196 Ų19694.9 Ų94.974%0.7446%0.457SS*.Hα-helixtrans-66.9-36.7179.8-156.4175.9178.4-170.2-1.2112.2H5 L6 V7 H12 S13H5-R9 WeakPolarHBondContact O-CB 3.36Å; H5-R9 PolarHBondContact O-N 2.51Å; H5-R9 VanDerWaalsContact O-N 3.13Å; L6-R9 PolarHBondContact O-N 3.43Å; L6-R9 VanDerWaalsContact O-N 3.14Å; V7-R9 VanDerWaalsContact C-N 3.34Å; V7-R9 PolarHBondContact O-N 3.07Å; R9-H12 WeakPolarHBondContact O-CB 3.45Å; R9-S13 PolarHBondContact O-N 3.5Å
10W54.2Low50.2Low91 Ų9194.6 Ų94.635%0.34546%0.457SS..Hα-helixtrans-81.6-34.1177.9-74.8107.6000112.9L6 V7 S8 H12 S13 F14 Q358 E398L6-W10 WeakPolarHBondContact O-CB 3.28Å; L6-W10 PolarHBondContact O-N 3.32Å; V7-W10 PolarHBondContact O-N 2.99Å; S8-W10 VanDerWaalsContact C-N 3.35Å; S8-W10 PolarHBondContact O-N 3.29Å; W10-H12 VanDerWaalsContact C-N 3.26Å; W10-H12 PolarHBondContact O-N 3.09Å; W10-S13 CarbonylContact O-C 3.55Å; W10-S13 WeakPolarHBondContact O-CB 3.5Å; W10-S13 PolarHBondContact O-N 2.98Å; W10-S13 VanDerWaalsContact O-N 3.13Å; W10-F14 WeakPolarHBondContact O-CB 3.16Å; W10-F14 PolarHBondContact O-N 3.48Å; W10-Q358 VanDerWaalsContact CB-NE2 3.34Å; W10-E398 HydrophobicContact CZ2-CG 4.5Å
11E52.3Low51.7Low54 Ų5490.5 Ų90.525%0.25244%0.437SS..Hα-helixtrans-60.8-40.5167.5-79-176.2168.200110.1V7 F14 R15V7-E11 HydrophobicContact CG1-CG 4.13Å; V7-E11 VanDerWaalsContact O-CB 3.22Å; V7-E11 WeakPolarHBondContact O-CB 3.29Å; V7-E11 VanDerWaalsContact O-CG 3.25Å; V7-E11 WeakPolarHBondContact O-CG 3.06Å; V7-E11 PolarHBondContact O-N 2.86Å; E11-F14 PolarHBondContact O-N 2.81Å; E11-R15 WeakPolarHBondContact O-CB 3.39Å; E11-R15 VanDerWaalsContact O-CG 3.25Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.1Å
12H48.9Very low53.5Low126 Ų12684.2 Ų84.258%0.58341%0.405SS*.Hα-helixtrans-62.1-44.3169.1-90.1-68.8000112.1S8 R9 W10 F14 R15 S16S8-H12 WeakPolarHBondContact O-CB 3.48Å; S8-H12 PolarHBondContact O-CD2 3.37Å; S8-H12 PolarHBondContact O-N 3.32Å; R9-H12 WeakPolarHBondContact O-CB 3.45Å; W10-H12 VanDerWaalsContact C-N 3.26Å; W10-H12 PolarHBondContact O-N 3.09Å; H12-F14 VanDerWaalsContact C-N 3.3Å; H12-F14 PolarHBondContact O-N 3.49Å; H12-R15 CarbonylContact O-C 3.39Å; H12-R15 PolarHBondContact O-N 3.43Å; H12-S16 VanDerWaalsContact O-CB 3.3Å; H12-S16 WeakPolarHBondContact O-CB 3.18Å; H12-S16 PolarHBondContact O-N 2.97Å
13S48.6Very low55.5Low50 Ų5079.1 Ų79.135%0.3538%0.38SS..Hα-helixtrans-60.8-40.1175.4-167.90000111.7R9 W10 S16 V17R9-S13 PolarHBondContact O-N 3.5Å; W10-S13 CarbonylContact O-C 3.55Å; W10-S13 WeakPolarHBondContact O-CB 3.5Å; W10-S13 PolarHBondContact O-N 2.98Å; W10-S13 VanDerWaalsContact O-N 3.13Å; S13-S16 WeakPolarHBondContact CA-OG 3.35Å; S13-S16 CarbonylContact O-C 3.4Å; S13-S16 WeakPolarHBondContact O-CB 3.28Å; S13-S16 PolarHBondContact O-N 3.29Å; S13-S16 VanDerWaalsContact O-N 3.12Å; S13-S16 PolarHBondContact O-OG 3.5Å; S13-V17 PolarHBondContact O-N 2.9Å
14F51.3Low57.4Low20 Ų2078.5 Ų78.59%0.08837%0.37CS..Hα-helixtrans-68.9-37.9177.6-106-82.5000112.4W10 E11 H12 S16 L357 Q358W10-F14 WeakPolarHBondContact O-CB 3.16Å; W10-F14 PolarHBondContact O-N 3.48Å; E11-F14 PolarHBondContact O-N 2.81Å; H12-F14 VanDerWaalsContact C-N 3.3Å; H12-F14 PolarHBondContact O-N 3.49Å; F14-S16 VanDerWaalsContact C-N 3.25Å; F14-L357 HydrophobicContact CD1-CD2 4.43Å; F14-L357 HydrophobicContact CE1-CD2 3.27Å; F14-L357 HydrophobicContact CE1-CG 4.2Å; F14-L357 HydrophobicContact CE2-CD2 4.38Å; F14-L357 HydrophobicContact CZ-CD2 3.24Å; F14-L357 HydrophobicContact CZ-CG 3.65Å; F14-Q358 HydrophobicContact CD2-CG 4.35Å; F14-Q358 HydrophobicContact CE2-CG 3.79Å
15R49.1Very low59.3Low157 Ų15780.1 Ų80.159%0.59237%0.372SS*.Hα-helixtrans-67.8-27169.5-71.8175.9-177-159.12.5112E11 H12E11-R15 WeakPolarHBondContact O-CB 3.39Å; E11-R15 VanDerWaalsContact O-CG 3.25Å; E11-R15 WeakPolarHBondContact O-CG 3.48Å; E11-R15 PolarHBondContact O-N 3.1Å; H12-R15 CarbonylContact O-C 3.39Å; H12-R15 PolarHBondContact O-N 3.43Å
16S37.8Very low61.4Low84 Ų8476.9 Ų76.959%0.58736%0.356SS*.Hα-helixtrans-82.5-19.8179.681.20000114H12 S13 F14 R18H12-S16 VanDerWaalsContact O-CB 3.3Å; H12-S16 WeakPolarHBondContact O-CB 3.18Å; H12-S16 PolarHBondContact O-N 2.97Å; S13-S16 WeakPolarHBondContact CA-OG 3.35Å; S13-S16 CarbonylContact O-C 3.4Å; S13-S16 WeakPolarHBondContact O-CB 3.28Å; S13-S16 PolarHBondContact O-N 3.29Å; S13-S16 VanDerWaalsContact O-N 3.12Å; S13-S16 PolarHBondContact O-OG 3.5Å; F14-S16 VanDerWaalsContact C-N 3.25Å; S16-R18 PolarHBondContact O-N 2.74Å
17V53.7Low63.6Low74 Ų7475.9 Ų75.945%0.44835%0.351SS..SBendtrans-62.3110.9166.1179.20000105.8S13 R19S13-V17 PolarHBondContact O-N 2.9Å; V17-R19 VanDerWaalsContact C-N 3.28Å; V17-R19 HydrophobicContact CG1-CG 4.33Å; V17-R19 PolarHBondContact O-N 3.05Å
18R55.6Low65.7Low225 Ų22575.7 Ų75.785%0.84935%0.35SS*.  trans-60.795.7175.6-80.8-172.2177-175-0.7108.1S16S16-R18 PolarHBondContact O-N 2.74Å
19R67.6Low67.6Low30 Ų3075.8 Ų75.811%0.11335%0.347CS..  trans-90.8111.6167.6-61.6-167.7171.6123.3-6106.2V17 Y21 E346V17-R19 VanDerWaalsContact C-N 3.28Å; V17-R19 HydrophobicContact CG1-CG 4.33Å; V17-R19 PolarHBondContact O-N 3.05Å; R19-Y21 HydrophobicContact CB-CD1 3.85Å; R19-Y21 HydrophobicContact CB-CD2 4.13Å; R19-Y21 HydrophobicContact CB-CE1 3.84Å; R19-Y21 HydrophobicContact CB-CE2 4.13Å; R19-Y21 HydrophobicContact CB-CG 3.99Å; R19-Y21 WeakPolarHBondContact CD-OH 3.46Å; R19-Y21 HydrophobicContact CG-CE1 4.3Å; R19-Y21 PolarHBondContact NE-OH 3.42Å; R19-Y21 PolarHBondContact O-N 3.32Å; R19-E346 WeakPolarHBondContact CD-OE1 3.2Å; R19-E346 IonicContact CZ-OE1 2.62Å; R19-E346 IonicContact NE-OE1 2.78Å; R19-E346 PolarHBondContact NE-OE1 2.62Å; R19-E346 IonicContact NE-OE2 3.96Å; R19-E346 IonicContact NH2-OE1 2.99Å; R19-E346 PolarHBondContact NH2-OE1 3.44Å
20N75.7Confident69.6Low88 Ų8866.5 Ų66.547%0.47131%0.312SS..  trans-78.460.5173.3-67.4-33000108.9G319 E322N20-G319 PolarHBondContact O-N 3.42Å; N20-E322 HydrophobicContact CB-CB 3.87Å; N20-E322 HydrophobicContact CB-CG 4Å; N20-E322 WeakPolarHBondContact CB-OE2 3.31Å; N20-E322 PolarHBondContact ND2-OE2 2.99Å
21Y81.7Confident71.5Confident9 Ų963.1 Ų63.14%0.03530%0.301CS..BIsolated β-bridgetrans-66.4147.8173.5-69.9-24.8000110.1R19 I142 A145 L146 P147 F317 F318 E346R19-Y21 HydrophobicContact CB-CD1 3.85Å; R19-Y21 HydrophobicContact CB-CD2 4.13Å; R19-Y21 HydrophobicContact CB-CE1 3.84Å; R19-Y21 HydrophobicContact CB-CE2 4.13Å; R19-Y21 HydrophobicContact CB-CG 3.99Å; R19-Y21 WeakPolarHBondContact CD-OH 3.46Å; R19-Y21 HydrophobicContact CG-CE1 4.3Å; R19-Y21 PolarHBondContact NE-OH 3.42Å; R19-Y21 PolarHBondContact O-N 3.32Å; Y21-I142 HydrophobicContact CE2-CD1 4.26Å; Y21-I142 HydrophobicContact CE2-CG2 4.09Å; Y21-I142 WeakPolarHBondContact OH-CD1 3.36Å; Y21-A145 HydrophobicContact CD2-CB 3.61Å; Y21-A145 HydrophobicContact CE2-CB 3.64Å; Y21-L146 VanDerWaalsContact CB-CD2 3.46Å; Y21-L146 HydrophobicContact CD2-CG 3.98Å; Y21-L146 HydrophobicContact CG-CD2 4.32Å; Y21-L146 HydrophobicContact CG-CG 4.28Å; Y21-P147 WeakPolarHBondContact O-CD 3.32Å; Y21-F317 VanDerWaalsContact CA-O 3.29Å; Y21-F317 WeakPolarHBondContact CA-O 3.41Å; Y21-F317 HydrophobicContact CD1-CB 4.07Å; Y21-F317 HydrophobicContact CE1-CB 4.31Å; Y21-F317 HydrophobicContact CG-CB 4.46Å; Y21-F318 AromaticContact CD1-CD1 3.8Å; Y21-F318 HydrophobicContact CD1-CD1 3.8Å; Y21-F318 HydrophobicContact CD1-CE1 4.03Å; Y21-F318 HydrophobicContact CE1-CD1 4Å; Y21-F318 AromaticContact CE1-CE1 3.79Å; Y21-F318 HydrophobicContact CE1-CE1 3.79Å; Y21-E346 WeakPolarHBondContact CE1-OE2 3.14Å; Y21-E346 PolarHBondContact OH-OE2 2.91Å
22H78Confident73.4Confident59 Ų5966.3 Ų66.327%0.27332%0.324SS..  trans-132.3134.1180-169.767.4000110.8Q24 Y30 F317H22-Q24 PolarHBondContact CD2-NE2 3.24Å; H22-Q24 PolarHBondContact NE2-NE2 3.14Å; H22-Q24 PolarHBondContact NE2-OE1 2.91Å; H22-Y30 PolarHBondContact O-OH 3.26Å; H22-F317 PolarHBondContact N-O 2.92Å
23S79.4Confident75.4Confident16 Ų1663 Ų6311%0.11231%0.31CS..  trans-111.4135.2165.153.10000109.1Y30 P147S23-Y30 WeakPolarHBondContact CA-OH 3.4Å; S23-P147 PolarHBondContact OG-O 2.69Å
24Q79.7Confident77.4Confident29 Ų2962.3 Ų62.314%0.13631%0.311CS..  trans-92.4145165.8-63.2-69.4-1.400108.8H22 K26 D29 Y30 N33H22-Q24 PolarHBondContact CD2-NE2 3.24Å; H22-Q24 PolarHBondContact NE2-NE2 3.14Å; H22-Q24 PolarHBondContact NE2-OE1 2.91Å; Q24-K26 WeakPolarHBondContact CB-O 3.18Å; Q24-K26 PolarHBondContact O-N 2.91Å; Q24-D29 HydrophobicContact CB-CB 3.77Å; Q24-D29 HydrophobicContact CG-CB 3.75Å; Q24-Y30 HydrophobicContact CB-CD1 4.37Å; Q24-Y30 HydrophobicContact CB-CD2 3.73Å; Q24-Y30 HydrophobicContact CB-CE1 4.25Å; Q24-Y30 HydrophobicContact CB-CE2 3.59Å; Q24-Y30 HydrophobicContact CB-CG 4.13Å; Q24-Y30 HydrophobicContact CG-CD1 3.89Å; Q24-Y30 HydrophobicContact CG-CD2 4.15Å; Q24-Y30 HydrophobicContact CG-CE1 3.87Å; Q24-Y30 HydrophobicContact CG-CE2 4.14Å; Q24-Y30 HydrophobicContact CG-CG 4.03Å; Q24-Y30 PolarHBondContact N-OH 2.88Å; Q24-N33 PolarHBondContact NE2-ND2 3.19Å; Q24-N33 VanDerWaalsContact NE2-ND2 3.14Å
25K84.3Confident79.4Confident152 Ų15261.5 Ų61.566%0.66131%0.307SS*.SBendtrans-70.2-21.8175.1-71-176.7175.7179.70112S149K25-S149 WeakPolarHBondContact CE-OG 3.16Å
26K91.3Very high81.5Confident69 Ų6954.2 Ų54.230%0.328%0.28SS..SBendtrans-130.3148.8-172.2-67.5178.6-177-177.10111.2Q24 S28 D29 L49 E52Q24-K26 WeakPolarHBondContact CB-O 3.18Å; Q24-K26 PolarHBondContact O-N 2.91Å; K26-S28 VanDerWaalsContact C-N 3.31Å; K26-D29 HydrophobicContact CB-CB 4.45Å; K26-D29 WeakPolarHBondContact CB-OD2 3.33Å; K26-D29 PolarHBondContact O-N 2.87Å; K26-L49 HydrophobicContact CD-CD1 3.81Å; K26-E52 WeakPolarHBondContact CB-OE1 3.12Å; K26-E52 WeakPolarHBondContact CB-OE2 3.29Å; K26-E52 WeakPolarHBondContact CD-OE1 3.33Å; K26-E52 HydrophobicContact CG-CG 4.34Å
27I94.1Very high84.1Confident0 Ų052.8 Ų52.80%027%0.27CS..Hα-helixtrans-70.1-34.8173.8-67.6174.1000109.6D29 Y30 L31 F36 L48 E52 F57 V59 C84 K89 M227 L256I27-D29 VanDerWaalsContact C-N 3.29Å; I27-D29 PolarHBondContact O-N 3.45Å; I27-Y30 WeakPolarHBondContact O-CB 3.35Å; I27-Y30 PolarHBondContact O-N 3.42Å; I27-Y30 VanDerWaalsContact O-N 3.14Å; I27-L31 PolarHBondContact O-N 2.76Å; I27-F36 HydrophobicContact CG2-CE2 4.37Å; I27-L48 HydrophobicContact CG2-CD2 4.03Å; I27-E52 PolarHBondContact N-OE2 2.98Å; I27-F57 HydrophobicContact CD1-CE2 4.26Å; I27-F57 HydrophobicContact CD1-CZ 4.09Å; I27-V59 HydrophobicContact CD1-CG2 4.07Å; I27-C84 HydrophobicContact CD1-CB 3.95Å; I27-C84 HydrophobicContact CG1-CB 4.38Å; I27-K89 HydrophobicContact CD1-CG 3.7Å; I27-K89 HydrophobicContact CG1-CG 4.48Å; I27-M227 HydrophobicContact CD1-SD 4.04Å; I27-M227 HydrophobicContact CG2-CE 4.33Å; I27-M227 HydrophobicContact CG2-SD 4.18Å; I27-L256 HydrophobicContact CG2-CD1 3.49Å; I27-L256 VanDerWaalsContact CG2-CD1 3.49Å
28S93.4Very high86.1Confident10 Ų1051.5 Ų51.57%0.0726%0.259CS..Hα-helixtrans-58.5-39175.360.50000112.9K26 Y30 L31 T32 E52K26-S28 VanDerWaalsContact C-N 3.31Å; S28-Y30 VanDerWaalsContact C-N 3.34Å; S28-Y30 PolarHBondContact O-N 2.87Å; S28-L31 WeakPolarHBondContact O-CB 3.31Å; S28-L31 PolarHBondContact O-N 3.2Å; S28-L31 VanDerWaalsContact O-N 3.16Å; S28-T32 PolarHBondContact O-N 3.39Å; S28-T32 PolarHBondContact O-OG1 3.37Å; S28-E52 WeakPolarHBondContact CB-OE1 3.37Å; S28-E52 PolarHBondContact N-OE2 2.83Å; S28-E52 PolarHBondContact OG-OE1 3.01Å
29D92.3Very high88Confident53 Ų5340.9 Ų40.928%0.28322%0.219SC..Hα-helixtrans-64.4-39.1176.6-62.6-29.2000111.2Q24 K26 I27 L31 T32 N33Q24-D29 HydrophobicContact CB-CB 3.77Å; Q24-D29 HydrophobicContact CG-CB 3.75Å; K26-D29 HydrophobicContact CB-CB 4.45Å; K26-D29 WeakPolarHBondContact CB-OD2 3.33Å; K26-D29 PolarHBondContact O-N 2.87Å; I27-D29 VanDerWaalsContact C-N 3.29Å; I27-D29 PolarHBondContact O-N 3.45Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-T32 PolarHBondContact O-N 3.34Å; D29-N33 WeakPolarHBondContact O-CB 3.47Å; D29-N33 PolarHBondContact O-N 3.22Å; D29-N33 PolarHBondContact O-ND2 3.37Å
30Y93.6Very high89.4Confident0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-63.6-39.2173.3-80.8-62.5000112.3H22 S23 Q24 I27 S28 N33 G34 Y35 F36 R83 S87H22-Y30 PolarHBondContact O-OH 3.26Å; S23-Y30 WeakPolarHBondContact CA-OH 3.4Å; Q24-Y30 HydrophobicContact CB-CD1 4.37Å; Q24-Y30 HydrophobicContact CB-CD2 3.73Å; Q24-Y30 HydrophobicContact CB-CE1 4.25Å; Q24-Y30 HydrophobicContact CB-CE2 3.59Å; Q24-Y30 HydrophobicContact CB-CG 4.13Å; Q24-Y30 HydrophobicContact CG-CD1 3.89Å; Q24-Y30 HydrophobicContact CG-CD2 4.15Å; Q24-Y30 HydrophobicContact CG-CE1 3.87Å; Q24-Y30 HydrophobicContact CG-CE2 4.14Å; Q24-Y30 HydrophobicContact CG-CG 4.03Å; Q24-Y30 PolarHBondContact N-OH 2.88Å; I27-Y30 WeakPolarHBondContact O-CB 3.35Å; I27-Y30 PolarHBondContact O-N 3.42Å; I27-Y30 VanDerWaalsContact O-N 3.14Å; S28-Y30 VanDerWaalsContact C-N 3.34Å; S28-Y30 PolarHBondContact O-N 2.87Å; Y30-N33 PolarHBondContact O-N 3.34Å; Y30-G34 PolarHBondContact O-N 2.84Å; Y30-Y35 HydrophobicContact CD1-CD1 4.3Å; Y30-Y35 AromaticContact CD1-CD2 3.62Å; Y30-Y35 HydrophobicContact CD1-CD2 3.62Å; Y30-Y35 HydrophobicContact CD1-CE2 4.08Å; Y30-Y35 AromaticContact CD1-CG 3.73Å; Y30-Y35 HydrophobicContact CD1-CG 3.73Å; Y30-Y35 HydrophobicContact CE1-CD2 4.41Å; Y30-Y35 HydrophobicContact CE1-CG 4.45Å; Y30-Y35 WeakPolarHBondContact O-CB 3.35Å; Y30-Y35 PolarHBondContact O-N 3.07Å; Y30-F36 HydrophobicContact CG-CE2 4.39Å; Y30-R83 HydrophobicContact CD1-CG 4.43Å; Y30-R83 HydrophobicContact CD2-CB 4.18Å; Y30-R83 HydrophobicContact CE1-CB 4.31Å; Y30-R83 HydrophobicContact CE1-CG 4.05Å; Y30-R83 HydrophobicContact CE2-CB 3.92Å; Y30-R83 HydrophobicContact CE2-CG 4.5Å; Y30-R83 WeakPolarHBondContact CE2-O 3.45Å; Y30-R83 HydrophobicContact CG-CB 4.46Å; Y30-S87 WeakPolarHBondContact CD2-OG 3.45Å; Y30-S87 WeakPolarHBondContact CE2-OG 3.43Å
31L92.9Very high90.3Very high21 Ų2138.8 Ų38.811%0.1121%0.214CC..Hα-helixtrans-64.1-47.8175.7-177.666.4000110.9I27 S28 D29 N33 G34 F36 I39 E45 L256I27-L31 PolarHBondContact O-N 2.76Å; S28-L31 WeakPolarHBondContact O-CB 3.31Å; S28-L31 PolarHBondContact O-N 3.2Å; S28-L31 VanDerWaalsContact O-N 3.16Å; D29-L31 VanDerWaalsContact C-N 3.33Å; L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 3.32Å; L31-G34 PolarHBondContact O-N 3.45Å; L31-F36 HydrophobicContact CD1-CB 3.76Å; L31-I39 HydrophobicContact CD2-CB 3.81Å; L31-I39 HydrophobicContact CD2-CG2 3.92Å; L31-E45 HydrophobicContact CD2-CG 3.92Å; L31-L256 HydrophobicContact CD1-CD2 4.41Å
32T91.9Very high90.8Very high120 Ų12043.5 Ų43.574%0.73624%0.24SC*.Hα-helixtrans-61.5-35.5177.6-60.90000112.6S28 D29 G34S28-T32 PolarHBondContact O-N 3.39Å; S28-T32 PolarHBondContact O-OG1 3.37Å; D29-T32 PolarHBondContact O-N 3.34Å; T32-G34 VanDerWaalsContact C-N 3.28Å; T32-G34 PolarHBondContact O-N 3.45Å
33N90.7Very high91.3Very high57 Ų5749.3 Ų49.331%0.30526%0.264SS..THydrogen-bonded Turntrans-87.113.6179.4-69.3-60.1000114.2Q24 D29 Y30 L31 Y35 R313Q24-N33 PolarHBondContact NE2-ND2 3.19Å; Q24-N33 VanDerWaalsContact NE2-ND2 3.14Å; D29-N33 WeakPolarHBondContact O-CB 3.47Å; D29-N33 PolarHBondContact O-N 3.22Å; D29-N33 PolarHBondContact O-ND2 3.37Å; Y30-N33 PolarHBondContact O-N 3.34Å; L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 3.32Å; N33-Y35 HydrophobicContact CB-CD2 3.75Å; N33-Y35 HydrophobicContact CB-CE2 3.67Å; N33-Y35 PolarHBondContact O-N 2.93Å; N33-R313 WeakPolarHBondContact O-CD 3.34Å; N33-R313 PolarHBondContact O-NH1 2.99Å
34G91.2Very high91.9Very high35 Ų3549.1 Ų49.136%0.36126%0.263SS..THydrogen-bonded Turntrans74.818.6171.100000115.8Y30 L31 T32Y30-G34 PolarHBondContact O-N 2.84Å; L31-G34 PolarHBondContact O-N 3.45Å; T32-G34 VanDerWaalsContact C-N 3.28Å; T32-G34 PolarHBondContact O-N 3.45Å
35Y93.4Very high92.5Very high3 Ų352.2 Ų52.21%0.01228%0.277CS..SBendtrans-79.6-25.3175.1-67.3-91.9000112.6Y30 N33 R83 R313 F318 I323Y30-Y35 HydrophobicContact CD1-CD1 4.3Å; Y30-Y35 AromaticContact CD1-CD2 3.62Å; Y30-Y35 HydrophobicContact CD1-CD2 3.62Å; Y30-Y35 HydrophobicContact CD1-CE2 4.08Å; Y30-Y35 AromaticContact CD1-CG 3.73Å; Y30-Y35 HydrophobicContact CD1-CG 3.73Å; Y30-Y35 HydrophobicContact CE1-CD2 4.41Å; Y30-Y35 HydrophobicContact CE1-CG 4.45Å; Y30-Y35 WeakPolarHBondContact O-CB 3.35Å; Y30-Y35 PolarHBondContact O-N 3.07Å; N33-Y35 HydrophobicContact CB-CD2 3.75Å; N33-Y35 HydrophobicContact CB-CE2 3.67Å; N33-Y35 PolarHBondContact O-N 2.93Å; Y35-R83 VanDerWaalsContact CD1-NH1 3.27Å; Y35-R83 VanDerWaalsContact CE1-NH1 3.35Å; Y35-R313 HydrophobicContact CD1-CB 3.86Å; Y35-R313 HydrophobicContact CD1-CG 4.29Å; Y35-R313 VanDerWaalsContact CD1-O 3.28Å; Y35-R313 WeakPolarHBondContact CD1-O 3.46Å; Y35-R313 HydrophobicContact CE1-CB 4.08Å; Y35-R313 HydrophobicContact CE1-CG 4.12Å; Y35-R313 HydrophobicContact CG-CB 4.45Å; Y35-F318 PolarHBondContact OH-O 2.7Å; Y35-I323 HydrophobicContact CE1-CD1 4.35Å
36F94.4Very high92.8Very high5 Ų553 Ų532%0.02228%0.281CS..SBendtrans-113.1153.8169-61.9-74.3000109.1I27 Y30 L31 R83 V229 L256 V258I27-F36 HydrophobicContact CG2-CE2 4.37Å; Y30-F36 HydrophobicContact CG-CE2 4.39Å; L31-F36 HydrophobicContact CD1-CB 3.76Å; F36-R83 HydrophobicContact CZ-CB 4.37Å; F36-V229 HydrophobicContact CE1-CG1 4.4Å; F36-V229 HydrophobicContact CE1-CG2 4.39Å; F36-L256 HydrophobicContact CD1-CB 4.06Å; F36-L256 HydrophobicContact CD1-CD1 4.12Å; F36-L256 HydrophobicContact CD2-CD1 4.1Å; F36-L256 HydrophobicContact CE1-CB 4.41Å; F36-L256 HydrophobicContact CE1-CD1 4.01Å; F36-L256 HydrophobicContact CE2-CD1 3.99Å; F36-L256 HydrophobicContact CG-CB 4.46Å; F36-L256 HydrophobicContact CG-CD1 4.17Å; F36-L256 HydrophobicContact CZ-CD1 3.95Å; F36-V258 HydrophobicContact CD1-CG1 3.87Å; F36-V258 HydrophobicContact CE1-CG1 4.13Å
37S92.5Very high92.8Very high54 Ų5453.9 Ų53.938%0.37829%0.286SS..SBendtrans-81.1-51.4178.8-50.30000111.4T257 P259S37-T257 PolarHBondContact N-O 2.98Å; S37-P259 WeakPolarHBondContact OG-CA 3.35Å; S37-P259 WeakPolarHBondContact OG-CB 3.37Å; S37-P259 WeakPolarHBondContact OG-CD 3.39Å; S37-P259 WeakPolarHBondContact OG-CG 3.41Å; S37-P259 VanDerWaalsContact OG-N 3.11Å
38E93.7Very high92.7Very high46 Ų4653.9 Ų53.922%0.21529%0.286CS..EExtended strand (participates in β ladder)trans-151.7163-175.292-146.6116.800112L40 H232 I235 L256 T257E38-L40 HydrophobicContact CG-CD2 4.28Å; E38-H232 IonicContact OE1-CD2 3.55Å; E38-I235 WeakPolarHBondContact OE1-CD1 3.19Å; E38-L256 WeakPolarHBondContact O-CA 3.35Å; E38-T257 HydrophobicContact CG-CG2 4.07Å; E38-T257 WeakPolarHBondContact CG-OG1 3.43Å; E38-T257 PolarHBondContact N-OG1 2.97Å; E38-T257 PolarHBondContact O-N 3.24Å; E38-T257 WeakPolarHBondContact OE1-CB 3.42Å; E38-T257 WeakPolarHBondContact OE1-CG2 3Å; E38-T257 PolarHBondContact OE1-OG1 3.32Å
39I96.3Very high92.7Very high3 Ų356.5 Ų56.52%0.01530%0.299CS..EExtended strand (participates in β ladder)trans-109.7138.7170.7-171.6174.3000110.4L31 P41 N42 E45 L48 F254 G255 L256L31-I39 HydrophobicContact CD2-CB 3.81Å; L31-I39 HydrophobicContact CD2-CG2 3.92Å; I39-P41 CarbonylContact O-C 3.54Å; I39-N42 WeakPolarHBondContact O-CA 3.35Å; I39-E45 HydrophobicContact CG2-CG 3.93Å; I39-E45 WeakPolarHBondContact CG2-OE1 3.46Å; I39-L48 HydrophobicContact CD1-CB 3.58Å; I39-L48 HydrophobicContact CD1-CD2 3.54Å; I39-L48 HydrophobicContact CD1-CG 4.12Å; I39-F254 HydrophobicContact CD1-CD1 4.08Å; I39-G255 CarbonylContact C-O 3.48Å; I39-G255 WeakPolarHBondContact CA-O 3.25Å; I39-G255 WeakPolarHBondContact CG1-O 3.43Å; I39-L256 HydrophobicContact CB-CD2 4.08Å; I39-L256 HydrophobicContact CG1-CD2 4.11Å
40L96.5Very high92.6Very high5 Ų558.6 Ų58.63%0.02631%0.31CS..EExtended strand (participates in β ladder)trans-110.3140.6173.7-57.3172.9000109.9E38 N42 I235 I238 L242 F254 G255 T257E38-L40 HydrophobicContact CG-CD2 4.28Å; L40-N42 WeakPolarHBondContact CD2-OD1 3.45Å; L40-I235 HydrophobicContact CD1-CB 4.35Å; L40-I235 HydrophobicContact CD1-CG1 4.28Å; L40-I235 HydrophobicContact CD1-CG2 4.05Å; L40-I235 HydrophobicContact CD2-CG2 4.08Å; L40-I238 HydrophobicContact CD1-CB 3.98Å; L40-I238 HydrophobicContact CD1-CD1 4.34Å; L40-I238 HydrophobicContact CD1-CG2 3.75Å; L40-L242 HydrophobicContact CB-CD1 3.82Å; L40-F254 CarbonylContact O-C 3.5Å; L40-F254 VanDerWaalsContact O-CA 3.24Å; L40-F254 WeakPolarHBondContact O-CA 3.43Å; L40-G255 PolarHBondContact N-O 3.48Å; L40-G255 PolarHBondContact O-N 3.05Å; L40-T257 HydrophobicContact CD1-CG2 4.22Å
41P95.6Very high92.6Very high68 Ų6859.9 Ų59.944%0.44232%0.315SS..SBendcis-61.1152.2-12.4-18.732.8000111.6I39 S44 L242I39-P41 CarbonylContact O-C 3.54Å; P41-S44 WeakPolarHBondContact O-CB 3.33Å; P41-S44 PolarHBondContact O-N 3.22Å; P41-S44 PolarHBondContact O-OG 3.1Å; P41-L242 HydrophobicContact CG-CD1 4.33Å
42N91Very high92.5Very high108 Ų10859.4 Ų59.458%0.57831%0.313SS*.THydrogen-bonded Turntrans-53.8144.2-178.6-66.1-1.5000111.5I39 L40 S44I39-N42 WeakPolarHBondContact O-CA 3.35Å; L40-N42 WeakPolarHBondContact CD2-OD1 3.45Å; N42-S44 VanDerWaalsContact C-N 3.34Å
43K89.3Confident92.4Very high182 Ų18257.5 Ų57.579%0.79130%0.301SS*.THydrogen-bonded Turntrans67.127.4-178.2-51.9179.4179.2178.50114.8E45K43-E45 WeakPolarHBondContact CA-OE2 3.38Å
44S92.7Very high92.3Very high12 Ų1259.8 Ų59.88%0.08432%0.317CS..  trans-94.811.4179.4-63.80000114.4P41 N42 K46 H47 L48P41-S44 WeakPolarHBondContact O-CB 3.33Å; P41-S44 PolarHBondContact O-N 3.22Å; P41-S44 PolarHBondContact O-OG 3.1Å; N42-S44 VanDerWaalsContact C-N 3.34Å; S44-K46 VanDerWaalsContact C-N 3.34Å; S44-K46 PolarHBondContact O-N 3.06Å; S44-H47 WeakPolarHBondContact O-CB 3.24Å; S44-H47 PolarHBondContact O-N 2.8Å; S44-H47 VanDerWaalsContact O-N 3.09Å; S44-L48 PolarHBondContact O-N 2.98Å
45E91.4Very high92.2Very high94 Ų9464.5 Ų64.544%0.43932%0.324SS..Hα-helixtrans-58.3-44.8-174.4-6078.7-174.900111.7L31 I39 K43 H47 L48 L49L31-E45 HydrophobicContact CD2-CG 3.92Å; I39-E45 HydrophobicContact CG2-CG 3.93Å; I39-E45 WeakPolarHBondContact CG2-OE1 3.46Å; K43-E45 WeakPolarHBondContact CA-OE2 3.38Å; E45-H47 PolarHBondContact O-N 2.64Å; E45-L48 PolarHBondContact O-N 3.43Å; E45-L49 PolarHBondContact O-N 3.12Å
46K90.3Very high92.1Very high169 Ų16968.4 Ų68.474%0.73535%0.345SS*.Hα-helixtrans-63.2-42.2176.5-67-173.4179.5-177.90111.8S44 L48 L49 D50S44-K46 VanDerWaalsContact C-N 3.34Å; S44-K46 PolarHBondContact O-N 3.06Å; K46-L48 VanDerWaalsContact C-N 3.34Å; K46-L48 PolarHBondContact O-N 3.31Å; K46-L49 PolarHBondContact O-N 2.75Å; K46-D50 PolarHBondContact O-N 2.85Å
47H91.4Very high92.2Very high86 Ų8668.1 Ų68.140%0.39834%0.344SS..Hα-helixtrans-66.1-37.1177.8-69.2-45.6000112.2S44 E45 F51 R252 F254S44-H47 WeakPolarHBondContact O-CB 3.24Å; S44-H47 PolarHBondContact O-N 2.8Å; S44-H47 VanDerWaalsContact O-N 3.09Å; E45-H47 PolarHBondContact O-N 2.64Å; H47-F51 WeakPolarHBondContact O-CB 3.12Å; H47-F51 PolarHBondContact O-N 2.88Å; H47-R252 PolarHBondContact CE1-NH1 3.16Å; H47-R252 PolarHBondContact NE2-NH1 3.17Å; H47-F254 HydrophobicContact CB-CE1 4.08Å; H47-F254 HydrophobicContact CB-CZ 4.22Å
48L93Very high92.5Very high0 Ų065.8 Ų65.80%033%0.328CS..Hα-helixtrans-64-45.3173.7174.259.6000111.1I27 I39 S44 E45 K46 D50 F51 E52 F57 M227 F254I27-L48 HydrophobicContact CG2-CD2 4.03Å; I39-L48 HydrophobicContact CD1-CB 3.58Å; I39-L48 HydrophobicContact CD1-CD2 3.54Å; I39-L48 HydrophobicContact CD1-CG 4.12Å; S44-L48 PolarHBondContact O-N 2.98Å; E45-L48 PolarHBondContact O-N 3.43Å; K46-L48 VanDerWaalsContact C-N 3.34Å; K46-L48 PolarHBondContact O-N 3.31Å; L48-D50 VanDerWaalsContact C-N 3.34Å; L48-D50 PolarHBondContact O-N 2.84Å; L48-F51 PolarHBondContact O-N 3Å; L48-F51 VanDerWaalsContact O-N 3.1Å; L48-E52 WeakPolarHBondContact O-CB 3.29Å; L48-E52 WeakPolarHBondContact O-CG 3.46Å; L48-E52 PolarHBondContact O-N 3.31Å; L48-F57 HydrophobicContact CD1-CZ 4.39Å; L48-M227 HydrophobicContact CD1-CE 3.38Å; L48-M227 HydrophobicContact CD2-CE 3.96Å; L48-M227 HydrophobicContact CG-CE 4.32Å; L48-F254 HydrophobicContact CB-CE1 4.47Å
49L91.9Very high92.7Very high65 Ų6563.6 Ų63.634%0.3432%0.317SS..Hα-helixtrans-58.6-44.8178.8-18062.2000112K26 E45 K46 F51 E52 T53K26-L49 HydrophobicContact CD-CD1 3.81Å; E45-L49 PolarHBondContact O-N 3.12Å; K46-L49 PolarHBondContact O-N 2.75Å; L49-F51 VanDerWaalsContact C-N 3.33Å; L49-E52 WeakPolarHBondContact CD1-OE1 3.5Å; L49-T53 HydrophobicContact CD1-CG2 4.46Å; L49-T53 WeakPolarHBondContact O-CB 3.34Å; L49-T53 VanDerWaalsContact O-CG2 3.25Å; L49-T53 WeakPolarHBondContact O-CG2 3.49Å; L49-T53 PolarHBondContact O-N 2.84Å; L49-T53 PolarHBondContact O-OG1 3.31Å
50D91.3Very high92.8Very high97 Ų9763.7 Ų63.752%0.51932%0.317SS..Hα-helixtrans-65.4-39175-65.1-21.5000111.4K46 L48 T53 T54K46-D50 PolarHBondContact O-N 2.85Å; L48-D50 VanDerWaalsContact C-N 3.34Å; L48-D50 PolarHBondContact O-N 2.84Å; D50-T53 PolarHBondContact O-OG1 3.35Å; D50-T54 WeakPolarHBondContact O-CB 3.4Å; D50-T54 VanDerWaalsContact O-CG2 3.28Å; D50-T54 WeakPolarHBondContact O-CG2 2.97Å; D50-T54 PolarHBondContact O-N 2.84Å; D50-T54 PolarHBondContact O-OG1 3.45Å
51F92.1Very high92.9Very high27 Ų2763.4 Ų63.412%0.11832%0.316CS..Hα-helixtrans-70.4-43.9-177.3-164.9-97.8000112.5H47 L48 L49 T53 T54 R55 F57 Y226 F254H47-F51 WeakPolarHBondContact O-CB 3.12Å; H47-F51 PolarHBondContact O-N 2.88Å; L48-F51 PolarHBondContact O-N 3Å; L48-F51 VanDerWaalsContact O-N 3.1Å; L49-F51 VanDerWaalsContact C-N 3.33Å; F51-T53 VanDerWaalsContact C-N 3.32Å; F51-T53 PolarHBondContact O-N 3.47Å; F51-T54 PolarHBondContact O-N 3.38Å; F51-T54 PolarHBondContact O-OG1 2.96Å; F51-R55 HydrophobicContact CE1-CB 4.46Å; F51-R55 HydrophobicContact CZ-CB 4.44Å; F51-R55 PolarHBondContact O-N 2.87Å; F51-F57 AromaticContact CD1-CD1 3.67Å; F51-F57 HydrophobicContact CD1-CD1 3.67Å; F51-F57 AromaticContact CD1-CE1 3.6Å; F51-F57 HydrophobicContact CD1-CE1 3.6Å; F51-F57 HydrophobicContact CD1-CG 4.4Å; F51-F57 HydrophobicContact CD1-CZ 4.3Å; F51-F57 HydrophobicContact CE1-CB 4.18Å; F51-F57 AromaticContact CE1-CD1 3.47Å; F51-F57 HydrophobicContact CE1-CD1 3.47Å; F51-F57 VanDerWaalsContact CE1-CD1 3.47Å; F51-F57 AromaticContact CE1-CE1 3.89Å; F51-F57 HydrophobicContact CE1-CE1 3.89Å; F51-F57 AromaticContact CE1-CG 3.84Å; F51-F57 HydrophobicContact CE1-CG 3.84Å; F51-Y226 AromaticContact CE1-CD1 3.79Å; F51-Y226 HydrophobicContact CE1-CD1 3.79Å; F51-Y226 HydrophobicContact CE1-CD2 4.36Å; F51-Y226 HydrophobicContact CE1-CE1 4.47Å; F51-Y226 AromaticContact CE1-CG 3.7Å; F51-Y226 HydrophobicContact CE1-CG 3.7Å; F51-Y226 AromaticContact CE2-CD1 3.98Å; F51-Y226 HydrophobicContact CE2-CD1 3.98Å; F51-Y226 HydrophobicContact CE2-CE1 4.05Å; F51-Y226 AromaticContact CZ-CD1 3.17Å; F51-Y226 HydrophobicContact CZ-CD1 3.17Å; F51-Y226 HydrophobicContact CZ-CD2 4.12Å; F51-Y226 AromaticContact CZ-CE1 3.48Å; F51-Y226 HydrophobicContact CZ-CE1 3.48Å; F51-Y226 VanDerWaalsContact CZ-CE1 3.48Å; F51-Y226 HydrophobicContact CZ-CE2 4.4Å; F51-Y226 AromaticContact CZ-CG 3.51Å; F51-Y226 HydrophobicContact CZ-CG 3.51Å; F51-F254 HydrophobicContact CB-CE2 4.03Å; F51-F254 HydrophobicContact CB-CZ 4.24Å; F51-F254 AromaticContact CD1-CE2 3.87Å; F51-F254 HydrophobicContact CD1-CE2 3.87Å; F51-F254 HydrophobicContact CD2-CE2 4.27Å; F51-F254 HydrophobicContact CE1-CE2 4.45Å; F51-F254 AromaticContact CG-CE2 3.79Å; F51-F254 HydrophobicContact CG-CE2 3.79Å; F51-F254 HydrophobicContact CG-CZ 4.39Å
52E92.4Very high93Very high12 Ų1262.3 Ų62.36%0.05632%0.317CS..Hα-helixtrans-73.7-23-177.876.3-171.9162.900114K26 I27 S28 L48 L49 F57 K89K26-E52 WeakPolarHBondContact CB-OE1 3.12Å; K26-E52 WeakPolarHBondContact CB-OE2 3.29Å; K26-E52 WeakPolarHBondContact CD-OE1 3.33Å; K26-E52 HydrophobicContact CG-CG 4.34Å; I27-E52 PolarHBondContact N-OE2 2.98Å; S28-E52 WeakPolarHBondContact CB-OE1 3.37Å; S28-E52 PolarHBondContact N-OE2 2.83Å; S28-E52 PolarHBondContact OG-OE1 3.01Å; L48-E52 WeakPolarHBondContact O-CB 3.29Å; L48-E52 WeakPolarHBondContact O-CG 3.46Å; L48-E52 PolarHBondContact O-N 3.31Å; L49-E52 WeakPolarHBondContact CD1-OE1 3.5Å; E52-F57 HydrophobicContact CB-CE1 4.02Å; E52-F57 HydrophobicContact CB-CZ 4.45Å; E52-K89 PolarHBondContact O-NZ 3.44Å
53T88.6Confident93.3Very high79 Ų7957.4 Ų57.449%0.48529%0.291SS..Hα-helixtrans-81.5-27.2174.350.90000112.5L49 D50 F51L49-T53 HydrophobicContact CD1-CG2 4.46Å; L49-T53 WeakPolarHBondContact O-CB 3.34Å; L49-T53 VanDerWaalsContact O-CG2 3.25Å; L49-T53 WeakPolarHBondContact O-CG2 3.49Å; L49-T53 PolarHBondContact O-N 2.84Å; L49-T53 PolarHBondContact O-OG1 3.31Å; D50-T53 PolarHBondContact O-OG1 3.35Å; F51-T53 VanDerWaalsContact C-N 3.32Å; F51-T53 PolarHBondContact O-N 3.47Å
54T89Confident93.6Very high106 Ų10650.1 Ų50.165%0.6526%0.26SS*.Hα-helixtrans-100.2-18.8-176.656.50000114.1D50 F51D50-T54 WeakPolarHBondContact O-CB 3.4Å; D50-T54 VanDerWaalsContact O-CG2 3.28Å; D50-T54 WeakPolarHBondContact O-CG2 2.97Å; D50-T54 PolarHBondContact O-N 2.84Å; D50-T54 PolarHBondContact O-OG1 3.45Å; F51-T54 PolarHBondContact O-N 3.38Å; F51-T54 PolarHBondContact O-OG1 2.96Å
55R89.2Confident93.7Very high134 Ų13449.5 Ų49.551%0.50626%0.256SS..  trans-137.1141.7-174.4-63.1-173.6178.8-162.4-1.2113.4F51 K89F51-R55 HydrophobicContact CE1-CB 4.46Å; F51-R55 HydrophobicContact CZ-CB 4.44Å; F51-R55 PolarHBondContact O-N 2.87Å; R55-K89 PolarHBondContact O-NZ 3.26Å
56N91.5Very high93.6Very high84 Ų8447 Ų4745%0.44925%0.247SC..  trans-84.6137.8156.3-16834.6000109.3G88 D90 N224N56-G88 PolarHBondContact OD1-O 3Å; N56-D90 PolarHBondContact ND2-OD2 3.42Å; N56-D90 VanDerWaalsContact ND2-OD2 3.15Å; N56-N224 PolarHBondContact O-ND2 2.83Å
57F96.5Very high93.6Very high0 Ų040.6 Ų40.60%022%0.224CC..  trans-154161-177.162.6-94.3000110.2I27 L48 F51 E52 V59 K89 D90 Y226 M227I27-F57 HydrophobicContact CD1-CE2 4.26Å; I27-F57 HydrophobicContact CD1-CZ 4.09Å; L48-F57 HydrophobicContact CD1-CZ 4.39Å; F51-F57 AromaticContact CD1-CD1 3.67Å; F51-F57 HydrophobicContact CD1-CD1 3.67Å; F51-F57 AromaticContact CD1-CE1 3.6Å; F51-F57 HydrophobicContact CD1-CE1 3.6Å; F51-F57 HydrophobicContact CD1-CG 4.4Å; F51-F57 HydrophobicContact CD1-CZ 4.3Å; F51-F57 HydrophobicContact CE1-CB 4.18Å; F51-F57 AromaticContact CE1-CD1 3.47Å; F51-F57 HydrophobicContact CE1-CD1 3.47Å; F51-F57 VanDerWaalsContact CE1-CD1 3.47Å; F51-F57 AromaticContact CE1-CE1 3.89Å; F51-F57 HydrophobicContact CE1-CE1 3.89Å; F51-F57 AromaticContact CE1-CG 3.84Å; F51-F57 HydrophobicContact CE1-CG 3.84Å; E52-F57 HydrophobicContact CB-CE1 4.02Å; E52-F57 HydrophobicContact CB-CZ 4.45Å; F57-V59 HydrophobicContact CD2-CG2 4.17Å; F57-V59 HydrophobicContact CE2-CG2 3.78Å; F57-K89 HydrophobicContact CD1-CD 4.18Å; F57-K89 HydrophobicContact CE1-CD 4Å; F57-K89 HydrophobicContact CE2-CD 4.47Å; F57-K89 HydrophobicContact CE2-CG 4.39Å; F57-K89 HydrophobicContact CZ-CD 4.15Å; F57-K89 HydrophobicContact CZ-CG 4.33Å; F57-K89 WeakPolarHBondContact O-CB 3.31Å; F57-D90 PolarHBondContact O-N 3.1Å; F57-Y226 HydrophobicContact CB-CD2 3.8Å; F57-Y226 HydrophobicContact CB-CG 4.28Å; F57-M227 HydrophobicContact CE2-CB 4.05Å; F57-M227 HydrophobicContact CE2-SD 4.42Å
58S98.1Very high93.6Very high5 Ų538.8 Ų38.84%0.03522%0.217CC..EExtended strand (participates in β ladder)trans-92.3149.6175.6-54.10000112.2D90 F223 N224 C225 Y226S58-D90 CarbonylContact C-O 3.49Å; S58-D90 WeakPolarHBondContact CA-O 3.47Å; S58-D90 WeakPolarHBondContact OG-CB 3.4Å; S58-F223 VanDerWaalsContact CB-O 3.29Å; S58-F223 WeakPolarHBondContact CB-O 3.42Å; S58-F223 PolarHBondContact OG-O 3.38Å; S58-N224 PolarHBondContact N-O 3.5Å; S58-C225 WeakPolarHBondContact O-CA 3.48Å; S58-C225 PolarHBondContact O-SG 3.13Å; S58-Y226 PolarHBondContact O-N 2.94Å
59V98.6Very high93.6Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-116.7141.1171-172.10000108.8I27 F57 L81 C84 K89 D90 I91 V92 M227 V229I27-V59 HydrophobicContact CD1-CG2 4.07Å; F57-V59 HydrophobicContact CD2-CG2 4.17Å; F57-V59 HydrophobicContact CE2-CG2 3.78Å; V59-L81 HydrophobicContact CB-CD1 4.22Å; V59-L81 HydrophobicContact CG1-CD1 4.05Å; V59-L81 WeakPolarHBondContact O-CD1 3.46Å; V59-C84 HydrophobicContact CB-CB 4.05Å; V59-C84 HydrophobicContact CG1-CB 4.22Å; V59-C84 HydrophobicContact CG2-CB 3.8Å; V59-K89 HydrophobicContact CG2-CB 4.16Å; V59-D90 PolarHBondContact N-O 3.24Å; V59-I91 HydrophobicContact CB-CG2 4.4Å; V59-I91 CarbonylContact O-C 3.57Å; V59-I91 VanDerWaalsContact O-CA 3.23Å; V59-I91 WeakPolarHBondContact O-CA 3.46Å; V59-V92 PolarHBondContact O-N 2.91Å; V59-M227 CarbonylContact C-O 3.59Å; V59-M227 WeakPolarHBondContact CA-O 3.43Å; V59-M227 HydrophobicContact CB-CB 4.35Å; V59-M227 HydrophobicContact CG1-CB 3.96Å; V59-M227 HydrophobicContact CG1-CG 3.89Å; V59-M227 HydrophobicContact CG1-SD 4.18Å; V59-M227 HydrophobicContact CG2-CB 4.02Å; V59-M227 HydrophobicContact CG2-CG 4.45Å; V59-M227 HydrophobicContact CG2-SD 4.16Å; V59-V229 HydrophobicContact CG1-CG2 3.62Å
60Y98.8Very high93.8Very high4 Ų436.1 Ų36.12%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-126.8157.2177.191-80.1000113.9V92 V94 F216 L219 C225 M227 Q228 V229Y60-V92 CarbonylContact C-O 3.27Å; Y60-V92 WeakPolarHBondContact CA-O 3.35Å; Y60-V92 VanDerWaalsContact CB-O 3.24Å; Y60-V92 WeakPolarHBondContact CB-O 3.22Å; Y60-V94 HydrophobicContact CD2-CB 4.45Å; Y60-V94 HydrophobicContact CD2-CG2 3.73Å; Y60-V94 HydrophobicContact CE2-CG2 4.46Å; Y60-V94 HydrophobicContact CG-CG2 4.49Å; Y60-F216 HydrophobicContact CD1-CD2 4.18Å; Y60-F216 HydrophobicContact CD1-CE2 4.27Å; Y60-F216 HydrophobicContact CE1-CB 4.08Å; Y60-F216 HydrophobicContact CE1-CD1 4.01Å; Y60-F216 AromaticContact CE1-CD2 3.47Å; Y60-F216 HydrophobicContact CE1-CD2 3.47Å; Y60-F216 VanDerWaalsContact CE1-CD2 3.47Å; Y60-F216 HydrophobicContact CE1-CE1 4.3Å; Y60-F216 AromaticContact CE1-CE2 3.84Å; Y60-F216 HydrophobicContact CE1-CE2 3.84Å; Y60-F216 AromaticContact CE1-CG 3.59Å; Y60-F216 HydrophobicContact CE1-CG 3.59Å; Y60-F216 HydrophobicContact CE1-CZ 4.24Å; Y60-F216 WeakPolarHBondContact OH-CB 3.44Å; Y60-L219 HydrophobicContact CD1-CD1 3.97Å; Y60-L219 HydrophobicContact CD2-CD1 3.48Å; Y60-L219 VanDerWaalsContact CD2-CD1 3.48Å; Y60-L219 HydrophobicContact CE1-CD1 4.2Å; Y60-L219 HydrophobicContact CE2-CD1 3.75Å; Y60-L219 HydrophobicContact CG-CD1 3.56Å; Y60-C225 VanDerWaalsContact CD1-SG 3.53Å; Y60-M227 WeakPolarHBondContact CD1-O 3Å; Y60-M227 PolarHBondContact N-O 3.39Å; Y60-Q228 HydrophobicContact CD1-CB 3.9Å; Y60-Q228 HydrophobicContact CD1-CG 4Å; Y60-Q228 HydrophobicContact CD2-CG 4.5Å; Y60-Q228 HydrophobicContact CE1-CB 3.42Å; Y60-Q228 VanDerWaalsContact CE1-CB 3.42Å; Y60-Q228 HydrophobicContact CE1-CG 3.44Å; Y60-Q228 VanDerWaalsContact CE1-CG 3.44Å; Y60-Q228 HydrophobicContact CE2-CG 4Å; Y60-Q228 VanDerWaalsContact CZ-CG 3.46Å; Y60-Q228 CarbonylContact O-C 3.54Å; Y60-Q228 WeakPolarHBondContact O-CA 3.08Å; Y60-Q228 PolarHBondContact OH-NE2 3.35Å; Y60-Q228 PolarHBondContact OH-OE1 3.37Å; Y60-V229 PolarHBondContact O-N 2.91Å
61A98.5Very high93.9Very high0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-136.4138.616700000109.5F63 L81 V92 V94 V229A61-F63 HydrophobicContact CB-CE2 3.95Å; A61-F63 HydrophobicContact CB-CZ 3.9Å; A61-F63 WeakPolarHBondContact O-CE2 3.46Å; A61-L81 HydrophobicContact CB-CB 4.46Å; A61-L81 HydrophobicContact CB-CD1 4.41Å; A61-L81 HydrophobicContact CB-CD2 4.21Å; A61-V92 PolarHBondContact N-O 3.48Å; A61-V92 VanDerWaalsContact N-O 3.09Å; A61-V94 PolarHBondContact O-N 3Å; A61-V229 HydrophobicContact CB-CB 4.35Å; A61-V229 WeakPolarHBondContact CB-O 3.45Å
62G97.9Very high94Very high45 Ų4533 Ų3346%0.46419%0.186SC..EExtended strand (participates in β ladder)trans-100.5143.3-179.100000113.4V94G62-V94 CarbonylContact C-O 3.52Å; G62-V94 WeakPolarHBondContact CA-O 3.35Å
63F97.4Very high93.9Very high5 Ų534.3 Ų34.32%0.02220%0.202CC..EExtended strand (participates in β ladder)trans-134.8102.7-179-55.2-82.8000111.1A61 L70 N74 A77 V78 A93 V94 G96 I127 L131A61-F63 HydrophobicContact CB-CE2 3.95Å; A61-F63 HydrophobicContact CB-CZ 3.9Å; A61-F63 WeakPolarHBondContact O-CE2 3.46Å; F63-L70 HydrophobicContact CB-CD2 4.21Å; F63-L70 HydrophobicContact CD1-CD1 4.4Å; F63-L70 HydrophobicContact CD1-CD2 4.25Å; F63-N74 HydrophobicContact CD1-CB 4.33Å; F63-N74 HydrophobicContact CE1-CB 4.42Å; F63-A77 HydrophobicContact CE1-CB 4.14Å; F63-A77 HydrophobicContact CZ-CB 4.38Å; F63-V78 HydrophobicContact CE1-CG2 3.64Å; F63-V78 HydrophobicContact CE2-CG2 4.37Å; F63-V78 HydrophobicContact CZ-CG2 3.45Å; F63-V78 VanDerWaalsContact CZ-CG2 3.45Å; F63-A93 HydrophobicContact CE2-CB 4.12Å; F63-V94 PolarHBondContact N-O 3.5Å; F63-G96 PolarHBondContact O-N 3.48Å; F63-I127 HydrophobicContact CB-CG2 4.39Å; F63-L131 HydrophobicContact CD2-CD1 4.08Å; F63-L131 HydrophobicContact CD2-CD2 4.33Å; F63-L131 HydrophobicContact CE2-CD2 4.17Å
64D95.7Very high94.1Very high28 Ų2833.2 Ų33.215%0.1519%0.194CC..  trans-70.5134.2176.6-86.3-0.1000112T66 T99 G100 R112 Y208D64-T66 HydrophobicContact CB-CG2 4.17Å; D64-T66 PolarHBondContact O-N 3.28Å; D64-T99 WeakPolarHBondContact OD1-CB 3.47Å; D64-T99 PolarHBondContact OD1-OG1 3.38Å; D64-G100 PolarHBondContact OD1-N 2.88Å; D64-R112 IonicContact OD2-NH1 2.96Å; D64-R112 PolarHBondContact OD2-NH1 3.41Å; D64-Y208 VanDerWaalsContact CG-OH 3.26Å; D64-Y208 PolarHBondContact OD1-OH 3.06Å; D64-Y208 VanDerWaalsContact OD1-OH 3.14Å; D64-Y208 WeakPolarHBondContact OD2-CE2 3.39Å; D64-Y208 PolarHBondContact OD2-OH 2.94Å
65P93.8Very high94.5Very high0 Ų028.2 Ų28.20%016%0.163CC..  trans-80.753.1-178.135.5-39000114.6C67 G96 Y120 N123 S124 I127P65-C67 PolarHBondContact O-N 2.97Å; P65-G96 VanDerWaalsContact CD-C 3.5Å; P65-G96 WeakPolarHBondContact CD-O 3.43Å; P65-Y120 HydrophobicContact CG-CD1 4.3Å; P65-N123 HydrophobicContact CB-CB 3.74Å; P65-N123 WeakPolarHBondContact O-CB 3.27Å; P65-N123 PolarHBondContact O-ND2 3.12Å; P65-S124 WeakPolarHBondContact CG-OG 3.41Å; P65-I127 VanDerWaalsContact CA-CD1 3.45Å; P65-I127 HydrophobicContact CB-CD1 3.84Å
66T89.5Confident94.7Very high40 Ų4022 Ų2225%0.24514%0.14CC..SBendtrans-70.4-17.4-178.961.30000114.2D64 Q115D64-T66 HydrophobicContact CB-CG2 4.17Å; D64-T66 PolarHBondContact O-N 3.28Å; T66-Q115 PolarHBondContact O-NE2 3.32Å
67C90.4Very high95Very high36 Ų3618.6 Ų18.624%0.24312%0.123CC..SBendtrans-143.1163.6177.2-65.70000108.6P65 S69 N123 W284P65-C67 PolarHBondContact O-N 2.97Å; C67-S69 PolarHBondContact O-N 3.4Å; C67-S69 VanDerWaalsContact O-N 3.11Å; C67-N123 VanDerWaalsContact C-CG 3.4Å; C67-W284 HydrophobicContact CB-CH2 4.02Å; C67-W284 HydrophobicContact CB-CZ3 3.74Å
68D91.2Very high95Very high48 Ų4818.9 Ų18.926%0.25713%0.125SC..SBendtrans-66.1-2.6173.260.6-31.5000113.8N123 L126 M286 K289D68-N123 WeakPolarHBondContact CA-OD1 3.34Å; D68-N123 PolarHBondContact N-OD1 3.32Å; D68-L126 HydrophobicContact CB-CD1 3.73Å; D68-M286 WeakPolarHBondContact O-CE 3.41Å; D68-M286 VanDerWaalsContact O-SD 3.39Å; D68-K289 WeakPolarHBondContact OD1-CD 3.44Å; D68-K289 WeakPolarHBondContact OD1-CE 3.27Å; D68-K289 IonicContact OD1-NZ 3.24Å; D68-K289 PolarHBondContact OD1-NZ 3.34Å; D68-K289 WeakPolarHBondContact OD2-CD 3.48Å; D68-K289 IonicContact OD2-NZ 3.44Å
69S94.1Very high95Very high4 Ų418.7 Ų18.73%0.02812%0.124CC..SBendtrans-150.2144.5176.4176.80000111.3C67 W284 L285 M286C67-S69 PolarHBondContact O-N 3.4Å; C67-S69 VanDerWaalsContact O-N 3.11Å; S69-W284 WeakPolarHBondContact O-CZ3 3.49Å; S69-L285 PolarHBondContact OG-N 3.41Å; S69-M286 PolarHBondContact OG-N 3.37Å
70L94.7Very high94.9Very high4 Ų418.8 Ų18.82%0.02113%0.125CC..  trans-65.4161.6161.6-64.7-178.4000111F63 N74 I127 L131 L285F63-L70 HydrophobicContact CB-CD2 4.21Å; F63-L70 HydrophobicContact CD1-CD1 4.4Å; F63-L70 HydrophobicContact CD1-CD2 4.25Å; L70-N74 HydrophobicContact CB-CB 4.18Å; L70-N74 HydrophobicContact CD2-CB 4.06Å; L70-N74 HydrophobicContact CG-CB 4.48Å; L70-I127 HydrophobicContact CD1-CG2 4.22Å; L70-I127 HydrophobicContact CD2-CD1 3.97Å; L70-I127 HydrophobicContact CD2-CG1 4.21Å; L70-I127 HydrophobicContact CD2-CG2 4.06Å; L70-I127 HydrophobicContact CG-CG1 4.23Å; L70-I127 HydrophobicContact CG-CG2 4.1Å; L70-L131 HydrophobicContact CD1-CD2 3.97Å; L70-L131 HydrophobicContact CD1-CG 4.27Å; L70-L285 HydrophobicContact CB-CB 4.48Å; L70-L285 HydrophobicContact CB-CD1 3.76Å; L70-L285 HydrophobicContact CB-CG 4.09Å; L70-L285 PolarHBondContact O-N 3.2Å
71Q93.7Very high94.8Very high50 Ų5018.9 Ų18.923%0.23413%0.125CC..BIsolated β-bridgetrans-118.6167.3178.6-57.9174.20.300110.8G73 N74 L75 T282 I283 W284Q71-G73 PolarHBondContact O-N 2.9Å; Q71-G73 VanDerWaalsContact O-N 3.12Å; Q71-N74 PolarHBondContact N-OD1 3.05Å; Q71-N74 WeakPolarHBondContact O-CB 3.43Å; Q71-N74 PolarHBondContact O-N 3.11Å; Q71-L75 PolarHBondContact O-N 3.31Å; Q71-T282 HydrophobicContact CB-CG2 4.22Å; Q71-T282 HydrophobicContact CG-CG2 3.57Å; Q71-I283 CarbonylContact C-O 3.55Å; Q71-I283 VanDerWaalsContact CA-O 3.31Å; Q71-I283 WeakPolarHBondContact CA-O 3.47Å; Q71-W284 HydrophobicContact CG-CD2 4.26Å; Q71-W284 HydrophobicContact CG-CE3 3.55Å; Q71-W284 HydrophobicContact CG-CH2 4.27Å; Q71-W284 HydrophobicContact CG-CZ3 3.56Å
72L93.7Very high94.7Very high10 Ų1019 Ų195%0.05213%0.126CC..Hα-helixtrans-53.1-33.7176.5-177.363.6000113N74 L75 L261 I283 L315 L347L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.41Å; L72-L75 HydrophobicContact CD1-CB 4.44Å; L72-L75 HydrophobicContact CD1-CD2 3.99Å; L72-L75 VanDerWaalsContact O-CB 3.3Å; L72-L75 WeakPolarHBondContact O-CB 3.31Å; L72-L75 PolarHBondContact O-N 3.47Å; L72-L75 VanDerWaalsContact O-N 3.16Å; L72-L261 HydrophobicContact CD2-CD1 4.27Å; L72-L261 HydrophobicContact CG-CD1 3.84Å; L72-I283 HydrophobicContact CB-CB 3.96Å; L72-I283 HydrophobicContact CB-CG2 4.16Å; L72-I283 HydrophobicContact CD2-CB 4.46Å; L72-I283 HydrophobicContact CD2-CD1 3.77Å; L72-I283 PolarHBondContact N-O 2.89Å; L72-L315 HydrophobicContact CD1-CD1 4.38Å; L72-L315 HydrophobicContact CD1-CD2 4.07Å; L72-L347 HydrophobicContact CD1-CD1 3.83Å
73G91.1Very high94.6Very high38 Ų3817 Ų1739%0.39210%0.104SC..Hα-helixtrans-60.3-38.2174.200000113.7Q71 L75Q71-G73 PolarHBondContact O-N 2.9Å; Q71-G73 VanDerWaalsContact O-N 3.12Å; G73-L75 VanDerWaalsContact C-N 3.31Å
74N93.8Very high94.5Very high57 Ų5716.7 Ų16.731%0.30510%0.103SC..Hα-helixtrans-70.9-30.4176.3-54.2106.9000111.8F63 L70 Q71 L72 V76 A77 V78F63-N74 HydrophobicContact CD1-CB 4.33Å; F63-N74 HydrophobicContact CE1-CB 4.42Å; L70-N74 HydrophobicContact CB-CB 4.18Å; L70-N74 HydrophobicContact CD2-CB 4.06Å; L70-N74 HydrophobicContact CG-CB 4.48Å; Q71-N74 PolarHBondContact N-OD1 3.05Å; Q71-N74 WeakPolarHBondContact O-CB 3.43Å; Q71-N74 PolarHBondContact O-N 3.11Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.41Å; N74-V76 PolarHBondContact O-N 3.12Å; N74-A77 PolarHBondContact O-N 3.4Å; N74-V78 PolarHBondContact O-N 3.39Å
75L95.7Very high94.5Very high0 Ų015.4 Ų15.40%010%0.096CC..Hα-helixtrans-61-27-179.5-167.759.4000112.1Q71 L72 G73 V78 C79 I134 L285 L347 L350 V351Q71-L75 PolarHBondContact O-N 3.31Å; L72-L75 HydrophobicContact CD1-CB 4.44Å; L72-L75 HydrophobicContact CD1-CD2 3.99Å; L72-L75 VanDerWaalsContact O-CB 3.3Å; L72-L75 WeakPolarHBondContact O-CB 3.31Å; L72-L75 PolarHBondContact O-N 3.47Å; L72-L75 VanDerWaalsContact O-N 3.16Å; G73-L75 VanDerWaalsContact C-N 3.31Å; L75-V78 HydrophobicContact CD1-CB 4.22Å; L75-V78 HydrophobicContact CD1-CG1 4.38Å; L75-V78 PolarHBondContact O-N 3.04Å; L75-C79 WeakPolarHBondContact O-CB 3.24Å; L75-C79 PolarHBondContact O-N 3.42Å; L75-C79 PolarHBondContact O-SG 3.27Å; L75-I134 HydrophobicContact CD1-CD1 4.14Å; L75-L285 HydrophobicContact CB-CD1 4.28Å; L75-L285 HydrophobicContact CD1-CD1 4.18Å; L75-L285 HydrophobicContact CD2-CD2 4.31Å; L75-L347 HydrophobicContact CD2-CD2 3.73Å; L75-L350 HydrophobicContact CD1-CD2 4.13Å; L75-V351 HydrophobicContact CD1-CG2 4.08Å; L75-V351 HydrophobicContact CD2-CG2 3.65Å
76V95Very high94.6Very high3 Ų315.8 Ų15.82%0.01810%0.098CC..Hα-helixtrans-60-46.3173.2-179.60000111.7N74 V78 C79 G80 V258 L261 Q314 L315N74-V76 PolarHBondContact O-N 3.12Å; V76-V78 VanDerWaalsContact C-N 3.34Å; V76-C79 PolarHBondContact O-N 2.97Å; V76-G80 PolarHBondContact O-N 2.78Å; V76-V258 HydrophobicContact CB-CG2 4.35Å; V76-V258 HydrophobicContact CG1-CB 3.56Å; V76-V258 HydrophobicContact CG1-CG1 4.21Å; V76-V258 HydrophobicContact CG1-CG2 3.57Å; V76-L261 HydrophobicContact CG2-CD1 3.7Å; V76-L261 HydrophobicContact CG2-CD2 3.81Å; V76-L261 HydrophobicContact CG2-CG 3.55Å; V76-Q314 HydrophobicContact CG1-CB 4.08Å; V76-Q314 HydrophobicContact CG1-CG 4.23Å; V76-L315 HydrophobicContact CG2-CD2 3.77Å; V76-L315 HydrophobicContact CG2-CG 4.33Å
77A96.3Very high94.7Very high13 Ų1314.4 Ų14.411%0.1079%0.09CC..Hα-helixtrans-68-37178.300000111.3F63 N74 G80 L81 V258F63-A77 HydrophobicContact CE1-CB 4.14Å; F63-A77 HydrophobicContact CZ-CB 4.38Å; N74-A77 PolarHBondContact O-N 3.4Å; A77-G80 PolarHBondContact O-N 3.14Å; A77-L81 WeakPolarHBondContact O-CB 3.34Å; A77-L81 PolarHBondContact O-N 2.98Å; A77-V258 HydrophobicContact CB-CG2 4.33Å
78V97.5Very high94.8Very high7 Ų713.7 Ų13.74%0.0429%0.089CC..Hα-helixtrans-61.2-48.4172.7178.90000110.8F63 N74 L75 V76 G80 L81 L82 L131 I134F63-V78 HydrophobicContact CE1-CG2 3.64Å; F63-V78 HydrophobicContact CE2-CG2 4.37Å; F63-V78 HydrophobicContact CZ-CG2 3.45Å; F63-V78 VanDerWaalsContact CZ-CG2 3.45Å; N74-V78 PolarHBondContact O-N 3.39Å; L75-V78 HydrophobicContact CD1-CB 4.22Å; L75-V78 HydrophobicContact CD1-CG1 4.38Å; L75-V78 PolarHBondContact O-N 3.04Å; V76-V78 VanDerWaalsContact C-N 3.34Å; V78-G80 VanDerWaalsContact C-N 3.31Å; V78-G80 PolarHBondContact O-N 3.35Å; V78-L81 WeakPolarHBondContact O-CB 3.48Å; V78-L81 PolarHBondContact O-N 3.16Å; V78-L82 HydrophobicContact CG1-CD1 4.14Å; V78-L82 HydrophobicContact CG1-CG 4.41Å; V78-L82 WeakPolarHBondContact O-CG 3.33Å; V78-L82 PolarHBondContact O-N 3.4Å; V78-L131 HydrophobicContact CG2-CD2 3.98Å; V78-I134 HydrophobicContact CG1-CG2 3.89Å
79C96.9Very high95Very high0 Ų012 Ų120%08%0.079CC..Hα-helixtrans-60.9-40176.2-71.50000111.9L75 V76 L82 R83 Q314L75-C79 WeakPolarHBondContact O-CB 3.24Å; L75-C79 PolarHBondContact O-N 3.42Å; L75-C79 PolarHBondContact O-SG 3.27Å; V76-C79 PolarHBondContact O-N 2.97Å; C79-L82 PolarHBondContact O-N 2.82Å; C79-R83 WeakPolarHBondContact O-CG 3.44Å; C79-R83 PolarHBondContact O-N 2.89Å; C79-Q314 VanDerWaalsContact CB-O 3.29Å; C79-Q314 WeakPolarHBondContact CB-O 3.49Å
80G96.5Very high95.2Very high2 Ų213.4 Ų13.42%0.0219%0.086CC..Hα-helixtrans-59.5-46.4173.100000112.3V76 A77 V78 L82 R83 C84V76-G80 PolarHBondContact O-N 2.78Å; A77-G80 PolarHBondContact O-N 3.14Å; V78-G80 VanDerWaalsContact C-N 3.31Å; V78-G80 PolarHBondContact O-N 3.35Å; G80-L82 PolarHBondContact O-N 2.96Å; G80-R83 PolarHBondContact O-N 3.39Å; G80-C84 PolarHBondContact O-N 3.18Å; G80-C84 PolarHBondContact O-SG 3.47Å
81L97.5Very high95.4Very high6 Ų613.3 Ų13.33%0.0319%0.086CC..Hα-helixtrans-60.3-46.1175.3-170.566.6000111.5V59 A61 A77 V78 R83 C84 H85 I91 A93V59-L81 HydrophobicContact CB-CD1 4.22Å; V59-L81 HydrophobicContact CG1-CD1 4.05Å; V59-L81 WeakPolarHBondContact O-CD1 3.46Å; A61-L81 HydrophobicContact CB-CB 4.46Å; A61-L81 HydrophobicContact CB-CD1 4.41Å; A61-L81 HydrophobicContact CB-CD2 4.21Å; A77-L81 WeakPolarHBondContact O-CB 3.34Å; A77-L81 PolarHBondContact O-N 2.98Å; V78-L81 WeakPolarHBondContact O-CB 3.48Å; V78-L81 PolarHBondContact O-N 3.16Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 3.44Å; L81-C84 WeakPolarHBondContact O-CB 3.22Å; L81-C84 PolarHBondContact O-N 3.16Å; L81-C84 VanDerWaalsContact O-N 3.1Å; L81-H85 PolarHBondContact O-N 3.02Å; L81-H85 VanDerWaalsContact O-N 3.12Å; L81-I91 HydrophobicContact CD1-CB 3.77Å; L81-I91 HydrophobicContact CD1-CG2 3.86Å; L81-I91 HydrophobicContact CD2-CB 4.3Å; L81-I91 HydrophobicContact CD2-CD1 4.21Å; L81-I91 HydrophobicContact CG-CB 3.8Å; L81-I91 HydrophobicContact CG-CD1 3.9Å; L81-I91 HydrophobicContact CG-CG1 4.42Å; L81-I91 HydrophobicContact CG-CG2 4.07Å; L81-I91 WeakPolarHBondContact O-CG2 3.23Å; L81-A93 HydrophobicContact CD2-CB 4.05Å
82L97Very high95.6Very high3 Ų311 Ų112%0.0168%0.075CC..Hα-helixtrans-63.1-31.1177.7-66.8175.9000113.1V78 C79 G80 H85 L86 I91 I134 Y138 F317 L350V78-L82 HydrophobicContact CG1-CD1 4.14Å; V78-L82 HydrophobicContact CG1-CG 4.41Å; V78-L82 WeakPolarHBondContact O-CG 3.33Å; V78-L82 PolarHBondContact O-N 3.4Å; C79-L82 PolarHBondContact O-N 2.82Å; G80-L82 PolarHBondContact O-N 2.96Å; L82-H85 WeakPolarHBondContact O-CB 3.41Å; L82-H85 PolarHBondContact O-N 3Å; L82-L86 WeakPolarHBondContact O-CG 3.09Å; L82-L86 PolarHBondContact O-N 3.45Å; L82-I91 HydrophobicContact CD2-CD1 3.96Å; L82-I134 HydrophobicContact CD1-CG2 4.44Å; L82-Y138 HydrophobicContact CB-CD2 4.48Å; L82-Y138 HydrophobicContact CB-CE2 4.2Å; L82-Y138 HydrophobicContact CD1-CD2 3.92Å; L82-Y138 HydrophobicContact CD1-CE2 4.46Å; L82-Y138 HydrophobicContact CD1-CG 4.07Å; L82-Y138 HydrophobicContact CD2-CD1 3.78Å; L82-Y138 HydrophobicContact CD2-CD2 4.21Å; L82-Y138 HydrophobicContact CD2-CE1 3.92Å; L82-Y138 HydrophobicContact CD2-CE2 4.34Å; L82-Y138 HydrophobicContact CD2-CG 3.92Å; L82-Y138 HydrophobicContact CG-CD2 4.43Å; L82-F317 HydrophobicContact CB-CE1 4.01Å; L82-F317 HydrophobicContact CB-CZ 3.76Å; L82-F317 HydrophobicContact CD1-CZ 3.94Å; L82-L350 HydrophobicContact CD1-CD1 4.17Å
83R95.2Very high95.8Very high2 Ų210.7 Ų10.71%0.0087%0.074CC..Hα-helixtrans-67-38.3171.9-72177.4-149.3-70.9-16.1112.6Y30 Y35 F36 C79 G80 L81 H85 L86 S87 R313 Q314 T316 F317Y30-R83 HydrophobicContact CD1-CG 4.43Å; Y30-R83 HydrophobicContact CD2-CB 4.18Å; Y30-R83 HydrophobicContact CE1-CB 4.31Å; Y30-R83 HydrophobicContact CE1-CG 4.05Å; Y30-R83 HydrophobicContact CE2-CB 3.92Å; Y30-R83 HydrophobicContact CE2-CG 4.5Å; Y30-R83 WeakPolarHBondContact CE2-O 3.45Å; Y30-R83 HydrophobicContact CG-CB 4.46Å; Y35-R83 VanDerWaalsContact CD1-NH1 3.27Å; Y35-R83 VanDerWaalsContact CE1-NH1 3.35Å; F36-R83 HydrophobicContact CZ-CB 4.37Å; C79-R83 WeakPolarHBondContact O-CG 3.44Å; C79-R83 PolarHBondContact O-N 2.89Å; G80-R83 PolarHBondContact O-N 3.39Å; L81-R83 VanDerWaalsContact C-N 3.3Å; L81-R83 PolarHBondContact O-N 3.44Å; R83-H85 VanDerWaalsContact C-N 3.25Å; R83-H85 PolarHBondContact O-N 3.36Å; R83-L86 WeakPolarHBondContact O-CB 3.17Å; R83-L86 PolarHBondContact O-N 3.14Å; R83-L86 VanDerWaalsContact O-N 3.17Å; R83-S87 PolarHBondContact O-N 3.14Å; R83-S87 PolarHBondContact O-OG 3.04Å; R83-S87 VanDerWaalsContact O-OG 3.05Å; R83-R313 PolarHBondContact NH2-O 3.24Å; R83-Q314 PolarHBondContact NH2-O 2.87Å; R83-T316 VanDerWaalsContact CZ-O 3.23Å; R83-T316 PolarHBondContact NH1-O 3.03Å; R83-T316 PolarHBondContact NH2-O 3.01Å; R83-F317 HydrophobicContact CG-CD1 4.36Å; R83-F317 HydrophobicContact CG-CE1 4.08Å
84C95.7Very high96.2Very high0 Ų09 Ų90%06%0.056CC..Hα-helixtrans-61.3-39.4173.1-63.90000110.9I27 V59 G80 L81 S87 K89 I91I27-C84 HydrophobicContact CD1-CB 3.95Å; I27-C84 HydrophobicContact CG1-CB 4.38Å; V59-C84 HydrophobicContact CB-CB 4.05Å; V59-C84 HydrophobicContact CG1-CB 4.22Å; V59-C84 HydrophobicContact CG2-CB 3.8Å; G80-C84 PolarHBondContact O-N 3.18Å; G80-C84 PolarHBondContact O-SG 3.47Å; L81-C84 WeakPolarHBondContact O-CB 3.22Å; L81-C84 PolarHBondContact O-N 3.16Å; L81-C84 VanDerWaalsContact O-N 3.1Å; C84-S87 WeakPolarHBondContact O-CA 3.17Å; C84-S87 WeakPolarHBondContact O-CB 3.42Å; C84-S87 PolarHBondContact O-N 3.41Å; C84-S87 VanDerWaalsContact O-N 3.1Å; C84-K89 WeakPolarHBondContact O-CB 3.43Å; C84-K89 PolarHBondContact O-N 2.83Å; C84-I91 HydrophobicContact CB-CG2 4.23Å
85H96.1Very high96.4Very high0 Ų06.3 Ų6.30%04%0.042CC..Hα-helixtrans-62.7-41.3172.4175.4-100.3000113L81 L82 R83 S87 G88 K89 I91 Y138 W139 L152 G153L81-H85 PolarHBondContact O-N 3.02Å; L81-H85 VanDerWaalsContact O-N 3.12Å; L82-H85 WeakPolarHBondContact O-CB 3.41Å; L82-H85 PolarHBondContact O-N 3Å; R83-H85 VanDerWaalsContact C-N 3.25Å; R83-H85 PolarHBondContact O-N 3.36Å; H85-S87 PolarHBondContact O-N 2.8Å; H85-G88 WeakPolarHBondContact O-CA 3.42Å; H85-G88 PolarHBondContact O-N 2.94Å; H85-K89 WeakPolarHBondContact CA-O 3.24Å; H85-I91 HydrophobicContact CB-CB 4.48Å; H85-I91 HydrophobicContact CB-CD1 3.73Å; H85-I91 HydrophobicContact CB-CG1 3.93Å; H85-I91 HydrophobicContact CB-CG2 3.74Å; H85-Y138 AromaticContact CE1-CE1 3.78Å; H85-Y138 AromaticContact ND1-CE1 3.48Å; H85-Y138 WeakPolarHBondContact ND1-CE1 3.16Å; H85-Y138 AromaticContact ND1-CZ 3.58Å; H85-Y138 PolarHBondContact ND1-OH 3.42Å; H85-W139 AromaticContact CE1-CH2 3.34Å; H85-W139 WeakPolarHBondContact CE1-CH2 3.31Å; H85-W139 AromaticContact CE1-CZ2 3.24Å; H85-W139 WeakPolarHBondContact CE1-CZ2 3.48Å; H85-W139 AromaticContact NE2-CH2 3.57Å; H85-W139 AromaticContact NE2-CZ2 3.31Å; H85-W139 VanDerWaalsContact NE2-CZ2 3.31Å; H85-W139 WeakPolarHBondContact NE2-CZ2 3.4Å; H85-L152 WeakPolarHBondContact O-CD2 3.33Å; H85-G153 PolarHBondContact NE2-O 3Å
86L94.2Very high96.5Very high9 Ų96.3 Ų6.35%0.0474%0.042CC..Hα-helixtrans-62.5-22.5172.9-68.4177.3000113.8L82 R83 G88 Y138 L146 I148 L152 F317L82-L86 WeakPolarHBondContact O-CG 3.09Å; L82-L86 PolarHBondContact O-N 3.45Å; R83-L86 WeakPolarHBondContact O-CB 3.17Å; R83-L86 PolarHBondContact O-N 3.14Å; R83-L86 VanDerWaalsContact O-N 3.17Å; L86-G88 PolarHBondContact O-N 3.39Å; L86-Y138 HydrophobicContact CD2-CE2 4.32Å; L86-Y138 WeakPolarHBondContact CD2-OH 3.38Å; L86-Y138 HydrophobicContact CG-CE2 4.47Å; L86-Y138 VanDerWaalsContact CG-OH 3.28Å; L86-Y138 WeakPolarHBondContact CG-OH 3.38Å; L86-L146 HydrophobicContact CD1-CD1 3.64Å; L86-L146 HydrophobicContact CD1-CD2 4.31Å; L86-L146 HydrophobicContact CD2-CD1 3.56Å; L86-L146 HydrophobicContact CG-CD1 4.25Å; L86-I148 HydrophobicContact CD2-CD1 4.14Å; L86-L152 HydrophobicContact CD2-CD2 4.18Å; L86-F317 HydrophobicContact CD1-CD1 3.63Å; L86-F317 HydrophobicContact CD1-CE1 3.89Å
87S92.6Very high96.5Very high10 Ų106.6 Ų6.67%0.075%0.045CC..THydrogen-bonded Turntrans-8210.9171.6-480000112.9Y30 R83 C84 H85 K89Y30-S87 WeakPolarHBondContact CD2-OG 3.45Å; Y30-S87 WeakPolarHBondContact CE2-OG 3.43Å; R83-S87 PolarHBondContact O-N 3.14Å; R83-S87 PolarHBondContact O-OG 3.04Å; R83-S87 VanDerWaalsContact O-OG 3.05Å; C84-S87 WeakPolarHBondContact O-CA 3.17Å; C84-S87 WeakPolarHBondContact O-CB 3.42Å; C84-S87 PolarHBondContact O-N 3.41Å; C84-S87 VanDerWaalsContact O-N 3.1Å; H85-S87 PolarHBondContact O-N 2.8Å; S87-K89 PolarHBondContact O-N 2.83Å
88G93.1Very high96.4Very high21 Ų216.8 Ų6.822%0.2165%0.046CC..THydrogen-bonded Turntrans78.712.1178.600000115N56 H85 L86 K151N56-G88 PolarHBondContact OD1-O 3Å; H85-G88 WeakPolarHBondContact O-CA 3.42Å; H85-G88 PolarHBondContact O-N 2.94Å; L86-G88 PolarHBondContact O-N 3.39Å; G88-K151 WeakPolarHBondContact CA-O 3.43Å
89K95.4Very high96.2Very high14 Ų146.6 Ų6.66%0.0615%0.045CC..  trans-87.4150.7177.2-54.9-50.5177.6-173.70111I27 E52 R55 F57 V59 C84 H85 S87I27-K89 HydrophobicContact CD1-CG 3.7Å; I27-K89 HydrophobicContact CG1-CG 4.48Å; E52-K89 PolarHBondContact O-NZ 3.44Å; R55-K89 PolarHBondContact O-NZ 3.26Å; F57-K89 HydrophobicContact CD1-CD 4.18Å; F57-K89 HydrophobicContact CE1-CD 4Å; F57-K89 HydrophobicContact CE2-CD 4.47Å; F57-K89 HydrophobicContact CE2-CG 4.39Å; F57-K89 HydrophobicContact CZ-CD 4.15Å; F57-K89 HydrophobicContact CZ-CG 4.33Å; F57-K89 WeakPolarHBondContact O-CB 3.31Å; V59-K89 HydrophobicContact CG2-CB 4.16Å; C84-K89 WeakPolarHBondContact O-CB 3.43Å; C84-K89 PolarHBondContact O-N 2.83Å; H85-K89 WeakPolarHBondContact CA-O 3.24Å; S87-K89 PolarHBondContact O-N 2.83Å
90D97.4Very high96Very high32 Ų326.6 Ų6.617%0.1715%0.045CC..EExtended strand (participates in β ladder)trans-71.6146.3169.2-57.7-40.9000108.7N56 F57 S58 V59 G153 S154N56-D90 PolarHBondContact ND2-OD2 3.42Å; N56-D90 VanDerWaalsContact ND2-OD2 3.15Å; F57-D90 PolarHBondContact O-N 3.1Å; S58-D90 CarbonylContact C-O 3.49Å; S58-D90 WeakPolarHBondContact CA-O 3.47Å; S58-D90 WeakPolarHBondContact OG-CB 3.4Å; V59-D90 PolarHBondContact N-O 3.24Å; D90-G153 WeakPolarHBondContact OD1-CA 3.37Å; D90-S154 CarbonylContact C-O 3.45Å; D90-S154 WeakPolarHBondContact CA-O 3.05Å; D90-S154 PolarHBondContact OD1-N 3.13Å; D90-S154 PolarHBondContact OD1-OG 3.33Å
91I98.4Very high95.8Very high3 Ų310 Ų102%0.0156%0.062CC..EExtended strand (participates in β ladder)trans-130.2144.8-179.362161.1000113.1V59 L81 L82 C84 H85 S154 V155 H156V59-I91 HydrophobicContact CB-CG2 4.4Å; V59-I91 CarbonylContact O-C 3.57Å; V59-I91 VanDerWaalsContact O-CA 3.23Å; V59-I91 WeakPolarHBondContact O-CA 3.46Å; L81-I91 HydrophobicContact CD1-CB 3.77Å; L81-I91 HydrophobicContact CD1-CG2 3.86Å; L81-I91 HydrophobicContact CD2-CB 4.3Å; L81-I91 HydrophobicContact CD2-CD1 4.21Å; L81-I91 HydrophobicContact CG-CB 3.8Å; L81-I91 HydrophobicContact CG-CD1 3.9Å; L81-I91 HydrophobicContact CG-CG1 4.42Å; L81-I91 HydrophobicContact CG-CG2 4.07Å; L81-I91 WeakPolarHBondContact O-CG2 3.23Å; L82-I91 HydrophobicContact CD2-CD1 3.96Å; C84-I91 HydrophobicContact CB-CG2 4.23Å; H85-I91 HydrophobicContact CB-CB 4.48Å; H85-I91 HydrophobicContact CB-CD1 3.73Å; H85-I91 HydrophobicContact CB-CG1 3.93Å; H85-I91 HydrophobicContact CB-CG2 3.74Å; I91-S154 PolarHBondContact N-O 2.91Å; I91-V155 HydrophobicContact CD1-CB 4.41Å; I91-V155 HydrophobicContact CD1-CG1 3.87Å; I91-V155 HydrophobicContact CD1-CG2 3.94Å; I91-V155 HydrophobicContact CG1-CB 4.1Å; I91-V155 HydrophobicContact CG1-CG1 3.93Å; I91-V155 HydrophobicContact CG1-CG2 3.78Å; I91-H156 PolarHBondContact O-N 3.41Å
92V98.7Very high95.5Very high0 Ų012.5 Ų12.50%08%0.075CC..EExtended strand (participates in β ladder)trans-129.7110.6-179.2-170.30000110V59 Y60 A61 V94 H156 V158 L219 F223V59-V92 PolarHBondContact O-N 2.91Å; Y60-V92 CarbonylContact C-O 3.27Å; Y60-V92 WeakPolarHBondContact CA-O 3.35Å; Y60-V92 VanDerWaalsContact CB-O 3.24Å; Y60-V92 WeakPolarHBondContact CB-O 3.22Å; A61-V92 PolarHBondContact N-O 3.48Å; A61-V92 VanDerWaalsContact N-O 3.09Å; V92-V94 HydrophobicContact CG1-CG2 3.96Å; V92-H156 CarbonylContact C-O 3.45Å; V92-H156 WeakPolarHBondContact CA-O 3.44Å; V92-H156 HydrophobicContact CG1-CB 4.29Å; V92-H156 HydrophobicContact CG2-CB 4.32Å; V92-V158 HydrophobicContact CG1-CG1 4.27Å; V92-V158 HydrophobicContact CG1-CG2 3.49Å; V92-V158 VanDerWaalsContact CG1-CG2 3.49Å; V92-L219 HydrophobicContact CG1-CD2 4.03Å; V92-F223 HydrophobicContact CG2-CB 4.24Å; V92-F223 HydrophobicContact CG2-CD1 3.88Å; V92-F223 HydrophobicContact CG2-CG 4.18Å
93A98.6Very high95.2Very high5 Ų512.5 Ų12.54%0.0418%0.075CC..EExtended strand (participates in β ladder)trans-86.4118.7167.800000108.7F63 L81 L131 H156 V157 V158F63-A93 HydrophobicContact CE2-CB 4.12Å; L81-A93 HydrophobicContact CD2-CB 4.05Å; A93-L131 HydrophobicContact CB-CD1 4.07Å; A93-L131 HydrophobicContact CB-CD2 4.45Å; A93-H156 PolarHBondContact N-O 3.49Å; A93-V157 HydrophobicContact CB-CG2 4.38Å; A93-V157 WeakPolarHBondContact O-CA 3.5Å; A93-V158 PolarHBondContact O-N 3.25Å
94V98.6Very high95Very high2 Ų212.7 Ų12.71%0.0128%0.077CC..EExtended strand (participates in β ladder)trans-103.7117.9-176.4-178.30000109.3Y60 A61 G62 F63 V92 V158 N160 W163 L219Y60-V94 HydrophobicContact CD2-CB 4.45Å; Y60-V94 HydrophobicContact CD2-CG2 3.73Å; Y60-V94 HydrophobicContact CE2-CG2 4.46Å; Y60-V94 HydrophobicContact CG-CG2 4.49Å; A61-V94 PolarHBondContact O-N 3Å; G62-V94 CarbonylContact C-O 3.52Å; G62-V94 WeakPolarHBondContact CA-O 3.35Å; F63-V94 PolarHBondContact N-O 3.5Å; V92-V94 HydrophobicContact CG1-CG2 3.96Å; V94-V158 CarbonylContact C-O 3.49Å; V94-V158 WeakPolarHBondContact CA-O 3.36Å; V94-V158 HydrophobicContact CB-CG2 4.37Å; V94-V158 HydrophobicContact CG1-CG2 4.48Å; V94-V158 HydrophobicContact CG2-CG2 3.84Å; V94-N160 HydrophobicContact CG1-CB 4.04Å; V94-W163 HydrophobicContact CG1-CH2 3.93Å; V94-W163 HydrophobicContact CG1-CZ2 4.16Å; V94-L219 HydrophobicContact CG2-CD1 3.68Å; V94-L219 HydrophobicContact CG2-CD2 4.3Å
95V98.4Very high94.8Very high0 Ų012.8 Ų12.80%08%0.077CC..EExtended strand (participates in β ladder)trans-80.5125.1168.21800000108.7G97 I127 E128 L131 V157 V158 N159 N160V95-G97 PolarHBondContact O-N 3.35Å; V95-I127 HydrophobicContact CG1-CG2 4.4Å; V95-I127 HydrophobicContact CG2-CG2 3.93Å; V95-E128 HydrophobicContact CB-CG 4.09Å; V95-E128 HydrophobicContact CG1-CG 4.32Å; V95-E128 HydrophobicContact CG2-CG 3.55Å; V95-L131 HydrophobicContact CG2-CD1 3.77Å; V95-V157 HydrophobicContact CG2-CG1 4.4Å; V95-V158 PolarHBondContact N-O 2.74Å; V95-N159 HydrophobicContact CB-CB 4.49Å; V95-N159 WeakPolarHBondContact O-CA 3.44Å; V95-N159 PolarHBondContact O-OD1 2.89Å; V95-N159 VanDerWaalsContact O-OD1 3.12Å; V95-N160 PolarHBondContact O-N 2.49Å; V95-N160 PolarHBondContact O-OD1 2.92Å
96G97.3Very high94.3Very high1 Ų113.1 Ų13.11%0.018%0.08CC..  trans-82.150.9-173.800000113.5F63 P65 S98 T99 G100 N160F63-G96 PolarHBondContact O-N 3.48Å; P65-G96 VanDerWaalsContact CD-C 3.5Å; P65-G96 WeakPolarHBondContact CD-O 3.43Å; G96-S98 PolarHBondContact O-N 2.89Å; G96-T99 WeakPolarHBondContact CA-OG1 3.4Å; G96-T99 PolarHBondContact O-N 2.78Å; G96-T99 PolarHBondContact O-OG1 2.71Å; G96-G100 WeakPolarHBondContact O-CA 3.44Å; G96-G100 PolarHBondContact O-N 3.19Å; G96-N160 VanDerWaalsContact C-OD1 3.23Å
97G95.3Very high93.7Very high8 Ų814.4 Ų14.48%0.08210%0.095CC..THydrogen-bonded Turntrans-54.6-36.2-176.400000114.1V95 I101 N159 N160V95-G97 PolarHBondContact O-N 3.35Å; G97-I101 WeakPolarHBondContact O-CD1 3.45Å; G97-I101 WeakPolarHBondContact O-CG1 3.14Å; G97-N159 WeakPolarHBondContact CA-OD1 3.36Å; G97-N159 PolarHBondContact N-OD1 3.34Å; G97-N159 VanDerWaalsContact N-OD1 3.17Å; G97-N160 PolarHBondContact N-OD1 3.4Å
98S94.3Very high93.2Very high17 Ų1718.4 Ų18.412%0.11911%0.108CC..THydrogen-bonded Turntrans-91-43.6177.2-57.50000113.1G96 G100 I101 N160 S161G96-S98 PolarHBondContact O-N 2.89Å; S98-G100 VanDerWaalsContact C-N 3.28Å; S98-G100 PolarHBondContact O-N 2.91Å; S98-I101 WeakPolarHBondContact O-CB 3.41Å; S98-I101 PolarHBondContact O-N 3.2Å; S98-N160 PolarHBondContact N-OD1 3.32Å; S98-S161 WeakPolarHBondContact OG-CA 3.3Å
99T93.8Very high92.8Very high3 Ų322 Ų222%0.01812%0.122CC..Hα-helixtrans-62.8-37.2178.745.70000111.5D64 G96 I101 L102 G103 N160 L164 Y208 V211D64-T99 WeakPolarHBondContact OD1-CB 3.47Å; D64-T99 PolarHBondContact OD1-OG1 3.38Å; G96-T99 WeakPolarHBondContact CA-OG1 3.4Å; G96-T99 PolarHBondContact O-N 2.78Å; G96-T99 PolarHBondContact O-OG1 2.71Å; T99-I101 PolarHBondContact O-N 2.78Å; T99-L102 PolarHBondContact O-N 3.03Å; T99-L102 VanDerWaalsContact O-N 3.11Å; T99-G103 PolarHBondContact O-N 2.94Å; T99-N160 VanDerWaalsContact CG2-ND2 3.3Å; T99-N160 WeakPolarHBondContact CG2-ND2 3.26Å; T99-N160 PolarHBondContact OG1-ND2 3.31Å; T99-L164 HydrophobicContact CG2-CD1 4.5Å; T99-Y208 HydrophobicContact CG2-CE2 4.36Å; T99-Y208 VanDerWaalsContact O-CE2 3.27Å; T99-Y208 WeakPolarHBondContact O-CE2 3.48Å; T99-V211 HydrophobicContact CG2-CB 4.48Å; T99-V211 HydrophobicContact CG2-CG1 3.8Å
100G92.7Very high92.3Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-57-33.3177.100000113.8D64 G96 S98 Y120D64-G100 PolarHBondContact OD1-N 2.88Å; G96-G100 WeakPolarHBondContact O-CA 3.44Å; G96-G100 PolarHBondContact O-N 3.19Å; S98-G100 VanDerWaalsContact C-N 3.28Å; S98-G100 PolarHBondContact O-N 2.91Å; G100-Y120 VanDerWaalsContact O-CE1 3.31Å; G100-Y120 WeakPolarHBondContact O-CE1 3.29Å; G100-Y120 VanDerWaalsContact O-CZ 3.31Å; G100-Y120 PolarHBondContact O-OH 3.02Å
101I92Very high91.6Very high75 Ų7532.3 Ų32.339%0.38517%0.165SC..Hα-helixtrans-66.8-40.8178.4-60.7165.8000111.2G97 S98 T99 L117 Y120G97-I101 WeakPolarHBondContact O-CD1 3.45Å; G97-I101 WeakPolarHBondContact O-CG1 3.14Å; S98-I101 WeakPolarHBondContact O-CB 3.41Å; S98-I101 PolarHBondContact O-N 3.2Å; T99-I101 PolarHBondContact O-N 2.78Å; I101-L117 HydrophobicContact CD1-CD2 3.67Å; I101-L117 HydrophobicContact CG1-CD2 3.94Å; I101-L117 HydrophobicContact CG2-CD2 3.86Å; I101-Y120 HydrophobicContact CG1-CD2 3.95Å; I101-Y120 HydrophobicContact CG1-CE2 4.48Å; I101-Y120 HydrophobicContact CG1-CG 4.23Å
102L90.7Very high90.9Very high58 Ų5834 Ų3430%0.30417%0.171SC..Hα-helixtrans-71-44.3177-62.2179.3000111.2T99 Y208 V211T99-L102 PolarHBondContact O-N 3.03Å; T99-L102 VanDerWaalsContact O-N 3.11Å; L102-Y208 HydrophobicContact CB-CD2 4.08Å; L102-V211 HydrophobicContact CD1-CB 4.04Å; L102-V211 HydrophobicContact CD1-CG1 4.28Å; L102-V211 HydrophobicContact CD1-CG2 3.61Å
103G90.1Very high90.2Very high2 Ų241.1 Ų41.12%0.02121%0.209CC..  trans84.911617800000113.8T99 P105 Y208T99-G103 PolarHBondContact O-N 2.94Å; G103-P105 WeakPolarHBondContact O-CD 3.31Å; G103-Y208 VanDerWaalsContact C-CD2 3.47Å
104D92Very high89.4Confident7 Ų749.9 Ų49.94%0.03724%0.242CC..  trans-64.4121.8177.3-175.413000112.6S106 R112 Y208 Q234 N237D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 3.47Å; D104-S106 PolarHBondContact OD1-OG 2.92Å; D104-S106 WeakPolarHBondContact OD2-CB 3.49Å; D104-S106 PolarHBondContact OD2-OG 3.34Å; D104-R112 VanDerWaalsContact CB-NH2 3.31Å; D104-R112 VanDerWaalsContact N-CZ 3.31Å; D104-R112 PolarHBondContact O-NH2 2.98Å; D104-Y208 HydrophobicContact CB-CD1 3.88Å; D104-Y208 HydrophobicContact CB-CD2 4.17Å; D104-Y208 HydrophobicContact CB-CE1 3.41Å; D104-Y208 VanDerWaalsContact CB-CE1 3.41Å; D104-Y208 HydrophobicContact CB-CE2 3.72Å; D104-Y208 HydrophobicContact CB-CG 4.27Å; D104-Y208 VanDerWaalsContact CG-CE1 3.48Å; D104-Y208 VanDerWaalsContact N-CE2 3.3Å; D104-Q234 PolarHBondContact OD2-NE2 3.16Å; D104-N237 PolarHBondContact OD1-ND2 3.11Å
105P90.4Very high89Confident1 Ų152.2 Ų52.21%0.00625%0.253CS..  trans-79.2-7.1175.533-36.2000113.8G103 G107 R108 M201 E205G103-P105 WeakPolarHBondContact O-CD 3.31Å; P105-G107 PolarHBondContact O-N 2.96Å; P105-R108 WeakPolarHBondContact O-CB 3.42Å; P105-R108 PolarHBondContact O-N 2.86Å; P105-M201 HydrophobicContact CB-CE 3.75Å; P105-M201 HydrophobicContact CG-CE 4.09Å; P105-E205 HydrophobicContact CB-CB 4.34Å; P105-E205 HydrophobicContact CG-CB 4.38Å
106S85.7Confident88.7Confident8 Ų855.3 Ų55.36%0.05628%0.275CS..THydrogen-bonded Turntrans-56.9123.9-172.7-570000113.7D104 R108 D233 N237D104-S106 VanDerWaalsContact C-N 3.3Å; D104-S106 WeakPolarHBondContact OD1-CB 3.45Å; D104-S106 PolarHBondContact OD1-N 3.47Å; D104-S106 PolarHBondContact OD1-OG 2.92Å; D104-S106 WeakPolarHBondContact OD2-CB 3.49Å; D104-S106 PolarHBondContact OD2-OG 3.34Å; S106-R108 VanDerWaalsContact C-N 3.26Å; S106-R108 PolarHBondContact O-N 3.34Å; S106-D233 WeakPolarHBondContact CB-O 3.42Å; S106-N237 PolarHBondContact OG-ND2 3.26Å
107G81.7Confident88.5Confident35 Ų3560.2 Ų60.236%0.36130%0.3SS..THydrogen-bonded Turntrans65.220.9-178.400000115.2P105P105-G107 PolarHBondContact O-N 2.96Å
108R82.1Confident88.5Confident95 Ų9562.3 Ų62.336%0.35832%0.322SS..  trans-119.5127-179.5-63.4-177.2177.7-124.94.2112.4P105 S106 R112 R194P105-R108 WeakPolarHBondContact O-CB 3.42Å; P105-R108 PolarHBondContact O-N 2.86Å; S106-R108 VanDerWaalsContact C-N 3.26Å; S106-R108 PolarHBondContact O-N 3.34Å; R108-R112 VanDerWaalsContact NH1-CG 3.33Å; R108-R194 PolarHBondContact O-NE 3.09Å
109I84.4Confident88.5Confident97 Ų9765.4 Ų65.450%0.49733%0.334SS..SBendtrans-76.9-22.1172.455.9165.5000113.3I193 R194 S197 N199I109-I193 HydrophobicContact CG2-CG2 3.88Å; I109-R194 WeakPolarHBondContact O-CD 3.33Å; I109-R194 PolarHBondContact O-NE 2.88Å; I109-S197 PolarHBondContact O-OG 3.12Å; I109-N199 WeakPolarHBondContact O-CB 3.35Å; I109-N199 PolarHBondContact O-ND2 2.85Å
110K84.9Confident88.5Confident139 Ų13965.8 Ų65.860%0.60434%0.335SS*.SBendtrans-126.4151.3-177.5-69.4-178.9-178.3-175.10111R194K110-R194 PolarHBondContact O-NH2 3.29Å
111K84.4Confident88.6Confident123 Ų12368.4 Ų68.454%0.53536%0.357SS..PPolyproline II helixtrans-61.2150171.1-175.8173.1177173.40111D202 E205K111-D202 VanDerWaalsContact CD-OD2 3.25Å; K111-D202 WeakPolarHBondContact CD-OD2 3.32Å; K111-D202 WeakPolarHBondContact CE-OD2 3.33Å; K111-D202 IonicContact NZ-OD2 2.78Å; K111-D202 PolarHBondContact NZ-OD2 2.74Å; K111-E205 WeakPolarHBondContact CA-OE1 3.4Å
112R83.3Confident88.8Confident38 Ų3867.7 Ų67.714%0.14336%0.359CS..PPolyproline II helixtrans-66.8143.2171.3-72.8176.9-168.5-178.8-2110.8D64 D104 R108 Y114D64-R112 IonicContact OD2-NH1 2.96Å; D64-R112 PolarHBondContact OD2-NH1 3.41Å; D104-R112 VanDerWaalsContact CB-NH2 3.31Å; D104-R112 VanDerWaalsContact N-CZ 3.31Å; D104-R112 PolarHBondContact O-NH2 2.98Å; R108-R112 VanDerWaalsContact NH1-CG 3.33Å; R112-Y114 PolarHBondContact O-N 3.43Å
113D83.5Confident89.1Confident149 Ų14965 Ų6580%0.79735%0.345SS*.PPolyproline II helixtrans-60136.7166.6-62.7-37.4000109.5
114Y82.5Confident89.4Confident189 Ų18965.2 Ų65.274%0.74135%0.346SS*.PPolyproline II helixtrans-66.7136.6-180178.3-95.5000110.6R112R112-Y114 PolarHBondContact O-N 3.43Å
115Q88.9Confident89.7Confident52 Ų5269 Ų6924%0.24337%0.37CS..  trans-117.4149.5169.3-59.3-178.6-100108.9T66 Q119 Y120 N123T66-Q115 PolarHBondContact O-NE2 3.32Å; Q115-Q119 HydrophobicContact CB-CB 4.24Å; Q115-Q119 HydrophobicContact CB-CG 4.33Å; Q115-Y120 HydrophobicContact CB-CD2 4.16Å; Q115-Y120 HydrophobicContact CB-CE1 4.3Å; Q115-Y120 HydrophobicContact CB-CE2 3.72Å; Q115-Y120 WeakPolarHBondContact O-CE2 3.25Å; Q115-N123 PolarHBondContact OE1-ND2 3.48Å
116S92.9Very high90Very high64 Ų6471.1 Ų71.145%0.44838%0.38SS..  trans-64.6151.5175.369.50000110.7G118 Q119 Y120S116-G118 PolarHBondContact O-N 3.3Å; S116-Q119 WeakPolarHBondContact O-CA 3.24Å; S116-Q119 WeakPolarHBondContact O-CB 3.47Å; S116-Q119 PolarHBondContact O-N 2.75Å; S116-Q119 WeakPolarHBondContact OG-CB 3.37Å; S116-Q119 PolarHBondContact OG-N 2.78Å; S116-Q119 VanDerWaalsContact OG-N 3.17Å; S116-Y120 PolarHBondContact O-N 2.84Å; S116-Y120 VanDerWaalsContact O-N 3.1Å
117L92.7Very high90.5Very high104 Ų10470.8 Ų70.855%0.54538%0.378SS..Hα-helixtrans-55.7-36.6174.5-65.9176.6000112I101 Q119 Y120 A121I101-L117 HydrophobicContact CD1-CD2 3.67Å; I101-L117 HydrophobicContact CG1-CD2 3.94Å; I101-L117 HydrophobicContact CG2-CD2 3.86Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; L117-Q119 PolarHBondContact O-N 3.05Å; L117-Y120 PolarHBondContact O-N 3.18Å; L117-A121 PolarHBondContact O-N 2.8Å
118G95.2Very high91.3Very high52 Ų5271.7 Ų71.754%0.53637%0.373SS..Hα-helixtrans-63.3-35.9174.500000113.3S116 S122S116-G118 PolarHBondContact O-N 3.3Å; G118-S122 WeakPolarHBondContact O-CB 3.39Å; G118-S122 PolarHBondContact O-N 2.85Å
119Q94.4Very high92Very high83 Ų8373 Ų7339%0.38838%0.383SS..Hα-helixtrans-68.4-43.4174.6-172.465.552.200111.4Q115 S116 L117 A121 S122 N123Q115-Q119 HydrophobicContact CB-CB 4.24Å; Q115-Q119 HydrophobicContact CB-CG 4.33Å; S116-Q119 WeakPolarHBondContact O-CA 3.24Å; S116-Q119 WeakPolarHBondContact O-CB 3.47Å; S116-Q119 PolarHBondContact O-N 2.75Å; S116-Q119 WeakPolarHBondContact OG-CB 3.37Å; S116-Q119 PolarHBondContact OG-N 2.78Å; S116-Q119 VanDerWaalsContact OG-N 3.17Å; L117-Q119 VanDerWaalsContact C-N 3.33Å; L117-Q119 PolarHBondContact O-N 3.05Å; Q119-A121 VanDerWaalsContact C-N 3.34Å; Q119-A121 PolarHBondContact O-N 2.75Å; Q119-S122 PolarHBondContact O-N 3.4Å; Q119-N123 PolarHBondContact NE2-OD1 3.11Å; Q119-N123 WeakPolarHBondContact O-CB 3.36Å; Q119-N123 PolarHBondContact O-N 3.21Å; Q119-N123 PolarHBondContact O-OD1 3.13Å
120Y94.2Very high92.6Very high10 Ų1068.8 Ų68.84%0.03936%0.362CS..Hα-helixtrans-61.9-40.9175.7-76.4-60.4000112.3P65 G100 I101 Q115 S116 L117 N123 S124P65-Y120 HydrophobicContact CG-CD1 4.3Å; G100-Y120 VanDerWaalsContact O-CE1 3.31Å; G100-Y120 WeakPolarHBondContact O-CE1 3.29Å; G100-Y120 VanDerWaalsContact O-CZ 3.31Å; G100-Y120 PolarHBondContact O-OH 3.02Å; I101-Y120 HydrophobicContact CG1-CD2 3.95Å; I101-Y120 HydrophobicContact CG1-CE2 4.48Å; I101-Y120 HydrophobicContact CG1-CG 4.23Å; Q115-Y120 HydrophobicContact CB-CD2 4.16Å; Q115-Y120 HydrophobicContact CB-CE1 4.3Å; Q115-Y120 HydrophobicContact CB-CE2 3.72Å; Q115-Y120 WeakPolarHBondContact O-CE2 3.25Å; S116-Y120 PolarHBondContact O-N 2.84Å; S116-Y120 VanDerWaalsContact O-N 3.1Å; L117-Y120 PolarHBondContact O-N 3.18Å; Y120-N123 PolarHBondContact O-N 3.32Å; Y120-S124 WeakPolarHBondContact O-CB 3.46Å; Y120-S124 PolarHBondContact O-N 3.37Å; Y120-S124 PolarHBondContact O-OG 2.78Å
121A95.2Very high93.2Very high56 Ų5662.3 Ų62.346%0.46333%0.334SS..Hα-helixtrans-62.2-48.5174.800000111.6L117 Q119 N123 S124 T125L117-A121 PolarHBondContact O-N 2.8Å; Q119-A121 VanDerWaalsContact C-N 3.34Å; Q119-A121 PolarHBondContact O-N 2.75Å; A121-N123 PolarHBondContact O-N 3.01Å; A121-S124 WeakPolarHBondContact O-CB 3.28Å; A121-S124 PolarHBondContact O-N 3.03Å; A121-T125 PolarHBondContact O-N 2.94Å; A121-T125 VanDerWaalsContact O-N 3.14Å; A121-T125 PolarHBondContact O-OG1 2.8Å
122S96.6Very high93.8Very high60 Ų6060.4 Ų60.442%0.4233%0.33SS..Hα-helixtrans-58.8-46.8176.3-177.20000112.3G118 Q119 S124 T125 L126G118-S122 WeakPolarHBondContact O-CB 3.39Å; G118-S122 PolarHBondContact O-N 2.85Å; Q119-S122 PolarHBondContact O-N 3.4Å; S122-S124 VanDerWaalsContact C-N 3.31Å; S122-S124 PolarHBondContact O-N 2.96Å; S122-T125 PolarHBondContact O-N 3.23Å; S122-L126 WeakPolarHBondContact O-CG 3.4Å; S122-L126 PolarHBondContact O-N 2.76Å; S122-L126 VanDerWaalsContact O-N 3.13Å
123N96.2Very high94.5Very high2 Ų261.8 Ų61.81%0.01134%0.337CS..Hα-helixtrans-61.4-39.4176.3-69.7-7.6000111.8P65 C67 D68 Q115 Q119 Y120 A121 L126 I127P65-N123 HydrophobicContact CB-CB 3.74Å; P65-N123 WeakPolarHBondContact O-CB 3.27Å; P65-N123 PolarHBondContact O-ND2 3.12Å; C67-N123 VanDerWaalsContact C-CG 3.4Å; D68-N123 WeakPolarHBondContact CA-OD1 3.34Å; D68-N123 PolarHBondContact N-OD1 3.32Å; Q115-N123 PolarHBondContact OE1-ND2 3.48Å; Q119-N123 PolarHBondContact NE2-OD1 3.11Å; Q119-N123 WeakPolarHBondContact O-CB 3.36Å; Q119-N123 PolarHBondContact O-N 3.21Å; Q119-N123 PolarHBondContact O-OD1 3.13Å; Y120-N123 PolarHBondContact O-N 3.32Å; A121-N123 PolarHBondContact O-N 3.01Å; N123-L126 PolarHBondContact O-N 3.2Å; N123-I127 WeakPolarHBondContact O-CG1 3.32Å; N123-I127 PolarHBondContact O-N 3.45Å
124S97Very high95.2Very high5 Ų554.8 Ų54.84%0.03530%0.3CS..Hα-helixtrans-59-51.4178.1-59.30000110.8P65 Y120 A121 S122 L126 I127 E128P65-S124 WeakPolarHBondContact CG-OG 3.41Å; Y120-S124 WeakPolarHBondContact O-CB 3.46Å; Y120-S124 PolarHBondContact O-N 3.37Å; Y120-S124 PolarHBondContact O-OG 2.78Å; A121-S124 WeakPolarHBondContact O-CB 3.28Å; A121-S124 PolarHBondContact O-N 3.03Å; S122-S124 VanDerWaalsContact C-N 3.31Å; S122-S124 PolarHBondContact O-N 2.96Å; S124-L126 VanDerWaalsContact C-N 3.29Å; S124-L126 PolarHBondContact O-N 3.48Å; S124-I127 PolarHBondContact O-N 3.18Å; S124-I127 VanDerWaalsContact O-N 3.13Å; S124-E128 WeakPolarHBondContact O-CG 3.38Å; S124-E128 PolarHBondContact O-N 2.96Å
125T97.2Very high95.9Very high88 Ų8847 Ų4754%0.5427%0.27SS..Hα-helixtrans-58.6-39.4177.2-55.50000112.4A121 S122 H129A121-T125 PolarHBondContact O-N 2.94Å; A121-T125 VanDerWaalsContact O-N 3.14Å; A121-T125 PolarHBondContact O-OG1 2.8Å; S122-T125 PolarHBondContact O-N 3.23Å; T125-H129 PolarHBondContact O-N 3.14Å
126L96.8Very high96.3Very high44 Ų4451.6 Ų51.623%0.2329%0.286CS..Hα-helixtrans-67.9-37.9177.7-68.9170.5000112.4D68 S122 N123 S124 S130 M286D68-L126 HydrophobicContact CB-CD1 3.73Å; S122-L126 WeakPolarHBondContact O-CG 3.4Å; S122-L126 PolarHBondContact O-N 2.76Å; S122-L126 VanDerWaalsContact O-N 3.13Å; N123-L126 PolarHBondContact O-N 3.2Å; S124-L126 VanDerWaalsContact C-N 3.29Å; S124-L126 PolarHBondContact O-N 3.48Å; L126-S130 WeakPolarHBondContact O-CB 3.41Å; L126-S130 PolarHBondContact O-N 2.92Å; L126-M286 HydrophobicContact CB-CE 4.36Å; L126-M286 HydrophobicContact CB-SD 4Å; L126-M286 HydrophobicContact CD1-CE 4.24Å; L126-M286 HydrophobicContact CD2-CE 4.21Å; L126-M286 HydrophobicContact CD2-SD 4.15Å
127I97.1Very high96.5Very high2 Ų248.9 Ų48.91%0.0127%0.267CS..Hα-helixtrans-69.8-42.3176-71.1177.1000111.2F63 P65 L70 V95 N123 S124 H129 S130 L131F63-I127 HydrophobicContact CB-CG2 4.39Å; P65-I127 VanDerWaalsContact CA-CD1 3.45Å; P65-I127 HydrophobicContact CB-CD1 3.84Å; L70-I127 HydrophobicContact CD1-CG2 4.22Å; L70-I127 HydrophobicContact CD2-CD1 3.97Å; L70-I127 HydrophobicContact CD2-CG1 4.21Å; L70-I127 HydrophobicContact CD2-CG2 4.06Å; L70-I127 HydrophobicContact CG-CG1 4.23Å; L70-I127 HydrophobicContact CG-CG2 4.1Å; V95-I127 HydrophobicContact CG1-CG2 4.4Å; V95-I127 HydrophobicContact CG2-CG2 3.93Å; N123-I127 WeakPolarHBondContact O-CG1 3.32Å; N123-I127 PolarHBondContact O-N 3.45Å; S124-I127 PolarHBondContact O-N 3.18Å; S124-I127 VanDerWaalsContact O-N 3.13Å; I127-H129 PolarHBondContact O-N 3.01Å; I127-S130 WeakPolarHBondContact O-CB 3.44Å; I127-S130 PolarHBondContact O-N 3.39Å; I127-S130 VanDerWaalsContact O-N 3.15Å; I127-L131 HydrophobicContact CG2-CD1 3.96Å; I127-L131 HydrophobicContact CG2-CG 4.36Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 3.31Å
128E97.4Very high96.7Very high54 Ų5443.9 Ų43.925%0.25224%0.241SC..Hα-helixtrans-53.9-52.9172.8-71.4170.4-167.100110.3V95 S124 S130 L131 D132 V157 N159V95-E128 HydrophobicContact CB-CG 4.09Å; V95-E128 HydrophobicContact CG1-CG 4.32Å; V95-E128 HydrophobicContact CG2-CG 3.55Å; S124-E128 WeakPolarHBondContact O-CG 3.38Å; S124-E128 PolarHBondContact O-N 2.96Å; E128-S130 VanDerWaalsContact C-N 3.29Å; E128-S130 PolarHBondContact O-N 3.28Å; E128-L131 PolarHBondContact O-N 3.25Å; E128-L131 VanDerWaalsContact O-N 3.08Å; E128-D132 PolarHBondContact O-N 2.86Å; E128-V157 HydrophobicContact CB-CG1 4.48Å; E128-V157 HydrophobicContact CG-CG1 4.35Å; E128-N159 WeakPolarHBondContact OE1-CB 3.25Å; E128-N159 PolarHBondContact OE1-ND2 2.84Å
129H96.6Very high96.7Very high121 Ų12146.1 Ų46.156%0.5623%0.233SC*.Hα-helixtrans-59.3-38.6177.2-176.268.8000112.9T125 I127 K133T125-H129 PolarHBondContact O-N 3.14Å; I127-H129 PolarHBondContact O-N 3.01Å; H129-K133 WeakPolarHBondContact O-CB 3.44Å; H129-K133 PolarHBondContact O-N 2.65Å
130S96.9Very high96.8Very high9 Ų944.1 Ų44.16%0.06323%0.227CC..Hα-helixtrans-65.1-40176.1-173.30000112.2L126 I127 E128 I134L126-S130 WeakPolarHBondContact O-CB 3.41Å; L126-S130 PolarHBondContact O-N 2.92Å; I127-S130 WeakPolarHBondContact O-CB 3.44Å; I127-S130 PolarHBondContact O-N 3.39Å; I127-S130 VanDerWaalsContact O-N 3.15Å; E128-S130 VanDerWaalsContact C-N 3.29Å; E128-S130 PolarHBondContact O-N 3.28Å; S130-I134 WeakPolarHBondContact O-CD1 3.43Å; S130-I134 VanDerWaalsContact O-CG1 3.32Å; S130-I134 WeakPolarHBondContact O-CG1 3.25Å; S130-I134 PolarHBondContact O-N 3.29Å; S130-I134 VanDerWaalsContact O-N 3.13Å
131L98.1Very high96.7Very high4 Ų445.1 Ų45.12%0.02123%0.232CC..Hα-helixtrans-68.4-45.9177.5-71.8167.7000110.8F63 L70 V78 A93 V95 I127 E128 K133 I134 I135 V157F63-L131 HydrophobicContact CD2-CD1 4.08Å; F63-L131 HydrophobicContact CD2-CD2 4.33Å; F63-L131 HydrophobicContact CE2-CD2 4.17Å; L70-L131 HydrophobicContact CD1-CD2 3.97Å; L70-L131 HydrophobicContact CD1-CG 4.27Å; V78-L131 HydrophobicContact CG2-CD2 3.98Å; A93-L131 HydrophobicContact CB-CD1 4.07Å; A93-L131 HydrophobicContact CB-CD2 4.45Å; V95-L131 HydrophobicContact CG2-CD1 3.77Å; I127-L131 HydrophobicContact CG2-CD1 3.96Å; I127-L131 HydrophobicContact CG2-CG 4.36Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 3.31Å; E128-L131 PolarHBondContact O-N 3.25Å; E128-L131 VanDerWaalsContact O-N 3.08Å; L131-K133 VanDerWaalsContact C-N 3.28Å; L131-K133 PolarHBondContact O-N 2.71Å; L131-I134 PolarHBondContact O-N 3.22Å; L131-I134 VanDerWaalsContact O-N 3.13Å; L131-I135 WeakPolarHBondContact O-CD1 3.24Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.36Å; L131-I135 PolarHBondContact O-N 2.73Å; L131-V157 HydrophobicContact CB-CG1 4.32Å; L131-V157 HydrophobicContact CB-CG2 4.18Å; L131-V157 HydrophobicContact CD1-CG1 4.18Å
132D97.7Very high96.6Very high83 Ų8342.5 Ų42.544%0.44421%0.21SC..Hα-helixtrans-56.6-43.3175.5-76.2-26.4000111.7E128 I135 Y136 V157E128-D132 PolarHBondContact O-N 2.86Å; D132-I135 PolarHBondContact O-N 3.23Å; D132-Y136 WeakPolarHBondContact O-CB 3.1Å; D132-Y136 PolarHBondContact O-N 3.37Å; D132-V157 WeakPolarHBondContact OD1-CG2 3.47Å
133K97.2Very high96.4Very high67 Ų6740.5 Ų40.529%0.29120%0.195SC..Hα-helixtrans-62.7-43.8176.2-177.6172.9179.1170.10112.4H129 L131 I135 Y136 N137 V351H129-K133 WeakPolarHBondContact O-CB 3.44Å; H129-K133 PolarHBondContact O-N 2.65Å; L131-K133 VanDerWaalsContact C-N 3.28Å; L131-K133 PolarHBondContact O-N 2.71Å; K133-I135 VanDerWaalsContact C-N 3.34Å; K133-Y136 PolarHBondContact O-N 2.94Å; K133-N137 VanDerWaalsContact O-CG 3.25Å; K133-N137 PolarHBondContact O-N 3.46Å; K133-N137 PolarHBondContact O-ND2 2.9Å; K133-V351 WeakPolarHBondContact CE-O 3.32Å
134I98.3Very high96.2Very high2 Ų243.9 Ų43.91%0.0122%0.217CC..Hα-helixtrans-62.4-44176.6-70.6163.3000110.4L75 V78 L82 S130 L131 N137 Y138 L285 L350L75-I134 HydrophobicContact CD1-CD1 4.14Å; V78-I134 HydrophobicContact CG1-CG2 3.89Å; L82-I134 HydrophobicContact CD1-CG2 4.44Å; S130-I134 WeakPolarHBondContact O-CD1 3.43Å; S130-I134 VanDerWaalsContact O-CG1 3.32Å; S130-I134 WeakPolarHBondContact O-CG1 3.25Å; S130-I134 PolarHBondContact O-N 3.29Å; S130-I134 VanDerWaalsContact O-N 3.13Å; L131-I134 PolarHBondContact O-N 3.22Å; L131-I134 VanDerWaalsContact O-N 3.13Å; I134-N137 PolarHBondContact O-N 3.34Å; I134-Y138 VanDerWaalsContact O-CB 3.25Å; I134-Y138 WeakPolarHBondContact O-CB 3.47Å; I134-Y138 PolarHBondContact O-N 2.89Å; I134-L285 HydrophobicContact CD1-CD1 3.99Å; I134-L350 HydrophobicContact CG2-CD1 3.87Å; I134-L350 HydrophobicContact CG2-CG 4Å
135I97.9Very high95.7Very high25 Ų2545.4 Ų45.413%0.12823%0.23CC..Hα-helixtrans-62.1-45.1177.5-70.3160.8000110.6L131 D132 K133 Y138 W139 V155 V157L131-I135 WeakPolarHBondContact O-CD1 3.24Å; L131-I135 VanDerWaalsContact O-CG1 3.31Å; L131-I135 WeakPolarHBondContact O-CG1 3.36Å; L131-I135 PolarHBondContact O-N 2.73Å; D132-I135 PolarHBondContact O-N 3.23Å; K133-I135 VanDerWaalsContact C-N 3.34Å; I135-Y138 WeakPolarHBondContact O-CB 3.32Å; I135-Y138 PolarHBondContact O-N 3.07Å; I135-W139 PolarHBondContact O-N 2.66Å; I135-V155 HydrophobicContact CD1-CG1 3.57Å; I135-V155 HydrophobicContact CG1-CG1 3.87Å; I135-V155 HydrophobicContact CG2-CB 4.43Å; I135-V155 HydrophobicContact CG2-CG1 3.83Å; I135-V157 HydrophobicContact CD1-CG2 3.34Å
136Y97.8Very high95.3Very high148 Ų14841.9 Ų41.958%0.5821%0.208SC*.Hα-helixtrans-58.1-49.1175.3172.8-92.6000112D132 K133 Y138 W139 T140D132-Y136 WeakPolarHBondContact O-CB 3.1Å; D132-Y136 PolarHBondContact O-N 3.37Å; K133-Y136 PolarHBondContact O-N 2.94Å; Y136-Y138 VanDerWaalsContact C-N 3.33Å; Y136-Y138 PolarHBondContact O-N 2.71Å; Y136-W139 PolarHBondContact O-N 3Å; Y136-T140 WeakPolarHBondContact O-CB 3.38Å; Y136-T140 PolarHBondContact O-N 2.77Å; Y136-T140 PolarHBondContact O-OG1 2.8Å
137N97.2Very high94.7Very high7 Ų743.9 Ų43.94%0.03722%0.223CC..Hα-helixtrans-64.4-39178.5-68.9-25.8000111.9K133 I134 T140 H141 L350 V351 G353K133-N137 VanDerWaalsContact O-CG 3.25Å; K133-N137 PolarHBondContact O-N 3.46Å; K133-N137 PolarHBondContact O-ND2 2.9Å; I134-N137 PolarHBondContact O-N 3.34Å; N137-T140 PolarHBondContact O-N 3.03Å; N137-H141 WeakPolarHBondContact O-CB 3.35Å; N137-H141 PolarHBondContact O-N 2.79Å; N137-L350 WeakPolarHBondContact CB-O 3.4Å; N137-L350 PolarHBondContact ND2-O 3.44Å; N137-V351 PolarHBondContact ND2-O 3.16Å; N137-G353 PolarHBondContact ND2-N 2.78Å
138Y96.3Very high93.9Very high0 Ų046.3 Ų46.30%024%0.236CC..Iπ-helixtrans-58-50.3174.5164.5-103.5000111.4L82 H85 L86 I134 I135 Y136 T140 I142 V143 F317L82-Y138 HydrophobicContact CB-CD2 4.48Å; L82-Y138 HydrophobicContact CB-CE2 4.2Å; L82-Y138 HydrophobicContact CD1-CD2 3.92Å; L82-Y138 HydrophobicContact CD1-CE2 4.46Å; L82-Y138 HydrophobicContact CD1-CG 4.07Å; L82-Y138 HydrophobicContact CD2-CD1 3.78Å; L82-Y138 HydrophobicContact CD2-CD2 4.21Å; L82-Y138 HydrophobicContact CD2-CE1 3.92Å; L82-Y138 HydrophobicContact CD2-CE2 4.34Å; L82-Y138 HydrophobicContact CD2-CG 3.92Å; L82-Y138 HydrophobicContact CG-CD2 4.43Å; H85-Y138 AromaticContact CE1-CE1 3.78Å; H85-Y138 AromaticContact ND1-CE1 3.48Å; H85-Y138 WeakPolarHBondContact ND1-CE1 3.16Å; H85-Y138 AromaticContact ND1-CZ 3.58Å; H85-Y138 PolarHBondContact ND1-OH 3.42Å; L86-Y138 HydrophobicContact CD2-CE2 4.32Å; L86-Y138 WeakPolarHBondContact CD2-OH 3.38Å; L86-Y138 HydrophobicContact CG-CE2 4.47Å; L86-Y138 VanDerWaalsContact CG-OH 3.28Å; L86-Y138 WeakPolarHBondContact CG-OH 3.38Å; I134-Y138 VanDerWaalsContact O-CB 3.25Å; I134-Y138 WeakPolarHBondContact O-CB 3.47Å; I134-Y138 PolarHBondContact O-N 2.89Å; I135-Y138 WeakPolarHBondContact O-CB 3.32Å; I135-Y138 PolarHBondContact O-N 3.07Å; Y136-Y138 VanDerWaalsContact C-N 3.33Å; Y136-Y138 PolarHBondContact O-N 2.71Å; Y138-T140 PolarHBondContact O-N 3.12Å; Y138-I142 HydrophobicContact CD2-CB 3.86Å; Y138-I142 HydrophobicContact CD2-CG1 4.37Å; Y138-I142 HydrophobicContact CD2-CG2 4.01Å; Y138-I142 HydrophobicContact CE2-CB 4.43Å; Y138-I142 HydrophobicContact CE2-CG2 4.19Å; Y138-I142 WeakPolarHBondContact O-CA 3.42Å; Y138-I142 WeakPolarHBondContact O-CB 3.36Å; Y138-I142 PolarHBondContact O-N 3.48Å; Y138-V143 HydrophobicContact CD1-CG2 3.93Å; Y138-V143 HydrophobicContact CD2-CG2 4.24Å; Y138-V143 HydrophobicContact CE1-CG2 3.43Å; Y138-V143 VanDerWaalsContact CE1-CG2 3.43Å; Y138-V143 HydrophobicContact CE2-CG2 3.77Å; Y138-V143 HydrophobicContact CG-CG2 4.32Å; Y138-V143 PolarHBondContact O-N 2.93Å; Y138-F317 HydrophobicContact CD2-CZ 4.37Å; Y138-F317 HydrophobicContact CE2-CZ 4.34Å
139W95.8Very high92.8Very high98 Ų9848 Ų4837%0.37125%0.253SS..Iπ-helixtrans-64.4-36.8176.4-79.8115.5000113.4H85 I135 Y136 V143 P144 L152 V155H85-W139 AromaticContact CE1-CH2 3.34Å; H85-W139 WeakPolarHBondContact CE1-CH2 3.31Å; H85-W139 AromaticContact CE1-CZ2 3.24Å; H85-W139 WeakPolarHBondContact CE1-CZ2 3.48Å; H85-W139 AromaticContact NE2-CH2 3.57Å; H85-W139 AromaticContact NE2-CZ2 3.31Å; H85-W139 VanDerWaalsContact NE2-CZ2 3.31Å; H85-W139 WeakPolarHBondContact NE2-CZ2 3.4Å; I135-W139 PolarHBondContact O-N 2.66Å; Y136-W139 PolarHBondContact O-N 3Å; W139-V143 HydrophobicContact CD2-CG2 4.38Å; W139-V143 HydrophobicContact CE3-CB 4.12Å; W139-V143 HydrophobicContact CE3-CG1 3.91Å; W139-V143 HydrophobicContact CE3-CG2 3.87Å; W139-V143 HydrophobicContact CZ3-CG1 3.94Å; W139-V143 HydrophobicContact CZ3-CG2 4.25Å; W139-P144 VanDerWaalsContact O-CD 3.27Å; W139-P144 WeakPolarHBondContact O-CD 3.4Å; W139-P144 WeakPolarHBondContact O-CG 3.4Å; W139-L152 HydrophobicContact CH2-CB 3.95Å; W139-L152 HydrophobicContact CH2-CD1 3.58Å; W139-L152 HydrophobicContact CH2-CG 4.42Å; W139-L152 HydrophobicContact CZ3-CD1 3.43Å; W139-L152 VanDerWaalsContact CZ3-CD1 3.43Å; W139-V155 HydrophobicContact CZ2-CG2 4.01Å
140T94.8Very high92Very high41 Ų4144.7 Ų44.725%0.25225%0.252SS..Iπ-helixtrans-80.8-34.1-174.3-54.30000112.7Y136 N137 Y138Y136-T140 WeakPolarHBondContact O-CB 3.38Å; Y136-T140 PolarHBondContact O-N 2.77Å; Y136-T140 PolarHBondContact O-OG1 2.8Å; N137-T140 PolarHBondContact O-N 3.03Å; Y138-T140 PolarHBondContact O-N 3.12Å
141H92.5Very high91.6Very high31 Ų3153.3 Ų53.314%0.14429%0.289CS..Iπ-helixtrans-123.2-28.3-166.7-56.1-50.4000114.9N137 L349 A354N137-H141 WeakPolarHBondContact O-CB 3.35Å; N137-H141 PolarHBondContact O-N 2.79Å; H141-L349 HydrophobicContact CB-CD1 3.76Å; H141-L349 HydrophobicContact CB-CD2 3.92Å; H141-L349 HydrophobicContact CB-CG 3.83Å; H141-A354 PolarHBondContact NE2-N 3.33Å
142I92.6Very high91.3Very high1 Ų154.5 Ų54.51%0.00530%0.295CS..Iπ-helixtrans-97.2-55.4-175.2-53.2-61000110.6Y21 Y138 A145 L146 F317 L349 L350Y21-I142 HydrophobicContact CE2-CD1 4.26Å; Y21-I142 HydrophobicContact CE2-CG2 4.09Å; Y21-I142 WeakPolarHBondContact OH-CD1 3.36Å; Y138-I142 HydrophobicContact CD2-CB 3.86Å; Y138-I142 HydrophobicContact CD2-CG1 4.37Å; Y138-I142 HydrophobicContact CD2-CG2 4.01Å; Y138-I142 HydrophobicContact CE2-CB 4.43Å; Y138-I142 HydrophobicContact CE2-CG2 4.19Å; Y138-I142 WeakPolarHBondContact O-CA 3.42Å; Y138-I142 WeakPolarHBondContact O-CB 3.36Å; Y138-I142 PolarHBondContact O-N 3.48Å; I142-A145 PolarHBondContact O-N 2.73Å; I142-L146 HydrophobicContact CG2-CD1 3.82Å; I142-L146 PolarHBondContact O-N 3.27Å; I142-F317 HydrophobicContact CG2-CB 4.4Å; I142-F317 HydrophobicContact CG2-CD2 3.66Å; I142-F317 HydrophobicContact CG2-CE2 4.07Å; I142-F317 HydrophobicContact CG2-CG 4.02Å; I142-L349 HydrophobicContact CD1-CD2 3.98Å; I142-L349 HydrophobicContact CD1-CG 4.43Å; I142-L350 HydrophobicContact CG1-CD1 4.33Å
143V92.9Very high91.1Very high18 Ų1851.2 Ų51.211%0.10928%0.28CS..G310 helixtrans-52-46179.5170.40000112.8Y138 W139 A145 L146 I148 L152Y138-V143 HydrophobicContact CD1-CG2 3.93Å; Y138-V143 HydrophobicContact CD2-CG2 4.24Å; Y138-V143 HydrophobicContact CE1-CG2 3.43Å; Y138-V143 VanDerWaalsContact CE1-CG2 3.43Å; Y138-V143 HydrophobicContact CE2-CG2 3.77Å; Y138-V143 HydrophobicContact CG-CG2 4.32Å; Y138-V143 PolarHBondContact O-N 2.93Å; W139-V143 HydrophobicContact CD2-CG2 4.38Å; W139-V143 HydrophobicContact CE3-CB 4.12Å; W139-V143 HydrophobicContact CE3-CG1 3.91Å; W139-V143 HydrophobicContact CE3-CG2 3.87Å; W139-V143 HydrophobicContact CZ3-CG1 3.94Å; W139-V143 HydrophobicContact CZ3-CG2 4.25Å; V143-A145 PolarHBondContact O-N 2.66Å; V143-A145 VanDerWaalsContact O-N 3.16Å; V143-L146 PolarHBondContact O-N 3.35Å; V143-L146 VanDerWaalsContact O-N 3.14Å; V143-I148 HydrophobicContact CG1-CD1 3.72Å; V143-L152 HydrophobicContact CG1-CD1 3.75Å; V143-L152 HydrophobicContact CG2-CD1 4.45Å
144P91.2Very high91.1Very high74 Ų7450.1 Ų50.148%0.48128%0.281SS..G310 helixtrans-68.4-14.9-178.2-22.336.7000114.5W139W139-P144 VanDerWaalsContact O-CD 3.27Å; W139-P144 WeakPolarHBondContact O-CD 3.4Å; W139-P144 WeakPolarHBondContact O-CG 3.4Å
145A88.5Confident91Very high37 Ų3751.7 Ų51.731%0.30629%0.291SS..G310 helixtrans-98.5-3178.300000112.8Y21 I142 V143Y21-A145 HydrophobicContact CD2-CB 3.61Å; Y21-A145 HydrophobicContact CE2-CB 3.64Å; I142-A145 PolarHBondContact O-N 2.73Å; V143-A145 PolarHBondContact O-N 2.66Å; V143-A145 VanDerWaalsContact O-N 3.16Å
146L87.1Confident91Very high14 Ų1453.8 Ų53.87%0.07330%0.3CS..SBendtrans-92140.5179.5-84154.4000111.4Y21 L86 I142 V143 I148Y21-L146 VanDerWaalsContact CB-CD2 3.46Å; Y21-L146 HydrophobicContact CD2-CG 3.98Å; Y21-L146 HydrophobicContact CG-CD2 4.32Å; Y21-L146 HydrophobicContact CG-CG 4.28Å; L86-L146 HydrophobicContact CD1-CD1 3.64Å; L86-L146 HydrophobicContact CD1-CD2 4.31Å; L86-L146 HydrophobicContact CD2-CD1 3.56Å; L86-L146 HydrophobicContact CG-CD1 4.25Å; I142-L146 HydrophobicContact CG2-CD1 3.82Å; I142-L146 PolarHBondContact O-N 3.27Å; V143-L146 PolarHBondContact O-N 3.35Å; V143-L146 VanDerWaalsContact O-N 3.14Å; L146-I148 VanDerWaalsContact C-N 3.29Å; L146-I148 HydrophobicContact CB-CD1 4Å; L146-I148 HydrophobicContact CB-CG1 3.7Å; L146-I148 PolarHBondContact O-N 2.79Å
147P84.2Confident91Very high85 Ų8548.6 Ų48.655%0.55228%0.283SS*.  trans-76.478.6172.132.1-34.5000110.6Y21 S23Y21-P147 WeakPolarHBondContact O-CD 3.32Å; S23-P147 PolarHBondContact OG-O 2.69Å
148I81.2Confident91.1Very high54 Ų5449.3 Ų49.328%0.27729%0.288SS..  trans-87.8118.8-176.3-55.9178.5000109.9L86 V143 L146 G150 L152L86-I148 HydrophobicContact CD2-CD1 4.14Å; V143-I148 HydrophobicContact CG1-CD1 3.72Å; L146-I148 VanDerWaalsContact C-N 3.29Å; L146-I148 HydrophobicContact CB-CD1 4Å; L146-I148 HydrophobicContact CB-CG1 3.7Å; L146-I148 PolarHBondContact O-N 2.79Å; I148-G150 VanDerWaalsContact CG2-O 3.28Å; I148-G150 WeakPolarHBondContact CG2-O 3.4Å; I148-L152 HydrophobicContact CD1-CD1 3.8Å; I148-L152 HydrophobicContact CD1-CD2 4.17Å; I148-L152 HydrophobicContact CD1-CG 4.3Å; I148-L152 HydrophobicContact CG2-CD2 4.24Å; I148-L152 HydrophobicContact CG2-CG 4.25Å
149S73.4Confident91.2Very high88 Ų8849.8 Ų49.862%0.61529%0.291SS*.  trans-102.42.8-178.6550000114.3K25K25-S149 WeakPolarHBondContact CE-OG 3.16Å
150G80.7Confident91.3Very high52 Ų5245.1 Ų45.154%0.53627%0.273SS..SBendtrans-140.2175.7-17600000113I148I148-G150 VanDerWaalsContact CG2-O 3.28Å; I148-G150 WeakPolarHBondContact CG2-O 3.4Å
151K88Confident91.3Very high190 Ų19044.6 Ų44.683%0.82627%0.271SS*.  trans-74132.2175-175.4-179.6175.3-173.30109.7G88G88-K151 WeakPolarHBondContact CA-O 3.43Å
152L93Very high91.5Very high30 Ų3047.9 Ų47.916%0.15729%0.29CS..  trans-79148.3170-67.4172000110.9H85 L86 W139 V143 I148H85-L152 WeakPolarHBondContact O-CD2 3.33Å; L86-L152 HydrophobicContact CD2-CD2 4.18Å; W139-L152 HydrophobicContact CH2-CB 3.95Å; W139-L152 HydrophobicContact CH2-CD1 3.58Å; W139-L152 HydrophobicContact CH2-CG 4.42Å; W139-L152 HydrophobicContact CZ3-CD1 3.43Å; W139-L152 VanDerWaalsContact CZ3-CD1 3.43Å; V143-L152 HydrophobicContact CG1-CD1 3.75Å; V143-L152 HydrophobicContact CG2-CD1 4.45Å; I148-L152 HydrophobicContact CD1-CD1 3.8Å; I148-L152 HydrophobicContact CD1-CD2 4.17Å; I148-L152 HydrophobicContact CD1-CG 4.3Å; I148-L152 HydrophobicContact CG2-CD2 4.24Å; I148-L152 HydrophobicContact CG2-CG 4.25Å
153G92.7Very high91.6Very high13 Ų1348.5 Ų48.513%0.13429%0.292CS..  trans-74.4-176.4176.400000113.3H85 D90H85-G153 PolarHBondContact NE2-O 3Å; D90-G153 WeakPolarHBondContact OD1-CA 3.37Å
154S96.2Very high91.7Very high45 Ų4548.8 Ų48.832%0.31529%0.293SS..  trans-81.3155.916862.70000111.5D90 I91 H156D90-S154 CarbonylContact C-O 3.45Å; D90-S154 WeakPolarHBondContact CA-O 3.05Å; D90-S154 PolarHBondContact OD1-N 3.13Å; D90-S154 PolarHBondContact OD1-OG 3.33Å; I91-S154 PolarHBondContact N-O 2.91Å; S154-H156 WeakPolarHBondContact CB-NE2 3.44Å; S154-H156 PolarHBondContact OG-CD2 3.28Å; S154-H156 PolarHBondContact OG-NE2 2.89Å
155V97.6Very high91.7Very high34 Ų3449.4 Ų49.421%0.20630%0.295CS..EExtended strand (participates in β ladder)trans-121.9126.1174.8-176.90000108.3I91 I135 W139I91-V155 HydrophobicContact CD1-CB 4.41Å; I91-V155 HydrophobicContact CD1-CG1 3.87Å; I91-V155 HydrophobicContact CD1-CG2 3.94Å; I91-V155 HydrophobicContact CG1-CB 4.1Å; I91-V155 HydrophobicContact CG1-CG1 3.93Å; I91-V155 HydrophobicContact CG1-CG2 3.78Å; I135-V155 HydrophobicContact CD1-CG1 3.57Å; I135-V155 HydrophobicContact CG1-CG1 3.87Å; I135-V155 HydrophobicContact CG2-CB 4.43Å; I135-V155 HydrophobicContact CG2-CG1 3.83Å; W139-V155 HydrophobicContact CZ2-CG2 4.01Å
156H97.8Very high91.6Very high69 Ų6954.9 Ų54.932%0.31931%0.314SS..EExtended strand (participates in β ladder)trans-123.8137.1179.3-58.8-76.8000110.6I91 V92 A93 S154 V158 F223I91-H156 PolarHBondContact O-N 3.41Å; V92-H156 CarbonylContact C-O 3.45Å; V92-H156 WeakPolarHBondContact CA-O 3.44Å; V92-H156 HydrophobicContact CG1-CB 4.29Å; V92-H156 HydrophobicContact CG2-CB 4.32Å; A93-H156 PolarHBondContact N-O 3.49Å; S154-H156 WeakPolarHBondContact CB-NE2 3.44Å; S154-H156 PolarHBondContact OG-CD2 3.28Å; S154-H156 PolarHBondContact OG-NE2 2.89Å; H156-V158 HydrophobicContact CB-CG1 4.3Å; H156-F223 HydrophobicContact CB-CE1 4.4Å
157V98Very high91.8Very high39 Ų3957.7 Ų57.724%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-110.9123.9163.3-176.30000106.5A93 V95 E128 L131 D132 I135A93-V157 HydrophobicContact CB-CG2 4.38Å; A93-V157 WeakPolarHBondContact O-CA 3.5Å; V95-V157 HydrophobicContact CG2-CG1 4.4Å; E128-V157 HydrophobicContact CB-CG1 4.48Å; E128-V157 HydrophobicContact CG-CG1 4.35Å; L131-V157 HydrophobicContact CB-CG1 4.32Å; L131-V157 HydrophobicContact CB-CG2 4.18Å; L131-V157 HydrophobicContact CD1-CG1 4.18Å; D132-V157 WeakPolarHBondContact OD1-CG2 3.47Å; I135-V157 HydrophobicContact CD1-CG2 3.34Å
158V98.1Very high92.1Very high22 Ų2260.6 Ų60.613%0.13333%0.33CS..EExtended strand (participates in β ladder)trans-135.9159.1-176.1-58.70000110.1V92 A93 V94 V95 H156 W163 F223V92-V158 HydrophobicContact CG1-CG1 4.27Å; V92-V158 HydrophobicContact CG1-CG2 3.49Å; V92-V158 VanDerWaalsContact CG1-CG2 3.49Å; A93-V158 PolarHBondContact O-N 3.25Å; V94-V158 CarbonylContact C-O 3.49Å; V94-V158 WeakPolarHBondContact CA-O 3.36Å; V94-V158 HydrophobicContact CB-CG2 4.37Å; V94-V158 HydrophobicContact CG1-CG2 4.48Å; V94-V158 HydrophobicContact CG2-CG2 3.84Å; V95-V158 PolarHBondContact N-O 2.74Å; H156-V158 HydrophobicContact CB-CG1 4.3Å; V158-W163 HydrophobicContact CB-CZ3 4.25Å; V158-W163 HydrophobicContact CG2-CH2 3.86Å; V158-W163 HydrophobicContact CG2-CZ3 4.02Å; V158-F223 HydrophobicContact CG1-CE1 4.32Å; V158-F223 HydrophobicContact CG1-CZ 3.89Å
159N98.1Very high92.5Very high10 Ų1063.5 Ų63.55%0.05335%0.35CS..EExtended strand (participates in β ladder)trans-116.2129.7177.1-163.8-36.4000110.8V95 G97 E128 S161 D162 W163V95-N159 HydrophobicContact CB-CB 4.49Å; V95-N159 WeakPolarHBondContact O-CA 3.44Å; V95-N159 PolarHBondContact O-OD1 2.89Å; V95-N159 VanDerWaalsContact O-OD1 3.12Å; G97-N159 WeakPolarHBondContact CA-OD1 3.36Å; G97-N159 PolarHBondContact N-OD1 3.34Å; G97-N159 VanDerWaalsContact N-OD1 3.17Å; E128-N159 WeakPolarHBondContact OE1-CB 3.25Å; E128-N159 PolarHBondContact OE1-ND2 2.84Å; N159-S161 PolarHBondContact O-N 3.38Å; N159-S161 VanDerWaalsContact O-N 3.14Å; N159-S161 PolarHBondContact OD1-N 2.82Å; N159-S161 PolarHBondContact OD1-OG 2.74Å; N159-D162 VanDerWaalsContact O-CB 3.25Å; N159-D162 WeakPolarHBondContact O-CB 3.46Å; N159-D162 PolarHBondContact O-N 2.94Å; N159-W163 WeakPolarHBondContact O-CZ3 3.34Å
160N97.7Very high93.5Very high0 Ų065.4 Ų65.40%035%0.351CS..THydrogen-bonded Turntrans-68-11.8179.271.27.3000114.1V94 V95 G96 G97 S98 T99 D162 W163 L164 D215V94-N160 HydrophobicContact CG1-CB 4.04Å; V95-N160 PolarHBondContact O-N 2.49Å; V95-N160 PolarHBondContact O-OD1 2.92Å; G96-N160 VanDerWaalsContact C-OD1 3.23Å; G97-N160 PolarHBondContact N-OD1 3.4Å; S98-N160 PolarHBondContact N-OD1 3.32Å; T99-N160 VanDerWaalsContact CG2-ND2 3.3Å; T99-N160 WeakPolarHBondContact CG2-ND2 3.26Å; T99-N160 PolarHBondContact OG1-ND2 3.31Å; N160-D162 PolarHBondContact O-N 3.4Å; N160-W163 VanDerWaalsContact CA-CH2 3.45Å; N160-W163 HydrophobicContact CB-CD2 4.38Å; N160-W163 HydrophobicContact CB-CH2 3.77Å; N160-W163 HydrophobicContact CB-CZ2 3.23Å; N160-W163 HydrophobicContact CB-CZ3 4.49Å; N160-W163 PolarHBondContact O-N 3.29Å; N160-L164 HydrophobicContact CB-CD1 3.97Å; N160-L164 HydrophobicContact CB-CG 4.45Å; N160-L164 VanDerWaalsContact O-CB 3.26Å; N160-L164 WeakPolarHBondContact O-CB 3.34Å; N160-L164 WeakPolarHBondContact O-CG 3.28Å; N160-L164 PolarHBondContact O-N 3.13Å; N160-D215 WeakPolarHBondContact CB-OD1 3.42Å; N160-D215 PolarHBondContact ND2-OD2 3.38Å
161S96.4Very high93.9Very high31 Ų3167 Ų6722%0.21735%0.347CS..Hα-helixtrans-56.4-31.416558.90000113S98 N159 W163 T165S98-S161 WeakPolarHBondContact OG-CA 3.3Å; N159-S161 PolarHBondContact O-N 3.38Å; N159-S161 VanDerWaalsContact O-N 3.14Å; N159-S161 PolarHBondContact OD1-N 2.82Å; N159-S161 PolarHBondContact OD1-OG 2.74Å; S161-W163 PolarHBondContact O-N 2.81Å; S161-T165 WeakPolarHBondContact O-CB 3.31Å; S161-T165 VanDerWaalsContact O-CG2 3.31Å; S161-T165 WeakPolarHBondContact O-CG2 3.38Å; S161-T165 PolarHBondContact O-N 2.82Å; S161-T165 PolarHBondContact O-OG1 3.04Å
162D96.1Very high93.9Very high99 Ų9959.3 Ų59.353%0.52932%0.315SS..Hα-helixtrans-65.8-21.9-174.4-59.2-16.3000112.9N159 N160 H166N159-D162 VanDerWaalsContact O-CB 3.25Å; N159-D162 WeakPolarHBondContact O-CB 3.46Å; N159-D162 PolarHBondContact O-N 2.94Å; N160-D162 PolarHBondContact O-N 3.4Å; D162-H166 PolarHBondContact O-CD2 3.46Å; D162-H166 VanDerWaalsContact O-CD2 3.31Å
163W95.2Very high93.8Very high14 Ų1459.7 Ų59.75%0.05332%0.321CS..Hα-helixtrans-122.2-30.7177.160.585.5000114V94 V158 N159 N160 S161 K167 D215 Y218 L219V94-W163 HydrophobicContact CG1-CH2 3.93Å; V94-W163 HydrophobicContact CG1-CZ2 4.16Å; V158-W163 HydrophobicContact CB-CZ3 4.25Å; V158-W163 HydrophobicContact CG2-CH2 3.86Å; V158-W163 HydrophobicContact CG2-CZ3 4.02Å; N159-W163 WeakPolarHBondContact O-CZ3 3.34Å; N160-W163 VanDerWaalsContact CA-CH2 3.45Å; N160-W163 HydrophobicContact CB-CD2 4.38Å; N160-W163 HydrophobicContact CB-CH2 3.77Å; N160-W163 HydrophobicContact CB-CZ2 3.23Å; N160-W163 HydrophobicContact CB-CZ3 4.49Å; N160-W163 PolarHBondContact O-N 3.29Å; S161-W163 PolarHBondContact O-N 2.81Å; W163-K167 WeakPolarHBondContact O-CG 3.46Å; W163-D215 HydrophobicContact CZ2-CB 4.3Å; W163-D215 PolarHBondContact NE1-OD1 3Å; W163-Y218 HydrophobicContact CB-CD1 4.44Å; W163-Y218 HydrophobicContact CB-CD2 3.89Å; W163-Y218 HydrophobicContact CB-CE1 4.22Å; W163-Y218 HydrophobicContact CB-CE2 3.6Å; W163-Y218 HydrophobicContact CB-CG 4.29Å; W163-Y218 AromaticContact CD1-CG 3.9Å; W163-Y218 AromaticContact CD2-CD1 3.51Å; W163-Y218 HydrophobicContact CD2-CD1 3.51Å; W163-Y218 HydrophobicContact CD2-CD2 4.47Å; W163-Y218 AromaticContact CD2-CE1 3.56Å; W163-Y218 HydrophobicContact CD2-CE1 3.56Å; W163-Y218 HydrophobicContact CD2-CE2 4.49Å; W163-Y218 HydrophobicContact CD2-CG 4Å; W163-Y218 AromaticContact CE2-CD1 3.71Å; W163-Y218 AromaticContact CE3-CD1 3.82Å; W163-Y218 HydrophobicContact CE3-CD1 3.82Å; W163-Y218 AromaticContact CE3-CE1 3.42Å; W163-Y218 HydrophobicContact CE3-CE1 3.42Å; W163-Y218 VanDerWaalsContact CE3-CE1 3.42Å; W163-Y218 AromaticContact CE3-CZ 4Å; W163-Y218 AromaticContact CG-CD1 3.82Å; W163-Y218 HydrophobicContact CG-CD1 3.82Å; W163-Y218 AromaticContact CG-CD2 3.91Å; W163-Y218 HydrophobicContact CG-CD2 3.91Å; W163-Y218 AromaticContact CG-CE1 3.94Å; W163-Y218 HydrophobicContact CG-CE1 3.94Å; W163-Y218 HydrophobicContact CG-CE2 4Å; W163-Y218 AromaticContact CG-CG 3.81Å; W163-Y218 HydrophobicContact CG-CG 3.81Å; W163-Y218 HydrophobicContact CH2-CD1 4.42Å; W163-Y218 HydrophobicContact CZ2-CD1 4.16Å; W163-Y218 HydrophobicContact CZ3-CD1 4.27Å; W163-Y218 AromaticContact CZ3-CE1 3.97Å; W163-Y218 HydrophobicContact CZ3-CE1 3.97Å; W163-L219 HydrophobicContact CH2-CD2 4.32Å
164L94.6Very high93.9Very high25 Ų2563.6 Ų63.613%0.13135%0.345CS..Hα-helixtrans-75.9-35.1-178.4-68.7177.2000112.6T99 N160 H166 K167 V211 I214 D215T99-L164 HydrophobicContact CG2-CD1 4.5Å; N160-L164 HydrophobicContact CB-CD1 3.97Å; N160-L164 HydrophobicContact CB-CG 4.45Å; N160-L164 VanDerWaalsContact O-CB 3.26Å; N160-L164 WeakPolarHBondContact O-CB 3.34Å; N160-L164 WeakPolarHBondContact O-CG 3.28Å; N160-L164 PolarHBondContact O-N 3.13Å; L164-H166 PolarHBondContact O-N 3.41Å; L164-K167 HydrophobicContact CD2-CD 4.38Å; L164-K167 PolarHBondContact O-N 3.14Å; L164-V211 HydrophobicContact CD1-CG1 3.6Å; L164-V211 HydrophobicContact CD2-CG1 4.33Å; L164-I214 HydrophobicContact CD2-CB 4.27Å; L164-I214 HydrophobicContact CD2-CG2 3.7Å; L164-D215 WeakPolarHBondContact CD1-OD1 3.13Å
165T90.3Very high93.7Very high87 Ų8764.8 Ų64.853%0.53435%0.345SS..THydrogen-bonded Turntrans-68.8-20.7-177.662.70000113.4S161S161-T165 WeakPolarHBondContact O-CB 3.31Å; S161-T165 VanDerWaalsContact O-CG2 3.31Å; S161-T165 WeakPolarHBondContact O-CG2 3.38Å; S161-T165 PolarHBondContact O-N 2.82Å; S161-T165 PolarHBondContact O-OG1 3.04Å
166H88Confident93.5Very high151 Ų15163.2 Ų63.270%0.69934%0.336SS*.THydrogen-bonded Turntrans-97.1-8.4-179.3-56.4-46.9000113.7D162 L164D162-H166 PolarHBondContact O-CD2 3.46Å; D162-H166 VanDerWaalsContact O-CD2 3.31Å; L164-H166 PolarHBondContact O-N 3.41Å
167K89.7Confident93.4Very high74 Ų7462.8 Ų62.832%0.32234%0.336SS..  trans-77.2127.5178.8-82.4179.4-179.1-68.60110.5W163 L164 V172 I214W163-K167 WeakPolarHBondContact O-CG 3.46Å; L164-K167 HydrophobicContact CD2-CD 4.38Å; L164-K167 PolarHBondContact O-N 3.14Å; K167-V172 HydrophobicContact CB-CG2 3.87Å; K167-V172 HydrophobicContact CD-CG2 4.02Å; K167-V172 HydrophobicContact CG-CG2 4.39Å; K167-I214 HydrophobicContact CD-CG2 4.16Å
168K92Very high93.3Very high146 Ų14664.7 Ų64.764%0.63535%0.349SS*.  trans-74.7140.9172.9-55.6177.4-178.5172.90109.4M170 D171 V172K168-M170 PolarHBondContact O-N 3.33Å; K168-D171 HydrophobicContact CB-CB 4.36Å; K168-D171 WeakPolarHBondContact CB-OD2 3.3Å; K168-D171 WeakPolarHBondContact O-CB 3.49Å; K168-D171 PolarHBondContact O-N 3.36Å; K168-V172 PolarHBondContact O-N 3.46Å; K168-V172 VanDerWaalsContact O-N 3.12Å
169V90Very high93.2Very high114 Ų11465.8 Ų65.869%0.69135%0.353SS*.Hα-helixtrans-54.9-40.4178.9176.80000111.5V172 S173V169-V172 PolarHBondContact O-N 3.31Å; V169-S173 VanDerWaalsContact O-CB 3.3Å; V169-S173 WeakPolarHBondContact O-CB 3.34Å; V169-S173 PolarHBondContact O-N 2.73Å; V169-S173 PolarHBondContact O-OG 3.47Å
170M92.8Very high93.1Very high129 Ų12966.5 Ų66.564%0.63536%0.355SS*.Hα-helixtrans-67.4-37.1178.8-66.8-52-58.400112.7K168 S173 C174K168-M170 PolarHBondContact O-N 3.33Å; M170-S173 PolarHBondContact O-N 2.78Å; M170-C174 PolarHBondContact O-N 3.22Å; M170-C174 PolarHBondContact O-SG 2.87Å
171D90.6Very high92.9Very high86 Ų8671.7 Ų71.746%0.4638%0.378SS..Hα-helixtrans-64.6-47.9177.7-59.9-20.8000109.7K168 S173 C174 E175K168-D171 HydrophobicContact CB-CB 4.36Å; K168-D171 WeakPolarHBondContact CB-OD2 3.3Å; K168-D171 WeakPolarHBondContact O-CB 3.49Å; K168-D171 PolarHBondContact O-N 3.36Å; D171-S173 VanDerWaalsContact C-N 3.3Å; D171-S173 PolarHBondContact O-N 3.3Å; D171-C174 PolarHBondContact O-N 2.94Å; D171-E175 WeakPolarHBondContact O-CB 3Å; D171-E175 PolarHBondContact O-N 3.02Å
172V88.1Confident92.8Very high27 Ų2775.7 Ų75.716%0.16440%0.396CS..Hα-helixtrans-60.9-40.8174.61770000111.3K167 K168 V169 C174 E175 V176 L177 I214K167-V172 HydrophobicContact CB-CG2 3.87Å; K167-V172 HydrophobicContact CD-CG2 4.02Å; K167-V172 HydrophobicContact CG-CG2 4.39Å; K168-V172 PolarHBondContact O-N 3.46Å; K168-V172 VanDerWaalsContact O-N 3.12Å; V169-V172 PolarHBondContact O-N 3.31Å; V172-C174 PolarHBondContact O-N 2.85Å; V172-E175 PolarHBondContact O-N 3.37Å; V172-V176 HydrophobicContact CG1-CB 4.16Å; V172-V176 HydrophobicContact CG1-CG2 4.39Å; V172-V176 VanDerWaalsContact O-CB 3.31Å; V172-V176 WeakPolarHBondContact O-CB 3.18Å; V172-V176 PolarHBondContact O-N 3.12Å; V172-L177 PolarHBondContact O-N 3.31Å; V172-I214 HydrophobicContact CG1-CD1 3.52Å; V172-I214 HydrophobicContact CG2-CD1 4.47Å
173S91.1Very high92.7Very high38 Ų3874.8 Ų74.827%0.26640%0.398SS..Hα-helixtrans-62.8-43.5-178.9-62.20000112.4V169 M170 D171 L177 P178V169-S173 VanDerWaalsContact O-CB 3.3Å; V169-S173 WeakPolarHBondContact O-CB 3.34Å; V169-S173 PolarHBondContact O-N 2.73Å; V169-S173 PolarHBondContact O-OG 3.47Å; M170-S173 PolarHBondContact O-N 2.78Å; D171-S173 VanDerWaalsContact C-N 3.3Å; D171-S173 PolarHBondContact O-N 3.3Å; S173-L177 WeakPolarHBondContact O-CB 3.46Å; S173-P178 WeakPolarHBondContact O-CD 3.22Å
174C92.9Very high92.7Very high96 Ų9677.6 Ų77.665%0.64941%0.411SS*.Hα-helixtrans-75.1-37.8177.7-680000112.3M170 D171 V172M170-C174 PolarHBondContact O-N 3.22Å; M170-C174 PolarHBondContact O-SG 2.87Å; D171-C174 PolarHBondContact O-N 2.94Å; V172-C174 PolarHBondContact O-N 2.85Å
175E92.6Very high92.7Very high69 Ų6977 Ų7732%0.32241%0.408SS..Hα-helixtrans-85.2-34.3-169.5-173.7-179.3-173.400113.9D171 V172 H179 K248D171-E175 WeakPolarHBondContact O-CB 3Å; D171-E175 PolarHBondContact O-N 3.02Å; V172-E175 PolarHBondContact O-N 3.37Å; E175-H179 PolarHBondContact O-CD2 3.18Å; E175-H179 PolarHBondContact O-NE2 3.37Å; E175-K248 WeakPolarHBondContact OE1-CE 3.34Å; E175-K248 IonicContact OE1-NZ 2.76Å; E175-K248 PolarHBondContact OE1-NZ 3.41Å
176V94.5Very high92.8Very high2 Ų276.1 Ų76.11%0.01240%0.4CS..THydrogen-bonded Turntrans-116.8-47.8-164.4175.60000111.7V172 P178 H179 F180 I210 I214 L244V172-V176 HydrophobicContact CG1-CB 4.16Å; V172-V176 HydrophobicContact CG1-CG2 4.39Å; V172-V176 VanDerWaalsContact O-CB 3.31Å; V172-V176 WeakPolarHBondContact O-CB 3.18Å; V172-V176 PolarHBondContact O-N 3.12Å; V176-P178 VanDerWaalsContact C-CD 3.41Å; V176-H179 WeakPolarHBondContact O-CB 3.42Å; V176-H179 PolarHBondContact O-N 3.21Å; V176-H179 VanDerWaalsContact O-N 3.11Å; V176-F180 HydrophobicContact CG1-CD2 4.31Å; V176-F180 HydrophobicContact CG1-CE2 3.58Å; V176-F180 WeakPolarHBondContact O-CD2 3.24Å; V176-I210 HydrophobicContact CG1-CG2 4.15Å; V176-I214 HydrophobicContact CB-CG1 4.48Å; V176-I214 HydrophobicContact CG1-CD1 4.14Å; V176-I214 HydrophobicContact CG1-CG1 3.8Å; V176-I214 HydrophobicContact CG2-CD1 4.43Å; V176-I214 HydrophobicContact CG2-CG1 4.11Å; V176-L244 HydrophobicContact CG1-CD1 4.09Å; V176-L244 HydrophobicContact CG1-CD2 3.94Å
177L94.2Very high93Very high60 Ų6074.7 Ų74.731%0.31439%0.394SS..G310 helixtrans-58.2-36-173-60.9-177.4000115.2V172 S173 H179 F180 F207 I210V172-L177 PolarHBondContact O-N 3.31Å; S173-L177 WeakPolarHBondContact O-CB 3.46Å; L177-H179 PolarHBondContact O-N 3.41Å; L177-F180 PolarHBondContact O-N 3.14Å; L177-F207 HydrophobicContact CD2-CE1 4.45Å; L177-I210 HydrophobicContact CD2-CD1 4.28Å; L177-I210 HydrophobicContact CD2-CG2 4.11Å
178P95.9Very high93.1Very high79 Ų7972.4 Ų72.451%0.51338%0.384SS..G310 helixtrans-60-20.3178.2-26.236.4000114.4S173 V176 F180S173-P178 WeakPolarHBondContact O-CD 3.22Å; V176-P178 VanDerWaalsContact C-CD 3.41Å; P178-F180 VanDerWaalsContact C-N 3.32Å
179H96.7Very high93Very high45 Ų4571.1 Ų71.121%0.20838%0.38CS..G310 helixtrans-82.6-5.7178.8-59-65.9000113.7E175 V176 L177 L244 R247E175-H179 PolarHBondContact O-CD2 3.18Å; E175-H179 PolarHBondContact O-NE2 3.37Å; V176-H179 WeakPolarHBondContact O-CB 3.42Å; V176-H179 PolarHBondContact O-N 3.21Å; V176-H179 VanDerWaalsContact O-N 3.11Å; L177-H179 PolarHBondContact O-N 3.41Å; H179-L244 HydrophobicContact CB-CD1 3.73Å; H179-R247 HydrophobicContact CB-CB 4.09Å; H179-R247 WeakPolarHBondContact O-CD 3.42Å; H179-R247 PolarHBondContact O-NH1 3.03Å
180F96.3Very high92.9Very high24 Ų2466.1 Ų66.111%0.10535%0.35CS..  trans-106140.5177.2-66.2-88.3000111V176 L177 P178 L185 I210 A213 C240 L244V176-F180 HydrophobicContact CG1-CD2 4.31Å; V176-F180 HydrophobicContact CG1-CE2 3.58Å; V176-F180 WeakPolarHBondContact O-CD2 3.24Å; L177-F180 PolarHBondContact O-N 3.14Å; P178-F180 VanDerWaalsContact C-N 3.32Å; F180-L185 HydrophobicContact CB-CD1 4.22Å; F180-L185 HydrophobicContact CD1-CD2 4.18Å; F180-I210 HydrophobicContact CD1-CG1 3.88Å; F180-I210 HydrophobicContact CD2-CG1 4.16Å; F180-I210 HydrophobicContact CD2-CG2 4.36Å; F180-I210 HydrophobicContact CE1-CG1 3.95Å; F180-I210 HydrophobicContact CE2-CG1 4.24Å; F180-I210 HydrophobicContact CE2-CG2 3.99Å; F180-I210 HydrophobicContact CG-CD1 4.37Å; F180-I210 HydrophobicContact CG-CG1 3.99Å; F180-I210 HydrophobicContact CZ-CB 4.43Å; F180-I210 HydrophobicContact CZ-CG1 4.13Å; F180-I210 HydrophobicContact CZ-CG2 4.28Å; F180-A213 HydrophobicContact CE1-CB 4.33Å; F180-A213 HydrophobicContact CZ-CB 3.75Å; F180-C240 HydrophobicContact CE1-CB 4.1Å; F180-L244 HydrophobicContact CE2-CB 4.47Å; F180-L244 HydrophobicContact CE2-CD1 3.93Å; F180-L244 HydrophobicContact CE2-CD2 4.25Å; F180-L244 HydrophobicContact CE2-CG 4.44Å; F180-L244 HydrophobicContact CZ-CB 4.01Å; F180-L244 HydrophobicContact CZ-CD1 4.32Å; F180-L244 HydrophobicContact CZ-CD2 4.15Å; F180-L244 HydrophobicContact CZ-CG 4.38Å
181K94.2Very high92.8Very high109 Ų10960.2 Ų60.247%0.47432%0.321SS..  trans-105.3129.9172-55.9-55.6-179.8-167.40108.5S183 E184 L185K181-S183 VanDerWaalsContact C-N 3.25Å; K181-S183 PolarHBondContact O-N 3.1Å; K181-E184 HydrophobicContact CB-CB 4.25Å; K181-E184 HydrophobicContact CB-CG 3.88Å; K181-E184 HydrophobicContact CG-CG 4.5Å; K181-E184 PolarHBondContact O-N 3.38Å; K181-E184 VanDerWaalsContact O-N 3.1Å; K181-L185 PolarHBondContact O-N 2.9Å
182L94.1Very high92.9Very high115 Ų11559.3 Ų59.360%0.60231%0.313SS*.Hα-helixtrans-56.6-42.8179.817860.2000111.4E184 L185 L186 F206L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.32Å; L182-L185 PolarHBondContact O-N 3.31Å; L182-L185 VanDerWaalsContact O-N 3.14Å; L182-L186 HydrophobicContact CD1-CD1 4.24Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.34Å; L182-L186 WeakPolarHBondContact O-CG 3.19Å; L182-L186 PolarHBondContact O-N 3.02Å; L182-F206 HydrophobicContact CD1-CE1 4.17Å; L182-F206 HydrophobicContact CD1-CZ 3.79Å
183S94.4Very high92.9Very high80 Ų8060 Ų6056%0.55932%0.315SS*.Hα-helixtrans-55.9-45.2175.949.40000112.3K181 L185 L186 E187K181-S183 VanDerWaalsContact C-N 3.25Å; K181-S183 PolarHBondContact O-N 3.1Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 3.17Å; S183-L186 PolarHBondContact O-N 3.46Å; S183-E187 WeakPolarHBondContact O-CG 3.12Å; S183-E187 PolarHBondContact O-N 3.4Å; S183-E187 VanDerWaalsContact O-N 3.13Å
184E94.1Very high92.7Very high74 Ų7458.3 Ų58.335%0.34630%0.303SS..Hα-helixtrans-66-31.3178.5-65.9172.3177.300113.5K181 L182 R247K181-E184 HydrophobicContact CB-CB 4.25Å; K181-E184 HydrophobicContact CB-CG 3.88Å; K181-E184 HydrophobicContact CG-CG 4.5Å; K181-E184 PolarHBondContact O-N 3.38Å; K181-E184 VanDerWaalsContact O-N 3.1Å; L182-E184 VanDerWaalsContact C-N 3.33Å; L182-E184 PolarHBondContact O-N 3.32Å; E184-R247 IonicContact OE1-CZ 3.84Å; E184-R247 IonicContact OE1-NH1 2.62Å; E184-R247 IonicContact OE1-NH2 2.71Å; E184-R247 PolarHBondContact OE1-NH2 3.31Å; E184-R247 IonicContact OE2-CZ 3.67Å; E184-R247 VanDerWaalsContact OE2-CZ 3.28Å; E184-R247 IonicContact OE2-NH1 3.76Å; E184-R247 PolarHBondContact OE2-NH1 3.13Å; E184-R247 IonicContact OE2-NH2 2.91Å; E184-R247 PolarHBondContact OE2-NH2 3.27Å
185L94.3Very high92.4Very high12 Ų1259.5 Ų59.56%0.06330%0.301CS..Hα-helixtrans-74.8-39.9176.8-67.6174.3000111.5F180 K181 L182 S183 E187 K188 F206 I210F180-L185 HydrophobicContact CB-CD1 4.22Å; F180-L185 HydrophobicContact CD1-CD2 4.18Å; K181-L185 PolarHBondContact O-N 2.9Å; L182-L185 PolarHBondContact O-N 3.31Å; L182-L185 VanDerWaalsContact O-N 3.14Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 3.17Å; L185-E187 PolarHBondContact O-N 3.01Å; L185-K188 VanDerWaalsContact O-CB 3.3Å; L185-K188 WeakPolarHBondContact O-CB 3.38Å; L185-K188 WeakPolarHBondContact O-CG 3.18Å; L185-K188 PolarHBondContact O-N 3.25Å; L185-F206 HydrophobicContact CB-CE2 4.11Å; L185-F206 HydrophobicContact CB-CZ 3.72Å; L185-F206 HydrophobicContact CD1-CE1 4.31Å; L185-F206 HydrophobicContact CD1-CZ 4.18Å; L185-I210 HydrophobicContact CD1-CD1 3.77Å; L185-I210 HydrophobicContact CD1-CG1 4.36Å
186L93Very high92.2Very high68 Ų6863.6 Ų63.636%0.35632%0.32SS..Hα-helixtrans-64.6-29.4175.7-68.6172.9000112.3L182 S183 K188 V191 M195 F206L182-L186 HydrophobicContact CD1-CD1 4.24Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.98Å; L182-L186 HydrophobicContact CG-CG 4.34Å; L182-L186 WeakPolarHBondContact O-CG 3.19Å; L182-L186 PolarHBondContact O-N 3.02Å; S183-L186 PolarHBondContact O-N 3.46Å; L186-K188 PolarHBondContact O-N 3.24Å; L186-V191 HydrophobicContact CD2-CG1 4.43Å; L186-M195 HydrophobicContact CD2-CE 4.08Å; L186-F206 HydrophobicContact CD2-CE2 4.11Å; L186-F206 HydrophobicContact CD2-CZ 4.42Å
187E92.4Very high91.8Very high122 Ų12265.7 Ų65.757%0.5734%0.335SS*.THydrogen-bonded Turntrans-75.5-5.5177-71.3-56.9134.800114.4S183 L185 K192S183-E187 WeakPolarHBondContact O-CG 3.12Å; S183-E187 PolarHBondContact O-N 3.4Å; S183-E187 VanDerWaalsContact O-N 3.13Å; L185-E187 PolarHBondContact O-N 3.01Å; E187-K192 VanDerWaalsContact O-CE 3.24Å; E187-K192 WeakPolarHBondContact O-CE 3.44Å; E187-K192 PolarHBondContact O-NZ 3.4Å; E187-K192 WeakPolarHBondContact OE2-CE 3.44Å; E187-K192 IonicContact OE2-NZ 2.62Å; E187-K192 PolarHBondContact OE2-NZ 2.91Å
188K91.3Very high91.3Very high26 Ų2666 Ų6611%0.11335%0.353CS..SBendtrans-65.9137.8179.7-65.7-72.9172.7176.60110.8L185 L186 S190 V191 K192 G236 C240L185-K188 VanDerWaalsContact O-CB 3.3Å; L185-K188 WeakPolarHBondContact O-CB 3.38Å; L185-K188 WeakPolarHBondContact O-CG 3.18Å; L185-K188 PolarHBondContact O-N 3.25Å; L186-K188 PolarHBondContact O-N 3.24Å; K188-S190 PolarHBondContact O-N 3.13Å; K188-V191 HydrophobicContact CB-CG2 4.18Å; K188-V191 WeakPolarHBondContact O-CA 3.43Å; K188-V191 WeakPolarHBondContact O-CB 3.25Å; K188-V191 PolarHBondContact O-N 3.35Å; K188-K192 PolarHBondContact O-N 3.21Å; K188-G236 PolarHBondContact NZ-O 3.29Å; K188-C240 WeakPolarHBondContact CE-SG 3.33Å; K188-C240 PolarHBondContact NZ-SG 2.98Å
189E90.5Very high90.7Very high119 Ų11965.3 Ų65.356%0.55634%0.344SS*.Hα-helixtrans-55-38.3179.4-170.158.4-155.400113V191 K192 I193E189-V191 VanDerWaalsContact C-N 3.28Å; E189-V191 PolarHBondContact O-N 3.36Å; E189-K192 PolarHBondContact O-N 2.88Å; E189-I193 HydrophobicContact CG-CD1 3.76Å; E189-I193 HydrophobicContact CG-CG1 4.25Å; E189-I193 WeakPolarHBondContact O-CB 3.45Å; E189-I193 VanDerWaalsContact O-CG1 3.24Å; E189-I193 WeakPolarHBondContact O-CG1 3.34Å; E189-I193 PolarHBondContact O-N 3.33Å; E189-I193 WeakPolarHBondContact OE1-CG1 3.46Å
190S87.8Confident90.2Very high9 Ų969.1 Ų69.16%0.06337%0.371CS..Hα-helixtrans-61.3-35.5176.355.90000113.3K188 R194 M201K188-S190 PolarHBondContact O-N 3.13Å; S190-R194 PolarHBondContact O-N 3.13Å; S190-M201 WeakPolarHBondContact O-CE 3.31Å
191V90.7Very high89.8Confident5 Ų570 Ų703%0.0338%0.376CS..Hα-helixtrans-75.8-46.7177.2-179.30000109.8L186 K188 E189 R194 M195 M201 F206L186-V191 HydrophobicContact CD2-CG1 4.43Å; K188-V191 HydrophobicContact CB-CG2 4.18Å; K188-V191 WeakPolarHBondContact O-CA 3.43Å; K188-V191 WeakPolarHBondContact O-CB 3.25Å; K188-V191 PolarHBondContact O-N 3.35Å; E189-V191 VanDerWaalsContact C-N 3.28Å; E189-V191 PolarHBondContact O-N 3.36Å; V191-R194 PolarHBondContact O-N 2.8Å; V191-M195 HydrophobicContact CG1-CE 3.58Å; V191-M195 HydrophobicContact CG1-CG 4.38Å; V191-M195 HydrophobicContact CG1-SD 3.98Å; V191-M195 WeakPolarHBondContact O-CG 3.22Å; V191-M195 PolarHBondContact O-N 2.98Å; V191-M201 HydrophobicContact CG2-CE 4.22Å; V191-M201 HydrophobicContact CG2-SD 4.02Å; V191-F206 HydrophobicContact CG2-CD2 4.09Å; V191-F206 HydrophobicContact CG2-CE2 4.17Å
192K91.1Very high89.6Confident67 Ų6767.4 Ų67.429%0.29137%0.367SS..Hα-helixtrans-56.5-53.4177.1-69.4-178.4175.9173.20112.2E187 K188 E189 R194 M195 E196E187-K192 VanDerWaalsContact O-CE 3.24Å; E187-K192 WeakPolarHBondContact O-CE 3.44Å; E187-K192 PolarHBondContact O-NZ 3.4Å; E187-K192 WeakPolarHBondContact OE2-CE 3.44Å; E187-K192 IonicContact OE2-NZ 2.62Å; E187-K192 PolarHBondContact OE2-NZ 2.91Å; K188-K192 PolarHBondContact O-N 3.21Å; E189-K192 PolarHBondContact O-N 2.88Å; K192-R194 PolarHBondContact O-N 3.46Å; K192-M195 PolarHBondContact O-N 3.49Å; K192-M195 VanDerWaalsContact O-N 3.16Å; K192-E196 WeakPolarHBondContact O-CB 3.17Å; K192-E196 VanDerWaalsContact O-CG 3.32Å; K192-E196 WeakPolarHBondContact O-CG 3.44Å; K192-E196 PolarHBondContact O-N 2.99Å
193I88.7Confident89.5Confident41 Ų4167.8 Ų67.821%0.2137%0.369CS..Hα-helixtrans-54.4-41.7177.7-71.4170.7000111.2I109 E189 S197I109-I193 HydrophobicContact CG2-CG2 3.88Å; E189-I193 HydrophobicContact CG-CD1 3.76Å; E189-I193 HydrophobicContact CG-CG1 4.25Å; E189-I193 WeakPolarHBondContact O-CB 3.45Å; E189-I193 VanDerWaalsContact O-CG1 3.24Å; E189-I193 WeakPolarHBondContact O-CG1 3.34Å; E189-I193 PolarHBondContact O-N 3.33Å; E189-I193 WeakPolarHBondContact OE1-CG1 3.46Å; I193-S197 WeakPolarHBondContact O-CB 3.34Å; I193-S197 PolarHBondContact O-N 3.09Å; I193-S197 VanDerWaalsContact O-N 3.08Å; I193-S197 PolarHBondContact O-OG 3.18Å
194R87.2Confident89.3Confident2 Ų265 Ų651%0.00835%0.354CS..Hα-helixtrans-68.1-47.7-178.9-170.564.771.489.45.9111.1R108 I109 K110 S190 V191 K192 S197 N199 T200 M201 E205R108-R194 PolarHBondContact O-NE 3.09Å; I109-R194 WeakPolarHBondContact O-CD 3.33Å; I109-R194 PolarHBondContact O-NE 2.88Å; K110-R194 PolarHBondContact O-NH2 3.29Å; S190-R194 PolarHBondContact O-N 3.13Å; V191-R194 PolarHBondContact O-N 2.8Å; K192-R194 PolarHBondContact O-N 3.46Å; R194-S197 PolarHBondContact O-N 3.01Å; R194-S197 PolarHBondContact O-OG 2.9Å; R194-N199 HydrophobicContact CG-CB 4.43Å; R194-N199 PolarHBondContact O-N 3.08Å; R194-T200 PolarHBondContact NH1-O 3.48Å; R194-M201 HydrophobicContact CB-CE 3.75Å; R194-M201 HydrophobicContact CG-CB 4.01Å; R194-M201 HydrophobicContact CG-CE 4.05Å; R194-E205 IonicContact CZ-OE1 2.69Å; R194-E205 IonicContact CZ-OE2 2.86Å; R194-E205 IonicContact NH1-OE1 2.63Å; R194-E205 IonicContact NH1-OE2 2.6Å; R194-E205 PolarHBondContact NH1-OE2 3.06Å; R194-E205 IonicContact NH2-OE1 2.71Å; R194-E205 PolarHBondContact NH2-OE1 2.88Å; R194-E205 IonicContact NH2-OE2 3.51Å; R194-E205 PolarHBondContact NH2-OE2 3.15Å
195M86.1Confident89.2Confident121 Ų12161.6 Ų61.660%0.59634%0.338SS*.Hα-helixtrans-61.7-45.5178.1-69.9-177.1173.900112L186 V191 K192 S197 G198L186-M195 HydrophobicContact CD2-CE 4.08Å; V191-M195 HydrophobicContact CG1-CE 3.58Å; V191-M195 HydrophobicContact CG1-CG 4.38Å; V191-M195 HydrophobicContact CG1-SD 3.98Å; V191-M195 WeakPolarHBondContact O-CG 3.22Å; V191-M195 PolarHBondContact O-N 2.98Å; K192-M195 PolarHBondContact O-N 3.49Å; K192-M195 VanDerWaalsContact O-N 3.16Å; M195-S197 VanDerWaalsContact C-N 3.29Å; M195-S197 PolarHBondContact O-N 2.79Å; M195-G198 PolarHBondContact O-N 3.04Å; M195-G198 VanDerWaalsContact O-N 3.11Å
196E89.1Confident89.1Confident156 Ų15662.6 Ų62.673%0.72934%0.341SS*.Hα-helixtrans-64.2-32.8178.4-72.1173.1-177.500112.7K192 G198K192-E196 WeakPolarHBondContact O-CB 3.17Å; K192-E196 VanDerWaalsContact O-CG 3.32Å; K192-E196 WeakPolarHBondContact O-CG 3.44Å; K192-E196 PolarHBondContact O-N 2.99Å; E196-G198 PolarHBondContact O-N 3.29Å
197S86.5Confident89.2Confident46 Ų4663.2 Ų63.232%0.32234%0.341SS..THydrogen-bonded Turntrans-73.1-3.7176.374.10000114.4I109 I193 R194 M195 N199I109-S197 PolarHBondContact O-OG 3.12Å; I193-S197 WeakPolarHBondContact O-CB 3.34Å; I193-S197 PolarHBondContact O-N 3.09Å; I193-S197 VanDerWaalsContact O-N 3.08Å; I193-S197 PolarHBondContact O-OG 3.18Å; R194-S197 PolarHBondContact O-N 3.01Å; R194-S197 PolarHBondContact O-OG 2.9Å; M195-S197 VanDerWaalsContact C-N 3.29Å; M195-S197 PolarHBondContact O-N 2.79Å; S197-N199 PolarHBondContact O-N 2.95Å; S197-N199 PolarHBondContact O-ND2 2.87Å; S197-N199 PolarHBondContact OG-ND2 3.03Å
198G83Confident89.3Confident67 Ų6757.9 Ų57.969%0.69132%0.316SS*.THydrogen-bonded Turntrans715.9-17500000114.3M195 E196M195-G198 PolarHBondContact O-N 3.04Å; M195-G198 VanDerWaalsContact O-N 3.11Å; E196-G198 PolarHBondContact O-N 3.29Å
199N83.7Confident89.5Confident63 Ų6356.9 Ų56.934%0.33731%0.312SS..  trans-87.4150.5177.7-67.3-65.6000110.6I109 R194 S197I109-N199 WeakPolarHBondContact O-CB 3.35Å; I109-N199 PolarHBondContact O-ND2 2.85Å; R194-N199 HydrophobicContact CG-CB 4.43Å; R194-N199 PolarHBondContact O-N 3.08Å; S197-N199 PolarHBondContact O-N 2.95Å; S197-N199 PolarHBondContact O-ND2 2.87Å; S197-N199 PolarHBondContact OG-ND2 3.03Å
200T84.9Confident89.8Confident126 Ų12651.6 Ų51.677%0.77329%0.288SS*.  trans-78.6152.2174.556.50000111.2R194R194-T200 PolarHBondContact NH1-O 3.48Å
201M89.6Confident90.1Very high43 Ų4352.5 Ų52.521%0.21229%0.293CS..  trans-115.2125.1166.5-173.5171.8-76.200107.1P105 S190 V191 R194 E205 F206P105-M201 HydrophobicContact CB-CE 3.75Å; P105-M201 HydrophobicContact CG-CE 4.09Å; S190-M201 WeakPolarHBondContact O-CE 3.31Å; V191-M201 HydrophobicContact CG2-CE 4.22Å; V191-M201 HydrophobicContact CG2-SD 4.02Å; R194-M201 HydrophobicContact CB-CE 3.75Å; R194-M201 HydrophobicContact CG-CB 4.01Å; R194-M201 HydrophobicContact CG-CE 4.05Å; M201-E205 HydrophobicContact CG-CB 3.85Å; M201-F206 HydrophobicContact CG-CB 4.3Å; M201-F206 HydrophobicContact SD-CB 3.98Å; M201-F206 HydrophobicContact SD-CD2 4.12Å
202D89.4Confident90.5Very high53 Ų5352.9 Ų52.928%0.28329%0.294SS..  trans-78.5162.3170.767.270.8000111.2K111 G204 E205 F206K111-D202 VanDerWaalsContact CD-OD2 3.25Å; K111-D202 WeakPolarHBondContact CD-OD2 3.32Å; K111-D202 WeakPolarHBondContact CE-OD2 3.33Å; K111-D202 IonicContact NZ-OD2 2.78Å; K111-D202 PolarHBondContact NZ-OD2 2.74Å; D202-G204 PolarHBondContact O-N 3.43Å; D202-G204 VanDerWaalsContact OD1-CA 3.22Å; D202-G204 WeakPolarHBondContact OD1-CA 3.39Å; D202-G204 PolarHBondContact OD1-N 3.12Å; D202-E205 PolarHBondContact O-N 3.17Å; D202-E205 PolarHBondContact OD1-N 3.35Å; D202-F206 PolarHBondContact O-N 2.88Å
203L91.5Very high90.8Very high124 Ų12449.7 Ų49.765%0.64928%0.28SS*.Hα-helixtrans-61.6-30.2-178.9-70.7175.6000112.5F206 F207L203-F206 PolarHBondContact O-N 3.32Å; L203-F207 HydrophobicContact CB-CD2 4.24Å; L203-F207 HydrophobicContact CB-CE2 4.22Å; L203-F207 WeakPolarHBondContact O-CB 3.06Å; L203-F207 WeakPolarHBondContact O-CD2 3.14Å; L203-F207 PolarHBondContact O-N 3.43Å
204G90.4Very high91.2Very high22 Ų2248.1 Ų48.123%0.22727%0.272CS..Hα-helixtrans-64-49.3177.500000112.1D202 F206 F207 Y208D202-G204 PolarHBondContact O-N 3.43Å; D202-G204 VanDerWaalsContact OD1-CA 3.22Å; D202-G204 WeakPolarHBondContact OD1-CA 3.39Å; D202-G204 PolarHBondContact OD1-N 3.12Å; G204-F206 VanDerWaalsContact C-N 3.29Å; G204-F206 PolarHBondContact O-N 2.78Å; G204-F207 PolarHBondContact O-N 2.98Å; G204-Y208 PolarHBondContact O-N 3.43Å
205E91.4Very high91.7Very high2 Ų248.3 Ų48.31%0.00927%0.274CS..Hα-helixtrans-60.4-40.3172.6-72.5-171.2121.900111.1P105 K111 R194 M201 D202 F207 Y208P105-E205 HydrophobicContact CB-CB 4.34Å; P105-E205 HydrophobicContact CG-CB 4.38Å; K111-E205 WeakPolarHBondContact CA-OE1 3.4Å; R194-E205 IonicContact CZ-OE1 2.69Å; R194-E205 IonicContact CZ-OE2 2.86Å; R194-E205 IonicContact NH1-OE1 2.63Å; R194-E205 IonicContact NH1-OE2 2.6Å; R194-E205 PolarHBondContact NH1-OE2 3.06Å; R194-E205 IonicContact NH2-OE1 2.71Å; R194-E205 PolarHBondContact NH2-OE1 2.88Å; R194-E205 IonicContact NH2-OE2 3.51Å; R194-E205 PolarHBondContact NH2-OE2 3.15Å; M201-E205 HydrophobicContact CG-CB 3.85Å; D202-E205 PolarHBondContact O-N 3.17Å; D202-E205 PolarHBondContact OD1-N 3.35Å; E205-F207 VanDerWaalsContact C-N 3.34Å; E205-F207 PolarHBondContact O-N 2.97Å; E205-Y208 VanDerWaalsContact O-CB 3.25Å; E205-Y208 WeakPolarHBondContact O-CB 3.21Å; E205-Y208 PolarHBondContact O-N 2.82Å
206F93.7Very high92.3Very high33 Ų3342.6 Ų42.615%0.14525%0.245CC..Hα-helixtrans-64.2-35.4177.9-177.7-103.4000113L182 L185 L186 V191 M201 D202 L203 G204 Y208 P209L182-F206 HydrophobicContact CD1-CE1 4.17Å; L182-F206 HydrophobicContact CD1-CZ 3.79Å; L185-F206 HydrophobicContact CB-CE2 4.11Å; L185-F206 HydrophobicContact CB-CZ 3.72Å; L185-F206 HydrophobicContact CD1-CE1 4.31Å; L185-F206 HydrophobicContact CD1-CZ 4.18Å; L186-F206 HydrophobicContact CD2-CE2 4.11Å; L186-F206 HydrophobicContact CD2-CZ 4.42Å; V191-F206 HydrophobicContact CG2-CD2 4.09Å; V191-F206 HydrophobicContact CG2-CE2 4.17Å; M201-F206 HydrophobicContact CG-CB 4.3Å; M201-F206 HydrophobicContact SD-CB 3.98Å; M201-F206 HydrophobicContact SD-CD2 4.12Å; D202-F206 PolarHBondContact O-N 2.88Å; L203-F206 PolarHBondContact O-N 3.32Å; G204-F206 VanDerWaalsContact C-N 3.29Å; G204-F206 PolarHBondContact O-N 2.78Å; F206-Y208 VanDerWaalsContact C-N 3.34Å; F206-P209 VanDerWaalsContact O-CD 3.31Å; F206-P209 WeakPolarHBondContact O-CD 3.32Å
207F93.3Very high92.7Very high81 Ų8135.4 Ų35.436%0.35521%0.212SC..Hα-helixtrans-79.5-11.8176.9-80.3-65.1000113.6L177 L203 G204 E205 P209 I210 V211L177-F207 HydrophobicContact CD2-CE1 4.45Å; L203-F207 HydrophobicContact CB-CD2 4.24Å; L203-F207 HydrophobicContact CB-CE2 4.22Å; L203-F207 WeakPolarHBondContact O-CB 3.06Å; L203-F207 WeakPolarHBondContact O-CD2 3.14Å; L203-F207 PolarHBondContact O-N 3.43Å; G204-F207 PolarHBondContact O-N 2.98Å; E205-F207 VanDerWaalsContact C-N 3.34Å; E205-F207 PolarHBondContact O-N 2.97Å; F207-P209 VanDerWaalsContact C-CD 3.48Å; F207-I210 HydrophobicContact CD1-CD1 3.56Å; F207-I210 HydrophobicContact CE1-CD1 3.94Å; F207-I210 WeakPolarHBondContact O-CB 3.38Å; F207-I210 PolarHBondContact O-N 2.79Å; F207-V211 PolarHBondContact O-N 3.42Å; F207-V211 VanDerWaalsContact O-N 3.12Å
208Y95.1Very high93.2Very high10 Ų1036.3 Ų36.34%0.03921%0.209CC..Hα-helixtrans-50.3-48.1-178.4-176.7-81.8000113.8D64 T99 L102 G103 D104 G204 E205 F206 I210 V211 Q212D64-Y208 VanDerWaalsContact CG-OH 3.26Å; D64-Y208 PolarHBondContact OD1-OH 3.06Å; D64-Y208 VanDerWaalsContact OD1-OH 3.14Å; D64-Y208 WeakPolarHBondContact OD2-CE2 3.39Å; D64-Y208 PolarHBondContact OD2-OH 2.94Å; T99-Y208 HydrophobicContact CG2-CE2 4.36Å; T99-Y208 VanDerWaalsContact O-CE2 3.27Å; T99-Y208 WeakPolarHBondContact O-CE2 3.48Å; L102-Y208 HydrophobicContact CB-CD2 4.08Å; G103-Y208 VanDerWaalsContact C-CD2 3.47Å; D104-Y208 HydrophobicContact CB-CD1 3.88Å; D104-Y208 HydrophobicContact CB-CD2 4.17Å; D104-Y208 HydrophobicContact CB-CE1 3.41Å; D104-Y208 VanDerWaalsContact CB-CE1 3.41Å; D104-Y208 HydrophobicContact CB-CE2 3.72Å; D104-Y208 HydrophobicContact CB-CG 4.27Å; D104-Y208 VanDerWaalsContact CG-CE1 3.48Å; D104-Y208 VanDerWaalsContact N-CE2 3.3Å; G204-Y208 PolarHBondContact O-N 3.43Å; E205-Y208 VanDerWaalsContact O-CB 3.25Å; E205-Y208 WeakPolarHBondContact O-CB 3.21Å; E205-Y208 PolarHBondContact O-N 2.82Å; F206-Y208 VanDerWaalsContact C-N 3.34Å; Y208-I210 PolarHBondContact O-N 2.83Å; Y208-V211 PolarHBondContact O-N 2.91Å; Y208-V211 VanDerWaalsContact O-N 3.09Å; Y208-Q212 HydrophobicContact CE1-CB 4.38Å; Y208-Q212 PolarHBondContact O-N 2.89Å
209P95.8Very high93.9Very high5 Ų533.1 Ų33.13%0.03218%0.176CC..Hα-helixtrans-62.6-28.7179.8-20.933.6000113.5F206 F207 A213 N237 C240F206-P209 VanDerWaalsContact O-CD 3.31Å; F206-P209 WeakPolarHBondContact O-CD 3.32Å; F207-P209 VanDerWaalsContact C-CD 3.48Å; P209-A213 WeakPolarHBondContact O-CB 3.47Å; P209-A213 PolarHBondContact O-N 2.98Å; P209-A213 VanDerWaalsContact O-N 3.11Å; P209-N237 WeakPolarHBondContact CB-OD1 3.48Å; P209-N237 WeakPolarHBondContact CG-OD1 3.49Å; P209-C240 HydrophobicContact CB-CB 4.37Å
210I95.9Very high94.6Very high7 Ų730.3 Ų30.34%0.03616%0.161CC..Hα-helixtrans-71.4-44.4175.4-67.8163.6000109.5V176 L177 F180 L185 F207 Y208 A213 I214V176-I210 HydrophobicContact CG1-CG2 4.15Å; L177-I210 HydrophobicContact CD2-CD1 4.28Å; L177-I210 HydrophobicContact CD2-CG2 4.11Å; F180-I210 HydrophobicContact CD1-CG1 3.88Å; F180-I210 HydrophobicContact CD2-CG1 4.16Å; F180-I210 HydrophobicContact CD2-CG2 4.36Å; F180-I210 HydrophobicContact CE1-CG1 3.95Å; F180-I210 HydrophobicContact CE2-CG1 4.24Å; F180-I210 HydrophobicContact CE2-CG2 3.99Å; F180-I210 HydrophobicContact CG-CD1 4.37Å; F180-I210 HydrophobicContact CG-CG1 3.99Å; F180-I210 HydrophobicContact CZ-CB 4.43Å; F180-I210 HydrophobicContact CZ-CG1 4.13Å; F180-I210 HydrophobicContact CZ-CG2 4.28Å; L185-I210 HydrophobicContact CD1-CD1 3.77Å; L185-I210 HydrophobicContact CD1-CG1 4.36Å; F207-I210 HydrophobicContact CD1-CD1 3.56Å; F207-I210 HydrophobicContact CE1-CD1 3.94Å; F207-I210 WeakPolarHBondContact O-CB 3.38Å; F207-I210 PolarHBondContact O-N 2.79Å; Y208-I210 PolarHBondContact O-N 2.83Å; I210-A213 WeakPolarHBondContact O-CB 3.38Å; I210-A213 PolarHBondContact O-N 3.21Å; I210-A213 VanDerWaalsContact O-N 3.13Å; I210-I214 HydrophobicContact CG2-CD1 4.44Å; I210-I214 WeakPolarHBondContact O-CG1 3.36Å; I210-I214 PolarHBondContact O-N 3.41Å
211V95.7Very high95.2Very high29 Ų2929.3 Ų29.318%0.17615%0.147CC..Hα-helixtrans-64.8-42.4179.6-179.20000111.5T99 L102 L164 F207 Y208 A213 I214 D215T99-V211 HydrophobicContact CG2-CB 4.48Å; T99-V211 HydrophobicContact CG2-CG1 3.8Å; L102-V211 HydrophobicContact CD1-CB 4.04Å; L102-V211 HydrophobicContact CD1-CG1 4.28Å; L102-V211 HydrophobicContact CD1-CG2 3.61Å; L164-V211 HydrophobicContact CD1-CG1 3.6Å; L164-V211 HydrophobicContact CD2-CG1 4.33Å; F207-V211 PolarHBondContact O-N 3.42Å; F207-V211 VanDerWaalsContact O-N 3.12Å; Y208-V211 PolarHBondContact O-N 2.91Å; Y208-V211 VanDerWaalsContact O-N 3.09Å; V211-A213 VanDerWaalsContact C-N 3.28Å; V211-A213 PolarHBondContact O-N 3.33Å; V211-I214 WeakPolarHBondContact O-CB 3.48Å; V211-I214 PolarHBondContact O-N 3.46Å; V211-I214 VanDerWaalsContact O-N 3.12Å; V211-D215 PolarHBondContact O-N 2.7Å
212Q97.6Very high95.5Very high13 Ų1334.1 Ų34.16%0.06117%0.167CC..Hα-helixtrans-64.2-31.9172.8-175.4176-12.300112.6Y208 I214 D215 F216 N237Y208-Q212 HydrophobicContact CE1-CB 4.38Å; Y208-Q212 PolarHBondContact O-N 2.89Å; Q212-I214 VanDerWaalsContact C-N 3.34Å; Q212-D215 WeakPolarHBondContact O-CB 3.38Å; Q212-D215 PolarHBondContact O-N 3.43Å; Q212-F216 PolarHBondContact O-N 3.39Å; Q212-N237 PolarHBondContact OE1-ND2 2.69Å; Q212-N237 VanDerWaalsContact OE1-ND2 3.11Å
213A97.6Very high95.9Very high0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-66.7-35.4173.200000112.2F180 P209 I210 V211 D215 F216 L217 C240 L244F180-A213 HydrophobicContact CE1-CB 4.33Å; F180-A213 HydrophobicContact CZ-CB 3.75Å; P209-A213 WeakPolarHBondContact O-CB 3.47Å; P209-A213 PolarHBondContact O-N 2.98Å; P209-A213 VanDerWaalsContact O-N 3.11Å; I210-A213 WeakPolarHBondContact O-CB 3.38Å; I210-A213 PolarHBondContact O-N 3.21Å; I210-A213 VanDerWaalsContact O-N 3.13Å; V211-A213 VanDerWaalsContact C-N 3.28Å; V211-A213 PolarHBondContact O-N 3.33Å; A213-D215 VanDerWaalsContact C-N 3.3Å; A213-D215 PolarHBondContact O-N 3.24Å; A213-F216 PolarHBondContact O-N 3.16Å; A213-L217 PolarHBondContact O-N 3.4Å; A213-C240 HydrophobicContact CB-CB 4.2Å; A213-L244 HydrophobicContact CB-CB 4.25Å; A213-L244 HydrophobicContact CB-CD2 3.84Å
214I97.1Very high96.2Very high8 Ų831.4 Ų31.44%0.04115%0.151CC..Hα-helixtrans-62.2-38.8173.5-63.8167.8000110.6L164 K167 V172 V176 I210 V211 Q212 L217 Y218L164-I214 HydrophobicContact CD2-CB 4.27Å; L164-I214 HydrophobicContact CD2-CG2 3.7Å; K167-I214 HydrophobicContact CD-CG2 4.16Å; V172-I214 HydrophobicContact CG1-CD1 3.52Å; V172-I214 HydrophobicContact CG2-CD1 4.47Å; V176-I214 HydrophobicContact CB-CG1 4.48Å; V176-I214 HydrophobicContact CG1-CD1 4.14Å; V176-I214 HydrophobicContact CG1-CG1 3.8Å; V176-I214 HydrophobicContact CG2-CD1 4.43Å; V176-I214 HydrophobicContact CG2-CG1 4.11Å; I210-I214 HydrophobicContact CG2-CD1 4.44Å; I210-I214 WeakPolarHBondContact O-CG1 3.36Å; I210-I214 PolarHBondContact O-N 3.41Å; V211-I214 WeakPolarHBondContact O-CB 3.48Å; V211-I214 PolarHBondContact O-N 3.46Å; V211-I214 VanDerWaalsContact O-N 3.12Å; Q212-I214 VanDerWaalsContact C-N 3.34Å; I214-L217 PolarHBondContact O-N 2.77Å; I214-Y218 WeakPolarHBondContact O-CB 3.3Å; I214-Y218 PolarHBondContact O-N 2.93Å
215D97.8Very high96.6Very high6 Ų630.3 Ų30.33%0.03214%0.14CC..Hα-helixtrans-58.9-47.4173.1-69.8-18.6000111.1N160 W163 L164 V211 Q212 A213 L217 Y218 L219N160-D215 WeakPolarHBondContact CB-OD1 3.42Å; N160-D215 PolarHBondContact ND2-OD2 3.38Å; W163-D215 HydrophobicContact CZ2-CB 4.3Å; W163-D215 PolarHBondContact NE1-OD1 3Å; L164-D215 WeakPolarHBondContact CD1-OD1 3.13Å; V211-D215 PolarHBondContact O-N 2.7Å; Q212-D215 WeakPolarHBondContact O-CB 3.38Å; Q212-D215 PolarHBondContact O-N 3.43Å; A213-D215 VanDerWaalsContact C-N 3.3Å; A213-D215 PolarHBondContact O-N 3.24Å; D215-L217 VanDerWaalsContact C-N 3.33Å; D215-L217 PolarHBondContact O-N 3.41Å; D215-Y218 PolarHBondContact O-N 3.43Å; D215-L219 WeakPolarHBondContact O-CB 3.37Å; D215-L219 WeakPolarHBondContact O-CD1 3.45Å; D215-L219 WeakPolarHBondContact O-CG 3.37Å; D215-L219 PolarHBondContact O-N 3Å
216F98.4Very high96.9Very high0 Ų030.9 Ų30.90%014%0.142CC..Hα-helixtrans-61.4-44178.5-156.7167.7000111.2Y60 Q212 A213 Y218 L219 H220 Q228 L242 I245 A253Y60-F216 HydrophobicContact CD1-CD2 4.18Å; Y60-F216 HydrophobicContact CD1-CE2 4.27Å; Y60-F216 HydrophobicContact CE1-CB 4.08Å; Y60-F216 HydrophobicContact CE1-CD1 4.01Å; Y60-F216 AromaticContact CE1-CD2 3.47Å; Y60-F216 HydrophobicContact CE1-CD2 3.47Å; Y60-F216 VanDerWaalsContact CE1-CD2 3.47Å; Y60-F216 HydrophobicContact CE1-CE1 4.3Å; Y60-F216 AromaticContact CE1-CE2 3.84Å; Y60-F216 HydrophobicContact CE1-CE2 3.84Å; Y60-F216 AromaticContact CE1-CG 3.59Å; Y60-F216 HydrophobicContact CE1-CG 3.59Å; Y60-F216 HydrophobicContact CE1-CZ 4.24Å; Y60-F216 WeakPolarHBondContact OH-CB 3.44Å; Q212-F216 PolarHBondContact O-N 3.39Å; A213-F216 PolarHBondContact O-N 3.16Å; F216-Y218 PolarHBondContact O-N 2.93Å; F216-L219 PolarHBondContact O-N 3.49Å; F216-H220 VanDerWaalsContact O-CB 3.24Å; F216-H220 WeakPolarHBondContact O-CB 3.35Å; F216-H220 PolarHBondContact O-N 3.19Å; F216-Q228 HydrophobicContact CD1-CB 4.37Å; F216-Q228 HydrophobicContact CE1-CB 3.89Å; F216-Q228 HydrophobicContact CZ-CB 4.19Å; F216-L242 HydrophobicContact CD1-CD2 4.48Å; F216-L242 HydrophobicContact CE1-CD2 3.54Å; F216-L242 HydrophobicContact CE1-CG 4.36Å; F216-L242 HydrophobicContact CZ-CD2 4.08Å; F216-I245 HydrophobicContact CB-CD1 4.21Å; F216-I245 HydrophobicContact CD1-CD1 3.97Å; F216-I245 HydrophobicContact CD2-CD1 3.45Å; F216-I245 VanDerWaalsContact CD2-CD1 3.45Å; F216-I245 HydrophobicContact CE1-CD1 4.22Å; F216-I245 HydrophobicContact CE2-CD1 3.71Å; F216-I245 HydrophobicContact CG-CD1 3.58Å; F216-I245 HydrophobicContact CZ-CD1 4.09Å; F216-A253 HydrophobicContact CE1-CB 4.36Å; F216-A253 HydrophobicContact CE2-CB 4.36Å; F216-A253 HydrophobicContact CZ-CB 3.81Å
217L97.7Very high97.1Very high6 Ų629.3 Ų29.33%0.03114%0.135CC..Hα-helixtrans-59.6-47.1176.7177.166.6000111.9A213 I214 D215 L219 H220 E221 L244 I245 K248 L249A213-L217 PolarHBondContact O-N 3.4Å; I214-L217 PolarHBondContact O-N 2.77Å; D215-L217 VanDerWaalsContact C-N 3.33Å; D215-L217 PolarHBondContact O-N 3.41Å; L217-L219 PolarHBondContact O-N 3.38Å; L217-H220 WeakPolarHBondContact O-CB 3.22Å; L217-H220 PolarHBondContact O-N 3.06Å; L217-E221 WeakPolarHBondContact O-CG 3.23Å; L217-E221 PolarHBondContact O-N 2.85Å; L217-E221 VanDerWaalsContact O-N 3.07Å; L217-L244 HydrophobicContact CB-CD2 4.02Å; L217-L244 HydrophobicContact CD2-CD2 4.02Å; L217-L244 HydrophobicContact CD2-CG 4.34Å; L217-I245 HydrophobicContact CD1-CG1 4.5Å; L217-K248 HydrophobicContact CD1-CD 3.89Å; L217-K248 HydrophobicContact CD2-CD 3.48Å; L217-K248 VanDerWaalsContact CD2-CD 3.48Å; L217-K248 HydrophobicContact CG-CD 4.33Å; L217-L249 HydrophobicContact CD1-CD1 3.67Å; L217-L249 HydrophobicContact CD1-CG 4.06Å
218Y97.4Very high97.4Very high65 Ų6525.6 Ų25.626%0.25512%0.119SC..Hα-helixtrans-60.6-47.3177.9177.9-92.8000111.7W163 I214 D215 F216 H220 E221 K222 F223W163-Y218 HydrophobicContact CB-CD1 4.44Å; W163-Y218 HydrophobicContact CB-CD2 3.89Å; W163-Y218 HydrophobicContact CB-CE1 4.22Å; W163-Y218 HydrophobicContact CB-CE2 3.6Å; W163-Y218 HydrophobicContact CB-CG 4.29Å; W163-Y218 AromaticContact CD1-CG 3.9Å; W163-Y218 AromaticContact CD2-CD1 3.51Å; W163-Y218 HydrophobicContact CD2-CD1 3.51Å; W163-Y218 HydrophobicContact CD2-CD2 4.47Å; W163-Y218 AromaticContact CD2-CE1 3.56Å; W163-Y218 HydrophobicContact CD2-CE1 3.56Å; W163-Y218 HydrophobicContact CD2-CE2 4.49Å; W163-Y218 HydrophobicContact CD2-CG 4Å; W163-Y218 AromaticContact CE2-CD1 3.71Å; W163-Y218 AromaticContact CE3-CD1 3.82Å; W163-Y218 HydrophobicContact CE3-CD1 3.82Å; W163-Y218 AromaticContact CE3-CE1 3.42Å; W163-Y218 HydrophobicContact CE3-CE1 3.42Å; W163-Y218 VanDerWaalsContact CE3-CE1 3.42Å; W163-Y218 AromaticContact CE3-CZ 4Å; W163-Y218 AromaticContact CG-CD1 3.82Å; W163-Y218 HydrophobicContact CG-CD1 3.82Å; W163-Y218 AromaticContact CG-CD2 3.91Å; W163-Y218 HydrophobicContact CG-CD2 3.91Å; W163-Y218 AromaticContact CG-CE1 3.94Å; W163-Y218 HydrophobicContact CG-CE1 3.94Å; W163-Y218 HydrophobicContact CG-CE2 4Å; W163-Y218 AromaticContact CG-CG 3.81Å; W163-Y218 HydrophobicContact CG-CG 3.81Å; W163-Y218 HydrophobicContact CH2-CD1 4.42Å; W163-Y218 HydrophobicContact CZ2-CD1 4.16Å; W163-Y218 HydrophobicContact CZ3-CD1 4.27Å; W163-Y218 AromaticContact CZ3-CE1 3.97Å; W163-Y218 HydrophobicContact CZ3-CE1 3.97Å; I214-Y218 WeakPolarHBondContact O-CB 3.3Å; I214-Y218 PolarHBondContact O-N 2.93Å; D215-Y218 PolarHBondContact O-N 3.43Å; F216-Y218 PolarHBondContact O-N 2.93Å; Y218-H220 VanDerWaalsContact C-N 3.29Å; Y218-H220 PolarHBondContact O-N 3.09Å; Y218-E221 PolarHBondContact O-N 3.14Å; Y218-K222 HydrophobicContact CE1-CB 4.14Å; Y218-K222 HydrophobicContact CE1-CG 4.29Å; Y218-K222 VanDerWaalsContact O-CB 3.29Å; Y218-K222 WeakPolarHBondContact O-CB 3.44Å; Y218-K222 PolarHBondContact O-N 3.31Å; Y218-F223 HydrophobicContact CE1-CE2 4.19Å
219L98.4Very high97.5Very high0 Ų025.2 Ų25.20%012%0.118CC..Hα-helixtrans-65.7-34178.6-65.1166.4000111.7Y60 V92 V94 W163 D215 F216 L217 F223 N224 C225Y60-L219 HydrophobicContact CD1-CD1 3.97Å; Y60-L219 HydrophobicContact CD2-CD1 3.48Å; Y60-L219 VanDerWaalsContact CD2-CD1 3.48Å; Y60-L219 HydrophobicContact CE1-CD1 4.2Å; Y60-L219 HydrophobicContact CE2-CD1 3.75Å; Y60-L219 HydrophobicContact CG-CD1 3.56Å; V92-L219 HydrophobicContact CG1-CD2 4.03Å; V94-L219 HydrophobicContact CG2-CD1 3.68Å; V94-L219 HydrophobicContact CG2-CD2 4.3Å; W163-L219 HydrophobicContact CH2-CD2 4.32Å; D215-L219 WeakPolarHBondContact O-CB 3.37Å; D215-L219 WeakPolarHBondContact O-CD1 3.45Å; D215-L219 WeakPolarHBondContact O-CG 3.37Å; D215-L219 PolarHBondContact O-N 3Å; F216-L219 PolarHBondContact O-N 3.49Å; L217-L219 PolarHBondContact O-N 3.38Å; L219-F223 HydrophobicContact CD2-CD2 3.63Å; L219-F223 HydrophobicContact CD2-CE2 4.02Å; L219-F223 HydrophobicContact CD2-CG 4.28Å; L219-F223 CarbonylContact O-C 3.53Å; L219-F223 WeakPolarHBondContact O-CA 3.37Å; L219-F223 WeakPolarHBondContact O-CB 3.37Å; L219-F223 PolarHBondContact O-N 3.14Å; L219-N224 PolarHBondContact O-N 3.33Å; L219-C225 VanDerWaalsContact C-CB 3.49Å; L219-C225 HydrophobicContact CB-CB 3.76Å; L219-C225 WeakPolarHBondContact O-CB 3.14Å; L219-C225 PolarHBondContact O-N 3.36Å; L219-C225 VanDerWaalsContact O-N 3.14Å
220H98.1Very high97.5Very high3 Ų325.3 Ų25.31%0.01412%0.119CC..Hα-helixtrans-61.6-46174.6-177.483.3000111.5F216 L217 Y218 N224 C225 Y226 I245 L249 R251F216-H220 VanDerWaalsContact O-CB 3.24Å; F216-H220 WeakPolarHBondContact O-CB 3.35Å; F216-H220 PolarHBondContact O-N 3.19Å; L217-H220 WeakPolarHBondContact O-CB 3.22Å; L217-H220 PolarHBondContact O-N 3.06Å; Y218-H220 VanDerWaalsContact C-N 3.29Å; Y218-H220 PolarHBondContact O-N 3.09Å; H220-N224 WeakPolarHBondContact O-CA 3.18Å; H220-N224 PolarHBondContact O-N 3.2Å; H220-C225 VanDerWaalsContact CA-O 3.31Å; H220-C225 WeakPolarHBondContact CA-O 3.38Å; H220-C225 WeakPolarHBondContact CB-O 3.28Å; H220-C225 PolarHBondContact ND1-O 3.38Å; H220-Y226 AromaticContact CE1-CD1 3.83Å; H220-Y226 AromaticContact CE1-CE1 3.41Å; H220-Y226 VanDerWaalsContact CE1-CE1 3.41Å; H220-Y226 WeakPolarHBondContact CE1-CE1 3.29Å; H220-Y226 AromaticContact CE1-CE2 3.8Å; H220-Y226 AromaticContact CE1-CZ 3.4Å; H220-I245 HydrophobicContact CB-CD1 3.97Å; H220-I245 HydrophobicContact CB-CG1 4.42Å; H220-L249 VanDerWaalsContact CD2-CD1 3.47Å; H220-L249 WeakPolarHBondContact CD2-CD1 3.35Å; H220-R251 WeakPolarHBondContact NE2-CD 3.36Å; H220-R251 PolarHBondContact NE2-NH1 2.89Å; H220-R251 VanDerWaalsContact NE2-NH1 3.14Å
221E97Very high97.4Very high106 Ų10625.6 Ų25.650%0.49512%0.124SC..Hα-helixtrans-74.5-41.1-179.4-67.3177146.900112.6L217 Y218 L249L217-E221 WeakPolarHBondContact O-CG 3.23Å; L217-E221 PolarHBondContact O-N 2.85Å; L217-E221 VanDerWaalsContact O-N 3.07Å; Y218-E221 PolarHBondContact O-N 3.14Å; E221-L249 HydrophobicContact CG-CD1 4.28Å
222K97.2Very high97.1Very high144 Ų14428.6 Ų28.663%0.62614%0.136SC*.Hα-helixtrans-92.3-36-171.5-173.161.3177.9-179.20114.5Y218Y218-K222 HydrophobicContact CE1-CB 4.14Å; Y218-K222 HydrophobicContact CE1-CG 4.29Å; Y218-K222 VanDerWaalsContact O-CB 3.29Å; Y218-K222 WeakPolarHBondContact O-CB 3.44Å; Y218-K222 PolarHBondContact O-N 3.31Å
223F97.6Very high96.7Very high47 Ų4730.1 Ų30.121%0.20615%0.145CC..Hα-helixtrans-1127.4-174.9-69.6-96.2000112.8S58 V92 H156 V158 Y218 L219 C225S58-F223 VanDerWaalsContact CB-O 3.29Å; S58-F223 WeakPolarHBondContact CB-O 3.42Å; S58-F223 PolarHBondContact OG-O 3.38Å; V92-F223 HydrophobicContact CG2-CB 4.24Å; V92-F223 HydrophobicContact CG2-CD1 3.88Å; V92-F223 HydrophobicContact CG2-CG 4.18Å; H156-F223 HydrophobicContact CB-CE1 4.4Å; V158-F223 HydrophobicContact CG1-CE1 4.32Å; V158-F223 HydrophobicContact CG1-CZ 3.89Å; Y218-F223 HydrophobicContact CE1-CE2 4.19Å; L219-F223 HydrophobicContact CD2-CD2 3.63Å; L219-F223 HydrophobicContact CD2-CE2 4.02Å; L219-F223 HydrophobicContact CD2-CG 4.28Å; L219-F223 CarbonylContact O-C 3.53Å; L219-F223 WeakPolarHBondContact O-CA 3.37Å; L219-F223 WeakPolarHBondContact O-CB 3.37Å; L219-F223 PolarHBondContact O-N 3.14Å; F223-C225 PolarHBondContact O-N 2.67Å
224N97.4Very high96.6Very high72 Ų7231.4 Ų31.439%0.38515%0.151SC..  trans53.241.3-174.4-172.957.5000110.7N56 S58 L219 H220 Y226N56-N224 PolarHBondContact O-ND2 2.83Å; S58-N224 PolarHBondContact N-O 3.5Å; L219-N224 PolarHBondContact O-N 3.33Å; H220-N224 WeakPolarHBondContact O-CA 3.18Å; H220-N224 PolarHBondContact O-N 3.2Å; N224-Y226 WeakPolarHBondContact O-CD2 3.44Å; N224-Y226 VanDerWaalsContact OD1-CE2 3.29Å; N224-Y226 WeakPolarHBondContact OD1-CE2 3.38Å
225C98.2Very high96.4Very high0 Ų033 Ų330%016%0.159CC..EExtended strand (participates in β ladder)trans-85.6123.9-176.3-168.30000111.8S58 Y60 L219 H220 F223S58-C225 WeakPolarHBondContact O-CA 3.48Å; S58-C225 PolarHBondContact O-SG 3.13Å; Y60-C225 VanDerWaalsContact CD1-SG 3.53Å; L219-C225 VanDerWaalsContact C-CB 3.49Å; L219-C225 HydrophobicContact CB-CB 3.76Å; L219-C225 WeakPolarHBondContact O-CB 3.14Å; L219-C225 PolarHBondContact O-N 3.36Å; L219-C225 VanDerWaalsContact O-N 3.14Å; H220-C225 VanDerWaalsContact CA-O 3.31Å; H220-C225 WeakPolarHBondContact CA-O 3.38Å; H220-C225 WeakPolarHBondContact CB-O 3.28Å; H220-C225 PolarHBondContact ND1-O 3.38Å; F223-C225 PolarHBondContact O-N 2.67Å
226Y98Very high96.2Very high13 Ų1333.8 Ų33.85%0.05117%0.169CC..EExtended strand (participates in β ladder)trans-119.8-1.7-178-78.3-102.5000113F51 F57 S58 H220 N224 R252 A253 F254F51-Y226 AromaticContact CE1-CD1 3.79Å; F51-Y226 HydrophobicContact CE1-CD1 3.79Å; F51-Y226 HydrophobicContact CE1-CD2 4.36Å; F51-Y226 HydrophobicContact CE1-CE1 4.47Å; F51-Y226 AromaticContact CE1-CG 3.7Å; F51-Y226 HydrophobicContact CE1-CG 3.7Å; F51-Y226 AromaticContact CE2-CD1 3.98Å; F51-Y226 HydrophobicContact CE2-CD1 3.98Å; F51-Y226 HydrophobicContact CE2-CE1 4.05Å; F51-Y226 AromaticContact CZ-CD1 3.17Å; F51-Y226 HydrophobicContact CZ-CD1 3.17Å; F51-Y226 HydrophobicContact CZ-CD2 4.12Å; F51-Y226 AromaticContact CZ-CE1 3.48Å; F51-Y226 HydrophobicContact CZ-CE1 3.48Å; F51-Y226 VanDerWaalsContact CZ-CE1 3.48Å; F51-Y226 HydrophobicContact CZ-CE2 4.4Å; F51-Y226 AromaticContact CZ-CG 3.51Å; F51-Y226 HydrophobicContact CZ-CG 3.51Å; F57-Y226 HydrophobicContact CB-CD2 3.8Å; F57-Y226 HydrophobicContact CB-CG 4.28Å; S58-Y226 PolarHBondContact O-N 2.94Å; H220-Y226 AromaticContact CE1-CD1 3.83Å; H220-Y226 AromaticContact CE1-CE1 3.41Å; H220-Y226 VanDerWaalsContact CE1-CE1 3.41Å; H220-Y226 WeakPolarHBondContact CE1-CE1 3.29Å; H220-Y226 AromaticContact CE1-CE2 3.8Å; H220-Y226 AromaticContact CE1-CZ 3.4Å; N224-Y226 WeakPolarHBondContact O-CD2 3.44Å; N224-Y226 VanDerWaalsContact OD1-CE2 3.29Å; N224-Y226 WeakPolarHBondContact OD1-CE2 3.38Å; Y226-R252 WeakPolarHBondContact CD1-O 3.36Å; Y226-A253 CarbonylContact O-C 3.51Å; Y226-A253 WeakPolarHBondContact O-CA 3.46Å; Y226-A253 WeakPolarHBondContact O-CB 3.39Å; Y226-F254 PolarHBondContact O-N 3.18Å
227M98.1Very high96.1Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-143.8137.2-174.5-174.4176.4-84.300112.6I27 L48 F57 V59 Y60 F254 L256I27-M227 HydrophobicContact CD1-SD 4.04Å; I27-M227 HydrophobicContact CG2-CE 4.33Å; I27-M227 HydrophobicContact CG2-SD 4.18Å; L48-M227 HydrophobicContact CD1-CE 3.38Å; L48-M227 HydrophobicContact CD2-CE 3.96Å; L48-M227 HydrophobicContact CG-CE 4.32Å; F57-M227 HydrophobicContact CE2-CB 4.05Å; F57-M227 HydrophobicContact CE2-SD 4.42Å; V59-M227 CarbonylContact C-O 3.59Å; V59-M227 WeakPolarHBondContact CA-O 3.43Å; V59-M227 HydrophobicContact CB-CB 4.35Å; V59-M227 HydrophobicContact CG1-CB 3.96Å; V59-M227 HydrophobicContact CG1-CG 3.89Å; V59-M227 HydrophobicContact CG1-SD 4.18Å; V59-M227 HydrophobicContact CG2-CB 4.02Å; V59-M227 HydrophobicContact CG2-CG 4.45Å; V59-M227 HydrophobicContact CG2-SD 4.16Å; Y60-M227 WeakPolarHBondContact CD1-O 3Å; Y60-M227 PolarHBondContact N-O 3.39Å; M227-F254 CarbonylContact C-O 3.49Å; M227-F254 WeakPolarHBondContact CA-O 3.46Å; M227-F254 HydrophobicContact CE-CB 3.69Å; M227-F254 HydrophobicContact CE-CG 4.29Å; M227-F254 HydrophobicContact CG-CB 4.3Å; M227-L256 HydrophobicContact CE-CD1 4.09Å; M227-L256 HydrophobicContact CE-CG 4.07Å; M227-L256 HydrophobicContact CG-CD1 4.36Å; M227-L256 HydrophobicContact CG-CG 4.24Å; M227-L256 HydrophobicContact SD-CD1 3.31Å; M227-L256 WeakPolarHBondContact SD-CD1 3.43Å; M227-L256 HydrophobicContact SD-CG 3.66Å
228Q98.5Very high96.1Very high3 Ų333.6 Ų33.61%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-112.5129.8172.3-171.1175.6169.200110.6Y60 F216 I238 F254 G255 L256Y60-Q228 HydrophobicContact CD1-CB 3.9Å; Y60-Q228 HydrophobicContact CD1-CG 4Å; Y60-Q228 HydrophobicContact CD2-CG 4.5Å; Y60-Q228 HydrophobicContact CE1-CB 3.42Å; Y60-Q228 VanDerWaalsContact CE1-CB 3.42Å; Y60-Q228 HydrophobicContact CE1-CG 3.44Å; Y60-Q228 VanDerWaalsContact CE1-CG 3.44Å; Y60-Q228 HydrophobicContact CE2-CG 4Å; Y60-Q228 VanDerWaalsContact CZ-CG 3.46Å; Y60-Q228 CarbonylContact O-C 3.54Å; Y60-Q228 WeakPolarHBondContact O-CA 3.08Å; Y60-Q228 PolarHBondContact OH-NE2 3.35Å; Y60-Q228 PolarHBondContact OH-OE1 3.37Å; F216-Q228 HydrophobicContact CD1-CB 4.37Å; F216-Q228 HydrophobicContact CE1-CB 3.89Å; F216-Q228 HydrophobicContact CZ-CB 4.19Å; Q228-I238 HydrophobicContact CB-CG1 4.44Å; Q228-I238 HydrophobicContact CB-CG2 4.22Å; Q228-I238 HydrophobicContact CG-CG1 4.03Å; Q228-F254 PolarHBondContact N-O 3.14Å; Q228-G255 CarbonylContact O-C 3.55Å; Q228-G255 VanDerWaalsContact O-CA 3.32Å; Q228-G255 WeakPolarHBondContact O-CA 3.47Å; Q228-L256 PolarHBondContact O-N 2.84Å
229V98.1Very high96.1Very high2 Ų232.3 Ų32.31%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-98.9130.1168.71770000108.7F36 V59 Y60 A61 L256 V258F36-V229 HydrophobicContact CE1-CG1 4.4Å; F36-V229 HydrophobicContact CE1-CG2 4.39Å; V59-V229 HydrophobicContact CG1-CG2 3.62Å; Y60-V229 PolarHBondContact O-N 2.91Å; A61-V229 HydrophobicContact CB-CB 4.35Å; A61-V229 WeakPolarHBondContact CB-O 3.45Å; V229-L256 WeakPolarHBondContact CA-O 3.05Å; V229-L256 HydrophobicContact CG2-CB 4.2Å; V229-L256 HydrophobicContact CG2-CD1 4.42Å; V229-V258 HydrophobicContact CG1-CG1 4Å
230G96.4Very high96Very high7 Ų732.5 Ų32.57%0.07217%0.168CC..EExtended strand (participates in β ladder)trans-153.8168.9176.600000112.6L256 T257 V258G230-L256 PolarHBondContact N-O 3.46Å; G230-T257 CarbonylContact O-C 3.52Å; G230-T257 VanDerWaalsContact O-CA 3.24Å; G230-T257 WeakPolarHBondContact O-CA 3.27Å; G230-V258 WeakPolarHBondContact O-CG2 3.44Å; G230-V258 PolarHBondContact O-N 3.46Å
231G92.8Very high96Very high13 Ų1332.4 Ų32.413%0.13417%0.168CC..EExtended strand (participates in β ladder)trans-64.1160.9171.700000111.7D233 Q234 V258G231-D233 WeakPolarHBondContact CA-OD1 3.31Å; G231-D233 PolarHBondContact O-N 3.37Å; G231-D233 VanDerWaalsContact O-N 3.14Å; G231-Q234 VanDerWaalsContact O-CB 3.31Å; G231-Q234 WeakPolarHBondContact O-CB 3.24Å; G231-Q234 PolarHBondContact O-N 3.04Å; G231-V258 WeakPolarHBondContact CA-O 3.22Å
232H89.8Confident96Very high92 Ų9227.9 Ų27.943%0.42615%0.147SC..G310 helixtrans-57-26.3174-175.7-76.6000113.1E38 Q234 I235 V258 L260E38-H232 IonicContact OE1-CD2 3.55Å; H232-Q234 PolarHBondContact O-N 2.82Å; H232-I235 VanDerWaalsContact O-CD1 3.24Å; H232-I235 WeakPolarHBondContact O-CD1 3.2Å; H232-I235 VanDerWaalsContact O-CG1 3.25Å; H232-I235 WeakPolarHBondContact O-CG1 3.39Å; H232-V258 PolarHBondContact N-O 2.75Å; H232-V258 VanDerWaalsContact N-O 3.09Å; H232-L260 HydrophobicContact CB-CG 4.28Å
233D89.5Confident96Very high45 Ų4523.6 Ų23.624%0.24113%0.131CC..G310 helixtrans-69-13.9172.458.2-20000114.1S106 G231 L260 K268S106-D233 WeakPolarHBondContact CB-O 3.42Å; G231-D233 WeakPolarHBondContact CA-OD1 3.31Å; G231-D233 PolarHBondContact O-N 3.37Å; G231-D233 VanDerWaalsContact O-N 3.14Å; D233-L260 HydrophobicContact CB-CD1 4.29Å; D233-L260 HydrophobicContact CB-CD2 4.49Å; D233-K268 IonicContact OD2-NZ 3.46Å; D233-K268 PolarHBondContact OD2-NZ 3.05Å
234Q94.1Very high96Very high28 Ų2821.4 Ų21.413%0.13112%0.122CC..G310 helixtrans-92.9-0.4-179.7-63.9-60.6-48.200114.2D104 G231 H232 G236 N237 I238D104-Q234 PolarHBondContact OD2-NE2 3.16Å; G231-Q234 VanDerWaalsContact O-CB 3.31Å; G231-Q234 WeakPolarHBondContact O-CB 3.24Å; G231-Q234 PolarHBondContact O-N 3.04Å; H232-Q234 PolarHBondContact O-N 2.82Å; Q234-G236 PolarHBondContact O-N 3.01Å; Q234-G236 VanDerWaalsContact O-N 3.14Å; Q234-N237 PolarHBondContact O-N 3.19Å; Q234-N237 PolarHBondContact OE1-ND2 3.44Å; Q234-I238 HydrophobicContact CB-CD1 3.94Å; Q234-I238 HydrophobicContact CB-CG1 4.2Å; Q234-I238 WeakPolarHBondContact O-CG1 3.31Å; Q234-I238 PolarHBondContact O-N 2.63Å
235I94.3Very high96Very high40 Ų4018 Ų1821%0.20510%0.103CC..Hα-helixtrans-50.5-44.4-177.6-68.9164.4000111.7E38 L40 H232 N237 T239 T257E38-I235 WeakPolarHBondContact OE1-CD1 3.19Å; L40-I235 HydrophobicContact CD1-CB 4.35Å; L40-I235 HydrophobicContact CD1-CG1 4.28Å; L40-I235 HydrophobicContact CD1-CG2 4.05Å; L40-I235 HydrophobicContact CD2-CG2 4.08Å; H232-I235 VanDerWaalsContact O-CD1 3.24Å; H232-I235 WeakPolarHBondContact O-CD1 3.2Å; H232-I235 VanDerWaalsContact O-CG1 3.25Å; H232-I235 WeakPolarHBondContact O-CG1 3.39Å; I235-N237 PolarHBondContact O-N 3.3Å; I235-T239 VanDerWaalsContact O-CB 3.31Å; I235-T239 WeakPolarHBondContact O-CB 3.25Å; I235-T239 PolarHBondContact O-N 2.96Å; I235-T239 PolarHBondContact O-OG1 3.22Å; I235-T257 HydrophobicContact CD1-CG2 4.35Å; I235-T257 HydrophobicContact CG1-CG2 3.61Å
236G93.8Very high96Very high24 Ų2424.9 Ų24.925%0.24713%0.13CC..Hα-helixtrans-58.7-46.3179.700000112.7K188 Q234 C240K188-G236 PolarHBondContact NZ-O 3.29Å; Q234-G236 PolarHBondContact O-N 3.01Å; Q234-G236 VanDerWaalsContact O-N 3.14Å; G236-C240 PolarHBondContact O-N 2.97Å; G236-C240 PolarHBondContact O-SG 3.2Å; G236-C240 VanDerWaalsContact O-SG 3.41Å
237N96.4Very high96Very high1 Ų128.2 Ų28.21%0.00514%0.143CC..Hα-helixtrans-74.3-41.6-178.7-62.7-17.8000112D104 S106 P209 Q212 Q234 I235 T239 C240 G241D104-N237 PolarHBondContact OD1-ND2 3.11Å; S106-N237 PolarHBondContact OG-ND2 3.26Å; P209-N237 WeakPolarHBondContact CB-OD1 3.48Å; P209-N237 WeakPolarHBondContact CG-OD1 3.49Å; Q212-N237 PolarHBondContact OE1-ND2 2.69Å; Q212-N237 VanDerWaalsContact OE1-ND2 3.11Å; Q234-N237 PolarHBondContact O-N 3.19Å; Q234-N237 PolarHBondContact OE1-ND2 3.44Å; I235-N237 PolarHBondContact O-N 3.3Å; N237-T239 VanDerWaalsContact C-N 3.3Å; N237-T239 PolarHBondContact O-N 2.87Å; N237-C240 WeakPolarHBondContact O-CB 3.24Å; N237-C240 PolarHBondContact O-N 3.13Å; N237-C240 VanDerWaalsContact O-N 3.12Å; N237-G241 PolarHBondContact O-N 2.92Å
238I97.5Very high95.9Very high0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-57.3-48.2174.8-64.7164.8000109.7L40 Q228 Q234 C240 G241 L242 T257L40-I238 HydrophobicContact CD1-CB 3.98Å; L40-I238 HydrophobicContact CD1-CD1 4.34Å; L40-I238 HydrophobicContact CD1-CG2 3.75Å; Q228-I238 HydrophobicContact CB-CG1 4.44Å; Q228-I238 HydrophobicContact CB-CG2 4.22Å; Q228-I238 HydrophobicContact CG-CG1 4.03Å; Q234-I238 HydrophobicContact CB-CD1 3.94Å; Q234-I238 HydrophobicContact CB-CG1 4.2Å; Q234-I238 WeakPolarHBondContact O-CG1 3.31Å; Q234-I238 PolarHBondContact O-N 2.63Å; I238-C240 VanDerWaalsContact C-N 3.27Å; I238-C240 PolarHBondContact O-N 3.34Å; I238-G241 PolarHBondContact O-N 3.2Å; I238-L242 HydrophobicContact CG2-CD1 4.29Å; I238-L242 HydrophobicContact CG2-CG 4.33Å; I238-L242 WeakPolarHBondContact O-CG 3.32Å; I238-L242 PolarHBondContact O-N 2.92Å; I238-T257 HydrophobicContact CD1-CG2 4.46Å
239T96.5Very high95.8Very high39 Ų3933.2 Ų33.224%0.23917%0.166CC..Hα-helixtrans-60.4-35.2178.3-56.40000112.4I235 N237 L242 N243I235-T239 VanDerWaalsContact O-CB 3.31Å; I235-T239 WeakPolarHBondContact O-CB 3.25Å; I235-T239 PolarHBondContact O-N 2.96Å; I235-T239 PolarHBondContact O-OG1 3.22Å; N237-T239 VanDerWaalsContact C-N 3.3Å; N237-T239 PolarHBondContact O-N 2.87Å; T239-L242 PolarHBondContact O-N 3.14Å; T239-N243 WeakPolarHBondContact O-CB 3.38Å; T239-N243 VanDerWaalsContact O-CG 3.31Å; T239-N243 PolarHBondContact O-N 3.44Å
240C96.8Very high95.8Very high4 Ų436 Ų363%0.02720%0.195CC..Hα-helixtrans-60.7-44.5173.3-75.80000111.8F180 K188 P209 A213 G236 N237 I238 N243 L244F180-C240 HydrophobicContact CE1-CB 4.1Å; K188-C240 WeakPolarHBondContact CE-SG 3.33Å; K188-C240 PolarHBondContact NZ-SG 2.98Å; P209-C240 HydrophobicContact CB-CB 4.37Å; A213-C240 HydrophobicContact CB-CB 4.2Å; G236-C240 PolarHBondContact O-N 2.97Å; G236-C240 PolarHBondContact O-SG 3.2Å; G236-C240 VanDerWaalsContact O-SG 3.41Å; N237-C240 WeakPolarHBondContact O-CB 3.24Å; N237-C240 PolarHBondContact O-N 3.13Å; N237-C240 VanDerWaalsContact O-N 3.12Å; I238-C240 VanDerWaalsContact C-N 3.27Å; I238-C240 PolarHBondContact O-N 3.34Å; C240-N243 PolarHBondContact O-N 3.01Å; C240-L244 WeakPolarHBondContact O-CB 3.11Å; C240-L244 PolarHBondContact O-N 3.11Å
241G97.9Very high95.7Very high1 Ų141.2 Ų41.21%0.0121%0.213CC..Hα-helixtrans-63.5-42.9175.300000113.1N237 I238 N243 L244 I245N237-G241 PolarHBondContact O-N 2.92Å; I238-G241 PolarHBondContact O-N 3.2Å; G241-N243 PolarHBondContact O-N 2.79Å; G241-L244 PolarHBondContact O-N 3.45Å; G241-I245 WeakPolarHBondContact O-CG1 3.29Å; G241-I245 PolarHBondContact O-N 3.21Å
242L97.7Very high95.7Very high11 Ų1147.7 Ų47.76%0.05823%0.233CC..Hα-helixtrans-58.7-47.6175.1-62.2-177000112L40 P41 F216 I238 T239 I245 Y246 A253L40-L242 HydrophobicContact CB-CD1 3.82Å; P41-L242 HydrophobicContact CG-CD1 4.33Å; F216-L242 HydrophobicContact CD1-CD2 4.48Å; F216-L242 HydrophobicContact CE1-CD2 3.54Å; F216-L242 HydrophobicContact CE1-CG 4.36Å; F216-L242 HydrophobicContact CZ-CD2 4.08Å; I238-L242 HydrophobicContact CG2-CD1 4.29Å; I238-L242 HydrophobicContact CG2-CG 4.33Å; I238-L242 WeakPolarHBondContact O-CG 3.32Å; I238-L242 PolarHBondContact O-N 2.92Å; T239-L242 PolarHBondContact O-N 3.14Å; L242-I245 PolarHBondContact O-N 3.18Å; L242-Y246 WeakPolarHBondContact O-CB 3.36Å; L242-Y246 PolarHBondContact O-N 3.4Å; L242-A253 HydrophobicContact CD2-CB 3.61Å; L242-A253 WeakPolarHBondContact CD2-O 3.31Å
243N96.9Very high96.1Very high54 Ų5443.6 Ų43.629%0.28922%0.216SC..Hα-helixtrans-64.9-39.4179-74.3-11.3000111.9T239 C240 G241 Y246 R247T239-N243 WeakPolarHBondContact O-CB 3.38Å; T239-N243 VanDerWaalsContact O-CG 3.31Å; T239-N243 PolarHBondContact O-N 3.44Å; C240-N243 PolarHBondContact O-N 3.01Å; G241-N243 PolarHBondContact O-N 2.79Å; N243-Y246 PolarHBondContact O-N 3.27Å; N243-R247 VanDerWaalsContact O-CB 3.24Å; N243-R247 WeakPolarHBondContact O-CB 3.3Å; N243-R247 WeakPolarHBondContact O-CG 3.21Å; N243-R247 PolarHBondContact O-N 2.86Å
244L97.8Very high96.5Very high1 Ų141.7 Ų41.71%0.00521%0.205CC..Hα-helixtrans-62.5-49.9176.6178.759.2000111.2V176 H179 F180 A213 L217 C240 G241 Y246 R247 K248V176-L244 HydrophobicContact CG1-CD1 4.09Å; V176-L244 HydrophobicContact CG1-CD2 3.94Å; H179-L244 HydrophobicContact CB-CD1 3.73Å; F180-L244 HydrophobicContact CE2-CB 4.47Å; F180-L244 HydrophobicContact CE2-CD1 3.93Å; F180-L244 HydrophobicContact CE2-CD2 4.25Å; F180-L244 HydrophobicContact CE2-CG 4.44Å; F180-L244 HydrophobicContact CZ-CB 4.01Å; F180-L244 HydrophobicContact CZ-CD1 4.32Å; F180-L244 HydrophobicContact CZ-CD2 4.15Å; F180-L244 HydrophobicContact CZ-CG 4.38Å; A213-L244 HydrophobicContact CB-CB 4.25Å; A213-L244 HydrophobicContact CB-CD2 3.84Å; L217-L244 HydrophobicContact CB-CD2 4.02Å; L217-L244 HydrophobicContact CD2-CD2 4.02Å; L217-L244 HydrophobicContact CD2-CG 4.34Å; C240-L244 WeakPolarHBondContact O-CB 3.11Å; C240-L244 PolarHBondContact O-N 3.11Å; G241-L244 PolarHBondContact O-N 3.45Å; L244-Y246 VanDerWaalsContact C-N 3.3Å; L244-Y246 PolarHBondContact O-N 3.45Å; L244-R247 PolarHBondContact O-N 3.3Å; L244-K248 HydrophobicContact CD1-CB 4.34Å; L244-K248 HydrophobicContact CD1-CD 4.5Å; L244-K248 WeakPolarHBondContact O-CB 3.43Å; L244-K248 PolarHBondContact O-N 3.39Å
245I98Very high96.7Very high0 Ų040.4 Ų40.40%020%0.199CC..Hα-helixtrans-58.5-44.6177.8-69.2169.4000110.6F216 L217 H220 G241 L242 L249 R251 A253F216-I245 HydrophobicContact CB-CD1 4.21Å; F216-I245 HydrophobicContact CD1-CD1 3.97Å; F216-I245 HydrophobicContact CD2-CD1 3.45Å; F216-I245 VanDerWaalsContact CD2-CD1 3.45Å; F216-I245 HydrophobicContact CE1-CD1 4.22Å; F216-I245 HydrophobicContact CE2-CD1 3.71Å; F216-I245 HydrophobicContact CG-CD1 3.58Å; F216-I245 HydrophobicContact CZ-CD1 4.09Å; L217-I245 HydrophobicContact CD1-CG1 4.5Å; H220-I245 HydrophobicContact CB-CD1 3.97Å; H220-I245 HydrophobicContact CB-CG1 4.42Å; G241-I245 WeakPolarHBondContact O-CG1 3.29Å; G241-I245 PolarHBondContact O-N 3.21Å; L242-I245 PolarHBondContact O-N 3.18Å; I245-L249 WeakPolarHBondContact O-CA 3.37Å; I245-L249 WeakPolarHBondContact O-CB 3.34Å; I245-L249 PolarHBondContact O-N 3.21Å; I245-R251 HydrophobicContact CG2-CB 4.03Å; I245-A253 HydrophobicContact CD1-CB 3.96Å; I245-A253 HydrophobicContact CG2-CB 4.32Å
246Y97.4Very high96.8Very high145 Ų14538.5 Ų38.557%0.56919%0.189SC*.Hα-helixtrans-64.3-49.6178.5-179.2-105.3000112.4L242 N243 L244 G250 R251L242-Y246 WeakPolarHBondContact O-CB 3.36Å; L242-Y246 PolarHBondContact O-N 3.4Å; N243-Y246 PolarHBondContact O-N 3.27Å; L244-Y246 VanDerWaalsContact C-N 3.3Å; L244-Y246 PolarHBondContact O-N 3.45Å; Y246-G250 WeakPolarHBondContact O-CA 3.22Å; Y246-G250 PolarHBondContact O-N 2.71Å; Y246-R251 WeakPolarHBondContact CA-O 3.3Å
247R97.3Very high96.9Very high83 Ų8337.3 Ų37.331%0.31318%0.178SC..Hα-helixtrans-71-32.1-176.1-70.4171.9-178.7177.30.3113.2H179 E184 N243 L244H179-R247 HydrophobicContact CB-CB 4.09Å; H179-R247 WeakPolarHBondContact O-CD 3.42Å; H179-R247 PolarHBondContact O-NH1 3.03Å; E184-R247 IonicContact OE1-CZ 3.84Å; E184-R247 IonicContact OE1-NH1 2.62Å; E184-R247 IonicContact OE1-NH2 2.71Å; E184-R247 PolarHBondContact OE1-NH2 3.31Å; E184-R247 IonicContact OE2-CZ 3.67Å; E184-R247 VanDerWaalsContact OE2-CZ 3.28Å; E184-R247 IonicContact OE2-NH1 3.76Å; E184-R247 PolarHBondContact OE2-NH1 3.13Å; E184-R247 IonicContact OE2-NH2 2.91Å; E184-R247 PolarHBondContact OE2-NH2 3.27Å; N243-R247 VanDerWaalsContact O-CB 3.24Å; N243-R247 WeakPolarHBondContact O-CB 3.3Å; N243-R247 WeakPolarHBondContact O-CG 3.21Å; N243-R247 PolarHBondContact O-N 2.86Å; L244-R247 PolarHBondContact O-N 3.3Å
248K96.7Very high96.7Very high54 Ų5437.5 Ų37.524%0.23518%0.179CC..Hα-helixtrans-88.6-42.2-178.1-175.3177.5167.466.90112.7E175 L217 L244E175-K248 WeakPolarHBondContact OE1-CE 3.34Å; E175-K248 IonicContact OE1-NZ 2.76Å; E175-K248 PolarHBondContact OE1-NZ 3.41Å; L217-K248 HydrophobicContact CD1-CD 3.89Å; L217-K248 HydrophobicContact CD2-CD 3.48Å; L217-K248 VanDerWaalsContact CD2-CD 3.48Å; L217-K248 HydrophobicContact CG-CD 4.33Å; L244-K248 HydrophobicContact CD1-CB 4.34Å; L244-K248 HydrophobicContact CD1-CD 4.5Å; L244-K248 WeakPolarHBondContact O-CB 3.43Å; L244-K248 PolarHBondContact O-N 3.39Å
249L96.8Very high96.1Very high53 Ų5337.9 Ų37.928%0.27718%0.181SC..Hα-helixtrans-112.2-8.6-171.1-55.2-179.3000113.9L217 H220 E221 I245 R251L217-L249 HydrophobicContact CD1-CD1 3.67Å; L217-L249 HydrophobicContact CD1-CG 4.06Å; H220-L249 VanDerWaalsContact CD2-CD1 3.47Å; H220-L249 WeakPolarHBondContact CD2-CD1 3.35Å; E221-L249 HydrophobicContact CG-CD1 4.28Å; I245-L249 WeakPolarHBondContact O-CA 3.37Å; I245-L249 WeakPolarHBondContact O-CB 3.34Å; I245-L249 PolarHBondContact O-N 3.21Å; L249-R251 HydrophobicContact CB-CB 4.35Å; L249-R251 HydrophobicContact CB-CG 4.15Å; L249-R251 PolarHBondContact O-N 3.14Å
250G96.5Very high95.5Very high60 Ų6038.5 Ų38.562%0.61918%0.183SC*.  trans66.317.8-174.100000113.5Y246Y246-G250 WeakPolarHBondContact O-CA 3.22Å; Y246-G250 PolarHBondContact O-N 2.71Å
251R95.1Very high94.9Very high117 Ų11739 Ų3944%0.44219%0.185SC..  trans-104.3150.4-175.2-68.4177.3-177.8-177.52.2111.3H220 I245 Y246 L249H220-R251 WeakPolarHBondContact NE2-CD 3.36Å; H220-R251 PolarHBondContact NE2-NH1 2.89Å; H220-R251 VanDerWaalsContact NE2-NH1 3.14Å; I245-R251 HydrophobicContact CG2-CB 4.03Å; Y246-R251 WeakPolarHBondContact CA-O 3.3Å; L249-R251 HydrophobicContact CB-CB 4.35Å; L249-R251 HydrophobicContact CB-CG 4.15Å; L249-R251 PolarHBondContact O-N 3.14Å
252R93.7Very high93.6Very high149 Ų14941.6 Ų41.656%0.56220%0.201SC*.  trans-88.7143171.6-64.6-177-179.3-169.2-2.1109.7H47 Y226H47-R252 PolarHBondContact CE1-NH1 3.16Å; H47-R252 PolarHBondContact NE2-NH1 3.17Å; Y226-R252 WeakPolarHBondContact CD1-O 3.36Å
253A97.2Very high92.2Very high7 Ų741.5 Ų41.56%0.05820%0.201CC..  trans-138.7170.9169.300000108F216 Y226 L242 I245F216-A253 HydrophobicContact CE1-CB 4.36Å; F216-A253 HydrophobicContact CE2-CB 4.36Å; F216-A253 HydrophobicContact CZ-CB 3.81Å; Y226-A253 CarbonylContact O-C 3.51Å; Y226-A253 WeakPolarHBondContact O-CA 3.46Å; Y226-A253 WeakPolarHBondContact O-CB 3.39Å; L242-A253 HydrophobicContact CD2-CB 3.61Å; L242-A253 WeakPolarHBondContact CD2-O 3.31Å; I245-A253 HydrophobicContact CD1-CB 3.96Å; I245-A253 HydrophobicContact CG2-CB 4.32Å
254F98Very high90.7Very high5 Ų542.5 Ų42.52%0.02221%0.21CC..EExtended strand (participates in β ladder)trans-129.7157.3-174.8-56.1-83.9000111.8I39 L40 H47 L48 F51 Y226 M227 Q228I39-F254 HydrophobicContact CD1-CD1 4.08Å; L40-F254 CarbonylContact O-C 3.5Å; L40-F254 VanDerWaalsContact O-CA 3.24Å; L40-F254 WeakPolarHBondContact O-CA 3.43Å; H47-F254 HydrophobicContact CB-CE1 4.08Å; H47-F254 HydrophobicContact CB-CZ 4.22Å; L48-F254 HydrophobicContact CB-CE1 4.47Å; F51-F254 HydrophobicContact CB-CE2 4.03Å; F51-F254 HydrophobicContact CB-CZ 4.24Å; F51-F254 AromaticContact CD1-CE2 3.87Å; F51-F254 HydrophobicContact CD1-CE2 3.87Å; F51-F254 HydrophobicContact CD2-CE2 4.27Å; F51-F254 HydrophobicContact CE1-CE2 4.45Å; F51-F254 AromaticContact CG-CE2 3.79Å; F51-F254 HydrophobicContact CG-CE2 3.79Å; F51-F254 HydrophobicContact CG-CZ 4.39Å; Y226-F254 PolarHBondContact O-N 3.18Å; M227-F254 CarbonylContact C-O 3.49Å; M227-F254 WeakPolarHBondContact CA-O 3.46Å; M227-F254 HydrophobicContact CE-CB 3.69Å; M227-F254 HydrophobicContact CE-CG 4.29Å; M227-F254 HydrophobicContact CG-CB 4.3Å; Q228-F254 PolarHBondContact N-O 3.14Å
255G97.9Very high88.9Confident0 Ų047.9 Ų47.90%024%0.239CC..EExtended strand (participates in β ladder)trans-120.2149.5166.100000109.9I39 L40 Q228I39-G255 CarbonylContact C-O 3.48Å; I39-G255 WeakPolarHBondContact CA-O 3.25Å; I39-G255 WeakPolarHBondContact CG1-O 3.43Å; L40-G255 PolarHBondContact N-O 3.48Å; L40-G255 PolarHBondContact O-N 3.05Å; Q228-G255 CarbonylContact O-C 3.55Å; Q228-G255 VanDerWaalsContact O-CA 3.32Å; Q228-G255 WeakPolarHBondContact O-CA 3.47Å
256L96.9Very high87.1Confident0 Ų050.2 Ų50.20%026%0.263CS..EExtended strand (participates in β ladder)trans-125.5130.1166.9-71.1177.8000108.7I27 L31 F36 E38 I39 M227 Q228 V229 G230I27-L256 HydrophobicContact CG2-CD1 3.49Å; I27-L256 VanDerWaalsContact CG2-CD1 3.49Å; L31-L256 HydrophobicContact CD1-CD2 4.41Å; F36-L256 HydrophobicContact CD1-CB 4.06Å; F36-L256 HydrophobicContact CD1-CD1 4.12Å; F36-L256 HydrophobicContact CD2-CD1 4.1Å; F36-L256 HydrophobicContact CE1-CB 4.41Å; F36-L256 HydrophobicContact CE1-CD1 4.01Å; F36-L256 HydrophobicContact CE2-CD1 3.99Å; F36-L256 HydrophobicContact CG-CB 4.46Å; F36-L256 HydrophobicContact CG-CD1 4.17Å; F36-L256 HydrophobicContact CZ-CD1 3.95Å; E38-L256 WeakPolarHBondContact O-CA 3.35Å; I39-L256 HydrophobicContact CB-CD2 4.08Å; I39-L256 HydrophobicContact CG1-CD2 4.11Å; M227-L256 HydrophobicContact CE-CD1 4.09Å; M227-L256 HydrophobicContact CE-CG 4.07Å; M227-L256 HydrophobicContact CG-CD1 4.36Å; M227-L256 HydrophobicContact CG-CG 4.24Å; M227-L256 HydrophobicContact SD-CD1 3.31Å; M227-L256 WeakPolarHBondContact SD-CD1 3.43Å; M227-L256 HydrophobicContact SD-CG 3.66Å; Q228-L256 PolarHBondContact O-N 2.84Å; V229-L256 WeakPolarHBondContact CA-O 3.05Å; V229-L256 HydrophobicContact CG2-CB 4.2Å; V229-L256 HydrophobicContact CG2-CD1 4.42Å; G230-L256 PolarHBondContact N-O 3.46Å
257T95.8Very high85.4Confident0 Ų047.3 Ų47.30%026%0.255CS..EExtended strand (participates in β ladder)trans-98.5135.5173.766.40000110.8S37 E38 L40 G230 I235 I238S37-T257 PolarHBondContact N-O 2.98Å; E38-T257 HydrophobicContact CG-CG2 4.07Å; E38-T257 WeakPolarHBondContact CG-OG1 3.43Å; E38-T257 PolarHBondContact N-OG1 2.97Å; E38-T257 PolarHBondContact O-N 3.24Å; E38-T257 WeakPolarHBondContact OE1-CB 3.42Å; E38-T257 WeakPolarHBondContact OE1-CG2 3Å; E38-T257 PolarHBondContact OE1-OG1 3.32Å; L40-T257 HydrophobicContact CD1-CG2 4.22Å; G230-T257 CarbonylContact O-C 3.52Å; G230-T257 VanDerWaalsContact O-CA 3.24Å; G230-T257 WeakPolarHBondContact O-CA 3.27Å; I235-T257 HydrophobicContact CD1-CG2 4.35Å; I235-T257 HydrophobicContact CG1-CG2 3.61Å; I238-T257 HydrophobicContact CD1-CG2 4.46Å
258V92.9Very high83.9Confident5 Ų546.2 Ų46.23%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-96.2144.9163.9-65.20000108.9F36 V76 A77 V229 G230 G231 H232F36-V258 HydrophobicContact CD1-CG1 3.87Å; F36-V258 HydrophobicContact CE1-CG1 4.13Å; V76-V258 HydrophobicContact CB-CG2 4.35Å; V76-V258 HydrophobicContact CG1-CB 3.56Å; V76-V258 HydrophobicContact CG1-CG1 4.21Å; V76-V258 HydrophobicContact CG1-CG2 3.57Å; A77-V258 HydrophobicContact CB-CG2 4.33Å; V229-V258 HydrophobicContact CG1-CG1 4Å; G230-V258 WeakPolarHBondContact O-CG2 3.44Å; G230-V258 PolarHBondContact O-N 3.46Å; G231-V258 WeakPolarHBondContact CA-O 3.22Å; H232-V258 PolarHBondContact N-O 2.75Å; H232-V258 VanDerWaalsContact N-O 3.09Å
259P84.9Confident82.3Confident8 Ų845.1 Ų45.15%0.05225%0.249CC..PPolyproline II helixtrans-65.3150.7178.9-4.49000112.8S37 K310 Q314S37-P259 WeakPolarHBondContact OG-CA 3.35Å; S37-P259 WeakPolarHBondContact OG-CB 3.37Å; S37-P259 WeakPolarHBondContact OG-CD 3.39Å; S37-P259 WeakPolarHBondContact OG-CG 3.41Å; S37-P259 VanDerWaalsContact OG-N 3.11Å; P259-K310 HydrophobicContact CB-CD 4.27Å; P259-K310 HydrophobicContact CB-CG 4.46Å; P259-K310 HydrophobicContact CG-CD 4.24Å; P259-K310 HydrophobicContact CG-CG 4.02Å; P259-Q314 HydrophobicContact CG-CG 3.92Å; P259-Q314 PolarHBondContact O-NE2 2.93Å
260L83.8Confident80.1Confident51 Ų5143.3 Ų43.327%0.26724%0.243SC..PPolyproline II helixtrans-71.5137.9171.4-65.6171.1000110.1H232 D233 T262H232-L260 HydrophobicContact CB-CG 4.28Å; D233-L260 HydrophobicContact CB-CD1 4.29Å; D233-L260 HydrophobicContact CB-CD2 4.49Å; L260-T262 HydrophobicContact CB-CG2 4.07Å; L260-T262 PolarHBondContact O-N 3.09Å
261L83Confident77.8Confident15 Ų1546.1 Ų46.18%0.07924%0.238CC..  trans-72108.4166.7-67.2-174.6000108.5L72 V76 K268 L269 L311 L315L72-L261 HydrophobicContact CD2-CD1 4.27Å; L72-L261 HydrophobicContact CG-CD1 3.84Å; V76-L261 HydrophobicContact CG2-CD1 3.7Å; V76-L261 HydrophobicContact CG2-CD2 3.81Å; V76-L261 HydrophobicContact CG2-CG 3.55Å; L261-K268 WeakPolarHBondContact O-CA 3.46Å; L261-L269 HydrophobicContact CB-CB 4.18Å; L261-L269 HydrophobicContact CB-CD1 3.73Å; L261-L269 HydrophobicContact CB-CG 4.23Å; L261-L269 HydrophobicContact CD1-CD1 4.31Å; L261-L269 PolarHBondContact O-N 3.15Å; L261-L311 HydrophobicContact CD2-CD1 3.56Å; L261-L315 HydrophobicContact CD1-CD1 4.28Å; L261-L315 HydrophobicContact CD2-CD1 4.25Å
262T72.4Confident74.9Confident55 Ų5544.9 Ų44.934%0.33725%0.247SC..BIsolated β-bridgetrans-119.4151.5179.457.60000111.4L260 Q267L260-T262 HydrophobicContact CB-CG2 4.07Å; L260-T262 PolarHBondContact O-N 3.09Å; T262-Q267 CarbonylContact C-O 3.59Å; T262-Q267 WeakPolarHBondContact CA-O 3.49Å
263T67.2Low71.9Confident10 Ų1041.7 Ų41.76%0.06124%0.244CC..  trans-65.3165.1162.164.60000109.5D265 G266 Q267 L269 C278T263-D265 PolarHBondContact O-N 2.89Å; T263-D265 VanDerWaalsContact O-N 3.15Å; T263-G266 WeakPolarHBondContact O-CA 3.45Å; T263-G266 PolarHBondContact O-N 3.2Å; T263-Q267 PolarHBondContact N-O 3.36Å; T263-Q267 WeakPolarHBondContact OG1-CB 3.42Å; T263-Q267 PolarHBondContact OG1-N 2.93Å; T263-Q267 PolarHBondContact OG1-O 3.43Å; T263-L269 HydrophobicContact CG2-CD2 3.82Å; T263-C278 HydrophobicContact CG2-CB 4.02Å
264P65.6Low68.8Low74 Ų7446.7 Ų46.748%0.48128%0.279SS..THydrogen-bonded Turntrans-52.2-32.3172.2-27.735.4000113.5G266P264-G266 PolarHBondContact O-N 3.35Å
265D59.4Low65.6Low114 Ų11452.9 Ų52.961%0.6131%0.312SS*.THydrogen-bonded Turntrans-77.66.4176.9-45.2-45.9000113.5T263 Q267T263-D265 PolarHBondContact O-N 2.89Å; T263-D265 VanDerWaalsContact O-N 3.15Å; D265-Q267 VanDerWaalsContact C-N 3.29Å; D265-Q267 PolarHBondContact O-N 2.93Å
266G61.4Low62.6Low50 Ų5054 Ų5452%0.51532%0.32SS..SBendtrans78.92.3179.900000115T263 P264T263-G266 WeakPolarHBondContact O-CA 3.45Å; T263-G266 PolarHBondContact O-N 3.2Å; P264-G266 PolarHBondContact O-N 3.35Å
267Q61.7Low59.4Low83 Ų8363.9 Ų63.939%0.38837%0.366SS..PPolyproline II helixtrans-75.7135.8178.7-58.2-171.19.900110.8T262 T263 D265 L269T262-Q267 CarbonylContact C-O 3.59Å; T262-Q267 WeakPolarHBondContact CA-O 3.49Å; T263-Q267 PolarHBondContact N-O 3.36Å; T263-Q267 WeakPolarHBondContact OG1-CB 3.42Å; T263-Q267 PolarHBondContact OG1-N 2.93Å; T263-Q267 PolarHBondContact OG1-O 3.43Å; D265-Q267 VanDerWaalsContact C-N 3.29Å; D265-Q267 PolarHBondContact O-N 2.93Å; Q267-L269 PolarHBondContact O-N 3.22Å
268K65.1Low56.4Low60 Ų6065.2 Ų65.226%0.26138%0.375SS..BIsolated β-bridgetrans-57.3126.6174.1-71.4-175.7174.7-178.40110.5D233 L261 G270 K271D233-K268 IonicContact OD2-NZ 3.46Å; D233-K268 PolarHBondContact OD2-NZ 3.05Å; L261-K268 WeakPolarHBondContact O-CA 3.46Å; K268-G270 PolarHBondContact O-N 3.49Å; K268-K271 PolarHBondContact O-N 3.41Å
269L62.2Low53.8Low32 Ų3267.5 Ų67.517%0.16840%0.4CS..THydrogen-bonded Turntrans-55.3133.3172.7-77.3177.9000110.2L261 T263 Q267 M280 I306L261-L269 HydrophobicContact CB-CB 4.18Å; L261-L269 HydrophobicContact CB-CD1 3.73Å; L261-L269 HydrophobicContact CB-CG 4.23Å; L261-L269 HydrophobicContact CD1-CD1 4.31Å; L261-L269 PolarHBondContact O-N 3.15Å; T263-L269 HydrophobicContact CG2-CD2 3.82Å; Q267-L269 PolarHBondContact O-N 3.22Å; L269-M280 HydrophobicContact CD2-CB 4.28Å; L269-I306 HydrophobicContact CD1-CD1 3.27Å; L269-I306 HydrophobicContact CD2-CD1 3.66Å; L269-I306 HydrophobicContact CG-CD1 3.8Å
270G51.4Low52.4Low15 Ų1569.6 Ų69.616%0.15541%0.41CS..THydrogen-bonded Turntrans89.52.4176.200000116K268 S272 T282K268-G270 PolarHBondContact O-N 3.49Å; G270-S272 PolarHBondContact O-N 3.15Å; G270-T282 PolarHBondContact O-OG1 3.14Å
271K48Very low51.7Low119 Ų11972.2 Ų72.252%0.51742%0.424SS..  trans-72.9102.9157.8-80.3-172.6178.7178.60107.7K268 V273K268-K271 PolarHBondContact O-N 3.41Å; K271-V273 PolarHBondContact O-N 3.42Å
272S35.4Very low51.8Low90 Ų9072 Ų7263%0.62942%0.423SS*.  trans-64.466.7169.7-46.40000110.6G270 S274 T282G270-S272 PolarHBondContact O-N 3.15Å; S272-S274 PolarHBondContact O-N 2.69Å; S272-T282 PolarHBondContact OG-OG1 2.94Å
273V30.1Very low52.8Low82 Ų8270 Ų7050%0.49741%0.411SS..  trans-78.4107.5154.6-172.10000103.5K271 N275 S276K271-V273 PolarHBondContact O-N 3.42Å; V273-N275 PolarHBondContact O-N 2.86Å; V273-S276 PolarHBondContact O-N 3.07Å; V273-S276 VanDerWaalsContact O-N 3.14Å
274S32.1Very low54.1Low112 Ų11271.8 Ų71.878%0.78342%0.416SS*.THydrogen-bonded Turntrans-51.3-5-178.555.60000114.9S272S272-S274 PolarHBondContact O-N 2.69Å
275N29.9Very low55.5Low135 Ų13568.3 Ų68.372%0.72239%0.394SS*.THydrogen-bonded Turntrans-134.816.3-171.7-60.24000113.7V273 E277V273-N275 PolarHBondContact O-N 2.86Å; N275-E277 PolarHBondContact O-N 3.49Å
276S35.2Very low57.2Low24 Ų2463.8 Ų63.817%0.16837%0.369CS..  trans-74.6126.4169.4590000109V273 C278 G279V273-S276 PolarHBondContact O-N 3.07Å; V273-S276 VanDerWaalsContact O-N 3.14Å; S276-C278 PolarHBondContact O-N 2.84Å; S276-G279 WeakPolarHBondContact O-CA 3.26Å; S276-G279 PolarHBondContact O-N 3.44Å
277E29.2Very low58.6Low207 Ų20762.9 Ų62.997%0.96736%0.355SS*.THydrogen-bonded Turntrans-57.9-15.4-179.3-71.3-179.2154.500113.1N275N275-E277 PolarHBondContact O-N 3.49Å
278C34.1Very low59.9Low29 Ų2966.7 Ų66.720%0.19637%0.37CS..THydrogen-bonded Turntrans-86.4-13.6173.4-147.60000114.3T263 S276 M280T263-C278 HydrophobicContact CG2-CB 4.02Å; S276-C278 PolarHBondContact O-N 2.84Å; C278-M280 VanDerWaalsContact C-N 3.27Å; C278-M280 WeakPolarHBondContact O-CG 3.21Å; C278-M280 PolarHBondContact O-N 3.42Å
279G37.2Very low61.1Low53 Ų5367.5 Ų67.555%0.54637%0.373SS..  trans54.918.5156.400000119.3S276 D281S276-G279 WeakPolarHBondContact O-CA 3.26Å; S276-G279 PolarHBondContact O-N 3.44Å; G279-D281 PolarHBondContact O-N 3.29Å
280M55.2Low62.5Low52 Ų5266.5 Ų66.526%0.25637%0.368SS..  trans-85.1100.5-176.5-74.6-7914700111L269 C278 L302 P303L269-M280 HydrophobicContact CD2-CB 4.28Å; C278-M280 VanDerWaalsContact C-N 3.27Å; C278-M280 WeakPolarHBondContact O-CG 3.21Å; C278-M280 PolarHBondContact O-N 3.42Å; M280-L302 HydrophobicContact SD-CD2 4.12Å; M280-P303 HydrophobicContact CE-CG 4.44Å
281D70.6Confident64.5Low106 Ų10668.9 Ų68.957%0.56737%0.374SS*.  trans-47.4144.9165.7-76.2-17.7000111.4G279 I283 K298G279-D281 PolarHBondContact O-N 3.29Å; D281-I283 PolarHBondContact O-N 3.19Å; D281-K298 IonicContact OD2-NZ 3.19Å
282T84.8Confident66.8Low11 Ų1163.3 Ų63.37%0.06735%0.35CS..  trans-49.4129.9172.5-44.40000112Q71 G270 S272 W284 K298Q71-T282 HydrophobicContact CB-CG2 4.22Å; Q71-T282 HydrophobicContact CG-CG2 3.57Å; G270-T282 PolarHBondContact O-OG1 3.14Å; S272-T282 PolarHBondContact OG-OG1 2.94Å; T282-W284 HydrophobicContact CG2-CD2 3.92Å; T282-W284 HydrophobicContact CG2-CE3 4.36Å; T282-W284 HydrophobicContact CG2-CG 4.41Å; T282-W284 HydrophobicContact CG2-CH2 4.29Å; T282-W284 HydrophobicContact CG2-CZ2 3.8Å; T282-K298 PolarHBondContact O-NZ 2.87Å
283I92.3Very high69.7Low13 Ų1359.2 Ų59.27%0.06732%0.321CS..  trans-96.6102.6174-59.5173.9000107.7Q71 L72 D281 L290 F295 K298 I299Q71-I283 CarbonylContact C-O 3.55Å; Q71-I283 VanDerWaalsContact CA-O 3.31Å; Q71-I283 WeakPolarHBondContact CA-O 3.47Å; L72-I283 HydrophobicContact CB-CB 3.96Å; L72-I283 HydrophobicContact CB-CG2 4.16Å; L72-I283 HydrophobicContact CD2-CB 4.46Å; L72-I283 HydrophobicContact CD2-CD1 3.77Å; L72-I283 PolarHBondContact N-O 2.89Å; D281-I283 PolarHBondContact O-N 3.19Å; I283-L290 HydrophobicContact CG2-CD2 3.96Å; I283-F295 HydrophobicContact CG2-CD2 3.47Å; I283-F295 VanDerWaalsContact CG2-CD2 3.47Å; I283-F295 HydrophobicContact CG2-CE2 3.59Å; I283-F295 HydrophobicContact CG2-CG 4.44Å; I283-K298 HydrophobicContact CD1-CB 3.97Å; I283-K298 HydrophobicContact CG1-CB 3.97Å; I283-K298 HydrophobicContact CG1-CD 3.92Å; I283-I299 HydrophobicContact CD1-CG1 4.35Å
284W94.3Very high72.7Confident46 Ų4658.1 Ų58.117%0.17431%0.312CS..BIsolated β-bridgetrans-85.1146179.9-58.2100.2000111.6C67 S69 Q71 T282 K289 L290 F295C67-W284 HydrophobicContact CB-CH2 4.02Å; C67-W284 HydrophobicContact CB-CZ3 3.74Å; S69-W284 WeakPolarHBondContact O-CZ3 3.49Å; Q71-W284 HydrophobicContact CG-CD2 4.26Å; Q71-W284 HydrophobicContact CG-CE3 3.55Å; Q71-W284 HydrophobicContact CG-CH2 4.27Å; Q71-W284 HydrophobicContact CG-CZ3 3.56Å; T282-W284 HydrophobicContact CG2-CD2 3.92Å; T282-W284 HydrophobicContact CG2-CE3 4.36Å; T282-W284 HydrophobicContact CG2-CG 4.41Å; T282-W284 HydrophobicContact CG2-CH2 4.29Å; T282-W284 HydrophobicContact CG2-CZ2 3.8Å; W284-K289 HydrophobicContact CB-CB 3.81Å; W284-K289 HydrophobicContact CB-CD 4.49Å; W284-K289 HydrophobicContact CD2-CD 3.85Å; W284-K289 HydrophobicContact CE3-CD 3.93Å; W284-K289 HydrophobicContact CG-CB 3.91Å; W284-K289 HydrophobicContact CG-CD 4.12Å; W284-K289 HydrophobicContact CZ3-CD 4.42Å; W284-L290 HydrophobicContact CB-CB 3.93Å; W284-F295 WeakPolarHBondContact O-CD2 3.37Å
285L96.4Very high75.8Confident2 Ų252.8 Ų52.81%0.0128%0.275CS..SBendtrans-86.5-29.1-179.4-55.9-165.5000113.6S69 L70 L75 I134 F295 V351 H352S69-L285 PolarHBondContact OG-N 3.41Å; L70-L285 HydrophobicContact CB-CB 4.48Å; L70-L285 HydrophobicContact CB-CD1 3.76Å; L70-L285 HydrophobicContact CB-CG 4.09Å; L70-L285 PolarHBondContact O-N 3.2Å; L75-L285 HydrophobicContact CB-CD1 4.28Å; L75-L285 HydrophobicContact CD1-CD1 4.18Å; L75-L285 HydrophobicContact CD2-CD2 4.31Å; I134-L285 HydrophobicContact CD1-CD1 3.99Å; L285-F295 HydrophobicContact CD2-CE2 3.63Å; L285-F295 HydrophobicContact CD2-CZ 4.26Å; L285-V351 HydrophobicContact CB-CG1 3.88Å; L285-V351 HydrophobicContact CD2-CG1 4.31Å; L285-V351 HydrophobicContact CD2-CG2 4.19Å; L285-V351 WeakPolarHBondContact O-CG1 3.46Å; L285-H352 PolarHBondContact O-CE1 2.88Å
286M94.1Very high78.9Confident18 Ų1846.8 Ų46.89%0.08924%0.242CC..SBendtrans-78132178.8-71.5-147.5-42.200112.1D68 S69 L126 K288 K289 L290D68-M286 WeakPolarHBondContact O-CE 3.41Å; D68-M286 VanDerWaalsContact O-SD 3.39Å; S69-M286 PolarHBondContact OG-N 3.37Å; L126-M286 HydrophobicContact CB-CE 4.36Å; L126-M286 HydrophobicContact CB-SD 4Å; L126-M286 HydrophobicContact CD1-CE 4.24Å; L126-M286 HydrophobicContact CD2-CE 4.21Å; L126-M286 HydrophobicContact CD2-SD 4.15Å; M286-K288 PolarHBondContact O-N 2.88Å; M286-K288 VanDerWaalsContact O-N 3.13Å; M286-K289 PolarHBondContact O-N 2.63Å; M286-L290 PolarHBondContact O-N 3.08Å
287S92.1Very high81.8Confident32 Ų3246.3 Ų46.322%0.22424%0.238CC..THydrogen-bonded Turntrans-57.7-29.5179.353.30000113.8K289 L290 K291S287-K289 VanDerWaalsContact C-N 3.34Å; S287-L290 WeakPolarHBondContact CA-O 3.45Å; S287-L290 CarbonylContact O-C 3.59Å; S287-K291 PolarHBondContact O-N 3.35Å
288K89Confident84.8Confident162 Ų16239 Ų3970%0.70420%0.203SC*.THydrogen-bonded Turntrans-65.6-33.7176.3-68.8-173.8179.2179.50113M286M286-K288 PolarHBondContact O-N 2.88Å; M286-K288 VanDerWaalsContact O-N 3.13Å
289K89.8Confident87.6Confident77 Ų7737.6 Ų37.634%0.33519%0.193SC..THydrogen-bonded Turntrans-89.9-37177.6-61.9-157.690165.80112.5D68 W284 M286 S287D68-K289 WeakPolarHBondContact OD1-CD 3.44Å; D68-K289 WeakPolarHBondContact OD1-CE 3.27Å; D68-K289 IonicContact OD1-NZ 3.24Å; D68-K289 PolarHBondContact OD1-NZ 3.34Å; D68-K289 WeakPolarHBondContact OD2-CD 3.48Å; D68-K289 IonicContact OD2-NZ 3.44Å; W284-K289 HydrophobicContact CB-CB 3.81Å; W284-K289 HydrophobicContact CB-CD 4.49Å; W284-K289 HydrophobicContact CD2-CD 3.85Å; W284-K289 HydrophobicContact CE3-CD 3.93Å; W284-K289 HydrophobicContact CG-CB 3.91Å; W284-K289 HydrophobicContact CG-CD 4.12Å; W284-K289 HydrophobicContact CZ3-CD 4.42Å; M286-K289 PolarHBondContact O-N 2.63Å; S287-K289 VanDerWaalsContact C-N 3.34Å
290L91.7Very high90.3Very high11 Ų1135.8 Ų35.86%0.05817%0.171CC..SBendtrans-141.8106.4179.3-172.667000108.4I283 W284 M286 S287 N294 F295 K298I283-L290 HydrophobicContact CG2-CD2 3.96Å; W284-L290 HydrophobicContact CB-CB 3.93Å; M286-L290 PolarHBondContact O-N 3.08Å; S287-L290 WeakPolarHBondContact CA-O 3.45Å; S287-L290 CarbonylContact O-C 3.59Å; L290-N294 HydrophobicContact CD1-CB 3.5Å; L290-N294 HydrophobicContact CG-CB 4.09Å; L290-F295 HydrophobicContact CD2-CB 3.97Å; L290-F295 HydrophobicContact CD2-CD2 4.23Å; L290-F295 HydrophobicContact CG-CB 4.22Å; L290-K298 HydrophobicContact CD1-CD 4.26Å; L290-K298 HydrophobicContact CD2-CD 4.08Å
291K93.2Very high92Very high66 Ų6635.5 Ų35.529%0.28717%0.17SC..  trans-53143.6178-67.1-173.9176.9-179.10110.3S287 Y293 N294 F295 L413S287-K291 PolarHBondContact O-N 3.35Å; K291-Y293 VanDerWaalsContact C-N 3.26Å; K291-Y293 PolarHBondContact O-N 2.93Å; K291-Y293 VanDerWaalsContact O-N 3.14Å; K291-N294 WeakPolarHBondContact O-CA 3.47Å; K291-N294 WeakPolarHBondContact O-CB 3.5Å; K291-N294 PolarHBondContact O-N 2.71Å; K291-F295 PolarHBondContact O-N 3.07Å; K291-L413 WeakPolarHBondContact CD-O 3.35Å; K291-L413 PolarHBondContact NZ-O 3.14Å; K291-L413 VanDerWaalsContact NZ-O 3.08Å
292P96.5Very high93Very high1 Ų130.8 Ų30.81%0.00615%0.145CC..Hα-helixtrans-50.9-39.2-178.4-29.834.2000115.1N294 F295 Y296 H352 A356 S360 Q411 F412P292-N294 PolarHBondContact O-N 2.99Å; P292-F295 WeakPolarHBondContact O-CB 3.24Å; P292-F295 PolarHBondContact O-N 3Å; P292-Y296 WeakPolarHBondContact O-CB 3.24Å; P292-Y296 PolarHBondContact O-N 3.36Å; P292-H352 HydrophobicContact CB-CB 4.1Å; P292-H352 HydrophobicContact CG-CB 4.17Å; P292-A356 HydrophobicContact CB-CB 3.75Å; P292-A356 HydrophobicContact CG-CB 4Å; P292-S360 PolarHBondContact O-OG 3.19Å; P292-Q411 WeakPolarHBondContact CD-O 3.47Å; P292-F412 HydrophobicContact CG-CD1 4.02Å
293Y96.3Very high93.1Very high4 Ų432.1 Ų32.12%0.01615%0.154CC..Hα-helixtrans-60.6-43.2173.7168.1-97.6000112.6K291 Y296 Q297 S360 A363 F367 F412 L413 P414K291-Y293 VanDerWaalsContact C-N 3.26Å; K291-Y293 PolarHBondContact O-N 2.93Å; K291-Y293 VanDerWaalsContact O-N 3.14Å; Y293-Y296 PolarHBondContact O-N 3.07Å; Y293-Q297 HydrophobicContact CD1-CG 4.37Å; Y293-Q297 HydrophobicContact CD2-CG 4.12Å; Y293-Q297 HydrophobicContact CE1-CG 3.86Å; Y293-Q297 HydrophobicContact CE2-CG 3.56Å; Y293-Q297 HydrophobicContact CG-CG 4.5Å; Y293-Q297 VanDerWaalsContact CZ-CG 3.4Å; Y293-Q297 WeakPolarHBondContact O-CB 3.49Å; Y293-Q297 WeakPolarHBondContact O-CG 3.39Å; Y293-Q297 PolarHBondContact O-N 3.21Å; Y293-S360 WeakPolarHBondContact CA-OG 3.39Å; Y293-S360 PolarHBondContact N-OG 3.14Å; Y293-A363 HydrophobicContact CD2-CB 3.74Å; Y293-A363 HydrophobicContact CE2-CB 3.93Å; Y293-F367 HydrophobicContact CE1-CD2 4.21Å; Y293-F367 HydrophobicContact CE1-CE2 4.07Å; Y293-F367 AromaticContact CE2-CD2 3.84Å; Y293-F367 HydrophobicContact CE2-CD2 3.84Å; Y293-F367 HydrophobicContact CE2-CE2 4.16Å; Y293-F367 AromaticContact CZ-CD2 3.49Å; Y293-F367 VanDerWaalsContact CZ-CD2 3.49Å; Y293-F367 AromaticContact CZ-CE2 3.78Å; Y293-F367 VanDerWaalsContact OH-CD2 3.24Å; Y293-F367 WeakPolarHBondContact OH-CD2 3.32Å; Y293-F412 PolarHBondContact N-O 2.96Å; Y293-L413 HydrophobicContact CG-CD2 4.45Å; Y293-P414 VanDerWaalsContact CD1-CD 3.43Å; Y293-P414 HydrophobicContact CD1-CG 3.56Å; Y293-P414 HydrophobicContact CE1-CG 3.83Å; Y293-P414 HydrophobicContact CG-CG 4.37Å
294N93.7Very high93Very high59 Ų5935.2 Ų35.232%0.31617%0.171SC..Hα-helixtrans-69.2-36.3178.2-68-12000111.2L290 K291 P292 Q297 K298L290-N294 HydrophobicContact CD1-CB 3.5Å; L290-N294 HydrophobicContact CG-CB 4.09Å; K291-N294 WeakPolarHBondContact O-CA 3.47Å; K291-N294 WeakPolarHBondContact O-CB 3.5Å; K291-N294 PolarHBondContact O-N 2.71Å; P292-N294 PolarHBondContact O-N 2.99Å; N294-Q297 PolarHBondContact O-N 2.94Å; N294-K298 WeakPolarHBondContact O-CB 3.14Å; N294-K298 VanDerWaalsContact O-CG 3.31Å; N294-K298 WeakPolarHBondContact O-CG 3.21Å; N294-K298 PolarHBondContact O-N 3.39Å
295F95.8Very high92.8Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-58.8-51.9171.5176.5-88.7000111I283 W284 L285 L290 K291 P292 Q297 K298 I299 L347 T348 V351 H352I283-F295 HydrophobicContact CG2-CD2 3.47Å; I283-F295 VanDerWaalsContact CG2-CD2 3.47Å; I283-F295 HydrophobicContact CG2-CE2 3.59Å; I283-F295 HydrophobicContact CG2-CG 4.44Å; W284-F295 WeakPolarHBondContact O-CD2 3.37Å; L285-F295 HydrophobicContact CD2-CE2 3.63Å; L285-F295 HydrophobicContact CD2-CZ 4.26Å; L290-F295 HydrophobicContact CD2-CB 3.97Å; L290-F295 HydrophobicContact CD2-CD2 4.23Å; L290-F295 HydrophobicContact CG-CB 4.22Å; K291-F295 PolarHBondContact O-N 3.07Å; P292-F295 WeakPolarHBondContact O-CB 3.24Å; P292-F295 PolarHBondContact O-N 3Å; F295-Q297 PolarHBondContact O-N 2.89Å; F295-K298 PolarHBondContact O-N 3.43Å; F295-I299 HydrophobicContact CD1-CD1 3.75Å; F295-I299 HydrophobicContact CD2-CD1 4.45Å; F295-I299 HydrophobicContact CE1-CD1 3.25Å; F295-I299 HydrophobicContact CE2-CD1 4.03Å; F295-I299 HydrophobicContact CG-CD1 4.33Å; F295-I299 HydrophobicContact CZ-CD1 3.42Å; F295-I299 VanDerWaalsContact CZ-CD1 3.42Å; F295-I299 PolarHBondContact O-N 3.34Å; F295-L347 HydrophobicContact CE1-CB 3.94Å; F295-L347 HydrophobicContact CZ-CB 4.06Å; F295-T348 WeakPolarHBondContact CD1-OG1 3.26Å; F295-V351 HydrophobicContact CE1-CB 4.49Å; F295-V351 HydrophobicContact CZ-CB 4.27Å; F295-V351 HydrophobicContact CZ-CG2 3.97Å; F295-H352 AromaticContact CD1-CD2 3.69Å; F295-H352 AromaticContact CD1-NE2 3.76Å; F295-H352 AromaticContact CD2-NE2 3.9Å; F295-H352 AromaticContact CG-CD2 3.9Å; F295-H352 AromaticContact CG-NE2 3.46Å; F295-H352 WeakPolarHBondContact CG-NE2 3.45Å
296Y96.6Very high92.4Very high9 Ų937.5 Ų37.54%0.03519%0.192CC..Hα-helixtrans-56.3-49.2176.1178.7-89.7000111.6P292 Y293 I299 L300 A344 R345 L357 E361 T364P292-Y296 WeakPolarHBondContact O-CB 3.24Å; P292-Y296 PolarHBondContact O-N 3.36Å; Y293-Y296 PolarHBondContact O-N 3.07Å; Y296-I299 PolarHBondContact O-N 2.67Å; Y296-L300 HydrophobicContact CE1-CD2 3.92Å; Y296-L300 WeakPolarHBondContact O-CB 3.5Å; Y296-L300 PolarHBondContact O-N 3.12Å; Y296-A344 HydrophobicContact CD2-CB 3.68Å; Y296-A344 WeakPolarHBondContact CD2-O 3.22Å; Y296-A344 HydrophobicContact CE2-CB 3.55Å; Y296-A344 HydrophobicContact CG-CB 4.21Å; Y296-R345 HydrophobicContact CE2-CG 4.19Å; Y296-L357 HydrophobicContact CD2-CD1 3.82Å; Y296-L357 HydrophobicContact CE2-CD1 3.71Å; Y296-E361 HydrophobicContact CE2-CG 4.16Å; Y296-T364 HydrophobicContact CE1-CG2 4.45Å; Y296-T364 WeakPolarHBondContact CE1-OG1 3.42Å
297Q94.2Very high92.3Very high15 Ų1537.8 Ų37.87%0.0719%0.194CC..Hα-helixtrans-65.5-39.1-179.8-78.7-64.3-37.800113.2Y293 N294 F295 I299 L300 N301 T364Y293-Q297 HydrophobicContact CD1-CG 4.37Å; Y293-Q297 HydrophobicContact CD2-CG 4.12Å; Y293-Q297 HydrophobicContact CE1-CG 3.86Å; Y293-Q297 HydrophobicContact CE2-CG 3.56Å; Y293-Q297 HydrophobicContact CG-CG 4.5Å; Y293-Q297 VanDerWaalsContact CZ-CG 3.4Å; Y293-Q297 WeakPolarHBondContact O-CB 3.49Å; Y293-Q297 WeakPolarHBondContact O-CG 3.39Å; Y293-Q297 PolarHBondContact O-N 3.21Å; N294-Q297 PolarHBondContact O-N 2.94Å; F295-Q297 PolarHBondContact O-N 2.89Å; Q297-I299 VanDerWaalsContact C-N 3.31Å; Q297-I299 PolarHBondContact O-N 3.5Å; Q297-L300 PolarHBondContact O-N 3.42Å; Q297-N301 WeakPolarHBondContact O-CB 3.42Å; Q297-N301 PolarHBondContact O-N 2.91Å; Q297-N301 PolarHBondContact O-ND2 2.6Å; Q297-N301 PolarHBondContact OE1-ND2 3.19Å; Q297-T364 VanDerWaalsContact NE2-CG2 3.32Å; Q297-T364 PolarHBondContact NE2-OG1 3.36Å
298K92.8Very high92.3Very high53 Ų5338.5 Ų38.523%0.2320%0.199CC..Hα-helixtrans-62.3-40.3176.5-77.9-169.6178.2-165.20111.4D281 T282 I283 L290 N294 F295 N301 L302D281-K298 IonicContact OD2-NZ 3.19Å; T282-K298 PolarHBondContact O-NZ 2.87Å; I283-K298 HydrophobicContact CD1-CB 3.97Å; I283-K298 HydrophobicContact CG1-CB 3.97Å; I283-K298 HydrophobicContact CG1-CD 3.92Å; L290-K298 HydrophobicContact CD1-CD 4.26Å; L290-K298 HydrophobicContact CD2-CD 4.08Å; N294-K298 WeakPolarHBondContact O-CB 3.14Å; N294-K298 VanDerWaalsContact O-CG 3.31Å; N294-K298 WeakPolarHBondContact O-CG 3.21Å; N294-K298 PolarHBondContact O-N 3.39Å; F295-K298 PolarHBondContact O-N 3.43Å; K298-N301 PolarHBondContact O-N 2.91Å; K298-L302 PolarHBondContact O-N 3.32Å
299I94.3Very high92.5Very high0 Ų033.6 Ų33.60%018%0.18CC..Hα-helixtrans-70-42.4176.1-64.1161.9000111.2I283 F295 Y296 Q297 N301 L302 L343 A344 L347I283-I299 HydrophobicContact CD1-CG1 4.35Å; F295-I299 HydrophobicContact CD1-CD1 3.75Å; F295-I299 HydrophobicContact CD2-CD1 4.45Å; F295-I299 HydrophobicContact CE1-CD1 3.25Å; F295-I299 HydrophobicContact CE2-CD1 4.03Å; F295-I299 HydrophobicContact CG-CD1 4.33Å; F295-I299 HydrophobicContact CZ-CD1 3.42Å; F295-I299 VanDerWaalsContact CZ-CD1 3.42Å; F295-I299 PolarHBondContact O-N 3.34Å; Y296-I299 PolarHBondContact O-N 2.67Å; Q297-I299 VanDerWaalsContact C-N 3.31Å; Q297-I299 PolarHBondContact O-N 3.5Å; I299-N301 PolarHBondContact O-N 3.26Å; I299-L302 HydrophobicContact CG2-CD1 4.03Å; I299-L302 WeakPolarHBondContact O-CB 3.33Å; I299-L302 VanDerWaalsContact O-CG 3.26Å; I299-L302 WeakPolarHBondContact O-CG 3.26Å; I299-L302 PolarHBondContact O-N 3.27Å; I299-L302 VanDerWaalsContact O-N 3.13Å; I299-L343 HydrophobicContact CG2-CB 3.66Å; I299-A344 HydrophobicContact CB-CB 4.11Å; I299-A344 HydrophobicContact CG2-CB 3.92Å; I299-L347 HydrophobicContact CD1-CB 3.8Å; I299-L347 HydrophobicContact CD1-CD1 3.73Å; I299-L347 HydrophobicContact CD1-CG 4.42Å; I299-L347 HydrophobicContact CG1-CD1 4.38Å; I299-L347 HydrophobicContact CG2-CD1 4.28Å
300L93.6Very high92.6Very high15 Ų1534.9 Ų34.98%0.07919%0.186CC..Hα-helixtrans-60.8-27.8177.4-177.662000112.7Y296 Q297 Q340 K341 A344 T364Y296-L300 HydrophobicContact CE1-CD2 3.92Å; Y296-L300 WeakPolarHBondContact O-CB 3.5Å; Y296-L300 PolarHBondContact O-N 3.12Å; Q297-L300 PolarHBondContact O-N 3.42Å; L300-Q340 HydrophobicContact CD1-CB 4.35Å; L300-Q340 WeakPolarHBondContact O-CB 3.4Å; L300-K341 HydrophobicContact CD1-CB 4.31Å; L300-K341 HydrophobicContact CD1-CG 3.46Å; L300-K341 VanDerWaalsContact CD1-CG 3.46Å; L300-A344 HydrophobicContact CB-CB 4.15Å; L300-T364 HydrophobicContact CD2-CG2 4.26Å
301N90.9Very high92.7Very high46 Ų4634.7 Ų34.725%0.24619%0.185CC..THydrogen-bonded Turntrans-98.812.5180-69.5-59.3000113.6Q297 K298 I299 R337Q297-N301 WeakPolarHBondContact O-CB 3.42Å; Q297-N301 PolarHBondContact O-N 2.91Å; Q297-N301 PolarHBondContact O-ND2 2.6Å; Q297-N301 PolarHBondContact OE1-ND2 3.19Å; K298-N301 PolarHBondContact O-N 2.91Å; I299-N301 PolarHBondContact O-N 3.26Å; N301-R337 PolarHBondContact OD1-NH1 2.93Å
302L89.8Confident92.7Very high7 Ų731.6 Ų31.64%0.03717%0.172CC..  trans-56.6136.2170.7-73.5171.9000110.4M280 K298 I299 I306 I307 Q340M280-L302 HydrophobicContact SD-CD2 4.12Å; K298-L302 PolarHBondContact O-N 3.32Å; I299-L302 HydrophobicContact CG2-CD1 4.03Å; I299-L302 WeakPolarHBondContact O-CB 3.33Å; I299-L302 VanDerWaalsContact O-CG 3.26Å; I299-L302 WeakPolarHBondContact O-CG 3.26Å; I299-L302 PolarHBondContact O-N 3.27Å; I299-L302 VanDerWaalsContact O-N 3.13Å; L302-I306 HydrophobicContact CB-CG2 3.96Å; L302-I306 HydrophobicContact CD2-CG2 4.37Å; L302-I307 HydrophobicContact CB-CD1 4.47Å; L302-Q340 HydrophobicContact CB-CG 4.34Å; L302-Q340 PolarHBondContact O-NE2 3.44Å
303P88.6Confident92.6Very high38 Ų3832.5 Ų32.525%0.24718%0.175CC..  trans-69.8146.3-176.630.3-34.1000110.1M280 S305 I306M280-P303 HydrophobicContact CE-CG 4.44Å; P303-S305 PolarHBondContact O-N 3.05Å; P303-I306 HydrophobicContact CG-CB 4.39Å; P303-I306 HydrophobicContact CG-CG2 4.32Å; P303-I306 VanDerWaalsContact O-CG2 3.28Å; P303-I306 WeakPolarHBondContact O-CG2 3.46Å; P303-I306 PolarHBondContact O-N 2.99Å
304D90.4Very high92.4Very high79 Ų7932.7 Ų32.742%0.42218%0.176SC..G310 helixtrans-56.4-27.1179.5-68.6-19.4000112.4I306 I307 H330 Q340D304-I306 PolarHBondContact O-N 2.92Å; D304-I307 WeakPolarHBondContact O-CB 3.41Å; D304-I307 PolarHBondContact O-N 2.96Å; D304-H330 IonicContact OD1-CE1 3.49Å; D304-H330 PolarHBondContact OD1-CE1 3.1Å; D304-H330 VanDerWaalsContact OD1-CE1 3.24Å; D304-H330 IonicContact OD1-NE2 2.67Å; D304-H330 PolarHBondContact OD1-NE2 3.17Å; D304-Q340 PolarHBondContact OD1-NE2 3.06Å
305S89.1Confident92.5Very high80 Ų8030 Ų3056%0.55916%0.162SC*.G310 helixtrans-62.8-22.3178.1610000114.7P303P303-S305 PolarHBondContact O-N 3.05Å
306I88.2Confident92.4Very high16 Ų1630 Ų308%0.08216%0.162CC..G310 helixtrans-91.3-17.1175.8-151.5172000112.7L269 L302 P303 D304 S308 L311L269-I306 HydrophobicContact CD1-CD1 3.27Å; L269-I306 HydrophobicContact CD2-CD1 3.66Å; L269-I306 HydrophobicContact CG-CD1 3.8Å; L302-I306 HydrophobicContact CB-CG2 3.96Å; L302-I306 HydrophobicContact CD2-CG2 4.37Å; P303-I306 HydrophobicContact CG-CB 4.39Å; P303-I306 HydrophobicContact CG-CG2 4.32Å; P303-I306 VanDerWaalsContact O-CG2 3.28Å; P303-I306 WeakPolarHBondContact O-CG2 3.46Å; P303-I306 PolarHBondContact O-N 2.99Å; D304-I306 PolarHBondContact O-N 2.92Å; I306-S308 PolarHBondContact O-N 3.19Å; I306-S308 VanDerWaalsContact O-N 3.15Å; I306-S308 PolarHBondContact O-OG 2.94Å; I306-L311 HydrophobicContact CG2-CD2 4.08Å; I306-L311 WeakPolarHBondContact O-CD2 3.49Å
307I91.6Very high92.3Very high23 Ų2329.8 Ų29.812%0.11816%0.161CC..  trans-70.2114-176.2-55.7-56000109L302 D304 L311 L327 V339 Q340 L343L302-I307 HydrophobicContact CB-CD1 4.47Å; D304-I307 WeakPolarHBondContact O-CB 3.41Å; D304-I307 PolarHBondContact O-N 2.96Å; I307-L311 HydrophobicContact CD1-CD2 4.07Å; I307-L327 HydrophobicContact CG2-CD2 4.21Å; I307-V339 HydrophobicContact CD1-CG1 4.27Å; I307-V339 HydrophobicContact CG2-CB 3.78Å; I307-V339 HydrophobicContact CG2-CG1 3.58Å; I307-V339 HydrophobicContact CG2-CG2 4.09Å; I307-Q340 HydrophobicContact CD1-CG 3.87Å; I307-Q340 HydrophobicContact CG1-CG 4.43Å; I307-L343 HydrophobicContact CD1-CD1 4.24Å
308S92.3Very high92.3Very high48 Ų4829.5 Ų29.534%0.33616%0.159SC..  trans-147.3157.4-176.858.70000110.4I306 K310 L311 V312I306-S308 PolarHBondContact O-N 3.19Å; I306-S308 VanDerWaalsContact O-N 3.15Å; I306-S308 PolarHBondContact O-OG 2.94Å; S308-K310 PolarHBondContact O-N 3.04Å; S308-L311 WeakPolarHBondContact O-CB 3.38Å; S308-L311 PolarHBondContact O-N 3.4Å; S308-L311 VanDerWaalsContact O-N 3.14Å; S308-L311 WeakPolarHBondContact OG-CB 3.21Å; S308-L311 PolarHBondContact OG-N 2.92Å; S308-V312 WeakPolarHBondContact O-CG2 3.37Å; S308-V312 PolarHBondContact O-N 3.43Å; S308-V312 VanDerWaalsContact O-N 3.15Å
309D93.6Very high92.3Very high58 Ų5827.3 Ų27.331%0.3115%0.152SC..Hα-helixtrans-50-47.5171.6172.377.2000112L311 V312 R313 I323 L327D309-L311 PolarHBondContact O-N 3.42Å; D309-V312 PolarHBondContact O-N 3.18Å; D309-R313 WeakPolarHBondContact O-CB 3.37Å; D309-R313 WeakPolarHBondContact O-CG 3.35Å; D309-R313 PolarHBondContact O-N 3.48Å; D309-R313 IonicContact OD1-CZ 2.75Å; D309-R313 VanDerWaalsContact OD1-CZ 3.22Å; D309-R313 IonicContact OD1-NE 3.98Å; D309-R313 PolarHBondContact OD1-NE 2.66Å; D309-R313 IonicContact OD1-NH2 3.22Å; D309-R313 PolarHBondContact OD1-NH2 3.31Å; D309-R313 WeakPolarHBondContact OD2-CD 3.38Å; D309-R313 IonicContact OD2-CZ 3.28Å; D309-R313 IonicContact OD2-NE 2.79Å; D309-R313 PolarHBondContact OD2-NE 2.97Å; D309-R313 IonicContact OD2-NH2 3.77Å; D309-I323 WeakPolarHBondContact OD1-CG2 3.48Å; D309-L327 HydrophobicContact CB-CD1 3.68Å
310K91.9Very high92.2Very high105 Ų10528.6 Ų28.646%0.45716%0.161SC..Hα-helixtrans-54.6-49.6175.6-172175.6176.7-179.10112.8P259 S308 V312 R313 Q314P259-K310 HydrophobicContact CB-CD 4.27Å; P259-K310 HydrophobicContact CB-CG 4.46Å; P259-K310 HydrophobicContact CG-CD 4.24Å; P259-K310 HydrophobicContact CG-CG 4.02Å; S308-K310 PolarHBondContact O-N 3.04Å; K310-V312 PolarHBondContact O-N 3.02Å; K310-R313 PolarHBondContact O-N 3.32Å; K310-Q314 WeakPolarHBondContact O-CB 3.43Å; K310-Q314 WeakPolarHBondContact O-CG 3.49Å; K310-Q314 PolarHBondContact O-N 2.92Å; K310-Q314 PolarHBondContact O-OE1 3.14Å
311L92.4Very high92.1Very high6 Ų634.4 Ų34.43%0.03119%0.191CC..Hα-helixtrans-58.4-47.6178.8-179.372.5000111.5L261 I306 I307 S308 D309 Q314 L315 L343L261-L311 HydrophobicContact CD2-CD1 3.56Å; I306-L311 HydrophobicContact CG2-CD2 4.08Å; I306-L311 WeakPolarHBondContact O-CD2 3.49Å; I307-L311 HydrophobicContact CD1-CD2 4.07Å; S308-L311 WeakPolarHBondContact O-CB 3.38Å; S308-L311 PolarHBondContact O-N 3.4Å; S308-L311 VanDerWaalsContact O-N 3.14Å; S308-L311 WeakPolarHBondContact OG-CB 3.21Å; S308-L311 PolarHBondContact OG-N 2.92Å; D309-L311 PolarHBondContact O-N 3.42Å; L311-Q314 PolarHBondContact O-N 2.93Å; L311-L315 HydrophobicContact CD1-CD1 3.56Å; L311-L315 HydrophobicContact CG-CD1 4.21Å; L311-L315 WeakPolarHBondContact O-CB 3.5Å; L311-L315 PolarHBondContact O-N 3.06Å; L311-L315 VanDerWaalsContact O-N 3.16Å; L311-L343 HydrophobicContact CD2-CD1 3.84Å; L311-L343 HydrophobicContact CG-CD1 4.37Å
312V95Very high92.2Very high1 Ų134 Ų341%0.00619%0.188CC..Hα-helixtrans-66.8-44.8-177.7-175.80000110.7S308 D309 K310 Q314 L315 T316 F318 I323 L327 V339S308-V312 WeakPolarHBondContact O-CG2 3.37Å; S308-V312 PolarHBondContact O-N 3.43Å; S308-V312 VanDerWaalsContact O-N 3.15Å; D309-V312 PolarHBondContact O-N 3.18Å; K310-V312 PolarHBondContact O-N 3.02Å; V312-Q314 VanDerWaalsContact C-N 3.31Å; V312-Q314 PolarHBondContact O-N 3.37Å; V312-L315 PolarHBondContact O-N 2.83Å; V312-T316 HydrophobicContact CG1-CG2 4.17Å; V312-T316 WeakPolarHBondContact O-CB 3.5Å; V312-T316 PolarHBondContact O-N 3.34Å; V312-T316 PolarHBondContact O-OG1 3.39Å; V312-F318 HydrophobicContact CG1-CD2 4.16Å; V312-I323 HydrophobicContact CB-CG2 4.18Å; V312-I323 HydrophobicContact CG1-CB 4.49Å; V312-I323 HydrophobicContact CG1-CD1 4.22Å; V312-I323 HydrophobicContact CG1-CG1 3.82Å; V312-I323 HydrophobicContact CG1-CG2 4.17Å; V312-L327 HydrophobicContact CG2-CD2 4.43Å; V312-V339 HydrophobicContact CG2-CG1 3.5Å; V312-V339 VanDerWaalsContact CG2-CG1 3.5Å
313R94.1Very high92.5Very high20 Ų2033.7 Ų33.78%0.07519%0.187CC..Hα-helixtrans-58-42.4175.7-74.8-178.3-166.1-77.7-20.7112N33 Y35 R83 D309 K310 I323 D324N33-R313 WeakPolarHBondContact O-CD 3.34Å; N33-R313 PolarHBondContact O-NH1 2.99Å; Y35-R313 HydrophobicContact CD1-CB 3.86Å; Y35-R313 HydrophobicContact CD1-CG 4.29Å; Y35-R313 VanDerWaalsContact CD1-O 3.28Å; Y35-R313 WeakPolarHBondContact CD1-O 3.46Å; Y35-R313 HydrophobicContact CE1-CB 4.08Å; Y35-R313 HydrophobicContact CE1-CG 4.12Å; Y35-R313 HydrophobicContact CG-CB 4.45Å; R83-R313 PolarHBondContact NH2-O 3.24Å; D309-R313 WeakPolarHBondContact O-CB 3.37Å; D309-R313 WeakPolarHBondContact O-CG 3.35Å; D309-R313 PolarHBondContact O-N 3.48Å; D309-R313 IonicContact OD1-CZ 2.75Å; D309-R313 VanDerWaalsContact OD1-CZ 3.22Å; D309-R313 IonicContact OD1-NE 3.98Å; D309-R313 PolarHBondContact OD1-NE 2.66Å; D309-R313 IonicContact OD1-NH2 3.22Å; D309-R313 PolarHBondContact OD1-NH2 3.31Å; D309-R313 WeakPolarHBondContact OD2-CD 3.38Å; D309-R313 IonicContact OD2-CZ 3.28Å; D309-R313 IonicContact OD2-NE 2.79Å; D309-R313 PolarHBondContact OD2-NE 2.97Å; D309-R313 IonicContact OD2-NH2 3.77Å; K310-R313 PolarHBondContact O-N 3.32Å; R313-I323 HydrophobicContact CB-CD1 4.29Å; R313-I323 HydrophobicContact CG-CD1 3.46Å; R313-I323 VanDerWaalsContact CG-CD1 3.46Å; R313-D324 IonicContact NH2-OD1 3.9Å
314Q92.5Very high92.8Very high8 Ų835.7 Ų35.74%0.03720%0.195CC..Hα-helixtrans-67.9-40.7-178-75.5177.3-74.300113.3V76 C79 R83 P259 K310 L311 V312V76-Q314 HydrophobicContact CG1-CB 4.08Å; V76-Q314 HydrophobicContact CG1-CG 4.23Å; C79-Q314 VanDerWaalsContact CB-O 3.29Å; C79-Q314 WeakPolarHBondContact CB-O 3.49Å; R83-Q314 PolarHBondContact NH2-O 2.87Å; P259-Q314 HydrophobicContact CG-CG 3.92Å; P259-Q314 PolarHBondContact O-NE2 2.93Å; K310-Q314 WeakPolarHBondContact O-CB 3.43Å; K310-Q314 WeakPolarHBondContact O-CG 3.49Å; K310-Q314 PolarHBondContact O-N 2.92Å; K310-Q314 PolarHBondContact O-OE1 3.14Å; L311-Q314 PolarHBondContact O-N 2.93Å; V312-Q314 VanDerWaalsContact C-N 3.31Å; V312-Q314 PolarHBondContact O-N 3.37Å
315L94.6Very high93Very high3 Ų336.5 Ų36.52%0.01620%0.196CC..Hα-helixtrans-102.1-9-167-73.9174.3000114.6L72 V76 L261 L311 V312 L343 L347L72-L315 HydrophobicContact CD1-CD1 4.38Å; L72-L315 HydrophobicContact CD1-CD2 4.07Å; V76-L315 HydrophobicContact CG2-CD2 3.77Å; V76-L315 HydrophobicContact CG2-CG 4.33Å; L261-L315 HydrophobicContact CD1-CD1 4.28Å; L261-L315 HydrophobicContact CD2-CD1 4.25Å; L311-L315 HydrophobicContact CD1-CD1 3.56Å; L311-L315 HydrophobicContact CG-CD1 4.21Å; L311-L315 WeakPolarHBondContact O-CB 3.5Å; L311-L315 PolarHBondContact O-N 3.06Å; L311-L315 VanDerWaalsContact O-N 3.16Å; V312-L315 PolarHBondContact O-N 2.83Å; L315-L343 HydrophobicContact CB-CD2 4.12Å; L315-L347 HydrophobicContact CB-CD1 4.36Å; L315-L347 HydrophobicContact CB-CD2 4.08Å; L315-L347 HydrophobicContact CD1-CD1 4.21Å; L315-L347 HydrophobicContact CD2-CD2 4.26Å; L315-L347 WeakPolarHBondContact O-CD2 3.32Å
316T94.7Very high93.3Very high1 Ų133.5 Ų33.51%0.00617%0.174CC..  trans-129.6157-177.373.30000113.1R83 V312 F318 L343 E346R83-T316 VanDerWaalsContact CZ-O 3.23Å; R83-T316 PolarHBondContact NH1-O 3.03Å; R83-T316 PolarHBondContact NH2-O 3.01Å; V312-T316 HydrophobicContact CG1-CG2 4.17Å; V312-T316 WeakPolarHBondContact O-CB 3.5Å; V312-T316 PolarHBondContact O-N 3.34Å; V312-T316 PolarHBondContact O-OG1 3.39Å; T316-F318 VanDerWaalsContact C-N 3.3Å; T316-F318 HydrophobicContact CG2-CD2 3.96Å; T316-F318 HydrophobicContact CG2-CE2 3.9Å; T316-F318 PolarHBondContact O-N 3.06Å; T316-F318 WeakPolarHBondContact OG1-CD2 3.34Å; T316-L343 HydrophobicContact CG2-CD2 3.56Å; T316-E346 HydrophobicContact CG2-CB 4.31Å; T316-E346 HydrophobicContact CG2-CG 4.42Å
317F94.5Very high93.7Very high3 Ų333.8 Ų33.81%0.01318%0.175CC..  trans-9218.6176.2-63.2-83.5000113.5Y21 H22 L82 R83 L86 Y138 I142 L350Y21-F317 VanDerWaalsContact CA-O 3.29Å; Y21-F317 WeakPolarHBondContact CA-O 3.41Å; Y21-F317 HydrophobicContact CD1-CB 4.07Å; Y21-F317 HydrophobicContact CE1-CB 4.31Å; Y21-F317 HydrophobicContact CG-CB 4.46Å; H22-F317 PolarHBondContact N-O 2.92Å; L82-F317 HydrophobicContact CB-CE1 4.01Å; L82-F317 HydrophobicContact CB-CZ 3.76Å; L82-F317 HydrophobicContact CD1-CZ 3.94Å; R83-F317 HydrophobicContact CG-CD1 4.36Å; R83-F317 HydrophobicContact CG-CE1 4.08Å; L86-F317 HydrophobicContact CD1-CD1 3.63Å; L86-F317 HydrophobicContact CD1-CE1 3.89Å; Y138-F317 HydrophobicContact CD2-CZ 4.37Å; Y138-F317 HydrophobicContact CE2-CZ 4.34Å; I142-F317 HydrophobicContact CG2-CB 4.4Å; I142-F317 HydrophobicContact CG2-CD2 3.66Å; I142-F317 HydrophobicContact CG2-CE2 4.07Å; I142-F317 HydrophobicContact CG2-CG 4.02Å; F317-L350 HydrophobicContact CE2-CD2 4.29Å
318F94.3Very high93.9Very high9 Ų935.6 Ų35.64%0.03919%0.188CC..BIsolated β-bridgetrans-67.5146.8177.4-60.7-40.1000112.2Y21 Y35 V312 T316 E322 I323 L326 A342 E346Y21-F318 AromaticContact CD1-CD1 3.8Å; Y21-F318 HydrophobicContact CD1-CD1 3.8Å; Y21-F318 HydrophobicContact CD1-CE1 4.03Å; Y21-F318 HydrophobicContact CE1-CD1 4Å; Y21-F318 AromaticContact CE1-CE1 3.79Å; Y21-F318 HydrophobicContact CE1-CE1 3.79Å; Y35-F318 PolarHBondContact OH-O 2.7Å; V312-F318 HydrophobicContact CG1-CD2 4.16Å; T316-F318 VanDerWaalsContact C-N 3.3Å; T316-F318 HydrophobicContact CG2-CD2 3.96Å; T316-F318 HydrophobicContact CG2-CE2 3.9Å; T316-F318 PolarHBondContact O-N 3.06Å; T316-F318 WeakPolarHBondContact OG1-CD2 3.34Å; F318-E322 HydrophobicContact CB-CB 4.14Å; F318-E322 HydrophobicContact CB-CG 3.95Å; F318-E322 HydrophobicContact CD1-CG 4.01Å; F318-E322 HydrophobicContact CG-CG 3.92Å; F318-I323 HydrophobicContact CB-CD1 4.26Å; F318-I323 HydrophobicContact CB-CG1 3.74Å; F318-L326 HydrophobicContact CD2-CD1 3.65Å; F318-L326 HydrophobicContact CE2-CD1 3.69Å; F318-L326 HydrophobicContact CG-CD1 4.45Å; F318-A342 HydrophobicContact CE2-CB 4.07Å; F318-A342 HydrophobicContact CZ-CB 4.4Å; F318-E346 HydrophobicContact CE1-CG 4.12Å; F318-E346 HydrophobicContact CE2-CG 3.93Å; F318-E346 HydrophobicContact CZ-CG 3.39Å
319G91.5Very high94.1Very high7 Ų735.5 Ų35.57%0.07218%0.184CC..  trans-74.5165.4171.500000113.2N20 D321 E322 I323N20-G319 PolarHBondContact O-N 3.42Å; G319-D321 PolarHBondContact O-N 3.37Å; G319-E322 PolarHBondContact O-N 3.13Å; G319-I323 WeakPolarHBondContact O-CG1 3.31Å; G319-I323 PolarHBondContact O-N 3.11Å
320P91.7Very high94.1Very high28 Ų2833.4 Ų33.418%0.18217%0.172CC..Hα-helixtrans-53.2-47.5-179.3-26.835.4000113.5E322 I323 D324P320-E322 VanDerWaalsContact C-N 3.34Å; P320-E322 PolarHBondContact O-N 3Å; P320-I323 PolarHBondContact O-N 3.38Å; P320-I323 VanDerWaalsContact O-N 3.16Å; P320-D324 PolarHBondContact O-N 3.2Å
321D92.3Very high94.3Very high136 Ų13636.6 Ų36.673%0.72719%0.186SC*.Hα-helixtrans-61.9-39.6-178.5-57.1-23.9000112.7G319 D324 Q325G319-D321 PolarHBondContact O-N 3.37Å; D321-D324 PolarHBondContact O-N 3.4Å; D321-Q325 WeakPolarHBondContact O-CB 2.98Å; D321-Q325 PolarHBondContact O-N 3.04Å
322E93.7Very high94.4Very high39 Ų3942.7 Ų42.718%0.18221%0.212CC..Hα-helixtrans-67.4-40.5177.2-178.465.1-165.500111N20 F318 G319 P320 Q325 L326N20-E322 HydrophobicContact CB-CB 3.87Å; N20-E322 HydrophobicContact CB-CG 4Å; N20-E322 WeakPolarHBondContact CB-OE2 3.31Å; N20-E322 PolarHBondContact ND2-OE2 2.99Å; F318-E322 HydrophobicContact CB-CB 4.14Å; F318-E322 HydrophobicContact CB-CG 3.95Å; F318-E322 HydrophobicContact CD1-CG 4.01Å; F318-E322 HydrophobicContact CG-CG 3.92Å; G319-E322 PolarHBondContact O-N 3.13Å; P320-E322 VanDerWaalsContact C-N 3.34Å; P320-E322 PolarHBondContact O-N 3Å; E322-Q325 PolarHBondContact O-N 2.8Å; E322-L326 HydrophobicContact CG-CD1 4.12Å; E322-L326 HydrophobicContact CG-CG 4.48Å; E322-L326 WeakPolarHBondContact O-CB 3.37Å; E322-L326 VanDerWaalsContact O-CG 3.22Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 2.82Å
323I94.8Very high94.3Very high0 Ų046.1 Ų46.10%023%0.228CC..Hα-helixtrans-63.7-46.5176.5-65.9176.6000110Y35 D309 V312 R313 F318 G319 P320 Q325 L326 L327Y35-I323 HydrophobicContact CE1-CD1 4.35Å; D309-I323 WeakPolarHBondContact OD1-CG2 3.48Å; V312-I323 HydrophobicContact CB-CG2 4.18Å; V312-I323 HydrophobicContact CG1-CB 4.49Å; V312-I323 HydrophobicContact CG1-CD1 4.22Å; V312-I323 HydrophobicContact CG1-CG1 3.82Å; V312-I323 HydrophobicContact CG1-CG2 4.17Å; R313-I323 HydrophobicContact CB-CD1 4.29Å; R313-I323 HydrophobicContact CG-CD1 3.46Å; R313-I323 VanDerWaalsContact CG-CD1 3.46Å; F318-I323 HydrophobicContact CB-CD1 4.26Å; F318-I323 HydrophobicContact CB-CG1 3.74Å; G319-I323 WeakPolarHBondContact O-CG1 3.31Å; G319-I323 PolarHBondContact O-N 3.11Å; P320-I323 PolarHBondContact O-N 3.38Å; P320-I323 VanDerWaalsContact O-N 3.16Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 3.32Å; I323-L326 PolarHBondContact O-N 3.26Å; I323-L327 HydrophobicContact CG2-CD1 3.75Å; I323-L327 HydrophobicContact CG2-CG 4.37Å; I323-L327 WeakPolarHBondContact O-CB 3.14Å; I323-L327 VanDerWaalsContact O-CG 3.23Å; I323-L327 WeakPolarHBondContact O-CG 2.84Å; I323-L327 PolarHBondContact O-N 3.28Å
324D95.2Very high94.1Very high79 Ų7947.8 Ų47.842%0.42224%0.241SC..Hα-helixtrans-61.8-41.3178.5-71-19.1000111.6R313 P320 D321 T328R313-D324 IonicContact NH2-OD1 3.9Å; P320-D324 PolarHBondContact O-N 3.2Å; D321-D324 PolarHBondContact O-N 3.4Å; D324-T328 VanDerWaalsContact O-CB 3.26Å; D324-T328 WeakPolarHBondContact O-CB 3.04Å; D324-T328 PolarHBondContact O-N 3.29Å; D324-T328 PolarHBondContact O-OG1 3.33Å
325Q95.5Very high93.9Very high96 Ų9652 Ų5245%0.44926%0.264SS..Hα-helixtrans-64.5-49.4175.4-174.359.448.900111.6D321 E322 I323 L327 T328 D329D321-Q325 WeakPolarHBondContact O-CB 2.98Å; D321-Q325 PolarHBondContact O-N 3.04Å; E322-Q325 PolarHBondContact O-N 2.8Å; I323-Q325 VanDerWaalsContact C-N 3.32Å; I323-Q325 PolarHBondContact O-N 3.32Å; Q325-L327 VanDerWaalsContact C-N 3.31Å; Q325-L327 PolarHBondContact O-N 3.04Å; Q325-T328 PolarHBondContact O-N 3.37Å; Q325-D329 PolarHBondContact NE2-OD1 2.92Å; Q325-D329 PolarHBondContact NE2-OD2 3.32Å; Q325-D329 PolarHBondContact O-N 3.47Å
326L95.4Very high93.7Very high17 Ų1758 Ų589%0.08929%0.286CS..Hα-helixtrans-57.1-44.1178.1-76.8171000111.8F318 E322 I323 H330 I338 V339 A342F318-L326 HydrophobicContact CD2-CD1 3.65Å; F318-L326 HydrophobicContact CE2-CD1 3.69Å; F318-L326 HydrophobicContact CG-CD1 4.45Å; E322-L326 HydrophobicContact CG-CD1 4.12Å; E322-L326 HydrophobicContact CG-CG 4.48Å; E322-L326 WeakPolarHBondContact O-CB 3.37Å; E322-L326 VanDerWaalsContact O-CG 3.22Å; E322-L326 WeakPolarHBondContact O-CG 3.48Å; E322-L326 PolarHBondContact O-N 2.82Å; I323-L326 PolarHBondContact O-N 3.26Å; L326-H330 WeakPolarHBondContact O-CB 3.31Å; L326-H330 PolarHBondContact O-N 2.63Å; L326-I338 HydrophobicContact CD2-CG2 3.8Å; L326-V339 HydrophobicContact CB-CG2 4.11Å; L326-V339 WeakPolarHBondContact O-CG2 3.25Å; L326-A342 HydrophobicContact CD1-CB 4.3Å; L326-A342 HydrophobicContact CD2-CB 4.29Å
327L96.1Very high93.6Very high22 Ų2262.8 Ų62.812%0.11530%0.304CS..Hα-helixtrans-69.4-39.6178.5-68.2168000112I307 D309 V312 I323 Q325 H330 K331 V339I307-L327 HydrophobicContact CG2-CD2 4.21Å; D309-L327 HydrophobicContact CB-CD1 3.68Å; V312-L327 HydrophobicContact CG2-CD2 4.43Å; I323-L327 HydrophobicContact CG2-CD1 3.75Å; I323-L327 HydrophobicContact CG2-CG 4.37Å; I323-L327 WeakPolarHBondContact O-CB 3.14Å; I323-L327 VanDerWaalsContact O-CG 3.23Å; I323-L327 WeakPolarHBondContact O-CG 2.84Å; I323-L327 PolarHBondContact O-N 3.28Å; Q325-L327 VanDerWaalsContact C-N 3.31Å; Q325-L327 PolarHBondContact O-N 3.04Å; L327-H330 PolarHBondContact O-N 3.06Å; L327-K331 WeakPolarHBondContact O-CB 3.4Å; L327-K331 WeakPolarHBondContact O-CG 3.38Å; L327-K331 PolarHBondContact O-N 2.81Å; L327-V339 HydrophobicContact CD2-CG2 4.21Å
328T96.7Very high93.6Very high61 Ų6164.5 Ų64.537%0.37431%0.313SS..Hα-helixtrans-62.1-46.4176.4-64.20000110.9D324 Q325 K331 K332D324-T328 VanDerWaalsContact O-CB 3.26Å; D324-T328 WeakPolarHBondContact O-CB 3.04Å; D324-T328 PolarHBondContact O-N 3.29Å; D324-T328 PolarHBondContact O-OG1 3.33Å; Q325-T328 PolarHBondContact O-N 3.37Å; T328-K331 PolarHBondContact O-N 3.26Å; T328-K332 HydrophobicContact CG2-CD 4.47Å; T328-K332 WeakPolarHBondContact O-CG 3.35Å; T328-K332 PolarHBondContact O-N 2.97Å; T328-K332 VanDerWaalsContact O-N 3.09Å
329D95Very high93.7Very high47 Ų4764.1 Ų64.125%0.25131%0.312SS..Hα-helixtrans-69-37.4179-69.3-22.3000112Q325 K332 H333 I338Q325-D329 PolarHBondContact NE2-OD1 2.92Å; Q325-D329 PolarHBondContact NE2-OD2 3.32Å; Q325-D329 PolarHBondContact O-N 3.47Å; D329-K332 PolarHBondContact O-N 2.96Å; D329-H333 PolarHBondContact O-N 3.45Å; D329-I338 HydrophobicContact CB-CD1 3.66Å
330H94.6Very high93.9Very high13 Ų1363.8 Ų63.86%0.0631%0.308CS..Hα-helixtrans-63-41.4174.2-178.469.4000112D304 L326 L327 K332 H333 P334 I338 V339 Q340D304-H330 IonicContact OD1-CE1 3.49Å; D304-H330 PolarHBondContact OD1-CE1 3.1Å; D304-H330 VanDerWaalsContact OD1-CE1 3.24Å; D304-H330 IonicContact OD1-NE2 2.67Å; D304-H330 PolarHBondContact OD1-NE2 3.17Å; L326-H330 WeakPolarHBondContact O-CB 3.31Å; L326-H330 PolarHBondContact O-N 2.63Å; L327-H330 PolarHBondContact O-N 3.06Å; H330-K332 VanDerWaalsContact C-N 3.33Å; H330-K332 PolarHBondContact O-N 3.22Å; H330-H333 CarbonylContact O-C 3.59Å; H330-H333 VanDerWaalsContact O-C 3.27Å; H330-H333 PolarHBondContact O-N 3.25Å; H330-P334 VanDerWaalsContact O-CA 3.23Å; H330-P334 WeakPolarHBondContact O-CA 3.35Å; H330-P334 WeakPolarHBondContact O-CD 3.38Å; H330-I338 HydrophobicContact CB-CB 4.48Å; H330-V339 HydrophobicContact CB-CB 4.42Å; H330-V339 HydrophobicContact CB-CG2 3.62Å; H330-Q340 PolarHBondContact CE1-OE1 3.15Å; H330-Q340 PolarHBondContact ND1-OE1 2.84Å
331K94.7Very high94.1Very high173 Ų17366.6 Ų66.675%0.75232%0.317SS*.Hα-helixtrans-62.5-37.8173.8-75.5176.7-178.4178.70112.5L327 T328L327-K331 WeakPolarHBondContact O-CB 3.4Å; L327-K331 WeakPolarHBondContact O-CG 3.38Å; L327-K331 PolarHBondContact O-N 2.81Å; T328-K331 PolarHBondContact O-N 3.26Å
332K95.2Very high94.2Very high134 Ų13460.8 Ų60.858%0.58329%0.289SS*.Hα-helixtrans-71-35.5176.8-71.2174.1-177.4172.50112.6T328 D329 H330T328-K332 HydrophobicContact CG2-CD 4.47Å; T328-K332 WeakPolarHBondContact O-CG 3.35Å; T328-K332 PolarHBondContact O-N 2.97Å; T328-K332 VanDerWaalsContact O-N 3.09Å; D329-K332 PolarHBondContact O-N 2.96Å; H330-K332 VanDerWaalsContact C-N 3.33Å; H330-K332 PolarHBondContact O-N 3.22Å
333H92.6Very high94.4Very high73 Ų7359 Ų5934%0.33828%0.28SS..  trans-137.965.9-173.2-57.3-57.9000112.3D329 H330 N335 R336 I338D329-H333 PolarHBondContact O-N 3.45Å; H330-H333 CarbonylContact O-C 3.59Å; H330-H333 VanDerWaalsContact O-C 3.27Å; H330-H333 PolarHBondContact O-N 3.25Å; H333-N335 VanDerWaalsContact C-N 3.26Å; H333-N335 PolarHBondContact O-N 3.27Å; H333-R336 HydrophobicContact CB-CB 4.19Å; H333-R336 HydrophobicContact CB-CG 3.91Å; H333-R336 WeakPolarHBondContact O-CB 3.5Å; H333-R336 PolarHBondContact O-N 2.99Å; H333-I338 HydrophobicContact CB-CD1 4.49Å
334P89.7Confident94.5Very high54 Ų5459 Ų5935%0.35128%0.28SS..G310 helixtrans-61.1-36.3-175.622.5-33.1000112H330 R336 R337H330-P334 VanDerWaalsContact O-CA 3.23Å; H330-P334 WeakPolarHBondContact O-CA 3.35Å; H330-P334 WeakPolarHBondContact O-CD 3.38Å; P334-R336 PolarHBondContact O-N 3.32Å; P334-R336 VanDerWaalsContact O-N 3.09Å; P334-R337 PolarHBondContact O-N 3.37Å
335N89.7Confident94.5Very high96 Ų9660.1 Ų60.151%0.51328%0.278SS..G310 helixtrans-56.6-25.8174.765.4-40.7000113.8H333 R337 N374H333-N335 VanDerWaalsContact C-N 3.26Å; H333-N335 PolarHBondContact O-N 3.27Å; N335-R337 VanDerWaalsContact C-N 3.3Å; N335-N374 PolarHBondContact ND2-OD1 3.03Å
336R90.2Very high94.6Very high131 Ų13156 Ų5649%0.49426%0.259SS..G310 helixtrans-78.4-14177.4-66.8-174.3179-176.6-0.5113.4H333 P334 I338 K341H333-R336 HydrophobicContact CB-CB 4.19Å; H333-R336 HydrophobicContact CB-CG 3.91Å; H333-R336 WeakPolarHBondContact O-CB 3.5Å; H333-R336 PolarHBondContact O-N 2.99Å; P334-R336 PolarHBondContact O-N 3.32Å; P334-R336 VanDerWaalsContact O-N 3.09Å; R336-I338 VanDerWaalsContact C-N 3.31Å; R336-I338 HydrophobicContact CB-CD1 4.28Å; R336-I338 HydrophobicContact CB-CG1 3.86Å; R336-I338 PolarHBondContact O-N 2.9Å; R336-K341 WeakPolarHBondContact O-CE 3.49Å; R336-K341 PolarHBondContact O-NZ 2.9Å
337R92.2Very high94.7Very high100 Ų10055.3 Ų55.338%0.37726%0.255SS..  trans53.344.1178.2-63.3-176.7173-173.2-2.1113.5N301 P334 N335 V339 Q340 K341N301-R337 PolarHBondContact OD1-NH1 2.93Å; P334-R337 PolarHBondContact O-N 3.37Å; N335-R337 VanDerWaalsContact C-N 3.3Å; R337-V339 PolarHBondContact O-N 2.71Å; R337-Q340 VanDerWaalsContact CA-OE1 3.27Å; R337-Q340 HydrophobicContact CB-CB 4.24Å; R337-Q340 PolarHBondContact O-N 2.91Å; R337-K341 WeakPolarHBondContact O-CB 3.39Å; R337-K341 VanDerWaalsContact O-CG 3.31Å; R337-K341 WeakPolarHBondContact O-CG 3.49Å; R337-K341 PolarHBondContact O-N 3.39Å
338I94.2Very high94.8Very high40 Ų4054.2 Ų54.221%0.20525%0.25CS..Hα-helixtrans-59.1-51-170.9-63.5173.9000111.2L326 D329 H330 H333 R336 K341 A342L326-I338 HydrophobicContact CD2-CG2 3.8Å; D329-I338 HydrophobicContact CB-CD1 3.66Å; H330-I338 HydrophobicContact CB-CB 4.48Å; H333-I338 HydrophobicContact CB-CD1 4.49Å; R336-I338 VanDerWaalsContact C-N 3.31Å; R336-I338 HydrophobicContact CB-CD1 4.28Å; R336-I338 HydrophobicContact CB-CG1 3.86Å; R336-I338 PolarHBondContact O-N 2.9Å; I338-K341 PolarHBondContact O-N 3.12Å; I338-A342 PolarHBondContact O-N 3.49Å
339V96.2Very high94.8Very high1 Ų151.4 Ų51.41%0.00623%0.232CC..Hα-helixtrans-67.6-42.2179.9174.90000111.4I307 V312 L326 L327 H330 R337 K341 A342 L343I307-V339 HydrophobicContact CD1-CG1 4.27Å; I307-V339 HydrophobicContact CG2-CB 3.78Å; I307-V339 HydrophobicContact CG2-CG1 3.58Å; I307-V339 HydrophobicContact CG2-CG2 4.09Å; V312-V339 HydrophobicContact CG2-CG1 3.5Å; V312-V339 VanDerWaalsContact CG2-CG1 3.5Å; L326-V339 HydrophobicContact CB-CG2 4.11Å; L326-V339 WeakPolarHBondContact O-CG2 3.25Å; L327-V339 HydrophobicContact CD2-CG2 4.21Å; H330-V339 HydrophobicContact CB-CB 4.42Å; H330-V339 HydrophobicContact CB-CG2 3.62Å; R337-V339 PolarHBondContact O-N 2.71Å; V339-K341 VanDerWaalsContact C-N 3.33Å; V339-K341 PolarHBondContact O-N 3.19Å; V339-A342 WeakPolarHBondContact O-CB 3.41Å; V339-A342 PolarHBondContact O-N 3.19Å; V339-L343 HydrophobicContact CG1-CD1 3.85Å; V339-L343 HydrophobicContact CG1-CG 4.2Å; V339-L343 WeakPolarHBondContact O-CB 3.4Å; V339-L343 WeakPolarHBondContact O-CG 3.33Å; V339-L343 PolarHBondContact O-N 3.33Å
340Q95.8Very high94.9Very high0 Ų049.3 Ų49.30%022%0.221CC..Hα-helixtrans-61.8-40.3177.1-64.690.1-22.600112.3L300 L302 D304 I307 H330 R337 L343 A344L300-Q340 HydrophobicContact CD1-CB 4.35Å; L300-Q340 WeakPolarHBondContact O-CB 3.4Å; L302-Q340 HydrophobicContact CB-CG 4.34Å; L302-Q340 PolarHBondContact O-NE2 3.44Å; D304-Q340 PolarHBondContact OD1-NE2 3.06Å; I307-Q340 HydrophobicContact CD1-CG 3.87Å; I307-Q340 HydrophobicContact CG1-CG 4.43Å; H330-Q340 PolarHBondContact CE1-OE1 3.15Å; H330-Q340 PolarHBondContact ND1-OE1 2.84Å; R337-Q340 VanDerWaalsContact CA-OE1 3.27Å; R337-Q340 HydrophobicContact CB-CB 4.24Å; R337-Q340 PolarHBondContact O-N 2.91Å; Q340-L343 PolarHBondContact O-N 3.21Å; Q340-A344 VanDerWaalsContact O-CB 3.25Å; Q340-A344 WeakPolarHBondContact O-CB 3.39Å; Q340-A344 PolarHBondContact O-N 3.24Å
341K95.5Very high95.1Very high86 Ų8648.8 Ų48.837%0.37422%0.219SC..Hα-helixtrans-62.3-43.8174.3-76.5172.5178.2164.60111.3L300 R336 R337 I338 V339 A344 R345L300-K341 HydrophobicContact CD1-CB 4.31Å; L300-K341 HydrophobicContact CD1-CG 3.46Å; L300-K341 VanDerWaalsContact CD1-CG 3.46Å; R336-K341 WeakPolarHBondContact O-CE 3.49Å; R336-K341 PolarHBondContact O-NZ 2.9Å; R337-K341 WeakPolarHBondContact O-CB 3.39Å; R337-K341 VanDerWaalsContact O-CG 3.31Å; R337-K341 WeakPolarHBondContact O-CG 3.49Å; R337-K341 PolarHBondContact O-N 3.39Å; I338-K341 PolarHBondContact O-N 3.12Å; V339-K341 VanDerWaalsContact C-N 3.33Å; V339-K341 PolarHBondContact O-N 3.19Å; K341-A344 PolarHBondContact O-N 2.88Å; K341-R345 WeakPolarHBondContact O-CB 3.23Å; K341-R345 VanDerWaalsContact O-CG 3.27Å; K341-R345 WeakPolarHBondContact O-CG 3.31Å; K341-R345 PolarHBondContact O-N 2.75Å
342A95.6Very high95.2Very high15 Ų1541 Ų4112%0.12419%0.185CC..Hα-helixtrans-60.8-51.217600000110.8F318 L326 I338 V339 A344 R345 E346F318-A342 HydrophobicContact CE2-CB 4.07Å; F318-A342 HydrophobicContact CZ-CB 4.4Å; L326-A342 HydrophobicContact CD1-CB 4.3Å; L326-A342 HydrophobicContact CD2-CB 4.29Å; I338-A342 PolarHBondContact O-N 3.49Å; V339-A342 WeakPolarHBondContact O-CB 3.41Å; V339-A342 PolarHBondContact O-N 3.19Å; A342-A344 PolarHBondContact O-N 2.92Å; A342-R345 PolarHBondContact O-N 3.23Å; A342-E346 WeakPolarHBondContact O-CB 3.36Å; A342-E346 VanDerWaalsContact O-CG 3.28Å; A342-E346 WeakPolarHBondContact O-CG 3.49Å; A342-E346 PolarHBondContact O-N 2.89Å
343L96.7Very high95.3Very high1 Ų134.9 Ų34.91%0.00516%0.16CC..Hα-helixtrans-57.3-47.8176.7-72.1170.4000112.2I299 I307 L311 L315 T316 V339 Q340 R345 E346 L347I299-L343 HydrophobicContact CG2-CB 3.66Å; I307-L343 HydrophobicContact CD1-CD1 4.24Å; L311-L343 HydrophobicContact CD2-CD1 3.84Å; L311-L343 HydrophobicContact CG-CD1 4.37Å; L315-L343 HydrophobicContact CB-CD2 4.12Å; T316-L343 HydrophobicContact CG2-CD2 3.56Å; V339-L343 HydrophobicContact CG1-CD1 3.85Å; V339-L343 HydrophobicContact CG1-CG 4.2Å; V339-L343 WeakPolarHBondContact O-CB 3.4Å; V339-L343 WeakPolarHBondContact O-CG 3.33Å; V339-L343 PolarHBondContact O-N 3.33Å; Q340-L343 PolarHBondContact O-N 3.21Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 3.18Å; L343-E346 PolarHBondContact O-N 3.46Å; L343-L347 VanDerWaalsContact O-CB 3.24Å; L343-L347 WeakPolarHBondContact O-CB 3.45Å; L343-L347 WeakPolarHBondContact O-CG 3.25Å; L343-L347 PolarHBondContact O-N 2.9Å
344A96.7Very high95.3Very high0 Ų031.5 Ų31.50%015%0.145CC..Hα-helixtrans-60.7-42.1-178.400000111.4Y296 I299 L300 Q340 K341 A342 T348Y296-A344 HydrophobicContact CD2-CB 3.68Å; Y296-A344 WeakPolarHBondContact CD2-O 3.22Å; Y296-A344 HydrophobicContact CE2-CB 3.55Å; Y296-A344 HydrophobicContact CG-CB 4.21Å; I299-A344 HydrophobicContact CB-CB 4.11Å; I299-A344 HydrophobicContact CG2-CB 3.92Å; L300-A344 HydrophobicContact CB-CB 4.15Å; Q340-A344 VanDerWaalsContact O-CB 3.25Å; Q340-A344 WeakPolarHBondContact O-CB 3.39Å; Q340-A344 PolarHBondContact O-N 3.24Å; K341-A344 PolarHBondContact O-N 2.88Å; A342-A344 PolarHBondContact O-N 2.92Å; A344-T348 WeakPolarHBondContact O-CB 3.46Å; A344-T348 PolarHBondContact O-N 3.33Å; A344-T348 VanDerWaalsContact O-N 3.08Å; A344-T348 PolarHBondContact O-OG1 3.45Å
345R97Very high95.5Very high102 Ų10233.4 Ų33.439%0.38515%0.146SC..Hα-helixtrans-63.9-55.1175.3-73.7169.9170.2170.8-5.4112.2Y296 K341 A342 L343 L347 T348 L349 L357 E361Y296-R345 HydrophobicContact CE2-CG 4.19Å; K341-R345 WeakPolarHBondContact O-CB 3.23Å; K341-R345 VanDerWaalsContact O-CG 3.27Å; K341-R345 WeakPolarHBondContact O-CG 3.31Å; K341-R345 PolarHBondContact O-N 2.75Å; A342-R345 PolarHBondContact O-N 3.23Å; L343-R345 VanDerWaalsContact C-N 3.31Å; L343-R345 PolarHBondContact O-N 3.18Å; R345-L347 PolarHBondContact O-N 3.25Å; R345-T348 PolarHBondContact O-N 2.87Å; R345-L349 VanDerWaalsContact O-CB 3.31Å; R345-L349 WeakPolarHBondContact O-CB 3.39Å; R345-L349 PolarHBondContact O-N 3.38Å; R345-L357 HydrophobicContact CB-CD1 4.41Å; R345-L357 HydrophobicContact CB-CD2 4.39Å; R345-L357 HydrophobicContact CG-CD1 4.2Å; R345-L357 WeakPolarHBondContact O-CD2 3.34Å; R345-E361 IonicContact CZ-OE1 3.56Å; R345-E361 IonicContact NE-OE1 2.83Å; R345-E361 PolarHBondContact NE-OE1 3.39Å; R345-E361 IonicContact NH2-OE1 2.79Å; R345-E361 PolarHBondContact NH2-OE1 3.19Å
346E96.6Very high95.8Very high11 Ų1128.9 Ų28.95%0.05112%0.121CC..Hα-helixtrans-61.8-44.9-174.5-68.5-53.4121.200112R19 Y21 T316 F318 A342 L343 L349 L350R19-E346 WeakPolarHBondContact CD-OE1 3.2Å; R19-E346 IonicContact CZ-OE1 2.62Å; R19-E346 IonicContact NE-OE1 2.78Å; R19-E346 PolarHBondContact NE-OE1 2.62Å; R19-E346 IonicContact NE-OE2 3.96Å; R19-E346 IonicContact NH2-OE1 2.99Å; R19-E346 PolarHBondContact NH2-OE1 3.44Å; Y21-E346 WeakPolarHBondContact CE1-OE2 3.14Å; Y21-E346 PolarHBondContact OH-OE2 2.91Å; T316-E346 HydrophobicContact CG2-CB 4.31Å; T316-E346 HydrophobicContact CG2-CG 4.42Å; F318-E346 HydrophobicContact CE1-CG 4.12Å; F318-E346 HydrophobicContact CE2-CG 3.93Å; F318-E346 HydrophobicContact CZ-CG 3.39Å; A342-E346 WeakPolarHBondContact O-CB 3.36Å; A342-E346 VanDerWaalsContact O-CG 3.28Å; A342-E346 WeakPolarHBondContact O-CG 3.49Å; A342-E346 PolarHBondContact O-N 2.89Å; L343-E346 PolarHBondContact O-N 3.46Å; E346-L349 PolarHBondContact O-N 3.02Å; E346-L350 WeakPolarHBondContact O-CB 3.28Å; E346-L350 PolarHBondContact O-N 3.1Å
347L97.7Very high96.1Very high1 Ų122.6 Ų22.61%0.00510%0.098CC..Hα-helixtrans-72.4-38.7-178.6-64.4-178.7000112.2L72 L75 F295 I299 L315 L343 R345 L349 L350 V351L72-L347 HydrophobicContact CD1-CD1 3.83Å; L75-L347 HydrophobicContact CD2-CD2 3.73Å; F295-L347 HydrophobicContact CE1-CB 3.94Å; F295-L347 HydrophobicContact CZ-CB 4.06Å; I299-L347 HydrophobicContact CD1-CB 3.8Å; I299-L347 HydrophobicContact CD1-CD1 3.73Å; I299-L347 HydrophobicContact CD1-CG 4.42Å; I299-L347 HydrophobicContact CG1-CD1 4.38Å; I299-L347 HydrophobicContact CG2-CD1 4.28Å; L315-L347 HydrophobicContact CB-CD1 4.36Å; L315-L347 HydrophobicContact CB-CD2 4.08Å; L315-L347 HydrophobicContact CD1-CD1 4.21Å; L315-L347 HydrophobicContact CD2-CD2 4.26Å; L315-L347 WeakPolarHBondContact O-CD2 3.32Å; L343-L347 VanDerWaalsContact O-CB 3.24Å; L343-L347 WeakPolarHBondContact O-CB 3.45Å; L343-L347 WeakPolarHBondContact O-CG 3.25Å; L343-L347 PolarHBondContact O-N 2.9Å; R345-L347 PolarHBondContact O-N 3.25Å; L347-L349 VanDerWaalsContact C-N 3.33Å; L347-L350 PolarHBondContact O-N 3.39Å; L347-V351 WeakPolarHBondContact O-CB 3.14Å; L347-V351 VanDerWaalsContact O-CG2 3.29Å; L347-V351 WeakPolarHBondContact O-CG2 3.43Å; L347-V351 PolarHBondContact O-N 3.47Å
348T97.9Very high96.2Very high0 Ų018.6 Ų18.60%08%0.083CC..Hα-helixtrans-68.6-37.1177.4-55.60000110.7F295 A344 R345 H352 G353 L357F295-T348 WeakPolarHBondContact CD1-OG1 3.26Å; A344-T348 WeakPolarHBondContact O-CB 3.46Å; A344-T348 PolarHBondContact O-N 3.33Å; A344-T348 VanDerWaalsContact O-N 3.08Å; A344-T348 PolarHBondContact O-OG1 3.45Å; R345-T348 PolarHBondContact O-N 2.87Å; T348-H352 HydrophobicContact CG2-CB 4.3Å; T348-H352 CarbonylContact O-C 3.6Å; T348-H352 WeakPolarHBondContact O-CA 3.46Å; T348-H352 WeakPolarHBondContact O-CB 3.36Å; T348-H352 PolarHBondContact O-N 3.45Å; T348-G353 PolarHBondContact O-N 2.66Å; T348-L357 HydrophobicContact CG2-CB 3.94Å; T348-L357 HydrophobicContact CG2-CD1 4.22Å
349L97.4Very high96.2Very high1 Ų116.8 Ų16.81%0.0057%0.074CC..Hα-helixtrans-61.3-47.6173.3-176.661.9000111.6H141 I142 R345 E346 L347 G353 A354 L357H141-L349 HydrophobicContact CB-CD1 3.76Å; H141-L349 HydrophobicContact CB-CD2 3.92Å; H141-L349 HydrophobicContact CB-CG 3.83Å; I142-L349 HydrophobicContact CD1-CD2 3.98Å; I142-L349 HydrophobicContact CD1-CG 4.43Å; R345-L349 VanDerWaalsContact O-CB 3.31Å; R345-L349 WeakPolarHBondContact O-CB 3.39Å; R345-L349 PolarHBondContact O-N 3.38Å; E346-L349 PolarHBondContact O-N 3.02Å; L347-L349 VanDerWaalsContact C-N 3.33Å; L349-G353 WeakPolarHBondContact O-CA 3.46Å; L349-G353 PolarHBondContact O-N 2.85Å; L349-A354 HydrophobicContact CD1-CB 3.91Å; L349-L357 HydrophobicContact CB-CD2 3.89Å; L349-L357 HydrophobicContact CD1-CD2 4.43Å
350L97.7Very high96.2Very high3 Ų316.7 Ų16.72%0.0167%0.074CC..Hα-helixtrans-65.2-44.2-179.4-179.162.5000112L75 L82 I134 N137 I142 F317 E346 L347L75-L350 HydrophobicContact CD1-CD2 4.13Å; L82-L350 HydrophobicContact CD1-CD1 4.17Å; I134-L350 HydrophobicContact CG2-CD1 3.87Å; I134-L350 HydrophobicContact CG2-CG 4Å; N137-L350 WeakPolarHBondContact CB-O 3.4Å; N137-L350 PolarHBondContact ND2-O 3.44Å; I142-L350 HydrophobicContact CG1-CD1 4.33Å; F317-L350 HydrophobicContact CE2-CD2 4.29Å; E346-L350 WeakPolarHBondContact O-CB 3.28Å; E346-L350 PolarHBondContact O-N 3.1Å; L347-L350 PolarHBondContact O-N 3.39Å
351V98.1Very high96.2Very high3 Ų318.7 Ų18.72%0.0188%0.083CC..Hα-helixtrans-86.2-42-172.9178.10000112.4L75 K133 N137 L285 F295 L347L75-V351 HydrophobicContact CD1-CG2 4.08Å; L75-V351 HydrophobicContact CD2-CG2 3.65Å; K133-V351 WeakPolarHBondContact CE-O 3.32Å; N137-V351 PolarHBondContact ND2-O 3.16Å; L285-V351 HydrophobicContact CB-CG1 3.88Å; L285-V351 HydrophobicContact CD2-CG1 4.31Å; L285-V351 HydrophobicContact CD2-CG2 4.19Å; L285-V351 WeakPolarHBondContact O-CG1 3.46Å; F295-V351 HydrophobicContact CE1-CB 4.49Å; F295-V351 HydrophobicContact CZ-CB 4.27Å; F295-V351 HydrophobicContact CZ-CG2 3.97Å; L347-V351 WeakPolarHBondContact O-CB 3.14Å; L347-V351 VanDerWaalsContact O-CG2 3.29Å; L347-V351 WeakPolarHBondContact O-CG2 3.43Å; L347-V351 PolarHBondContact O-N 3.47Å
352H97Very high96.1Very high9 Ų915.3 Ų15.34%0.0427%0.069CC..Hα-helixtrans-115.2-10.6-170.1-59.3-65.2000114.5L285 P292 F295 T348 A356L285-H352 PolarHBondContact O-CE1 2.88Å; P292-H352 HydrophobicContact CB-CB 4.1Å; P292-H352 HydrophobicContact CG-CB 4.17Å; F295-H352 AromaticContact CD1-CD2 3.69Å; F295-H352 AromaticContact CD1-NE2 3.76Å; F295-H352 AromaticContact CD2-NE2 3.9Å; F295-H352 AromaticContact CG-CD2 3.9Å; F295-H352 AromaticContact CG-NE2 3.46Å; F295-H352 WeakPolarHBondContact CG-NE2 3.45Å; T348-H352 HydrophobicContact CG2-CB 4.3Å; T348-H352 CarbonylContact O-C 3.6Å; T348-H352 WeakPolarHBondContact O-CA 3.46Å; T348-H352 WeakPolarHBondContact O-CB 3.36Å; T348-H352 PolarHBondContact O-N 3.45Å; H352-A356 HydrophobicContact CB-CB 3.42Å; H352-A356 VanDerWaalsContact CB-CB 3.42Å; H352-A356 WeakPolarHBondContact O-CB 3.34Å
353G95.8Very high96Very high5 Ų514.6 Ų14.65%0.0526%0.063CC..Hα-helixtrans86.1171.6177.200000113.8N137 T348 L349 Y355 A356 L357N137-G353 PolarHBondContact ND2-N 2.78Å; T348-G353 PolarHBondContact O-N 2.66Å; L349-G353 WeakPolarHBondContact O-CA 3.46Å; L349-G353 PolarHBondContact O-N 2.85Å; G353-Y355 PolarHBondContact O-N 3.34Å; G353-A356 PolarHBondContact O-N 3.28Å; G353-L357 PolarHBondContact O-N 2.95Å; G353-L357 VanDerWaalsContact O-N 3.14Å
354A94.4Very high95.9Very high2 Ų215.6 Ų15.62%0.0177%0.069CC..Hα-helixtrans-61.9-38.9-173.200000113.6H141 L349 L357 Q358H141-A354 PolarHBondContact NE2-N 3.33Å; L349-A354 HydrophobicContact CD1-CB 3.91Å; A354-L357 PolarHBondContact O-N 2.87Å; A354-Q358 VanDerWaalsContact O-CG 3.32Å; A354-Q358 WeakPolarHBondContact O-CG 3.38Å; A354-Q358 PolarHBondContact O-N 3.46Å
355Y93Very high95.6Very high95 Ų9520.5 Ų20.537%0.3739%0.088SC..Hα-helixtrans-60.5-52.6177-68.9-95.8000111.3V7 G353 L357 Q358 A359 Y401V7-Y355 HydrophobicContact CB-CE1 4.37Å; V7-Y355 HydrophobicContact CG1-CE1 4.38Å; V7-Y355 HydrophobicContact CG1-CE2 4.28Å; V7-Y355 WeakPolarHBondContact CG1-OH 3.04Å; V7-Y355 HydrophobicContact CG2-CD1 4.14Å; V7-Y355 HydrophobicContact CG2-CE1 3.13Å; V7-Y355 HydrophobicContact CG2-CE2 4.45Å; V7-Y355 WeakPolarHBondContact CG2-OH 3.48Å; G353-Y355 PolarHBondContact O-N 3.34Å; Y355-L357 PolarHBondContact O-N 3.29Å; Y355-Q358 PolarHBondContact O-N 3.16Å; Y355-A359 WeakPolarHBondContact O-CB 3.37Å; Y355-A359 PolarHBondContact O-N 3.38Å; Y355-Y401 HydrophobicContact CD1-CE2 4.3Å; Y355-Y401 PolarHBondContact O-OH 2.73Å
356A95.8Very high95.4Very high0 Ų015.6 Ų15.60%07%0.069CC..Hα-helixtrans-62.8-34.8-178.400000112.2P292 H352 G353 S360 F412P292-A356 HydrophobicContact CB-CB 3.75Å; P292-A356 HydrophobicContact CG-CB 4Å; H352-A356 HydrophobicContact CB-CB 3.42Å; H352-A356 VanDerWaalsContact CB-CB 3.42Å; H352-A356 WeakPolarHBondContact O-CB 3.34Å; G353-A356 PolarHBondContact O-N 3.28Å; A356-S360 WeakPolarHBondContact O-CB 3.31Å; A356-S360 PolarHBondContact O-N 3.08Å; A356-S360 PolarHBondContact O-OG 2.85Å; A356-F412 HydrophobicContact CB-CD1 4.08Å; A356-F412 HydrophobicContact CB-CE1 4.2Å; A356-F412 HydrophobicContact CB-CG 4.4Å
357L96.5Very high95.2Very high0 Ų015.3 Ų15.30%07%0.068CC..Hα-helixtrans-64.2-49.3173.2174.154.8000112.2F14 Y296 R345 T348 L349 G353 A354 Y355 A359 S360 E361F14-L357 HydrophobicContact CD1-CD2 4.43Å; F14-L357 HydrophobicContact CE1-CD2 3.27Å; F14-L357 HydrophobicContact CE1-CG 4.2Å; F14-L357 HydrophobicContact CE2-CD2 4.38Å; F14-L357 HydrophobicContact CZ-CD2 3.24Å; F14-L357 HydrophobicContact CZ-CG 3.65Å; Y296-L357 HydrophobicContact CD2-CD1 3.82Å; Y296-L357 HydrophobicContact CE2-CD1 3.71Å; R345-L357 HydrophobicContact CB-CD1 4.41Å; R345-L357 HydrophobicContact CB-CD2 4.39Å; R345-L357 HydrophobicContact CG-CD1 4.2Å; R345-L357 WeakPolarHBondContact O-CD2 3.34Å; T348-L357 HydrophobicContact CG2-CB 3.94Å; T348-L357 HydrophobicContact CG2-CD1 4.22Å; L349-L357 HydrophobicContact CB-CD2 3.89Å; L349-L357 HydrophobicContact CD1-CD2 4.43Å; G353-L357 PolarHBondContact O-N 2.95Å; G353-L357 VanDerWaalsContact O-N 3.14Å; A354-L357 PolarHBondContact O-N 2.87Å; Y355-L357 PolarHBondContact O-N 3.29Å; L357-A359 VanDerWaalsContact C-N 3.34Å; L357-A359 PolarHBondContact O-N 3.2Å; L357-S360 WeakPolarHBondContact O-CA 3.3Å; L357-S360 WeakPolarHBondContact O-CB 3.49Å; L357-S360 PolarHBondContact O-N 2.85Å; L357-S360 VanDerWaalsContact O-N 3.07Å; L357-E361 HydrophobicContact CD1-CG 3.93Å; L357-E361 PolarHBondContact O-N 3.26Å
358Q93.7Very high94.8Very high16 Ų1618.7 Ų18.78%0.0758%0.083CC..Hα-helixtrans-59.7-45.1178.2-73.7168.124.100111.8W10 F14 A354 Y355 S360 E361 L362 Y401W10-Q358 VanDerWaalsContact CB-NE2 3.34Å; F14-Q358 HydrophobicContact CD2-CG 4.35Å; F14-Q358 HydrophobicContact CE2-CG 3.79Å; A354-Q358 VanDerWaalsContact O-CG 3.32Å; A354-Q358 WeakPolarHBondContact O-CG 3.38Å; A354-Q358 PolarHBondContact O-N 3.46Å; Y355-Q358 PolarHBondContact O-N 3.16Å; Q358-S360 VanDerWaalsContact C-N 3.27Å; Q358-S360 PolarHBondContact O-N 3.44Å; Q358-E361 PolarHBondContact O-N 2.72Å; Q358-L362 VanDerWaalsContact O-CB 3.26Å; Q358-L362 WeakPolarHBondContact O-CB 3.41Å; Q358-L362 PolarHBondContact O-N 3.32Å; Q358-Y401 HydrophobicContact CB-CE1 3.95Å
359A95.4Very high94Very high1 Ų120 Ų201%0.0089%0.091CC..Hα-helixtrans-56.8-44.817400000110.9Y355 L357 L362 A363 Y401 C405 F412 L413Y355-A359 WeakPolarHBondContact O-CB 3.37Å; Y355-A359 PolarHBondContact O-N 3.38Å; L357-A359 VanDerWaalsContact C-N 3.34Å; L357-A359 PolarHBondContact O-N 3.2Å; A359-L362 PolarHBondContact O-N 3.35Å; A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.32Å; A359-A363 PolarHBondContact O-N 2.98Å; A359-Y401 HydrophobicContact CB-CE1 4.35Å; A359-Y401 PolarHBondContact N-OH 3.3Å; A359-C405 HydrophobicContact CB-CB 4.17Å; A359-F412 HydrophobicContact CB-CB 4.07Å; A359-F412 HydrophobicContact CB-CD2 4.18Å; A359-L413 HydrophobicContact CB-CD2 4Å; A359-L413 HydrophobicContact CB-CG 4.29Å; A359-L413 WeakPolarHBondContact O-CD2 3.44Å
360S96.4Very high92.5Very high0 Ų028.6 Ų28.60%013%0.133CC..Hα-helixtrans-65.3-42.7-179.6-58.20000112.7P292 Y293 A356 L357 Q358 T364P292-S360 PolarHBondContact O-OG 3.19Å; Y293-S360 WeakPolarHBondContact CA-OG 3.39Å; Y293-S360 PolarHBondContact N-OG 3.14Å; A356-S360 WeakPolarHBondContact O-CB 3.31Å; A356-S360 PolarHBondContact O-N 3.08Å; A356-S360 PolarHBondContact O-OG 2.85Å; L357-S360 WeakPolarHBondContact O-CA 3.3Å; L357-S360 WeakPolarHBondContact O-CB 3.49Å; L357-S360 PolarHBondContact O-N 2.85Å; L357-S360 VanDerWaalsContact O-N 3.07Å; Q358-S360 VanDerWaalsContact C-N 3.27Å; Q358-S360 PolarHBondContact O-N 3.44Å; S360-T364 WeakPolarHBondContact O-CB 3.23Å; S360-T364 PolarHBondContact O-N 3.38Å; S360-T364 PolarHBondContact O-OG1 3Å
361E94.7Very high90Very high42 Ų4231.2 Ų31.220%0.19615%0.152CC..Hα-helixtrans-67-43.1176-71.3-168.9119.400111.9Y296 R345 L357 Q358 T364 R365Y296-E361 HydrophobicContact CE2-CG 4.16Å; R345-E361 IonicContact CZ-OE1 3.56Å; R345-E361 IonicContact NE-OE1 2.83Å; R345-E361 PolarHBondContact NE-OE1 3.39Å; R345-E361 IonicContact NH2-OE1 2.79Å; R345-E361 PolarHBondContact NH2-OE1 3.19Å; L357-E361 HydrophobicContact CD1-CG 3.93Å; L357-E361 PolarHBondContact O-N 3.26Å; Q358-E361 PolarHBondContact O-N 2.72Å; E361-T364 WeakPolarHBondContact O-CB 3.43Å; E361-T364 PolarHBondContact O-N 3.35Å; E361-R365 PolarHBondContact O-N 3.41Å
362L93.7Very high86.7Confident15 Ų1533.5 Ų33.58%0.07917%0.168CC..Hα-helixtrans-60.7-48.7176.7178.457.1000111.2Q358 A359 T364 R365 I366 L394 Y401 L402Q358-L362 VanDerWaalsContact O-CB 3.26Å; Q358-L362 WeakPolarHBondContact O-CB 3.41Å; Q358-L362 PolarHBondContact O-N 3.32Å; A359-L362 PolarHBondContact O-N 3.35Å; L362-T364 VanDerWaalsContact C-N 3.31Å; L362-T364 PolarHBondContact O-N 2.87Å; L362-R365 PolarHBondContact O-N 3.08Å; L362-I366 HydrophobicContact CD1-CD1 4.14Å; L362-I366 HydrophobicContact CG-CD1 4.11Å; L362-I366 WeakPolarHBondContact O-CG1 3.31Å; L362-I366 PolarHBondContact O-N 2.72Å; L362-I366 VanDerWaalsContact O-N 3.1Å; L362-L394 HydrophobicContact CD1-CD2 3.66Å; L362-Y401 HydrophobicContact CD2-CD1 3.88Å; L362-Y401 HydrophobicContact CD2-CE1 4.45Å; L362-L402 HydrophobicContact CD2-CB 3.92Å; L362-L402 HydrophobicContact CD2-CD1 4.41Å
363A94.7Very high83.7Confident0 Ų038.7 Ų38.70%020%0.2CC..Hα-helixtrans-62-39.3175.400000111.8Y293 A359 R365 I366 F367 L413 F510Y293-A363 HydrophobicContact CD2-CB 3.74Å; Y293-A363 HydrophobicContact CE2-CB 3.93Å; A359-A363 VanDerWaalsContact O-CB 3.3Å; A359-A363 WeakPolarHBondContact O-CB 3.32Å; A359-A363 PolarHBondContact O-N 2.98Å; A363-R365 PolarHBondContact O-N 3.09Å; A363-I366 PolarHBondContact O-N 3.08Å; A363-F367 HydrophobicContact CB-CD2 4.18Å; A363-F367 HydrophobicContact CB-CE2 4.03Å; A363-F367 WeakPolarHBondContact O-CB 3.43Å; A363-F367 WeakPolarHBondContact O-CD2 3.21Å; A363-F367 WeakPolarHBondContact O-CG 3.35Å; A363-F367 PolarHBondContact O-N 2.65Å; A363-L413 HydrophobicContact CB-CD1 4.35Å; A363-L413 HydrophobicContact CB-CD2 3.64Å; A363-F510 HydrophobicContact CB-CE2 3.9Å; A363-F510 HydrophobicContact CB-CZ 4.19Å
364T93.6Very high80.9Confident22 Ų2243.6 Ų43.614%0.13523%0.225CC..Hα-helixtrans-60.3-44.5175.6-600000111.5Y296 Q297 L300 S360 E361 L362 I366 F368Y296-T364 HydrophobicContact CE1-CG2 4.45Å; Y296-T364 WeakPolarHBondContact CE1-OG1 3.42Å; Q297-T364 VanDerWaalsContact NE2-CG2 3.32Å; Q297-T364 PolarHBondContact NE2-OG1 3.36Å; L300-T364 HydrophobicContact CD2-CG2 4.26Å; S360-T364 WeakPolarHBondContact O-CB 3.23Å; S360-T364 PolarHBondContact O-N 3.38Å; S360-T364 PolarHBondContact O-OG1 3Å; E361-T364 WeakPolarHBondContact O-CB 3.43Å; E361-T364 PolarHBondContact O-N 3.35Å; L362-T364 VanDerWaalsContact C-N 3.31Å; L362-T364 PolarHBondContact O-N 2.87Å; T364-I366 VanDerWaalsContact C-N 3.29Å; T364-I366 PolarHBondContact O-N 3.43Å; T364-F368 HydrophobicContact CG2-CD2 4.34Å; T364-F368 PolarHBondContact O-N 3.45Å
365R91.5Very high77.8Confident102 Ų10246.9 Ų46.939%0.38525%0.247SC..Hα-helixtrans-61.2-38.3176.5-175.9174.967.1-170.82.8112.1E361 L362 A363 F368 I389 E398E361-R365 PolarHBondContact O-N 3.41Å; L362-R365 PolarHBondContact O-N 3.08Å; A363-R365 PolarHBondContact O-N 3.09Å; R365-F368 CarbonylContact O-C 3.55Å; R365-I389 WeakPolarHBondContact O-CD1 3.34Å; R365-E398 IonicContact CZ-OE1 3.18Å; R365-E398 IonicContact NH1-OE1 3.21Å; R365-E398 PolarHBondContact NH1-OE1 3.24Å; R365-E398 IonicContact NH2-OE1 3.37Å; R365-E398 PolarHBondContact NH2-OE1 2.72Å; R365-E398 IonicContact NH2-OE2 3.15Å
366I92.3Very high74.8Confident0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-72.7-48.4179.7-66.8162.6000111.4L362 A363 T364 P369 S386 I389 I390 L394 L402 I500 F510L362-I366 HydrophobicContact CD1-CD1 4.14Å; L362-I366 HydrophobicContact CG-CD1 4.11Å; L362-I366 WeakPolarHBondContact O-CG1 3.31Å; L362-I366 PolarHBondContact O-N 2.72Å; L362-I366 VanDerWaalsContact O-N 3.1Å; A363-I366 PolarHBondContact O-N 3.08Å; T364-I366 VanDerWaalsContact C-N 3.29Å; T364-I366 PolarHBondContact O-N 3.43Å; I366-P369 WeakPolarHBondContact O-CD 3.18Å; I366-S386 WeakPolarHBondContact O-CA 3.22Å; I366-S386 WeakPolarHBondContact O-CB 3.46Å; I366-S386 PolarHBondContact O-OG 3.36Å; I366-I389 HydrophobicContact CG1-CG2 3.9Å; I366-I390 HydrophobicContact CD1-CG1 4.39Å; I366-I390 HydrophobicContact CG1-CG1 4.47Å; I366-I390 HydrophobicContact CG2-CD1 3.87Å; I366-I390 HydrophobicContact CG2-CG1 3.89Å; I366-L394 HydrophobicContact CD1-CD1 4.04Å; I366-L402 HydrophobicContact CD1-CD1 4.17Å; I366-L402 HydrophobicContact CD1-CD2 3.72Å; I366-I500 HydrophobicContact CG2-CD1 4.08Å; I366-F510 HydrophobicContact CB-CZ 4.48Å; I366-F510 HydrophobicContact CD1-CE1 4.2Å; I366-F510 HydrophobicContact CD1-CZ 4.01Å; I366-F510 HydrophobicContact CG2-CE1 4.07Å; I366-F510 HydrophobicContact CG2-CZ 4.25Å
367F92.1Very high71.8Confident5 Ų554.2 Ų54.22%0.02230%0.303CS..Hα-helixtrans-74.5-29.5-175.9-66.7-39.7000113.2Y293 A363 P369 P414 I500 H508 F510Y293-F367 HydrophobicContact CE1-CD2 4.21Å; Y293-F367 HydrophobicContact CE1-CE2 4.07Å; Y293-F367 AromaticContact CE2-CD2 3.84Å; Y293-F367 HydrophobicContact CE2-CD2 3.84Å; Y293-F367 HydrophobicContact CE2-CE2 4.16Å; Y293-F367 AromaticContact CZ-CD2 3.49Å; Y293-F367 VanDerWaalsContact CZ-CD2 3.49Å; Y293-F367 AromaticContact CZ-CE2 3.78Å; Y293-F367 VanDerWaalsContact OH-CD2 3.24Å; Y293-F367 WeakPolarHBondContact OH-CD2 3.32Å; A363-F367 HydrophobicContact CB-CD2 4.18Å; A363-F367 HydrophobicContact CB-CE2 4.03Å; A363-F367 WeakPolarHBondContact O-CB 3.43Å; A363-F367 WeakPolarHBondContact O-CD2 3.21Å; A363-F367 WeakPolarHBondContact O-CG 3.35Å; A363-F367 PolarHBondContact O-N 2.65Å; F367-P369 VanDerWaalsContact C-CD 3.43Å; F367-P369 WeakPolarHBondContact O-CD 3.2Å; F367-P414 HydrophobicContact CE2-CG 4Å; F367-P414 HydrophobicContact CZ-CG 4.24Å; F367-I500 HydrophobicContact CD1-CD1 4.04Å; F367-I500 HydrophobicContact CD1-CG2 3.85Å; F367-I500 HydrophobicContact CE1-CD1 3.57Å; F367-I500 HydrophobicContact CE1-CG2 3.92Å; F367-H508 HydrophobicContact CB-CB 4.08Å; F367-H508 HydrophobicContact CD1-CB 3.48Å; F367-H508 VanDerWaalsContact CD1-CB 3.48Å; F367-H508 AromaticContact CD1-CG 3.97Å; F367-H508 HydrophobicContact CD2-CB 3.8Å; F367-H508 HydrophobicContact CE1-CB 3.64Å; F367-H508 HydrophobicContact CE2-CB 3.93Å; F367-H508 HydrophobicContact CG-CB 3.53Å; F367-H508 AromaticContact CG-CG 3.85Å; F367-H508 HydrophobicContact CZ-CB 3.84Å; F367-F510 HydrophobicContact CE1-CD1 4.37Å; F367-F510 HydrophobicContact CE1-CD2 4.04Å; F367-F510 HydrophobicContact CE1-CE1 4.19Å; F367-F510 AromaticContact CE1-CE2 3.84Å; F367-F510 HydrophobicContact CE1-CE2 3.84Å; F367-F510 HydrophobicContact CE1-CG 4.3Å; F367-F510 AromaticContact CE1-CZ 3.9Å; F367-F510 HydrophobicContact CE1-CZ 3.9Å; F367-F510 HydrophobicContact CE2-CD2 4.13Å; F367-F510 AromaticContact CE2-CE2 3.62Å; F367-F510 HydrophobicContact CE2-CE2 3.62Å; F367-F510 HydrophobicContact CE2-CZ 4.21Å; F367-F510 HydrophobicContact CZ-CD1 4.47Å; F367-F510 AromaticContact CZ-CD2 3.35Å; F367-F510 HydrophobicContact CZ-CD2 3.35Å; F367-F510 HydrophobicContact CZ-CE1 4.34Å; F367-F510 AromaticContact CZ-CE2 3.18Å; F367-F510 HydrophobicContact CZ-CE2 3.18Å; F367-F510 HydrophobicContact CZ-CG 4.02Å; F367-F510 AromaticContact CZ-CZ 3.71Å; F367-F510 HydrophobicContact CZ-CZ 3.71Å
368F88Confident68.7Low72 Ų7262.3 Ų62.332%0.31635%0.346SS..SBendtrans-124.372.8176.1-54.5-83.3000109.8T364 R365 M370 H508T364-F368 HydrophobicContact CG2-CD2 4.34Å; T364-F368 PolarHBondContact O-N 3.45Å; R365-F368 CarbonylContact O-C 3.55Å; F368-M370 PolarHBondContact O-N 2.66Å; F368-H508 AromaticContact CE1-CE1 3.46Å; F368-H508 VanDerWaalsContact CE1-CE1 3.46Å; F368-H508 WeakPolarHBondContact CE1-CE1 3.27Å; F368-H508 AromaticContact CZ-CE1 3.39Å; F368-H508 WeakPolarHBondContact CZ-CE1 3.38Å; F368-H508 AromaticContact CZ-ND1 3.64Å
369P81.5Confident65.8Low27 Ų2769 Ų6918%0.17538%0.382CS..  trans-49.2133.2166.5-21.432.5000108.3I366 F367 S371 K384 I389I366-P369 WeakPolarHBondContact O-CD 3.18Å; F367-P369 VanDerWaalsContact C-CD 3.43Å; F367-P369 WeakPolarHBondContact O-CD 3.2Å; P369-S371 PolarHBondContact O-N 2.93Å; P369-K384 HydrophobicContact CB-CB 4.34Å; P369-K384 VanDerWaalsContact CB-O 3.28Å; P369-K384 WeakPolarHBondContact CB-O 3.44Å; P369-K384 WeakPolarHBondContact CG-O 3.46Å; P369-I389 HydrophobicContact CB-CD1 3.75Å; P369-I389 HydrophobicContact CG-CD1 3.7Å
370M66.2Low62.9Low182 Ų18273.5 Ų73.590%0.89741%0.406SS*.  trans-60.8102.5176-77.5-150.9-73.500108.5F368F368-M370 PolarHBondContact O-N 2.66Å
371S45.6Very low60Low57 Ų5778.7 Ų78.740%0.39944%0.44SS..  trans-65.9138.9163.243.80000107.4P369 V373 D383P369-S371 PolarHBondContact O-N 2.93Å; S371-V373 PolarHBondContact O-N 3.09Å; S371-D383 VanDerWaalsContact CA-OD1 3.26Å; S371-D383 WeakPolarHBondContact CA-OD1 3.43Å; S371-D383 WeakPolarHBondContact CB-OD1 3.44Å
372S29.5Very low57.5Low52 Ų5284.5 Ų84.536%0.36447%0.471SS..SBendtrans-64.120.7-176.543.40000114.4N374 C375S372-N374 PolarHBondContact O-N 3.21Å; S372-C375 PolarHBondContact O-N 3.02Å
373V34Very low55.7Low118 Ų11889 Ų8972%0.71550%0.495SS*.THydrogen-bonded Turntrans-71.221.3-178.8-158.70000112.9S371S371-V373 PolarHBondContact O-N 3.09Å
374N37.1Very low54.6Low108 Ų10894.3 Ų94.358%0.57852%0.518SS*.THydrogen-bonded Turntrans-124.614.1168-73.8-42.7000113N335 S372N335-N374 PolarHBondContact ND2-OD1 3.03Å; S372-N374 PolarHBondContact O-N 3.21Å
375C28.7Very low54.1Low71 Ų7194.3 Ų94.348%0.4852%0.519SS..  trans-116.4118.4170.1-68.50000108.6S372 D377 L380S372-C375 PolarHBondContact O-N 3.02Å; C375-D377 PolarHBondContact O-N 3.2Å; C375-L380 HydrophobicContact CB-CD1 3.67Å
376S30.5Very low53.9Low127 Ų12790.1 Ų90.189%0.88851%0.505SS*.SBendtrans-71.925170.9490000113.2
377D32.9Very low53.7Low122 Ų12290.4 Ų90.465%0.65251%0.507SS*.  trans-123.2113.1178-91.4-31.7000108.6C375 N379C375-D377 PolarHBondContact O-N 3.2Å; D377-N379 PolarHBondContact O-N 2.62Å
378D30.9Very low53.5Low169 Ų16993.9 Ų93.990%0.90452%0.523SS*.THydrogen-bonded Turntrans-65.323.8-178.6-81.6-34.3000114.8
379N32.6Very low53.5Low157 Ų15790.6 Ų90.684%0.8451%0.509SS*.THydrogen-bonded Turntrans-134.523.9-171.2-78.7-41.5000115.8D377D377-N379 PolarHBondContact O-N 2.62Å
380L34.1Very low53.8Low96 Ų9689.4 Ų89.450%0.50350%0.501SS..SBendtrans-94143.5170.2-87.5131.6000112.8C375C375-L380 HydrophobicContact CB-CD1 3.67Å
381P34.9Very low54.7Low109 Ų10984 Ų8471%0.70847%0.474SS*.  trans-66.1149.4-164.7-11.426.2000112.4
382L42.5Very low56.6Low163 Ų16387.2 Ų87.285%0.85349%0.486SS*.  trans-25.6131.3-179.1-75.587.1000115K384L382-K384 PolarHBondContact O-N 3.32Å
383D55.7Low59.4Low109 Ų10988.6 Ų88.658%0.58349%0.487SS*.  trans-41.1112.9170.6-80.9-29.4000111.3S371S371-D383 VanDerWaalsContact CA-OD1 3.26Å; S371-D383 WeakPolarHBondContact CA-OD1 3.43Å; S371-D383 WeakPolarHBondContact CB-OD1 3.44Å
384K71.6Confident61.9Low112 Ų11283.3 Ų83.349%0.48746%0.455SS..  trans-62.3139.1-179.8-65.4-176.7179.5177.90110.7P369 L382 E388 E393P369-K384 HydrophobicContact CB-CB 4.34Å; P369-K384 VanDerWaalsContact CB-O 3.28Å; P369-K384 WeakPolarHBondContact CB-O 3.44Å; P369-K384 WeakPolarHBondContact CG-O 3.46Å; L382-K384 PolarHBondContact O-N 3.32Å; K384-E388 WeakPolarHBondContact CA-OE2 3.24Å; K384-E393 WeakPolarHBondContact CD-OE1 3.3Å; K384-E393 WeakPolarHBondContact CE-OE1 3.46Å; K384-E393 IonicContact NZ-OE1 3.43Å; K384-E393 PolarHBondContact NZ-OE1 2.73Å
385S84.1Confident64.4Low23 Ų2382.1 Ų82.116%0.16145%0.448CS..  trans-81.4152.5174.8690000112.1M387 E388 I389 S468S385-M387 PolarHBondContact O-N 3.13Å; S385-M387 VanDerWaalsContact O-N 3.17Å; S385-E388 WeakPolarHBondContact CB-OE1 3.21Å; S385-E388 PolarHBondContact N-OE2 2.91Å; S385-E388 VanDerWaalsContact N-OE2 3.14Å; S385-E388 WeakPolarHBondContact O-CB 3.32Å; S385-E388 PolarHBondContact O-N 3.41Å; S385-E388 VanDerWaalsContact O-N 3.11Å; S385-E388 VanDerWaalsContact OG-CG 3.27Å; S385-E388 WeakPolarHBondContact OG-CG 3.49Å; S385-E388 PolarHBondContact OG-N 3.2Å; S385-E388 VanDerWaalsContact OG-N 3.17Å; S385-E388 PolarHBondContact OG-OE1 3.36Å; S385-I389 PolarHBondContact O-N 3.46Å; S385-S468 WeakPolarHBondContact CB-OG 3.45Å
386S87.8Confident67.2Low13 Ų1383.3 Ų83.39%0.09146%0.457CS..Hα-helixtrans-55.6-32.6172.3-58.70000112.5I366 I389 I390I366-S386 WeakPolarHBondContact O-CA 3.22Å; I366-S386 WeakPolarHBondContact O-CB 3.46Å; I366-S386 PolarHBondContact O-OG 3.36Å; S386-I389 PolarHBondContact O-N 3.26Å; S386-I390 WeakPolarHBondContact O-CG1 3.15Å; S386-I390 PolarHBondContact O-N 3.24Å
387M88.1Confident69.9Low6 Ų678.9 Ų78.93%0.0343%0.427CS..Hα-helixtrans-71.1-38.9177.7-67.9-50.8-53.400112.4S385 I389 I390 Q391 N467 R491 D493 I500S385-M387 PolarHBondContact O-N 3.13Å; S385-M387 VanDerWaalsContact O-N 3.17Å; M387-I389 VanDerWaalsContact C-N 3.28Å; M387-I389 PolarHBondContact O-N 3.42Å; M387-I390 PolarHBondContact O-N 2.84Å; M387-I390 HydrophobicContact SD-CD1 4.23Å; M387-Q391 WeakPolarHBondContact O-CB 3.41Å; M387-Q391 WeakPolarHBondContact O-CG 3.33Å; M387-Q391 PolarHBondContact O-N 2.78Å; M387-N467 HydrophobicContact CG-CB 4.03Å; M387-R491 WeakPolarHBondContact CE-O 3.49Å; M387-D493 HydrophobicContact CE-CB 3.95Å; M387-I500 HydrophobicContact SD-CG1 3.97Å
388E87.3Confident72.6Confident78 Ų7874.2 Ų74.236%0.36440%0.401SS..Hα-helixtrans-60.1-38.5173.7-79.7152-133.700112K384 S385 Q391 N392K384-E388 WeakPolarHBondContact CA-OE2 3.24Å; S385-E388 WeakPolarHBondContact CB-OE1 3.21Å; S385-E388 PolarHBondContact N-OE2 2.91Å; S385-E388 VanDerWaalsContact N-OE2 3.14Å; S385-E388 WeakPolarHBondContact O-CB 3.32Å; S385-E388 PolarHBondContact O-N 3.41Å; S385-E388 VanDerWaalsContact O-N 3.11Å; S385-E388 VanDerWaalsContact OG-CG 3.27Å; S385-E388 WeakPolarHBondContact OG-CG 3.49Å; S385-E388 PolarHBondContact OG-N 3.2Å; S385-E388 VanDerWaalsContact OG-N 3.17Å; S385-E388 PolarHBondContact OG-OE1 3.36Å; E388-Q391 PolarHBondContact O-N 2.98Å; E388-N392 WeakPolarHBondContact O-CA 3.17Å; E388-N392 WeakPolarHBondContact O-CB 3.25Å; E388-N392 PolarHBondContact O-N 2.83Å
389I88.5Confident75.4Confident4 Ų469 Ų692%0.02137%0.368CS..Iπ-helixtrans-60.8-50.1175.3-62.2-177.6000110.1R365 I366 P369 S385 S386 M387 Q391 E393 L394R365-I389 WeakPolarHBondContact O-CD1 3.34Å; I366-I389 HydrophobicContact CG1-CG2 3.9Å; P369-I389 HydrophobicContact CB-CD1 3.75Å; P369-I389 HydrophobicContact CG-CD1 3.7Å; S385-I389 PolarHBondContact O-N 3.46Å; S386-I389 PolarHBondContact O-N 3.26Å; M387-I389 VanDerWaalsContact C-N 3.28Å; M387-I389 PolarHBondContact O-N 3.42Å; I389-Q391 VanDerWaalsContact C-N 3.34Å; I389-Q391 PolarHBondContact O-N 3.43Å; I389-E393 HydrophobicContact CG2-CB 4.33Å; I389-E393 PolarHBondContact O-N 2.86Å; I389-E393 VanDerWaalsContact O-N 3.08Å; I389-L394 HydrophobicContact CG2-CD2 4.12Å; I389-L394 HydrophobicContact CG2-CG 4.34Å; I389-L394 WeakPolarHBondContact O-CG 3.5Å; I389-L394 PolarHBondContact O-N 3.46Å
390I86.9Confident78.1Confident1 Ų166.2 Ų66.21%0.00535%0.35CS..Iπ-helixtrans-60.9-42.8-178.8-67.1169.4000111.7I366 S386 M387 R399 D493 I500 F510I366-I390 HydrophobicContact CD1-CG1 4.39Å; I366-I390 HydrophobicContact CG1-CG1 4.47Å; I366-I390 HydrophobicContact CG2-CD1 3.87Å; I366-I390 HydrophobicContact CG2-CG1 3.89Å; S386-I390 WeakPolarHBondContact O-CG1 3.15Å; S386-I390 PolarHBondContact O-N 3.24Å; M387-I390 PolarHBondContact O-N 2.84Å; M387-I390 HydrophobicContact SD-CD1 4.23Å; I390-R399 PolarHBondContact O-NE 3.44Å; I390-R399 PolarHBondContact O-NH2 3.43Å; I390-D493 HydrophobicContact CG2-CB 4.44Å; I390-I500 HydrophobicContact CD1-CD1 3.85Å; I390-I500 HydrophobicContact CD1-CG1 3.98Å; I390-F510 HydrophobicContact CD1-CE1 4.36Å
391Q85.7Confident80.8Confident70 Ų7063 Ų6333%0.32733%0.331SS..Iπ-helixtrans-78.4-45-174.2-74.5168.8-1.700112.4M387 E388 I389 R399 D493M387-Q391 WeakPolarHBondContact O-CB 3.41Å; M387-Q391 WeakPolarHBondContact O-CG 3.33Å; M387-Q391 PolarHBondContact O-N 2.78Å; E388-Q391 PolarHBondContact O-N 2.98Å; I389-Q391 VanDerWaalsContact C-N 3.34Å; I389-Q391 PolarHBondContact O-N 3.43Å; Q391-R399 PolarHBondContact O-NH2 3.08Å; Q391-D493 WeakPolarHBondContact CG-OD1 3.26Å
392N85.6Confident83.5Confident124 Ų12457.8 Ų57.866%0.66330%0.298SS*.Iπ-helixtrans-116.1-24.4-162.3-56.6-33.7000114.1E388E388-N392 WeakPolarHBondContact O-CA 3.17Å; E388-N392 WeakPolarHBondContact O-CB 3.25Å; E388-N392 PolarHBondContact O-N 2.83Å
393E88Confident85.8Confident81 Ų8152.1 Ų52.138%0.37927%0.268SS..Iπ-helixtrans-103.5-35.7-174.4-60.2-165.817100114.2K384 I389 N395K384-E393 WeakPolarHBondContact CD-OE1 3.3Å; K384-E393 WeakPolarHBondContact CE-OE1 3.46Å; K384-E393 IonicContact NZ-OE1 3.43Å; K384-E393 PolarHBondContact NZ-OE1 2.73Å; I389-E393 HydrophobicContact CG2-CB 4.33Å; I389-E393 PolarHBondContact O-N 2.86Å; I389-E393 VanDerWaalsContact O-N 3.08Å; E393-N395 PolarHBondContact O-N 3.42Å
394L87Confident87.5Confident7 Ų748.6 Ų48.64%0.03725%0.252CS..SBendtrans-66.3120.2178.3-62.3-171.6000109.9L362 I366 I389 E398 R399 L402L362-L394 HydrophobicContact CD1-CD2 3.66Å; I366-L394 HydrophobicContact CD1-CD1 4.04Å; I389-L394 HydrophobicContact CG2-CD2 4.12Å; I389-L394 HydrophobicContact CG2-CG 4.34Å; I389-L394 WeakPolarHBondContact O-CG 3.5Å; I389-L394 PolarHBondContact O-N 3.46Å; L394-E398 HydrophobicContact CB-CB 4.29Å; L394-E398 HydrophobicContact CD2-CB 4.21Å; L394-R399 HydrophobicContact CB-CB 4.41Å; L394-R399 PolarHBondContact O-NH2 2.92Å; L394-L402 HydrophobicContact CD1-CD2 3.85Å
395N88.9Confident88.5Confident82 Ų8243.4 Ų43.444%0.43923%0.23SC..  trans-67164.4170.368.458.1000110.2E393 S397 E398 R399E393-N395 PolarHBondContact O-N 3.42Å; N395-S397 PolarHBondContact O-N 2.85Å; N395-S397 WeakPolarHBondContact OD1-CA 3.37Å; N395-S397 WeakPolarHBondContact OD1-CB 3.3Å; N395-S397 PolarHBondContact OD1-N 3.48Å; N395-E398 PolarHBondContact N-OE2 2.91Å; N395-E398 PolarHBondContact ND2-OE2 3.39Å; N395-E398 VanDerWaalsContact ND2-OE2 3.07Å; N395-E398 PolarHBondContact O-N 3.2Å; N395-E398 VanDerWaalsContact O-N 3.14Å; N395-E398 PolarHBondContact OD1-N 3.26Å; N395-R399 PolarHBondContact O-N 3.3Å
396S87.3Confident88.9Confident96 Ų9642.3 Ų42.367%0.67122%0.222SC*.Hα-helixtrans-54.9-31.9-176.2-51.70000113.7H400S396-H400 WeakPolarHBondContact O-CB 3.37Å; S396-H400 PolarHBondContact O-N 3.21Å
397S87.9Confident88.9Confident35 Ų3546.2 Ų46.225%0.24524%0.239CC..Hα-helixtrans-74.6-46.3179.5-70.20000112.7L6 N395 R399 H400 Y401L6-S397 VanDerWaalsContact CD1-CB 3.46Å; N395-S397 PolarHBondContact O-N 2.85Å; N395-S397 WeakPolarHBondContact OD1-CA 3.37Å; N395-S397 WeakPolarHBondContact OD1-CB 3.3Å; N395-S397 PolarHBondContact OD1-N 3.48Å; S397-R399 VanDerWaalsContact C-N 3.3Å; S397-R399 PolarHBondContact O-N 3.31Å; S397-H400 PolarHBondContact O-N 3.26Å; S397-Y401 WeakPolarHBondContact O-CB 3.21Å; S397-Y401 PolarHBondContact O-N 3.11Å
398E90.1Very high88.8Confident23 Ų2348.8 Ų48.811%0.10726%0.256CS..Hα-helixtrans-62.8-39.7174.5-69.5175.1131.500111.2W10 R365 L394 N395 Y401 L402W10-E398 HydrophobicContact CZ2-CG 4.5Å; R365-E398 IonicContact CZ-OE1 3.18Å; R365-E398 IonicContact NH1-OE1 3.21Å; R365-E398 PolarHBondContact NH1-OE1 3.24Å; R365-E398 IonicContact NH2-OE1 3.37Å; R365-E398 PolarHBondContact NH2-OE1 2.72Å; R365-E398 IonicContact NH2-OE2 3.15Å; L394-E398 HydrophobicContact CB-CB 4.29Å; L394-E398 HydrophobicContact CD2-CB 4.21Å; N395-E398 PolarHBondContact N-OE2 2.91Å; N395-E398 PolarHBondContact ND2-OE2 3.39Å; N395-E398 VanDerWaalsContact ND2-OE2 3.07Å; N395-E398 PolarHBondContact O-N 3.2Å; N395-E398 VanDerWaalsContact O-N 3.14Å; N395-E398 PolarHBondContact OD1-N 3.26Å; E398-Y401 PolarHBondContact O-N 2.84Å; E398-L402 WeakPolarHBondContact O-CB 3.32Å; E398-L402 PolarHBondContact O-N 3.18Å
399R89Confident88.7Confident59 Ų5949.6 Ų49.622%0.22327%0.27CS..Hα-helixtrans-62.5-48.6175.4-173.6177.2-67.9133.4-0.7111.3I390 Q391 L394 N395 S397 Y401 L402 L403 T496I390-R399 PolarHBondContact O-NE 3.44Å; I390-R399 PolarHBondContact O-NH2 3.43Å; Q391-R399 PolarHBondContact O-NH2 3.08Å; L394-R399 HydrophobicContact CB-CB 4.41Å; L394-R399 PolarHBondContact O-NH2 2.92Å; N395-R399 PolarHBondContact O-N 3.3Å; S397-R399 VanDerWaalsContact C-N 3.3Å; S397-R399 PolarHBondContact O-N 3.31Å; R399-Y401 VanDerWaalsContact C-N 3.31Å; R399-Y401 PolarHBondContact O-N 3.3Å; R399-L402 PolarHBondContact O-N 2.96Å; R399-L403 HydrophobicContact CG-CD1 4.33Å; R399-L403 VanDerWaalsContact O-CG 3.23Å; R399-L403 WeakPolarHBondContact O-CG 3.18Å; R399-L403 PolarHBondContact O-N 2.91Å; R399-T496 HydrophobicContact CG-CG2 4.48Å
400H89.3Confident88.7Confident100 Ų10050.5 Ų50.546%0.46328%0.277SS..Hα-helixtrans-61.1-42.1177.3-176.370.2000112S396 S397 L403 S404S396-H400 WeakPolarHBondContact O-CB 3.37Å; S396-H400 PolarHBondContact O-N 3.21Å; S397-H400 PolarHBondContact O-N 3.26Å; H400-L403 PolarHBondContact O-N 3.39Å; H400-S404 PolarHBondContact O-N 3.23Å
401Y91.1Very high88.7Confident27 Ų2754.7 Ų54.711%0.10630%0.297CS..Hα-helixtrans-63-45.9176.2179-110.6000112.4Y355 Q358 A359 L362 S397 E398 R399 L403 S404 C405Y355-Y401 HydrophobicContact CD1-CE2 4.3Å; Y355-Y401 PolarHBondContact O-OH 2.73Å; Q358-Y401 HydrophobicContact CB-CE1 3.95Å; A359-Y401 HydrophobicContact CB-CE1 4.35Å; A359-Y401 PolarHBondContact N-OH 3.3Å; L362-Y401 HydrophobicContact CD2-CD1 3.88Å; L362-Y401 HydrophobicContact CD2-CE1 4.45Å; S397-Y401 WeakPolarHBondContact O-CB 3.21Å; S397-Y401 PolarHBondContact O-N 3.11Å; E398-Y401 PolarHBondContact O-N 2.84Å; R399-Y401 VanDerWaalsContact C-N 3.31Å; R399-Y401 PolarHBondContact O-N 3.3Å; Y401-L403 VanDerWaalsContact C-N 3.32Å; Y401-L403 PolarHBondContact O-N 2.91Å; Y401-S404 PolarHBondContact O-N 3.25Å; Y401-S404 PolarHBondContact O-OG 3Å; Y401-C405 PolarHBondContact O-N 3.05Å; Y401-C405 PolarHBondContact O-SG 2.79Å
402L91.9Very high89Confident1 Ų153.5 Ų53.51%0.00529%0.291CS..Hα-helixtrans-54.3-50.1173.8177.262.9000110.7L362 I366 L394 E398 R399 S404 C405 L406 L413 L498 F510L362-L402 HydrophobicContact CD2-CB 3.92Å; L362-L402 HydrophobicContact CD2-CD1 4.41Å; I366-L402 HydrophobicContact CD1-CD1 4.17Å; I366-L402 HydrophobicContact CD1-CD2 3.72Å; L394-L402 HydrophobicContact CD1-CD2 3.85Å; E398-L402 WeakPolarHBondContact O-CB 3.32Å; E398-L402 PolarHBondContact O-N 3.18Å; R399-L402 PolarHBondContact O-N 2.96Å; L402-S404 VanDerWaalsContact C-N 3.32Å; L402-S404 PolarHBondContact O-N 2.82Å; L402-C405 WeakPolarHBondContact O-CB 3.27Å; L402-C405 PolarHBondContact O-N 3.2Å; L402-L406 HydrophobicContact CD1-CD1 4.05Å; L402-L406 HydrophobicContact CD1-CG 4.25Å; L402-L406 HydrophobicContact CG-CD1 3.92Å; L402-L406 HydrophobicContact CG-CG 4.47Å; L402-L406 VanDerWaalsContact O-CG 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.48Å; L402-L406 PolarHBondContact O-N 3.21Å; L402-L406 VanDerWaalsContact O-N 3.09Å; L402-L413 HydrophobicContact CD1-CD1 3.83Å; L402-L498 HydrophobicContact CD2-CD1 4.26Å; L402-F510 HydrophobicContact CD1-CE1 4.05Å; L402-F510 HydrophobicContact CD1-CE2 4.29Å; L402-F510 HydrophobicContact CD1-CZ 3.78Å; L402-F510 HydrophobicContact CD2-CE1 4.22Å
403L91.1Very high89.3Confident43 Ų4347.7 Ų47.723%0.22526%0.259CS..Hα-helixtrans-58.3-43.3179.7-64.3170.3000111.8R399 H400 Y401 C405 L406 E407 T496 L498 F517R399-L403 HydrophobicContact CG-CD1 4.33Å; R399-L403 VanDerWaalsContact O-CG 3.23Å; R399-L403 WeakPolarHBondContact O-CG 3.18Å; R399-L403 PolarHBondContact O-N 2.91Å; H400-L403 PolarHBondContact O-N 3.39Å; Y401-L403 VanDerWaalsContact C-N 3.32Å; Y401-L403 PolarHBondContact O-N 2.91Å; L403-C405 VanDerWaalsContact C-N 3.3Å; L403-C405 PolarHBondContact O-N 3Å; L403-L406 CarbonylContact O-C 3.54Å; L403-L406 PolarHBondContact O-N 3.05Å; L403-L406 VanDerWaalsContact O-N 3.08Å; L403-E407 PolarHBondContact O-N 2.77Å; L403-T496 HydrophobicContact CD1-CG2 4.02Å; L403-T496 HydrophobicContact CD2-CG2 3.88Å; L403-T496 HydrophobicContact CG-CG2 4.48Å; L403-L498 HydrophobicContact CD2-CD1 3.7Å; L403-L498 HydrophobicContact CD2-CG 4.27Å; L403-F517 HydrophobicContact CB-CE1 4.47Å; L403-F517 HydrophobicContact CD2-CE1 3.92Å; L403-F517 HydrophobicContact CD2-CZ 3.43Å; L403-F517 VanDerWaalsContact CD2-CZ 3.43Å
404S90.7Very high89.6Confident36 Ų3643.9 Ų43.925%0.25224%0.242SC..Hα-helixtrans-64.1-32.8175.971.80000113.4H400 Y401 L402 L406 E407H400-S404 PolarHBondContact O-N 3.23Å; Y401-S404 PolarHBondContact O-N 3.25Å; Y401-S404 PolarHBondContact O-OG 3Å; L402-S404 VanDerWaalsContact C-N 3.32Å; L402-S404 PolarHBondContact O-N 2.82Å; S404-L406 PolarHBondContact O-N 3.04Å; S404-E407 PolarHBondContact O-N 3.07Å
405C92.4Very high89.8Confident3 Ų344.4 Ų44.42%0.0225%0.245CC..Hα-helixtrans-75.4-14.8175.8-63.90000113.1A359 Y401 L402 L403 F412 L413A359-C405 HydrophobicContact CB-CB 4.17Å; Y401-C405 PolarHBondContact O-N 3.05Å; Y401-C405 PolarHBondContact O-SG 2.79Å; L402-C405 WeakPolarHBondContact O-CB 3.27Å; L402-C405 PolarHBondContact O-N 3.2Å; L403-C405 VanDerWaalsContact C-N 3.3Å; L403-C405 PolarHBondContact O-N 3Å; C405-F412 HydrophobicContact CB-CD2 4.49Å; C405-L413 HydrophobicContact CB-CD1 3.75Å; C405-L413 HydrophobicContact CB-CG 4.2Å
406L91.9Very high89.8Confident0 Ų040.9 Ų40.90%023%0.226CC..THydrogen-bonded Turntrans-99.112.9176.3-62.7175.2000112L402 L403 S404 L413 V415 Y417 L498 F510 F517L402-L406 HydrophobicContact CD1-CD1 4.05Å; L402-L406 HydrophobicContact CD1-CG 4.25Å; L402-L406 HydrophobicContact CG-CD1 3.92Å; L402-L406 HydrophobicContact CG-CG 4.47Å; L402-L406 VanDerWaalsContact O-CG 3.27Å; L402-L406 WeakPolarHBondContact O-CG 3.48Å; L402-L406 PolarHBondContact O-N 3.21Å; L402-L406 VanDerWaalsContact O-N 3.09Å; L403-L406 CarbonylContact O-C 3.54Å; L403-L406 PolarHBondContact O-N 3.05Å; L403-L406 VanDerWaalsContact O-N 3.08Å; S404-L406 PolarHBondContact O-N 3.04Å; L406-L413 HydrophobicContact CD2-CB 3.95Å; L406-L413 HydrophobicContact CD2-CD1 3.86Å; L406-L413 HydrophobicContact CG-CD1 4.34Å; L406-V415 HydrophobicContact CB-CG2 4.48Å; L406-V415 HydrophobicContact CD2-CB 3.84Å; L406-V415 HydrophobicContact CD2-CG1 4.48Å; L406-V415 HydrophobicContact CD2-CG2 4.03Å; L406-Y417 WeakPolarHBondContact O-CE1 3.4Å; L406-Y417 PolarHBondContact O-OH 3.24Å; L406-L498 HydrophobicContact CD1-CD1 3.77Å; L406-L498 HydrophobicContact CD1-CD2 3.57Å; L406-L498 HydrophobicContact CD1-CG 4.34Å; L406-F510 HydrophobicContact CD1-CB 4.21Å; L406-F510 HydrophobicContact CD1-CD1 4.07Å; L406-F510 HydrophobicContact CD1-CG 4.04Å; L406-F510 HydrophobicContact CD2-CB 3.69Å; L406-F510 HydrophobicContact CD2-CD1 4.39Å; L406-F510 HydrophobicContact CD2-CD2 3.49Å; L406-F510 VanDerWaalsContact CD2-CD2 3.49Å; L406-F510 HydrophobicContact CD2-CE2 4.22Å; L406-F510 HydrophobicContact CD2-CG 3.6Å; L406-F510 HydrophobicContact CG-CG 4.49Å; L406-F517 HydrophobicContact CB-CD1 4.35Å; L406-F517 HydrophobicContact CB-CE1 3.96Å; L406-F517 WeakPolarHBondContact O-CD1 3.46Å
407E88.7Confident89.8Confident94 Ų9439 Ų3944%0.43921%0.205SC..SBendtrans-77.7145.2166.9-70.2179.4-174.800110.3L403 S404 S409 S410 Y417L403-E407 PolarHBondContact O-N 2.77Å; S404-E407 PolarHBondContact O-N 3.07Å; E407-S409 PolarHBondContact O-N 2.75Å; E407-S410 PolarHBondContact O-N 3.06Å; E407-Y417 VanDerWaalsContact C-OH 3.26Å
408P85.2Confident89.5Confident60 Ų6038.1 Ų38.139%0.3920%0.198SC..THydrogen-bonded Turntrans-54.7-30-180-27.233.7000114.3Q411 Y417 F517P408-Q411 WeakPolarHBondContact O-CG 3.32Å; P408-Y417 HydrophobicContact CB-CE2 4.33Å; P408-Y417 WeakPolarHBondContact CD-OH 3.42Å; P408-Y417 HydrophobicContact CG-CE1 4.36Å; P408-Y417 HydrophobicContact CG-CE2 3.92Å; P408-Y417 VanDerWaalsContact N-OH 3.13Å; P408-F517 VanDerWaalsContact CD-O 3.3Å; P408-F517 WeakPolarHBondContact CD-O 3.49Å; P408-F517 WeakPolarHBondContact CG-O 3.44Å
409S86.4Confident88.5Confident95 Ų9546.1 Ų46.166%0.66423%0.233SC*.THydrogen-bonded Turntrans-71.9-28.8179.860.40000113.8E407E407-S409 PolarHBondContact O-N 2.75Å
410S86.5Confident87.3Confident23 Ų2349.4 Ų49.416%0.16126%0.255CS..THydrogen-bonded Turntrans-73.9-40.5-172.8175.80000112.8E407 F412E407-S410 PolarHBondContact O-N 3.06Å; S410-F412 WeakPolarHBondContact O-CD1 3.12Å; S410-F412 VanDerWaalsContact O-CE1 3.31Å; S410-F412 WeakPolarHBondContact O-CE1 3.26Å; S410-F412 PolarHBondContact O-N 2.81Å; S410-F412 WeakPolarHBondContact OG-CD2 3.06Å; S410-F412 VanDerWaalsContact OG-CE2 3.31Å; S410-F412 WeakPolarHBondContact OG-CE2 3.27Å; S410-F412 WeakPolarHBondContact OG-CG 3.33Å
411Q87Confident86Confident89 Ų8944.9 Ų44.942%0.41623%0.234SC..  trans55.318178.7-55.4-170.8-7.400116P292 P408P292-Q411 WeakPolarHBondContact CD-O 3.47Å; P408-Q411 WeakPolarHBondContact O-CG 3.32Å
412F91.9Very high84.2Confident46 Ų4646.3 Ų46.320%0.20225%0.245CC..  trans-78.6-39.3179.7-60.6-24.8000113.3P292 Y293 A356 A359 C405 S410P292-F412 HydrophobicContact CG-CD1 4.02Å; Y293-F412 PolarHBondContact N-O 2.96Å; A356-F412 HydrophobicContact CB-CD1 4.08Å; A356-F412 HydrophobicContact CB-CE1 4.2Å; A356-F412 HydrophobicContact CB-CG 4.4Å; A359-F412 HydrophobicContact CB-CB 4.07Å; A359-F412 HydrophobicContact CB-CD2 4.18Å; C405-F412 HydrophobicContact CB-CD2 4.49Å; S410-F412 WeakPolarHBondContact O-CD1 3.12Å; S410-F412 VanDerWaalsContact O-CE1 3.31Å; S410-F412 WeakPolarHBondContact O-CE1 3.26Å; S410-F412 PolarHBondContact O-N 2.81Å; S410-F412 WeakPolarHBondContact OG-CD2 3.06Å; S410-F412 VanDerWaalsContact OG-CE2 3.31Å; S410-F412 WeakPolarHBondContact OG-CE2 3.27Å; S410-F412 WeakPolarHBondContact OG-CG 3.33Å
413L93.8Very high82.2Confident1 Ų151.5 Ų51.51%0.00527%0.273CS..SBendtrans-112.8153.5-168.1-59.9-176.5000113K291 Y293 A359 A363 L402 C405 L406 V415 F510K291-L413 WeakPolarHBondContact CD-O 3.35Å; K291-L413 PolarHBondContact NZ-O 3.14Å; K291-L413 VanDerWaalsContact NZ-O 3.08Å; Y293-L413 HydrophobicContact CG-CD2 4.45Å; A359-L413 HydrophobicContact CB-CD2 4Å; A359-L413 HydrophobicContact CB-CG 4.29Å; A359-L413 WeakPolarHBondContact O-CD2 3.44Å; A363-L413 HydrophobicContact CB-CD1 4.35Å; A363-L413 HydrophobicContact CB-CD2 3.64Å; L402-L413 HydrophobicContact CD1-CD1 3.83Å; C405-L413 HydrophobicContact CB-CD1 3.75Å; C405-L413 HydrophobicContact CB-CG 4.2Å; L406-L413 HydrophobicContact CD2-CB 3.95Å; L406-L413 HydrophobicContact CD2-CD1 3.86Å; L406-L413 HydrophobicContact CG-CD1 4.34Å; L413-V415 PolarHBondContact O-N 2.89Å; L413-F510 HydrophobicContact CB-CD2 4.42Å; L413-F510 HydrophobicContact CD1-CD2 4.45Å; L413-F510 HydrophobicContact CD1-CE2 3.99Å
414P92.5Very high80.3Confident2 Ų250.4 Ų50.41%0.01327%0.269CS..  trans-73.1109.2169.330.7-33000109.1Y293 F367 H508 W509 F510Y293-P414 VanDerWaalsContact CD1-CD 3.43Å; Y293-P414 HydrophobicContact CD1-CG 3.56Å; Y293-P414 HydrophobicContact CE1-CG 3.83Å; Y293-P414 HydrophobicContact CG-CG 4.37Å; F367-P414 HydrophobicContact CE2-CG 4Å; F367-P414 HydrophobicContact CZ-CG 4.24Å; P414-H508 WeakPolarHBondContact CB-O 3.47Å; P414-H508 VanDerWaalsContact CG-O 3.25Å; P414-H508 WeakPolarHBondContact CG-O 3.32Å; P414-W509 HydrophobicContact CB-CG 4.2Å; P414-W509 WeakPolarHBondContact O-CA 3.43Å; P414-F510 PolarHBondContact O-N 3.24Å
415V92.1Very high78.4Confident18 Ų1851.6 Ų51.611%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-136.6141.4-179.958.80000109.4L406 L413 Y417 F510 A512L406-V415 HydrophobicContact CB-CG2 4.48Å; L406-V415 HydrophobicContact CD2-CB 3.84Å; L406-V415 HydrophobicContact CD2-CG1 4.48Å; L406-V415 HydrophobicContact CD2-CG2 4.03Å; L413-V415 PolarHBondContact O-N 2.89Å; V415-Y417 HydrophobicContact CG1-CE1 4.33Å; V415-Y417 HydrophobicContact CG1-CE2 3.82Å; V415-Y417 WeakPolarHBondContact CG1-OH 3.42Å; V415-Y417 HydrophobicContact CG2-CD1 4.3Å; V415-Y417 HydrophobicContact CG2-CE1 3.67Å; V415-Y417 HydrophobicContact CG2-CE2 4.38Å; V415-F510 CarbonylContact C-O 3.52Å; V415-F510 VanDerWaalsContact CA-O 3.27Å; V415-F510 WeakPolarHBondContact CA-O 3.28Å; V415-F510 HydrophobicContact CB-CB 4.25Å; V415-F510 HydrophobicContact CG2-CB 4.14Å; V415-A512 HydrophobicContact CG2-CB 3.87Å
416I89.8Confident76.4Confident7 Ų760.2 Ų60.24%0.03631%0.31CS..EExtended strand (participates in β ladder)trans-118.1137.3173.958.7179.4000109.9P418 L442 L445 T446 L501 F510 V511 A512I416-P418 WeakPolarHBondContact O-CD 3.39Å; I416-L442 HydrophobicContact CD1-CB 4.09Å; I416-L442 HydrophobicContact CD1-CD2 3.59Å; I416-L442 HydrophobicContact CD1-CG 4.38Å; I416-L442 HydrophobicContact CG1-CD2 4.31Å; I416-L445 HydrophobicContact CB-CB 4.3Å; I416-L445 HydrophobicContact CG2-CB 4Å; I416-T446 HydrophobicContact CD1-CG2 4.28Å; I416-L501 HydrophobicContact CD1-CD2 3.85Å; I416-F510 PolarHBondContact N-O 3.07Å; I416-V511 HydrophobicContact CD1-CG1 4.4Å; I416-V511 HydrophobicContact CD1-CG2 3.83Å; I416-V511 HydrophobicContact CG1-CB 4.22Å; I416-V511 HydrophobicContact CG1-CG1 4.16Å; I416-V511 HydrophobicContact CG1-CG2 3.9Å; I416-A512 PolarHBondContact O-N 2.64Å
417Y87Confident74.3Confident56 Ų5664.3 Ų64.322%0.2234%0.338CS..  trans-115.986.9-179.7-50.6-77.6000109.4L406 E407 P408 V415 K419 A512 F517L406-Y417 WeakPolarHBondContact O-CE1 3.4Å; L406-Y417 PolarHBondContact O-OH 3.24Å; E407-Y417 VanDerWaalsContact C-OH 3.26Å; P408-Y417 HydrophobicContact CB-CE2 4.33Å; P408-Y417 WeakPolarHBondContact CD-OH 3.42Å; P408-Y417 HydrophobicContact CG-CE1 4.36Å; P408-Y417 HydrophobicContact CG-CE2 3.92Å; P408-Y417 VanDerWaalsContact N-OH 3.13Å; V415-Y417 HydrophobicContact CG1-CE1 4.33Å; V415-Y417 HydrophobicContact CG1-CE2 3.82Å; V415-Y417 WeakPolarHBondContact CG1-OH 3.42Å; V415-Y417 HydrophobicContact CG2-CD1 4.3Å; V415-Y417 HydrophobicContact CG2-CE1 3.67Å; V415-Y417 HydrophobicContact CG2-CE2 4.38Å; Y417-K419 PolarHBondContact O-N 3.48Å; Y417-A512 HydrophobicContact CD1-CB 3.69Å; Y417-A512 HydrophobicContact CE1-CB 3.8Å; Y417-F517 HydrophobicContact CD1-CB 3.79Å; Y417-F517 HydrophobicContact CE1-CB 3.62Å; Y417-F517 HydrophobicContact CE1-CG 4.34Å
418P80.1Confident72.5Confident17 Ų1760.6 Ų60.611%0.1132%0.323CS..  trans-72.4117.7-179.232.2-38000110.4I416 N420 F421 L442 L445 V511 T513I416-P418 WeakPolarHBondContact O-CD 3.39Å; P418-N420 PolarHBondContact O-N 2.82Å; P418-F421 HydrophobicContact CB-CB 3.7Å; P418-F421 HydrophobicContact CB-CD2 3.66Å; P418-F421 HydrophobicContact CB-CG 3.91Å; P418-F421 HydrophobicContact CG-CB 3.5Å; P418-F421 VanDerWaalsContact CG-CB 3.5Å; P418-F421 HydrophobicContact CG-CD1 4.2Å; P418-F421 HydrophobicContact CG-CD2 3.64Å; P418-F421 HydrophobicContact CG-CE2 4.34Å; P418-F421 HydrophobicContact CG-CG 3.52Å; P418-L442 HydrophobicContact CB-CD2 3.75Å; P418-L442 HydrophobicContact CG-CD2 3.81Å; P418-L445 HydrophobicContact CB-CD1 4.39Å; P418-V511 HydrophobicContact CG-CG1 4.12Å; P418-T513 HydrophobicContact CG-CG2 4.46Å
419K70.3Confident70.8Confident192 Ų19261 Ų6184%0.83534%0.338SS*.THydrogen-bonded Turntrans-66-35.4-173.3-69.1-176.4178-179.20114.5Y417Y417-K419 PolarHBondContact O-N 3.48Å
420N63Low69.2Low127 Ų12763.6 Ų63.668%0.67934%0.344SS*.THydrogen-bonded Turntrans-107.614.4-172.5-62.7-14.2000113.1P418 S424P418-N420 PolarHBondContact O-N 2.82Å; N420-S424 PolarHBondContact O-N 3.14Å; N420-S424 PolarHBondContact O-OG 3.11Å
421F62Low68.2Low6 Ų665.5 Ų65.53%0.02635%0.352CS..Hα-helixtrans-73.4-33.4-166.6-153.2-104.5000113.8P418 S424 L425 L442 F489 F492 V511 T513P418-F421 HydrophobicContact CB-CB 3.7Å; P418-F421 HydrophobicContact CB-CD2 3.66Å; P418-F421 HydrophobicContact CB-CG 3.91Å; P418-F421 HydrophobicContact CG-CB 3.5Å; P418-F421 VanDerWaalsContact CG-CB 3.5Å; P418-F421 HydrophobicContact CG-CD1 4.2Å; P418-F421 HydrophobicContact CG-CD2 3.64Å; P418-F421 HydrophobicContact CG-CE2 4.34Å; P418-F421 HydrophobicContact CG-CG 3.52Å; F421-S424 PolarHBondContact O-OG 3.17Å; F421-S424 VanDerWaalsContact O-OG 3.09Å; F421-L425 HydrophobicContact CD1-CD1 3.57Å; F421-L425 HydrophobicContact CE1-CD1 3.63Å; F421-L425 WeakPolarHBondContact O-CD1 3.36Å; F421-L425 PolarHBondContact O-N 3.17Å; F421-L442 HydrophobicContact CD2-CD2 4.07Å; F421-L442 HydrophobicContact CD2-CG 4.34Å; F421-L442 HydrophobicContact CE2-CD1 3.46Å; F421-L442 VanDerWaalsContact CE2-CD1 3.46Å; F421-L442 HydrophobicContact CE2-CD2 3.64Å; F421-L442 HydrophobicContact CE2-CG 3.6Å; F421-L442 HydrophobicContact CZ-CD1 3.72Å; F421-L442 HydrophobicContact CZ-CD2 4.28Å; F421-L442 HydrophobicContact CZ-CG 4.32Å; F421-F489 HydrophobicContact CD2-CE1 4.49Å; F421-F489 AromaticContact CE1-CD1 3.9Å; F421-F489 HydrophobicContact CE1-CD1 3.9Å; F421-F489 AromaticContact CE1-CE1 3.61Å; F421-F489 HydrophobicContact CE1-CE1 3.61Å; F421-F489 AromaticContact CE2-CE1 3.54Å; F421-F489 HydrophobicContact CE2-CE1 3.54Å; F421-F489 HydrophobicContact CE2-CZ 4.1Å; F421-F489 AromaticContact CZ-CD1 3.73Å; F421-F489 HydrophobicContact CZ-CD1 3.73Å; F421-F489 AromaticContact CZ-CE1 3.07Å; F421-F489 HydrophobicContact CZ-CE1 3.07Å; F421-F489 AromaticContact CZ-CZ 3.96Å; F421-F489 HydrophobicContact CZ-CZ 3.96Å; F421-F492 HydrophobicContact CE1-CE1 4.16Å; F421-F492 AromaticContact CE1-CE2 3.93Å; F421-F492 HydrophobicContact CE1-CE2 3.93Å; F421-F492 AromaticContact CE1-CZ 3.61Å; F421-F492 HydrophobicContact CE1-CZ 3.61Å; F421-F492 HydrophobicContact CZ-CE2 4.11Å; F421-F492 AromaticContact CZ-CZ 3.79Å; F421-F492 HydrophobicContact CZ-CZ 3.79Å; F421-V511 HydrophobicContact CZ-CG1 4.44Å; F421-T513 HydrophobicContact CD1-CG2 3.24Å; F421-T513 HydrophobicContact CE1-CG2 3.4Å; F421-T513 VanDerWaalsContact CE1-CG2 3.4Å; F421-T513 HydrophobicContact CG-CG2 4.17Å; F421-T513 HydrophobicContact CZ-CG2 4.44Å
422T53.6Low67.2Low56 Ų5664.9 Ų64.934%0.34435%0.347SS..Hα-helixtrans-76-30.4-176.546.30000112.7K426 T513T422-K426 WeakPolarHBondContact O-CG 3.36Å; T422-K426 PolarHBondContact O-N 2.72Å; T422-T513 WeakPolarHBondContact CG2-O 3.46Å
423D50.6Low66Low110 Ų11065.8 Ų65.859%0.58836%0.359SS*.Hα-helixtrans-80-37.7-178.5-66.3-17.1000111K426 S427D423-K426 PolarHBondContact O-N 2.74Å; D423-S427 WeakPolarHBondContact O-CB 3.46Å; D423-S427 PolarHBondContact O-N 2.81Å; D423-S427 VanDerWaalsContact O-N 3.15Å; D423-S427 PolarHBondContact O-OG 3.05Å
424S50Low64.8Low20 Ų2069.8 Ų69.814%0.1438%0.378CS..Hα-helixtrans-63.6-42.4173.655.70000110.9N420 F421 K426 S427 S428N420-S424 PolarHBondContact O-N 3.14Å; N420-S424 PolarHBondContact O-OG 3.11Å; F421-S424 PolarHBondContact O-OG 3.17Å; F421-S424 VanDerWaalsContact O-OG 3.09Å; S424-K426 PolarHBondContact O-N 2.77Å; S424-S427 PolarHBondContact O-N 2.88Å; S424-S428 WeakPolarHBondContact O-CB 3.42Å; S424-S428 PolarHBondContact O-N 2.93Å; S424-S428 PolarHBondContact O-OG 3.35Å
425L52.4Low63.6Low62 Ų6270.4 Ų70.433%0.32538%0.381SS..Hα-helixtrans-65.6-35.4178.8-83.4163.5000115F421 F489F421-L425 HydrophobicContact CD1-CD1 3.57Å; F421-L425 HydrophobicContact CE1-CD1 3.63Å; F421-L425 WeakPolarHBondContact O-CD1 3.36Å; F421-L425 PolarHBondContact O-N 3.17Å; L425-F489 HydrophobicContact CD1-CD1 3.82Å; L425-F489 HydrophobicContact CD1-CE1 4.22Å; L425-F489 HydrophobicContact CD2-CB 3.58Å; L425-F489 HydrophobicContact CD2-CD1 3.35Å; L425-F489 HydrophobicContact CD2-CE1 4.03Å; L425-F489 HydrophobicContact CD2-CG 3.65Å; L425-F489 HydrophobicContact CG-CD1 3.88Å; L425-F489 HydrophobicContact CG-CE1 4.2Å
426K50.7Low62.6Low184 Ų18470.7 Ų70.780%0.838%0.382SS*.Hα-helixtrans-81-26.4-178.8-72.6178.8-179.8178.80113.4T422 D423 S424T422-K426 WeakPolarHBondContact O-CG 3.36Å; T422-K426 PolarHBondContact O-N 2.72Å; D423-K426 PolarHBondContact O-N 2.74Å; S424-K426 PolarHBondContact O-N 2.77Å
427S47.4Very low61.9Low86 Ų8674 Ų7460%0.60140%0.397SS*.Hα-helixtrans-98.9-18.2-177.559.10000114.1D423 S424 G429D423-S427 WeakPolarHBondContact O-CB 3.46Å; D423-S427 PolarHBondContact O-N 2.81Å; D423-S427 VanDerWaalsContact O-N 3.15Å; D423-S427 PolarHBondContact O-OG 3.05Å; S424-S427 PolarHBondContact O-N 2.88Å; S427-G429 VanDerWaalsContact C-N 3.26Å; S427-G429 PolarHBondContact O-N 2.83Å
428S49.5Very low61.3Low16 Ų1672 Ų7211%0.11239%0.391CS..  trans-85.548.9-17359.10000114.7S424 N430S424-S428 WeakPolarHBondContact O-CB 3.42Å; S424-S428 PolarHBondContact O-N 2.93Å; S424-S428 PolarHBondContact O-OG 3.35Å; S428-N430 VanDerWaalsContact C-N 3.28Å; S428-N430 PolarHBondContact O-N 2.91Å
429G49.4Very low61.1Low69 Ų6971.5 Ų71.571%0.71139%0.388SS*.SBendtrans-58.794.8158.700000109.7S427S427-G429 VanDerWaalsContact C-N 3.26Å; S427-G429 PolarHBondContact O-N 2.83Å
430N53.7Low61.5Low149 Ų14963.3 Ų63.380%0.79735%0.353SS*.SBendtrans78.35173.6-58.6-19.5000119.6S428 Y432S428-N430 VanDerWaalsContact C-N 3.28Å; S428-N430 PolarHBondContact O-N 2.91Å; N430-Y432 PolarHBondContact O-N 2.63Å; N430-Y432 VanDerWaalsContact O-N 3.09Å
431N64.8Low62.3Low62 Ų6260.7 Ų60.733%0.33234%0.339SS..  trans-85.586.5177.9-163.1-12.4000112.8S433 Q434 L435N431-S433 PolarHBondContact O-N 3.09Å; N431-S433 PolarHBondContact OD1-N 3.05Å; N431-S433 PolarHBondContact OD1-OG 2.88Å; N431-Q434 HydrophobicContact CB-CB 4.34Å; N431-Q434 HydrophobicContact CB-CG 4.24Å; N431-Q434 VanDerWaalsContact ND2-CD 3.28Å; N431-Q434 WeakPolarHBondContact ND2-CG 3.45Å; N431-Q434 PolarHBondContact ND2-NE2 2.84Å; N431-Q434 PolarHBondContact O-N 3.4Å; N431-Q434 VanDerWaalsContact O-N 3.14Å; N431-L435 PolarHBondContact O-N 2.88Å
432Y66Low63.3Low76 Ų7660.4 Ų60.430%0.29834%0.338SS..Hα-helixtrans-49.6-41.2177.7173.1-107.7000113.6N430 Q434 L435 L436 I480 P482 I485N430-Y432 PolarHBondContact O-N 2.63Å; N430-Y432 VanDerWaalsContact O-N 3.09Å; Y432-Q434 VanDerWaalsContact C-N 3.35Å; Y432-Q434 PolarHBondContact O-N 2.69Å; Y432-L435 PolarHBondContact O-N 3.15Å; Y432-L436 HydrophobicContact CE1-CD2 4.35Å; Y432-L436 WeakPolarHBondContact O-CB 3.12Å; Y432-L436 PolarHBondContact O-N 2.99Å; Y432-I480 VanDerWaalsContact CE2-O 3.31Å; Y432-I480 WeakPolarHBondContact CE2-O 3.35Å; Y432-I480 PolarHBondContact OH-O 3.35Å; Y432-P482 HydrophobicContact CD2-CB 3.64Å; Y432-P482 HydrophobicContact CD2-CG 3.45Å; Y432-P482 VanDerWaalsContact CD2-CG 3.45Å; Y432-P482 HydrophobicContact CE2-CB 4.23Å; Y432-P482 HydrophobicContact CE2-CG 3.77Å; Y432-P482 HydrophobicContact CG-CB 4.45Å; Y432-P482 HydrophobicContact CG-CG 4.12Å; Y432-I485 HydrophobicContact CD2-CD1 4.05Å; Y432-I485 HydrophobicContact CE2-CD1 3.74Å
433S67.1Low64.6Low66 Ų6658 Ų5846%0.46232%0.323SS..Hα-helixtrans-60.9-41.3-178.868.70000112.7N431 L436 E437N431-S433 PolarHBondContact O-N 3.09Å; N431-S433 PolarHBondContact OD1-N 3.05Å; N431-S433 PolarHBondContact OD1-OG 2.88Å; S433-L436 PolarHBondContact O-N 3.46Å; S433-E437 WeakPolarHBondContact O-CG 3.4Å; S433-E437 PolarHBondContact O-N 3.29Å
434Q69.4Low66.1Low84 Ų8455.5 Ų55.539%0.39331%0.308SS..Hα-helixtrans-70.2-37.5-179.8-72.6176.3-15.500112.3N431 Y432 S438N431-Q434 HydrophobicContact CB-CB 4.34Å; N431-Q434 HydrophobicContact CB-CG 4.24Å; N431-Q434 VanDerWaalsContact ND2-CD 3.28Å; N431-Q434 WeakPolarHBondContact ND2-CG 3.45Å; N431-Q434 PolarHBondContact ND2-NE2 2.84Å; N431-Q434 PolarHBondContact O-N 3.4Å; N431-Q434 VanDerWaalsContact O-N 3.14Å; Y432-Q434 VanDerWaalsContact C-N 3.35Å; Y432-Q434 PolarHBondContact O-N 2.69Å; Q434-S438 PolarHBondContact O-N 2.82Å; Q434-S438 PolarHBondContact O-OG 3.2Å
435L67.8Low67.7Low15 Ų1559.1 Ų59.18%0.07933%0.325CS..Hα-helixtrans-70.4-37.6177.6-66.7167.3000111.5N431 Y432 S438 V439 I485 F489N431-L435 PolarHBondContact O-N 2.88Å; Y432-L435 PolarHBondContact O-N 3.15Å; L435-S438 WeakPolarHBondContact O-CB 3.44Å; L435-S438 PolarHBondContact O-N 2.78Å; L435-V439 WeakPolarHBondContact O-CG2 3.47Å; L435-V439 PolarHBondContact O-N 3.2Å; L435-I485 HydrophobicContact CB-CD1 4.39Å; L435-I485 HydrophobicContact CB-CG2 3.34Å; L435-I485 HydrophobicContact CD1-CG2 3.68Å; L435-I485 HydrophobicContact CD2-CG2 4.21Å; L435-I485 HydrophobicContact CG-CG2 3.94Å; L435-F489 HydrophobicContact CD2-CD2 4.18Å; L435-F489 HydrophobicContact CD2-CE2 4.1Å; L435-F489 HydrophobicContact CD2-CZ 4.46Å
436L70Confident69Low25 Ų2557 Ų5713%0.13132%0.316CS..Hα-helixtrans-61.5-48.3173178.860.2000111.2Y432 S433 S438 V439 L440 F478 I480Y432-L436 HydrophobicContact CE1-CD2 4.35Å; Y432-L436 WeakPolarHBondContact O-CB 3.12Å; Y432-L436 PolarHBondContact O-N 2.99Å; S433-L436 PolarHBondContact O-N 3.46Å; L436-S438 VanDerWaalsContact C-N 3.27Å; L436-S438 PolarHBondContact O-N 3.43Å; L436-V439 PolarHBondContact O-N 3.21Å; L436-V439 VanDerWaalsContact O-N 3.15Å; L436-L440 HydrophobicContact CG-CD1 4.42Å; L436-L440 WeakPolarHBondContact O-CG 3.4Å; L436-L440 PolarHBondContact O-N 2.85Å; L436-F478 HydrophobicContact CD2-CE1 4.35Å; L436-I480 HydrophobicContact CD1-CD1 3.27Å
437E75.1Confident70.1Confident75 Ų7549.7 Ų49.735%0.3529%0.287SS..Hα-helixtrans-58-39.8174.5-73.6-62130.900111.6S433 V439 L440 D441 R452S433-E437 WeakPolarHBondContact O-CG 3.4Å; S433-E437 PolarHBondContact O-N 3.29Å; E437-V439 VanDerWaalsContact C-N 3.34Å; E437-V439 PolarHBondContact O-N 3.35Å; E437-L440 PolarHBondContact O-N 2.62Å; E437-D441 WeakPolarHBondContact O-CB 3.01Å; E437-D441 VanDerWaalsContact O-CG 3.3Å; E437-D441 PolarHBondContact O-N 3Å; E437-R452 IonicContact OE1-NH1 2.65Å; E437-R452 IonicContact OE2-CZ 2.72Å; E437-R452 IonicContact OE2-NH1 3.58Å; E437-R452 PolarHBondContact OE2-NH1 3.08Å; E437-R452 IonicContact OE2-NH2 2.87Å; E437-R452 PolarHBondContact OE2-NH2 3.17Å; E437-R452 VanDerWaalsContact OE2-NH2 3.15Å
438S74.4Confident71.3Confident14 Ų1453.8 Ų53.810%0.09830%0.302CS..Hα-helixtrans-62.1-39.6176.9-60.40000112.5Q434 L435 L436 L442Q434-S438 PolarHBondContact O-N 2.82Å; Q434-S438 PolarHBondContact O-OG 3.2Å; L435-S438 WeakPolarHBondContact O-CB 3.44Å; L435-S438 PolarHBondContact O-N 2.78Å; L436-S438 VanDerWaalsContact C-N 3.27Å; L436-S438 PolarHBondContact O-N 3.43Å; S438-L442 WeakPolarHBondContact O-CG 3.22Å; S438-L442 PolarHBondContact O-N 3.45Å
439V76.2Confident72.8Confident7 Ų754.3 Ų54.34%0.04230%0.303CS..Hα-helixtrans-67-42.3175.2172.20000110.7L435 L436 E437 L442 I443 L471 F489L435-V439 WeakPolarHBondContact O-CG2 3.47Å; L435-V439 PolarHBondContact O-N 3.2Å; L436-V439 PolarHBondContact O-N 3.21Å; L436-V439 VanDerWaalsContact O-N 3.15Å; E437-V439 VanDerWaalsContact C-N 3.34Å; E437-V439 PolarHBondContact O-N 3.35Å; V439-L442 WeakPolarHBondContact O-CB 3.29Å; V439-L442 PolarHBondContact O-N 2.9Å; V439-I443 HydrophobicContact CG1-CD1 3.83Å; V439-I443 WeakPolarHBondContact O-CD1 3.46Å; V439-I443 VanDerWaalsContact O-CG1 3.3Å; V439-I443 WeakPolarHBondContact O-CG1 3.4Å; V439-I443 PolarHBondContact O-N 2.8Å; V439-L471 HydrophobicContact CB-CD1 4.4Å; V439-L471 HydrophobicContact CG1-CD1 3.66Å; V439-L471 HydrophobicContact CG2-CD1 3.74Å; V439-F489 HydrophobicContact CG2-CE2 3.91Å; V439-F489 HydrophobicContact CG2-CZ 4.15Å
440L77.9Confident74.3Confident20 Ų2059.8 Ų59.811%0.10531%0.307CS..Hα-helixtrans-63.4-42.8176.3-66.3176.9000111.7L436 E437 L442 I443 M444 L456L436-L440 HydrophobicContact CG-CD1 4.42Å; L436-L440 WeakPolarHBondContact O-CG 3.4Å; L436-L440 PolarHBondContact O-N 2.85Å; E437-L440 PolarHBondContact O-N 2.62Å; L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 3.29Å; L440-I443 HydrophobicContact CD2-CD1 4.39Å; L440-I443 WeakPolarHBondContact O-CB 3.48Å; L440-I443 PolarHBondContact O-N 2.88Å; L440-I443 VanDerWaalsContact O-N 3.16Å; L440-M444 WeakPolarHBondContact O-CB 3.36Å; L440-M444 VanDerWaalsContact O-CG 3.26Å; L440-M444 WeakPolarHBondContact O-CG 3.29Å; L440-M444 PolarHBondContact O-N 2.62Å; L440-L456 HydrophobicContact CD1-CD2 4.46Å; L440-L456 HydrophobicContact CD2-CD2 3.33Å; L440-L456 HydrophobicContact CD2-CG 4.08Å
441D80.9Confident75.9Confident73 Ų7356.6 Ų56.639%0.3929%0.29SS..Hα-helixtrans-62.5-40.2176-72.9-17.9000111.3E437 I443 M444 L445 R452E437-D441 WeakPolarHBondContact O-CB 3.01Å; E437-D441 VanDerWaalsContact O-CG 3.3Å; E437-D441 PolarHBondContact O-N 3Å; D441-I443 PolarHBondContact O-N 2.79Å; D441-M444 PolarHBondContact O-N 3.46Å; D441-L445 VanDerWaalsContact O-CG 3.28Å; D441-L445 WeakPolarHBondContact O-CG 3.32Å; D441-L445 PolarHBondContact O-N 2.98Å; D441-L445 VanDerWaalsContact O-N 3.17Å; D441-R452 IonicContact OD1-NH2 3.35Å; D441-R452 PolarHBondContact OD1-NH2 3.46Å
442L81.8Confident76.7Confident0 Ų059.1 Ų59.10%030%0.295CS..Hα-helixtrans-58.8-47.8171.6-73178.5000111.7I416 P418 F421 S438 V439 L440 M444 L445 T446 L466 L501 V511I416-L442 HydrophobicContact CD1-CB 4.09Å; I416-L442 HydrophobicContact CD1-CD2 3.59Å; I416-L442 HydrophobicContact CD1-CG 4.38Å; I416-L442 HydrophobicContact CG1-CD2 4.31Å; P418-L442 HydrophobicContact CB-CD2 3.75Å; P418-L442 HydrophobicContact CG-CD2 3.81Å; F421-L442 HydrophobicContact CD2-CD2 4.07Å; F421-L442 HydrophobicContact CD2-CG 4.34Å; F421-L442 HydrophobicContact CE2-CD1 3.46Å; F421-L442 VanDerWaalsContact CE2-CD1 3.46Å; F421-L442 HydrophobicContact CE2-CD2 3.64Å; F421-L442 HydrophobicContact CE2-CG 3.6Å; F421-L442 HydrophobicContact CZ-CD1 3.72Å; F421-L442 HydrophobicContact CZ-CD2 4.28Å; F421-L442 HydrophobicContact CZ-CG 4.32Å; S438-L442 WeakPolarHBondContact O-CG 3.22Å; S438-L442 PolarHBondContact O-N 3.45Å; V439-L442 WeakPolarHBondContact O-CB 3.29Å; V439-L442 PolarHBondContact O-N 2.9Å; L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 3.29Å; L442-M444 VanDerWaalsContact C-N 3.31Å; L442-M444 PolarHBondContact O-N 2.61Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 3.39Å; L442-L445 VanDerWaalsContact O-N 3.08Å; L442-T446 WeakPolarHBondContact O-CG2 3.18Å; L442-T446 PolarHBondContact O-N 3.17Å; L442-L466 HydrophobicContact CD1-CD2 4.48Å; L442-L501 HydrophobicContact CB-CD2 4.1Å; L442-V511 HydrophobicContact CD1-CG1 4.48Å; L442-V511 HydrophobicContact CD2-CG1 3.75Å
443I81.3Confident77.6Confident6 Ų659.4 Ų59.43%0.03131%0.308CS..Hα-helixtrans-60.9-43.4179.3-68.3156.3000110.3V439 L440 D441 L445 T446 F449 A455 C459 V464V439-I443 HydrophobicContact CG1-CD1 3.83Å; V439-I443 WeakPolarHBondContact O-CD1 3.46Å; V439-I443 VanDerWaalsContact O-CG1 3.3Å; V439-I443 WeakPolarHBondContact O-CG1 3.4Å; V439-I443 PolarHBondContact O-N 2.8Å; L440-I443 HydrophobicContact CD2-CD1 4.39Å; L440-I443 WeakPolarHBondContact O-CB 3.48Å; L440-I443 PolarHBondContact O-N 2.88Å; L440-I443 VanDerWaalsContact O-N 3.16Å; D441-I443 PolarHBondContact O-N 2.79Å; I443-L445 PolarHBondContact O-N 2.91Å; I443-L445 VanDerWaalsContact O-N 3.17Å; I443-T446 WeakPolarHBondContact O-CB 3.43Å; I443-T446 PolarHBondContact O-N 3.16Å; I443-T446 PolarHBondContact O-OG1 3.49Å; I443-F449 HydrophobicContact CG2-CD2 4.35Å; I443-F449 HydrophobicContact CG2-CE2 3.74Å; I443-F449 HydrophobicContact CG2-CZ 4.5Å; I443-A455 HydrophobicContact CG2-CB 4.08Å; I443-C459 VanDerWaalsContact CD1-SG 3.57Å; I443-C459 VanDerWaalsContact CG2-SG 3.53Å; I443-V464 HydrophobicContact CD1-CG1 4.33Å; I443-V464 HydrophobicContact CD1-CG2 4.13Å
444M83.4Confident78.5Confident57 Ų5759.5 Ų59.528%0.28130%0.301SS..Hα-helixtrans-60.8-24177.1-71.3-60.2-6200112.8L440 D441 L442 F449 R452 A455L440-M444 WeakPolarHBondContact O-CB 3.36Å; L440-M444 VanDerWaalsContact O-CG 3.26Å; L440-M444 WeakPolarHBondContact O-CG 3.29Å; L440-M444 PolarHBondContact O-N 2.62Å; D441-M444 PolarHBondContact O-N 3.46Å; L442-M444 VanDerWaalsContact C-N 3.31Å; L442-M444 PolarHBondContact O-N 2.61Å; M444-F449 HydrophobicContact SD-CB 4.42Å; M444-R452 HydrophobicContact CE-CG 4.22Å; M444-R452 HydrophobicContact CG-CG 4.2Å; M444-R452 HydrophobicContact SD-CB 4.38Å; M444-R452 HydrophobicContact SD-CG 3.86Å; M444-A455 HydrophobicContact SD-CB 3.5Å; M444-A455 WeakPolarHBondContact SD-CB 3.4Å
445L82.6Confident79.1Confident95 Ų9555.7 Ų55.750%0.49728%0.284SS..THydrogen-bonded Turntrans-85.1-11.3175.2-65.5170.7000114I416 P418 D441 L442 I443I416-L445 HydrophobicContact CB-CB 4.3Å; I416-L445 HydrophobicContact CG2-CB 4Å; P418-L445 HydrophobicContact CB-CD1 4.39Å; D441-L445 VanDerWaalsContact O-CG 3.28Å; D441-L445 WeakPolarHBondContact O-CG 3.32Å; D441-L445 PolarHBondContact O-N 2.98Å; D441-L445 VanDerWaalsContact O-N 3.17Å; L442-L445 WeakPolarHBondContact O-CB 3.47Å; L442-L445 PolarHBondContact O-N 3.39Å; L442-L445 VanDerWaalsContact O-N 3.08Å; I443-L445 PolarHBondContact O-N 2.91Å; I443-L445 VanDerWaalsContact O-N 3.17Å
446T80.1Confident79.8Confident19 Ų1956.8 Ų56.812%0.11729%0.29CS..THydrogen-bonded Turntrans-80.8-52.8-172.757.90000114.1I416 L442 I443 L501 W509I416-T446 HydrophobicContact CD1-CG2 4.28Å; L442-T446 WeakPolarHBondContact O-CG2 3.18Å; L442-T446 PolarHBondContact O-N 3.17Å; I443-T446 WeakPolarHBondContact O-CB 3.43Å; I443-T446 PolarHBondContact O-N 3.16Å; I443-T446 PolarHBondContact O-OG1 3.49Å; T446-L501 HydrophobicContact CG2-CD2 3.4Å; T446-L501 VanDerWaalsContact CG2-CD2 3.4Å; T446-L501 HydrophobicContact CG2-CG 4.47Å; T446-W509 VanDerWaalsContact CB-CE2 3.47Å; T446-W509 HydrophobicContact CG2-CD2 3.61Å; T446-W509 HydrophobicContact CG2-CE3 3.72Å; T446-W509 HydrophobicContact CG2-CG 4.02Å; T446-W509 HydrophobicContact CG2-CH2 4.3Å; T446-W509 HydrophobicContact CG2-CZ2 4.25Å; T446-W509 HydrophobicContact CG2-CZ3 4.06Å; T446-W509 PolarHBondContact O-NE1 2.78Å; T446-W509 VanDerWaalsContact O-NE1 3.15Å
447S72.5Confident80.4Confident29 Ų2961.8 Ų61.820%0.20331%0.312CS..SBendtrans-126.2157.7-173.7-65.80000109.1F449S447-F449 PolarHBondContact O-N 3Å
448N73.2Confident80.7Confident172 Ų17259.6 Ų59.692%0.9230%0.304SS*.  trans-75.658.4178.3-68.8-13.3000111.4
449F81.4Confident81.1Confident28 Ų2859 Ų5912%0.12330%0.3CS..  trans-62.7136170.2-62.5-62.7000109.3I443 M444 S447 D451 E454 A455 T458 L503I443-F449 HydrophobicContact CG2-CD2 4.35Å; I443-F449 HydrophobicContact CG2-CE2 3.74Å; I443-F449 HydrophobicContact CG2-CZ 4.5Å; M444-F449 HydrophobicContact SD-CB 4.42Å; S447-F449 PolarHBondContact O-N 3Å; F449-D451 VanDerWaalsContact C-N 3.32Å; F449-E454 HydrophobicContact CD1-CG 4.07Å; F449-A455 HydrophobicContact CB-CB 3.98Å; F449-A455 HydrophobicContact CD1-CB 4.16Å; F449-A455 HydrophobicContact CD2-CB 3.59Å; F449-A455 HydrophobicContact CE2-CB 4.05Å; F449-A455 HydrophobicContact CG-CB 3.64Å; F449-T458 HydrophobicContact CE1-CG2 3.8Å; F449-T458 WeakPolarHBondContact CE1-OG1 3.16Å; F449-T458 HydrophobicContact CZ-CG2 3.94Å; F449-L503 HydrophobicContact CZ-CD2 3.92Å
450K81.9Confident81.4Confident183 Ų18360.9 Ų60.980%0.79631%0.308SS*.SBendtrans-66.5-38.9178.7-64.9172-177175.20111.2E454K450-E454 WeakPolarHBondContact CB-OE2 3.39Å; K450-E454 VanDerWaalsContact CG-OE2 3.26Å; K450-E454 WeakPolarHBondContact CG-OE2 3.47Å; K450-E454 PolarHBondContact N-OE2 3.09Å
451D85.2Confident81.7Confident83 Ų8364 Ų6444%0.44433%0.327SS..SBendtrans-153.2174.8-179.661.548.7000111.6F449 S453 E454 A455F449-D451 VanDerWaalsContact C-N 3.32Å; D451-S453 PolarHBondContact O-N 3.02Å; D451-S453 VanDerWaalsContact OD1-CA 3.31Å; D451-S453 WeakPolarHBondContact OD1-CA 3.49Å; D451-S453 WeakPolarHBondContact OD1-CB 3.22Å; D451-S453 PolarHBondContact OD1-N 3.45Å; D451-E454 PolarHBondContact O-N 3.34Å; D451-E454 PolarHBondContact OD1-N 2.83Å; D451-A455 PolarHBondContact O-N 3.32Å
452R83.5Confident81.8Confident115 Ų11564.7 Ų64.743%0.43433%0.325SS..Hα-helixtrans-63.8-28178.6-72.9-179.9167.8-157.3-9.7112.9E437 D441 M444 L456E437-R452 IonicContact OE1-NH1 2.65Å; E437-R452 IonicContact OE2-CZ 2.72Å; E437-R452 IonicContact OE2-NH1 3.58Å; E437-R452 PolarHBondContact OE2-NH1 3.08Å; E437-R452 IonicContact OE2-NH2 2.87Å; E437-R452 PolarHBondContact OE2-NH2 3.17Å; E437-R452 VanDerWaalsContact OE2-NH2 3.15Å; D441-R452 IonicContact OD1-NH2 3.35Å; D441-R452 PolarHBondContact OD1-NH2 3.46Å; M444-R452 HydrophobicContact CE-CG 4.22Å; M444-R452 HydrophobicContact CG-CG 4.2Å; M444-R452 HydrophobicContact SD-CB 4.38Å; M444-R452 HydrophobicContact SD-CG 3.86Å; R452-L456 VanDerWaalsContact O-CB 3.29Å; R452-L456 WeakPolarHBondContact O-CB 3.32Å; R452-L456 VanDerWaalsContact O-CG 3.24Å; R452-L456 WeakPolarHBondContact O-CG 3.05Å; R452-L456 PolarHBondContact O-N 3.44Å
453S84.1Confident82Confident82 Ų8265 Ų6557%0.57333%0.328SS*.Hα-helixtrans-68.5-46.1-179.9-169.70000110.8D451 A455 L456 Q457D451-S453 PolarHBondContact O-N 3.02Å; D451-S453 VanDerWaalsContact OD1-CA 3.31Å; D451-S453 WeakPolarHBondContact OD1-CA 3.49Å; D451-S453 WeakPolarHBondContact OD1-CB 3.22Å; D451-S453 PolarHBondContact OD1-N 3.45Å; S453-A455 PolarHBondContact O-N 3.27Å; S453-L456 PolarHBondContact O-N 3.43Å; S453-Q457 WeakPolarHBondContact O-CB 3.21Å; S453-Q457 PolarHBondContact O-N 2.88Å
454E84.7Confident82.3Confident68 Ų6864.9 Ų64.932%0.31833%0.327SS..Hα-helixtrans-62.1-43.3175.3-173.1-177.4-170.900111.8F449 K450 D451 L456 Q457 T458F449-E454 HydrophobicContact CD1-CG 4.07Å; K450-E454 WeakPolarHBondContact CB-OE2 3.39Å; K450-E454 VanDerWaalsContact CG-OE2 3.26Å; K450-E454 WeakPolarHBondContact CG-OE2 3.47Å; K450-E454 PolarHBondContact N-OE2 3.09Å; D451-E454 PolarHBondContact O-N 3.34Å; D451-E454 PolarHBondContact OD1-N 2.83Å; E454-L456 PolarHBondContact O-N 2.79Å; E454-Q457 PolarHBondContact O-N 3.32Å; E454-T458 WeakPolarHBondContact O-CB 3.45Å; E454-T458 PolarHBondContact O-N 3.45Å; E454-T458 PolarHBondContact O-OG1 3.08Å
455A83.2Confident82.6Confident3 Ų362.8 Ų62.83%0.02532%0.318CS..Hα-helixtrans-59.2-48.3176.200000111.4I443 M444 F449 D451 S453 T458 C459I443-A455 HydrophobicContact CG2-CB 4.08Å; M444-A455 HydrophobicContact SD-CB 3.5Å; M444-A455 WeakPolarHBondContact SD-CB 3.4Å; F449-A455 HydrophobicContact CB-CB 3.98Å; F449-A455 HydrophobicContact CD1-CB 4.16Å; F449-A455 HydrophobicContact CD2-CB 3.59Å; F449-A455 HydrophobicContact CE2-CB 4.05Å; F449-A455 HydrophobicContact CG-CB 3.64Å; D451-A455 PolarHBondContact O-N 3.32Å; S453-A455 PolarHBondContact O-N 3.27Å; A455-T458 PolarHBondContact O-N 2.98Å; A455-C459 WeakPolarHBondContact O-CB 3.42Å; A455-C459 PolarHBondContact O-N 2.98Å; A455-C459 PolarHBondContact O-SG 2.97Å
456L81.8Confident82.9Confident39 Ų3958.2 Ų58.220%0.20429%0.294CS..Hα-helixtrans-60.9-49.3177.2-81.3172.6000112L440 R452 S453 E454 T458 C459 F460 F478L440-L456 HydrophobicContact CD1-CD2 4.46Å; L440-L456 HydrophobicContact CD2-CD2 3.33Å; L440-L456 HydrophobicContact CD2-CG 4.08Å; R452-L456 VanDerWaalsContact O-CB 3.29Å; R452-L456 WeakPolarHBondContact O-CB 3.32Å; R452-L456 VanDerWaalsContact O-CG 3.24Å; R452-L456 WeakPolarHBondContact O-CG 3.05Å; R452-L456 PolarHBondContact O-N 3.44Å; S453-L456 PolarHBondContact O-N 3.43Å; E454-L456 PolarHBondContact O-N 2.79Å; L456-T458 VanDerWaalsContact C-N 3.27Å; L456-T458 PolarHBondContact O-N 3.34Å; L456-C459 WeakPolarHBondContact O-CA 3.33Å; L456-C459 WeakPolarHBondContact O-CB 3.46Å; L456-C459 PolarHBondContact O-N 2.88Å; L456-C459 VanDerWaalsContact O-N 3.08Å; L456-F460 HydrophobicContact CB-CE2 4Å; L456-F460 HydrophobicContact CD2-CE2 4.27Å; L456-F460 HydrophobicContact CD2-CZ 4.37Å; L456-F460 WeakPolarHBondContact O-CD2 3.44Å; L456-F460 WeakPolarHBondContact O-CE2 3.26Å; L456-F460 PolarHBondContact O-N 3.15Å; L456-F478 HydrophobicContact CD1-CE2 4.38Å; L456-F478 HydrophobicContact CD1-CZ 4.35Å; L456-F478 HydrophobicContact CD2-CE2 3.96Å; L456-F478 HydrophobicContact CD2-CZ 3.54Å
457Q82.8Confident83.3Confident129 Ų12957.4 Ų57.460%0.60329%0.289SS*.Hα-helixtrans-58.3-41.5178-173176.71.700111.8S453 E454 F460 T461S453-Q457 WeakPolarHBondContact O-CB 3.21Å; S453-Q457 PolarHBondContact O-N 2.88Å; E454-Q457 PolarHBondContact O-N 3.32Å; Q457-F460 PolarHBondContact O-N 2.89Å; Q457-T461 WeakPolarHBondContact O-CB 3.38Å; Q457-T461 PolarHBondContact O-N 3.08Å; Q457-T461 PolarHBondContact O-OG1 2.75Å
458T82.7Confident84Confident30 Ų3058.7 Ų58.718%0.18430%0.298CS..Hα-helixtrans-63.3-43.7175.4-59.80000111.2F449 E454 A455 L456 T461 R462 L503F449-T458 HydrophobicContact CE1-CG2 3.8Å; F449-T458 WeakPolarHBondContact CE1-OG1 3.16Å; F449-T458 HydrophobicContact CZ-CG2 3.94Å; E454-T458 WeakPolarHBondContact O-CB 3.45Å; E454-T458 PolarHBondContact O-N 3.45Å; E454-T458 PolarHBondContact O-OG1 3.08Å; A455-T458 PolarHBondContact O-N 2.98Å; L456-T458 VanDerWaalsContact C-N 3.27Å; L456-T458 PolarHBondContact O-N 3.34Å; T458-T461 PolarHBondContact O-N 3.44Å; T458-R462 HydrophobicContact CG2-CG 4.41Å; T458-R462 VanDerWaalsContact O-CB 3.32Å; T458-R462 WeakPolarHBondContact O-CB 3.28Å; T458-R462 WeakPolarHBondContact O-CG 3.5Å; T458-R462 PolarHBondContact O-N 2.92Å; T458-L503 HydrophobicContact CG2-CD2 4.04Å
459C82.8Confident84.7Confident2 Ų251 Ų511%0.01426%0.257CS..Hα-helixtrans-60.4-45.2176-690000111.8I443 A455 L456 T461 R462 G463 V464 L472 L503I443-C459 VanDerWaalsContact CD1-SG 3.57Å; I443-C459 VanDerWaalsContact CG2-SG 3.53Å; A455-C459 WeakPolarHBondContact O-CB 3.42Å; A455-C459 PolarHBondContact O-N 2.98Å; A455-C459 PolarHBondContact O-SG 2.97Å; L456-C459 WeakPolarHBondContact O-CA 3.33Å; L456-C459 WeakPolarHBondContact O-CB 3.46Å; L456-C459 PolarHBondContact O-N 2.88Å; L456-C459 VanDerWaalsContact O-N 3.08Å; C459-T461 VanDerWaalsContact C-N 3.29Å; C459-T461 PolarHBondContact O-N 3.1Å; C459-R462 PolarHBondContact O-N 3.26Å; C459-G463 VanDerWaalsContact O-CA 3.3Å; C459-G463 WeakPolarHBondContact O-CA 3.41Å; C459-G463 PolarHBondContact O-N 2.93Å; C459-V464 HydrophobicContact CB-CG2 3.62Å; C459-V464 WeakPolarHBondContact SG-CG2 3.42Å; C459-L472 HydrophobicContact CB-CD2 3.67Å; C459-L472 WeakPolarHBondContact O-CD2 3.45Å; C459-L503 HydrophobicContact CB-CD1 4.49Å
460F81.7Confident84.9Confident46 Ų4653.4 Ų53.420%0.20227%0.271CS..Hα-helixtrans-59.8-42.2175.6-69.4-57.5000112.5L456 Q457 R462 L472 G475 S476 F478L456-F460 HydrophobicContact CB-CE2 4Å; L456-F460 HydrophobicContact CD2-CE2 4.27Å; L456-F460 HydrophobicContact CD2-CZ 4.37Å; L456-F460 WeakPolarHBondContact O-CD2 3.44Å; L456-F460 WeakPolarHBondContact O-CE2 3.26Å; L456-F460 PolarHBondContact O-N 3.15Å; Q457-F460 PolarHBondContact O-N 2.89Å; F460-R462 VanDerWaalsContact C-N 3.31Å; F460-R462 PolarHBondContact O-N 3.34Å; F460-L472 HydrophobicContact CD1-CD1 3.95Å; F460-L472 HydrophobicContact CD1-CD2 3.73Å; F460-L472 HydrophobicContact CD1-CG 4.29Å; F460-L472 HydrophobicContact CE1-CD1 3.64Å; F460-L472 HydrophobicContact CE1-CD2 3.81Å; F460-L472 HydrophobicContact CE1-CG 4.33Å; F460-L472 HydrophobicContact CG-CD2 4.35Å; F460-L472 HydrophobicContact CZ-CD2 4.48Å; F460-G475 PolarHBondContact O-N 3.15Å; F460-S476 WeakPolarHBondContact CD1-O 3.48Å; F460-F478 HydrophobicContact CE1-CB 4.32Å; F460-F478 AromaticContact CE1-CD2 3.81Å; F460-F478 HydrophobicContact CE1-CD2 3.81Å; F460-F478 HydrophobicContact CE1-CE2 4.29Å; F460-F478 AromaticContact CE1-CG 3.96Å; F460-F478 HydrophobicContact CE1-CG 3.96Å; F460-F478 AromaticContact CE2-CD2 3.81Å; F460-F478 HydrophobicContact CE2-CD2 3.81Å; F460-F478 AromaticContact CE2-CE2 3.7Å; F460-F478 HydrophobicContact CE2-CE2 3.7Å; F460-F478 HydrophobicContact CZ-CB 4.4Å; F460-F478 HydrophobicContact CZ-CD1 4.24Å; F460-F478 AromaticContact CZ-CD2 3.07Å; F460-F478 HydrophobicContact CZ-CD2 3.07Å; F460-F478 HydrophobicContact CZ-CE1 4.32Å; F460-F478 AromaticContact CZ-CE2 3.2Å; F460-F478 HydrophobicContact CZ-CE2 3.2Å; F460-F478 AromaticContact CZ-CG 3.64Å; F460-F478 HydrophobicContact CZ-CG 3.64Å; F460-F478 AromaticContact CZ-CZ 3.85Å; F460-F478 HydrophobicContact CZ-CZ 3.85Å
461T83.7Confident85Confident84 Ų8445 Ų4552%0.51524%0.235SC..Hα-helixtrans-71.2-30-175.5-560000112Q457 T458 C459 K474Q457-T461 WeakPolarHBondContact O-CB 3.38Å; Q457-T461 PolarHBondContact O-N 3.08Å; Q457-T461 PolarHBondContact O-OG1 2.75Å; T458-T461 PolarHBondContact O-N 3.44Å; C459-T461 VanDerWaalsContact C-N 3.29Å; C459-T461 PolarHBondContact O-N 3.1Å; T461-K474 VanDerWaalsContact O-CE 3.27Å; T461-K474 WeakPolarHBondContact O-CE 3.47Å; T461-K474 WeakPolarHBondContact O-CG 3.38Å
462R84.2Confident84.9Confident89 Ų8941.4 Ų41.434%0.33622%0.216SC..Hα-helixtrans-113.3-27.6-168.9-62.9-178.660.1-176.1-11.2113.8T458 C459 F460 L503 G504 E507T458-R462 HydrophobicContact CG2-CG 4.41Å; T458-R462 VanDerWaalsContact O-CB 3.32Å; T458-R462 WeakPolarHBondContact O-CB 3.28Å; T458-R462 WeakPolarHBondContact O-CG 3.5Å; T458-R462 PolarHBondContact O-N 2.92Å; C459-R462 PolarHBondContact O-N 3.26Å; F460-R462 VanDerWaalsContact C-N 3.31Å; F460-R462 PolarHBondContact O-N 3.34Å; R462-L503 PolarHBondContact NH2-O 3.35Å; R462-G504 VanDerWaalsContact O-CA 3.32Å; R462-G504 WeakPolarHBondContact O-CA 3.41Å; R462-E507 IonicContact CZ-OE2 3.44Å; R462-E507 IonicContact NH1-OE2 3.95Å; R462-E507 PolarHBondContact NH1-OE2 3.02Å; R462-E507 IonicContact NH2-OE2 3.7Å; R462-E507 PolarHBondContact NH2-OE2 3.35Å
463G85.2Confident84.7Confident7 Ų742.8 Ų42.87%0.07223%0.225CC..  trans81.7154.4-169.900000112.6C459 L472 G504C459-G463 VanDerWaalsContact O-CA 3.3Å; C459-G463 WeakPolarHBondContact O-CA 3.41Å; C459-G463 PolarHBondContact O-N 2.93Å; G463-L472 CarbonylContact C-O 3.48Å; G463-L472 WeakPolarHBondContact CA-O 3.16Å; G463-G504 PolarHBondContact O-N 3.32Å
464V87.6Confident84.4Confident3 Ų346.4 Ų46.42%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-129.1130.3-178.7-1770000109.4I443 C459 L471 L472 L501 L503I443-V464 HydrophobicContact CD1-CG1 4.33Å; I443-V464 HydrophobicContact CD1-CG2 4.13Å; C459-V464 HydrophobicContact CB-CG2 3.62Å; C459-V464 WeakPolarHBondContact SG-CG2 3.42Å; V464-L471 HydrophobicContact CB-CB 4.46Å; V464-L471 HydrophobicContact CG1-CB 4.41Å; V464-L471 HydrophobicContact CG1-CD1 4.33Å; V464-L471 PolarHBondContact O-N 2.83Å; V464-L472 HydrophobicContact CB-CB 4.17Å; V464-L472 HydrophobicContact CG2-CB 4.34Å; V464-L472 HydrophobicContact CG2-CD2 4.49Å; V464-L472 PolarHBondContact N-O 3.42Å; V464-L472 PolarHBondContact O-N 2.99Å; V464-L472 VanDerWaalsContact O-N 3.15Å; V464-L501 HydrophobicContact CG1-CD1 3.84Å; V464-L503 HydrophobicContact CG2-CD1 3.83Å
465V89.3Confident83.9Confident12 Ų1246.4 Ų46.47%0.07325%0.248CC..EExtended strand (participates in β ladder)trans-126.3130.8176.1-175.70000109V469 N470 R502V465-V469 VanDerWaalsContact CA-O 3.31Å; V465-V469 WeakPolarHBondContact CA-O 3.36Å; V465-V469 WeakPolarHBondContact CG1-O 3.1Å; V465-N470 WeakPolarHBondContact CG2-OD1 3.31Å; V465-R502 HydrophobicContact CB-CB 4.27Å; V465-R502 PolarHBondContact N-O 3.46Å; V465-R502 PolarHBondContact O-N 2.87Å
466L89.4Confident83.2Confident0 Ų048.1 Ų48.10%026%0.26CS..EExtended strand (participates in β ladder)trans-122.9124.6173.517865.7000108.2L442 S468 V469 L471 A488 F489 F492 I500 L501 V511L442-L466 HydrophobicContact CD1-CD2 4.48Å; L466-S468 VanDerWaalsContact C-N 3.26Å; L466-S468 PolarHBondContact O-N 3.11Å; L466-V469 PolarHBondContact N-O 3.24Å; L466-V469 WeakPolarHBondContact O-CB 3.34Å; L466-V469 PolarHBondContact O-N 3.49Å; L466-L471 HydrophobicContact CB-CD1 3.57Å; L466-L471 HydrophobicContact CB-CG 4.04Å; L466-L471 HydrophobicContact CD2-CD1 4.1Å; L466-A488 HydrophobicContact CB-CB 3.94Å; L466-A488 HydrophobicContact CD2-CB 3.9Å; L466-A488 HydrophobicContact CG-CB 3.97Å; L466-F489 HydrophobicContact CD2-CE2 4.47Å; L466-F492 HydrophobicContact CD1-CE2 4.35Å; L466-F492 HydrophobicContact CD1-CZ 4.25Å; L466-F492 HydrophobicContact CD2-CE2 4.32Å; L466-I500 WeakPolarHBondContact CA-O 3.22Å; L466-L501 HydrophobicContact CB-CD1 4.42Å; L466-L501 HydrophobicContact CD1-CB 4.23Å; L466-L501 HydrophobicContact CD1-CD1 4.32Å; L466-V511 HydrophobicContact CD1-CG2 4.36Å
467N89.3Confident82.3Confident1 Ų155.3 Ų55.31%0.00529%0.29CS..THydrogen-bonded Turntrans48.746.4179.9-58.4-27.5000113.3M387 V469 A488 R491 F492 G499 I500M387-N467 HydrophobicContact CG-CB 4.03Å; N467-V469 PolarHBondContact O-N 3.4Å; N467-A488 PolarHBondContact ND2-O 3.31Å; N467-R491 HydrophobicContact CB-CB 3.67Å; N467-R491 WeakPolarHBondContact O-CD 3.3Å; N467-R491 PolarHBondContact O-NH1 3.06Å; N467-F492 WeakPolarHBondContact ND2-CD2 3.39Å; N467-F492 WeakPolarHBondContact ND2-CE2 3.32Å; N467-G499 WeakPolarHBondContact OD1-CA 3.47Å; N467-I500 PolarHBondContact N-O 3.34Å; N467-I500 PolarHBondContact OD1-N 2.96Å
468S86Confident81.3Confident57 Ų5753.8 Ų53.840%0.39928%0.282SS..THydrogen-bonded Turntrans6218.1-177-56.20000115.5S385 L466 R491S385-S468 WeakPolarHBondContact CB-OG 3.45Å; L466-S468 VanDerWaalsContact C-N 3.26Å; L466-S468 PolarHBondContact O-N 3.11Å; S468-R491 PolarHBondContact O-NH1 2.84Å
469V87.2Confident80.4Confident11 Ų1160.7 Ų60.77%0.06731%0.311CS..EExtended strand (participates in β ladder)trans-106.4123.8169.7-174.60000109.2V465 L466 N467 L471 N484 A487 A488 R491V465-V469 VanDerWaalsContact CA-O 3.31Å; V465-V469 WeakPolarHBondContact CA-O 3.36Å; V465-V469 WeakPolarHBondContact CG1-O 3.1Å; L466-V469 PolarHBondContact N-O 3.24Å; L466-V469 WeakPolarHBondContact O-CB 3.34Å; L466-V469 PolarHBondContact O-N 3.49Å; N467-V469 PolarHBondContact O-N 3.4Å; V469-L471 PolarHBondContact O-N 2.78Å; V469-L471 VanDerWaalsContact O-N 3.1Å; V469-N484 HydrophobicContact CG1-CB 3.77Å; V469-N484 VanDerWaalsContact CG1-O 3.27Å; V469-N484 WeakPolarHBondContact CG1-O 3.27Å; V469-A487 HydrophobicContact CG2-CB 4.29Å; V469-A488 HydrophobicContact CB-CB 3.83Å; V469-A488 HydrophobicContact CG1-CB 4.36Å; V469-A488 HydrophobicContact CG2-CB 4.14Å; V469-R491 VanDerWaalsContact CG2-CZ 3.44Å
470N87Confident79.7Confident78 Ų7861.4 Ų61.442%0.41732%0.315SS..EExtended strand (participates in β ladder)trans-70.3105.6174.7-74.3-71.6000109.1V465 K473 N484V465-N470 WeakPolarHBondContact CG2-OD1 3.31Å; N470-K473 HydrophobicContact CB-CG 4.46Å; N470-N484 PolarHBondContact O-ND2 3.43Å
471L84Confident79.5Confident5 Ų561 Ų613%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-77.4-40.2174.3-62.8-174.8000110.6V439 V464 L466 V469 I485 A488V439-L471 HydrophobicContact CB-CD1 4.4Å; V439-L471 HydrophobicContact CG1-CD1 3.66Å; V439-L471 HydrophobicContact CG2-CD1 3.74Å; V464-L471 HydrophobicContact CB-CB 4.46Å; V464-L471 HydrophobicContact CG1-CB 4.41Å; V464-L471 HydrophobicContact CG1-CD1 4.33Å; V464-L471 PolarHBondContact O-N 2.83Å; L466-L471 HydrophobicContact CB-CD1 3.57Å; L466-L471 HydrophobicContact CB-CG 4.04Å; L466-L471 HydrophobicContact CD2-CD1 4.1Å; V469-L471 PolarHBondContact O-N 2.78Å; V469-L471 VanDerWaalsContact O-N 3.1Å; L471-I485 HydrophobicContact CD2-CG1 4.18Å; L471-A488 HydrophobicContact CD2-CB 3.76Å
472L83.3Confident79.1Confident8 Ų860.2 Ų60.24%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-138.5119.4178.3-172.571.9000109.2C459 F460 G463 V464 I480C459-L472 HydrophobicContact CB-CD2 3.67Å; C459-L472 WeakPolarHBondContact O-CD2 3.45Å; F460-L472 HydrophobicContact CD1-CD1 3.95Å; F460-L472 HydrophobicContact CD1-CD2 3.73Å; F460-L472 HydrophobicContact CD1-CG 4.29Å; F460-L472 HydrophobicContact CE1-CD1 3.64Å; F460-L472 HydrophobicContact CE1-CD2 3.81Å; F460-L472 HydrophobicContact CE1-CG 4.33Å; F460-L472 HydrophobicContact CG-CD2 4.35Å; F460-L472 HydrophobicContact CZ-CD2 4.48Å; G463-L472 CarbonylContact C-O 3.48Å; G463-L472 WeakPolarHBondContact CA-O 3.16Å; V464-L472 HydrophobicContact CB-CB 4.17Å; V464-L472 HydrophobicContact CG2-CB 4.34Å; V464-L472 HydrophobicContact CG2-CD2 4.49Å; V464-L472 PolarHBondContact N-O 3.42Å; V464-L472 PolarHBondContact O-N 2.99Å; V464-L472 VanDerWaalsContact O-N 3.15Å; L472-I480 HydrophobicContact CD1-CG1 4.12Å
473K78.5Confident79Confident144 Ų14463.1 Ų63.163%0.62633%0.332SS*.  trans-75.4150.6174.6-66.1179.2-177.9175.20109.5N470 G475 S476N470-K473 HydrophobicContact CB-CG 4.46Å; K473-G475 PolarHBondContact O-N 2.86Å; K473-S476 VanDerWaalsContact C-OG 3.32Å; K473-S476 WeakPolarHBondContact CB-OG 3.49Å; K473-S476 PolarHBondContact N-OG 3.5Å; K473-S476 PolarHBondContact O-N 3.2Å; K473-S476 PolarHBondContact O-OG 3Å
474K78.7Confident79Confident158 Ų15865.6 Ų65.669%0.68734%0.344SS*.THydrogen-bonded Turntrans-62.4127.5175.7175.2172.4179.8-172.90109.8T461 S476T461-K474 VanDerWaalsContact O-CE 3.27Å; T461-K474 WeakPolarHBondContact O-CE 3.47Å; T461-K474 WeakPolarHBondContact O-CG 3.38Å; K474-S476 VanDerWaalsContact C-N 3.27Å; K474-S476 PolarHBondContact O-N 3.4Å
475G73.2Confident78.6Confident68 Ų6865.5 Ų65.570%0.70134%0.343SS*.THydrogen-bonded Turntrans77.6-0.5174.400000115.8F460 K473F460-G475 PolarHBondContact O-N 3.15Å; K473-G475 PolarHBondContact O-N 2.86Å
476S68.3Low78.1Confident39 Ų3970.8 Ų70.827%0.27337%0.367SS..  trans-79.7139.2173.139.50000111.2F460 K473 K474F460-S476 WeakPolarHBondContact CD1-O 3.48Å; K473-S476 VanDerWaalsContact C-OG 3.32Å; K473-S476 WeakPolarHBondContact CB-OG 3.49Å; K473-S476 PolarHBondContact N-OG 3.5Å; K473-S476 PolarHBondContact O-N 3.2Å; K473-S476 PolarHBondContact O-OG 3Å; K474-S476 VanDerWaalsContact C-N 3.27Å; K474-S476 PolarHBondContact O-N 3.4Å
477K63.1Low77.9Confident190 Ų19072.3 Ų72.383%0.82638%0.38SS*.  trans-63.8154.5164.5-66.2-177.7179.1-179.90108.9E479K477-E479 PolarHBondContact O-N 3.06Å
478F62.1Low77.8Confident98 Ų9872.3 Ų72.343%0.4338%0.379SS..SBendtrans-44.351.1-168.7-127.9-63.8000118.3L436 L456 F460 I480L436-F478 HydrophobicContact CD2-CE1 4.35Å; L456-F478 HydrophobicContact CD1-CE2 4.38Å; L456-F478 HydrophobicContact CD1-CZ 4.35Å; L456-F478 HydrophobicContact CD2-CE2 3.96Å; L456-F478 HydrophobicContact CD2-CZ 3.54Å; F460-F478 HydrophobicContact CE1-CB 4.32Å; F460-F478 AromaticContact CE1-CD2 3.81Å; F460-F478 HydrophobicContact CE1-CD2 3.81Å; F460-F478 HydrophobicContact CE1-CE2 4.29Å; F460-F478 AromaticContact CE1-CG 3.96Å; F460-F478 HydrophobicContact CE1-CG 3.96Å; F460-F478 AromaticContact CE2-CD2 3.81Å; F460-F478 HydrophobicContact CE2-CD2 3.81Å; F460-F478 AromaticContact CE2-CE2 3.7Å; F460-F478 HydrophobicContact CE2-CE2 3.7Å; F460-F478 HydrophobicContact CZ-CB 4.4Å; F460-F478 HydrophobicContact CZ-CD1 4.24Å; F460-F478 AromaticContact CZ-CD2 3.07Å; F460-F478 HydrophobicContact CZ-CD2 3.07Å; F460-F478 HydrophobicContact CZ-CE1 4.32Å; F460-F478 AromaticContact CZ-CE2 3.2Å; F460-F478 HydrophobicContact CZ-CE2 3.2Å; F460-F478 AromaticContact CZ-CG 3.64Å; F460-F478 HydrophobicContact CZ-CG 3.64Å; F460-F478 AromaticContact CZ-CZ 3.85Å; F460-F478 HydrophobicContact CZ-CZ 3.85Å; F478-I480 HydrophobicContact CD1-CD1 4.19Å; F478-I480 HydrophobicContact CE1-CD1 4Å
479E63.6Low77.5Confident174 Ų17470.1 Ų70.181%0.81336%0.363SS*.  trans-100.484.8173.8-72.7-178.4-174.400108.9K477K477-E479 PolarHBondContact O-N 3.06Å
480I68.9Low77.3Confident17 Ų1773.4 Ų73.49%0.08739%0.386CS..  trans-92.7114.7169-60.1167.7000106.4Y432 L436 L472 F478 P482 I485Y432-I480 VanDerWaalsContact CE2-O 3.31Å; Y432-I480 WeakPolarHBondContact CE2-O 3.35Å; Y432-I480 PolarHBondContact OH-O 3.35Å; L436-I480 HydrophobicContact CD1-CD1 3.27Å; L472-I480 HydrophobicContact CD1-CG1 4.12Å; F478-I480 HydrophobicContact CD1-CD1 4.19Å; F478-I480 HydrophobicContact CE1-CD1 4Å; I480-P482 WeakPolarHBondContact O-CD 3.18Å; I480-I485 HydrophobicContact CG2-CD1 3.47Å; I480-I485 VanDerWaalsContact CG2-CD1 3.47Å; I480-I485 HydrophobicContact CG2-CG1 3.53Å
481S76.3Confident77.4Confident37 Ų3775.2 Ų75.226%0.25939%0.387SS..  trans-70.9126.7178.51680000110E483 N484 I485S481-E483 PolarHBondContact O-N 3.28Å; S481-E483 WeakPolarHBondContact OG-CB 3.45Å; S481-E483 PolarHBondContact OG-N 2.8Å; S481-N484 WeakPolarHBondContact O-CB 3.46Å; S481-N484 PolarHBondContact O-N 3.49Å; S481-N484 PolarHBondContact OG-N 3.15Å; S481-I485 PolarHBondContact O-N 2.96Å; S481-I485 VanDerWaalsContact O-N 3.07Å
482P75.8Confident77.5Confident69 Ų6975.5 Ų75.545%0.44839%0.388SS..Hα-helixtrans-53.4-36.4171.8-20.527.3000112.4Y432 I480 I485 Q486Y432-P482 HydrophobicContact CD2-CB 3.64Å; Y432-P482 HydrophobicContact CD2-CG 3.45Å; Y432-P482 VanDerWaalsContact CD2-CG 3.45Å; Y432-P482 HydrophobicContact CE2-CB 4.23Å; Y432-P482 HydrophobicContact CE2-CG 3.77Å; Y432-P482 HydrophobicContact CG-CB 4.45Å; Y432-P482 HydrophobicContact CG-CG 4.12Å; I480-P482 WeakPolarHBondContact O-CD 3.18Å; P482-I485 WeakPolarHBondContact O-CB 3.43Å; P482-I485 PolarHBondContact O-N 2.84Å; P482-Q486 PolarHBondContact O-N 3.47Å
483E82.1Confident77.6Confident149 Ų14975.6 Ų75.670%0.69639%0.389SS*.Hα-helixtrans-65.5-41.6177.8-57.5175.4176.500111.3S481 Q486 A487S481-E483 PolarHBondContact O-N 3.28Å; S481-E483 WeakPolarHBondContact OG-CB 3.45Å; S481-E483 PolarHBondContact OG-N 2.8Å; E483-Q486 PolarHBondContact O-N 3.35Å; E483-A487 VanDerWaalsContact O-CB 3.22Å; E483-A487 WeakPolarHBondContact O-CB 3.3Å; E483-A487 PolarHBondContact O-N 2.55Å
484N84.6Confident77.7Confident60 Ų6075.2 Ų75.232%0.32139%0.389SS..Hα-helixtrans-65.1-41.9177.2-76.6-6000111.5V469 N470 S481 A487 A488V469-N484 HydrophobicContact CG1-CB 3.77Å; V469-N484 VanDerWaalsContact CG1-O 3.27Å; V469-N484 WeakPolarHBondContact CG1-O 3.27Å; N470-N484 PolarHBondContact O-ND2 3.43Å; S481-N484 WeakPolarHBondContact O-CB 3.46Å; S481-N484 PolarHBondContact O-N 3.49Å; S481-N484 PolarHBondContact OG-N 3.15Å; N484-A487 PolarHBondContact O-N 3.01Å; N484-A488 WeakPolarHBondContact O-CB 3.49Å; N484-A488 PolarHBondContact O-N 2.96Å
485I79.2Confident77.8Confident0 Ų072.6 Ų72.60%039%0.386CS..Hα-helixtrans-56.4-58.7173.1-72.5-179.2000108.9Y432 L435 L471 I480 S481 P482 A487 A488 F489Y432-I485 HydrophobicContact CD2-CD1 4.05Å; Y432-I485 HydrophobicContact CE2-CD1 3.74Å; L435-I485 HydrophobicContact CB-CD1 4.39Å; L435-I485 HydrophobicContact CB-CG2 3.34Å; L435-I485 HydrophobicContact CD1-CG2 3.68Å; L435-I485 HydrophobicContact CD2-CG2 4.21Å; L435-I485 HydrophobicContact CG-CG2 3.94Å; L471-I485 HydrophobicContact CD2-CG1 4.18Å; I480-I485 HydrophobicContact CG2-CD1 3.47Å; I480-I485 VanDerWaalsContact CG2-CD1 3.47Å; I480-I485 HydrophobicContact CG2-CG1 3.53Å; S481-I485 PolarHBondContact O-N 2.96Å; S481-I485 VanDerWaalsContact O-N 3.07Å; P482-I485 WeakPolarHBondContact O-CB 3.43Å; P482-I485 PolarHBondContact O-N 2.84Å; I485-A487 VanDerWaalsContact C-N 3.27Å; I485-A487 PolarHBondContact O-N 2.64Å; I485-A488 WeakPolarHBondContact O-CB 3.5Å; I485-A488 PolarHBondContact O-N 3.15Å; I485-F489 HydrophobicContact CG2-CD2 3.73Å; I485-F489 HydrophobicContact CG2-CE2 3.68Å; I485-F489 WeakPolarHBondContact O-CD2 3.37Å; I485-F489 PolarHBondContact O-N 3.47Å
486Q79.7Confident78.2Confident123 Ų12369.9 Ų69.958%0.57536%0.357SS*.Hα-helixtrans-57.2-40.8-177.4-169.8175.18.900112.3P482 E483 F489 S490P482-Q486 PolarHBondContact O-N 3.47Å; E483-Q486 PolarHBondContact O-N 3.35Å; Q486-F489 PolarHBondContact O-N 3.34Å; Q486-S490 PolarHBondContact O-N 2.76Å; Q486-S490 PolarHBondContact O-OG 3.48Å
487A86Confident79Confident33 Ų3368.3 Ų68.327%0.27335%0.346SS..Hα-helixtrans-65.1-36.8175.200000113.2V469 E483 N484 I485 S490 R491V469-A487 HydrophobicContact CG2-CB 4.29Å; E483-A487 VanDerWaalsContact O-CB 3.22Å; E483-A487 WeakPolarHBondContact O-CB 3.3Å; E483-A487 PolarHBondContact O-N 2.55Å; N484-A487 PolarHBondContact O-N 3.01Å; I485-A487 VanDerWaalsContact C-N 3.27Å; I485-A487 PolarHBondContact O-N 2.64Å; A487-S490 PolarHBondContact O-OG 3.33Å; A487-S490 VanDerWaalsContact O-OG 3.08Å; A487-R491 WeakPolarHBondContact O-CD 3.26Å; A487-R491 VanDerWaalsContact O-CG 3.26Å; A487-R491 WeakPolarHBondContact O-CG 3.22Å
488A85.4Confident80.3Confident0 Ų059.3 Ų59.30%031%0.307CS..Hα-helixtrans-65.4-42.9176.500000111.1L466 N467 V469 L471 N484 I485 R491L466-A488 HydrophobicContact CB-CB 3.94Å; L466-A488 HydrophobicContact CD2-CB 3.9Å; L466-A488 HydrophobicContact CG-CB 3.97Å; N467-A488 PolarHBondContact ND2-O 3.31Å; V469-A488 HydrophobicContact CB-CB 3.83Å; V469-A488 HydrophobicContact CG1-CB 4.36Å; V469-A488 HydrophobicContact CG2-CB 4.14Å; L471-A488 HydrophobicContact CD2-CB 3.76Å; N484-A488 WeakPolarHBondContact O-CB 3.49Å; N484-A488 PolarHBondContact O-N 2.96Å; I485-A488 WeakPolarHBondContact O-CB 3.5Å; I485-A488 PolarHBondContact O-N 3.15Å; A488-R491 PolarHBondContact O-N 2.89Å
489F81.2Confident81.6Confident12 Ų1254.7 Ų54.75%0.05329%0.287CS..Hα-helixtrans-72.3-34.6-178.9-80.8-80.4000113.4F421 L425 L435 V439 L466 I485 Q486 R491 F492F421-F489 HydrophobicContact CD2-CE1 4.49Å; F421-F489 AromaticContact CE1-CD1 3.9Å; F421-F489 HydrophobicContact CE1-CD1 3.9Å; F421-F489 AromaticContact CE1-CE1 3.61Å; F421-F489 HydrophobicContact CE1-CE1 3.61Å; F421-F489 AromaticContact CE2-CE1 3.54Å; F421-F489 HydrophobicContact CE2-CE1 3.54Å; F421-F489 HydrophobicContact CE2-CZ 4.1Å; F421-F489 AromaticContact CZ-CD1 3.73Å; F421-F489 HydrophobicContact CZ-CD1 3.73Å; F421-F489 AromaticContact CZ-CE1 3.07Å; F421-F489 HydrophobicContact CZ-CE1 3.07Å; F421-F489 AromaticContact CZ-CZ 3.96Å; F421-F489 HydrophobicContact CZ-CZ 3.96Å; L425-F489 HydrophobicContact CD1-CD1 3.82Å; L425-F489 HydrophobicContact CD1-CE1 4.22Å; L425-F489 HydrophobicContact CD2-CB 3.58Å; L425-F489 HydrophobicContact CD2-CD1 3.35Å; L425-F489 HydrophobicContact CD2-CE1 4.03Å; L425-F489 HydrophobicContact CD2-CG 3.65Å; L425-F489 HydrophobicContact CG-CD1 3.88Å; L425-F489 HydrophobicContact CG-CE1 4.2Å; L435-F489 HydrophobicContact CD2-CD2 4.18Å; L435-F489 HydrophobicContact CD2-CE2 4.1Å; L435-F489 HydrophobicContact CD2-CZ 4.46Å; V439-F489 HydrophobicContact CG2-CE2 3.91Å; V439-F489 HydrophobicContact CG2-CZ 4.15Å; L466-F489 HydrophobicContact CD2-CE2 4.47Å; I485-F489 HydrophobicContact CG2-CD2 3.73Å; I485-F489 HydrophobicContact CG2-CE2 3.68Å; I485-F489 WeakPolarHBondContact O-CD2 3.37Å; I485-F489 PolarHBondContact O-N 3.47Å; Q486-F489 PolarHBondContact O-N 3.34Å; F489-R491 PolarHBondContact O-N 2.92Å; F489-F492 HydrophobicContact CD1-CE2 4.12Å; F489-F492 WeakPolarHBondContact O-CD2 3.46Å; F489-F492 PolarHBondContact O-N 3.24Å
490S83.5Confident83Confident80 Ų8046.8 Ų46.856%0.55925%0.25SC*.Hα-helixtrans-67.7-21176.466.60000113.4Q486 A487Q486-S490 PolarHBondContact O-N 2.76Å; Q486-S490 PolarHBondContact O-OG 3.48Å; A487-S490 PolarHBondContact O-OG 3.33Å; A487-S490 VanDerWaalsContact O-OG 3.08Å
491R87.5Confident84.1Confident115 Ų11546 Ų4643%0.43425%0.246SC..THydrogen-bonded Turntrans-83.91.1-179.1-72.3175.7-176.2-168.30.9115.4M387 N467 S468 V469 A487 A488 F489M387-R491 WeakPolarHBondContact CE-O 3.49Å; N467-R491 HydrophobicContact CB-CB 3.67Å; N467-R491 WeakPolarHBondContact O-CD 3.3Å; N467-R491 PolarHBondContact O-NH1 3.06Å; S468-R491 PolarHBondContact O-NH1 2.84Å; V469-R491 VanDerWaalsContact CG2-CZ 3.44Å; A487-R491 WeakPolarHBondContact O-CD 3.26Å; A487-R491 VanDerWaalsContact O-CG 3.26Å; A487-R491 WeakPolarHBondContact O-CG 3.22Å; A488-R491 PolarHBondContact O-N 2.89Å; F489-R491 PolarHBondContact O-N 2.92Å
492F86.6Confident84.8Confident12 Ų1248.6 Ų48.65%0.05325%0.25CS..SBendtrans-57.6146171.1-87.5-100.2000110.8F421 L466 N467 F489 Q494 L498 G499 V511 T513F421-F492 HydrophobicContact CE1-CE1 4.16Å; F421-F492 AromaticContact CE1-CE2 3.93Å; F421-F492 HydrophobicContact CE1-CE2 3.93Å; F421-F492 AromaticContact CE1-CZ 3.61Å; F421-F492 HydrophobicContact CE1-CZ 3.61Å; F421-F492 HydrophobicContact CZ-CE2 4.11Å; F421-F492 AromaticContact CZ-CZ 3.79Å; F421-F492 HydrophobicContact CZ-CZ 3.79Å; L466-F492 HydrophobicContact CD1-CE2 4.35Å; L466-F492 HydrophobicContact CD1-CZ 4.25Å; L466-F492 HydrophobicContact CD2-CE2 4.32Å; N467-F492 WeakPolarHBondContact ND2-CD2 3.39Å; N467-F492 WeakPolarHBondContact ND2-CE2 3.32Å; F489-F492 HydrophobicContact CD1-CE2 4.12Å; F489-F492 WeakPolarHBondContact O-CD2 3.46Å; F489-F492 PolarHBondContact O-N 3.24Å; F492-Q494 PolarHBondContact O-N 3.06Å; F492-Q494 VanDerWaalsContact O-N 3.09Å; F492-Q494 PolarHBondContact O-NE2 3.48Å; F492-L498 VanDerWaalsContact CD1-C 3.45Å; F492-L498 WeakPolarHBondContact CD1-O 3.35Å; F492-G499 VanDerWaalsContact CE1-CA 3.49Å; F492-V511 HydrophobicContact CE1-CB 3.83Å; F492-V511 HydrophobicContact CE1-CG1 3.81Å; F492-V511 HydrophobicContact CZ-CB 4.01Å; F492-V511 HydrophobicContact CZ-CG1 3.83Å; F492-T513 HydrophobicContact CD1-CG2 3.82Å; F492-T513 HydrophobicContact CE1-CG2 3.37Å; F492-T513 HydrophobicContact CZ-CG2 4.05Å
493D86.1Confident85.3Confident9 Ų945.4 Ų45.45%0.04823%0.23CC..  trans-63.3114.8175.5-175.981.1000109.8M387 I390 Q391 T495 T496 G497 L498M387-D493 HydrophobicContact CE-CB 3.95Å; I390-D493 HydrophobicContact CG2-CB 4.44Å; Q391-D493 WeakPolarHBondContact CG-OD1 3.26Å; D493-T495 PolarHBondContact O-N 3.18Å; D493-T495 WeakPolarHBondContact OD2-CA 3.15Å; D493-T495 VanDerWaalsContact OD2-CB 3.3Å; D493-T495 WeakPolarHBondContact OD2-CB 3.31Å; D493-T495 PolarHBondContact OD2-N 3.38Å; D493-T496 PolarHBondContact OD2-N 3.04Å; D493-T496 PolarHBondContact OD2-OG1 3.44Å; D493-T496 VanDerWaalsContact OD2-OG1 3.05Å; D493-G497 VanDerWaalsContact O-CA 3.22Å; D493-G497 WeakPolarHBondContact O-CA 3.43Å; D493-G497 PolarHBondContact O-N 2.9Å; D493-L498 HydrophobicContact CB-CB 4.48Å; D493-L498 PolarHBondContact N-O 3.4Å
494Q80.6Confident85.4Confident136 Ų13638.9 Ų38.964%0.63620%0.202SC*.THydrogen-bonded Turntrans-68.7-18.6-174.7-63.3-60.6-31.100112.5F492 R514F492-Q494 PolarHBondContact O-N 3.06Å; F492-Q494 VanDerWaalsContact O-N 3.09Å; F492-Q494 PolarHBondContact O-NE2 3.48Å; Q494-R514 PolarHBondContact O-NH2 3.35Å
495T79.4Confident85.2Confident103 Ų10344 Ų4463%0.63222%0.222SC*.THydrogen-bonded Turntrans-86.8-41.4-178.3-55.10000111.7D493 R514D493-T495 PolarHBondContact O-N 3.18Å; D493-T495 WeakPolarHBondContact OD2-CA 3.15Å; D493-T495 VanDerWaalsContact OD2-CB 3.3Å; D493-T495 WeakPolarHBondContact OD2-CB 3.31Å; D493-T495 PolarHBondContact OD2-N 3.38Å; T495-R514 PolarHBondContact O-NH1 2.96Å
496T81.9Confident85.2Confident12 Ų1248.6 Ų48.67%0.07425%0.246CC..THydrogen-bonded Turntrans-108.4-18.1-173.5680000113.4R399 L403 D493 L498 R514 F517R399-T496 HydrophobicContact CG-CG2 4.48Å; L403-T496 HydrophobicContact CD1-CG2 4.02Å; L403-T496 HydrophobicContact CD2-CG2 3.88Å; L403-T496 HydrophobicContact CG-CG2 4.48Å; D493-T496 PolarHBondContact OD2-N 3.04Å; D493-T496 PolarHBondContact OD2-OG1 3.44Å; D493-T496 VanDerWaalsContact OD2-OG1 3.05Å; T496-L498 VanDerWaalsContact C-N 3.27Å; T496-L498 WeakPolarHBondContact OG1-CB 3.27Å; T496-L498 WeakPolarHBondContact OG1-CG 3.35Å; T496-L498 PolarHBondContact OG1-N 3.39Å; T496-R514 WeakPolarHBondContact O-CD 3.44Å; T496-F517 WeakPolarHBondContact O-CE2 3.02Å
497G85.2Confident85.4Confident5 Ų545.8 Ų45.85%0.05223%0.233CC..  trans7121.7-17100000113.6D493 T513D493-G497 VanDerWaalsContact O-CA 3.22Å; D493-G497 WeakPolarHBondContact O-CA 3.43Å; D493-G497 PolarHBondContact O-N 2.9Å; G497-T513 WeakPolarHBondContact CA-OG1 3.5Å; G497-T513 PolarHBondContact O-N 2.77Å; G497-T513 PolarHBondContact O-OG1 2.97Å
498L89.9Confident85.7Confident2 Ų244.6 Ų44.61%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-86.5141.3178.1-69.4177.6000111.8L402 L403 L406 F492 D493 T496 V511 A512 F517L402-L498 HydrophobicContact CD2-CD1 4.26Å; L403-L498 HydrophobicContact CD2-CD1 3.7Å; L403-L498 HydrophobicContact CD2-CG 4.27Å; L406-L498 HydrophobicContact CD1-CD1 3.77Å; L406-L498 HydrophobicContact CD1-CD2 3.57Å; L406-L498 HydrophobicContact CD1-CG 4.34Å; F492-L498 VanDerWaalsContact CD1-C 3.45Å; F492-L498 WeakPolarHBondContact CD1-O 3.35Å; D493-L498 HydrophobicContact CB-CB 4.48Å; D493-L498 PolarHBondContact N-O 3.4Å; T496-L498 VanDerWaalsContact C-N 3.27Å; T496-L498 WeakPolarHBondContact OG1-CB 3.27Å; T496-L498 WeakPolarHBondContact OG1-CG 3.35Å; T496-L498 PolarHBondContact OG1-N 3.39Å; L498-V511 CarbonylContact C-O 3.54Å; L498-V511 WeakPolarHBondContact CA-O 3.42Å; L498-A512 HydrophobicContact CD2-CB 4.1Å; L498-F517 HydrophobicContact CD2-CE2 4.15Å; L498-F517 HydrophobicContact CD2-CZ 3.81Å; L498-F517 HydrophobicContact CG-CZ 4.29Å
499G90.7Very high86.1Confident0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-134.9176.7166.400000111.2N467 F492 F510 V511N467-G499 WeakPolarHBondContact OD1-CA 3.47Å; F492-G499 VanDerWaalsContact CE1-CA 3.49Å; G499-F510 CarbonylContact O-C 3.56Å; G499-F510 WeakPolarHBondContact O-CA 3.41Å; G499-V511 PolarHBondContact N-O 3.23Å; G499-V511 PolarHBondContact O-N 2.88Å
500I92.4Very high86.7Confident8 Ų845.1 Ų45.14%0.04122%0.223CC..EExtended strand (participates in β ladder)trans-129.2116.7-178.6-56-66.2000108.9I366 F367 M387 I390 L466 N467 F510I366-I500 HydrophobicContact CG2-CD1 4.08Å; F367-I500 HydrophobicContact CD1-CD1 4.04Å; F367-I500 HydrophobicContact CD1-CG2 3.85Å; F367-I500 HydrophobicContact CE1-CD1 3.57Å; F367-I500 HydrophobicContact CE1-CG2 3.92Å; M387-I500 HydrophobicContact SD-CG1 3.97Å; I390-I500 HydrophobicContact CD1-CD1 3.85Å; I390-I500 HydrophobicContact CD1-CG1 3.98Å; L466-I500 WeakPolarHBondContact CA-O 3.22Å; N467-I500 PolarHBondContact N-O 3.34Å; N467-I500 PolarHBondContact OD1-N 2.96Å; I500-F510 HydrophobicContact CD1-CD1 3.4Å; I500-F510 HydrophobicContact CD1-CE1 3.5Å; I500-F510 VanDerWaalsContact CD1-CE1 3.5Å; I500-F510 HydrophobicContact CD1-CG 4.24Å; I500-F510 HydrophobicContact CD1-CZ 4.4Å
501L91.6Very high87Confident2 Ų241.3 Ų41.31%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-100.8133.4171.6178.665000109I416 L442 T446 V464 L466 H508 W509 V511I416-L501 HydrophobicContact CD1-CD2 3.85Å; L442-L501 HydrophobicContact CB-CD2 4.1Å; T446-L501 HydrophobicContact CG2-CD2 3.4Å; T446-L501 VanDerWaalsContact CG2-CD2 3.4Å; T446-L501 HydrophobicContact CG2-CG 4.47Å; V464-L501 HydrophobicContact CG1-CD1 3.84Å; L466-L501 HydrophobicContact CB-CD1 4.42Å; L466-L501 HydrophobicContact CD1-CB 4.23Å; L466-L501 HydrophobicContact CD1-CD1 4.32Å; L501-H508 CarbonylContact O-C 3.51Å; L501-H508 VanDerWaalsContact O-CA 3.29Å; L501-H508 WeakPolarHBondContact O-CA 3.46Å; L501-W509 PolarHBondContact N-O 3.02Å; L501-W509 PolarHBondContact O-N 2.97Å; L501-V511 HydrophobicContact CB-CG2 3.72Å
502R90.9Very high87.1Confident90 Ų9035.9 Ų35.934%0.3418%0.176SC..EExtended strand (participates in β ladder)trans-126.9129.2175.7-178.3-179.677.5174.9-0.7110.6V465 G504 E507 H508V465-R502 HydrophobicContact CB-CB 4.27Å; V465-R502 PolarHBondContact N-O 3.46Å; V465-R502 PolarHBondContact O-N 2.87Å; R502-G504 WeakPolarHBondContact CD-O 2.96Å; R502-G504 WeakPolarHBondContact CG-O 3.32Å; R502-G504 PolarHBondContact NE-O 2.8Å; R502-E507 CarbonylContact C-O 3.59Å; R502-E507 VanDerWaalsContact CA-O 3.29Å; R502-E507 WeakPolarHBondContact CA-O 3.47Å; R502-E507 WeakPolarHBondContact CG-O 3.24Å; R502-H508 WeakPolarHBondContact CD-NE2 3.4Å; R502-H508 WeakPolarHBondContact CG-NE2 3.29Å
503L87.8Confident86.8Confident3 Ų336.3 Ų36.32%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-111111173.3-176.566.5000109.7F449 T458 C459 R462 V464 E507 W509F449-L503 HydrophobicContact CZ-CD2 3.92Å; T458-L503 HydrophobicContact CG2-CD2 4.04Å; C459-L503 HydrophobicContact CB-CD1 4.49Å; R462-L503 PolarHBondContact NH2-O 3.35Å; V464-L503 HydrophobicContact CG2-CD1 3.83Å; L503-E507 PolarHBondContact N-O 3.14Å; L503-W509 HydrophobicContact CB-CH2 4.09Å; L503-W509 HydrophobicContact CB-CZ3 3.66Å; L503-W509 HydrophobicContact CD2-CH2 4.4Å
504G84.1Confident86.1Confident12 Ų1240.9 Ų40.912%0.12420%0.197CC..THydrogen-bonded Turntrans69.8-141.3-172.600000113.6R462 G463 R502R462-G504 VanDerWaalsContact O-CA 3.32Å; R462-G504 WeakPolarHBondContact O-CA 3.41Å; G463-G504 PolarHBondContact O-N 3.32Å; R502-G504 WeakPolarHBondContact CD-O 2.96Å; R502-G504 WeakPolarHBondContact CG-O 3.32Å; R502-G504 PolarHBondContact NE-O 2.8Å
505K79.2Confident85Confident168 Ų16838 Ų3873%0.7319%0.192SC*.THydrogen-bonded Turntrans-90.6-39.5-174.4-67.1-172176.4-174.20113.8H508K505-H508 PolarHBondContact O-CE1 3.19Å
506N78.9Confident84Confident95 Ų9539 Ų3951%0.50819%0.194SC..THydrogen-bonded Turntrans-117.7-17.5-162.7-62.3-12000114.2H508N506-H508 PolarHBondContact O-ND1 3.45Å
507E85.7Confident83Confident65 Ų6539 Ų3930%0.30419%0.193SC..EExtended strand (participates in β ladder)trans-94.2124-177.5-62.5-172.1113.600111.4R462 R502 L503 W509R462-E507 IonicContact CZ-OE2 3.44Å; R462-E507 IonicContact NH1-OE2 3.95Å; R462-E507 PolarHBondContact NH1-OE2 3.02Å; R462-E507 IonicContact NH2-OE2 3.7Å; R462-E507 PolarHBondContact NH2-OE2 3.35Å; R502-E507 CarbonylContact C-O 3.59Å; R502-E507 VanDerWaalsContact CA-O 3.29Å; R502-E507 WeakPolarHBondContact CA-O 3.47Å; R502-E507 WeakPolarHBondContact CG-O 3.24Å; L503-E507 PolarHBondContact N-O 3.14Å; E507-W509 HydrophobicContact CB-CH2 3.38Å; E507-W509 HydrophobicContact CB-CZ2 4.21Å; E507-W509 HydrophobicContact CB-CZ3 3.6Å; E507-W509 HydrophobicContact CG-CH2 4.24Å
508H91.7Very high81.3Confident8 Ų842.6 Ų42.64%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-135.8144.9-174.8-59.279.3000110.3F367 F368 P414 L501 R502 K505 N506F367-H508 HydrophobicContact CB-CB 4.08Å; F367-H508 HydrophobicContact CD1-CB 3.48Å; F367-H508 VanDerWaalsContact CD1-CB 3.48Å; F367-H508 AromaticContact CD1-CG 3.97Å; F367-H508 HydrophobicContact CD2-CB 3.8Å; F367-H508 HydrophobicContact CE1-CB 3.64Å; F367-H508 HydrophobicContact CE2-CB 3.93Å; F367-H508 HydrophobicContact CG-CB 3.53Å; F367-H508 AromaticContact CG-CG 3.85Å; F367-H508 HydrophobicContact CZ-CB 3.84Å; F368-H508 AromaticContact CE1-CE1 3.46Å; F368-H508 VanDerWaalsContact CE1-CE1 3.46Å; F368-H508 WeakPolarHBondContact CE1-CE1 3.27Å; F368-H508 AromaticContact CZ-CE1 3.39Å; F368-H508 WeakPolarHBondContact CZ-CE1 3.38Å; F368-H508 AromaticContact CZ-ND1 3.64Å; P414-H508 WeakPolarHBondContact CB-O 3.47Å; P414-H508 VanDerWaalsContact CG-O 3.25Å; P414-H508 WeakPolarHBondContact CG-O 3.32Å; L501-H508 CarbonylContact O-C 3.51Å; L501-H508 VanDerWaalsContact O-CA 3.29Å; L501-H508 WeakPolarHBondContact O-CA 3.46Å; R502-H508 WeakPolarHBondContact CD-NE2 3.4Å; R502-H508 WeakPolarHBondContact CG-NE2 3.29Å; K505-H508 PolarHBondContact O-CE1 3.19Å; N506-H508 PolarHBondContact O-ND1 3.45Å
509W93.2Very high78.8Confident22 Ų2253.5 Ų53.58%0.08326%0.264CS..EExtended strand (participates in β ladder)trans-135.3140.5174-62-105.2000109.8P414 T446 L501 L503 E507P414-W509 HydrophobicContact CB-CG 4.2Å; P414-W509 WeakPolarHBondContact O-CA 3.43Å; T446-W509 VanDerWaalsContact CB-CE2 3.47Å; T446-W509 HydrophobicContact CG2-CD2 3.61Å; T446-W509 HydrophobicContact CG2-CE3 3.72Å; T446-W509 HydrophobicContact CG2-CG 4.02Å; T446-W509 HydrophobicContact CG2-CH2 4.3Å; T446-W509 HydrophobicContact CG2-CZ2 4.25Å; T446-W509 HydrophobicContact CG2-CZ3 4.06Å; T446-W509 PolarHBondContact O-NE1 2.78Å; T446-W509 VanDerWaalsContact O-NE1 3.15Å; L501-W509 PolarHBondContact N-O 3.02Å; L501-W509 PolarHBondContact O-N 2.97Å; L503-W509 HydrophobicContact CB-CH2 4.09Å; L503-W509 HydrophobicContact CB-CZ3 3.66Å; L503-W509 HydrophobicContact CD2-CH2 4.4Å; E507-W509 HydrophobicContact CB-CH2 3.38Å; E507-W509 HydrophobicContact CB-CZ2 4.21Å; E507-W509 HydrophobicContact CB-CZ3 3.6Å; E507-W509 HydrophobicContact CG-CH2 4.24Å
510F93.5Very high78.2Confident0 Ų056.2 Ų56.20%028%0.278CS..EExtended strand (participates in β ladder)trans-71.7136.7161.4-68.5-82.3000109.1A363 I366 F367 I390 L402 L406 L413 P414 V415 I416 G499 I500A363-F510 HydrophobicContact CB-CE2 3.9Å; A363-F510 HydrophobicContact CB-CZ 4.19Å; I366-F510 HydrophobicContact CB-CZ 4.48Å; I366-F510 HydrophobicContact CD1-CE1 4.2Å; I366-F510 HydrophobicContact CD1-CZ 4.01Å; I366-F510 HydrophobicContact CG2-CE1 4.07Å; I366-F510 HydrophobicContact CG2-CZ 4.25Å; F367-F510 HydrophobicContact CE1-CD1 4.37Å; F367-F510 HydrophobicContact CE1-CD2 4.04Å; F367-F510 HydrophobicContact CE1-CE1 4.19Å; F367-F510 AromaticContact CE1-CE2 3.84Å; F367-F510 HydrophobicContact CE1-CE2 3.84Å; F367-F510 HydrophobicContact CE1-CG 4.3Å; F367-F510 AromaticContact CE1-CZ 3.9Å; F367-F510 HydrophobicContact CE1-CZ 3.9Å; F367-F510 HydrophobicContact CE2-CD2 4.13Å; F367-F510 AromaticContact CE2-CE2 3.62Å; F367-F510 HydrophobicContact CE2-CE2 3.62Å; F367-F510 HydrophobicContact CE2-CZ 4.21Å; F367-F510 HydrophobicContact CZ-CD1 4.47Å; F367-F510 AromaticContact CZ-CD2 3.35Å; F367-F510 HydrophobicContact CZ-CD2 3.35Å; F367-F510 HydrophobicContact CZ-CE1 4.34Å; F367-F510 AromaticContact CZ-CE2 3.18Å; F367-F510 HydrophobicContact CZ-CE2 3.18Å; F367-F510 HydrophobicContact CZ-CG 4.02Å; F367-F510 AromaticContact CZ-CZ 3.71Å; F367-F510 HydrophobicContact CZ-CZ 3.71Å; I390-F510 HydrophobicContact CD1-CE1 4.36Å; L402-F510 HydrophobicContact CD1-CE1 4.05Å; L402-F510 HydrophobicContact CD1-CE2 4.29Å; L402-F510 HydrophobicContact CD1-CZ 3.78Å; L402-F510 HydrophobicContact CD2-CE1 4.22Å; L406-F510 HydrophobicContact CD1-CB 4.21Å; L406-F510 HydrophobicContact CD1-CD1 4.07Å; L406-F510 HydrophobicContact CD1-CG 4.04Å; L406-F510 HydrophobicContact CD2-CB 3.69Å; L406-F510 HydrophobicContact CD2-CD1 4.39Å; L406-F510 HydrophobicContact CD2-CD2 3.49Å; L406-F510 VanDerWaalsContact CD2-CD2 3.49Å; L406-F510 HydrophobicContact CD2-CE2 4.22Å; L406-F510 HydrophobicContact CD2-CG 3.6Å; L406-F510 HydrophobicContact CG-CG 4.49Å; L413-F510 HydrophobicContact CB-CD2 4.42Å; L413-F510 HydrophobicContact CD1-CD2 4.45Å; L413-F510 HydrophobicContact CD1-CE2 3.99Å; P414-F510 PolarHBondContact O-N 3.24Å; V415-F510 CarbonylContact C-O 3.52Å; V415-F510 VanDerWaalsContact CA-O 3.27Å; V415-F510 WeakPolarHBondContact CA-O 3.28Å; V415-F510 HydrophobicContact CB-CB 4.25Å; V415-F510 HydrophobicContact CG2-CB 4.14Å; I416-F510 PolarHBondContact N-O 3.07Å; G499-F510 CarbonylContact O-C 3.56Å; G499-F510 WeakPolarHBondContact O-CA 3.41Å; I500-F510 HydrophobicContact CD1-CD1 3.4Å; I500-F510 HydrophobicContact CD1-CE1 3.5Å; I500-F510 VanDerWaalsContact CD1-CE1 3.5Å; I500-F510 HydrophobicContact CD1-CG 4.24Å; I500-F510 HydrophobicContact CD1-CZ 4.4Å
511V91.3Very high77.5Confident0 Ų058.7 Ų58.70%029%0.29CS..EExtended strand (participates in β ladder)trans-107.9111.1173.8-171.90000107.8I416 P418 F421 L442 L466 F492 L498 G499 L501 T513I416-V511 HydrophobicContact CD1-CG1 4.4Å; I416-V511 HydrophobicContact CD1-CG2 3.83Å; I416-V511 HydrophobicContact CG1-CB 4.22Å; I416-V511 HydrophobicContact CG1-CG1 4.16Å; I416-V511 HydrophobicContact CG1-CG2 3.9Å; P418-V511 HydrophobicContact CG-CG1 4.12Å; F421-V511 HydrophobicContact CZ-CG1 4.44Å; L442-V511 HydrophobicContact CD1-CG1 4.48Å; L442-V511 HydrophobicContact CD2-CG1 3.75Å; L466-V511 HydrophobicContact CD1-CG2 4.36Å; F492-V511 HydrophobicContact CE1-CB 3.83Å; F492-V511 HydrophobicContact CE1-CG1 3.81Å; F492-V511 HydrophobicContact CZ-CB 4.01Å; F492-V511 HydrophobicContact CZ-CG1 3.83Å; L498-V511 CarbonylContact C-O 3.54Å; L498-V511 WeakPolarHBondContact CA-O 3.42Å; G499-V511 PolarHBondContact N-O 3.23Å; G499-V511 PolarHBondContact O-N 2.88Å; L501-V511 HydrophobicContact CB-CG2 3.72Å; V511-T513 HydrophobicContact CG1-CG2 4.03Å
512A89.3Confident76.7Confident1 Ų161.9 Ų61.91%0.00831%0.306CS..EExtended strand (participates in β ladder)trans-104.5104.5-176.100000110.2V415 I416 Y417 L498 F517V415-A512 HydrophobicContact CG2-CB 3.87Å; I416-A512 PolarHBondContact O-N 2.64Å; Y417-A512 HydrophobicContact CD1-CB 3.69Å; Y417-A512 HydrophobicContact CE1-CB 3.8Å; L498-A512 HydrophobicContact CD2-CB 4.1Å; A512-F517 HydrophobicContact CB-CB 4.2Å; A512-F517 HydrophobicContact CB-CD1 4.39Å; A512-F517 HydrophobicContact CB-CD2 3.7Å; A512-F517 HydrophobicContact CB-CE2 4.02Å; A512-F517 HydrophobicContact CB-CG 3.87Å; A512-F517 HydrophobicContact CB-CZ 4.47Å
513T79Confident75.8Confident22 Ų2260.2 Ų60.214%0.13530%0.304CS..  trans-99.9-14.6-168.763.60000114.6P418 F421 T422 F492 G497 V511P418-T513 HydrophobicContact CG-CG2 4.46Å; F421-T513 HydrophobicContact CD1-CG2 3.24Å; F421-T513 HydrophobicContact CE1-CG2 3.4Å; F421-T513 VanDerWaalsContact CE1-CG2 3.4Å; F421-T513 HydrophobicContact CG-CG2 4.17Å; F421-T513 HydrophobicContact CZ-CG2 4.44Å; T422-T513 WeakPolarHBondContact CG2-O 3.46Å; F492-T513 HydrophobicContact CD1-CG2 3.82Å; F492-T513 HydrophobicContact CE1-CG2 3.37Å; F492-T513 HydrophobicContact CZ-CG2 4.05Å; G497-T513 WeakPolarHBondContact CA-OG1 3.5Å; G497-T513 PolarHBondContact O-N 2.77Å; G497-T513 PolarHBondContact O-OG1 2.97Å; V511-T513 HydrophobicContact CG1-CG2 4.03Å
514R71.7Confident75.1Confident104 Ų10463.8 Ų63.839%0.39232%0.322SS..SBendtrans-86.1148.2179.8-80.9-175.5-178.9-152.7-5.5111.9Q494 T495 T496 N516 F517Q494-R514 PolarHBondContact O-NH2 3.35Å; T495-R514 PolarHBondContact O-NH1 2.96Å; T496-R514 WeakPolarHBondContact O-CD 3.44Å; R514-N516 PolarHBondContact O-N 3.09Å; R514-F517 HydrophobicContact CB-CD2 4.45Å; R514-F517 WeakPolarHBondContact O-CD2 3.31Å; R514-F517 PolarHBondContact O-N 3.31Å
515S58.8Low74.5Confident77 Ų7767.3 Ų67.354%0.53834%0.335SS..G310 helixtrans-56-23.6176.953.80000114F517 T518S515-F517 PolarHBondContact O-N 3.4Å; S515-T518 WeakPolarHBondContact CA-OG1 3.47Å; S515-T518 PolarHBondContact O-N 2.64Å; S515-T518 PolarHBondContact O-OG1 3.45Å; S515-T518 VanDerWaalsContact O-OG1 3.07Å
516N57.1Low74.1Confident124 Ų12460.1 Ų60.166%0.66331%0.307SS*.G310 helixtrans-62.1-13.7-180-63.76000113.6R514R514-N516 PolarHBondContact O-N 3.09Å
517F60.8Low73.8Confident12 Ų1257.4 Ų57.45%0.05329%0.291CS..G310 helixtrans-104.5-6.9175.3-57.8-81.6000113.9L403 L406 P408 Y417 T496 L498 A512 R514 S515L403-F517 HydrophobicContact CB-CE1 4.47Å; L403-F517 HydrophobicContact CD2-CE1 3.92Å; L403-F517 HydrophobicContact CD2-CZ 3.43Å; L403-F517 VanDerWaalsContact CD2-CZ 3.43Å; L406-F517 HydrophobicContact CB-CD1 4.35Å; L406-F517 HydrophobicContact CB-CE1 3.96Å; L406-F517 WeakPolarHBondContact O-CD1 3.46Å; P408-F517 VanDerWaalsContact CD-O 3.3Å; P408-F517 WeakPolarHBondContact CD-O 3.49Å; P408-F517 WeakPolarHBondContact CG-O 3.44Å; Y417-F517 HydrophobicContact CD1-CB 3.79Å; Y417-F517 HydrophobicContact CE1-CB 3.62Å; Y417-F517 HydrophobicContact CE1-CG 4.34Å; T496-F517 WeakPolarHBondContact O-CE2 3.02Å; L498-F517 HydrophobicContact CD2-CE2 4.15Å; L498-F517 HydrophobicContact CD2-CZ 3.81Å; L498-F517 HydrophobicContact CG-CZ 4.29Å; A512-F517 HydrophobicContact CB-CB 4.2Å; A512-F517 HydrophobicContact CB-CD1 4.39Å; A512-F517 HydrophobicContact CB-CD2 3.7Å; A512-F517 HydrophobicContact CB-CE2 4.02Å; A512-F517 HydrophobicContact CB-CG 3.87Å; A512-F517 HydrophobicContact CB-CZ 4.47Å; R514-F517 HydrophobicContact CB-CD2 4.45Å; R514-F517 WeakPolarHBondContact O-CD2 3.31Å; R514-F517 PolarHBondContact O-N 3.31Å; S515-F517 PolarHBondContact O-N 3.4Å
518T50.1Low72.8Confident80 Ų8056.8 Ų56.849%0.49129%0.29SS..  trans-111.812.6-17157.90000113.6S515S515-T518 WeakPolarHBondContact CA-OG1 3.47Å; S515-T518 PolarHBondContact O-N 2.64Å; S515-T518 PolarHBondContact O-OG1 3.45Å; S515-T518 VanDerWaalsContact O-OG1 3.07Å
519Q37.1Very low71.1Confident231 Ų23161.2 Ų61.2100%1.07931%0.313SS*.  trans-98.50164.4-71.5-175.1-8.900109

Retrieved 519 of 519 residues in 1208.5 ms (Link to these results)

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