A0A087YNU2_POEFO Loading...

Aldehyde dehydrogenase

AlphaFold DB , UniProt , Accession A0A087YNU2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 469 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
1M62.9Low90.8Very high245 Ų24572.3 Ų72.3100%1.20737%0.373SS*.  0140.60-71.3178.8-154.900107.4
2D77Confident91.4Very high88 Ų8870.8 Ų70.847%0.47136%0.359SS..  trans-62.3140.2173.1-66-19.5000109.7Q6 V7 R10D2-Q6 HydrophobicContact CB-CB 4.03Å; D2-V7 HydrophobicContact CB-CG2 3.7Å; D2-R10 IonicContact OD2-NH1 2.63Å; D2-R10 PolarHBondContact OD2-NH1 2.85Å
3S90.1Very high92Very high56 Ų5671.4 Ų71.439%0.39237%0.368SS..  trans-64.1157.3167.4620000110.9S5 Q6 V7S3-S5 PolarHBondContact O-N 3.1Å; S3-S5 VanDerWaalsContact O-N 3.16Å; S3-Q6 PolarHBondContact O-N 2.78Å; S3-Q6 WeakPolarHBondContact OG-CG 3.46Å; S3-Q6 PolarHBondContact OG-N 2.64Å; S3-Q6 PolarHBondContact OG-OE1 3.41Å; S3-V7 PolarHBondContact O-N 3.12Å
4H92.4Very high92.4Very high45 Ų4566.8 Ų66.821%0.20835%0.347CS..Hα-helixtrans-52.1-39.7175.5-65.5165.6000112.3V7 L8 V166 E172 L176H4-V7 PolarHBondContact O-N 3.3Å; H4-L8 WeakPolarHBondContact O-CB 3.48Å; H4-L8 VanDerWaalsContact O-CG 3.26Å; H4-L8 WeakPolarHBondContact O-CG 3.38Å; H4-L8 PolarHBondContact O-N 2.99Å; H4-V166 WeakPolarHBondContact NE2-CG1 3.42Å; H4-E172 PolarHBondContact CE1-O 3.25Å; H4-L176 HydrophobicContact CB-CD1 4.41Å
5S90.9Very high92.8Very high78 Ų7865.5 Ų65.555%0.54534%0.338SS..Hα-helixtrans-64.9-40178.3-52.90000112.8S3 L8 E9S3-S5 PolarHBondContact O-N 3.1Å; S3-S5 VanDerWaalsContact O-N 3.16Å; S5-L8 PolarHBondContact O-N 3.06Å; S5-E9 WeakPolarHBondContact O-CB 3.1Å; S5-E9 PolarHBondContact O-N 3.25Å
6Q95Very high93.2Very high110 Ų11072.3 Ų72.351%0.51436%0.358SS..Hα-helixtrans-66.4-43.4176.1-75.4166-4900111.6D2 S3 E9 R10D2-Q6 HydrophobicContact CB-CB 4.03Å; S3-Q6 PolarHBondContact O-N 2.78Å; S3-Q6 WeakPolarHBondContact OG-CG 3.46Å; S3-Q6 PolarHBondContact OG-N 2.64Å; S3-Q6 PolarHBondContact OG-OE1 3.41Å; Q6-E9 PolarHBondContact O-N 2.99Å; Q6-R10 PolarHBondContact O-N 3.34Å; Q6-R10 VanDerWaalsContact O-N 3.08Å
7V97.3Very high93.5Very high13 Ų1372.9 Ų72.98%0.07937%0.371CS..Hα-helixtrans-58.3-50.6175.11740000110.2D2 S3 H4 E9 R10 L11 A164 V166D2-V7 HydrophobicContact CB-CG2 3.7Å; S3-V7 PolarHBondContact O-N 3.12Å; H4-V7 PolarHBondContact O-N 3.3Å; V7-E9 PolarHBondContact O-N 3.18Å; V7-R10 WeakPolarHBondContact O-CB 3.3Å; V7-R10 PolarHBondContact O-N 3Å; V7-L11 HydrophobicContact CG1-CD1 4.33Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 WeakPolarHBondContact O-CG 3.05Å; V7-L11 PolarHBondContact O-N 3.41Å; V7-A164 HydrophobicContact CG1-CB 3.51Å; V7-V166 HydrophobicContact CG1-CG2 4.48Å
8L97.8Very high93.8Very high1 Ų170 Ų701%0.00536%0.362CS..Hα-helixtrans-66.6-37.1-177.3-69.9173.1000113H4 S5 L11 R12 V107 V136 N179 F181H4-L8 WeakPolarHBondContact O-CB 3.48Å; H4-L8 VanDerWaalsContact O-CG 3.26Å; H4-L8 WeakPolarHBondContact O-CG 3.38Å; H4-L8 PolarHBondContact O-N 2.99Å; S5-L8 PolarHBondContact O-N 3.06Å; L8-L11 PolarHBondContact O-N 3.26Å; L8-R12 WeakPolarHBondContact O-CB 3.34Å; L8-R12 VanDerWaalsContact O-CG 3.23Å; L8-R12 WeakPolarHBondContact O-CG 3.32Å; L8-R12 PolarHBondContact O-N 2.92Å; L8-V107 HydrophobicContact CD2-CG1 4.24Å; L8-V136 HydrophobicContact CD2-CG2 3.8Å; L8-N179 HydrophobicContact CD1-CB 3.25Å; L8-N179 VanDerWaalsContact CD1-CG 3.41Å; L8-F181 HydrophobicContact CD1-CZ 4.32Å; L8-F181 HydrophobicContact CD2-CD1 4.31Å; L8-F181 HydrophobicContact CD2-CE1 3.46Å; L8-F181 VanDerWaalsContact CD2-CE1 3.46Å; L8-F181 HydrophobicContact CD2-CZ 3.77Å
9E97.9Very high94Very high89 Ų8969.9 Ų69.942%0.41636%0.362SS..Hα-helixtrans-67.3-38.5177.2-169.455.8-150.700111.8S5 Q6 V7 R12 T13 R16S5-E9 WeakPolarHBondContact O-CB 3.1Å; S5-E9 PolarHBondContact O-N 3.25Å; Q6-E9 PolarHBondContact O-N 2.99Å; V7-E9 PolarHBondContact O-N 3.18Å; E9-R12 PolarHBondContact O-N 3.29Å; E9-T13 VanDerWaalsContact O-CB 3.31Å; E9-T13 WeakPolarHBondContact O-CB 3.44Å; E9-T13 PolarHBondContact O-N 3.24Å; E9-T13 PolarHBondContact O-OG1 3.28Å; E9-R16 IonicContact OE1-NH1 2.89Å
10R98.4Very high94.2Very high70 Ų7066.5 Ų66.526%0.26434%0.343SS..Hα-helixtrans-57.6-52171.3179.9178.868.5-125.81110.9D2 Q6 V7 R12 T13 G14 Q160D2-R10 IonicContact OD2-NH1 2.63Å; D2-R10 PolarHBondContact OD2-NH1 2.85Å; Q6-R10 PolarHBondContact O-N 3.34Å; Q6-R10 VanDerWaalsContact O-N 3.08Å; V7-R10 WeakPolarHBondContact O-CB 3.3Å; V7-R10 PolarHBondContact O-N 3Å; R10-R12 PolarHBondContact O-N 2.95Å; R10-T13 WeakPolarHBondContact O-CB 3.42Å; R10-T13 PolarHBondContact O-N 2.69Å; R10-G14 PolarHBondContact O-N 3.31Å; R10-Q160 PolarHBondContact NE-O 3.01Å
11L98.7Very high94.4Very high0 Ų067.4 Ų67.40%035%0.349CS..Hα-helixtrans-63.3-40.7-178.5-64.4-170.9000112.8V7 L8 T13 G14 F15 V107 C134 V136 D161 A164V7-L11 HydrophobicContact CG1-CD1 4.33Å; V7-L11 HydrophobicContact CG1-CG 4.5Å; V7-L11 WeakPolarHBondContact O-CG 3.05Å; V7-L11 PolarHBondContact O-N 3.41Å; L8-L11 PolarHBondContact O-N 3.26Å; L11-T13 VanDerWaalsContact C-N 3.34Å; L11-G14 PolarHBondContact O-N 3.11Å; L11-F15 WeakPolarHBondContact O-CB 3.47Å; L11-F15 PolarHBondContact O-N 3.3Å; L11-V107 HydrophobicContact CB-CG1 4.21Å; L11-V107 HydrophobicContact CB-CG2 4.17Å; L11-V107 HydrophobicContact CD1-CG1 4.12Å; L11-C134 HydrophobicContact CB-CB 4.26Å; L11-V136 HydrophobicContact CD1-CG2 3.46Å; L11-V136 VanDerWaalsContact CD1-CG2 3.46Å; L11-D161 WeakPolarHBondContact CA-O 3.21Å; L11-D161 WeakPolarHBondContact CD2-O 3.34Å; L11-A164 HydrophobicContact CD1-CB 4.16Å; L11-A164 HydrophobicContact CD2-CB 4.42Å
12R98.6Very high96.1Very high54 Ų5459.1 Ų59.120%0.20431%0.313CS..Hα-helixtrans-66.2-37.9175.8-72.5173.1-176153.72.3111.8L8 E9 R10 F15 R16 V107 R180L8-R12 WeakPolarHBondContact O-CB 3.34Å; L8-R12 VanDerWaalsContact O-CG 3.23Å; L8-R12 WeakPolarHBondContact O-CG 3.32Å; L8-R12 PolarHBondContact O-N 2.92Å; E9-R12 PolarHBondContact O-N 3.29Å; R10-R12 PolarHBondContact O-N 2.95Å; R12-F15 PolarHBondContact O-N 2.96Å; R12-R16 VanDerWaalsContact O-CB 3.31Å; R12-R16 WeakPolarHBondContact O-CB 3.49Å; R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.11Å; R12-V107 HydrophobicContact CB-CG2 4.47Å; R12-V107 HydrophobicContact CG-CG2 3.67Å; R12-R180 PolarHBondContact NH2-O 3.43Å
13T98.6Very high97.1Very high79 Ų7956.8 Ų56.849%0.48530%0.3SS..Hα-helixtrans-63.9-45.6174.1-61.30000110.5E9 R10 L11 R16 S17E9-T13 VanDerWaalsContact O-CB 3.31Å; E9-T13 WeakPolarHBondContact O-CB 3.44Å; E9-T13 PolarHBondContact O-N 3.24Å; E9-T13 PolarHBondContact O-OG1 3.28Å; R10-T13 WeakPolarHBondContact O-CB 3.42Å; R10-T13 PolarHBondContact O-N 2.69Å; L11-T13 VanDerWaalsContact C-N 3.34Å; T13-R16 PolarHBondContact O-N 3.22Å; T13-S17 PolarHBondContact O-N 3.43Å
14G98.3Very high97.5Very high7 Ų759.9 Ų59.97%0.07231%0.309CS..Hα-helixtrans-54.5-53.3172.500000111.8R10 L11 R16 S17 I19R10-G14 PolarHBondContact O-N 3.31Å; L11-G14 PolarHBondContact O-N 3.11Å; G14-R16 PolarHBondContact O-N 2.75Å; G14-S17 WeakPolarHBondContact O-CB 3.34Å; G14-S17 PolarHBondContact O-N 3.43Å; G14-S17 PolarHBondContact O-OG 2.85Å; G14-I19 WeakPolarHBondContact O-CG2 3.47Å
15F98.7Very high97.8Very high47 Ų4759.2 Ų59.221%0.20631%0.305CS..Hα-helixtrans-58.9-49.1177.9-177-107.1000113.1L11 R12 S17 G18 P104 G106 C134L11-F15 WeakPolarHBondContact O-CB 3.47Å; L11-F15 PolarHBondContact O-N 3.3Å; R12-F15 PolarHBondContact O-N 2.96Å; F15-S17 PolarHBondContact O-N 3.37Å; F15-G18 PolarHBondContact O-N 3.02Å; F15-P104 HydrophobicContact CE2-CB 3.84Å; F15-P104 HydrophobicContact CE2-CG 3.74Å; F15-P104 HydrophobicContact CZ-CB 4.21Å; F15-P104 HydrophobicContact CZ-CG 3.96Å; F15-G106 VanDerWaalsContact CZ-CA 3.47Å; F15-C134 HydrophobicContact CB-CB 4.48Å
16R98.6Very high98.2Very high175 Ų17556.3 Ų56.366%0.6628%0.282SS*.Hα-helixtrans-64.4-24.8-178.4-73.3171.8-174.1154.91.1113.6E9 R12 T13 G14 G18E9-R16 IonicContact OE1-NH1 2.89Å; R12-R16 VanDerWaalsContact O-CB 3.31Å; R12-R16 WeakPolarHBondContact O-CB 3.49Å; R12-R16 WeakPolarHBondContact O-CG 3.32Å; R12-R16 PolarHBondContact O-N 3.11Å; T13-R16 PolarHBondContact O-N 3.22Å; G14-R16 PolarHBondContact O-N 2.75Å; R16-G18 PolarHBondContact O-N 3.32Å
17S98.4Very high98.4Very high83 Ų8354.8 Ų54.858%0.5827%0.272SS*.THydrogen-bonded Turntrans-65.5-18.1173.378.10000112.9T13 G14 F15 I19T13-S17 PolarHBondContact O-N 3.43Å; G14-S17 WeakPolarHBondContact O-CB 3.34Å; G14-S17 PolarHBondContact O-N 3.43Å; G14-S17 PolarHBondContact O-OG 2.85Å; F15-S17 PolarHBondContact O-N 3.37Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 WeakPolarHBondContact OG-CB 3.44Å; S17-I19 PolarHBondContact OG-N 2.91Å
18G98.3Very high98.5Very high20 Ų2057.2 Ų57.221%0.20629%0.287CS..THydrogen-bonded Turntrans80.16.2-17600000114.2F15 R16 T20 L21 P22F15-G18 PolarHBondContact O-N 3.02Å; R16-G18 PolarHBondContact O-N 3.32Å; G18-T20 PolarHBondContact O-N 2.91Å; G18-T20 VanDerWaalsContact O-N 3.12Å; G18-L21 WeakPolarHBondContact O-CB 3.45Å; G18-L21 PolarHBondContact O-N 3.39Å; G18-P22 WeakPolarHBondContact O-CD 3.37Å
19I98.4Very high98.5Very high69 Ų6957.6 Ų57.635%0.35429%0.289SS..THydrogen-bonded Turntrans-57.3-28.6-177.9-162.6173000113.2G14 S17 P22 F25G14-I19 WeakPolarHBondContact O-CG2 3.47Å; S17-I19 VanDerWaalsContact C-N 3.3Å; S17-I19 WeakPolarHBondContact OG-CB 3.44Å; S17-I19 PolarHBondContact OG-N 2.91Å; I19-P22 WeakPolarHBondContact O-CD 3.33Å; I19-F25 HydrophobicContact CD1-CD2 4.46Å; I19-F25 HydrophobicContact CD1-CE2 4.01Å; I19-F25 HydrophobicContact CG1-CD2 3.89Å; I19-F25 HydrophobicContact CG1-CE2 3.81Å; I19-F25 VanDerWaalsContact O-CB 3.29Å; I19-F25 WeakPolarHBondContact O-CB 3.42Å; I19-F25 WeakPolarHBondContact O-CD2 3.42Å; I19-F25 WeakPolarHBondContact O-CG 3.49Å
20T98.5Very high98.6Very high0 Ų053.3 Ų53.30%027%0.269CS..THydrogen-bonded Turntrans-83.3-11.7-179.562.80000114.1G18 F25 R26 G132 C162G18-T20 PolarHBondContact O-N 2.91Å; G18-T20 VanDerWaalsContact O-N 3.12Å; T20-F25 HydrophobicContact CG2-CD1 4.42Å; T20-F25 HydrophobicContact CG2-CE1 3.84Å; T20-F25 HydrophobicContact CG2-CZ 4.45Å; T20-R26 WeakPolarHBondContact O-CG 3.26Å; T20-R26 PolarHBondContact O-NE 3.16Å; T20-G132 WeakPolarHBondContact CB-O 3.49Å; T20-G132 PolarHBondContact OG1-O 3.42Å; T20-C162 HydrophobicContact CG2-CB 4.33Å
21L97.9Very high98.6Very high86 Ų8653.5 Ų53.545%0.4528%0.277SS..SBendtrans-72.2-44.8-173.8-59179.1000113.8G18 R26 P104G18-L21 WeakPolarHBondContact O-CB 3.45Å; G18-L21 PolarHBondContact O-N 3.39Å; L21-R26 PolarHBondContact O-NE 2.95Å; L21-R26 PolarHBondContact O-NH2 3.03Å; L21-P104 HydrophobicContact CD2-CG 3.63Å
22P98.4Very high98.6Very high71 Ų7157.8 Ų57.846%0.46130%0.296SS..SBendtrans-62.7140-177.6-23.134.8000113G18 I19 E24 F25 R26G18-P22 WeakPolarHBondContact O-CD 3.37Å; I19-P22 WeakPolarHBondContact O-CD 3.33Å; P22-E24 PolarHBondContact O-N 3.17Å; P22-F25 PolarHBondContact O-N 2.87Å; P22-F25 VanDerWaalsContact O-N 3.14Å; P22-R26 PolarHBondContact O-N 3.31Å
23L98.5Very high98.6Very high39 Ų3955.2 Ų55.220%0.20429%0.287CS..Hα-helixtrans-52.2-41.9175.9173.561.4000112.5F25 R26 R27 V78 A79 I82L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 2.91Å; L23-R26 PolarHBondContact O-N 3.43Å; L23-R27 HydrophobicContact CD1-CG 4.06Å; L23-R27 HydrophobicContact CG-CG 4.46Å; L23-R27 PolarHBondContact O-N 3.02Å; L23-V78 HydrophobicContact CD1-CG1 3.78Å; L23-V78 HydrophobicContact CD1-CG2 4.29Å; L23-A79 HydrophobicContact CD1-CB 4.13Å; L23-A79 HydrophobicContact CD2-CB 3.75Å; L23-I82 HydrophobicContact CB-CD1 4.01Å; L23-I82 HydrophobicContact CD1-CD1 4.07Å; L23-I82 HydrophobicContact CD2-CD1 4.43Å; L23-I82 HydrophobicContact CG-CD1 4.39Å
24E98.6Very high98.6Very high121 Ų12152.2 Ų52.257%0.56527%0.268SS*.Hα-helixtrans-62.6-37.9-178.2-65.4-52132.200112.7P22 T28P22-E24 PolarHBondContact O-N 3.17Å; E24-T28 VanDerWaalsContact O-CB 3.27Å; E24-T28 WeakPolarHBondContact O-CB 3.37Å; E24-T28 PolarHBondContact O-N 3.33Å; E24-T28 PolarHBondContact O-OG1 3.36Å
25F98.8Very high98.6Very high31 Ų3153.4 Ų53.414%0.13628%0.277CS..Hα-helixtrans-64.3-48.1175.3-178.6-89.7000110.5I19 T20 P22 L23 R27 T28 Q29 C162 Y163I19-F25 HydrophobicContact CD1-CD2 4.46Å; I19-F25 HydrophobicContact CD1-CE2 4.01Å; I19-F25 HydrophobicContact CG1-CD2 3.89Å; I19-F25 HydrophobicContact CG1-CE2 3.81Å; I19-F25 VanDerWaalsContact O-CB 3.29Å; I19-F25 WeakPolarHBondContact O-CB 3.42Å; I19-F25 WeakPolarHBondContact O-CD2 3.42Å; I19-F25 WeakPolarHBondContact O-CG 3.49Å; T20-F25 HydrophobicContact CG2-CD1 4.42Å; T20-F25 HydrophobicContact CG2-CE1 3.84Å; T20-F25 HydrophobicContact CG2-CZ 4.45Å; P22-F25 PolarHBondContact O-N 2.87Å; P22-F25 VanDerWaalsContact O-N 3.14Å; L23-F25 VanDerWaalsContact C-N 3.33Å; L23-F25 PolarHBondContact O-N 2.91Å; F25-R27 PolarHBondContact O-N 3.33Å; F25-T28 PolarHBondContact O-N 3.5Å; F25-Q29 HydrophobicContact CD1-CG 3.91Å; F25-Q29 HydrophobicContact CE1-CG 3.52Å; F25-Q29 HydrophobicContact CE2-CG 4.28Å; F25-Q29 HydrophobicContact CG-CG 4.47Å; F25-Q29 HydrophobicContact CZ-CG 3.73Å; F25-Q29 WeakPolarHBondContact O-CG 3.47Å; F25-Q29 PolarHBondContact O-N 2.95Å; F25-C162 HydrophobicContact CZ-CB 4.31Å; F25-Y163 HydrophobicContact CE1-CE2 4.49Å
26R98.8Very high98.6Very high17 Ų1751.4 Ų51.46%0.06427%0.268CS..Hα-helixtrans-59.6-49.2-179.7-54-174-159.4-165.1-0111.3T20 L21 P22 L23 T28 Q29 L30 A130 A131T20-R26 WeakPolarHBondContact O-CG 3.26Å; T20-R26 PolarHBondContact O-NE 3.16Å; L21-R26 PolarHBondContact O-NE 2.95Å; L21-R26 PolarHBondContact O-NH2 3.03Å; P22-R26 PolarHBondContact O-N 3.31Å; L23-R26 PolarHBondContact O-N 3.43Å; R26-T28 VanDerWaalsContact C-N 3.32Å; R26-T28 PolarHBondContact O-N 3.08Å; R26-Q29 PolarHBondContact O-N 3.48Å; R26-L30 VanDerWaalsContact O-CG 3.29Å; R26-L30 WeakPolarHBondContact O-CG 3.36Å; R26-L30 PolarHBondContact O-N 3.39Å; R26-A130 WeakPolarHBondContact CD-O 3.23Å; R26-A130 PolarHBondContact NH1-O 3.4Å; R26-A131 PolarHBondContact NH1-O 3.11Å
27R98.8Very high98.6Very high78 Ų7843.1 Ų43.129%0.29424%0.237SC..Hα-helixtrans-58.1-44.1175.7-79.8-178.8162.8171.6-6.8112L23 F25 Q29 L30 T31 V78L23-R27 HydrophobicContact CD1-CG 4.06Å; L23-R27 HydrophobicContact CG-CG 4.46Å; L23-R27 PolarHBondContact O-N 3.02Å; F25-R27 PolarHBondContact O-N 3.33Å; R27-Q29 PolarHBondContact O-N 3.33Å; R27-L30 PolarHBondContact O-N 3.49Å; R27-T31 WeakPolarHBondContact O-CB 3.37Å; R27-T31 PolarHBondContact O-N 3.05Å; R27-T31 PolarHBondContact O-OG1 3.45Å; R27-V78 HydrophobicContact CG-CG1 3.81Å
28T98.9Very high98.6Very high65 Ų6544 Ų4440%0.39923%0.23SC..Hα-helixtrans-61.1-45.6178.3-62.10000111.8E24 F25 R26 T31 K32E24-T28 VanDerWaalsContact O-CB 3.27Å; E24-T28 WeakPolarHBondContact O-CB 3.37Å; E24-T28 PolarHBondContact O-N 3.33Å; E24-T28 PolarHBondContact O-OG1 3.36Å; F25-T28 PolarHBondContact O-N 3.5Å; R26-T28 VanDerWaalsContact C-N 3.32Å; R26-T28 PolarHBondContact O-N 3.08Å; T28-T31 PolarHBondContact O-N 3.05Å; T28-K32 HydrophobicContact CG2-CD 4.05Å; T28-K32 WeakPolarHBondContact O-CB 3.33Å; T28-K32 VanDerWaalsContact O-CG 3.3Å; T28-K32 WeakPolarHBondContact O-CG 3.19Å; T28-K32 PolarHBondContact O-N 3.19Å
29Q98.9Very high98.7Very high8 Ų848 Ų484%0.03725%0.247CC..Hα-helixtrans-67.2-40.4178.4-61.9-59.7-47.800111.8F25 R26 R27 K32 L33 I129 L158 Y163F25-Q29 HydrophobicContact CD1-CG 3.91Å; F25-Q29 HydrophobicContact CE1-CG 3.52Å; F25-Q29 HydrophobicContact CE2-CG 4.28Å; F25-Q29 HydrophobicContact CG-CG 4.47Å; F25-Q29 HydrophobicContact CZ-CG 3.73Å; F25-Q29 WeakPolarHBondContact O-CG 3.47Å; F25-Q29 PolarHBondContact O-N 2.95Å; R26-Q29 PolarHBondContact O-N 3.48Å; R27-Q29 PolarHBondContact O-N 3.33Å; Q29-K32 PolarHBondContact O-N 3.46Å; Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 2.88Å; Q29-I129 HydrophobicContact CB-CG2 3.73Å; Q29-L158 WeakPolarHBondContact O-CD2 3.28Å; Q29-Y163 HydrophobicContact CB-CE2 4.29Å; Q29-Y163 HydrophobicContact CG-CE2 3.85Å
30L98.9Very high98.7Very high0 Ų045.3 Ų45.30%023%0.233CC..Hα-helixtrans-62.3-44.5174.6-69.5170.3000112R26 R27 K32 L33 L34 L71 A74 I75 V78 V126 I129 A130R26-L30 VanDerWaalsContact O-CG 3.29Å; R26-L30 WeakPolarHBondContact O-CG 3.36Å; R26-L30 PolarHBondContact O-N 3.39Å; R27-L30 PolarHBondContact O-N 3.49Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.92Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.37Å; L30-L34 PolarHBondContact O-N 2.91Å; L30-L71 HydrophobicContact CD2-CD2 4.09Å; L30-A74 HydrophobicContact CD1-CB 4.24Å; L30-I75 HydrophobicContact CB-CD1 4.22Å; L30-I75 HydrophobicContact CB-CG1 3.64Å; L30-I75 HydrophobicContact CD1-CG1 4.34Å; L30-V78 HydrophobicContact CD1-CG1 4.48Å; L30-V126 HydrophobicContact CD2-CB 4.49Å; L30-V126 HydrophobicContact CD2-CG1 3.92Å; L30-I129 HydrophobicContact CD2-CB 4.01Å; L30-I129 HydrophobicContact CD2-CG2 3.85Å; L30-I129 HydrophobicContact CG-CB 4.46Å; L30-I129 HydrophobicContact CG-CG2 3.75Å; L30-A130 HydrophobicContact CD1-CB 4.36Å
31T98.9Very high98.7Very high73 Ų7348.1 Ų48.145%0.44825%0.246SC..Hα-helixtrans-64.3-37.3176.3-60.40000111.9R27 T28 L34 A35R27-T31 WeakPolarHBondContact O-CB 3.37Å; R27-T31 PolarHBondContact O-N 3.05Å; R27-T31 PolarHBondContact O-OG1 3.45Å; T28-T31 PolarHBondContact O-N 3.05Å; T31-L34 WeakPolarHBondContact O-CB 3.31Å; T31-L34 PolarHBondContact O-N 3.33Å; T31-A35 PolarHBondContact O-N 2.87Å
32K98.9Very high98.7Very high91 Ų9151.9 Ų51.940%0.39626%0.262SS..Hα-helixtrans-67.3-36.2173.7-77.3170.9156-147.50112.5T28 Q29 L30 L34 A35 L36 Y157 L158T28-K32 HydrophobicContact CG2-CD 4.05Å; T28-K32 WeakPolarHBondContact O-CB 3.33Å; T28-K32 VanDerWaalsContact O-CG 3.3Å; T28-K32 WeakPolarHBondContact O-CG 3.19Å; T28-K32 PolarHBondContact O-N 3.19Å; Q29-K32 PolarHBondContact O-N 3.46Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 2.92Å; K32-L34 VanDerWaalsContact C-N 3.34Å; K32-A35 PolarHBondContact O-N 3.28Å; K32-L36 PolarHBondContact O-N 3.45Å; K32-Y157 WeakPolarHBondContact CD-O 3.36Å; K32-Y157 PolarHBondContact NZ-O 3.46Å; K32-Y157 WeakPolarHBondContact O-CD1 3.11Å; K32-L158 HydrophobicContact CB-CD2 4.12Å
33L98.8Very high98.7Very high0 Ų052.6 Ų52.60%026%0.259CS..Hα-helixtrans-66.9-37.4173.6-170.952000111.5Q29 L30 L36 V37 L71 I122 L125 V126 I129 I154 L158Q29-L33 WeakPolarHBondContact O-CB 3.31Å; Q29-L33 PolarHBondContact O-N 2.88Å; L30-L33 WeakPolarHBondContact O-CB 3.47Å; L30-L33 PolarHBondContact O-N 3.37Å; L33-L36 HydrophobicContact CD1-CD1 4.5Å; L33-L36 WeakPolarHBondContact O-CB 3.46Å; L33-L36 PolarHBondContact O-N 3.05Å; L33-V37 WeakPolarHBondContact O-CG2 3.33Å; L33-V37 PolarHBondContact O-N 3.2Å; L33-V37 VanDerWaalsContact O-N 3.16Å; L33-L71 HydrophobicContact CB-CD2 4.07Å; L33-L71 HydrophobicContact CD2-CD2 4.08Å; L33-L71 HydrophobicContact CG-CD1 4.31Å; L33-L71 HydrophobicContact CG-CD2 4.09Å; L33-I122 HydrophobicContact CD1-CD1 4.33Å; L33-I122 HydrophobicContact CD1-CG2 4.07Å; L33-I122 HydrophobicContact CD2-CG2 3.92Å; L33-I122 HydrophobicContact CG-CG2 4.02Å; L33-L125 HydrophobicContact CD1-CD2 4.39Å; L33-L125 HydrophobicContact CD2-CD2 4.02Å; L33-L125 HydrophobicContact CD2-CG 4.18Å; L33-V126 HydrophobicContact CD2-CG2 4.16Å; L33-I129 HydrophobicContact CD2-CD1 3.82Å; L33-I154 HydrophobicContact CD1-CD1 4.3Å; L33-L158 HydrophobicContact CB-CD2 4.18Å; L33-L158 HydrophobicContact CD1-CD1 4.37Å
34L98.9Very high98.8Very high16 Ų1651 Ų518%0.08425%0.25CS..Hα-helixtrans-63.2-42.8171.2-179.363.9000112.2L30 T31 K32 V37 K38 T68 L71 I75L30-L34 PolarHBondContact O-N 2.91Å; T31-L34 WeakPolarHBondContact O-CB 3.31Å; T31-L34 PolarHBondContact O-N 3.33Å; K32-L34 VanDerWaalsContact C-N 3.34Å; L34-V37 PolarHBondContact O-N 2.9Å; L34-K38 HydrophobicContact CD1-CD 4.21Å; L34-K38 HydrophobicContact CD1-CG 4.42Å; L34-K38 HydrophobicContact CG-CD 4.28Å; L34-K38 WeakPolarHBondContact O-CG 3.24Å; L34-K38 PolarHBondContact O-N 3.32Å; L34-T68 HydrophobicContact CD1-CG2 3.95Å; L34-L71 HydrophobicContact CB-CB 4.42Å; L34-L71 HydrophobicContact CB-CD1 4.05Å; L34-L71 HydrophobicContact CD1-CB 4.13Å; L34-L71 HydrophobicContact CD1-CD1 4.1Å; L34-I75 HydrophobicContact CB-CD1 4.49Å; L34-I75 HydrophobicContact CD2-CD1 4.04Å
35A98.8Very high98.8Very high32 Ų3246.1 Ų46.126%0.26423%0.229SC..Hα-helixtrans-62.5-42.9173.500000111.5T31 K32 V37 K38 D39 Y157T31-A35 PolarHBondContact O-N 2.87Å; K32-A35 PolarHBondContact O-N 3.28Å; A35-V37 VanDerWaalsContact C-N 3.29Å; A35-V37 PolarHBondContact O-N 3.44Å; A35-K38 PolarHBondContact O-N 3.34Å; A35-D39 WeakPolarHBondContact O-CB 3.14Å; A35-D39 PolarHBondContact O-N 3.47Å; A35-Y157 HydrophobicContact CB-CD1 4.22Å; A35-Y157 HydrophobicContact CB-CE1 3.96Å
36L98.8Very high98.8Very high5 Ų550.9 Ų50.93%0.02625%0.25CC..Hα-helixtrans-53-47.4175.5179.8156.2000111.5K32 L33 N40 L153 I154 Y157K32-L36 PolarHBondContact O-N 3.45Å; L33-L36 HydrophobicContact CD1-CD1 4.5Å; L33-L36 WeakPolarHBondContact O-CB 3.46Å; L33-L36 PolarHBondContact O-N 3.05Å; L36-N40 WeakPolarHBondContact O-CB 3.3Å; L36-N40 PolarHBondContact O-N 2.81Å; L36-N40 PolarHBondContact O-ND2 3Å; L36-L153 HydrophobicContact CD1-CB 3.83Å; L36-L153 HydrophobicContact CD2-CB 4.46Å; L36-L153 HydrophobicContact CD2-CD1 4.36Å; L36-L153 HydrophobicContact CG-CB 4.07Å; L36-L153 HydrophobicContact CG-CD1 4.46Å; L36-I154 HydrophobicContact CD1-CD1 3.89Å; L36-I154 HydrophobicContact CD1-CG1 4.39Å; L36-Y157 HydrophobicContact CB-CD1 3.83Å; L36-Y157 HydrophobicContact CB-CD2 3.87Å; L36-Y157 HydrophobicContact CB-CE1 4.2Å; L36-Y157 HydrophobicContact CB-CE2 4.24Å; L36-Y157 HydrophobicContact CB-CG 3.65Å; L36-Y157 HydrophobicContact CD1-CD2 3.87Å; L36-Y157 HydrophobicContact CD1-CG 4.07Å; L36-Y157 HydrophobicContact CG-CD2 3.92Å; L36-Y157 HydrophobicContact CG-CE2 4.3Å; L36-Y157 HydrophobicContact CG-CG 4.18Å
37V98.6Very high98.8Very high0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-68.1-47.5-179.2175.40000111L33 L34 A35 E41 V64 V67L33-V37 WeakPolarHBondContact O-CG2 3.33Å; L33-V37 PolarHBondContact O-N 3.2Å; L33-V37 VanDerWaalsContact O-N 3.16Å; L34-V37 PolarHBondContact O-N 2.9Å; A35-V37 VanDerWaalsContact C-N 3.29Å; A35-V37 PolarHBondContact O-N 3.44Å; V37-E41 PolarHBondContact O-N 3.3Å; V37-V64 HydrophobicContact CG1-CG1 3.83Å; V37-V67 HydrophobicContact CG2-CG1 3.87Å
38K98.3Very high98.8Very high101 Ų10146.7 Ų46.744%0.43924%0.235SC..Hα-helixtrans-68.1-45.4-176.7-73.7-175173.4177.10113.4L34 A35 N40 H72L34-K38 HydrophobicContact CD1-CD 4.21Å; L34-K38 HydrophobicContact CD1-CG 4.42Å; L34-K38 HydrophobicContact CG-CD 4.28Å; L34-K38 WeakPolarHBondContact O-CG 3.24Å; L34-K38 PolarHBondContact O-N 3.32Å; A35-K38 PolarHBondContact O-N 3.34Å; K38-N40 PolarHBondContact O-N 3.44Å; K38-H72 PolarHBondContact NZ-NE2 3.48Å; K38-H72 VanDerWaalsContact NZ-NE2 3.18Å
39D98.6Very high98.8Very high104 Ų10448.7 Ų48.756%0.55624%0.239SC*.Hα-helixtrans-68.7-20.4-176.4-62.2-14.6000112.4A35 Y157A35-D39 WeakPolarHBondContact O-CB 3.14Å; A35-D39 PolarHBondContact O-N 3.47Å; D39-Y157 VanDerWaalsContact CB-OH 3.24Å; D39-Y157 WeakPolarHBondContact CB-OH 3.33Å; D39-Y157 WeakPolarHBondContact OD2-CE1 3.13Å; D39-Y157 PolarHBondContact OD2-OH 3.01Å
40N98.8Very high98.8Very high14 Ų1454.1 Ų54.18%0.07527%0.265CS..THydrogen-bonded Turntrans-120.917.6-172.1-56.6-85.1000113.1L36 K38 E42 Q43 I44 L153 Y157L36-N40 WeakPolarHBondContact O-CB 3.3Å; L36-N40 PolarHBondContact O-N 2.81Å; L36-N40 PolarHBondContact O-ND2 3Å; K38-N40 PolarHBondContact O-N 3.44Å; N40-E42 VanDerWaalsContact C-N 3.29Å; N40-E42 PolarHBondContact O-N 3.47Å; N40-Q43 HydrophobicContact CB-CB 4.5Å; N40-Q43 PolarHBondContact O-N 3.29Å; N40-Q43 PolarHBondContact OD1-NE2 3.48Å; N40-I44 HydrophobicContact CB-CD1 4.49Å; N40-I44 WeakPolarHBondContact O-CG1 3.35Å; N40-I44 PolarHBondContact O-N 3.39Å; N40-L153 HydrophobicContact CB-CD1 3.7Å; N40-Y157 PolarHBondContact ND2-OH 3.36Å; N40-Y157 VanDerWaalsContact ND2-OH 3.12Å
41E98.8Very high98.8Very high59 Ų5954.8 Ų54.828%0.27627%0.269SS..Hα-helixtrans-50.9-46.5-178.6-176.7-178116.700112.3V37 Q43 I44 V45 V64V37-E41 PolarHBondContact O-N 3.3Å; E41-Q43 VanDerWaalsContact C-N 3.34Å; E41-Q43 PolarHBondContact O-N 2.72Å; E41-I44 WeakPolarHBondContact O-CB 3.34Å; E41-I44 PolarHBondContact O-N 3.47Å; E41-V45 HydrophobicContact CG-CG2 4.44Å; E41-V45 WeakPolarHBondContact O-CG2 3.17Å; E41-V45 PolarHBondContact O-N 3.05Å; E41-V64 HydrophobicContact CG-CG1 4.19Å; E41-V64 HydrophobicContact CG-CG2 4.27Å
42E98.7Very high98.7Very high165 Ų16551.4 Ų51.477%0.77125%0.248SC*.Hα-helixtrans-63.2-39.3179.9-65.2-172.2165.500112.7N40 K46N40-E42 VanDerWaalsContact C-N 3.29Å; N40-E42 PolarHBondContact O-N 3.47Å; E42-K46 WeakPolarHBondContact O-CB 3.31Å; E42-K46 PolarHBondContact O-N 3.32Å
43Q98.8Very high98.7Very high86 Ų8648.4 Ų48.440%0.40224%0.24SC..Hα-helixtrans-69.4-38.3177.4-66.5178.365.500111.1N40 E41 K46 A47 L149N40-Q43 HydrophobicContact CB-CB 4.5Å; N40-Q43 PolarHBondContact O-N 3.29Å; N40-Q43 PolarHBondContact OD1-NE2 3.48Å; E41-Q43 VanDerWaalsContact C-N 3.34Å; E41-Q43 PolarHBondContact O-N 2.72Å; Q43-K46 PolarHBondContact O-N 2.9Å; Q43-A47 WeakPolarHBondContact O-CB 3.25Å; Q43-A47 PolarHBondContact O-N 3Å; Q43-L149 HydrophobicContact CB-CD1 4.04Å; Q43-L149 HydrophobicContact CB-CD2 4.31Å
44I98.9Very high98.7Very high4 Ų448.4 Ų48.42%0.02124%0.24CC..Hα-helixtrans-60.6-53.7174.1-71.1162.8000109.9N40 E41 K46 A47 L48 V64 L118 L149N40-I44 HydrophobicContact CB-CD1 4.49Å; N40-I44 WeakPolarHBondContact O-CG1 3.35Å; N40-I44 PolarHBondContact O-N 3.39Å; E41-I44 WeakPolarHBondContact O-CB 3.34Å; E41-I44 PolarHBondContact O-N 3.47Å; I44-K46 VanDerWaalsContact C-N 3.25Å; I44-K46 PolarHBondContact O-N 3.25Å; I44-A47 PolarHBondContact O-N 3.48Å; I44-A47 VanDerWaalsContact O-N 3.15Å; I44-L48 HydrophobicContact CG2-CD1 3.79Å; I44-L48 HydrophobicContact CG2-CG 4.36Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.32Å; I44-L48 PolarHBondContact O-N 2.89Å; I44-V64 HydrophobicContact CG2-CG2 4Å; I44-L118 HydrophobicContact CB-CD2 4.46Å; I44-L118 HydrophobicContact CD1-CD2 3.8Å; I44-L118 HydrophobicContact CG1-CD2 4.07Å; I44-L118 HydrophobicContact CG2-CD2 3.57Å; I44-L149 HydrophobicContact CB-CD2 4.44Å; I44-L149 HydrophobicContact CG1-CD2 3.9Å
45V98.9Very high98.7Very high19 Ų1947.9 Ų47.912%0.11524%0.237CC..Hα-helixtrans-56.8-42.5178.5170.40000110.7E41 L48 H49 K56 I60E41-V45 HydrophobicContact CG-CG2 4.44Å; E41-V45 WeakPolarHBondContact O-CG2 3.17Å; E41-V45 PolarHBondContact O-N 3.05Å; V45-L48 PolarHBondContact O-N 3.32Å; V45-H49 WeakPolarHBondContact O-CB 3.24Å; V45-H49 PolarHBondContact O-N 2.85Å; V45-K56 HydrophobicContact CG1-CB 4.08Å; V45-K56 HydrophobicContact CG1-CG 4.01Å; V45-I60 HydrophobicContact CG2-CG1 4.06Å
46K98.9Very high98.7Very high132 Ų13252.7 Ų52.757%0.57425%0.252SS*.Hα-helixtrans-62.7-45.2177.5-176.2-179.2177.9-176.80112.4E42 Q43 I44 H49 Q50E42-K46 WeakPolarHBondContact O-CB 3.31Å; E42-K46 PolarHBondContact O-N 3.32Å; Q43-K46 PolarHBondContact O-N 2.9Å; I44-K46 VanDerWaalsContact C-N 3.25Å; I44-K46 PolarHBondContact O-N 3.25Å; K46-H49 PolarHBondContact O-N 2.75Å; K46-Q50 WeakPolarHBondContact O-CG 3.5Å; K46-Q50 PolarHBondContact O-N 3.27Å
47A98.9Very high98.7Very high6 Ų659.3 Ų59.35%0.0528%0.281CS..Hα-helixtrans-63.9-44.2178.400000111.6Q43 I44 H49 Q50 D51 A145 L149Q43-A47 WeakPolarHBondContact O-CB 3.25Å; Q43-A47 PolarHBondContact O-N 3Å; I44-A47 PolarHBondContact O-N 3.48Å; I44-A47 VanDerWaalsContact O-N 3.15Å; A47-H49 VanDerWaalsContact C-N 3.31Å; A47-H49 PolarHBondContact O-N 3.38Å; A47-Q50 WeakPolarHBondContact O-CB 3.39Å; A47-Q50 PolarHBondContact O-N 3.42Å; A47-Q50 VanDerWaalsContact O-N 3.13Å; A47-D51 PolarHBondContact O-N 2.88Å; A47-A145 HydrophobicContact CB-CB 4.01Å; A47-L149 HydrophobicContact CB-CD2 3.96Å
48L98.8Very high98.6Very high1 Ų160 Ų601%0.00528%0.284CS..Hα-helixtrans-62.2-39176.4-67.4174.8000112.3I44 V45 D51 L52 K54 E63 P117I44-L48 HydrophobicContact CG2-CD1 3.79Å; I44-L48 HydrophobicContact CG2-CG 4.36Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.32Å; I44-L48 PolarHBondContact O-N 2.89Å; V45-L48 PolarHBondContact O-N 3.32Å; L48-D51 PolarHBondContact O-N 2.86Å; L48-L52 PolarHBondContact O-N 3.43Å; L48-K54 HydrophobicContact CB-CB 4.38Å; L48-E63 HydrophobicContact CD1-CB 3.93Å; L48-E63 HydrophobicContact CD1-CG 3.93Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.37Å; L48-P117 HydrophobicContact CD2-CG 3.56Å
49H98.8Very high98.6Very high106 Ų10655.1 Ų55.149%0.49126%0.263SS..Hα-helixtrans-66.1-37.9174.5-16976.1000112.1V45 K46 A47 A53 K54V45-H49 WeakPolarHBondContact O-CB 3.24Å; V45-H49 PolarHBondContact O-N 2.85Å; K46-H49 PolarHBondContact O-N 2.75Å; A47-H49 VanDerWaalsContact C-N 3.31Å; A47-H49 PolarHBondContact O-N 3.38Å; H49-A53 WeakPolarHBondContact O-CA 3.19Å; H49-A53 PolarHBondContact O-N 3Å; H49-K54 PolarHBondContact ND1-O 2.79Å; H49-K54 VanDerWaalsContact ND1-O 3.14Å
50Q98.6Very high98.6Very high123 Ų12352 Ų5258%0.57525%0.246SC*.Hα-helixtrans-65.8-39.9175.9-73.3174.3-7.800112.5K46 A47 A145K46-Q50 WeakPolarHBondContact O-CG 3.5Å; K46-Q50 PolarHBondContact O-N 3.27Å; A47-Q50 WeakPolarHBondContact O-CB 3.39Å; A47-Q50 PolarHBondContact O-N 3.42Å; A47-Q50 VanDerWaalsContact O-N 3.13Å; Q50-A145 HydrophobicContact CB-CB 3.91Å
51D98.6Very high98.6Very high14 Ų1455 Ų558%0.07526%0.262CS..Hα-helixtrans-78.9-37.4-175.9-70.7-35.4000112.9A47 L48 S143 S144 A145 T146A47-D51 PolarHBondContact O-N 2.88Å; L48-D51 PolarHBondContact O-N 2.86Å; D51-S143 VanDerWaalsContact CG-CA 3.44Å; D51-S143 WeakPolarHBondContact OD1-CA 3.21Å; D51-S143 VanDerWaalsContact OD2-C 3.23Å; D51-S143 WeakPolarHBondContact OD2-CA 3.44Å; D51-S143 WeakPolarHBondContact OD2-CB 3.49Å; D51-S144 PolarHBondContact OD1-N 2.89Å; D51-A145 WeakPolarHBondContact OD1-CB 3.48Å; D51-A145 PolarHBondContact OD1-N 2.98Å; D51-A145 PolarHBondContact OD2-N 3.5Å; D51-T146 WeakPolarHBondContact OD2-CB 3.42Å; D51-T146 PolarHBondContact OD2-N 3.1Å; D51-T146 PolarHBondContact OD2-OG1 2.97Å
52L98.6Very high98.5Very high2 Ų252.8 Ų52.81%0.0125%0.253CS..Hα-helixtrans-129.20.3-168.3-69.7165.5000114.1L48 K54 W114 N115 R284 V286L48-L52 PolarHBondContact O-N 3.43Å; L52-K54 HydrophobicContact CB-CB 4.09Å; L52-K54 PolarHBondContact O-N 2.72Å; L52-K54 VanDerWaalsContact O-N 3.13Å; L52-W114 HydrophobicContact CD2-CE3 4.33Å; L52-W114 HydrophobicContact CD2-CZ3 4.35Å; L52-N115 WeakPolarHBondContact CD1-O 3.33Å; L52-R284 PolarHBondContact O-N 3.49Å; L52-V286 HydrophobicContact CD2-CB 3.66Å; L52-V286 HydrophobicContact CD2-CG2 3.63Å; L52-V286 HydrophobicContact CG-CG2 4.5Å
53A98.4Very high98.5Very high27 Ų2745 Ų4522%0.22322%0.216CC..  trans50.129.3-162.600000112.1H49 R284H49-A53 WeakPolarHBondContact O-CA 3.19Å; H49-A53 PolarHBondContact O-N 3Å; A53-R284 HydrophobicContact CB-CB 3.96Å; A53-R284 HydrophobicContact CB-CG 3.53Å
54K98.6Very high98.5Very high0 Ų041 Ų410%020%0.197CC..  trans-62129.7-173.6-167.6172.3-68.6-173.90109.5L48 H49 L52 E58 S59 E63 N115 N239 S283L48-K54 HydrophobicContact CB-CB 4.38Å; H49-K54 PolarHBondContact ND1-O 2.79Å; H49-K54 VanDerWaalsContact ND1-O 3.14Å; L52-K54 HydrophobicContact CB-CB 4.09Å; L52-K54 PolarHBondContact O-N 2.72Å; L52-K54 VanDerWaalsContact O-N 3.13Å; K54-E58 HydrophobicContact CD-CB 4.33Å; K54-E58 HydrophobicContact CG-CB 3.88Å; K54-S59 WeakPolarHBondContact CG-OG 3.35Å; K54-E63 IonicContact NZ-OE1 3.63Å; K54-E63 PolarHBondContact NZ-OE1 3.29Å; K54-N115 PolarHBondContact NZ-O 2.85Å; K54-N239 WeakPolarHBondContact CE-OD1 3.49Å; K54-S283 WeakPolarHBondContact CA-OG 3.31Å
55P98.5Very high98.4Very high5 Ų544.3 Ų44.33%0.03221%0.213CC..  trans-58.6150174.8-23.331.8000111.1F57 E58 S59 P280 D281 S283P55-F57 PolarHBondContact O-N 2.91Å; P55-E58 HydrophobicContact CB-CB 4.42Å; P55-E58 HydrophobicContact CB-CG 4.14Å; P55-E58 WeakPolarHBondContact CD-OE2 3.36Å; P55-E58 HydrophobicContact CG-CG 3.98Å; P55-E58 PolarHBondContact O-N 2.93Å; P55-S59 WeakPolarHBondContact O-CB 3.46Å; P55-S59 PolarHBondContact O-N 3.4Å; P55-S59 PolarHBondContact O-OG 2.97Å; P55-P280 WeakPolarHBondContact CB-O 3.36Å; P55-P280 WeakPolarHBondContact CG-O 3.34Å; P55-D281 VanDerWaalsContact CG-CA 3.49Å; P55-D281 WeakPolarHBondContact CG-O 3.32Å; P55-S283 VanDerWaalsContact CD-OG 3.28Å; P55-S283 WeakPolarHBondContact CD-OG 3.3Å
56K98.5Very high98.3Very high133 Ų13344.3 Ų44.358%0.57821%0.212SC*.Hα-helixtrans-56-43.1177.4174.9173.2-179.8177.90111.4V45 S59 I60V45-K56 HydrophobicContact CG1-CB 4.08Å; V45-K56 HydrophobicContact CG1-CG 4.01Å; K56-S59 WeakPolarHBondContact O-CB 3.32Å; K56-S59 PolarHBondContact O-N 3.08Å; K56-I60 HydrophobicContact CD-CD1 4.43Å; K56-I60 HydrophobicContact CG-CD1 3.86Å; K56-I60 HydrophobicContact CG-CG1 4.48Å; K56-I60 WeakPolarHBondContact O-CG1 3.48Å; K56-I60 PolarHBondContact O-N 3.16Å
57F98.3Very high98.3Very high145 Ų14538 Ų3864%0.63619%0.185SC*.Hα-helixtrans-61.3-50.2179.7-173.7-85.5000111.7P55 S59 I60 L61P55-F57 PolarHBondContact O-N 2.91Å; F57-S59 VanDerWaalsContact C-N 3.31Å; F57-S59 PolarHBondContact O-N 3.31Å; F57-I60 PolarHBondContact O-N 2.76Å; F57-L61 HydrophobicContact CE1-CD2 3.94Å; F57-L61 WeakPolarHBondContact O-CB 3.41Å; F57-L61 PolarHBondContact O-N 2.91Å
58E98.1Very high98.2Very high13 Ų1338.2 Ų38.26%0.06119%0.185CC..Hα-helixtrans-61.2-40.7177-61.8-160.6153.300111.7K54 P55 L61 S62 F238 N239 S283K54-E58 HydrophobicContact CD-CB 4.33Å; K54-E58 HydrophobicContact CG-CB 3.88Å; P55-E58 HydrophobicContact CB-CB 4.42Å; P55-E58 HydrophobicContact CB-CG 4.14Å; P55-E58 WeakPolarHBondContact CD-OE2 3.36Å; P55-E58 HydrophobicContact CG-CG 3.98Å; P55-E58 PolarHBondContact O-N 2.93Å; E58-L61 PolarHBondContact O-N 3.18Å; E58-S62 VanDerWaalsContact O-CB 3.32Å; E58-S62 WeakPolarHBondContact O-CB 3.5Å; E58-S62 PolarHBondContact O-N 3.03Å; E58-S62 PolarHBondContact O-OG 3.3Å; E58-F238 HydrophobicContact CB-CE2 3.77Å; E58-F238 HydrophobicContact CB-CZ 3.76Å; E58-F238 HydrophobicContact CG-CD2 3.9Å; E58-F238 HydrophobicContact CG-CE2 3.44Å; E58-F238 VanDerWaalsContact CG-CE2 3.44Å; E58-F238 HydrophobicContact CG-CZ 3.97Å; E58-F238 WeakPolarHBondContact OE1-CA 3.29Å; E58-F238 WeakPolarHBondContact OE1-CD2 3.42Å; E58-N239 PolarHBondContact OE1-N 3Å; E58-N239 PolarHBondContact OE2-N 3.42Å; E58-N239 VanDerWaalsContact OE2-N 3.09Å; E58-S283 PolarHBondContact OE2-OG 3.36Å; E58-S283 VanDerWaalsContact OE2-OG 3.12Å
59S98.6Very high98.2Very high0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-60.5-47.8179-60.50000111.8K54 P55 K56 F57 E63 V64K54-S59 WeakPolarHBondContact CG-OG 3.35Å; P55-S59 WeakPolarHBondContact O-CB 3.46Å; P55-S59 PolarHBondContact O-N 3.4Å; P55-S59 PolarHBondContact O-OG 2.97Å; K56-S59 WeakPolarHBondContact O-CB 3.32Å; K56-S59 PolarHBondContact O-N 3.08Å; F57-S59 VanDerWaalsContact C-N 3.31Å; F57-S59 PolarHBondContact O-N 3.31Å; S59-E63 WeakPolarHBondContact O-CB 3.4Å; S59-E63 PolarHBondContact O-N 3.34Å; S59-E63 VanDerWaalsContact O-N 3.08Å; S59-V64 PolarHBondContact O-N 3.41Å
60I98.4Very high98.1Very high38 Ų3837.4 Ų37.420%0.19519%0.185CC..Iπ-helixtrans-65.1-52178.6-69.2171.5000110V45 K56 F57 S62 V64 E65V45-I60 HydrophobicContact CG2-CG1 4.06Å; K56-I60 HydrophobicContact CD-CD1 4.43Å; K56-I60 HydrophobicContact CG-CD1 3.86Å; K56-I60 HydrophobicContact CG-CG1 4.48Å; K56-I60 WeakPolarHBondContact O-CG1 3.48Å; K56-I60 PolarHBondContact O-N 3.16Å; F57-I60 PolarHBondContact O-N 2.76Å; I60-S62 PolarHBondContact O-N 2.81Å; I60-V64 WeakPolarHBondContact O-CB 3.45Å; I60-V64 PolarHBondContact O-N 3.49Å; I60-E65 HydrophobicContact CG2-CG 3.81Å; I60-E65 PolarHBondContact O-N 3.42Å
61L97.4Very high98.1Very high77 Ų7731.5 Ų31.540%0.40316%0.157SC..Iπ-helixtrans-62.9-48.2-174.8-179.263.5000112.5F57 E58F57-L61 HydrophobicContact CE1-CD2 3.94Å; F57-L61 WeakPolarHBondContact O-CB 3.41Å; F57-L61 PolarHBondContact O-N 2.91Å; E58-L61 PolarHBondContact O-N 3.18Å
62S97.1Very high98.1Very high13 Ų1334.6 Ų34.69%0.09117%0.171CC..Iπ-helixtrans-88.9-15.5-171.565.80000114.7E58 I60 I66 Q119E58-S62 VanDerWaalsContact O-CB 3.32Å; E58-S62 WeakPolarHBondContact O-CB 3.5Å; E58-S62 PolarHBondContact O-N 3.03Å; E58-S62 PolarHBondContact O-OG 3.3Å; I60-S62 PolarHBondContact O-N 2.81Å; S62-I66 WeakPolarHBondContact O-CG2 3.45Å; S62-Q119 WeakPolarHBondContact O-CG 3.18Å
63E98.4Very high98.1Very high0 Ų037.3 Ų37.30%018%0.183CC..Iπ-helixtrans-126.3-36.2-174.9-51.8-136.5-139.500114.5L48 K54 S59 V67 Y116 P117 L118 Q119L48-E63 HydrophobicContact CD1-CB 3.93Å; L48-E63 HydrophobicContact CD1-CG 3.93Å; L48-E63 WeakPolarHBondContact CD2-OE1 3.37Å; K54-E63 IonicContact NZ-OE1 3.63Å; K54-E63 PolarHBondContact NZ-OE1 3.29Å; S59-E63 WeakPolarHBondContact O-CB 3.4Å; S59-E63 PolarHBondContact O-N 3.34Å; S59-E63 VanDerWaalsContact O-N 3.08Å; E63-V67 WeakPolarHBondContact O-CB 3.5Å; E63-V67 WeakPolarHBondContact O-CG2 3.4Å; E63-Y116 HydrophobicContact CG-CD1 4.18Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.42Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.17Å; E63-P117 VanDerWaalsContact OE1-CD 3.31Å; E63-P117 WeakPolarHBondContact OE1-CD 3.29Å; E63-L118 HydrophobicContact CB-CB 4.4Å; E63-L118 WeakPolarHBondContact OE2-CA 3.46Å; E63-L118 WeakPolarHBondContact OE2-CB 3.18Å; E63-L118 PolarHBondContact OE2-N 2.91Å; E63-Q119 HydrophobicContact CG-CG 4.44Å; E63-Q119 PolarHBondContact OE2-N 3.37Å; E63-Q119 VanDerWaalsContact OE2-N 3.08Å
64V98.4Very high98.1Very high2 Ų236 Ų361%0.01217%0.173CC..Iπ-helixtrans-91.1-54-177.3-179.70000111V37 E41 I44 S59 I60 V67 T68V37-V64 HydrophobicContact CG1-CG1 3.83Å; E41-V64 HydrophobicContact CG-CG1 4.19Å; E41-V64 HydrophobicContact CG-CG2 4.27Å; I44-V64 HydrophobicContact CG2-CG2 4Å; S59-V64 PolarHBondContact O-N 3.41Å; I60-V64 WeakPolarHBondContact O-CB 3.45Å; I60-V64 PolarHBondContact O-N 3.49Å; V64-V67 PolarHBondContact O-N 3.49Å; V64-T68 VanDerWaalsContact O-CB 3.26Å; V64-T68 WeakPolarHBondContact O-CB 3.49Å; V64-T68 PolarHBondContact O-N 3.16Å; V64-T68 PolarHBondContact O-OG1 2.88Å
65E97.5Very high98.1Very high75 Ų7537.6 Ų37.635%0.3518%0.181SC..Iπ-helixtrans-69-43.1-175.2-77.8-61.3142.700112I60 V67 T68 N69I60-E65 HydrophobicContact CG2-CG 3.81Å; I60-E65 PolarHBondContact O-N 3.42Å; E65-V67 VanDerWaalsContact C-N 3.29Å; E65-V67 PolarHBondContact O-N 2.81Å; E65-T68 PolarHBondContact O-N 2.93Å; E65-N69 WeakPolarHBondContact O-CB 3.3Å; E65-N69 PolarHBondContact O-N 2.71Å; E65-N69 PolarHBondContact O-ND2 3.31Å
66I96.9Very high98.1Very high19 Ų1941.3 Ų41.310%0.09721%0.207CC..Hα-helixtrans-59.2-41.8177.5-164171.1000111.7S62 D70 Q119 L123 M397S62-I66 WeakPolarHBondContact O-CG2 3.45Å; I66-D70 PolarHBondContact O-N 2.97Å; I66-D70 VanDerWaalsContact O-N 3.09Å; I66-Q119 HydrophobicContact CG2-CB 3.9Å; I66-Q119 HydrophobicContact CG2-CG 4.41Å; I66-L123 HydrophobicContact CD1-CD1 4.4Å; I66-L123 HydrophobicContact CG1-CD1 4.44Å; I66-M397 HydrophobicContact CD1-CE 4.33Å
67V98Very high98.1Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-70.2-43.7177.9170.10000111V37 E63 V64 E65 N69 D70 L71 Q119 I122 L123V37-V67 HydrophobicContact CG2-CG1 3.87Å; E63-V67 WeakPolarHBondContact O-CB 3.5Å; E63-V67 WeakPolarHBondContact O-CG2 3.4Å; V64-V67 PolarHBondContact O-N 3.49Å; E65-V67 VanDerWaalsContact C-N 3.29Å; E65-V67 PolarHBondContact O-N 2.81Å; V67-N69 VanDerWaalsContact C-N 3.3Å; V67-N69 PolarHBondContact O-N 2.83Å; V67-D70 PolarHBondContact O-N 3.49Å; V67-L71 HydrophobicContact CG1-CD1 3.71Å; V67-L71 HydrophobicContact CG1-CG 4.4Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.41Å; V67-L71 PolarHBondContact O-N 2.99Å; V67-Q119 HydrophobicContact CG2-CB 3.66Å; V67-I122 HydrophobicContact CG1-CB 4.01Å; V67-I122 HydrophobicContact CG1-CG2 3.42Å; V67-I122 VanDerWaalsContact CG1-CG2 3.42Å; V67-I122 HydrophobicContact CG2-CB 4.16Å; V67-I122 HydrophobicContact CG2-CG2 4.44Å; V67-L123 HydrophobicContact CB-CD2 4.48Å; V67-L123 HydrophobicContact CG2-CD2 4.03Å; V67-L123 HydrophobicContact CG2-CG 4.17Å
68T98.3Very high98.1Very high9 Ų930.6 Ų30.66%0.05516%0.163CC..Hα-helixtrans-59.2-43.3177.6-67.30000111.2L34 V64 E65 L71 H72L34-T68 HydrophobicContact CD1-CG2 3.95Å; V64-T68 VanDerWaalsContact O-CB 3.26Å; V64-T68 WeakPolarHBondContact O-CB 3.49Å; V64-T68 PolarHBondContact O-N 3.16Å; V64-T68 PolarHBondContact O-OG1 2.88Å; E65-T68 PolarHBondContact O-N 2.93Å; T68-L71 PolarHBondContact O-N 2.9Å; T68-H72 PolarHBondContact O-CD2 3.34Å; T68-H72 PolarHBondContact O-N 2.97Å
69N97.3Very high98.1Very high84 Ų8431 Ų3145%0.44917%0.168SC..Hα-helixtrans-67.1-43.7178-71.7-36.6000112.3E65 V67 H72 H73E65-N69 WeakPolarHBondContact O-CB 3.3Å; E65-N69 PolarHBondContact O-N 2.71Å; E65-N69 PolarHBondContact O-ND2 3.31Å; V67-N69 VanDerWaalsContact C-N 3.3Å; V67-N69 PolarHBondContact O-N 2.83Å; N69-H72 PolarHBondContact O-N 2.86Å; N69-H73 WeakPolarHBondContact O-CB 3.29Å; N69-H73 PolarHBondContact O-N 2.93Å
70D97.7Very high98.1Very high6 Ų635.7 Ų35.73%0.03220%0.197CC..Hα-helixtrans-65.3-38.6176.2-168.566.6000112I66 V67 H73 A74 L123 V126 G417I66-D70 PolarHBondContact O-N 2.97Å; I66-D70 VanDerWaalsContact O-N 3.09Å; V67-D70 PolarHBondContact O-N 3.49Å; D70-H73 WeakPolarHBondContact O-CB 3.38Å; D70-H73 PolarHBondContact O-N 3.24Å; D70-A74 WeakPolarHBondContact O-CB 3.39Å; D70-A74 PolarHBondContact O-N 3.26Å; D70-L123 HydrophobicContact CB-CD2 3.45Å; D70-L123 VanDerWaalsContact CB-CD2 3.45Å; D70-V126 WeakPolarHBondContact OD2-CG1 3.36Å; D70-G417 WeakPolarHBondContact OD1-CA 3.49Å; D70-G417 PolarHBondContact OD1-N 2.9Å
71L98.5Very high98.1Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-62-47.6173-80.6164.3000112.2L30 L33 L34 V67 T68 H73 A74 I75 V126L30-L71 HydrophobicContact CD2-CD2 4.09Å; L33-L71 HydrophobicContact CB-CD2 4.07Å; L33-L71 HydrophobicContact CD2-CD2 4.08Å; L33-L71 HydrophobicContact CG-CD1 4.31Å; L33-L71 HydrophobicContact CG-CD2 4.09Å; L34-L71 HydrophobicContact CB-CB 4.42Å; L34-L71 HydrophobicContact CB-CD1 4.05Å; L34-L71 HydrophobicContact CD1-CB 4.13Å; L34-L71 HydrophobicContact CD1-CD1 4.1Å; V67-L71 HydrophobicContact CG1-CD1 3.71Å; V67-L71 HydrophobicContact CG1-CG 4.4Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.41Å; V67-L71 PolarHBondContact O-N 2.99Å; T68-L71 PolarHBondContact O-N 2.9Å; L71-H73 VanDerWaalsContact C-N 3.28Å; L71-H73 PolarHBondContact O-N 3.01Å; L71-A74 PolarHBondContact O-N 2.87Å; L71-I75 WeakPolarHBondContact O-CB 3.42Å; L71-I75 WeakPolarHBondContact O-CD1 3.42Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 2.73Å; L71-V126 HydrophobicContact CD2-CG1 4.33Å; L71-V126 HydrophobicContact CD2-CG2 3.52Å; L71-V126 HydrophobicContact CG-CG2 3.73Å
72H98.3Very high98.1Very high78 Ų7832.9 Ų32.936%0.36118%0.181SC..Hα-helixtrans-59.9-41.4175-83.9-59.3000111.5K38 T68 N69 S76K38-H72 PolarHBondContact NZ-NE2 3.48Å; K38-H72 VanDerWaalsContact NZ-NE2 3.18Å; T68-H72 PolarHBondContact O-CD2 3.34Å; T68-H72 PolarHBondContact O-N 2.97Å; N69-H72 PolarHBondContact O-N 2.86Å; H72-S76 VanDerWaalsContact O-CB 3.32Å; H72-S76 WeakPolarHBondContact O-CB 3.39Å; H72-S76 PolarHBondContact O-N 3.27Å; H72-S76 VanDerWaalsContact O-N 3.11Å; H72-S76 PolarHBondContact O-OG 2.61Å
73H98.4Very high98.1Very high59 Ų5937.5 Ų37.527%0.27320%0.201SC..Hα-helixtrans-61.8-47.6175.5-173.673.3000111.5N69 D70 L71 S76 N77 W81N69-H73 WeakPolarHBondContact O-CB 3.29Å; N69-H73 PolarHBondContact O-N 2.93Å; D70-H73 WeakPolarHBondContact O-CB 3.38Å; D70-H73 PolarHBondContact O-N 3.24Å; L71-H73 VanDerWaalsContact C-N 3.28Å; L71-H73 PolarHBondContact O-N 3.01Å; H73-S76 PolarHBondContact O-N 3.03Å; H73-N77 PolarHBondContact ND1-ND2 3.49Å; H73-N77 WeakPolarHBondContact O-CB 3.37Å; H73-N77 PolarHBondContact O-N 2.98Å; H73-N77 VanDerWaalsContact O-N 3.13Å; H73-N77 PolarHBondContact O-ND2 2.75Å; H73-W81 AromaticContact CD2-CH2 3.81Å; H73-W81 AromaticContact CD2-CZ2 3.68Å; H73-W81 AromaticContact NE2-CZ2 3.58Å
74A98.6Very high98Very high1 Ų140 Ų401%0.00822%0.217CC..Hα-helixtrans-64.6-47.4178.700000113L30 D70 L71 S76 N77 V78 W81 V126L30-A74 HydrophobicContact CD1-CB 4.24Å; D70-A74 WeakPolarHBondContact O-CB 3.39Å; D70-A74 PolarHBondContact O-N 3.26Å; L71-A74 PolarHBondContact O-N 2.87Å; A74-S76 VanDerWaalsContact C-N 3.26Å; A74-S76 PolarHBondContact O-N 2.92Å; A74-N77 PolarHBondContact O-N 2.81Å; A74-V78 VanDerWaalsContact O-CB 3.24Å; A74-V78 WeakPolarHBondContact O-CB 3.49Å; A74-V78 WeakPolarHBondContact O-CG1 3.41Å; A74-V78 PolarHBondContact O-N 3.28Å; A74-W81 VanDerWaalsContact CA-CH2 3.5Å; A74-W81 HydrophobicContact CB-CH2 4Å; A74-W81 HydrophobicContact CB-CZ3 3.86Å; A74-V126 HydrophobicContact CB-CG1 3.52Å
75I98.6Very high98Very high33 Ų3344.1 Ų44.117%0.16924%0.237CC..Hα-helixtrans-57.8-42.3178.8-69.6164.1000110.9L30 L34 L71L30-I75 HydrophobicContact CB-CD1 4.22Å; L30-I75 HydrophobicContact CB-CG1 3.64Å; L30-I75 HydrophobicContact CD1-CG1 4.34Å; L34-I75 HydrophobicContact CB-CD1 4.49Å; L34-I75 HydrophobicContact CD2-CD1 4.04Å; L71-I75 WeakPolarHBondContact O-CB 3.42Å; L71-I75 WeakPolarHBondContact O-CD1 3.42Å; L71-I75 WeakPolarHBondContact O-CG1 3.37Å; L71-I75 PolarHBondContact O-N 2.73Å
76S98.3Very high97.9Very high83 Ų8347.5 Ų47.558%0.5825%0.247SC*.Hα-helixtrans-69.8-32.5-178.4-57.30000112.7H72 H73 A74H72-S76 VanDerWaalsContact O-CB 3.32Å; H72-S76 WeakPolarHBondContact O-CB 3.39Å; H72-S76 PolarHBondContact O-N 3.27Å; H72-S76 VanDerWaalsContact O-N 3.11Å; H72-S76 PolarHBondContact O-OG 2.61Å; H73-S76 PolarHBondContact O-N 3.03Å; A74-S76 VanDerWaalsContact C-N 3.26Å; A74-S76 PolarHBondContact O-N 2.92Å
77N98.5Very high97.8Very high53 Ų5349.2 Ų49.228%0.28326%0.259SS..Hα-helixtrans-111.1-14.2-168.9-68.4-77.9000115.2H73 A74 A79 T80 W81H73-N77 PolarHBondContact ND1-ND2 3.49Å; H73-N77 WeakPolarHBondContact O-CB 3.37Å; H73-N77 PolarHBondContact O-N 2.98Å; H73-N77 VanDerWaalsContact O-N 3.13Å; H73-N77 PolarHBondContact O-ND2 2.75Å; A74-N77 PolarHBondContact O-N 2.81Å; N77-A79 PolarHBondContact O-N 2.99Å; N77-A79 VanDerWaalsContact O-N 3.11Å; N77-T80 WeakPolarHBondContact O-CA 3.18Å; N77-T80 WeakPolarHBondContact O-CB 3.3Å; N77-T80 PolarHBondContact O-N 3.07Å; N77-W81 HydrophobicContact CB-CD2 4.04Å; N77-W81 HydrophobicContact CB-CH2 4.23Å; N77-W81 HydrophobicContact CB-CZ2 3.45Å; N77-W81 VanDerWaalsContact CB-CZ2 3.45Å; N77-W81 PolarHBondContact O-N 3.45Å
78V98.5Very high97.5Very high0 Ų055.6 Ų55.60%030%0.3CS..Hα-helixtrans-56.8-33.7-174.562.10000113.1L23 R27 L30 A74 T80 W81 I82 A130L23-V78 HydrophobicContact CD1-CG1 3.78Å; L23-V78 HydrophobicContact CD1-CG2 4.29Å; R27-V78 HydrophobicContact CG-CG1 3.81Å; L30-V78 HydrophobicContact CD1-CG1 4.48Å; A74-V78 VanDerWaalsContact O-CB 3.24Å; A74-V78 WeakPolarHBondContact O-CB 3.49Å; A74-V78 WeakPolarHBondContact O-CG1 3.41Å; A74-V78 PolarHBondContact O-N 3.28Å; V78-T80 VanDerWaalsContact C-N 3.26Å; V78-T80 PolarHBondContact O-N 2.98Å; V78-W81 HydrophobicContact CB-CE3 4.31Å; V78-W81 PolarHBondContact O-N 2.8Å; V78-I82 HydrophobicContact CG2-CG2 4.32Å; V78-I82 WeakPolarHBondContact O-CG1 3.39Å; V78-I82 WeakPolarHBondContact O-CG2 3.28Å; V78-I82 PolarHBondContact O-N 2.9Å; V78-A130 HydrophobicContact CG2-CB 4.21Å
79A98.4Very high97.1Very high21 Ų2159.5 Ų59.517%0.17432%0.316CS..Hα-helixtrans-62.9-32.7176.100000113.1L23 N77 I82 Q83L23-A79 HydrophobicContact CD1-CB 4.13Å; L23-A79 HydrophobicContact CD2-CB 3.75Å; N77-A79 PolarHBondContact O-N 2.99Å; N77-A79 VanDerWaalsContact O-N 3.11Å; A79-I82 WeakPolarHBondContact O-CG1 3.44Å; A79-Q83 WeakPolarHBondContact O-CG 3.5Å; A79-Q83 PolarHBondContact O-NE2 3.4Å
80T98.3Very high96.6Very high98 Ų9858.5 Ų58.560%0.60131%0.311SS*.Hα-helixtrans-79-42.8175.6-55.10000110.8N77 V78 I82 Q83N77-T80 WeakPolarHBondContact O-CA 3.18Å; N77-T80 WeakPolarHBondContact O-CB 3.3Å; N77-T80 PolarHBondContact O-N 3.07Å; V78-T80 VanDerWaalsContact C-N 3.26Å; V78-T80 PolarHBondContact O-N 2.98Å; T80-I82 VanDerWaalsContact C-N 3.29Å; T80-I82 PolarHBondContact O-N 3.32Å; T80-Q83 WeakPolarHBondContact O-CB 3.49Å; T80-Q83 PolarHBondContact O-N 2.84Å; T80-Q83 VanDerWaalsContact O-N 3.13Å
81W98.3Very high96Very high16 Ų1661.9 Ų61.96%0.06133%0.328CS..Hα-helixtrans-62.3-33.5-177.1-61.6-18.3000113.7H73 A74 N77 V78 Q83 A130 R418 F421H73-W81 AromaticContact CD2-CH2 3.81Å; H73-W81 AromaticContact CD2-CZ2 3.68Å; H73-W81 AromaticContact NE2-CZ2 3.58Å; A74-W81 VanDerWaalsContact CA-CH2 3.5Å; A74-W81 HydrophobicContact CB-CH2 4Å; A74-W81 HydrophobicContact CB-CZ3 3.86Å; N77-W81 HydrophobicContact CB-CD2 4.04Å; N77-W81 HydrophobicContact CB-CH2 4.23Å; N77-W81 HydrophobicContact CB-CZ2 3.45Å; N77-W81 VanDerWaalsContact CB-CZ2 3.45Å; N77-W81 PolarHBondContact O-N 3.45Å; V78-W81 HydrophobicContact CB-CE3 4.31Å; V78-W81 PolarHBondContact O-N 2.8Å; W81-Q83 VanDerWaalsContact C-N 3.28Å; W81-Q83 PolarHBondContact O-N 2.73Å; W81-A130 HydrophobicContact CE3-CB 4.44Å; W81-A130 HydrophobicContact CZ3-CB 4.27Å; W81-R418 HydrophobicContact CZ2-CB 4.04Å; W81-F421 HydrophobicContact CB-CD1 3.8Å; W81-F421 HydrophobicContact CB-CD2 4.22Å; W81-F421 HydrophobicContact CB-CE1 3.69Å; W81-F421 HydrophobicContact CB-CE2 4.13Å; W81-F421 HydrophobicContact CB-CG 4.07Å; W81-F421 HydrophobicContact CB-CZ 3.87Å; W81-F421 HydrophobicContact CD2-CB 4.44Å; W81-F421 HydrophobicContact CD2-CG 4.43Å; W81-F421 HydrophobicContact CE3-CB 3.81Å; W81-F421 HydrophobicContact CE3-CD2 4.22Å; W81-F421 AromaticContact CE3-CG 3.99Å; W81-F421 HydrophobicContact CE3-CG 3.99Å; W81-F421 HydrophobicContact CG-CD1 4.38Å; W81-F421 HydrophobicContact CZ3-CB 4.19Å; W81-F421 VanDerWaalsContact O-CE1 3.23Å; W81-F421 WeakPolarHBondContact O-CE1 3.38Å; W81-F421 VanDerWaalsContact O-CZ 3.25Å; W81-F421 WeakPolarHBondContact O-CZ 3.21Å
82I97.4Very high95.3Very high41 Ų4163.9 Ų63.921%0.2135%0.345CS..THydrogen-bonded Turntrans-76.9-10.9178.764.9170.1000114L23 V78 A79 T80 F421L23-I82 HydrophobicContact CB-CD1 4.01Å; L23-I82 HydrophobicContact CD1-CD1 4.07Å; L23-I82 HydrophobicContact CD2-CD1 4.43Å; L23-I82 HydrophobicContact CG-CD1 4.39Å; V78-I82 HydrophobicContact CG2-CG2 4.32Å; V78-I82 WeakPolarHBondContact O-CG1 3.39Å; V78-I82 WeakPolarHBondContact O-CG2 3.28Å; V78-I82 PolarHBondContact O-N 2.9Å; A79-I82 WeakPolarHBondContact O-CG1 3.44Å; T80-I82 VanDerWaalsContact C-N 3.29Å; T80-I82 PolarHBondContact O-N 3.32Å; I82-F421 HydrophobicContact CG2-CE2 3.92Å; I82-F421 HydrophobicContact CG2-CZ 4.16Å
83Q97.5Very high94.8Very high109 Ų10961.2 Ų61.251%0.50933%0.334SS..SBendtrans-68.3147.4-177.1-63.1-55.6-42.900111.5A79 T80 W81 E85A79-Q83 WeakPolarHBondContact O-CG 3.5Å; A79-Q83 PolarHBondContact O-NE2 3.4Å; T80-Q83 WeakPolarHBondContact O-CB 3.49Å; T80-Q83 PolarHBondContact O-N 2.84Å; T80-Q83 VanDerWaalsContact O-N 3.13Å; W81-Q83 VanDerWaalsContact C-N 3.28Å; W81-Q83 PolarHBondContact O-N 2.73Å; Q83-E85 PolarHBondContact O-N 3.07Å
84P96.9Very high94.3Very high52 Ų5265 Ų6534%0.33835%0.35SS..  trans-56.9137.1168.4-2434.5000112Y86 F99P84-Y86 HydrophobicContact CB-CE2 4.29Å; P84-F99 HydrophobicContact CB-CB 4.24Å; P84-F99 HydrophobicContact CB-CD2 3.71Å; P84-F99 HydrophobicContact CB-CE2 4.33Å; P84-F99 HydrophobicContact CB-CG 4.12Å; P84-F99 HydrophobicContact CG-CD2 4.46Å
85E97.3Very high93.9Very high90 Ų9071.6 Ų71.642%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-103.2109172.7-178.7-175.5176.900109.6Q83 F99 V100 R102Q83-E85 PolarHBondContact O-N 3.07Å; E85-F99 CarbonylContact O-C 3.58Å; E85-F99 WeakPolarHBondContact O-CA 3.43Å; E85-F99 WeakPolarHBondContact O-CB 3.38Å; E85-V100 PolarHBondContact N-O 2.82Å; E85-V100 PolarHBondContact O-N 3.01Å; E85-R102 IonicContact OE2-CZ 2.75Å; E85-R102 IonicContact OE2-NH1 3.29Å; E85-R102 PolarHBondContact OE2-NH1 2.76Å; E85-R102 IonicContact OE2-NH2 3.76Å; E85-R102 PolarHBondContact OE2-NH2 2.92Å
86Y95.9Very high93.5Very high145 Ų14570.5 Ų70.557%0.56938%0.379SS*.EExtended strand (participates in β ladder)trans-73.7136.5177.2-73.5-95.1000110.9P84 D97 C98 F99P84-Y86 HydrophobicContact CB-CE2 4.29Å; Y86-D97 HydrophobicContact CE1-CB 4.29Å; Y86-C98 WeakPolarHBondContact CA-O 2.95Å; Y86-F99 HydrophobicContact CD1-CB 3.94Å; Y86-F99 HydrophobicContact CD1-CD1 4.42Å; Y86-F99 HydrophobicContact CD2-CB 4.34Å; Y86-F99 HydrophobicContact CE1-CB 4.15Å; Y86-F99 AromaticContact CE1-CD1 3.87Å; Y86-F99 HydrophobicContact CE1-CD1 3.87Å; Y86-F99 HydrophobicContact CE1-CG 4.37Å; Y86-F99 HydrophobicContact CG-CB 4.05Å
87V94.3Very high93.3Very high56 Ų5670.3 Ų70.334%0.33937%0.371SS..  trans-106.1154.6-174.4-61.60000111.9K89 C98 V100V87-K89 WeakPolarHBondContact O-CG 3.44Å; V87-C98 HydrophobicContact CG2-CB 3.7Å; V87-C98 PolarHBondContact N-O 3.49Å; V87-C98 VanDerWaalsContact N-O 3.08Å; V87-V100 HydrophobicContact CG1-CG2 4.01Å
88P92.3Very high93.2Very high133 Ų13368.2 Ų68.286%0.86436%0.361SS*.  trans-54.3142.6169.2-25.435.1000112.1
89K89.9Confident93.1Very high92 Ų9269.4 Ų69.440%0.437%0.366SS..  trans-121.6149.3-174.5-58.6-177.7-57.6-177.30110V87 T93 K94 D96 C98V87-K89 WeakPolarHBondContact O-CG 3.44Å; K89-T93 WeakPolarHBondContact CD-O 3.42Å; K89-K94 VanDerWaalsContact CE-O 3.3Å; K89-K94 WeakPolarHBondContact CE-O 3.12Å; K89-K94 PolarHBondContact NZ-O 3.02Å; K89-D96 WeakPolarHBondContact CD-O 3.36Å; K89-D96 PolarHBondContact NZ-O 3.13Å; K89-C98 HydrophobicContact CD-CB 4Å; K89-C98 HydrophobicContact CG-CB 4.06Å
90N86.3Confident93.1Very high62 Ų6269.8 Ų69.833%0.33237%0.366SS..  trans-89.8178.8169.165.432.2000110.7A92 T93 K94N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 3.31Å; N90-A92 WeakPolarHBondContact OD1-CA 3.44Å; N90-A92 WeakPolarHBondContact OD1-CB 3.32Å; N90-A92 PolarHBondContact OD1-N 3.19Å; N90-A92 VanDerWaalsContact OD1-N 3.08Å; N90-T93 PolarHBondContact N-OG1 3.39Å; N90-T93 CarbonylContact O-C 3.46Å; N90-T93 PolarHBondContact O-N 3.03Å; N90-T93 PolarHBondContact OD1-N 3.16Å; N90-T93 PolarHBondContact OD1-OG1 3Å; N90-K94 WeakPolarHBondContact O-CA 3.36Å; N90-K94 PolarHBondContact O-N 2.86Å
91L85.3Confident93.1Very high77 Ų7771.4 Ų71.440%0.40336%0.361SS..G310 helixtrans-63-36.2-177.8-173.559.9000112.1T93 K94 W458 T459L91-T93 PolarHBondContact O-N 2.85Å; L91-K94 HydrophobicContact CD1-CD 4.01Å; L91-K94 PolarHBondContact O-N 3.43Å; L91-W458 HydrophobicContact CD2-CE3 4.14Å; L91-W458 HydrophobicContact CD2-CH2 3.5Å; L91-W458 VanDerWaalsContact CD2-CH2 3.5Å; L91-W458 HydrophobicContact CD2-CZ2 4.19Å; L91-W458 HydrophobicContact CD2-CZ3 3.47Å; L91-W458 VanDerWaalsContact CD2-CZ3 3.47Å; L91-T459 HydrophobicContact CD2-CG2 4.17Å
92A83.6Confident93.1Very high43 Ų4371.6 Ų71.636%0.35536%0.362SS..G310 helixtrans-66.4-21.9178.400000114N90 R433 T459 T460N90-A92 VanDerWaalsContact C-N 3.28Å; N90-A92 PolarHBondContact O-N 3.31Å; N90-A92 WeakPolarHBondContact OD1-CA 3.44Å; N90-A92 WeakPolarHBondContact OD1-CB 3.32Å; N90-A92 PolarHBondContact OD1-N 3.19Å; N90-A92 VanDerWaalsContact OD1-N 3.08Å; A92-R433 PolarHBondContact O-NH2 3.08Å; A92-T459 PolarHBondContact N-O 3.39Å; A92-T460 HydrophobicContact CB-CG2 4.25Å
93T88.6Confident93.1Very high22 Ų2271.8 Ų71.814%0.13536%0.362CS..G310 helixtrans-118.113.6178.866.50000112.9K89 N90 L91 L95 D96 M431K89-T93 WeakPolarHBondContact CD-O 3.42Å; N90-T93 PolarHBondContact N-OG1 3.39Å; N90-T93 CarbonylContact O-C 3.46Å; N90-T93 PolarHBondContact O-N 3.03Å; N90-T93 PolarHBondContact OD1-N 3.16Å; N90-T93 PolarHBondContact OD1-OG1 3Å; L91-T93 PolarHBondContact O-N 2.85Å; T93-L95 PolarHBondContact O-N 3.23Å; T93-L95 VanDerWaalsContact O-N 3.16Å; T93-D96 VanDerWaalsContact CA-OD2 3.24Å; T93-D96 WeakPolarHBondContact CA-OD2 3.42Å; T93-D96 WeakPolarHBondContact CB-OD2 3.27Å; T93-D96 WeakPolarHBondContact O-CB 3.14Å; T93-D96 PolarHBondContact O-N 3.37Å; T93-M431 HydrophobicContact CG2-CE 3.62Å
94K87.6Confident93.2Very high138 Ų13867.6 Ų67.660%0.634%0.344SS*.THydrogen-bonded Turntrans-60.2-32.4-170.4-170.3169.8-176176.20113.4K89 N90 L91K89-K94 VanDerWaalsContact CE-O 3.3Å; K89-K94 WeakPolarHBondContact CE-O 3.12Å; K89-K94 PolarHBondContact NZ-O 3.02Å; N90-K94 WeakPolarHBondContact O-CA 3.36Å; N90-K94 PolarHBondContact O-N 2.86Å; L91-K94 HydrophobicContact CD1-CD 4.01Å; L91-K94 PolarHBondContact O-N 3.43Å
95L89.3Confident93.3Very high139 Ų13967.1 Ų67.173%0.72834%0.339SS*.THydrogen-bonded Turntrans-93.4-4.5-179.7-58.4177.7000113.5T93 L437T93-L95 PolarHBondContact O-N 3.23Å; T93-L95 VanDerWaalsContact O-N 3.16Å; L95-L437 HydrophobicContact CD1-CD1 3.35Å
96D91.1Very high93.3Very high10 Ų1062.9 Ų62.95%0.05332%0.319CS..SBendtrans-84.7150.2177.2-57.4-42.4000110.5K89 T93 C98 M431 R433K89-D96 WeakPolarHBondContact CD-O 3.36Å; K89-D96 PolarHBondContact NZ-O 3.13Å; T93-D96 VanDerWaalsContact CA-OD2 3.24Å; T93-D96 WeakPolarHBondContact CA-OD2 3.42Å; T93-D96 WeakPolarHBondContact CB-OD2 3.27Å; T93-D96 WeakPolarHBondContact O-CB 3.14Å; T93-D96 PolarHBondContact O-N 3.37Å; D96-C98 PolarHBondContact O-N 2.89Å; D96-M431 HydrophobicContact CB-CG 4Å; D96-R433 WeakPolarHBondContact OD1-CB 3.38Å; D96-R433 VanDerWaalsContact OD1-CG 3.25Å; D96-R433 WeakPolarHBondContact OD1-CG 3.21Å; D96-R433 IonicContact OD1-CZ 2.88Å; D96-R433 IonicContact OD1-NE 3.75Å; D96-R433 PolarHBondContact OD1-NE 3.34Å; D96-R433 IonicContact OD1-NH2 3.73Å; D96-R433 IonicContact OD2-CZ 3.42Å; D96-R433 IonicContact OD2-NE 2.72Å; D96-R433 PolarHBondContact OD2-NE 2.97Å; D96-R433 IonicContact OD2-NH2 3.43Å; D96-R433 PolarHBondContact OD2-NH2 3.47Å
97D94.1Very high93.5Very high79 Ų7956 Ų5642%0.42229%0.292SS..EExtended strand (participates in β ladder)trans-86.2105.3166.7-69.2-35.9000109.1Y86 F99 M431 L432Y86-D97 HydrophobicContact CE1-CB 4.29Å; D97-F99 HydrophobicContact CB-CD1 4.43Å; D97-F99 HydrophobicContact CB-CE1 4.46Å; D97-M431 CarbonylContact O-C 3.52Å; D97-M431 VanDerWaalsContact O-CA 3.31Å; D97-M431 WeakPolarHBondContact O-CA 3.38Å; D97-L432 HydrophobicContact CB-CB 4.15Å; D97-L432 PolarHBondContact N-O 3.13Å; D97-L432 PolarHBondContact O-N 3.03Å
98C96.2Very high93.7Very high9 Ų953.3 Ų53.36%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-108.9117.4179.1-59.40000109.8Y86 V87 K89 D96 C430Y86-C98 WeakPolarHBondContact CA-O 2.95Å; V87-C98 HydrophobicContact CG2-CB 3.7Å; V87-C98 PolarHBondContact N-O 3.49Å; V87-C98 VanDerWaalsContact N-O 3.08Å; K89-C98 HydrophobicContact CD-CB 4Å; K89-C98 HydrophobicContact CG-CB 4.06Å; D96-C98 PolarHBondContact O-N 2.89Å; C98-C430 WeakPolarHBondContact CA-O 3.48Å
99F97.4Very high94Very high25 Ų2547 Ų4711%0.1124%0.235CC..EExtended strand (participates in β ladder)trans-149.6160.5-179.759.8-91.2000112.5P84 E85 Y86 D97 R101 C430 L432P84-F99 HydrophobicContact CB-CB 4.24Å; P84-F99 HydrophobicContact CB-CD2 3.71Å; P84-F99 HydrophobicContact CB-CE2 4.33Å; P84-F99 HydrophobicContact CB-CG 4.12Å; P84-F99 HydrophobicContact CG-CD2 4.46Å; E85-F99 CarbonylContact O-C 3.58Å; E85-F99 WeakPolarHBondContact O-CA 3.43Å; E85-F99 WeakPolarHBondContact O-CB 3.38Å; Y86-F99 HydrophobicContact CD1-CB 3.94Å; Y86-F99 HydrophobicContact CD1-CD1 4.42Å; Y86-F99 HydrophobicContact CD2-CB 4.34Å; Y86-F99 HydrophobicContact CE1-CB 4.15Å; Y86-F99 AromaticContact CE1-CD1 3.87Å; Y86-F99 HydrophobicContact CE1-CD1 3.87Å; Y86-F99 HydrophobicContact CE1-CG 4.37Å; Y86-F99 HydrophobicContact CG-CB 4.05Å; D97-F99 HydrophobicContact CB-CD1 4.43Å; D97-F99 HydrophobicContact CB-CE1 4.46Å; F99-R101 HydrophobicContact CD2-CB 4.46Å; F99-R101 HydrophobicContact CE2-CB 4.32Å; F99-C430 HydrophobicContact CD1-CB 4.3Å; F99-C430 HydrophobicContact CD2-CB 3.79Å; F99-C430 HydrophobicContact CE1-CB 4.01Å; F99-C430 HydrophobicContact CE2-CB 3.48Å; F99-C430 VanDerWaalsContact CE2-CB 3.48Å; F99-C430 HydrophobicContact CG-CB 4.2Å; F99-C430 HydrophobicContact CZ-CB 3.6Å; F99-C430 PolarHBondContact N-O 3.05Å; F99-C430 WeakPolarHBondContact O-CB 3.42Å; F99-C430 PolarHBondContact O-N 3.39Å; F99-L432 HydrophobicContact CE1-CD1 3.82Å; F99-L432 HydrophobicContact CE1-CG 3.95Å; F99-L432 HydrophobicContact CZ-CD1 4.14Å; F99-L432 HydrophobicContact CZ-CG 4.38Å
100V98.1Very high94.5Very high30 Ų3042.6 Ų42.618%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-102.3121.7171.7179.90000109E85 V87 R102 R427 R428E85-V100 PolarHBondContact N-O 2.82Å; E85-V100 PolarHBondContact O-N 3.01Å; V87-V100 HydrophobicContact CG1-CG2 4.01Å; V100-R102 PolarHBondContact O-NH1 2.75Å; V100-R427 HydrophobicContact CG1-CB 3.75Å; V100-R427 HydrophobicContact CG1-CG 4.14Å; V100-R428 WeakPolarHBondContact CA-O 3.48Å
101R97.7Very high95.1Very high131 Ų13140.1 Ų40.149%0.49420%0.202SC..EExtended strand (participates in β ladder)trans-99.8137.4172.5-176.1178.4178.3176-0.2109.8F99 E103 R428F99-R101 HydrophobicContact CD2-CB 4.46Å; F99-R101 HydrophobicContact CE2-CB 4.32Å; R101-E103 HydrophobicContact CG-CG 4.1Å; R101-E103 IonicContact CZ-OE1 3.02Å; R101-E103 IonicContact NE-OE1 3.86Å; R101-E103 IonicContact NH1-OE1 3.33Å; R101-R428 HydrophobicContact CB-CB 4.5Å; R101-R428 PolarHBondContact N-O 3.2Å; R101-R428 PolarHBondContact O-N 2.98Å
102R98.3Very high95.7Very high21 Ų2136.6 Ų36.68%0.07919%0.185CC..EExtended strand (participates in β ladder)trans-92.5122.9170.4-7287.8173144.20.8110E85 V100 F421 E422 H426E85-R102 IonicContact OE2-CZ 2.75Å; E85-R102 IonicContact OE2-NH1 3.29Å; E85-R102 PolarHBondContact OE2-NH1 2.76Å; E85-R102 IonicContact OE2-NH2 3.76Å; E85-R102 PolarHBondContact OE2-NH2 2.92Å; V100-R102 PolarHBondContact O-NH1 2.75Å; R102-F421 HydrophobicContact CB-CE1 4.01Å; R102-F421 HydrophobicContact CB-CZ 3.75Å; R102-F421 HydrophobicContact CG-CE1 3.73Å; R102-F421 HydrophobicContact CG-CZ 4.01Å; R102-E422 IonicContact CZ-OE1 3.78Å; R102-E422 IonicContact NE-OE1 3.71Å; R102-E422 PolarHBondContact NE-OE1 3.19Å; R102-E422 VanDerWaalsContact NE-OE1 3.1Å; R102-E422 IonicContact NE-OE2 3.89Å; R102-E422 PolarHBondContact NE-OE2 2.79Å; R102-E422 IonicContact NH2-OE1 2.94Å; R102-E422 PolarHBondContact NH2-OE1 3.46Å; R102-E422 IonicContact NH2-OE2 3.98Å; R102-H426 WeakPolarHBondContact CA-O 3.44Å
103E97.9Very high96.4Very high44 Ų4435.1 Ų35.121%0.20617%0.171CC..EExtended strand (participates in β ladder)trans-119.9139.1177.9-62.3-178.5167.200109R101 S425 H426 R428R101-E103 HydrophobicContact CG-CG 4.1Å; R101-E103 IonicContact CZ-OE1 3.02Å; R101-E103 IonicContact NE-OE1 3.86Å; R101-E103 IonicContact NH1-OE1 3.33Å; E103-S425 CarbonylContact O-C 3.55Å; E103-S425 WeakPolarHBondContact O-CA 3.38Å; E103-H426 PolarHBondContact N-O 3.26Å; E103-H426 PolarHBondContact O-N 3.21Å; E103-R428 VanDerWaalsContact CD-CD 3.46Å; E103-R428 WeakPolarHBondContact OE1-CD 3.38Å; E103-R428 IonicContact OE1-CZ 2.95Å; E103-R428 IonicContact OE1-NE 2.73Å; E103-R428 IonicContact OE1-NH1 3.79Å; E103-R428 PolarHBondContact OE1-NH1 3.28Å; E103-R428 WeakPolarHBondContact OE2-CD 3.44Å; E103-R428 IonicContact OE2-NH1 3.7Å; E103-R428 PolarHBondContact OE2-NH1 2.91Å
104P98.8Very high96.9Very high21 Ų2135.8 Ų35.814%0.13617%0.172CC..EExtended strand (participates in β ladder)trans-60.6150.8174.924.5-32.1000111F15 L21 A131 G132F15-P104 HydrophobicContact CE2-CB 3.84Å; F15-P104 HydrophobicContact CE2-CG 3.74Å; F15-P104 HydrophobicContact CZ-CB 4.21Å; F15-P104 HydrophobicContact CZ-CG 3.96Å; L21-P104 HydrophobicContact CD2-CG 3.63Å; P104-A131 WeakPolarHBondContact CB-O 3.46Å; P104-G132 WeakPolarHBondContact CB-O 3.44Å
105L98.9Very high97.4Very high43 Ų4329.4 Ų29.423%0.22514%0.144CC..  trans-75.4-42.1178.7-61.5175.2000111.8N133 D182 H183 H426L105-N133 WeakPolarHBondContact CA-OD1 3.47Å; L105-N133 PolarHBondContact N-OD1 3.49Å; L105-D182 HydrophobicContact CB-CB 3.99Å; L105-D182 VanDerWaalsContact O-CB 3.3Å; L105-D182 WeakPolarHBondContact O-CB 3.46Å; L105-H183 HydrophobicContact CD1-CB 3.71Å; L105-H426 HydrophobicContact CD2-CB 3.91Å
106G98.8Very high97.8Very high0 Ų023.5 Ų23.50%011%0.112CC..SBendtrans143.9-117.2-178.400000113.5F15 N133 C134 D182F15-G106 VanDerWaalsContact CZ-CA 3.47Å; G106-N133 PolarHBondContact N-OD1 3.42Å; G106-N133 WeakPolarHBondContact O-CA 3.48Å; G106-N133 WeakPolarHBondContact O-CB 3.45Å; G106-N133 PolarHBondContact O-OD1 3.17Å; G106-C134 PolarHBondContact O-N 3.38Å; G106-D182 WeakPolarHBondContact CA-OD2 3.3Å
107V98.9Very high98.2Very high1 Ų123.2 Ų23.21%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-100.3115.7173.3-174.40000109.3L8 L11 R12 C134 F181 D182L8-V107 HydrophobicContact CD2-CG1 4.24Å; L11-V107 HydrophobicContact CB-CG1 4.21Å; L11-V107 HydrophobicContact CB-CG2 4.17Å; L11-V107 HydrophobicContact CD1-CG1 4.12Å; R12-V107 HydrophobicContact CB-CG2 4.47Å; R12-V107 HydrophobicContact CG-CG2 3.67Å; V107-C134 WeakPolarHBondContact CA-O 3.35Å; V107-C134 HydrophobicContact CG2-CB 4.19Å; V107-F181 HydrophobicContact CG1-CD1 4.18Å; V107-F181 HydrophobicContact CG1-CE1 4.38Å; V107-D182 PolarHBondContact N-OD2 2.95Å; V107-D182 PolarHBondContact O-N 3.01Å
108V98.9Very high98.4Very high0 Ų019.7 Ų19.70%09%0.092CC..EExtended strand (participates in β ladder)trans-100.5148.7179.4-52.80000111.2I110 A128 N133 C134 A135 V136 H183 F424V108-I110 HydrophobicContact CG2-CG1 4.5Å; V108-A128 HydrophobicContact CG2-CB 3.73Å; V108-N133 HydrophobicContact CG1-CB 3.98Å; V108-N133 HydrophobicContact CG2-CB 4.36Å; V108-C134 PolarHBondContact N-O 2.78Å; V108-A135 HydrophobicContact CG2-CB 3.73Å; V108-A135 CarbonylContact O-C 3.55Å; V108-A135 VanDerWaalsContact O-CA 3.32Å; V108-A135 WeakPolarHBondContact O-CA 3.29Å; V108-V136 PolarHBondContact O-N 3.48Å; V108-H183 CarbonylContact C-O 3.51Å; V108-H183 WeakPolarHBondContact CA-O 3.1Å; V108-H183 HydrophobicContact CB-CB 4.22Å; V108-H183 HydrophobicContact CG1-CB 3.76Å; V108-F424 HydrophobicContact CB-CD1 4.35Å; V108-F424 HydrophobicContact CB-CE1 4.41Å; V108-F424 HydrophobicContact CG1-CD1 3.98Å; V108-F424 HydrophobicContact CG2-CD1 4.46Å; V108-F424 HydrophobicContact CG2-CE1 4.43Å
109L98.9Very high98.5Very high0 Ų019.4 Ų19.40%09%0.09CC..EExtended strand (participates in β ladder)trans-105.5130.2170.6176.759.7000109.3I111 V136 K138 L176 L177 F181 H183 I184 F185L109-I111 HydrophobicContact CD1-CG1 4.23Å; L109-I111 HydrophobicContact CD2-CD1 3.87Å; L109-I111 HydrophobicContact CD2-CG1 4.02Å; L109-I111 HydrophobicContact CG-CD1 4.27Å; L109-I111 HydrophobicContact CG-CG1 3.86Å; L109-V136 HydrophobicContact CD1-CB 3.92Å; L109-V136 HydrophobicContact CD1-CG1 3.79Å; L109-K138 HydrophobicContact CD1-CB 4.45Å; L109-L176 HydrophobicContact CD1-CD2 3.61Å; L109-L176 HydrophobicContact CD1-CG 4.28Å; L109-L176 HydrophobicContact CD2-CD2 4.36Å; L109-L176 HydrophobicContact CD2-CG 4.4Å; L109-L177 HydrophobicContact CD2-CD2 3.81Å; L109-F181 HydrophobicContact CB-CB 4.46Å; L109-F181 HydrophobicContact CB-CD1 3.63Å; L109-F181 HydrophobicContact CB-CD2 4.03Å; L109-F181 HydrophobicContact CB-CE1 3.72Å; L109-F181 HydrophobicContact CB-CE2 4.14Å; L109-F181 HydrophobicContact CB-CG 3.77Å; L109-F181 HydrophobicContact CB-CZ 3.98Å; L109-F181 HydrophobicContact CD1-CE1 4.34Å; L109-F181 HydrophobicContact CD1-CZ 4.15Å; L109-F181 HydrophobicContact CD2-CD2 4.08Å; L109-F181 HydrophobicContact CD2-CE2 3.74Å; L109-F181 HydrophobicContact CD2-CZ 4.02Å; L109-F181 HydrophobicContact CG-CE1 4.43Å; L109-F181 HydrophobicContact CG-CE2 4.4Å; L109-F181 HydrophobicContact CG-CZ 4.27Å; L109-H183 PolarHBondContact N-O 2.83Å; L109-I184 HydrophobicContact CB-CG1 4.11Å; L109-I184 HydrophobicContact CB-CG2 4.41Å; L109-I184 HydrophobicContact CD2-CG1 4.32Å; L109-I184 HydrophobicContact CD2-CG2 4.2Å; L109-I184 HydrophobicContact CG-CG2 4.43Å; L109-I184 CarbonylContact O-C 3.53Å; L109-F185 PolarHBondContact O-N 2.86Å
110I98.9Very high98.6Very high0 Ų018.7 Ų18.70%09%0.087CC..EExtended strand (participates in β ladder)trans-117.4117.8174.2-62.8168.4000107.8V108 L121 P124 L125 A128 A135 V136 K138 F185V108-I110 HydrophobicContact CG2-CG1 4.5Å; I110-L121 HydrophobicContact CG2-CD2 4.36Å; I110-P124 HydrophobicContact CD1-CB 4.17Å; I110-P124 HydrophobicContact CD1-CG 4.48Å; I110-P124 HydrophobicContact CG1-CB 4.38Å; I110-P124 HydrophobicContact CG2-CB 4.19Å; I110-P124 HydrophobicContact CG2-CG 3.63Å; I110-L125 HydrophobicContact CD1-CB 3.92Å; I110-L125 HydrophobicContact CD1-CD1 4.25Å; I110-A128 HydrophobicContact CD1-CB 4.4Å; I110-A135 HydrophobicContact CD1-CB 4.43Å; I110-V136 PolarHBondContact N-O 3.31Å; I110-K138 PolarHBondContact O-N 2.88Å; I110-F185 WeakPolarHBondContact CA-O 3.49Å; I110-F185 HydrophobicContact CG1-CB 4.31Å
111I98.9Very high98.6Very high9 Ų917.2 Ų17.25%0.0468%0.078CC..EExtended strand (participates in β ladder)trans-111.8110177.4-53.4173.8000108.3L109 K138 T173 L177 I184 F185 Y186 T187 V196L109-I111 HydrophobicContact CD1-CG1 4.23Å; L109-I111 HydrophobicContact CD2-CD1 3.87Å; L109-I111 HydrophobicContact CD2-CG1 4.02Å; L109-I111 HydrophobicContact CG-CD1 4.27Å; L109-I111 HydrophobicContact CG-CG1 3.86Å; I111-K138 HydrophobicContact CG1-CB 4.29Å; I111-K138 HydrophobicContact CG2-CD 4.09Å; I111-T173 HydrophobicContact CD1-CG2 4.19Å; I111-L177 HydrophobicContact CD1-CD2 4.18Å; I111-I184 HydrophobicContact CD1-CG2 4.47Å; I111-F185 PolarHBondContact N-O 3.34Å; I111-Y186 HydrophobicContact CB-CD2 3.88Å; I111-Y186 HydrophobicContact CD1-CD2 4.24Å; I111-Y186 HydrophobicContact CG2-CD2 3.78Å; I111-Y186 HydrophobicContact CG2-CE2 4.16Å; I111-T187 PolarHBondContact O-N 3.3Å; I111-T187 VanDerWaalsContact O-N 3.14Å; I111-V196 HydrophobicContact CD1-CG2 4.48Å
112G98.4Very high98.6Very high4 Ų411 Ų114%0.0416%0.055CC..  trans-92.6153.3-178.800000113.2L121 K138G112-L121 VanDerWaalsContact CA-CD2 3.41Å; G112-K138 PolarHBondContact N-O 2.69Å
113P98.4Very high98.6Very high11 Ų1110.2 Ų10.27%0.0715%0.052CC..  trans-89.5-172.6175.139.9-30.9000110.3N115 L120 S140 T187P113-N115 WeakPolarHBondContact CG-OD1 3.5Å; P113-L120 VanDerWaalsContact CD-CB 3.49Å; P113-L120 HydrophobicContact CG-CB 3.94Å; P113-L120 HydrophobicContact CG-CD1 3.32Å; P113-L120 HydrophobicContact CG-CG 4.24Å; P113-S140 VanDerWaalsContact C-CB 3.5Å; P113-S140 WeakPolarHBondContact O-CB 3.41Å; P113-T187 HydrophobicContact CG-CG2 3.78Å
114W98.6Very high98.7Very high37 Ų378.1 Ų8.114%0.144%0.042CC..SBendtrans-100-18.5-174.151.2-100.4000115.1L52 P117 V142 S143 Q242 V286 H290 F338L52-W114 HydrophobicContact CD2-CE3 4.33Å; L52-W114 HydrophobicContact CD2-CZ3 4.35Å; W114-P117 VanDerWaalsContact O-CD 3.26Å; W114-P117 WeakPolarHBondContact O-CD 3.41Å; W114-V142 HydrophobicContact CB-CB 3.73Å; W114-V142 HydrophobicContact CB-CG1 3.85Å; W114-V142 HydrophobicContact CD2-CG1 4.34Å; W114-V142 HydrophobicContact CG-CB 4.01Å; W114-V142 HydrophobicContact CG-CG1 3.83Å; W114-S143 VanDerWaalsContact CA-OG 3.29Å; W114-S143 WeakPolarHBondContact CA-OG 3.33Å; W114-S143 VanDerWaalsContact CB-OG 3.23Å; W114-S143 WeakPolarHBondContact CB-OG 3.47Å; W114-S143 PolarHBondContact O-OG 3.34Å; W114-Q242 HydrophobicContact CH2-CB 4.07Å; W114-Q242 HydrophobicContact CH2-CG 4.12Å; W114-Q242 HydrophobicContact CZ3-CB 3.98Å; W114-Q242 HydrophobicContact CZ3-CG 4.19Å; W114-V286 HydrophobicContact CD2-CB 4.4Å; W114-V286 HydrophobicContact CD2-CG1 3.95Å; W114-V286 HydrophobicContact CD2-CG2 4.29Å; W114-V286 HydrophobicContact CE3-CB 3.63Å; W114-V286 HydrophobicContact CE3-CG1 3.57Å; W114-V286 HydrophobicContact CE3-CG2 3.69Å; W114-V286 HydrophobicContact CH2-CB 4.33Å; W114-V286 HydrophobicContact CH2-CG1 3.72Å; W114-V286 HydrophobicContact CZ2-CG1 4.1Å; W114-V286 HydrophobicContact CZ3-CB 3.6Å; W114-V286 HydrophobicContact CZ3-CG1 3.46Å; W114-V286 VanDerWaalsContact CZ3-CG1 3.46Å; W114-V286 HydrophobicContact CZ3-CG2 4.19Å; W114-H290 AromaticContact CE2-CD2 3.9Å; W114-H290 AromaticContact CE2-NE2 3.62Å; W114-H290 AromaticContact CH2-CD2 3.7Å; W114-H290 AromaticContact CZ2-CD2 3.3Å; W114-H290 WeakPolarHBondContact CZ2-CD2 3.42Å; W114-H290 AromaticContact CZ2-NE2 3.37Å; W114-H290 WeakPolarHBondContact CZ2-NE2 3.3Å; W114-H290 AromaticContact NE1-NE2 3.69Å; W114-F338 AromaticContact CH2-CD1 3.64Å; W114-F338 HydrophobicContact CH2-CD1 3.64Å; W114-F338 AromaticContact CH2-CE1 3.37Å; W114-F338 HydrophobicContact CH2-CE1 3.37Å; W114-F338 AromaticContact CZ2-CD1 3.88Å; W114-F338 HydrophobicContact CZ2-CD1 3.88Å; W114-F338 AromaticContact CZ2-CE1 3.57Å; W114-F338 HydrophobicContact CZ2-CE1 3.57Å; W114-F338 HydrophobicContact CZ3-CE1 4.13Å
115N98.6Very high98.7Very high3 Ų37.1 Ų7.12%0.0164%0.035CC..SBendtrans-79.9-32.7-167.863.3-45.7000114L52 K54 P113 N239 Q242 F338L52-N115 WeakPolarHBondContact CD1-O 3.33Å; K54-N115 PolarHBondContact NZ-O 2.85Å; P113-N115 WeakPolarHBondContact CG-OD1 3.5Å; N115-N239 PolarHBondContact O-ND2 2.77Å; N115-Q242 HydrophobicContact CB-CB 4.42Å; N115-Q242 VanDerWaalsContact CB-O 3.28Å; N115-Q242 WeakPolarHBondContact CB-O 3.44Å; N115-Q242 PolarHBondContact ND2-O 3.04Å; N115-F338 HydrophobicContact CB-CE1 3.99Å; N115-F338 HydrophobicContact CB-CZ 4.09Å; N115-F338 WeakPolarHBondContact ND2-CZ 3.39Å
116Y98.7Very high98.7Very high16 Ų165.1 Ų5.16%0.0633%0.025CC..SBendtrans-129.572.3164.4-59.6-88.1000108.3E63 L118 Q119 L120 F238 N239 S243E63-Y116 HydrophobicContact CG-CD1 4.18Å; E63-Y116 WeakPolarHBondContact OE1-CA 3.42Å; E63-Y116 WeakPolarHBondContact OE2-CA 3.17Å; Y116-L118 PolarHBondContact O-N 3.03Å; Y116-Q119 HydrophobicContact CG-CG 4.34Å; Y116-L120 HydrophobicContact CD2-CD1 4.21Å; Y116-L120 WeakPolarHBondContact O-CB 3.5Å; Y116-L120 PolarHBondContact O-N 2.91Å; Y116-F238 HydrophobicContact CE1-CD1 4.49Å; Y116-F238 AromaticContact CE1-CE1 3.95Å; Y116-F238 HydrophobicContact CE1-CE1 3.95Å; Y116-F238 WeakPolarHBondContact OH-CD1 3.24Å; Y116-N239 HydrophobicContact CE1-CB 4.3Å; Y116-N239 WeakPolarHBondContact OH-CB 3.41Å; Y116-S243 WeakPolarHBondContact CE2-OG 3.35Å; Y116-S243 PolarHBondContact OH-OG 3.2Å
117P98.6Very high98.7Very high4 Ų45.3 Ų5.33%0.0263%0.027CC..THydrogen-bonded Turntrans-70.8-13.7-160.428-33.2000113.5L48 E63 W114 L121 T146L48-P117 HydrophobicContact CD2-CG 3.56Å; E63-P117 VanDerWaalsContact OE1-CD 3.31Å; E63-P117 WeakPolarHBondContact OE1-CD 3.29Å; W114-P117 VanDerWaalsContact O-CD 3.26Å; W114-P117 WeakPolarHBondContact O-CD 3.41Å; P117-L121 WeakPolarHBondContact O-CD1 3.39Å; P117-T146 HydrophobicContact CB-CG2 3.81Å; P117-T146 HydrophobicContact CG-CG2 3.86Å
118L98.7Very high98.7Very high5 Ų55.3 Ų5.33%0.0263%0.027CC..THydrogen-bonded Turntrans-92-60.5171.5-175.872.4000110.8I44 E63 Y116 L120 L121 I122 T146 V150I44-L118 HydrophobicContact CB-CD2 4.46Å; I44-L118 HydrophobicContact CD1-CD2 3.8Å; I44-L118 HydrophobicContact CG1-CD2 4.07Å; I44-L118 HydrophobicContact CG2-CD2 3.57Å; E63-L118 HydrophobicContact CB-CB 4.4Å; E63-L118 WeakPolarHBondContact OE2-CA 3.46Å; E63-L118 WeakPolarHBondContact OE2-CB 3.18Å; E63-L118 PolarHBondContact OE2-N 2.91Å; Y116-L118 PolarHBondContact O-N 3.03Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 3.27Å; L118-L121 WeakPolarHBondContact O-CB 3.3Å; L118-L121 PolarHBondContact O-N 3.47Å; L118-I122 HydrophobicContact CD1-CD1 4.27Å; L118-I122 HydrophobicContact CD1-CG1 3.74Å; L118-I122 HydrophobicContact CG-CG1 4Å; L118-I122 WeakPolarHBondContact O-CG1 3.33Å; L118-I122 PolarHBondContact O-N 3.38Å; L118-T146 HydrophobicContact CB-CG2 4.42Å; L118-V150 HydrophobicContact CD1-CG2 4.06Å
119Q98.1Very high98.7Very high3 Ų35.3 Ų5.31%0.0143%0.027CC..Hα-helixtrans-63.1-35.4-168.967.8103.6-15.100113.5S62 E63 I66 V67 Y116 L121 I122 L123S62-Q119 WeakPolarHBondContact O-CG 3.18Å; E63-Q119 HydrophobicContact CG-CG 4.44Å; E63-Q119 PolarHBondContact OE2-N 3.37Å; E63-Q119 VanDerWaalsContact OE2-N 3.08Å; I66-Q119 HydrophobicContact CG2-CB 3.9Å; I66-Q119 HydrophobicContact CG2-CG 4.41Å; V67-Q119 HydrophobicContact CG2-CB 3.66Å; Y116-Q119 HydrophobicContact CG-CG 4.34Å; Q119-L121 PolarHBondContact O-N 3.4Å; Q119-I122 PolarHBondContact O-N 3.31Å; Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 WeakPolarHBondContact O-CG 3.35Å; Q119-L123 PolarHBondContact O-N 3.02Å
120L98.7Very high98.7Very high9 Ų95.3 Ų5.35%0.0473%0.027CC..Hα-helixtrans-74.7-8179.4-64.6172.3000113P113 Y116 L118 P124 T187P113-L120 VanDerWaalsContact CD-CB 3.49Å; P113-L120 HydrophobicContact CG-CB 3.94Å; P113-L120 HydrophobicContact CG-CD1 3.32Å; P113-L120 HydrophobicContact CG-CG 4.24Å; Y116-L120 HydrophobicContact CD2-CD1 4.21Å; Y116-L120 WeakPolarHBondContact O-CB 3.5Å; Y116-L120 PolarHBondContact O-N 2.91Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 3.27Å; L120-P124 VanDerWaalsContact O-CG 3.32Å; L120-P124 WeakPolarHBondContact O-CG 3.33Å; L120-T187 HydrophobicContact CD1-CG2 4.28Å; L120-T187 HydrophobicContact CD2-CG2 4.48Å
121L98.3Very high98.7Very high0 Ų05.3 Ų5.30%03%0.027CC..Hα-helixtrans-94.3-44.4165.2-68.1172.7000111.6I110 G112 P117 L118 Q119 P124 L125 I137 P139 V150I110-L121 HydrophobicContact CG2-CD2 4.36Å; G112-L121 VanDerWaalsContact CA-CD2 3.41Å; P117-L121 WeakPolarHBondContact O-CD1 3.39Å; L118-L121 WeakPolarHBondContact O-CB 3.3Å; L118-L121 PolarHBondContact O-N 3.47Å; Q119-L121 PolarHBondContact O-N 3.4Å; L121-P124 WeakPolarHBondContact O-CG 3.17Å; L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 PolarHBondContact O-N 2.86Å; L121-I137 HydrophobicContact CB-CG2 4.33Å; L121-I137 HydrophobicContact CD1-CG2 4.38Å; L121-I137 HydrophobicContact CD2-CG2 3.89Å; L121-I137 HydrophobicContact CG-CG2 4.45Å; L121-P139 HydrophobicContact CD1-CB 3.66Å; L121-V150 HydrophobicContact CD1-CG1 4.37Å; L121-V150 HydrophobicContact CD1-CG2 4.34Å
122I98.6Very high98.7Very high1 Ų14.9 Ų4.91%0.0053%0.025CC..Hα-helixtrans-78-42.4-169.5-55.3-53.2000111.8L33 V67 L118 Q119 L125 V126 I154L33-I122 HydrophobicContact CD1-CD1 4.33Å; L33-I122 HydrophobicContact CD1-CG2 4.07Å; L33-I122 HydrophobicContact CD2-CG2 3.92Å; L33-I122 HydrophobicContact CG-CG2 4.02Å; V67-I122 HydrophobicContact CG1-CB 4.01Å; V67-I122 HydrophobicContact CG1-CG2 3.42Å; V67-I122 VanDerWaalsContact CG1-CG2 3.42Å; V67-I122 HydrophobicContact CG2-CB 4.16Å; V67-I122 HydrophobicContact CG2-CG2 4.44Å; L118-I122 HydrophobicContact CD1-CD1 4.27Å; L118-I122 HydrophobicContact CD1-CG1 3.74Å; L118-I122 HydrophobicContact CG-CG1 4Å; L118-I122 WeakPolarHBondContact O-CG1 3.33Å; L118-I122 PolarHBondContact O-N 3.38Å; Q119-I122 PolarHBondContact O-N 3.31Å; I122-L125 HydrophobicContact CD1-CD2 4.39Å; I122-L125 CarbonylContact O-C 3.55Å; I122-L125 WeakPolarHBondContact O-CA 3.45Å; I122-L125 VanDerWaalsContact O-CB 3.31Å; I122-L125 WeakPolarHBondContact O-CB 3.44Å; I122-L125 PolarHBondContact O-N 2.76Å; I122-V126 HydrophobicContact CG2-CG2 4.33Å; I122-V126 WeakPolarHBondContact O-CG2 3.46Å; I122-V126 PolarHBondContact O-N 2.91Å; I122-I154 HydrophobicContact CD1-CD1 4.32Å
123L98.6Very high98.7Very high3 Ų34.7 Ų4.72%0.0162%0.023CC..Hα-helixtrans-57-48.7178.7-68.1-175.3000113.8I66 V67 D70 Q119 L125 V126 G127 Y415I66-L123 HydrophobicContact CD1-CD1 4.4Å; I66-L123 HydrophobicContact CG1-CD1 4.44Å; V67-L123 HydrophobicContact CB-CD2 4.48Å; V67-L123 HydrophobicContact CG2-CD2 4.03Å; V67-L123 HydrophobicContact CG2-CG 4.17Å; D70-L123 HydrophobicContact CB-CD2 3.45Å; D70-L123 VanDerWaalsContact CB-CD2 3.45Å; Q119-L123 WeakPolarHBondContact O-CB 3.48Å; Q119-L123 WeakPolarHBondContact O-CG 3.35Å; Q119-L123 PolarHBondContact O-N 3.02Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.12Å; L123-V126 WeakPolarHBondContact O-CB 3.4Å; L123-V126 PolarHBondContact O-N 3.18Å; L123-G127 PolarHBondContact O-N 3.44Å; L123-Y415 HydrophobicContact CB-CD2 4.39Å; L123-Y415 HydrophobicContact CB-CE2 3.71Å; L123-Y415 HydrophobicContact CD1-CE2 4.45Å
124P98.9Very high98.7Very high0 Ų04.1 Ų4.10%02%0.019CC..Hα-helixtrans-64.7-31.6172.923.5-31.8000112.5I110 L120 L121 G127 A128 F185 Y415 F424I110-P124 HydrophobicContact CD1-CB 4.17Å; I110-P124 HydrophobicContact CD1-CG 4.48Å; I110-P124 HydrophobicContact CG1-CB 4.38Å; I110-P124 HydrophobicContact CG2-CB 4.19Å; I110-P124 HydrophobicContact CG2-CG 3.63Å; L120-P124 VanDerWaalsContact O-CG 3.32Å; L120-P124 WeakPolarHBondContact O-CG 3.33Å; L121-P124 WeakPolarHBondContact O-CG 3.17Å; P124-G127 PolarHBondContact O-N 3.19Å; P124-A128 PolarHBondContact O-N 2.94Å; P124-F185 HydrophobicContact CB-CD1 3.74Å; P124-F185 HydrophobicContact CB-CD2 4.11Å; P124-F185 HydrophobicContact CB-CE1 3.73Å; P124-F185 HydrophobicContact CB-CE2 4.1Å; P124-F185 HydrophobicContact CB-CG 3.95Å; P124-F185 HydrophobicContact CB-CZ 3.92Å; P124-F185 HydrophobicContact CG-CD1 3.98Å; P124-F185 HydrophobicContact CG-CE1 3.82Å; P124-F185 HydrophobicContact CG-CZ 4.36Å; P124-Y415 HydrophobicContact CB-CD2 4.36Å; P124-F424 HydrophobicContact CB-CE2 4.21Å; P124-F424 HydrophobicContact CB-CZ 4.05Å; P124-F424 WeakPolarHBondContact O-CE2 3.27Å
125L98.9Very high98.7Very high0 Ų02.4 Ų2.40%01%0.013CC..Hα-helixtrans-64.9-38174.9-179.864.2000111.9L33 I110 L121 I122 L123 G127 A128 I129 A135 I137 I154 L158 Y163L33-L125 HydrophobicContact CD1-CD2 4.39Å; L33-L125 HydrophobicContact CD2-CD2 4.02Å; L33-L125 HydrophobicContact CD2-CG 4.18Å; I110-L125 HydrophobicContact CD1-CB 3.92Å; I110-L125 HydrophobicContact CD1-CD1 4.25Å; L121-L125 WeakPolarHBondContact O-CB 3.41Å; L121-L125 PolarHBondContact O-N 2.86Å; I122-L125 HydrophobicContact CD1-CD2 4.39Å; I122-L125 CarbonylContact O-C 3.55Å; I122-L125 WeakPolarHBondContact O-CA 3.45Å; I122-L125 VanDerWaalsContact O-CB 3.31Å; I122-L125 WeakPolarHBondContact O-CB 3.44Å; I122-L125 PolarHBondContact O-N 2.76Å; L123-L125 VanDerWaalsContact C-N 3.27Å; L123-L125 PolarHBondContact O-N 3.12Å; L125-G127 VanDerWaalsContact C-N 3.33Å; L125-G127 PolarHBondContact O-N 2.97Å; L125-A128 PolarHBondContact O-N 2.94Å; L125-I129 HydrophobicContact CD1-CD1 4.05Å; L125-I129 HydrophobicContact CD1-CG1 4.06Å; L125-I129 HydrophobicContact CD2-CD1 4.45Å; L125-I129 HydrophobicContact CG-CD1 3.84Å; L125-I129 HydrophobicContact CG-CG1 4.27Å; L125-I129 VanDerWaalsContact O-CG1 3.26Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 2.88Å; L125-A135 HydrophobicContact CD1-CB 3.76Å; L125-I137 HydrophobicContact CD1-CD1 4.13Å; L125-I137 HydrophobicContact CD1-CG1 4.23Å; L125-I137 HydrophobicContact CD2-CD1 3.74Å; L125-I137 HydrophobicContact CD2-CG1 4.26Å; L125-I154 HydrophobicContact CD2-CD1 4.23Å; L125-L158 HydrophobicContact CD2-CD1 4.12Å; L125-Y163 HydrophobicContact CD1-CD1 4.14Å
126V98.9Very high98.8Very high2 Ų22.2 Ų2.21%0.0121%0.012CC..Hα-helixtrans-55.5-50.2172.9175.20000110.3L30 L33 D70 L71 A74 I122 L123 A128 I129 A130L30-V126 HydrophobicContact CD2-CB 4.49Å; L30-V126 HydrophobicContact CD2-CG1 3.92Å; L33-V126 HydrophobicContact CD2-CG2 4.16Å; D70-V126 WeakPolarHBondContact OD2-CG1 3.36Å; L71-V126 HydrophobicContact CD2-CG1 4.33Å; L71-V126 HydrophobicContact CD2-CG2 3.52Å; L71-V126 HydrophobicContact CG-CG2 3.73Å; A74-V126 HydrophobicContact CB-CG1 3.52Å; I122-V126 HydrophobicContact CG2-CG2 4.33Å; I122-V126 WeakPolarHBondContact O-CG2 3.46Å; I122-V126 PolarHBondContact O-N 2.91Å; L123-V126 WeakPolarHBondContact O-CB 3.4Å; L123-V126 PolarHBondContact O-N 3.18Å; V126-A128 PolarHBondContact O-N 2.99Å; V126-I129 PolarHBondContact O-N 3.44Å; V126-A130 VanDerWaalsContact O-CB 3.28Å; V126-A130 WeakPolarHBondContact O-CB 3.03Å; V126-A130 PolarHBondContact O-N 2.86Å
127G98.8Very high98.8Very high4 Ų41.5 Ų1.54%0.0411%0.009CC..Hα-helixtrans-59.4-45.2176.500000112.8L123 P124 L125 A130 A131L123-G127 PolarHBondContact O-N 3.44Å; P124-G127 PolarHBondContact O-N 3.19Å; L125-G127 VanDerWaalsContact C-N 3.33Å; L125-G127 PolarHBondContact O-N 2.97Å; G127-A130 PolarHBondContact O-N 2.95Å; G127-A131 WeakPolarHBondContact O-CB 3.42Å; G127-A131 PolarHBondContact O-N 3.14Å
128A98.9Very high98.8Very high0 Ų01.6 Ų1.60%01%0.009CC..Hα-helixtrans-62.9-44.3-179.700000112.6V108 I110 P124 L125 V126 A131 G132 N133 F424V108-A128 HydrophobicContact CG2-CB 3.73Å; I110-A128 HydrophobicContact CD1-CB 4.4Å; P124-A128 PolarHBondContact O-N 2.94Å; L125-A128 PolarHBondContact O-N 2.94Å; V126-A128 PolarHBondContact O-N 2.99Å; A128-A131 PolarHBondContact O-N 3.5Å; A128-G132 PolarHBondContact O-N 3.25Å; A128-G132 VanDerWaalsContact O-N 3.14Å; A128-N133 HydrophobicContact CB-CB 4.47Å; A128-N133 WeakPolarHBondContact O-CB 3.43Å; A128-N133 PolarHBondContact O-N 3.24Å; A128-N133 PolarHBondContact O-ND2 3.07Å; A128-F424 HydrophobicContact CB-CD1 4.46Å; A128-F424 HydrophobicContact CB-CD2 4.08Å; A128-F424 HydrophobicContact CB-CE2 4.32Å; A128-F424 HydrophobicContact CB-CG 4.15Å; A128-F424 VanDerWaalsContact N-CD2 3.31Å
129I98.9Very high98.8Very high0 Ų01.5 Ų1.50%01%0.009CC..Hα-helixtrans-64.9-46.9175.9-65.5173000110.4Q29 L30 L33 L125 V126 A131 G132 L158 Y163Q29-I129 HydrophobicContact CB-CG2 3.73Å; L30-I129 HydrophobicContact CD2-CB 4.01Å; L30-I129 HydrophobicContact CD2-CG2 3.85Å; L30-I129 HydrophobicContact CG-CB 4.46Å; L30-I129 HydrophobicContact CG-CG2 3.75Å; L33-I129 HydrophobicContact CD2-CD1 3.82Å; L125-I129 HydrophobicContact CD1-CD1 4.05Å; L125-I129 HydrophobicContact CD1-CG1 4.06Å; L125-I129 HydrophobicContact CD2-CD1 4.45Å; L125-I129 HydrophobicContact CG-CD1 3.84Å; L125-I129 HydrophobicContact CG-CG1 4.27Å; L125-I129 VanDerWaalsContact O-CG1 3.26Å; L125-I129 WeakPolarHBondContact O-CG1 3.46Å; L125-I129 PolarHBondContact O-N 2.88Å; V126-I129 PolarHBondContact O-N 3.44Å; I129-A131 PolarHBondContact O-N 3.25Å; I129-G132 PolarHBondContact O-N 3.08Å; I129-L158 HydrophobicContact CD1-CD1 4.3Å; I129-Y163 HydrophobicContact CD1-CE1 4.23Å; I129-Y163 HydrophobicContact CG1-CD1 4.38Å; I129-Y163 HydrophobicContact CG1-CE1 3.56Å
130A98.9Very high98.8Very high0 Ų01.9 Ų1.90%01%0.012CC..Hα-helixtrans-60-37.3179.500000111.7R26 L30 V78 W81 V126 G127 G132 F421R26-A130 WeakPolarHBondContact CD-O 3.23Å; R26-A130 PolarHBondContact NH1-O 3.4Å; L30-A130 HydrophobicContact CD1-CB 4.36Å; V78-A130 HydrophobicContact CG2-CB 4.21Å; W81-A130 HydrophobicContact CE3-CB 4.44Å; W81-A130 HydrophobicContact CZ3-CB 4.27Å; V126-A130 VanDerWaalsContact O-CB 3.28Å; V126-A130 WeakPolarHBondContact O-CB 3.03Å; V126-A130 PolarHBondContact O-N 2.86Å; G127-A130 PolarHBondContact O-N 2.95Å; A130-G132 VanDerWaalsContact C-N 3.3Å; A130-G132 PolarHBondContact O-N 3.35Å; A130-F421 HydrophobicContact CB-CD2 4.21Å
131A98.9Very high98.7Very high0 Ų05.2 Ų5.20%03%0.027CC..Hα-helixtrans-73.4-19.3175.600000113.7R26 P104 G127 A128 I129 N133 F421 F424 S425R26-A131 PolarHBondContact NH1-O 3.11Å; P104-A131 WeakPolarHBondContact CB-O 3.46Å; G127-A131 WeakPolarHBondContact O-CB 3.42Å; G127-A131 PolarHBondContact O-N 3.14Å; A128-A131 PolarHBondContact O-N 3.5Å; I129-A131 PolarHBondContact O-N 3.25Å; A131-N133 VanDerWaalsContact CB-ND2 3.29Å; A131-N133 WeakPolarHBondContact CB-ND2 3.22Å; A131-F421 HydrophobicContact CB-CD2 4.06Å; A131-F421 HydrophobicContact CB-CE2 4.4Å; A131-F424 HydrophobicContact CB-CB 3.78Å; A131-F424 WeakPolarHBondContact CB-O 3.17Å; A131-S425 WeakPolarHBondContact CB-OG 3.3Å
132G98.8Very high98.7Very high0 Ų07.9 Ų7.90%04%0.043CC..THydrogen-bonded Turntrans95.426.8176.500000114.1T20 P104 A128 I129 A130T20-G132 WeakPolarHBondContact CB-O 3.49Å; T20-G132 PolarHBondContact OG1-O 3.42Å; P104-G132 WeakPolarHBondContact CB-O 3.44Å; A128-G132 PolarHBondContact O-N 3.25Å; A128-G132 VanDerWaalsContact O-N 3.14Å; I129-G132 PolarHBondContact O-N 3.08Å; A130-G132 VanDerWaalsContact C-N 3.3Å; A130-G132 PolarHBondContact O-N 3.35Å
133N98.9Very high98.7Very high0 Ų07.8 Ų7.80%04%0.043CC..  trans-90.7157179.4-60.4-81000111.8L105 G106 V108 A128 A131 Y163 F424L105-N133 WeakPolarHBondContact CA-OD1 3.47Å; L105-N133 PolarHBondContact N-OD1 3.49Å; G106-N133 PolarHBondContact N-OD1 3.42Å; G106-N133 WeakPolarHBondContact O-CA 3.48Å; G106-N133 WeakPolarHBondContact O-CB 3.45Å; G106-N133 PolarHBondContact O-OD1 3.17Å; V108-N133 HydrophobicContact CG1-CB 3.98Å; V108-N133 HydrophobicContact CG2-CB 4.36Å; A128-N133 HydrophobicContact CB-CB 4.47Å; A128-N133 WeakPolarHBondContact O-CB 3.43Å; A128-N133 PolarHBondContact O-N 3.24Å; A128-N133 PolarHBondContact O-ND2 3.07Å; A131-N133 VanDerWaalsContact CB-ND2 3.29Å; A131-N133 WeakPolarHBondContact CB-ND2 3.22Å; N133-Y163 WeakPolarHBondContact O-CE1 3.39Å; N133-F424 WeakPolarHBondContact ND2-CB 3.44Å; N133-F424 PolarHBondContact ND2-O 2.88Å
134C98.9Very high98.6Very high0 Ų010.8 Ų10.80%06%0.064CC..EExtended strand (participates in β ladder)trans-84.4154.5156.7-66.10000109.1L11 F15 G106 V107 V108 C162L11-C134 HydrophobicContact CB-CB 4.26Å; F15-C134 HydrophobicContact CB-CB 4.48Å; G106-C134 PolarHBondContact O-N 3.38Å; V107-C134 WeakPolarHBondContact CA-O 3.35Å; V107-C134 HydrophobicContact CG2-CB 4.19Å; V108-C134 PolarHBondContact N-O 2.78Å; C134-C162 CarbonylContact C-O 3.52Å; C134-C162 WeakPolarHBondContact CA-O 3.29Å; C134-C162 WeakPolarHBondContact CB-O 3.49Å
135A98.9Very high98.6Very high0 Ų011.5 Ų11.50%07%0.07CC..EExtended strand (participates in β ladder)trans-139.2140.7-17700000114V108 I110 L125 C162 Y163 A164V108-A135 HydrophobicContact CG2-CB 3.73Å; V108-A135 CarbonylContact O-C 3.55Å; V108-A135 VanDerWaalsContact O-CA 3.32Å; V108-A135 WeakPolarHBondContact O-CA 3.29Å; I110-A135 HydrophobicContact CD1-CB 4.43Å; L125-A135 HydrophobicContact CD1-CB 3.76Å; A135-C162 PolarHBondContact N-O 3.45Å; A135-Y163 HydrophobicContact CB-CD1 4.07Å; A135-Y163 WeakPolarHBondContact O-CA 3.23Å; A135-A164 PolarHBondContact O-N 3.49Å
136V98.9Very high98.6Very high0 Ų011.7 Ų11.70%07%0.071CC..EExtended strand (participates in β ladder)trans-98.3127.3160.2178.30000108.3L8 L11 V108 L109 I110 A164 V166 L176 F181L8-V136 HydrophobicContact CD2-CG2 3.8Å; L11-V136 HydrophobicContact CD1-CG2 3.46Å; L11-V136 VanDerWaalsContact CD1-CG2 3.46Å; V108-V136 PolarHBondContact O-N 3.48Å; L109-V136 HydrophobicContact CD1-CB 3.92Å; L109-V136 HydrophobicContact CD1-CG1 3.79Å; I110-V136 PolarHBondContact N-O 3.31Å; V136-A164 CarbonylContact C-O 3.59Å; V136-A164 WeakPolarHBondContact CA-O 3.41Å; V136-V166 HydrophobicContact CG1-CB 4Å; V136-V166 HydrophobicContact CG1-CG2 3.64Å; V136-L176 HydrophobicContact CG1-CD1 4.45Å; V136-L176 HydrophobicContact CG1-CD2 4.15Å; V136-F181 HydrophobicContact CB-CE1 4.11Å; V136-F181 HydrophobicContact CG2-CE1 3.88Å
137I98.8Very high98.6Very high0 Ų012 Ų120%07%0.073CC..EExtended strand (participates in β ladder)trans-108.6119.1-179.4-56141.3000107.5L121 L125 P139 V150 I154 A164 V165 V166L121-I137 HydrophobicContact CB-CG2 4.33Å; L121-I137 HydrophobicContact CD1-CG2 4.38Å; L121-I137 HydrophobicContact CD2-CG2 3.89Å; L121-I137 HydrophobicContact CG-CG2 4.45Å; L125-I137 HydrophobicContact CD1-CD1 4.13Å; L125-I137 HydrophobicContact CD1-CG1 4.23Å; L125-I137 HydrophobicContact CD2-CD1 3.74Å; L125-I137 HydrophobicContact CD2-CG1 4.26Å; I137-P139 WeakPolarHBondContact O-CD 3.3Å; I137-V150 HydrophobicContact CG2-CG1 4.48Å; I137-I154 HydrophobicContact CD1-CD1 4.38Å; I137-I154 HydrophobicContact CD1-CG1 4.47Å; I137-I154 HydrophobicContact CD1-CG2 3.99Å; I137-A164 PolarHBondContact N-O 3.28Å; I137-V165 HydrophobicContact CB-CG2 4.39Å; I137-V165 HydrophobicContact CD1-CG2 4.41Å; I137-V165 CarbonylContact O-C 3.43Å; I137-V165 VanDerWaalsContact O-CA 3.32Å; I137-V165 WeakPolarHBondContact O-CA 3.15Å; I137-V166 PolarHBondContact O-N 3.21Å
138K98.6Very high98.6Very high7 Ų714.5 Ų14.53%0.039%0.089CC..EExtended strand (participates in β ladder)trans-112.394.2178.6-163.7-84.5155.1179.90109.1L109 I110 I111 G112 E141 V166 G168 T173 L176L109-K138 HydrophobicContact CD1-CB 4.45Å; I110-K138 PolarHBondContact O-N 2.88Å; I111-K138 HydrophobicContact CG1-CB 4.29Å; I111-K138 HydrophobicContact CG2-CD 4.09Å; G112-K138 PolarHBondContact N-O 2.69Å; K138-E141 IonicContact NZ-OE2 3.62Å; K138-E141 PolarHBondContact NZ-OE2 3.1Å; K138-V166 WeakPolarHBondContact CA-O 3.31Å; K138-V166 WeakPolarHBondContact CG-O 3.41Å; K138-G168 WeakPolarHBondContact CE-O 3.45Å; K138-G168 PolarHBondContact NZ-O 3.41Å; K138-T173 WeakPolarHBondContact CE-OG1 3.37Å; K138-T173 PolarHBondContact NZ-OG1 2.92Å; K138-L176 HydrophobicContact CB-CD2 4.34Å; K138-L176 HydrophobicContact CG-CD2 4.23Å
139P98.6Very high98.6Very high3 Ų315.2 Ų15.22%0.0199%0.093CC..  trans-65.2157.7171.527.6-36.2000112.2L121 I137 D147 V165L121-P139 HydrophobicContact CD1-CB 3.66Å; I137-P139 WeakPolarHBondContact O-CD 3.3Å; P139-D147 HydrophobicContact CB-CB 4.05Å; P139-D147 HydrophobicContact CG-CB 4.21Å; P139-D147 WeakPolarHBondContact CG-OD1 3.23Å; P139-V165 HydrophobicContact CG-CG1 3.99Å
140S98.3Very high98.6Very high11 Ų1115.5 Ų15.58%0.0779%0.094CC..  trans-78.6127.4174.6-178.50000111P113 V142 S143P113-S140 VanDerWaalsContact C-CB 3.5Å; P113-S140 WeakPolarHBondContact O-CB 3.41Å; S140-V142 PolarHBondContact O-N 2.89Å; S140-V142 PolarHBondContact OG-N 2.86Å; S140-S143 PolarHBondContact O-N 3.33Å
141E96.9Very high98.6Very high78 Ų7816.7 Ų16.736%0.36410%0.104SC..THydrogen-bonded Turntrans-64.6-17.7175.369.2-81.7-163.500113.5K138 S143 G169K138-E141 IonicContact NZ-OE2 3.62Å; K138-E141 PolarHBondContact NZ-OE2 3.1Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-G169 VanDerWaalsContact CD-CA 3.47Å; E141-G169 WeakPolarHBondContact OE1-CA 3.11Å
142V98.3Very high98.6Very high56 Ų5621.4 Ų21.434%0.33913%0.126SC..THydrogen-bonded Turntrans-70.9-32.5178.8176.50000111.1W114 S140 S144 V286W114-V142 HydrophobicContact CB-CB 3.73Å; W114-V142 HydrophobicContact CB-CG1 3.85Å; W114-V142 HydrophobicContact CD2-CG1 4.34Å; W114-V142 HydrophobicContact CG-CB 4.01Å; W114-V142 HydrophobicContact CG-CG1 3.83Å; S140-V142 PolarHBondContact O-N 2.89Å; S140-V142 PolarHBondContact OG-N 2.86Å; V142-S144 PolarHBondContact O-N 2.99Å; V142-V286 HydrophobicContact CG1-CB 4.49Å; V142-V286 HydrophobicContact CG1-CG1 4Å; V142-V286 HydrophobicContact CG1-CG2 3.65Å
143S98.4Very high98.5Very high0 Ų021.7 Ų21.70%013%0.128CC..SBendtrans-100.367.8173.4-59.80000109.2D51 W114 S140 E141 A145 T146 D147D51-S143 VanDerWaalsContact CG-CA 3.44Å; D51-S143 WeakPolarHBondContact OD1-CA 3.21Å; D51-S143 VanDerWaalsContact OD2-C 3.23Å; D51-S143 WeakPolarHBondContact OD2-CA 3.44Å; D51-S143 WeakPolarHBondContact OD2-CB 3.49Å; W114-S143 VanDerWaalsContact CA-OG 3.29Å; W114-S143 WeakPolarHBondContact CA-OG 3.33Å; W114-S143 VanDerWaalsContact CB-OG 3.23Å; W114-S143 WeakPolarHBondContact CB-OG 3.47Å; W114-S143 PolarHBondContact O-OG 3.34Å; S140-S143 PolarHBondContact O-N 3.33Å; E141-S143 VanDerWaalsContact C-N 3.34Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 2.79Å; S143-T146 PolarHBondContact O-N 2.84Å; S143-D147 WeakPolarHBondContact O-CB 3.45Å; S143-D147 PolarHBondContact O-N 3.39Å
144S98.1Very high98.5Very high66 Ų6621.8 Ų21.846%0.46213%0.128SC..Hα-helixtrans-61.2-33.7-166.466.70000114.2D51 V142 C148D51-S144 PolarHBondContact OD1-N 2.89Å; V142-S144 PolarHBondContact O-N 2.99Å; S144-C148 PolarHBondContact O-N 2.86Å; S144-C148 PolarHBondContact O-SG 3.42Å
145A98.8Very high98.5Very high15 Ų1523.9 Ų23.912%0.12414%0.142CC..Hα-helixtrans-70.4-43.3178.700000110.4A47 Q50 D51 S143 C148 L149A47-A145 HydrophobicContact CB-CB 4.01Å; Q50-A145 HydrophobicContact CB-CB 3.91Å; D51-A145 WeakPolarHBondContact OD1-CB 3.48Å; D51-A145 PolarHBondContact OD1-N 2.98Å; D51-A145 PolarHBondContact OD2-N 3.5Å; S143-A145 VanDerWaalsContact C-N 3.32Å; S143-A145 PolarHBondContact O-N 2.79Å; A145-C148 PolarHBondContact O-N 3.43Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 PolarHBondContact O-N 3.08Å
146T98.8Very high98.5Very high4 Ų430.2 Ų30.23%0.02517%0.169CC..Hα-helixtrans-68.4-39.8176.5-52.60000111.8D51 P117 L118 S143 L149 V150D51-T146 WeakPolarHBondContact OD2-CB 3.42Å; D51-T146 PolarHBondContact OD2-N 3.1Å; D51-T146 PolarHBondContact OD2-OG1 2.97Å; P117-T146 HydrophobicContact CB-CG2 3.81Å; P117-T146 HydrophobicContact CG-CG2 3.86Å; L118-T146 HydrophobicContact CB-CG2 4.42Å; S143-T146 PolarHBondContact O-N 2.84Å; T146-L149 PolarHBondContact O-N 3.08Å; T146-V150 HydrophobicContact CG2-CG2 4.19Å; T146-V150 WeakPolarHBondContact O-CB 3.31Å; T146-V150 VanDerWaalsContact O-CG2 3.32Å; T146-V150 WeakPolarHBondContact O-CG2 3.48Å; T146-V150 PolarHBondContact O-N 3.14Å
147D98.4Very high98.5Very high8 Ų832.4 Ų32.44%0.04318%0.178CC..Hα-helixtrans-55.3-51171.8165.833.7000111.6P139 S143 L149 V150 A151 R167P139-D147 HydrophobicContact CB-CB 4.05Å; P139-D147 HydrophobicContact CG-CB 4.21Å; P139-D147 WeakPolarHBondContact CG-OD1 3.23Å; S143-D147 WeakPolarHBondContact O-CB 3.45Å; S143-D147 PolarHBondContact O-N 3.39Å; D147-L149 VanDerWaalsContact C-N 3.34Å; D147-L149 PolarHBondContact O-N 3.1Å; D147-V150 PolarHBondContact O-N 2.71Å; D147-A151 WeakPolarHBondContact O-CB 3.42Å; D147-A151 PolarHBondContact O-N 3Å; D147-A151 VanDerWaalsContact O-N 3.08Å; D147-R167 VanDerWaalsContact OD1-CG 3.28Å; D147-R167 WeakPolarHBondContact OD1-CG 3.45Å; D147-R167 IonicContact OD1-CZ 2.81Å; D147-R167 IonicContact OD1-NE 3.71Å; D147-R167 PolarHBondContact OD1-NE 3.47Å; D147-R167 IonicContact OD1-NH2 3.93Å; D147-R167 IonicContact OD2-CZ 2.91Å; D147-R167 VanDerWaalsContact OD2-CZ 3.27Å; D147-R167 IonicContact OD2-NE 3.97Å; D147-R167 PolarHBondContact OD2-NE 2.94Å; D147-R167 IonicContact OD2-NH2 3.9Å; D147-R167 PolarHBondContact OD2-NH2 2.74Å
148C98.7Very high98.5Very high57 Ų5732.8 Ų32.839%0.38518%0.18SC..Hα-helixtrans-57.1-47.4175.6-68.80000112S144 A145 A151 E152 R167S144-C148 PolarHBondContact O-N 2.86Å; S144-C148 PolarHBondContact O-SG 3.42Å; A145-C148 PolarHBondContact O-N 3.43Å; C148-A151 PolarHBondContact O-N 3.03Å; C148-E152 WeakPolarHBondContact O-CB 3.32Å; C148-E152 PolarHBondContact O-N 3.4Å; C148-R167 PolarHBondContact SG-NH2 3.46Å
149L98.8Very high98.5Very high15 Ų1533.5 Ų33.58%0.07919%0.186CC..Hα-helixtrans-63.7-46-177.3-175.667.3000111.9Q43 I44 A47 A145 T146 D147 A151 E152 L153Q43-L149 HydrophobicContact CB-CD1 4.04Å; Q43-L149 HydrophobicContact CB-CD2 4.31Å; I44-L149 HydrophobicContact CB-CD2 4.44Å; I44-L149 HydrophobicContact CG1-CD2 3.9Å; A47-L149 HydrophobicContact CB-CD2 3.96Å; A145-L149 WeakPolarHBondContact O-CB 3.43Å; A145-L149 PolarHBondContact O-N 3.08Å; T146-L149 PolarHBondContact O-N 3.08Å; D147-L149 VanDerWaalsContact C-N 3.34Å; D147-L149 PolarHBondContact O-N 3.1Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.03Å; L149-E152 PolarHBondContact O-N 3.37Å; L149-L153 HydrophobicContact CD1-CD1 3.73Å; L149-L153 HydrophobicContact CD1-CG 3.96Å; L149-L153 HydrophobicContact CD2-CD1 4.37Å; L149-L153 HydrophobicContact CG-CD1 3.78Å; L149-L153 HydrophobicContact CG-CG 4.24Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 3.19Å
150V98.7Very high98.4Very high6 Ų638.6 Ų38.64%0.03621%0.209CC..Hα-helixtrans-61.6-43.6178.6169.10000110.8L118 L121 I137 T146 D147 E152 L153 I154 V165L118-V150 HydrophobicContact CD1-CG2 4.06Å; L121-V150 HydrophobicContact CD1-CG1 4.37Å; L121-V150 HydrophobicContact CD1-CG2 4.34Å; I137-V150 HydrophobicContact CG2-CG1 4.48Å; T146-V150 HydrophobicContact CG2-CG2 4.19Å; T146-V150 WeakPolarHBondContact O-CB 3.31Å; T146-V150 VanDerWaalsContact O-CG2 3.32Å; T146-V150 WeakPolarHBondContact O-CG2 3.48Å; T146-V150 PolarHBondContact O-N 3.14Å; D147-V150 PolarHBondContact O-N 2.71Å; V150-E152 VanDerWaalsContact C-N 3.27Å; V150-E152 PolarHBondContact O-N 3.2Å; V150-L153 PolarHBondContact O-N 3.04Å; V150-I154 HydrophobicContact CG1-CG1 3.86Å; V150-I154 WeakPolarHBondContact O-CB 3.31Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.4Å; V150-I154 PolarHBondContact O-N 3.38Å; V150-V165 HydrophobicContact CG1-CG2 4.2Å
151A98.4Very high98.4Very high25 Ų2542.3 Ų42.321%0.20723%0.228CC..Hα-helixtrans-64.4-31.4177.500000113.3D147 C148 L149 P155 V165 R167D147-A151 WeakPolarHBondContact O-CB 3.42Å; D147-A151 PolarHBondContact O-N 3Å; D147-A151 VanDerWaalsContact O-N 3.08Å; C148-A151 PolarHBondContact O-N 3.03Å; L149-A151 VanDerWaalsContact C-N 3.33Å; L149-A151 PolarHBondContact O-N 3.03Å; A151-P155 VanDerWaalsContact O-CD 3.22Å; A151-P155 WeakPolarHBondContact O-CD 3.37Å; A151-P155 WeakPolarHBondContact O-CG 3.26Å; A151-V165 HydrophobicContact CB-CB 4.39Å; A151-V165 HydrophobicContact CB-CG1 3.88Å; A151-R167 HydrophobicContact CB-CG 3.97Å
152E98.6Very high98.5Very high99 Ų9938.6 Ų38.646%0.46321%0.211SC..Hα-helixtrans-75.1-45.1175-178.1-177.5164.600112.3C148 L149 V150 K156C148-E152 WeakPolarHBondContact O-CB 3.32Å; C148-E152 PolarHBondContact O-N 3.4Å; L149-E152 PolarHBondContact O-N 3.37Å; V150-E152 VanDerWaalsContact C-N 3.27Å; V150-E152 PolarHBondContact O-N 3.2Å; E152-K156 WeakPolarHBondContact O-CE 3.47Å; E152-K156 WeakPolarHBondContact O-CG 3.27Å; E152-K156 IonicContact OE1-NZ 3.56Å; E152-K156 PolarHBondContact OE1-NZ 3.27Å
153L98.7Very high98.5Very high6 Ų636.2 Ų36.23%0.03120%0.196CC..Hα-helixtrans-82.3-42.5-169.3-66.6-177000113.3L36 N40 L149 V150 K156 Y157L36-L153 HydrophobicContact CD1-CB 3.83Å; L36-L153 HydrophobicContact CD2-CB 4.46Å; L36-L153 HydrophobicContact CD2-CD1 4.36Å; L36-L153 HydrophobicContact CG-CB 4.07Å; L36-L153 HydrophobicContact CG-CD1 4.46Å; N40-L153 HydrophobicContact CB-CD1 3.7Å; L149-L153 HydrophobicContact CD1-CD1 3.73Å; L149-L153 HydrophobicContact CD1-CG 3.96Å; L149-L153 HydrophobicContact CD2-CD1 4.37Å; L149-L153 HydrophobicContact CG-CD1 3.78Å; L149-L153 HydrophobicContact CG-CG 4.24Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.39Å; L149-L153 PolarHBondContact O-N 3.19Å; V150-L153 PolarHBondContact O-N 3.04Å; L153-K156 WeakPolarHBondContact O-CB 3.33Å; L153-K156 PolarHBondContact O-N 2.99Å; L153-Y157 WeakPolarHBondContact O-CD2 3.47Å; L153-Y157 PolarHBondContact O-N 2.94Å
154I98.6Very high98.5Very high2 Ų236.5 Ų36.51%0.0120%0.198CC..Hα-helixtrans-54-47.4-174.5-70.5-72.3000112.4L33 L36 I122 L125 I137 V150 K156 Y157 L158 V165L33-I154 HydrophobicContact CD1-CD1 4.3Å; L36-I154 HydrophobicContact CD1-CD1 3.89Å; L36-I154 HydrophobicContact CD1-CG1 4.39Å; I122-I154 HydrophobicContact CD1-CD1 4.32Å; L125-I154 HydrophobicContact CD2-CD1 4.23Å; I137-I154 HydrophobicContact CD1-CD1 4.38Å; I137-I154 HydrophobicContact CD1-CG1 4.47Å; I137-I154 HydrophobicContact CD1-CG2 3.99Å; V150-I154 HydrophobicContact CG1-CG1 3.86Å; V150-I154 WeakPolarHBondContact O-CB 3.31Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.4Å; V150-I154 PolarHBondContact O-N 3.38Å; I154-K156 VanDerWaalsContact C-N 3.25Å; I154-K156 PolarHBondContact O-N 3.32Å; I154-Y157 PolarHBondContact O-N 3.27Å; I154-L158 HydrophobicContact CD1-CD1 4.06Å; I154-L158 HydrophobicContact CG2-CD1 4.25Å; I154-L158 PolarHBondContact O-N 3.14Å; I154-V165 HydrophobicContact CB-CG2 3.67Å; I154-V165 HydrophobicContact CG1-CG2 3.96Å; I154-V165 HydrophobicContact CG2-CG2 3.8Å
155P98.3Very high98.6Very high44 Ų4434.8 Ų34.829%0.28619%0.185SC..Hα-helixtrans-68-18.8179.6-20.734.5000115A151 Q160A151-P155 VanDerWaalsContact O-CD 3.22Å; A151-P155 WeakPolarHBondContact O-CD 3.37Å; A151-P155 WeakPolarHBondContact O-CG 3.26Å; P155-Q160 HydrophobicContact CB-CG 4.1Å; P155-Q160 PolarHBondContact O-NE2 2.84Å
156K98.6Very high98.5Very high132 Ų13234.7 Ų34.757%0.57418%0.183SC*.Hα-helixtrans-79.3-30.6178-65177.1-173.4177.50112.2E152 L153 I154E152-K156 WeakPolarHBondContact O-CE 3.47Å; E152-K156 WeakPolarHBondContact O-CG 3.27Å; E152-K156 IonicContact OE1-NZ 3.56Å; E152-K156 PolarHBondContact OE1-NZ 3.27Å; L153-K156 WeakPolarHBondContact O-CB 3.33Å; L153-K156 PolarHBondContact O-N 2.99Å; I154-K156 VanDerWaalsContact C-N 3.25Å; I154-K156 PolarHBondContact O-N 3.32Å
157Y98.8Very high98.5Very high47 Ų4739.9 Ų39.918%0.18420%0.202CC..Hα-helixtrans-101.6-48.3-176.2-75-98.2000112.4K32 A35 L36 D39 N40 L153 I154K32-Y157 WeakPolarHBondContact CD-O 3.36Å; K32-Y157 PolarHBondContact NZ-O 3.46Å; K32-Y157 WeakPolarHBondContact O-CD1 3.11Å; A35-Y157 HydrophobicContact CB-CD1 4.22Å; A35-Y157 HydrophobicContact CB-CE1 3.96Å; L36-Y157 HydrophobicContact CB-CD1 3.83Å; L36-Y157 HydrophobicContact CB-CD2 3.87Å; L36-Y157 HydrophobicContact CB-CE1 4.2Å; L36-Y157 HydrophobicContact CB-CE2 4.24Å; L36-Y157 HydrophobicContact CB-CG 3.65Å; L36-Y157 HydrophobicContact CD1-CD2 3.87Å; L36-Y157 HydrophobicContact CD1-CG 4.07Å; L36-Y157 HydrophobicContact CG-CD2 3.92Å; L36-Y157 HydrophobicContact CG-CE2 4.3Å; L36-Y157 HydrophobicContact CG-CG 4.18Å; D39-Y157 VanDerWaalsContact CB-OH 3.24Å; D39-Y157 WeakPolarHBondContact CB-OH 3.33Å; D39-Y157 WeakPolarHBondContact OD2-CE1 3.13Å; D39-Y157 PolarHBondContact OD2-OH 3.01Å; N40-Y157 PolarHBondContact ND2-OH 3.36Å; N40-Y157 VanDerWaalsContact ND2-OH 3.12Å; L153-Y157 WeakPolarHBondContact O-CD2 3.47Å; L153-Y157 PolarHBondContact O-N 2.94Å; I154-Y157 PolarHBondContact O-N 3.27Å
158L98.8Very high98.3Very high8 Ų840.2 Ų40.24%0.04221%0.208CC..SBendtrans-91.2159.4-171.8-56.9-171000112.6Q29 K32 L33 L125 I129 I154 Q160 Y163Q29-L158 WeakPolarHBondContact O-CD2 3.28Å; K32-L158 HydrophobicContact CB-CD2 4.12Å; L33-L158 HydrophobicContact CB-CD2 4.18Å; L33-L158 HydrophobicContact CD1-CD1 4.37Å; L125-L158 HydrophobicContact CD2-CD1 4.12Å; I129-L158 HydrophobicContact CD1-CD1 4.3Å; I154-L158 HydrophobicContact CD1-CD1 4.06Å; I154-L158 HydrophobicContact CG2-CD1 4.25Å; I154-L158 PolarHBondContact O-N 3.14Å; L158-Q160 PolarHBondContact O-N 3.37Å; L158-Y163 HydrophobicContact CB-CD2 3.74Å; L158-Y163 HydrophobicContact CB-CG 4.32Å; L158-Y163 HydrophobicContact CD1-CD2 4.16Å; L158-Y163 HydrophobicContact CD1-CG 4.15Å
159S98.4Very high98.1Very high21 Ų2138.3 Ų38.315%0.14720%0.197CC..  trans-63117.6174.6171.90000111D161 C162 Y163S159-D161 PolarHBondContact O-N 3.27Å; S159-D161 PolarHBondContact OG-N 2.91Å; S159-C162 PolarHBondContact O-N 3.24Å; S159-Y163 WeakPolarHBondContact O-CD2 3.11Å; S159-Y163 PolarHBondContact O-N 2.95Å
160Q98.1Very high97.8Very high111 Ų11141 Ų4152%0.51922%0.221SC..THydrogen-bonded Turntrans-68.1-18.9178.5-63.2-176.533.400113.1R10 P155 L158 C162R10-Q160 PolarHBondContact NE-O 3.01Å; P155-Q160 HydrophobicContact CB-CG 4.1Å; P155-Q160 PolarHBondContact O-NE2 2.84Å; L158-Q160 PolarHBondContact O-N 3.37Å; Q160-C162 VanDerWaalsContact C-N 3.25Å; Q160-C162 PolarHBondContact O-N 3.39Å
161D97.9Very high97.7Very high89 Ų8946.8 Ų46.848%0.47625%0.248SC..THydrogen-bonded Turntrans-73.3-19.3172.6-60.5-39.5000112.5L11 S159L11-D161 WeakPolarHBondContact CA-O 3.21Å; L11-D161 WeakPolarHBondContact CD2-O 3.34Å; S159-D161 PolarHBondContact O-N 3.27Å; S159-D161 PolarHBondContact OG-N 2.91Å
162C98.7Very high97.5Very high0 Ų049.9 Ų49.90%026%0.258CS..THydrogen-bonded Turntrans-119-22.7-173.8-640000114.1T20 F25 C134 A135 S159 Q160T20-C162 HydrophobicContact CG2-CB 4.33Å; F25-C162 HydrophobicContact CZ-CB 4.31Å; C134-C162 CarbonylContact C-O 3.52Å; C134-C162 WeakPolarHBondContact CA-O 3.29Å; C134-C162 WeakPolarHBondContact CB-O 3.49Å; A135-C162 PolarHBondContact N-O 3.45Å; S159-C162 PolarHBondContact O-N 3.24Å; Q160-C162 VanDerWaalsContact C-N 3.25Å; Q160-C162 PolarHBondContact O-N 3.39Å
163Y98.8Very high97.4Very high5 Ų546 Ų462%0.0224%0.241CC..EExtended strand (participates in β ladder)trans-137133.2-176-45.4-74.2000110.6F25 Q29 L125 I129 N133 A135 L158 S159F25-Y163 HydrophobicContact CE1-CE2 4.49Å; Q29-Y163 HydrophobicContact CB-CE2 4.29Å; Q29-Y163 HydrophobicContact CG-CE2 3.85Å; L125-Y163 HydrophobicContact CD1-CD1 4.14Å; I129-Y163 HydrophobicContact CD1-CE1 4.23Å; I129-Y163 HydrophobicContact CG1-CD1 4.38Å; I129-Y163 HydrophobicContact CG1-CE1 3.56Å; N133-Y163 WeakPolarHBondContact O-CE1 3.39Å; A135-Y163 HydrophobicContact CB-CD1 4.07Å; A135-Y163 WeakPolarHBondContact O-CA 3.23Å; L158-Y163 HydrophobicContact CB-CD2 3.74Å; L158-Y163 HydrophobicContact CB-CG 4.32Å; L158-Y163 HydrophobicContact CD1-CD2 4.16Å; L158-Y163 HydrophobicContact CD1-CG 4.15Å; S159-Y163 WeakPolarHBondContact O-CD2 3.11Å; S159-Y163 PolarHBondContact O-N 2.95Å
164A98.6Very high97.3Very high6 Ų651.5 Ų51.55%0.0527%0.265CS..EExtended strand (participates in β ladder)trans-138.9146.3179.600000111.2V7 L11 A135 V136 I137V7-A164 HydrophobicContact CG1-CB 3.51Å; L11-A164 HydrophobicContact CD1-CB 4.16Å; L11-A164 HydrophobicContact CD2-CB 4.42Å; A135-A164 PolarHBondContact O-N 3.49Å; V136-A164 CarbonylContact C-O 3.59Å; V136-A164 WeakPolarHBondContact CA-O 3.41Å; I137-A164 PolarHBondContact N-O 3.28Å
165V98.6Very high97.2Very high30 Ų3053.2 Ų53.218%0.18228%0.279CS..EExtended strand (participates in β ladder)trans-100.2128.9171.3-176.80000108.7I137 P139 V150 A151 I154 R167I137-V165 HydrophobicContact CB-CG2 4.39Å; I137-V165 HydrophobicContact CD1-CG2 4.41Å; I137-V165 CarbonylContact O-C 3.43Å; I137-V165 VanDerWaalsContact O-CA 3.32Å; I137-V165 WeakPolarHBondContact O-CA 3.15Å; P139-V165 HydrophobicContact CG-CG1 3.99Å; V150-V165 HydrophobicContact CG1-CG2 4.2Å; A151-V165 HydrophobicContact CB-CB 4.39Å; A151-V165 HydrophobicContact CB-CG1 3.88Å; I154-V165 HydrophobicContact CB-CG2 3.67Å; I154-V165 HydrophobicContact CG1-CG2 3.96Å; I154-V165 HydrophobicContact CG2-CG2 3.8Å; V165-R167 HydrophobicContact CG1-CG 4.2Å
166V98.1Very high97.2Very high13 Ų1351.2 Ų51.28%0.07927%0.266CS..  trans-116.3117.2172.3174.20000107.5H4 V7 V136 I137 K138 L176H4-V166 WeakPolarHBondContact NE2-CG1 3.42Å; V7-V166 HydrophobicContact CG1-CG2 4.48Å; V136-V166 HydrophobicContact CG1-CB 4Å; V136-V166 HydrophobicContact CG1-CG2 3.64Å; I137-V166 PolarHBondContact O-N 3.21Å; K138-V166 WeakPolarHBondContact CA-O 3.31Å; K138-V166 WeakPolarHBondContact CG-O 3.41Å; V166-L176 HydrophobicContact CB-CD2 4.22Å; V166-L176 HydrophobicContact CG1-CD1 4.44Å; V166-L176 HydrophobicContact CG1-CD2 4.03Å
167R97.3Very high97.2Very high113 Ų11345.6 Ų45.643%0.42624%0.242SC..  trans-96.4161.6179.8-52.717965.6-170-8.6110.4D147 C148 A151 V165D147-R167 VanDerWaalsContact OD1-CG 3.28Å; D147-R167 WeakPolarHBondContact OD1-CG 3.45Å; D147-R167 IonicContact OD1-CZ 2.81Å; D147-R167 IonicContact OD1-NE 3.71Å; D147-R167 PolarHBondContact OD1-NE 3.47Å; D147-R167 IonicContact OD1-NH2 3.93Å; D147-R167 IonicContact OD2-CZ 2.91Å; D147-R167 VanDerWaalsContact OD2-CZ 3.27Å; D147-R167 IonicContact OD2-NE 3.97Å; D147-R167 PolarHBondContact OD2-NE 2.94Å; D147-R167 IonicContact OD2-NH2 3.9Å; D147-R167 PolarHBondContact OD2-NH2 2.74Å; C148-R167 PolarHBondContact SG-NH2 3.46Å; A151-R167 HydrophobicContact CB-CG 3.97Å; V165-R167 HydrophobicContact CG1-CG 4.2Å
168G94.9Very high97.1Very high16 Ų1649.7 Ų49.717%0.16526%0.263CS..  trans138.9174.7172.600000112.7K138K138-G168 WeakPolarHBondContact CE-O 3.45Å; K138-G168 PolarHBondContact NZ-O 3.41Å
169G94.1Very high97Very high16 Ų1650.9 Ų50.917%0.16527%0.27CS..  trans-90.6-150.6-177.600000113.5E141 E171 E172 T173E141-G169 VanDerWaalsContact CD-CA 3.47Å; E141-G169 WeakPolarHBondContact OE1-CA 3.11Å; G169-E171 PolarHBondContact O-N 2.97Å; G169-E172 WeakPolarHBondContact CA-OE2 3.25Å; G169-E172 PolarHBondContact N-OE2 3.37Å; G169-T173 VanDerWaalsContact O-CB 3.32Å; G169-T173 WeakPolarHBondContact O-CB 3.37Å; G169-T173 PolarHBondContact O-N 3.35Å; G169-T173 PolarHBondContact O-OG1 3.32Å
170A93.4Very high97Very high71 Ų7157 Ų5759%0.58729%0.289SS*.Hα-helixtrans-61.3-41.6179.800000113T173 K174A170-T173 PolarHBondContact O-N 3.12Å; A170-K174 WeakPolarHBondContact O-CB 3.36Å; A170-K174 PolarHBondContact O-N 2.94Å
171E95.6Very high97Very high129 Ų12951.7 Ų51.760%0.60327%0.265SS*.Hα-helixtrans-69.4-43-178.3-68.9-54.6135.200111.9G169 T173 K174 A175G169-E171 PolarHBondContact O-N 2.97Å; E171-T173 VanDerWaalsContact C-N 3.34Å; E171-T173 PolarHBondContact O-N 3.3Å; E171-K174 PolarHBondContact O-N 3.45Å; E171-A175 WeakPolarHBondContact O-CB 3.41Å; E171-A175 PolarHBondContact O-N 3.41Å
172E95.6Very high97.1Very high90 Ų9049.7 Ų49.742%0.42125%0.254SS..Hα-helixtrans-64.4-40.8174.4-65.579-174.900111.1H4 G169 K174 A175 L176H4-E172 PolarHBondContact CE1-O 3.25Å; G169-E172 WeakPolarHBondContact CA-OE2 3.25Å; G169-E172 PolarHBondContact N-OE2 3.37Å; E172-K174 VanDerWaalsContact C-N 3.35Å; E172-K174 PolarHBondContact O-N 3.48Å; E172-A175 PolarHBondContact O-N 3.14Å; E172-L176 VanDerWaalsContact O-CB 3.31Å; E172-L176 WeakPolarHBondContact O-CB 3.23Å; E172-L176 PolarHBondContact O-N 2.94Å
173T96.3Very high97.1Very high16 Ų1650.1 Ų50.110%0.09826%0.256CS..Hα-helixtrans-62.6-42.6175.9-56.60000111.1I111 K138 G169 A170 E171 L176 L177I111-T173 HydrophobicContact CD1-CG2 4.19Å; K138-T173 WeakPolarHBondContact CE-OG1 3.37Å; K138-T173 PolarHBondContact NZ-OG1 2.92Å; G169-T173 VanDerWaalsContact O-CB 3.32Å; G169-T173 WeakPolarHBondContact O-CB 3.37Å; G169-T173 PolarHBondContact O-N 3.35Å; G169-T173 PolarHBondContact O-OG1 3.32Å; A170-T173 PolarHBondContact O-N 3.12Å; E171-T173 VanDerWaalsContact C-N 3.34Å; E171-T173 PolarHBondContact O-N 3.3Å; T173-L176 WeakPolarHBondContact O-CB 3.41Å; T173-L176 PolarHBondContact O-N 3.23Å; T173-L177 HydrophobicContact CG2-CD1 4.03Å; T173-L177 HydrophobicContact CG2-CG 4.49Å; T173-L177 WeakPolarHBondContact O-CB 3.42Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.45Å; T173-L177 PolarHBondContact O-N 3.49Å
174K96.1Very high97.1Very high123 Ų12350 Ų5054%0.53526%0.256SS..Hα-helixtrans-62.6-45.1175.6-178.4-178.4176.8-173.70111.7A170 E171 E172 L176 L177 Q178A170-K174 WeakPolarHBondContact O-CB 3.36Å; A170-K174 PolarHBondContact O-N 2.94Å; E171-K174 PolarHBondContact O-N 3.45Å; E172-K174 VanDerWaalsContact C-N 3.35Å; E172-K174 PolarHBondContact O-N 3.48Å; K174-L176 VanDerWaalsContact C-N 3.32Å; K174-L176 PolarHBondContact O-N 2.93Å; K174-L177 PolarHBondContact O-N 3.22Å; K174-Q178 WeakPolarHBondContact O-CG 3.5Å; K174-Q178 PolarHBondContact O-N 3.36Å
175A96.8Very high97.1Very high37 Ų3749.7 Ų49.731%0.30625%0.253SS..Hα-helixtrans-64.3-36.7175.400000112E171 E172 Q178 N179E171-A175 WeakPolarHBondContact O-CB 3.41Å; E171-A175 PolarHBondContact O-N 3.41Å; E172-A175 PolarHBondContact O-N 3.14Å; A175-Q178 PolarHBondContact O-N 2.97Å; A175-N179 PolarHBondContact O-ND2 2.58Å
176L97.6Very high97.1Very high2 Ų249 Ų491%0.0125%0.247CC..Hα-helixtrans-64.3-46.5175.6-174.360.4000111.1H4 L109 V136 K138 V166 E172 T173 K174 Q178 N179 F181H4-L176 HydrophobicContact CB-CD1 4.41Å; L109-L176 HydrophobicContact CD1-CD2 3.61Å; L109-L176 HydrophobicContact CD1-CG 4.28Å; L109-L176 HydrophobicContact CD2-CD2 4.36Å; L109-L176 HydrophobicContact CD2-CG 4.4Å; V136-L176 HydrophobicContact CG1-CD1 4.45Å; V136-L176 HydrophobicContact CG1-CD2 4.15Å; K138-L176 HydrophobicContact CB-CD2 4.34Å; K138-L176 HydrophobicContact CG-CD2 4.23Å; V166-L176 HydrophobicContact CB-CD2 4.22Å; V166-L176 HydrophobicContact CG1-CD1 4.44Å; V166-L176 HydrophobicContact CG1-CD2 4.03Å; E172-L176 VanDerWaalsContact O-CB 3.31Å; E172-L176 WeakPolarHBondContact O-CB 3.23Å; E172-L176 PolarHBondContact O-N 2.94Å; T173-L176 WeakPolarHBondContact O-CB 3.41Å; T173-L176 PolarHBondContact O-N 3.23Å; K174-L176 VanDerWaalsContact C-N 3.32Å; K174-L176 PolarHBondContact O-N 2.93Å; L176-Q178 PolarHBondContact O-N 3.42Å; L176-N179 WeakPolarHBondContact O-CB 3.41Å; L176-N179 PolarHBondContact O-N 3Å; L176-N179 PolarHBondContact O-ND2 3.33Å; L176-F181 HydrophobicContact CD1-CZ 3.91Å; L176-F181 HydrophobicContact CG-CE2 4.44Å; L176-F181 HydrophobicContact CG-CZ 4.14Å
177L97.9Very high97.2Very high14 Ų1448.6 Ų48.67%0.07325%0.245CC..Hα-helixtrans-65.3-15.1179.8-76169000114.7L109 I111 T173 K174 N179 I184 V196 A199L109-L177 HydrophobicContact CD2-CD2 3.81Å; I111-L177 HydrophobicContact CD1-CD2 4.18Å; T173-L177 HydrophobicContact CG2-CD1 4.03Å; T173-L177 HydrophobicContact CG2-CG 4.49Å; T173-L177 WeakPolarHBondContact O-CB 3.42Å; T173-L177 VanDerWaalsContact O-CG 3.3Å; T173-L177 WeakPolarHBondContact O-CG 3.45Å; T173-L177 PolarHBondContact O-N 3.49Å; K174-L177 PolarHBondContact O-N 3.22Å; L177-N179 PolarHBondContact O-N 2.84Å; L177-I184 HydrophobicContact CD2-CD1 4.06Å; L177-I184 HydrophobicContact CD2-CG2 4.44Å; L177-V196 HydrophobicContact CD1-CG2 4.09Å; L177-V196 HydrophobicContact CD2-CG1 4.32Å; L177-A199 HydrophobicContact CB-CB 3.8Å
178Q97.1Very high97.2Very high134 Ų13444 Ų4463%0.62623%0.233SC*.THydrogen-bonded Turntrans-68.1-17.9171.3-70.6170.9-5.400112.7K174 A175 L176 H203K174-Q178 WeakPolarHBondContact O-CG 3.5Å; K174-Q178 PolarHBondContact O-N 3.36Å; A175-Q178 PolarHBondContact O-N 2.97Å; L176-Q178 PolarHBondContact O-N 3.42Å; Q178-H203 PolarHBondContact O-NE2 2.91Å
179N97.8Very high97.3Very high33 Ų3346 Ų4618%0.17625%0.245CC..SBendtrans-87.7153.9-178.1-59.4-88.5000111.9L8 A175 L176 L177 F181L8-N179 HydrophobicContact CD1-CB 3.25Å; L8-N179 VanDerWaalsContact CD1-CG 3.41Å; A175-N179 PolarHBondContact O-ND2 2.58Å; L176-N179 WeakPolarHBondContact O-CB 3.41Å; L176-N179 PolarHBondContact O-N 3Å; L176-N179 PolarHBondContact O-ND2 3.33Å; L177-N179 PolarHBondContact O-N 2.84Å; N179-F181 HydrophobicContact CB-CE2 4.19Å; N179-F181 WeakPolarHBondContact O-CD2 3.44Å
180R97.9Very high97.4Very high148 Ų14848 Ų4856%0.55825%0.25SC*.  trans-75.3124.4176.5179.7173.9175.9175.31.6112R12 H203R12-R180 PolarHBondContact NH2-O 3.43Å; R180-H203 HydrophobicContact CB-CB 4.41Å; R180-H203 HydrophobicContact CG-CB 4.2Å
181F98.8Very high97.4Very high1 Ų148.1 Ų48.10%0.00425%0.25CS..  trans-117.8157.3167.3-65.6-84.8000109.9L8 V107 L109 V136 L176 N179 I184 T205L8-F181 HydrophobicContact CD1-CZ 4.32Å; L8-F181 HydrophobicContact CD2-CD1 4.31Å; L8-F181 HydrophobicContact CD2-CE1 3.46Å; L8-F181 VanDerWaalsContact CD2-CE1 3.46Å; L8-F181 HydrophobicContact CD2-CZ 3.77Å; V107-F181 HydrophobicContact CG1-CD1 4.18Å; V107-F181 HydrophobicContact CG1-CE1 4.38Å; L109-F181 HydrophobicContact CB-CB 4.46Å; L109-F181 HydrophobicContact CB-CD1 3.63Å; L109-F181 HydrophobicContact CB-CD2 4.03Å; L109-F181 HydrophobicContact CB-CE1 3.72Å; L109-F181 HydrophobicContact CB-CE2 4.14Å; L109-F181 HydrophobicContact CB-CG 3.77Å; L109-F181 HydrophobicContact CB-CZ 3.98Å; L109-F181 HydrophobicContact CD1-CE1 4.34Å; L109-F181 HydrophobicContact CD1-CZ 4.15Å; L109-F181 HydrophobicContact CD2-CD2 4.08Å; L109-F181 HydrophobicContact CD2-CE2 3.74Å; L109-F181 HydrophobicContact CD2-CZ 4.02Å; L109-F181 HydrophobicContact CG-CE1 4.43Å; L109-F181 HydrophobicContact CG-CE2 4.4Å; L109-F181 HydrophobicContact CG-CZ 4.27Å; V136-F181 HydrophobicContact CB-CE1 4.11Å; V136-F181 HydrophobicContact CG2-CE1 3.88Å; L176-F181 HydrophobicContact CD1-CZ 3.91Å; L176-F181 HydrophobicContact CG-CE2 4.44Å; L176-F181 HydrophobicContact CG-CZ 4.14Å; N179-F181 HydrophobicContact CB-CE2 4.19Å; N179-F181 WeakPolarHBondContact O-CD2 3.44Å; F181-I184 HydrophobicContact CB-CG1 4.01Å; F181-I184 HydrophobicContact CD2-CG1 4.32Å; F181-I184 HydrophobicContact CG-CG1 4.4Å; F181-T205 HydrophobicContact CB-CG2 4.24Å; F181-T205 WeakPolarHBondContact O-CG2 3.41Å; F181-T205 PolarHBondContact O-OG1 3.2Å
182D98.9Very high97.4Very high46 Ų4645.1 Ų45.125%0.24624%0.24CC..SBendtrans-88.6-16.3176.7-57-66000111.7L105 G106 V107 P206L105-D182 HydrophobicContact CB-CB 3.99Å; L105-D182 VanDerWaalsContact O-CB 3.3Å; L105-D182 WeakPolarHBondContact O-CB 3.46Å; G106-D182 WeakPolarHBondContact CA-OD2 3.3Å; V107-D182 PolarHBondContact N-OD2 2.95Å; V107-D182 PolarHBondContact O-N 3.01Å; D182-P206 WeakPolarHBondContact O-CD 3.43Å; D182-P206 VanDerWaalsContact O-CG 3.29Å; D182-P206 WeakPolarHBondContact O-CG 3.35Å
183H98.9Very high97.5Very high10 Ų1041 Ų415%0.04622%0.222CC..EExtended strand (participates in β ladder)trans-156.5147.8165.3-161.187.9000110.4L105 V108 L109 P206 T208 F424L105-H183 HydrophobicContact CD1-CB 3.71Å; V108-H183 CarbonylContact C-O 3.51Å; V108-H183 WeakPolarHBondContact CA-O 3.1Å; V108-H183 HydrophobicContact CB-CB 4.22Å; V108-H183 HydrophobicContact CG1-CB 3.76Å; L109-H183 PolarHBondContact N-O 2.83Å; H183-P206 WeakPolarHBondContact CA-O 3.42Å; H183-T208 PolarHBondContact CE1-OG1 3.31Å; H183-T208 PolarHBondContact NE2-N 2.95Å; H183-T208 PolarHBondContact NE2-OG1 3.06Å; H183-F424 HydrophobicContact CB-CD1 4.45Å; H183-F424 AromaticContact CD2-CD1 3.95Å; H183-F424 AromaticContact CD2-CE1 3.67Å
184I98.9Very high97.6Very high2 Ų248 Ų481%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-120.5121.2169.5-60.7159.1000109.4L109 I111 L177 F181 V196 A200 T205 P206 V207 T208L109-I184 HydrophobicContact CB-CG1 4.11Å; L109-I184 HydrophobicContact CB-CG2 4.41Å; L109-I184 HydrophobicContact CD2-CG1 4.32Å; L109-I184 HydrophobicContact CD2-CG2 4.2Å; L109-I184 HydrophobicContact CG-CG2 4.43Å; L109-I184 CarbonylContact O-C 3.53Å; I111-I184 HydrophobicContact CD1-CG2 4.47Å; L177-I184 HydrophobicContact CD2-CD1 4.06Å; L177-I184 HydrophobicContact CD2-CG2 4.44Å; F181-I184 HydrophobicContact CB-CG1 4.01Å; F181-I184 HydrophobicContact CD2-CG1 4.32Å; F181-I184 HydrophobicContact CG-CG1 4.4Å; I184-V196 HydrophobicContact CG2-CG1 3.68Å; I184-A200 HydrophobicContact CD1-CB 3.81Å; I184-T205 HydrophobicContact CD1-CG2 3.86Å; I184-T205 HydrophobicContact CG1-CG2 3.81Å; I184-P206 PolarHBondContact N-O 3.21Å; I184-V207 HydrophobicContact CB-CG1 4.1Å; I184-V207 CarbonylContact O-C 3.6Å; I184-V207 WeakPolarHBondContact O-CA 3.47Å; I184-T208 PolarHBondContact O-N 3.34Å
185F98.9Very high97.7Very high0 Ų045.2 Ų45.20%024%0.243CC..EExtended strand (participates in β ladder)trans-104.7121.3172.8-170.4-77.4000108.7L109 I110 I111 P124 T187 T208 E210 Y415 F424L109-F185 PolarHBondContact O-N 2.86Å; I110-F185 WeakPolarHBondContact CA-O 3.49Å; I110-F185 HydrophobicContact CG1-CB 4.31Å; I111-F185 PolarHBondContact N-O 3.34Å; P124-F185 HydrophobicContact CB-CD1 3.74Å; P124-F185 HydrophobicContact CB-CD2 4.11Å; P124-F185 HydrophobicContact CB-CE1 3.73Å; P124-F185 HydrophobicContact CB-CE2 4.1Å; P124-F185 HydrophobicContact CB-CG 3.95Å; P124-F185 HydrophobicContact CB-CZ 3.92Å; P124-F185 HydrophobicContact CG-CD1 3.98Å; P124-F185 HydrophobicContact CG-CE1 3.82Å; P124-F185 HydrophobicContact CG-CZ 4.36Å; F185-T187 WeakPolarHBondContact CE1-OG1 3.23Å; F185-T208 HydrophobicContact CD2-CG2 3.66Å; F185-T208 HydrophobicContact CE2-CG2 3.46Å; F185-T208 VanDerWaalsContact CE2-CG2 3.46Å; F185-T208 HydrophobicContact CZ-CG2 4.31Å; F185-E210 HydrophobicContact CE1-CG 4.14Å; F185-E210 HydrophobicContact CE2-CG 4.42Å; F185-E210 HydrophobicContact CZ-CG 3.66Å; F185-Y415 AromaticContact CE2-CD1 3.91Å; F185-Y415 HydrophobicContact CE2-CD1 3.91Å; F185-Y415 HydrophobicContact CE2-CD2 4.21Å; F185-Y415 HydrophobicContact CE2-CE1 4.49Å; F185-Y415 AromaticContact CE2-CG 3.77Å; F185-Y415 HydrophobicContact CE2-CG 3.77Å; F185-Y415 AromaticContact CZ-CD1 3.62Å; F185-Y415 HydrophobicContact CZ-CD1 3.62Å; F185-Y415 AromaticContact CZ-CD2 3.92Å; F185-Y415 HydrophobicContact CZ-CD2 3.92Å; F185-Y415 AromaticContact CZ-CE1 3.75Å; F185-Y415 HydrophobicContact CZ-CE1 3.75Å; F185-Y415 HydrophobicContact CZ-CE2 4.07Å; F185-Y415 AromaticContact CZ-CG 3.74Å; F185-Y415 HydrophobicContact CZ-CG 3.74Å; F185-F424 HydrophobicContact CB-CE1 4.06Å; F185-F424 HydrophobicContact CB-CZ 3.94Å; F185-F424 HydrophobicContact CD2-CE1 4.26Å; F185-F424 HydrophobicContact CD2-CE2 4.4Å; F185-F424 AromaticContact CD2-CZ 3.59Å; F185-F424 HydrophobicContact CD2-CZ 3.59Å; F185-F424 HydrophobicContact CE2-CZ 4.42Å; F185-F424 AromaticContact CG-CZ 3.99Å; F185-F424 HydrophobicContact CG-CZ 3.99Å
186Y98.9Very high97.7Very high14 Ų1443.5 Ų43.56%0.05523%0.228CC..EExtended strand (participates in β ladder)trans-130.5129.5-178.8168.2-94.8000110.7I111 G188 S189 V192 A193 V196 T208 L209 E210 L211I111-Y186 HydrophobicContact CB-CD2 3.88Å; I111-Y186 HydrophobicContact CD1-CD2 4.24Å; I111-Y186 HydrophobicContact CG2-CD2 3.78Å; I111-Y186 HydrophobicContact CG2-CE2 4.16Å; Y186-G188 WeakPolarHBondContact OH-CA 3.41Å; Y186-S189 PolarHBondContact OH-N 3.27Å; Y186-S189 PolarHBondContact OH-O 3.34Å; Y186-V192 HydrophobicContact CE2-CB 4.46Å; Y186-V192 HydrophobicContact CE2-CG1 3.7Å; Y186-V192 VanDerWaalsContact OH-CB 3.27Å; Y186-V192 WeakPolarHBondContact OH-CB 3.46Å; Y186-V192 WeakPolarHBondContact OH-CG1 3.36Å; Y186-A193 HydrophobicContact CD1-CB 4.1Å; Y186-A193 HydrophobicContact CE1-CB 3.78Å; Y186-V196 HydrophobicContact CD2-CG2 3.96Å; Y186-V196 HydrophobicContact CE2-CG2 4.43Å; Y186-V196 HydrophobicContact CG-CG2 4.04Å; Y186-T208 PolarHBondContact N-O 3.09Å; Y186-L209 HydrophobicContact CD1-CD2 4.04Å; Y186-L209 HydrophobicContact CG-CD2 4.45Å; Y186-L209 WeakPolarHBondContact O-CA 3.38Å; Y186-E210 PolarHBondContact O-N 3.31Å; Y186-L211 HydrophobicContact CD1-CD2 3.9Å; Y186-L211 HydrophobicContact CE1-CD2 3.65Å
187T98.9Very high97.8Very high6 Ų645.7 Ų45.74%0.03724%0.242CC..EExtended strand (participates in β ladder)trans-114.6130.6167.5-50.60000109.9I111 P113 L120 F185 E210I111-T187 PolarHBondContact O-N 3.3Å; I111-T187 VanDerWaalsContact O-N 3.14Å; P113-T187 HydrophobicContact CG-CG2 3.78Å; L120-T187 HydrophobicContact CD1-CG2 4.28Å; L120-T187 HydrophobicContact CD2-CG2 4.48Å; F185-T187 WeakPolarHBondContact CE1-OG1 3.23Å; T187-E210 CarbonylContact C-O 3.5Å; T187-E210 VanDerWaalsContact CA-O 3.23Å; T187-E210 WeakPolarHBondContact CA-O 3.3Å; T187-E210 HydrophobicContact CG2-CB 3.78Å; T187-E210 WeakPolarHBondContact CG2-O 3.3Å; T187-E210 WeakPolarHBondContact OG1-CB 3.29Å
188G97.8Very high97.8Very high17 Ų1751.3 Ų51.318%0.17527%0.268CS..EExtended strand (participates in β ladder)trans154.8-148.5174.500000114.3Y186 E210 L211Y186-G188 WeakPolarHBondContact OH-CA 3.41Å; G188-E210 PolarHBondContact N-O 3.19Å; G188-L211 WeakPolarHBondContact O-CA 3.38Å; G188-L211 VanDerWaalsContact O-CD2 3.31Å; G188-L211 WeakPolarHBondContact O-CD2 3.49Å
189S96.4Very high97.8Very high58 Ų5846.1 Ų46.141%0.40625%0.248SC..  trans-72.1148-17574.40000113.5Y186 A191 V192 A193Y186-S189 PolarHBondContact OH-N 3.27Å; Y186-S189 PolarHBondContact OH-O 3.34Å; S189-A191 PolarHBondContact O-N 2.9Å; S189-V192 PolarHBondContact O-N 3.1Å; S189-V192 PolarHBondContact OG-N 2.93Å; S189-A193 WeakPolarHBondContact O-CB 3.37Å; S189-A193 PolarHBondContact O-N 3.43Å
190Q96.1Very high97.9Very high58 Ų5844.7 Ų44.727%0.27124%0.24SC..Hα-helixtrans-59.7-33.3174.2-60.6-179.410.600112.8A193 R194 L211 G212 A409Q190-A193 WeakPolarHBondContact O-CB 3.32Å; Q190-A193 PolarHBondContact O-N 3.13Å; Q190-R194 WeakPolarHBondContact O-CG 3.31Å; Q190-R194 PolarHBondContact O-N 3Å; Q190-L211 HydrophobicContact CG-CB 4.17Å; Q190-L211 HydrophobicContact CG-CD1 4.11Å; Q190-G212 PolarHBondContact NE2-O 2.87Å; Q190-A409 WeakPolarHBondContact CG-O 3.47Å; Q190-A409 PolarHBondContact NE2-O 3.13Å; Q190-A409 VanDerWaalsContact NE2-O 3.12Å
191A93.8Very high97.9Very high72 Ų7241.1 Ų41.160%0.59524%0.238SC*.Hα-helixtrans-63.7-48179.900000111.8S189S189-A191 PolarHBondContact O-N 2.9Å
192V96.3Very high97.9Very high66 Ų6646.3 Ų46.340%0.427%0.27SS..Hα-helixtrans-71.3-34.4177.3172.30000110.8Y186 S189 R194 S195 V196Y186-V192 HydrophobicContact CE2-CB 4.46Å; Y186-V192 HydrophobicContact CE2-CG1 3.7Å; Y186-V192 VanDerWaalsContact OH-CB 3.27Å; Y186-V192 WeakPolarHBondContact OH-CB 3.46Å; Y186-V192 WeakPolarHBondContact OH-CG1 3.36Å; S189-V192 PolarHBondContact O-N 3.1Å; S189-V192 PolarHBondContact OG-N 2.93Å; V192-R194 VanDerWaalsContact C-N 3.27Å; V192-R194 PolarHBondContact O-N 3.31Å; V192-S195 WeakPolarHBondContact O-CA 3.4Å; V192-S195 VanDerWaalsContact O-CB 3.29Å; V192-S195 WeakPolarHBondContact O-CB 3.49Å; V192-S195 PolarHBondContact O-N 2.97Å; V192-V196 HydrophobicContact CG1-CG2 4.37Å; V192-V196 PolarHBondContact O-N 2.62Å
193A97.9Very high97.8Very high3 Ų347.2 Ų47.23%0.02527%0.272CS..Hα-helixtrans-55.4-40.8176.700000112.9Y186 S189 Q190 S195 V196 V197 L209 L211Y186-A193 HydrophobicContact CD1-CB 4.1Å; Y186-A193 HydrophobicContact CE1-CB 3.78Å; S189-A193 WeakPolarHBondContact O-CB 3.37Å; S189-A193 PolarHBondContact O-N 3.43Å; Q190-A193 WeakPolarHBondContact O-CB 3.32Å; Q190-A193 PolarHBondContact O-N 3.13Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.65Å; A193-V196 WeakPolarHBondContact O-CB 3.41Å; A193-V196 PolarHBondContact O-N 2.96Å; A193-V196 VanDerWaalsContact O-N 3.16Å; A193-V197 VanDerWaalsContact O-CG2 3.3Å; A193-V197 WeakPolarHBondContact O-CG2 3.5Å; A193-V197 PolarHBondContact O-N 3.28Å; A193-L209 HydrophobicContact CB-CD1 4.18Å; A193-L211 HydrophobicContact CB-CD1 3.78Å; A193-L211 HydrophobicContact CB-CD2 3.48Å; A193-L211 VanDerWaalsContact CB-CD2 3.48Å; A193-L211 HydrophobicContact CB-CG 4.3Å
194R97.6Very high97.8Very high164 Ų16454.2 Ų54.262%0.61931%0.309SS*.Hα-helixtrans-59.2-38.8174.4-65178-145.6-82.2-1.3112Q190 V192 V197 Q198Q190-R194 WeakPolarHBondContact O-CG 3.31Å; Q190-R194 PolarHBondContact O-N 3Å; V192-R194 VanDerWaalsContact C-N 3.27Å; V192-R194 PolarHBondContact O-N 3.31Å; R194-V197 PolarHBondContact O-N 2.85Å; R194-Q198 WeakPolarHBondContact O-CB 3.37Å; R194-Q198 VanDerWaalsContact O-CG 3.24Å; R194-Q198 WeakPolarHBondContact O-CG 3.28Å; R194-Q198 PolarHBondContact O-N 3.25Å
195S97.5Very high97.8Very high65 Ų6554.8 Ų54.846%0.45531%0.313SS..Hα-helixtrans-68.5-39.1176.8-55.60000111.7V192 A193 Q198 A199V192-S195 WeakPolarHBondContact O-CA 3.4Å; V192-S195 VanDerWaalsContact O-CB 3.29Å; V192-S195 WeakPolarHBondContact O-CB 3.49Å; V192-S195 PolarHBondContact O-N 2.97Å; A193-S195 VanDerWaalsContact C-N 3.27Å; A193-S195 PolarHBondContact O-N 2.65Å; S195-Q198 PolarHBondContact O-N 2.86Å; S195-A199 PolarHBondContact O-N 2.86Å
196V98.4Very high97.8Very high1 Ų157.8 Ų57.81%0.00633%0.332CS..Hα-helixtrans-61.1-47.7174.3175.30000110.8I111 L177 I184 Y186 V192 A193 Q198 A199 A200 L209I111-V196 HydrophobicContact CD1-CG2 4.48Å; L177-V196 HydrophobicContact CD1-CG2 4.09Å; L177-V196 HydrophobicContact CD2-CG1 4.32Å; I184-V196 HydrophobicContact CG2-CG1 3.68Å; Y186-V196 HydrophobicContact CD2-CG2 3.96Å; Y186-V196 HydrophobicContact CE2-CG2 4.43Å; Y186-V196 HydrophobicContact CG-CG2 4.04Å; V192-V196 HydrophobicContact CG1-CG2 4.37Å; V192-V196 PolarHBondContact O-N 2.62Å; A193-V196 WeakPolarHBondContact O-CB 3.41Å; A193-V196 PolarHBondContact O-N 2.96Å; A193-V196 VanDerWaalsContact O-N 3.16Å; V196-Q198 PolarHBondContact O-N 3.34Å; V196-A199 PolarHBondContact O-N 3.42Å; V196-A200 WeakPolarHBondContact O-CB 3.26Å; V196-A200 PolarHBondContact O-N 3.04Å; V196-L209 HydrophobicContact CG1-CD2 4.44Å
197V98.4Very high97.8Very high48 Ų4858 Ų5829%0.29134%0.335SS..Hα-helixtrans-63.2-42.8178.9177.30000111.3A193 R194 A199 A200 S201 V207 L209 W412A193-V197 VanDerWaalsContact O-CG2 3.3Å; A193-V197 WeakPolarHBondContact O-CG2 3.5Å; A193-V197 PolarHBondContact O-N 3.28Å; R194-V197 PolarHBondContact O-N 2.85Å; V197-A199 PolarHBondContact O-N 2.89Å; V197-A200 PolarHBondContact O-N 3.21Å; V197-S201 WeakPolarHBondContact O-CB 3.39Å; V197-S201 PolarHBondContact O-N 2.87Å; V197-V207 HydrophobicContact CG2-CG2 4.24Å; V197-L209 HydrophobicContact CG2-CD1 3.65Å; V197-W412 HydrophobicContact CG2-CH2 3.64Å; V197-W412 HydrophobicContact CG2-CZ2 3.72Å
198Q98.3Very high97.8Very high132 Ų13257.9 Ų57.962%0.61733%0.334SS*.Hα-helixtrans-59-46.8176-76.9171.7-15.400111.3R194 S195 V196 S201R194-Q198 WeakPolarHBondContact O-CB 3.37Å; R194-Q198 VanDerWaalsContact O-CG 3.24Å; R194-Q198 WeakPolarHBondContact O-CG 3.28Å; R194-Q198 PolarHBondContact O-N 3.25Å; S195-Q198 PolarHBondContact O-N 2.86Å; V196-Q198 PolarHBondContact O-N 3.34Å; Q198-S201 PolarHBondContact O-N 3.01Å; Q198-S201 PolarHBondContact O-OG 3.26Å
199A98.1Very high97.9Very high25 Ų2557.1 Ų57.121%0.20733%0.326CS..Hα-helixtrans-64.5-43.2176.600000112.6L177 S195 V196 V197 S201 V202L177-A199 HydrophobicContact CB-CB 3.8Å; S195-A199 PolarHBondContact O-N 2.86Å; V196-A199 PolarHBondContact O-N 3.42Å; V197-A199 PolarHBondContact O-N 2.89Å; A199-S201 VanDerWaalsContact C-N 3.28Å; A199-S201 PolarHBondContact O-N 3.31Å; A199-V202 WeakPolarHBondContact O-CB 3.45Å; A199-V202 PolarHBondContact O-N 3.42Å
200A98.6Very high98Very high3 Ų354.6 Ų54.63%0.02531%0.308CS..Hα-helixtrans-61.2-36.7177.500000112.3I184 V196 V197 V202 H203 L204 T205 V207I184-A200 HydrophobicContact CD1-CB 3.81Å; V196-A200 WeakPolarHBondContact O-CB 3.26Å; V196-A200 PolarHBondContact O-N 3.04Å; V197-A200 PolarHBondContact O-N 3.21Å; A200-V202 PolarHBondContact O-N 3.39Å; A200-H203 PolarHBondContact O-N 3.04Å; A200-H203 VanDerWaalsContact O-N 3.11Å; A200-L204 PolarHBondContact O-N 3.23Å; A200-L204 VanDerWaalsContact O-N 3.11Å; A200-T205 PolarHBondContact O-N 3.34Å; A200-V207 HydrophobicContact CB-CG1 3.41Å; A200-V207 VanDerWaalsContact CB-CG1 3.41Å
201S98.4Very high98.1Very high73 Ų7352.1 Ų52.151%0.5130%0.297SS..Hα-helixtrans-62.3-28.4-178.676.70000113.4V197 Q198 A199 H203 L204V197-S201 WeakPolarHBondContact O-CB 3.39Å; V197-S201 PolarHBondContact O-N 2.87Å; Q198-S201 PolarHBondContact O-N 3.01Å; Q198-S201 PolarHBondContact O-OG 3.26Å; A199-S201 VanDerWaalsContact C-N 3.28Å; A199-S201 PolarHBondContact O-N 3.31Å; S201-H203 PolarHBondContact O-N 3.44Å; S201-L204 PolarHBondContact O-N 2.89Å
202V98.3Very high98.2Very high110 Ų11048.8 Ų48.867%0.66727%0.269SS*.Hα-helixtrans-60.3-34.3176.2178.20000111.7A199 A200A199-V202 WeakPolarHBondContact O-CB 3.45Å; A199-V202 PolarHBondContact O-N 3.42Å; A200-V202 PolarHBondContact O-N 3.39Å
203H98.4Very high98.1Very high65 Ų6546.2 Ų46.230%0.30126%0.256SS..THydrogen-bonded Turntrans-1074.3-178.3-62.5-64000113.3Q178 R180 A200 S201 T205Q178-H203 PolarHBondContact O-NE2 2.91Å; R180-H203 HydrophobicContact CB-CB 4.41Å; R180-H203 HydrophobicContact CG-CB 4.2Å; A200-H203 PolarHBondContact O-N 3.04Å; A200-H203 VanDerWaalsContact O-N 3.11Å; S201-H203 PolarHBondContact O-N 3.44Å; H203-T205 WeakPolarHBondContact CB-OG1 3.43Å; H203-T205 PolarHBondContact O-N 3.44Å
204L98.6Very high98.2Very high156 Ų15647.3 Ų47.382%0.81726%0.26SS*.THydrogen-bonded Turntrans52.935.8-170.4-55.4176.9000112.6A200 S201A200-L204 PolarHBondContact O-N 3.23Å; A200-L204 VanDerWaalsContact O-N 3.11Å; S201-L204 PolarHBondContact O-N 2.89Å
205T98.9Very high98.2Very high15 Ų1539.5 Ų39.59%0.09223%0.231CC..  trans-77.3126.1-178.5-61.10000110.1F181 I184 A200 H203F181-T205 HydrophobicContact CB-CG2 4.24Å; F181-T205 WeakPolarHBondContact O-CG2 3.41Å; F181-T205 PolarHBondContact O-OG1 3.2Å; I184-T205 HydrophobicContact CD1-CG2 3.86Å; I184-T205 HydrophobicContact CG1-CG2 3.81Å; A200-T205 PolarHBondContact O-N 3.34Å; H203-T205 WeakPolarHBondContact CB-OG1 3.43Å; H203-T205 PolarHBondContact O-N 3.44Å
206P98.8Very high98.3Very high63 Ų6336.4 Ų36.441%0.40921%0.209SC..  trans-64.3148.2171.727.9-34.1000110.6D182 H183 I184D182-P206 WeakPolarHBondContact O-CD 3.43Å; D182-P206 VanDerWaalsContact O-CG 3.29Å; D182-P206 WeakPolarHBondContact O-CG 3.35Å; H183-P206 WeakPolarHBondContact CA-O 3.42Å; I184-P206 PolarHBondContact N-O 3.21Å
207V98.8Very high98.3Very high19 Ų1936.4 Ų36.412%0.11521%0.209CC..EExtended strand (participates in β ladder)trans-131.3143.6-178.6-52.10000111.9I184 V197 A200 L209 W412I184-V207 HydrophobicContact CB-CG1 4.1Å; I184-V207 CarbonylContact O-C 3.6Å; I184-V207 WeakPolarHBondContact O-CA 3.47Å; V197-V207 HydrophobicContact CG2-CG2 4.24Å; A200-V207 HydrophobicContact CB-CG1 3.41Å; A200-V207 VanDerWaalsContact CB-CG1 3.41Å; V207-L209 HydrophobicContact CB-CD2 4.34Å; V207-L209 HydrophobicContact CG2-CD1 4.45Å; V207-L209 HydrophobicContact CG2-CD2 4.19Å; V207-L209 HydrophobicContact CG2-CG 4.06Å; V207-W412 HydrophobicContact CG2-CZ2 3.56Å; V207-W412 PolarHBondContact O-NE1 3.4Å; V207-W412 VanDerWaalsContact O-NE1 3.07Å
208T98.9Very high98.3Very high3 Ų334.1 Ų34.12%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-109.4127.6163.3-58.60000107.9H183 I184 F185 Y186 T423H183-T208 PolarHBondContact CE1-OG1 3.31Å; H183-T208 PolarHBondContact NE2-N 2.95Å; H183-T208 PolarHBondContact NE2-OG1 3.06Å; I184-T208 PolarHBondContact O-N 3.34Å; F185-T208 HydrophobicContact CD2-CG2 3.66Å; F185-T208 HydrophobicContact CE2-CG2 3.46Å; F185-T208 VanDerWaalsContact CE2-CG2 3.46Å; F185-T208 HydrophobicContact CZ-CG2 4.31Å; Y186-T208 PolarHBondContact N-O 3.09Å; T208-T423 VanDerWaalsContact OG1-CG2 3.3Å; T208-T423 WeakPolarHBondContact OG1-CG2 3.3Å
209L98.8Very high98.3Very high1 Ų127.9 Ų27.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-120.4118.9-179.6-56.8-177000109.5Y186 A193 V196 V197 V207 L211 G411 W412Y186-L209 HydrophobicContact CD1-CD2 4.04Å; Y186-L209 HydrophobicContact CG-CD2 4.45Å; Y186-L209 WeakPolarHBondContact O-CA 3.38Å; A193-L209 HydrophobicContact CB-CD1 4.18Å; V196-L209 HydrophobicContact CG1-CD2 4.44Å; V197-L209 HydrophobicContact CG2-CD1 3.65Å; V207-L209 HydrophobicContact CB-CD2 4.34Å; V207-L209 HydrophobicContact CG2-CD1 4.45Å; V207-L209 HydrophobicContact CG2-CD2 4.19Å; V207-L209 HydrophobicContact CG2-CG 4.06Å; L209-L211 HydrophobicContact CB-CD1 4.24Å; L209-L211 HydrophobicContact CB-CD2 4.17Å; L209-L211 HydrophobicContact CB-CG 4.05Å; L209-L211 HydrophobicContact CD1-CD1 4.42Å; L209-G411 CarbonylContact O-C 3.34Å; L209-G411 WeakPolarHBondContact O-CA 3.19Å; L209-W412 HydrophobicContact CD1-CD2 4.08Å; L209-W412 HydrophobicContact CD1-CE3 3.91Å; L209-W412 HydrophobicContact CD1-CH2 3.16Å; L209-W412 HydrophobicContact CD1-CZ2 3.28Å; L209-W412 HydrophobicContact CD1-CZ3 3.47Å; L209-W412 VanDerWaalsContact CD1-CZ3 3.47Å; L209-W412 HydrophobicContact CG-CD2 4.36Å; L209-W412 HydrophobicContact CG-CH2 4.26Å; L209-W412 HydrophobicContact CG-CZ2 3.93Å; L209-W412 PolarHBondContact N-O 3.08Å; L209-W412 PolarHBondContact O-N 2.99Å; L209-W412 VanDerWaalsContact O-N 3.07Å
210E98.7Very high98.4Very high4 Ų427.1 Ų27.12%0.01916%0.158CC..EExtended strand (participates in β ladder)trans-105.898.5173.2-65.3-61.4155.900108.3F185 Y186 T187 G188 G405 Y415F185-E210 HydrophobicContact CE1-CG 4.14Å; F185-E210 HydrophobicContact CE2-CG 4.42Å; F185-E210 HydrophobicContact CZ-CG 3.66Å; Y186-E210 PolarHBondContact O-N 3.31Å; T187-E210 CarbonylContact C-O 3.5Å; T187-E210 VanDerWaalsContact CA-O 3.23Å; T187-E210 WeakPolarHBondContact CA-O 3.3Å; T187-E210 HydrophobicContact CG2-CB 3.78Å; T187-E210 WeakPolarHBondContact CG2-O 3.3Å; T187-E210 WeakPolarHBondContact OG1-CB 3.29Å; G188-E210 PolarHBondContact N-O 3.19Å; E210-G405 WeakPolarHBondContact OE1-CA 3.42Å; E210-G405 WeakPolarHBondContact OE2-CA 3.39Å; E210-Y415 HydrophobicContact CG-CD1 4.19Å; E210-Y415 HydrophobicContact CG-CE1 3.79Å; E210-Y415 WeakPolarHBondContact OE1-CD1 3.38Å
211L98.3Very high98.3Very high7 Ų728.9 Ų28.94%0.03718%0.177CC..EExtended strand (participates in β ladder)trans-112.8173.7-171.6-46.3177.2000111.4Y186 G188 Q190 A193 L209 L364 A409 S410Y186-L211 HydrophobicContact CD1-CD2 3.9Å; Y186-L211 HydrophobicContact CE1-CD2 3.65Å; G188-L211 WeakPolarHBondContact O-CA 3.38Å; G188-L211 VanDerWaalsContact O-CD2 3.31Å; G188-L211 WeakPolarHBondContact O-CD2 3.49Å; Q190-L211 HydrophobicContact CG-CB 4.17Å; Q190-L211 HydrophobicContact CG-CD1 4.11Å; A193-L211 HydrophobicContact CB-CD1 3.78Å; A193-L211 HydrophobicContact CB-CD2 3.48Å; A193-L211 VanDerWaalsContact CB-CD2 3.48Å; A193-L211 HydrophobicContact CB-CG 4.3Å; L209-L211 HydrophobicContact CB-CD1 4.24Å; L209-L211 HydrophobicContact CB-CD2 4.17Å; L209-L211 HydrophobicContact CB-CG 4.05Å; L209-L211 HydrophobicContact CD1-CD1 4.42Å; L211-L364 WeakPolarHBondContact O-CD2 3.38Å; L211-A409 WeakPolarHBondContact CD1-O 3.48Å; L211-S410 CarbonylContact C-O 3.23Å; L211-S410 WeakPolarHBondContact CA-O 3.36Å; L211-S410 WeakPolarHBondContact CB-O 3.36Å; L211-S410 PolarHBondContact N-O 2.7Å
212G95.3Very high98.2Very high2 Ų233.8 Ų33.82%0.02118%0.184CC..  trans-90.4-170.3176.200000113.7Q190 E336 S410Q190-G212 PolarHBondContact NE2-O 2.87Å; G212-E336 VanDerWaalsContact CA-OE1 3.32Å; G212-E336 WeakPolarHBondContact CA-OE1 3.37Å; G212-S410 WeakPolarHBondContact O-CA 3.44Å
213G95.8Very high98.1Very high12 Ų1230.1 Ų30.112%0.12416%0.16CC..  trans162.6171177.800000110C215 E336G213-C215 PolarHBondContact O-N 2.75Å; G213-C215 VanDerWaalsContact O-N 3.14Å; G213-E336 PolarHBondContact N-OE1 3.38Å; G213-E336 VanDerWaalsContact N-OE1 3.08Å
214K98.5Very high98.1Very high26 Ų2631.6 Ų31.611%0.11317%0.17CC..  trans-84.893.4-179.4-58.9-178.669.668.20109.7P216 D248 Y249 L332 M333 E335K214-P216 WeakPolarHBondContact O-CD 3.43Å; K214-D248 HydrophobicContact CB-CB 4.13Å; K214-D248 WeakPolarHBondContact CB-OD1 3.35Å; K214-D248 WeakPolarHBondContact CE-OD1 3.46Å; K214-D248 WeakPolarHBondContact CG-OD1 3.4Å; K214-D248 IonicContact NZ-OD1 3.27Å; K214-D248 PolarHBondContact NZ-OD1 2.88Å; K214-Y249 HydrophobicContact CB-CD1 4.03Å; K214-Y249 HydrophobicContact CB-CE1 3.72Å; K214-Y249 WeakPolarHBondContact O-CE1 3.42Å; K214-L332 PolarHBondContact NZ-O 3.36Å; K214-M333 WeakPolarHBondContact CE-O 3.07Å; K214-E335 PolarHBondContact NZ-O 2.93Å
215C98.8Very high98Very high0 Ų026 Ų260%014%0.141CC..  trans-68.8111.3179.3-63.50000111.1G213 C244 A246 D248 A365 Y367G213-C215 PolarHBondContact O-N 2.75Å; G213-C215 VanDerWaalsContact O-N 3.14Å; C215-C244 PolarHBondContact SG-O 3.09Å; C215-A246 WeakPolarHBondContact CB-O 3.4Å; C215-D248 PolarHBondContact O-N 3.35Å; C215-A365 WeakPolarHBondContact CA-O 3.19Å; C215-A365 HydrophobicContact CB-CB 4.39Å; C215-A365 VanDerWaalsContact CB-O 3.23Å; C215-A365 WeakPolarHBondContact CB-O 3.42Å; C215-A365 PolarHBondContact SG-N 3.23Å; C215-A365 PolarHBondContact SG-O 3.11Å; C215-A365 VanDerWaalsContact SG-O 3.38Å; C215-Y367 HydrophobicContact CB-CE2 4.36Å
216P98.8Very high98Very high0 Ų028.9 Ų28.90%015%0.153CC..EExtended strand (participates in β ladder)trans-78.2149.2-178.930.7-31.6000111.8K214 L218 Y249 V357 P363 L366 Y367K214-P216 WeakPolarHBondContact O-CD 3.43Å; P216-L218 HydrophobicContact CB-CD1 3.79Å; P216-L218 HydrophobicContact CG-CD1 4.29Å; P216-Y249 HydrophobicContact CB-CE1 3.93Å; P216-Y249 HydrophobicContact CB-CE2 3.97Å; P216-V357 HydrophobicContact CB-CG2 3.82Å; P216-V357 HydrophobicContact CG-CG1 4.08Å; P216-V357 HydrophobicContact CG-CG2 3.83Å; P216-P363 HydrophobicContact CG-CG 4.33Å; P216-L366 HydrophobicContact CG-CB 4.42Å; P216-L366 HydrophobicContact CG-CD1 3.77Å; P216-L366 HydrophobicContact CG-CG 3.86Å; P216-Y367 PolarHBondContact O-N 3.28Å
217C98.9Very high98Very high0 Ų027.3 Ų27.30%015%0.146CC..EExtended strand (participates in β ladder)trans-121.8107.8168.9-176.80000110.2P247 Y249 V250 L251 Y367 F369C217-P247 HydrophobicContact CB-CB 4.24Å; C217-Y249 PolarHBondContact N-O 3.19Å; C217-V250 HydrophobicContact CB-CG2 4.23Å; C217-V250 CarbonylContact O-C 3.36Å; C217-V250 VanDerWaalsContact O-CA 3.29Å; C217-V250 WeakPolarHBondContact O-CA 3.16Å; C217-L251 PolarHBondContact O-N 3.31Å; C217-Y367 WeakPolarHBondContact CA-O 3.34Å; C217-F369 WeakPolarHBondContact SG-CD1 3.21Å; C217-F369 VanDerWaalsContact SG-CE1 3.55Å
218L98.9Very high98Very high0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-93.2126.7-178.8-78.468.9000109.2P216 Y220 L251 L350 I354 V357 Y367 V368 F369 T379P216-L218 HydrophobicContact CB-CD1 3.79Å; P216-L218 HydrophobicContact CG-CD1 4.29Å; L218-Y220 HydrophobicContact CB-CD2 3.98Å; L218-Y220 HydrophobicContact CB-CE2 4.03Å; L218-Y220 HydrophobicContact CG-CE2 4.22Å; L218-L251 WeakPolarHBondContact CA-O 3.24Å; L218-L251 HydrophobicContact CD1-CD1 3.98Å; L218-L251 HydrophobicContact CG-CB 4.26Å; L218-L251 HydrophobicContact CG-CD1 4.18Å; L218-L350 HydrophobicContact CD2-CD1 3.91Å; L218-I354 HydrophobicContact CD2-CG1 4.21Å; L218-V357 HydrophobicContact CD1-CG2 4.11Å; L218-Y367 PolarHBondContact N-O 3.12Å; L218-V368 HydrophobicContact CB-CG2 4.31Å; L218-V368 CarbonylContact O-C 3.45Å; L218-V368 VanDerWaalsContact O-CA 3.27Å; L218-V368 WeakPolarHBondContact O-CA 3.28Å; L218-F369 PolarHBondContact O-N 3.11Å; L218-T379 HydrophobicContact CD2-CG2 3.92Å
219I98.8Very high98Very high1 Ų126.5 Ų26.51%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-126101.1-177.6-48.2-175.8000109I223 L232 V250 L251 C252 T256 L260 F369I219-I223 HydrophobicContact CG2-CD1 3.39Å; I219-I223 HydrophobicContact CG2-CG2 4.26Å; I219-L232 HydrophobicContact CD1-CD2 4.13Å; I219-V250 HydrophobicContact CD1-CG1 3.77Å; I219-V250 HydrophobicContact CG1-CG1 4.06Å; I219-L251 PolarHBondContact N-O 3.11Å; I219-C252 HydrophobicContact CB-CB 4.03Å; I219-C252 VanDerWaalsContact O-CB 3.28Å; I219-C252 WeakPolarHBondContact O-CB 3.41Å; I219-T256 HydrophobicContact CB-CG2 4.13Å; I219-T256 HydrophobicContact CG2-CG2 3.66Å; I219-L260 HydrophobicContact CD1-CD2 3.78Å; I219-F369 HydrophobicContact CB-CB 4.45Å; I219-F369 HydrophobicContact CG1-CB 4.14Å; I219-F369 HydrophobicContact CG2-CB 4.1Å
220Y98.6Very high98Very high9 Ų928.9 Ų28.94%0.03515%0.152CC..  trans-140.3156.3-170.2-72.4-85.4000112.9L218 L251 C252 T253 V347 L350 S353 F369 S370L218-Y220 HydrophobicContact CB-CD2 3.98Å; L218-Y220 HydrophobicContact CB-CE2 4.03Å; L218-Y220 HydrophobicContact CG-CE2 4.22Å; Y220-L251 HydrophobicContact CE2-CB 4.39Å; Y220-L251 VanDerWaalsContact CE2-O 3.28Å; Y220-L251 WeakPolarHBondContact CE2-O 3.31Å; Y220-C252 PolarHBondContact OH-N 2.73Å; Y220-T253 HydrophobicContact CD1-CG2 3.97Å; Y220-T253 HydrophobicContact CE1-CG2 3.89Å; Y220-V347 WeakPolarHBondContact CE1-O 3.32Å; Y220-V347 PolarHBondContact OH-O 3.45Å; Y220-L350 HydrophobicContact CD1-CB 4.23Å; Y220-L350 HydrophobicContact CD2-CD1 3.6Å; Y220-L350 HydrophobicContact CE2-CD1 4.11Å; Y220-L350 HydrophobicContact CG-CB 4.24Å; Y220-L350 HydrophobicContact CG-CD1 3.94Å; Y220-S353 PolarHBondContact OH-OG 3.02Å; Y220-F369 PolarHBondContact N-O 3.01Å; Y220-S370 VanDerWaalsContact O-CB 3.25Å; Y220-S370 WeakPolarHBondContact O-CB 3.43Å; Y220-S370 PolarHBondContact O-OG 2.68Å
221G96.2Very high98Very high41 Ų4133.5 Ų33.542%0.42317%0.17SC..SBendtrans68.5-156.5179.300000112.7I223 E372G221-I223 PolarHBondContact O-N 2.89Å; G221-E372 WeakPolarHBondContact CA-OE1 3.32Å
222R97Very high98Very high175 Ų17533.2 Ų33.266%0.6617%0.168SC*.SBendtrans-68.5130.1175.8-67.1-179.2-59.6-161.73.6110.9D371 E372R222-D371 WeakPolarHBondContact O-CB 3.34Å; R222-D371 PolarHBondContact O-N 2.83Å; R222-E372 HydrophobicContact CB-CG 4.38Å; R222-E372 WeakPolarHBondContact CG-OE1 3.44Å; R222-E372 PolarHBondContact N-OE1 3.09Å; R222-E372 IonicContact NE-OE1 3.45Å
223I96.4Very high98.2Very high33 Ų3333.1 Ų33.117%0.16917%0.167CC..  trans-147.9145.4-175.954.1-173.8000110.5I219 G221 I225 T256 F369I219-I223 HydrophobicContact CG2-CD1 3.39Å; I219-I223 HydrophobicContact CG2-CG2 4.26Å; G221-I223 PolarHBondContact O-N 2.89Å; I223-I225 HydrophobicContact CD1-CD1 3.39Å; I223-I225 HydrophobicContact CD1-CG1 4.34Å; I223-I225 HydrophobicContact CG1-CD1 3.77Å; I223-I225 HydrophobicContact CG1-CG1 4.2Å; I223-I225 PolarHBondContact O-N 3.08Å; I223-T256 HydrophobicContact CD1-CG2 3.64Å; I223-F369 WeakPolarHBondContact CG2-O 3.27Å
224N97.6Very high98.3Very high96 Ų9636 Ų3651%0.51317%0.174SC..  trans-80.196.9160.6-176.5-24.6000109.5Q226 A227 A228N224-Q226 VanDerWaalsContact C-N 3.28Å; N224-Q226 PolarHBondContact O-N 2.96Å; N224-Q226 PolarHBondContact OD1-N 3.18Å; N224-A227 HydrophobicContact CB-CB 4.02Å; N224-A227 PolarHBondContact O-N 2.89Å; N224-A227 PolarHBondContact OD1-N 3.24Å; N224-A227 VanDerWaalsContact OD1-N 3.07Å; N224-A228 WeakPolarHBondContact O-CB 3.4Å; N224-A228 PolarHBondContact O-N 3.21Å
225I98.3Very high98.3Very high39 Ų3934.8 Ų34.820%0.217%0.169CC..Hα-helixtrans-53.8-43.8-178-67.5-71.6000112.1I223 A228 A229 T256 A259 A263I223-I225 HydrophobicContact CD1-CD1 3.39Å; I223-I225 HydrophobicContact CD1-CG1 4.34Å; I223-I225 HydrophobicContact CG1-CD1 3.77Å; I223-I225 HydrophobicContact CG1-CG1 4.2Å; I223-I225 PolarHBondContact O-N 3.08Å; I225-A228 PolarHBondContact O-N 2.98Å; I225-A229 WeakPolarHBondContact O-CB 3.43Å; I225-A229 PolarHBondContact O-N 3.23Å; I225-T256 HydrophobicContact CD1-CG2 4.38Å; I225-A259 HydrophobicContact CD1-CB 3.98Å; I225-A259 HydrophobicContact CG1-CB 4.13Å; I225-A259 HydrophobicContact CG2-CB 4.46Å; I225-A263 HydrophobicContact CG2-CB 3.76Å
226Q98.1Very high98.3Very high75 Ų7534.9 Ų34.935%0.3517%0.169SC..Hα-helixtrans-67.4-44.9-176.9-170.663.512.400111N224 A229 H230N224-Q226 VanDerWaalsContact C-N 3.28Å; N224-Q226 PolarHBondContact O-N 2.96Å; N224-Q226 PolarHBondContact OD1-N 3.18Å; Q226-A229 PolarHBondContact O-N 2.89Å; Q226-H230 PolarHBondContact NE2-CE1 2.96Å; Q226-H230 PolarHBondContact O-N 3.34Å; Q226-H230 VanDerWaalsContact O-N 3.1Å; Q226-H230 PolarHBondContact O-ND1 3.31Å
227A98.3Very high98.3Very high31 Ų3134.9 Ų34.926%0.25617%0.17SC..Hα-helixtrans-65.2-39.6176.700000112.1N224 A229 H230 R231N224-A227 HydrophobicContact CB-CB 4.02Å; N224-A227 PolarHBondContact O-N 2.89Å; N224-A227 PolarHBondContact OD1-N 3.24Å; N224-A227 VanDerWaalsContact OD1-N 3.07Å; A227-A229 VanDerWaalsContact C-N 3.35Å; A227-H230 PolarHBondContact O-N 3.45Å; A227-R231 WeakPolarHBondContact O-CG 3.41Å; A227-R231 PolarHBondContact O-N 2.86Å; A227-R231 VanDerWaalsContact O-N 3.15Å
228A98.6Very high98.3Very high5 Ų535.3 Ų35.34%0.04117%0.171CC..Hα-helixtrans-61.4-43.3174.900000111.5N224 I225 R231 L232 F369N224-A228 WeakPolarHBondContact O-CB 3.4Å; N224-A228 PolarHBondContact O-N 3.21Å; I225-A228 PolarHBondContact O-N 2.98Å; A228-R231 PolarHBondContact O-N 3.23Å; A228-L232 WeakPolarHBondContact O-CB 3.39Å; A228-L232 PolarHBondContact O-N 3.2Å; A228-F369 HydrophobicContact CB-CD2 3.76Å; A228-F369 HydrophobicContact CB-CE2 4.34Å
229A98.8Very high98.3Very high0 Ų035.3 Ų35.30%017%0.171CC..Hα-helixtrans-60.4-47.3176.200000112.1I225 Q226 A227 R231 L232 V233 L260 A263 L264 V267I225-A229 WeakPolarHBondContact O-CB 3.43Å; I225-A229 PolarHBondContact O-N 3.23Å; Q226-A229 PolarHBondContact O-N 2.89Å; A227-A229 VanDerWaalsContact C-N 3.35Å; A229-R231 PolarHBondContact O-N 2.88Å; A229-L232 PolarHBondContact O-N 3.27Å; A229-V233 WeakPolarHBondContact O-CB 3.46Å; A229-V233 WeakPolarHBondContact O-CG2 3.5Å; A229-V233 PolarHBondContact O-N 3.47Å; A229-L260 HydrophobicContact CB-CD1 4.1Å; A229-A263 HydrophobicContact CB-CB 3.68Å; A229-L264 HydrophobicContact CB-CD2 4.04Å; A229-V267 HydrophobicContact CB-CG2 4.05Å
230H98.7Very high98.2Very high50 Ų5035.4 Ų35.423%0.23117%0.172CC..Hα-helixtrans-55.8-52.4176.8-75.391.6000112.6Q226 A227 W234 E270 F271Q226-H230 PolarHBondContact NE2-CE1 2.96Å; Q226-H230 PolarHBondContact O-N 3.34Å; Q226-H230 VanDerWaalsContact O-N 3.1Å; Q226-H230 PolarHBondContact O-ND1 3.31Å; A227-H230 PolarHBondContact O-N 3.45Å; H230-W234 WeakPolarHBondContact O-CB 3.19Å; H230-W234 PolarHBondContact O-N 2.9Å; H230-E270 IonicContact NE2-OE1 3.96Å; H230-E270 IonicContact NE2-OE2 3.75Å; H230-E270 PolarHBondContact NE2-OE2 2.96Å; H230-F271 AromaticContact CD2-CE1 3.89Å; H230-F271 AromaticContact CD2-CZ 3.95Å
231R98.8Very high98.2Very high101 Ų10135 Ų3538%0.38117%0.171SC..Hα-helixtrans-66.8-40.9-177-68.3178.8177.5158.11.3111.8A227 A228 A229 A235 F369 N391 D392A227-R231 WeakPolarHBondContact O-CG 3.41Å; A227-R231 PolarHBondContact O-N 2.86Å; A227-R231 VanDerWaalsContact O-N 3.15Å; A228-R231 PolarHBondContact O-N 3.23Å; A229-R231 PolarHBondContact O-N 2.88Å; R231-A235 VanDerWaalsContact O-CB 3.22Å; R231-A235 WeakPolarHBondContact O-CB 3.19Å; R231-A235 PolarHBondContact O-N 3.46Å; R231-F369 HydrophobicContact CB-CE2 3.89Å; R231-F369 HydrophobicContact CB-CZ 4.13Å; R231-N391 WeakPolarHBondContact CD-O 3.33Å; R231-N391 PolarHBondContact NE-O 3.23Å; R231-N391 PolarHBondContact NH1-O 3.35Å; R231-D392 IonicContact NE-OD2 2.81Å
232L98.9Very high98.4Very high1 Ų133.1 Ų33.11%0.00515%0.151CC..Hα-helixtrans-66.6-44.8177.7178.358.4000112I219 A228 A229 A235 K236 P247 V250 L260 L264 L342I219-L232 HydrophobicContact CD1-CD2 4.13Å; A228-L232 WeakPolarHBondContact O-CB 3.39Å; A228-L232 PolarHBondContact O-N 3.2Å; A229-L232 PolarHBondContact O-N 3.27Å; L232-A235 PolarHBondContact O-N 2.85Å; L232-K236 WeakPolarHBondContact O-CB 3.1Å; L232-K236 PolarHBondContact O-N 2.88Å; L232-P247 HydrophobicContact CD1-CB 3.69Å; L232-P247 HydrophobicContact CD1-CG 3.86Å; L232-V250 HydrophobicContact CD1-CG2 4.26Å; L232-V250 HydrophobicContact CD2-CG2 3.77Å; L232-L260 HydrophobicContact CD2-CD2 4.26Å; L232-L264 HydrophobicContact CD2-CD2 4.21Å; L232-L342 HydrophobicContact CD1-CD2 4.38Å; L232-L342 HydrophobicContact CD2-CD2 4.13Å; L232-L342 HydrophobicContact CG-CD2 4.16Å
233V98.8Very high98.4Very high0 Ų025 Ų250%012%0.121CC..Hα-helixtrans-61.8-49.8176.4169.90000109.9A229 A235 K236 Y237 L264 V267 L268 F271A229-V233 WeakPolarHBondContact O-CB 3.46Å; A229-V233 WeakPolarHBondContact O-CG2 3.5Å; A229-V233 PolarHBondContact O-N 3.47Å; V233-A235 PolarHBondContact O-N 2.97Å; V233-K236 PolarHBondContact O-N 3.24Å; V233-Y237 HydrophobicContact CB-CD2 4.26Å; V233-Y237 HydrophobicContact CG1-CD2 3.75Å; V233-Y237 HydrophobicContact CG1-CE2 4.26Å; V233-Y237 HydrophobicContact CG2-CE2 4.39Å; V233-Y237 WeakPolarHBondContact O-CD2 3.33Å; V233-Y237 PolarHBondContact O-N 2.94Å; V233-L264 HydrophobicContact CG2-CD2 3.53Å; V233-V267 HydrophobicContact CB-CG1 3.73Å; V233-V267 HydrophobicContact CG1-CG1 3.83Å; V233-V267 HydrophobicContact CG2-CB 4.19Å; V233-V267 HydrophobicContact CG2-CG1 3.87Å; V233-L268 HydrophobicContact CG1-CD2 3.61Å; V233-L268 HydrophobicContact CG1-CG 4.03Å; V233-L268 HydrophobicContact CG2-CG 4.2Å; V233-F271 HydrophobicContact CB-CE2 4.26Å; V233-F271 HydrophobicContact CG1-CD2 3.6Å; V233-F271 HydrophobicContact CG1-CE2 3.81Å
234W98.7Very high98.5Very high73 Ų7324.3 Ų24.328%0.27712%0.119SC..Hα-helixtrans-56.1-54.5177177.677.3000110.9H230 K236 Y237 F238 F271 G393 I394 V395H230-W234 WeakPolarHBondContact O-CB 3.19Å; H230-W234 PolarHBondContact O-N 2.9Å; W234-K236 VanDerWaalsContact C-N 3.29Å; W234-K236 PolarHBondContact O-N 3.24Å; W234-Y237 PolarHBondContact O-N 3.36Å; W234-F238 HydrophobicContact CZ2-CD2 4.23Å; W234-F238 HydrophobicContact CZ2-CE2 4.38Å; W234-F238 AromaticContact NE1-CD2 3.67Å; W234-F238 WeakPolarHBondContact O-CB 3.41Å; W234-F238 PolarHBondContact O-N 3.41Å; W234-F271 HydrophobicContact CB-CE2 4.06Å; W234-G393 WeakPolarHBondContact CZ3-O 3.46Å; W234-I394 HydrophobicContact CH2-CB 4.22Å; W234-I394 HydrophobicContact CH2-CG2 4.36Å; W234-I394 HydrophobicContact CZ3-CB 4.02Å; W234-V395 HydrophobicContact CH2-CG1 4.08Å; W234-V395 HydrophobicContact CZ3-CG1 3.95Å
235A98.6Very high98.5Very high0 Ų020 Ų200%010%0.097CC..Hα-helixtrans-62.8-32.7-178.300000113.7R231 L232 V233 P247 I394R231-A235 VanDerWaalsContact O-CB 3.22Å; R231-A235 WeakPolarHBondContact O-CB 3.19Å; R231-A235 PolarHBondContact O-N 3.46Å; L232-A235 PolarHBondContact O-N 2.85Å; V233-A235 PolarHBondContact O-N 2.97Å; A235-P247 HydrophobicContact CB-CG 3.87Å; A235-P247 WeakPolarHBondContact O-CD 3.34Å; A235-I394 HydrophobicContact CB-CD1 4.26Å; A235-I394 HydrophobicContact CB-CG1 4.09Å; A235-I394 WeakPolarHBondContact O-CD1 3.17Å
236K98.8Very high98.6Very high2 Ų218.5 Ų18.51%0.0099%0.089CC..Hα-helixtrans-76.9-44.2179.8175.558.6177.4-174.50112.7L232 V233 W234 G241 P247 G339 I341 L342L232-K236 WeakPolarHBondContact O-CB 3.1Å; L232-K236 PolarHBondContact O-N 2.88Å; V233-K236 PolarHBondContact O-N 3.24Å; W234-K236 VanDerWaalsContact C-N 3.29Å; W234-K236 PolarHBondContact O-N 3.24Å; K236-G241 WeakPolarHBondContact O-CA 3.44Å; K236-G241 PolarHBondContact O-N 3.17Å; K236-P247 WeakPolarHBondContact CD-O 3.3Å; K236-P247 PolarHBondContact NZ-O 2.92Å; K236-P247 VanDerWaalsContact NZ-O 3.11Å; K236-G339 VanDerWaalsContact CE-O 3.28Å; K236-G339 WeakPolarHBondContact CE-O 3.5Å; K236-G339 PolarHBondContact NZ-O 2.94Å; K236-I341 WeakPolarHBondContact CE-O 3.41Å; K236-I341 PolarHBondContact NZ-O 2.86Å; K236-L342 HydrophobicContact CD-CB 4.37Å; K236-L342 HydrophobicContact CD-CD1 4.03Å; K236-L342 HydrophobicContact CG-CB 4.18Å; K236-L342 HydrophobicContact CG-CD1 4.28Å; K236-L342 HydrophobicContact CG-CD2 4.41Å
237Y98.8Very high98.6Very high1 Ų115 Ų150%0.0047%0.073CC..Hα-helixtrans-102.1-6.5-167.1-58.9-71000113.4V233 W234 N239 A240 L268 P320 T321 V322 P340V233-Y237 HydrophobicContact CB-CD2 4.26Å; V233-Y237 HydrophobicContact CG1-CD2 3.75Å; V233-Y237 HydrophobicContact CG1-CE2 4.26Å; V233-Y237 HydrophobicContact CG2-CE2 4.39Å; V233-Y237 WeakPolarHBondContact O-CD2 3.33Å; V233-Y237 PolarHBondContact O-N 2.94Å; W234-Y237 PolarHBondContact O-N 3.36Å; Y237-N239 PolarHBondContact O-N 2.83Å; Y237-A240 VanDerWaalsContact O-CA 3.29Å; Y237-A240 WeakPolarHBondContact O-CA 3.47Å; Y237-A240 PolarHBondContact O-N 2.66Å; Y237-L268 HydrophobicContact CD2-CD2 3.77Å; Y237-L268 HydrophobicContact CE2-CD1 4.31Å; Y237-L268 HydrophobicContact CE2-CD2 3.75Å; Y237-L268 HydrophobicContact CE2-CG 4.43Å; Y237-L268 HydrophobicContact CG-CD2 4.41Å; Y237-P320 HydrophobicContact CD1-CB 3.63Å; Y237-P320 HydrophobicContact CD1-CG 4.15Å; Y237-P320 HydrophobicContact CD2-CB 4.37Å; Y237-P320 HydrophobicContact CE1-CB 3.48Å; Y237-P320 VanDerWaalsContact CE1-CB 3.48Å; Y237-P320 HydrophobicContact CE1-CG 4.45Å; Y237-P320 HydrophobicContact CE2-CB 4.24Å; Y237-P320 HydrophobicContact CG-CB 4.08Å; Y237-P320 HydrophobicContact CG-CG 4.46Å; Y237-T321 PolarHBondContact OH-O 3.49Å; Y237-V322 VanDerWaalsContact OH-CG2 3.29Å; Y237-V322 WeakPolarHBondContact OH-CG2 3.45Å; Y237-P340 HydrophobicContact CD1-CB 3.78Å; Y237-P340 HydrophobicContact CE1-CB 4.05Å; Y237-P340 WeakPolarHBondContact CE1-O 3.38Å
238F98.4Very high98.6Very high8 Ų813.8 Ų13.84%0.0356%0.062CC..G310 helixtrans-53.3130.1166.1-166.9-96.8000110.7E58 Y116 W234 A240 G241 I394E58-F238 HydrophobicContact CB-CE2 3.77Å; E58-F238 HydrophobicContact CB-CZ 3.76Å; E58-F238 HydrophobicContact CG-CD2 3.9Å; E58-F238 HydrophobicContact CG-CE2 3.44Å; E58-F238 VanDerWaalsContact CG-CE2 3.44Å; E58-F238 HydrophobicContact CG-CZ 3.97Å; E58-F238 WeakPolarHBondContact OE1-CA 3.29Å; E58-F238 WeakPolarHBondContact OE1-CD2 3.42Å; Y116-F238 HydrophobicContact CE1-CD1 4.49Å; Y116-F238 AromaticContact CE1-CE1 3.95Å; Y116-F238 HydrophobicContact CE1-CE1 3.95Å; Y116-F238 WeakPolarHBondContact OH-CD1 3.24Å; W234-F238 HydrophobicContact CZ2-CD2 4.23Å; W234-F238 HydrophobicContact CZ2-CE2 4.38Å; W234-F238 AromaticContact NE1-CD2 3.67Å; W234-F238 WeakPolarHBondContact O-CB 3.41Å; W234-F238 PolarHBondContact O-N 3.41Å; F238-A240 PolarHBondContact O-N 3.08Å; F238-G241 PolarHBondContact O-N 3.25Å; F238-I394 HydrophobicContact CB-CD1 4.43Å
239N98.6Very high98.6Very high0 Ų013.7 Ų13.70%06%0.061CC..G310 helixtrans54.131.8-172-162.633.7000114K54 E58 N115 Y116 Y237 G241 Q242K54-N239 WeakPolarHBondContact CE-OD1 3.49Å; E58-N239 PolarHBondContact OE1-N 3Å; E58-N239 PolarHBondContact OE2-N 3.42Å; E58-N239 VanDerWaalsContact OE2-N 3.09Å; N115-N239 PolarHBondContact O-ND2 2.77Å; Y116-N239 HydrophobicContact CE1-CB 4.3Å; Y116-N239 WeakPolarHBondContact OH-CB 3.41Å; Y237-N239 PolarHBondContact O-N 2.83Å; N239-G241 PolarHBondContact O-N 3.14Å; N239-Q242 PolarHBondContact ND2-O 2.63Å; N239-Q242 WeakPolarHBondContact O-CB 3.31Å; N239-Q242 PolarHBondContact O-N 3.28Å; N239-Q242 VanDerWaalsContact O-N 3.16Å; N239-Q242 PolarHBondContact O-NE2 2.81Å; N239-Q242 VanDerWaalsContact O-NE2 3.09Å
240A98.6Very high98.6Very high3 Ų313.7 Ų13.73%0.0256%0.061CC..G310 helixtrans54.332.4-172.900000113.5Y237 F238 Q242 I285 G339 P340Y237-A240 VanDerWaalsContact O-CA 3.29Å; Y237-A240 WeakPolarHBondContact O-CA 3.47Å; Y237-A240 PolarHBondContact O-N 2.66Å; F238-A240 PolarHBondContact O-N 3.08Å; A240-Q242 PolarHBondContact O-N 3.14Å; A240-I285 HydrophobicContact CB-CD1 4.47Å; A240-G339 CarbonylContact O-C 3.28Å; A240-G339 VanDerWaalsContact O-C 3.23Å; A240-G339 WeakPolarHBondContact O-CA 3.47Å; A240-P340 WeakPolarHBondContact O-CD 3.5Å; A240-P340 VanDerWaalsContact O-N 3.12Å
241G98.4Very high98.6Very high1 Ų111.3 Ų11.31%0.015%0.05CC..G310 helixtrans7310.5179.500000115.5K236 F238 N239 S243 F338 G339K236-G241 WeakPolarHBondContact O-CA 3.44Å; K236-G241 PolarHBondContact O-N 3.17Å; F238-G241 PolarHBondContact O-N 3.25Å; N239-G241 PolarHBondContact O-N 3.14Å; G241-S243 PolarHBondContact O-N 3.27Å; G241-F338 CarbonylContact O-C 3.57Å; G241-G339 PolarHBondContact O-N 2.89Å; G241-G339 VanDerWaalsContact O-N 3.17Å
242Q98.8Very high98.6Very high1 Ų16.5 Ų6.51%0.0053%0.032CC..  trans-81.460176.3-60.6169.3113.700110.5W114 N115 N239 A240 R284 F338W114-Q242 HydrophobicContact CH2-CB 4.07Å; W114-Q242 HydrophobicContact CH2-CG 4.12Å; W114-Q242 HydrophobicContact CZ3-CB 3.98Å; W114-Q242 HydrophobicContact CZ3-CG 4.19Å; N115-Q242 HydrophobicContact CB-CB 4.42Å; N115-Q242 VanDerWaalsContact CB-O 3.28Å; N115-Q242 WeakPolarHBondContact CB-O 3.44Å; N115-Q242 PolarHBondContact ND2-O 3.04Å; N239-Q242 PolarHBondContact ND2-O 2.63Å; N239-Q242 WeakPolarHBondContact O-CB 3.31Å; N239-Q242 PolarHBondContact O-N 3.28Å; N239-Q242 VanDerWaalsContact O-N 3.16Å; N239-Q242 PolarHBondContact O-NE2 2.81Å; N239-Q242 VanDerWaalsContact O-NE2 3.09Å; A240-Q242 PolarHBondContact O-N 3.14Å; Q242-R284 PolarHBondContact NE2-O 3.07Å; Q242-F338 HydrophobicContact CB-CD1 3.94Å; Q242-F338 HydrophobicContact CB-CE1 3.83Å; Q242-F338 HydrophobicContact CG-CD1 4.34Å
243S98.3Very high98.6Very high4 Ų47.7 Ų7.73%0.0284%0.039CC..  trans-138132.8-177.7-51.50000111.1Y116 G241 V245 A246Y116-S243 WeakPolarHBondContact CE2-OG 3.35Å; Y116-S243 PolarHBondContact OH-OG 3.2Å; G241-S243 PolarHBondContact O-N 3.27Å; S243-V245 PolarHBondContact O-N 3.43Å; S243-V245 VanDerWaalsContact O-N 3.1Å; S243-A246 WeakPolarHBondContact O-CB 3.38Å; S243-A246 PolarHBondContact O-N 3.29Å
244C97.9Very high98.6Very high19 Ų1912.8 Ų12.813%0.1286%0.062CC..THydrogen-bonded Turntrans-63.1-20179.4-520000112.8C215 F338 L364C215-C244 PolarHBondContact SG-O 3.09Å; C244-F338 HydrophobicContact CB-CE2 4.39Å; C244-F338 VanDerWaalsContact N-CE2 3.34Å; C244-L364 HydrophobicContact CB-CD2 3.52Å
245V98.3Very high98.6Very high7 Ų712.9 Ų12.94%0.0428%0.078CC..THydrogen-bonded Turntrans-106.95177.3-630000112.8S243 L364 A365 Y367 I394 M397 F404S243-V245 PolarHBondContact O-N 3.43Å; S243-V245 VanDerWaalsContact O-N 3.1Å; V245-L364 HydrophobicContact CG1-CD2 3.6Å; V245-L364 HydrophobicContact CG1-CG 3.97Å; V245-A365 HydrophobicContact CB-CB 4.19Å; V245-A365 HydrophobicContact CG1-CB 4.14Å; V245-Y367 VanDerWaalsContact O-CE2 3.29Å; V245-Y367 WeakPolarHBondContact O-CE2 3.45Å; V245-Y367 PolarHBondContact O-OH 2.89Å; V245-I394 HydrophobicContact CG2-CG1 4.1Å; V245-I394 HydrophobicContact CG2-CG2 4.39Å; V245-M397 HydrophobicContact CG2-SD 3.75Å; V245-F404 HydrophobicContact CG1-CE2 3.83Å; V245-F404 HydrophobicContact CG1-CZ 4.1Å
246A98.6Very high98.6Very high6 Ų613.6 Ų13.65%0.058%0.082CC..SBendtrans-63.3141.5174.100000109.2C215 S243 D248C215-A246 WeakPolarHBondContact CB-O 3.4Å; S243-A246 WeakPolarHBondContact O-CB 3.38Å; S243-A246 PolarHBondContact O-N 3.29Å; A246-D248 PolarHBondContact O-N 2.83Å
247P98.7Very high98.5Very high2 Ų214.9 Ų14.91%0.0139%0.087CC..  trans-52114166.4-25.735.4000109.5C217 L232 A235 K236 Y367C217-P247 HydrophobicContact CB-CB 4.24Å; L232-P247 HydrophobicContact CD1-CB 3.69Å; L232-P247 HydrophobicContact CD1-CG 3.86Å; A235-P247 HydrophobicContact CB-CG 3.87Å; A235-P247 WeakPolarHBondContact O-CD 3.34Å; K236-P247 WeakPolarHBondContact CD-O 3.3Å; K236-P247 PolarHBondContact NZ-O 2.92Å; K236-P247 VanDerWaalsContact NZ-O 3.11Å; P247-Y367 HydrophobicContact CB-CD2 4.44Å; P247-Y367 HydrophobicContact CG-CD2 3.99Å; P247-Y367 HydrophobicContact CG-CE2 4.03Å
248D98.8Very high98.5Very high5 Ų518.7 Ų18.73%0.02711%0.107CC..  trans-86.3-37.6-174.9-170-93.3000110K214 C215 A246 I337 P343K214-D248 HydrophobicContact CB-CB 4.13Å; K214-D248 WeakPolarHBondContact CB-OD1 3.35Å; K214-D248 WeakPolarHBondContact CE-OD1 3.46Å; K214-D248 WeakPolarHBondContact CG-OD1 3.4Å; K214-D248 IonicContact NZ-OD1 3.27Å; K214-D248 PolarHBondContact NZ-OD1 2.88Å; C215-D248 PolarHBondContact O-N 3.35Å; A246-D248 PolarHBondContact O-N 2.83Å; D248-I337 WeakPolarHBondContact O-CD1 3.41Å; D248-I337 WeakPolarHBondContact OD2-CB 3.35Å; D248-I337 PolarHBondContact OD2-N 2.85Å; D248-P343 WeakPolarHBondContact O-CD 3.47Å
249Y98.9Very high98.5Very high3 Ų320.5 Ų20.51%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-150.6159.1175.665.7-80.7000112K214 P216 C217 L251 M333 P343 L345 L356K214-Y249 HydrophobicContact CB-CD1 4.03Å; K214-Y249 HydrophobicContact CB-CE1 3.72Å; K214-Y249 WeakPolarHBondContact O-CE1 3.42Å; P216-Y249 HydrophobicContact CB-CE1 3.93Å; P216-Y249 HydrophobicContact CB-CE2 3.97Å; C217-Y249 PolarHBondContact N-O 3.19Å; Y249-L251 HydrophobicContact CD2-CD2 4.39Å; Y249-L251 HydrophobicContact CD2-CG 4.03Å; Y249-L251 HydrophobicContact CE2-CD1 3.77Å; Y249-L251 HydrophobicContact CE2-CD2 4.16Å; Y249-L251 HydrophobicContact CE2-CG 3.76Å; Y249-M333 HydrophobicContact CD1-CE 3.93Å; Y249-M333 HydrophobicContact CD1-SD 4.39Å; Y249-M333 HydrophobicContact CD2-CE 3.5Å; Y249-M333 VanDerWaalsContact CD2-CE 3.5Å; Y249-M333 HydrophobicContact CD2-SD 4.3Å; Y249-M333 HydrophobicContact CE1-CE 4.09Å; Y249-M333 HydrophobicContact CE2-CE 3.62Å; Y249-M333 HydrophobicContact CG-CE 3.64Å; Y249-M333 HydrophobicContact CG-SD 3.99Å; Y249-P343 WeakPolarHBondContact CA-O 3.2Å; Y249-L345 HydrophobicContact CD2-CD1 4.15Å; Y249-L356 HydrophobicContact CE2-CD2 4.2Å
250V98.9Very high98.5Very high0 Ų020.5 Ų20.50%012%0.123CC..EExtended strand (participates in β ladder)trans-109.4139.9176.7175.40000110.6C217 I219 L232 C252 L342 P343 I344 L345C217-V250 HydrophobicContact CB-CG2 4.23Å; C217-V250 CarbonylContact O-C 3.36Å; C217-V250 VanDerWaalsContact O-CA 3.29Å; C217-V250 WeakPolarHBondContact O-CA 3.16Å; I219-V250 HydrophobicContact CD1-CG1 3.77Å; I219-V250 HydrophobicContact CG1-CG1 4.06Å; L232-V250 HydrophobicContact CD1-CG2 4.26Å; L232-V250 HydrophobicContact CD2-CG2 3.77Å; V250-C252 HydrophobicContact CG1-CB 4.29Å; V250-L342 HydrophobicContact CG2-CD1 4.05Å; V250-L342 HydrophobicContact CG2-CD2 4.34Å; V250-L342 HydrophobicContact CG2-CG 4.35Å; V250-P343 PolarHBondContact N-O 2.93Å; V250-I344 HydrophobicContact CB-CB 4.42Å; V250-I344 HydrophobicContact CB-CG1 4.13Å; V250-I344 HydrophobicContact CB-CG2 4.22Å; V250-I344 HydrophobicContact CG1-CG2 4.12Å; V250-L345 PolarHBondContact O-N 3.29Å
251L98.9Very high98.5Very high0 Ų021.6 Ų21.60%013%0.13CC..EExtended strand (participates in β ladder)trans-117.6121.6168.5-66.8166.1000108.6C217 L218 I219 Y220 Y249 L345 V347 L356 V357C217-L251 PolarHBondContact O-N 3.31Å; L218-L251 WeakPolarHBondContact CA-O 3.24Å; L218-L251 HydrophobicContact CD1-CD1 3.98Å; L218-L251 HydrophobicContact CG-CB 4.26Å; L218-L251 HydrophobicContact CG-CD1 4.18Å; I219-L251 PolarHBondContact N-O 3.11Å; Y220-L251 HydrophobicContact CE2-CB 4.39Å; Y220-L251 VanDerWaalsContact CE2-O 3.28Å; Y220-L251 WeakPolarHBondContact CE2-O 3.31Å; Y249-L251 HydrophobicContact CD2-CD2 4.39Å; Y249-L251 HydrophobicContact CD2-CG 4.03Å; Y249-L251 HydrophobicContact CE2-CD1 3.77Å; Y249-L251 HydrophobicContact CE2-CD2 4.16Å; Y249-L251 HydrophobicContact CE2-CG 3.76Å; L251-L345 HydrophobicContact CD2-CB 3.79Å; L251-L345 HydrophobicContact CD2-CD2 4.37Å; L251-V347 HydrophobicContact CD2-CG2 3.85Å; L251-L356 HydrophobicContact CD1-CD2 4.42Å; L251-L356 HydrophobicContact CD2-CD1 4.1Å; L251-L356 HydrophobicContact CD2-CD2 4.45Å; L251-V357 HydrophobicContact CD1-CG2 3.83Å
252C98.7Very high98.5Very high0 Ų024.7 Ų24.70%015%0.15CC..EExtended strand (participates in β ladder)trans-157167.8178.166.30000112.6I219 Y220 V250 T256 L345 T346 V347I219-C252 HydrophobicContact CB-CB 4.03Å; I219-C252 VanDerWaalsContact O-CB 3.28Å; I219-C252 WeakPolarHBondContact O-CB 3.41Å; Y220-C252 PolarHBondContact OH-N 2.73Å; V250-C252 HydrophobicContact CG1-CB 4.29Å; C252-T256 HydrophobicContact CB-CG2 3.67Å; C252-L345 PolarHBondContact N-O 3Å; C252-T346 CarbonylContact O-C 3.49Å; C252-T346 VanDerWaalsContact O-CA 3.29Å; C252-T346 WeakPolarHBondContact O-CA 3.29Å; C252-V347 CarbonylContact C-O 3.46Å; C252-V347 PolarHBondContact O-N 3.03Å
253T98.6Very high98.5Very high26 Ų2625 Ų2516%0.1615%0.153CC..  trans-66.7161173.273.30000111.7Y220 A255 T256 R257 V347Y220-T253 HydrophobicContact CD1-CG2 3.97Å; Y220-T253 HydrophobicContact CE1-CG2 3.89Å; T253-A255 VanDerWaalsContact C-N 3.28Å; T253-A255 PolarHBondContact O-N 3.33Å; T253-T256 PolarHBondContact O-N 3.32Å; T253-T256 WeakPolarHBondContact OG1-CB 3.47Å; T253-T256 PolarHBondContact OG1-N 3.39Å; T253-T256 VanDerWaalsContact OG1-N 3.09Å; T253-T256 PolarHBondContact OG1-OG1 2.96Å; T253-R257 PolarHBondContact O-N 3.42Å; T253-V347 PolarHBondContact N-O 3.02Å
254K98.1Very high98.5Very high108 Ų10824.8 Ų24.847%0.4715%0.151SC..Hα-helixtrans-57.7-42.9175.5-173.8176.1176.7178.90112.2T256 R257 D258 T346 E348K254-T256 VanDerWaalsContact C-N 3.34Å; K254-T256 PolarHBondContact O-N 2.94Å; K254-R257 WeakPolarHBondContact O-CB 3.47Å; K254-R257 PolarHBondContact O-N 3.35Å; K254-D258 WeakPolarHBondContact O-CB 3.47Å; K254-D258 VanDerWaalsContact O-CG 3.23Å; K254-D258 PolarHBondContact O-N 3.46Å; K254-T346 HydrophobicContact CB-CG2 3.74Å; K254-E348 WeakPolarHBondContact CB-OE1 3.47Å; K254-E348 PolarHBondContact N-OE1 2.89Å
255A98.3Very high98.6Very high74 Ų7426.5 Ų26.561%0.61216%0.161SC*.Hα-helixtrans-62.1-42.2178.600000111.7T253 D258 A259T253-A255 VanDerWaalsContact C-N 3.28Å; T253-A255 PolarHBondContact O-N 3.33Å; A255-D258 PolarHBondContact O-N 3.05Å; A255-A259 PolarHBondContact O-N 3Å; A255-A259 VanDerWaalsContact O-N 3.13Å
256T98.4Very high98.6Very high15 Ų1530.7 Ų30.79%0.09218%0.183CC..Hα-helixtrans-63.5-46.2175.4-59.90000111.4I219 I223 I225 C252 T253 K254 D258 A259 L260I219-T256 HydrophobicContact CB-CG2 4.13Å; I219-T256 HydrophobicContact CG2-CG2 3.66Å; I223-T256 HydrophobicContact CD1-CG2 3.64Å; I225-T256 HydrophobicContact CD1-CG2 4.38Å; C252-T256 HydrophobicContact CB-CG2 3.67Å; T253-T256 PolarHBondContact O-N 3.32Å; T253-T256 WeakPolarHBondContact OG1-CB 3.47Å; T253-T256 PolarHBondContact OG1-N 3.39Å; T253-T256 VanDerWaalsContact OG1-N 3.09Å; T253-T256 PolarHBondContact OG1-OG1 2.96Å; K254-T256 VanDerWaalsContact C-N 3.34Å; K254-T256 PolarHBondContact O-N 2.94Å; T256-D258 PolarHBondContact O-N 2.7Å; T256-A259 PolarHBondContact O-N 3.03Å; T256-L260 WeakPolarHBondContact O-CB 3.18Å; T256-L260 PolarHBondContact O-N 2.77Å
257R98.3Very high98.6Very high29 Ų2930.4 Ų30.411%0.10918%0.181CC..Hα-helixtrans-56.5-50.2176176.4-161.269.1174.215.7111.5T253 K254 A259 L260 V261 V324 D325 I344 T346T253-R257 PolarHBondContact O-N 3.42Å; K254-R257 WeakPolarHBondContact O-CB 3.47Å; K254-R257 PolarHBondContact O-N 3.35Å; R257-A259 PolarHBondContact O-N 2.89Å; R257-L260 PolarHBondContact O-N 3.3Å; R257-L260 VanDerWaalsContact O-N 3.11Å; R257-V261 HydrophobicContact CG-CG2 4.25Å; R257-V261 WeakPolarHBondContact O-CG2 3.33Å; R257-V261 PolarHBondContact O-N 3.31Å; R257-V324 HydrophobicContact CG-CG1 4.1Å; R257-D325 IonicContact CZ-OD1 3.75Å; R257-D325 IonicContact NH1-OD1 2.77Å; R257-D325 PolarHBondContact NH1-OD1 3.26Å; R257-I344 HydrophobicContact CB-CG2 4.39Å; R257-I344 HydrophobicContact CG-CG2 4.05Å; R257-T346 WeakPolarHBondContact CD-OG1 3.12Å; R257-T346 PolarHBondContact NH1-OG1 3.4Å
258D98.3Very high98.6Very high82 Ų8230.8 Ų30.844%0.43918%0.183SC..Hα-helixtrans-64.8-30.1-175.4-68-9.4000111.7K254 A255 T256 P262K254-D258 WeakPolarHBondContact O-CB 3.47Å; K254-D258 VanDerWaalsContact O-CG 3.23Å; K254-D258 PolarHBondContact O-N 3.46Å; A255-D258 PolarHBondContact O-N 3.05Å; T256-D258 PolarHBondContact O-N 2.7Å; D258-P262 WeakPolarHBondContact O-CD 3.11Å
259A98.3Very high98.6Very high45 Ų4534.9 Ų34.937%0.37220%0.202SC..Hα-helixtrans-79.7-35.5171.500000113.3I225 A255 T256 R257I225-A259 HydrophobicContact CD1-CB 3.98Å; I225-A259 HydrophobicContact CG1-CB 4.13Å; I225-A259 HydrophobicContact CG2-CB 4.46Å; A255-A259 PolarHBondContact O-N 3Å; A255-A259 VanDerWaalsContact O-N 3.13Å; T256-A259 PolarHBondContact O-N 3.03Å; R257-A259 PolarHBondContact O-N 2.89Å
260L98.6Very high98.6Very high0 Ų040.7 Ų40.70%023%0.229CC..Hα-helixtrans-74.1-42.5-174.6-177.864.5000112.2I219 A229 L232 T256 R257 A263 L264I219-L260 HydrophobicContact CD1-CD2 3.78Å; A229-L260 HydrophobicContact CB-CD1 4.1Å; L232-L260 HydrophobicContact CD2-CD2 4.26Å; T256-L260 WeakPolarHBondContact O-CB 3.18Å; T256-L260 PolarHBondContact O-N 2.77Å; R257-L260 PolarHBondContact O-N 3.3Å; R257-L260 VanDerWaalsContact O-N 3.11Å; L260-A263 WeakPolarHBondContact O-CA 3.46Å; L260-A263 WeakPolarHBondContact O-CB 3.47Å; L260-A263 PolarHBondContact O-N 2.95Å; L260-L264 HydrophobicContact CD1-CD2 4.19Å; L260-L264 HydrophobicContact CD1-CG 4.14Å; L260-L264 HydrophobicContact CD2-CD1 4.31Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CD2 4.4Å; L260-L264 HydrophobicContact CG-CG 3.94Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3.15Å
261V98.7Very high98.6Very high26 Ų2643.6 Ų43.616%0.15824%0.242CC..Hα-helixtrans-56-48.7-175.7168.20000112.6R257 A263 L264 T265 V306 I307 V324 I344R257-V261 HydrophobicContact CG-CG2 4.25Å; R257-V261 WeakPolarHBondContact O-CG2 3.33Å; R257-V261 PolarHBondContact O-N 3.31Å; V261-A263 VanDerWaalsContact C-N 3.3Å; V261-A263 PolarHBondContact O-N 2.81Å; V261-L264 PolarHBondContact O-N 2.94Å; V261-T265 PolarHBondContact O-N 3.07Å; V261-T265 PolarHBondContact O-OG1 3.13Å; V261-V306 HydrophobicContact CG1-CB 4.48Å; V261-V306 HydrophobicContact CG1-CG2 4.11Å; V261-I307 HydrophobicContact CG1-CD1 4.33Å; V261-V324 HydrophobicContact CG2-CG1 3.86Å; V261-I344 HydrophobicContact CG2-CD1 4.18Å
262P98.6Very high98.5Very high67 Ų6744.4 Ų44.444%0.43525%0.245SC..Hα-helixtrans-60.1-38.1174.7-24.334.4000113.5D258 T265 N266D258-P262 WeakPolarHBondContact O-CD 3.11Å; P262-T265 PolarHBondContact O-N 3.01Å; P262-N266 VanDerWaalsContact O-CG 3.3Å; P262-N266 PolarHBondContact O-N 3.01Å; P262-N266 VanDerWaalsContact O-N 3.09Å; P262-N266 PolarHBondContact O-ND2 3.26Å
263A98.8Very high98.5Very high7 Ų746 Ų466%0.05826%0.261CS..Hα-helixtrans-66.4-40.3177.200000111.7I225 A229 L260 V261 T265 N266 V267I225-A263 HydrophobicContact CG2-CB 3.76Å; A229-A263 HydrophobicContact CB-CB 3.68Å; L260-A263 WeakPolarHBondContact O-CA 3.46Å; L260-A263 WeakPolarHBondContact O-CB 3.47Å; L260-A263 PolarHBondContact O-N 2.95Å; V261-A263 VanDerWaalsContact C-N 3.3Å; V261-A263 PolarHBondContact O-N 2.81Å; A263-T265 VanDerWaalsContact C-N 3.35Å; A263-T265 PolarHBondContact O-N 3.44Å; A263-N266 PolarHBondContact O-N 3.41Å; A263-V267 VanDerWaalsContact O-CG2 3.29Å; A263-V267 WeakPolarHBondContact O-CG2 3.3Å; A263-V267 PolarHBondContact O-N 3.15Å
264L98.8Very high98.4Very high0 Ų053 Ų530%029%0.289CS..Hα-helixtrans-60.8-43.1173.8-65.2175.6000111.5A229 L232 V233 L260 V261 N266 V267 L268 I307 V322 I344A229-L264 HydrophobicContact CB-CD2 4.04Å; L232-L264 HydrophobicContact CD2-CD2 4.21Å; V233-L264 HydrophobicContact CG2-CD2 3.53Å; L260-L264 HydrophobicContact CD1-CD2 4.19Å; L260-L264 HydrophobicContact CD1-CG 4.14Å; L260-L264 HydrophobicContact CD2-CD1 4.31Å; L260-L264 HydrophobicContact CG-CD1 3.92Å; L260-L264 HydrophobicContact CG-CD2 4.4Å; L260-L264 HydrophobicContact CG-CG 3.94Å; L260-L264 WeakPolarHBondContact O-CG 3.47Å; L260-L264 PolarHBondContact O-N 3.15Å; V261-L264 PolarHBondContact O-N 2.94Å; L264-N266 PolarHBondContact O-N 3.13Å; L264-V267 PolarHBondContact O-N 3.05Å; L264-L268 VanDerWaalsContact O-CB 3.3Å; L264-L268 WeakPolarHBondContact O-CB 3.44Å; L264-L268 VanDerWaalsContact O-CG 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.08Å; L264-I307 HydrophobicContact CB-CD1 3.91Å; L264-V322 HydrophobicContact CD1-CG1 4.23Å; L264-V322 HydrophobicContact CD1-CG2 4.27Å; L264-I344 HydrophobicContact CD1-CD1 3.98Å
265T98.6Very high98.3Very high54 Ų5453.4 Ų53.433%0.33129%0.293SS..Hα-helixtrans-57.7-49.5175.5-57.10000111.3V261 P262 A263 V267 L268 E269 I307V261-T265 PolarHBondContact O-N 3.07Å; V261-T265 PolarHBondContact O-OG1 3.13Å; P262-T265 PolarHBondContact O-N 3.01Å; A263-T265 VanDerWaalsContact C-N 3.35Å; A263-T265 PolarHBondContact O-N 3.44Å; T265-V267 PolarHBondContact O-N 2.94Å; T265-L268 PolarHBondContact O-N 3.4Å; T265-E269 PolarHBondContact O-N 2.88Å; T265-I307 WeakPolarHBondContact OG1-CD1 3.2Å; T265-I307 WeakPolarHBondContact OG1-CG1 3.44Å
266N98.6Very high98.3Very high95 Ų9551.2 Ų51.251%0.50827%0.273SS..Hα-helixtrans-62.4-45.2-178.4-67.7-20.6000111.9P262 A263 L264 E269 E270P262-N266 VanDerWaalsContact O-CG 3.3Å; P262-N266 PolarHBondContact O-N 3.01Å; P262-N266 VanDerWaalsContact O-N 3.09Å; P262-N266 PolarHBondContact O-ND2 3.26Å; A263-N266 PolarHBondContact O-N 3.41Å; L264-N266 PolarHBondContact O-N 3.13Å; N266-E269 PolarHBondContact O-N 3.22Å; N266-E270 WeakPolarHBondContact O-CB 3.37Å; N266-E270 PolarHBondContact O-N 3.38Å
267V98.8Very high98.3Very high0 Ų053.7 Ų53.70%028%0.283CS..Hα-helixtrans-67.2-38.1179.5173.70000111.3A229 V233 A263 L264 T265 E270 F271A229-V267 HydrophobicContact CB-CG2 4.05Å; V233-V267 HydrophobicContact CB-CG1 3.73Å; V233-V267 HydrophobicContact CG1-CG1 3.83Å; V233-V267 HydrophobicContact CG2-CB 4.19Å; V233-V267 HydrophobicContact CG2-CG1 3.87Å; A263-V267 VanDerWaalsContact O-CG2 3.29Å; A263-V267 WeakPolarHBondContact O-CG2 3.3Å; A263-V267 PolarHBondContact O-N 3.15Å; L264-V267 PolarHBondContact O-N 3.05Å; T265-V267 PolarHBondContact O-N 2.94Å; V267-E270 WeakPolarHBondContact O-CB 3.24Å; V267-E270 PolarHBondContact O-N 3.47Å; V267-F271 HydrophobicContact CG1-CD1 4.12Å; V267-F271 HydrophobicContact CG1-CD2 4.1Å; V267-F271 HydrophobicContact CG1-CE1 3.81Å; V267-F271 HydrophobicContact CG1-CE2 3.77Å; V267-F271 HydrophobicContact CG1-CG 4.27Å; V267-F271 HydrophobicContact CG1-CZ 3.62Å; V267-F271 WeakPolarHBondContact O-CB 3.38Å; V267-F271 WeakPolarHBondContact O-CD1 3.32Å; V267-F271 WeakPolarHBondContact O-CG 3.22Å; V267-F271 PolarHBondContact O-N 3.09Å
268L98.7Very high98.3Very high11 Ų1159.4 Ų59.46%0.05831%0.308CS..Hα-helixtrans-64.1-41.4176.3-79.8169.4000112.2V233 Y237 L264 T265 F271 Y272 I307 P320V233-L268 HydrophobicContact CG1-CD2 3.61Å; V233-L268 HydrophobicContact CG1-CG 4.03Å; V233-L268 HydrophobicContact CG2-CG 4.2Å; Y237-L268 HydrophobicContact CD2-CD2 3.77Å; Y237-L268 HydrophobicContact CE2-CD1 4.31Å; Y237-L268 HydrophobicContact CE2-CD2 3.75Å; Y237-L268 HydrophobicContact CE2-CG 4.43Å; Y237-L268 HydrophobicContact CG-CD2 4.41Å; L264-L268 VanDerWaalsContact O-CB 3.3Å; L264-L268 WeakPolarHBondContact O-CB 3.44Å; L264-L268 VanDerWaalsContact O-CG 3.27Å; L264-L268 WeakPolarHBondContact O-CG 3.39Å; L264-L268 PolarHBondContact O-N 3.08Å; T265-L268 PolarHBondContact O-N 3.4Å; L268-F271 PolarHBondContact O-N 3.02Å; L268-Y272 HydrophobicContact CD2-CD2 3.91Å; L268-Y272 HydrophobicContact CD2-CE2 3.9Å; L268-Y272 PolarHBondContact O-N 3.44Å; L268-I307 HydrophobicContact CD1-CD1 4.47Å; L268-I307 HydrophobicContact CD1-CG2 3.76Å; L268-P320 HydrophobicContact CD1-CB 4.15Å; L268-P320 HydrophobicContact CD2-CB 3.42Å; L268-P320 VanDerWaalsContact CD2-CB 3.42Å; L268-P320 HydrophobicContact CD2-CG 3.98Å; L268-P320 HydrophobicContact CG-CB 4.41Å
269E98.4Very high98.3Very high91 Ų9156.1 Ų56.143%0.42529%0.292SS..Hα-helixtrans-67.5-36.3173.3-172.9175.2159.300111.6T265 N266 G273 K274T265-E269 PolarHBondContact O-N 2.88Å; N266-E269 PolarHBondContact O-N 3.22Å; E269-G273 WeakPolarHBondContact O-CA 3.21Å; E269-G273 PolarHBondContact O-N 2.97Å; E269-K274 HydrophobicContact CG-CG 3.97Å; E269-K274 WeakPolarHBondContact OE1-CE 3.41Å; E269-K274 VanDerWaalsContact OE1-CG 3.27Å; E269-K274 WeakPolarHBondContact OE1-CG 3.32Å; E269-K274 IonicContact OE1-NZ 2.62Å
270E98.6Very high98.2Very high125 Ų12558.9 Ų58.958%0.58431%0.306SS*.Hα-helixtrans-61.6-45.8173.6-177.3-175.2149.700111.8H230 N266 V267H230-E270 IonicContact NE2-OE1 3.96Å; H230-E270 IonicContact NE2-OE2 3.75Å; H230-E270 PolarHBondContact NE2-OE2 2.96Å; N266-E270 WeakPolarHBondContact O-CB 3.37Å; N266-E270 PolarHBondContact O-N 3.38Å; V267-E270 WeakPolarHBondContact O-CB 3.24Å; V267-E270 PolarHBondContact O-N 3.47Å
271F98.6Very high98.2Very high60 Ų6062.6 Ų62.626%0.26333%0.326SS..Hα-helixtrans-77.4-40.9-174.4-73.57.8000112.8H230 V233 W234 V267 L268H230-F271 AromaticContact CD2-CE1 3.89Å; H230-F271 AromaticContact CD2-CZ 3.95Å; V233-F271 HydrophobicContact CB-CE2 4.26Å; V233-F271 HydrophobicContact CG1-CD2 3.6Å; V233-F271 HydrophobicContact CG1-CE2 3.81Å; W234-F271 HydrophobicContact CB-CE2 4.06Å; V267-F271 HydrophobicContact CG1-CD1 4.12Å; V267-F271 HydrophobicContact CG1-CD2 4.1Å; V267-F271 HydrophobicContact CG1-CE1 3.81Å; V267-F271 HydrophobicContact CG1-CE2 3.77Å; V267-F271 HydrophobicContact CG1-CG 4.27Å; V267-F271 HydrophobicContact CG1-CZ 3.62Å; V267-F271 WeakPolarHBondContact O-CB 3.38Å; V267-F271 WeakPolarHBondContact O-CD1 3.32Å; V267-F271 WeakPolarHBondContact O-CG 3.22Å; V267-F271 PolarHBondContact O-N 3.09Å; L268-F271 PolarHBondContact O-N 3.02Å
272Y98.5Very high98.2Very high18 Ų1861.5 Ų61.57%0.07132%0.32CS..Hα-helixtrans-120.9-0.7-169.2-52.9-61.7000113.8L268 D281 L282 P320L268-Y272 HydrophobicContact CD2-CD2 3.91Å; L268-Y272 HydrophobicContact CD2-CE2 3.9Å; L268-Y272 PolarHBondContact O-N 3.44Å; Y272-D281 HydrophobicContact CD1-CB 4.43Å; Y272-D281 HydrophobicContact CE1-CB 4.39Å; Y272-D281 WeakPolarHBondContact CE1-O 3.15Å; Y272-L282 HydrophobicContact CD1-CB 4.04Å; Y272-L282 HydrophobicContact CE1-CB 4.18Å; Y272-L282 HydrophobicContact CE1-CD1 4.14Å; Y272-P320 HydrophobicContact CD2-CG 4.1Å; Y272-P320 HydrophobicContact CE2-CG 4.25Å
273G97.9Very high98.2Very high33 Ų3358.5 Ų58.534%0.3430%0.3SS..  trans71.9-176.4-174.700000113.3E269 E275E269-G273 WeakPolarHBondContact O-CA 3.21Å; E269-G273 PolarHBondContact O-N 2.97Å; G273-E275 VanDerWaalsContact C-N 3.27Å; G273-E275 PolarHBondContact O-N 2.95Å
274K96.3Very high98.2Very high173 Ų17359.5 Ų59.575%0.75230%0.302SS*.SBendtrans-70.9-20.4179.6-67.2-176.3177.4-178.90114.2E269 P276E269-K274 HydrophobicContact CG-CG 3.97Å; E269-K274 WeakPolarHBondContact OE1-CE 3.41Å; E269-K274 VanDerWaalsContact OE1-CG 3.27Å; E269-K274 WeakPolarHBondContact OE1-CG 3.32Å; E269-K274 IonicContact OE1-NZ 2.62Å; K274-P276 WeakPolarHBondContact O-CD 3.31Å
275E96.8Very high98.2Very high117 Ų11759.6 Ų59.655%0.54730%0.303SS..  trans-122.476.3177.6-65-174.6102.900109.5G273 Q277 K278G273-E275 VanDerWaalsContact C-N 3.27Å; G273-E275 PolarHBondContact O-N 2.95Å; E275-Q277 PolarHBondContact O-N 2.97Å; E275-K278 HydrophobicContact CB-CD 4.27Å; E275-K278 HydrophobicContact CB-CG 4.47Å; E275-K278 PolarHBondContact O-N 3.46Å; E275-K278 IonicContact OE1-NZ 2.65Å; E275-K278 PolarHBondContact OE1-NZ 2.91Å; E275-K278 IonicContact OE2-NZ 3.2Å; E275-K278 PolarHBondContact OE2-NZ 2.81Å
276P97.7Very high98.2Very high28 Ų2857.6 Ų57.618%0.18229%0.291CS..G310 helixtrans-56.4-27.6-173.2-27.435.2000114.4K274 K278 S279 L282K274-P276 WeakPolarHBondContact O-CD 3.31Å; P276-K278 PolarHBondContact O-N 3.24Å; P276-S279 VanDerWaalsContact O-CB 3.25Å; P276-S279 WeakPolarHBondContact O-CB 3.41Å; P276-S279 PolarHBondContact O-N 3.12Å; P276-L282 HydrophobicContact CB-CD2 4.06Å
277Q98.3Very high98.1Very high66 Ų6654.4 Ų54.431%0.30828%0.275SS..G310 helixtrans-57.9-34.8174.9-167.5173.97.400112.6E275 S279 R284 D312 D315 Y317E275-Q277 PolarHBondContact O-N 2.97Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; Q277-R284 PolarHBondContact O-NH2 3.33Å; Q277-D312 PolarHBondContact NE2-OD2 2.99Å; Q277-D315 WeakPolarHBondContact CG-OD2 3.47Å; Q277-D315 PolarHBondContact NE2-OD2 2.95Å; Q277-Y317 HydrophobicContact CB-CD1 3.95Å; Q277-Y317 HydrophobicContact CB-CD2 4.1Å; Q277-Y317 HydrophobicContact CB-CE1 3.66Å; Q277-Y317 HydrophobicContact CB-CE2 3.82Å; Q277-Y317 HydrophobicContact CB-CG 4.15Å; Q277-Y317 HydrophobicContact CG-CD1 3.66Å; Q277-Y317 HydrophobicContact CG-CD2 3.98Å; Q277-Y317 HydrophobicContact CG-CE1 3.94Å; Q277-Y317 HydrophobicContact CG-CE2 4.22Å; Q277-Y317 HydrophobicContact CG-CG 3.68Å; Q277-Y317 PolarHBondContact N-OH 2.95Å
278K97.7Very high98.1Very high149 Ų14956.9 Ų56.965%0.64830%0.296SS*.G310 helixtrans-85.3-5.6178.9-63.7178.6-174.8162.20113E275 P276E275-K278 HydrophobicContact CB-CD 4.27Å; E275-K278 HydrophobicContact CB-CG 4.47Å; E275-K278 PolarHBondContact O-N 3.46Å; E275-K278 IonicContact OE1-NZ 2.65Å; E275-K278 PolarHBondContact OE1-NZ 2.91Å; E275-K278 IonicContact OE2-NZ 3.2Å; E275-K278 PolarHBondContact OE2-NZ 2.81Å; P276-K278 PolarHBondContact O-N 3.24Å
279S98.1Very high98.1Very high14 Ų1466 Ų6610%0.09833%0.33CS..  trans-66.9131.2179.2178.80000110.3P276 Q277 D281P276-S279 VanDerWaalsContact O-CB 3.25Å; P276-S279 WeakPolarHBondContact O-CB 3.41Å; P276-S279 PolarHBondContact O-N 3.12Å; Q277-S279 VanDerWaalsContact C-N 3.32Å; S279-D281 PolarHBondContact O-N 3.5Å; S279-D281 PolarHBondContact OG-N 2.85Å; S279-D281 VanDerWaalsContact OG-N 3.13Å
280P97.4Very high98.1Very high103 Ų10363.4 Ų63.467%0.66932%0.317SS*.THydrogen-bonded Turntrans-73-9.5172.433.3-35.8000112.6P55P55-P280 WeakPolarHBondContact CB-O 3.36Å; P55-P280 WeakPolarHBondContact CG-O 3.34Å
281D98.1Very high98.1Very high77 Ų7757.9 Ų57.941%0.41229%0.291SS..THydrogen-bonded Turntrans-100.17.8-174.1-58.5-59.2000112.8P55 Y272 S279P55-D281 VanDerWaalsContact CG-CA 3.49Å; P55-D281 WeakPolarHBondContact CG-O 3.32Å; Y272-D281 HydrophobicContact CD1-CB 4.43Å; Y272-D281 HydrophobicContact CE1-CB 4.39Å; Y272-D281 WeakPolarHBondContact CE1-O 3.15Å; S279-D281 PolarHBondContact O-N 3.5Å; S279-D281 PolarHBondContact OG-N 2.85Å; S279-D281 VanDerWaalsContact OG-N 3.13Å
282L98.3Very high98.1Very high4 Ų457.4 Ų57.42%0.02129%0.294CS..  trans-116116.8179.9-174.364.2000112Y272 P276 R284 Y317 P320Y272-L282 HydrophobicContact CD1-CB 4.04Å; Y272-L282 HydrophobicContact CE1-CB 4.18Å; Y272-L282 HydrophobicContact CE1-CD1 4.14Å; P276-L282 HydrophobicContact CB-CD2 4.06Å; L282-R284 PolarHBondContact O-NH1 3.09Å; L282-Y317 HydrophobicContact CD2-CD2 4.22Å; L282-Y317 HydrophobicContact CD2-CE2 3.65Å; L282-P320 HydrophobicContact CD1-CG 4.39Å; L282-P320 HydrophobicContact CD2-CG 4.33Å
283S98.5Very high98.1Very high3 Ų359.6 Ų59.62%0.02130%0.302CS..  trans-64.3167.5174.2-66.80000112.9K54 P55 E58K54-S283 WeakPolarHBondContact CA-OG 3.31Å; P55-S283 VanDerWaalsContact CD-OG 3.28Å; P55-S283 WeakPolarHBondContact CD-OG 3.3Å; E58-S283 PolarHBondContact OE2-OG 3.36Å; E58-S283 VanDerWaalsContact OE2-OG 3.12Å
284R98.8Very high98.1Very high28 Ų2858 Ų5811%0.10629%0.286CS..  trans-110.6161.4175.3-63.8-56-174-101.96.6112.3L52 A53 Q242 Q277 L282 V286 D315 K316L52-R284 PolarHBondContact O-N 3.49Å; A53-R284 HydrophobicContact CB-CB 3.96Å; A53-R284 HydrophobicContact CB-CG 3.53Å; Q242-R284 PolarHBondContact NE2-O 3.07Å; Q277-R284 PolarHBondContact O-NH2 3.33Å; L282-R284 PolarHBondContact O-NH1 3.09Å; R284-V286 PolarHBondContact O-N 3.06Å; R284-D315 VanDerWaalsContact CD-O 3.22Å; R284-D315 WeakPolarHBondContact CD-O 3.47Å; R284-D315 WeakPolarHBondContact CG-O 3.33Å; R284-D315 IonicContact CZ-OD1 2.8Å; R284-D315 IonicContact CZ-OD2 2.84Å; R284-D315 IonicContact NE-OD1 3.32Å; R284-D315 PolarHBondContact NE-OD1 3.48Å; R284-D315 IonicContact NE-OD2 3.46Å; R284-D315 PolarHBondContact NE-OD2 3.06Å; R284-D315 IonicContact NH2-OD1 3.91Å; R284-D315 IonicContact NH2-OD2 3.7Å; R284-D315 PolarHBondContact NH2-OD2 2.79Å; R284-K316 HydrophobicContact CB-CB 4.49Å
285I98.9Very high98.2Very high2 Ų252 Ų521%0.0126%0.261CS..  trans-68130.8172.3-54.8-55.1000108.8A240 S287 H290 F291 L294 K316 I318 P340A240-I285 HydrophobicContact CB-CD1 4.47Å; I285-S287 PolarHBondContact O-N 2.68Å; I285-S287 VanDerWaalsContact O-N 3.08Å; I285-H290 HydrophobicContact CG2-CB 3.62Å; I285-F291 HydrophobicContact CB-CB 4.41Å; I285-F291 HydrophobicContact CG2-CB 4.18Å; I285-L294 HydrophobicContact CD1-CD1 3.55Å; I285-L294 HydrophobicContact CG1-CD1 4.02Å; I285-L294 HydrophobicContact CG2-CD1 4.25Å; I285-K316 HydrophobicContact CB-CB 4.32Å; I285-K316 WeakPolarHBondContact CB-O 3.48Å; I285-K316 WeakPolarHBondContact CG1-O 3.48Å; I285-K316 PolarHBondContact N-O 2.9Å; I285-K316 VanDerWaalsContact O-CB 3.31Å; I285-K316 WeakPolarHBondContact O-CB 3.34Å; I285-K316 VanDerWaalsContact O-CD 3.24Å; I285-K316 WeakPolarHBondContact O-CD 3.4Å; I285-K316 WeakPolarHBondContact O-CE 3.49Å; I285-I318 HydrophobicContact CD1-CD1 4.43Å; I285-I318 HydrophobicContact CG1-CD1 3.96Å; I285-I318 HydrophobicContact CG1-CG1 4.12Å; I285-P340 HydrophobicContact CD1-CG 4.39Å
286V98.5Very high98.3Very high13 Ų1351.8 Ų51.88%0.07926%0.258CS..SBendtrans-58.3-30.7-168.673.80000114.2L52 W114 V142 R284 H290L52-V286 HydrophobicContact CD2-CB 3.66Å; L52-V286 HydrophobicContact CD2-CG2 3.63Å; L52-V286 HydrophobicContact CG-CG2 4.5Å; W114-V286 HydrophobicContact CD2-CB 4.4Å; W114-V286 HydrophobicContact CD2-CG1 3.95Å; W114-V286 HydrophobicContact CD2-CG2 4.29Å; W114-V286 HydrophobicContact CE3-CB 3.63Å; W114-V286 HydrophobicContact CE3-CG1 3.57Å; W114-V286 HydrophobicContact CE3-CG2 3.69Å; W114-V286 HydrophobicContact CH2-CB 4.33Å; W114-V286 HydrophobicContact CH2-CG1 3.72Å; W114-V286 HydrophobicContact CZ2-CG1 4.1Å; W114-V286 HydrophobicContact CZ3-CB 3.6Å; W114-V286 HydrophobicContact CZ3-CG1 3.46Å; W114-V286 VanDerWaalsContact CZ3-CG1 3.46Å; W114-V286 HydrophobicContact CZ3-CG2 4.19Å; V142-V286 HydrophobicContact CG1-CB 4.49Å; V142-V286 HydrophobicContact CG1-CG1 4Å; V142-V286 HydrophobicContact CG1-CG2 3.65Å; R284-V286 PolarHBondContact O-N 3.06Å; V286-H290 HydrophobicContact CG1-CB 4.44Å; V286-H290 WeakPolarHBondContact CG1-CD2 3.4Å
287S98.1Very high98.4Very high27 Ų2751.1 Ų51.119%0.18925%0.253CS..  trans-151.7155.7-175.3700000112.8I285 R289 H290 F291I285-S287 PolarHBondContact O-N 2.68Å; I285-S287 VanDerWaalsContact O-N 3.08Å; S287-R289 PolarHBondContact O-N 3.33Å; S287-H290 PolarHBondContact O-N 3.25Å; S287-H290 PolarHBondContact OG-N 2.93Å; S287-F291 PolarHBondContact O-N 3.34Å
288A98.1Very high98.4Very high53 Ų5349.1 Ų49.144%0.43824%0.244SC..Hα-helixtrans-54.9-39.7173.600000111.8H290 F291 T292A288-H290 VanDerWaalsContact C-N 3.33Å; A288-H290 PolarHBondContact O-N 3.16Å; A288-F291 WeakPolarHBondContact O-CB 3.47Å; A288-F291 PolarHBondContact O-N 3.29Å; A288-T292 PolarHBondContact O-N 3.38Å; A288-T292 PolarHBondContact O-OG1 2.69Å
289R97.9Very high98.3Very high202 Ų20249.6 Ų49.676%0.76225%0.249SC*.Hα-helixtrans-57.4-44.1175.9178.5-176.6171.4-174.4-1.8112.3S287 R293S287-R289 PolarHBondContact O-N 3.33Å; R289-R293 PolarHBondContact O-N 3.03Å
290H98.6Very high98.3Very high36 Ų3655.7 Ų55.717%0.16727%0.273CS..Hα-helixtrans-74.7-35.9-179.8-68.1-6.5000111.6W114 I285 V286 S287 A288 R293 L294W114-H290 AromaticContact CE2-CD2 3.9Å; W114-H290 AromaticContact CE2-NE2 3.62Å; W114-H290 AromaticContact CH2-CD2 3.7Å; W114-H290 AromaticContact CZ2-CD2 3.3Å; W114-H290 WeakPolarHBondContact CZ2-CD2 3.42Å; W114-H290 AromaticContact CZ2-NE2 3.37Å; W114-H290 WeakPolarHBondContact CZ2-NE2 3.3Å; W114-H290 AromaticContact NE1-NE2 3.69Å; I285-H290 HydrophobicContact CG2-CB 3.62Å; V286-H290 HydrophobicContact CG1-CB 4.44Å; V286-H290 WeakPolarHBondContact CG1-CD2 3.4Å; S287-H290 PolarHBondContact O-N 3.25Å; S287-H290 PolarHBondContact OG-N 2.93Å; A288-H290 VanDerWaalsContact C-N 3.33Å; A288-H290 PolarHBondContact O-N 3.16Å; H290-R293 PolarHBondContact O-N 3.11Å; H290-L294 WeakPolarHBondContact O-CG 3.44Å; H290-L294 PolarHBondContact O-N 3.03Å; H290-L294 VanDerWaalsContact O-N 3.09Å
291F98.8Very high98.4Very high9 Ų951.8 Ų51.84%0.03925%0.248CC..Hα-helixtrans-57.9-55.1171.7177.1-88000111.1I285 S287 A288 R293 L294 M295 D312 E313 Y317 I318I285-F291 HydrophobicContact CB-CB 4.41Å; I285-F291 HydrophobicContact CG2-CB 4.18Å; S287-F291 PolarHBondContact O-N 3.34Å; A288-F291 WeakPolarHBondContact O-CB 3.47Å; A288-F291 PolarHBondContact O-N 3.29Å; F291-R293 PolarHBondContact O-N 3.17Å; F291-L294 PolarHBondContact O-N 2.77Å; F291-L294 VanDerWaalsContact O-N 3.09Å; F291-M295 HydrophobicContact CD1-CG 4.05Å; F291-M295 HydrophobicContact CE1-CG 3.6Å; F291-M295 HydrophobicContact CE2-CG 4.28Å; F291-M295 HydrophobicContact CE2-SD 4.48Å; F291-M295 HydrophobicContact CZ-CG 3.73Å; F291-M295 HydrophobicContact CZ-SD 4.2Å; F291-M295 WeakPolarHBondContact O-CG 3.42Å; F291-M295 PolarHBondContact O-N 3.26Å; F291-D312 WeakPolarHBondContact CE2-O 3.45Å; F291-E313 HydrophobicContact CD1-CB 4.2Å; F291-E313 HydrophobicContact CD1-CG 3.92Å; F291-E313 HydrophobicContact CE1-CB 3.57Å; F291-E313 HydrophobicContact CE1-CG 3.77Å; F291-E313 HydrophobicContact CZ-CB 3.91Å; F291-Y317 WeakPolarHBondContact CE2-O 3.46Å; F291-I318 HydrophobicContact CD2-CD1 3.9Å; F291-I318 HydrophobicContact CD2-CG1 3.69Å; F291-I318 HydrophobicContact CE2-CD1 4.16Å; F291-I318 HydrophobicContact CE2-CG1 3.58Å
292T98.7Very high98.3Very high51 Ų5156.1 Ų56.131%0.31326%0.263SS..Hα-helixtrans-58.1-36.7179-51.90000112.1A288 K296A288-T292 PolarHBondContact O-N 3.38Å; A288-T292 PolarHBondContact O-OG1 2.69Å; T292-K296 HydrophobicContact CG2-CD 4.26Å; T292-K296 WeakPolarHBondContact O-CB 3.34Å; T292-K296 VanDerWaalsContact O-CG 3.3Å; T292-K296 WeakPolarHBondContact O-CG 3.27Å; T292-K296 PolarHBondContact O-N 2.99Å
293R98.5Very high98.3Very high64 Ų6456.4 Ų56.424%0.24227%0.267CS..Hα-helixtrans-62.2-50.6175.9-176-17065.291.43.3111R289 H290 F291 M295 K296 L297 E335 E336 I337R289-R293 PolarHBondContact O-N 3.03Å; H290-R293 PolarHBondContact O-N 3.11Å; F291-R293 PolarHBondContact O-N 3.17Å; R293-M295 VanDerWaalsContact C-N 3.35Å; R293-M295 PolarHBondContact O-N 2.88Å; R293-K296 WeakPolarHBondContact O-CB 3.35Å; R293-K296 PolarHBondContact O-N 2.8Å; R293-L297 WeakPolarHBondContact O-CG 3.33Å; R293-L297 PolarHBondContact O-N 3.1Å; R293-L297 VanDerWaalsContact O-N 3.12Å; R293-E335 WeakPolarHBondContact CD-OE1 3.34Å; R293-E335 IonicContact CZ-OE1 3.39Å; R293-E335 IonicContact NH1-OE1 2.89Å; R293-E335 PolarHBondContact NH1-OE1 2.96Å; R293-E336 PolarHBondContact NH1-O 2.65Å; R293-E336 VanDerWaalsContact NH1-O 3.09Å; R293-I337 PolarHBondContact NH1-O 3.34Å; R293-I337 PolarHBondContact NH2-O 3.44Å
294L98.8Very high98.3Very high0 Ų062.4 Ų62.40%029%0.293CS..Hα-helixtrans-61.8-42.3-179.8-70.4167.4000111.7I285 H290 F291 K296 L297 L298 I318 I337 I341I285-L294 HydrophobicContact CD1-CD1 3.55Å; I285-L294 HydrophobicContact CG1-CD1 4.02Å; I285-L294 HydrophobicContact CG2-CD1 4.25Å; H290-L294 WeakPolarHBondContact O-CG 3.44Å; H290-L294 PolarHBondContact O-N 3.03Å; H290-L294 VanDerWaalsContact O-N 3.09Å; F291-L294 PolarHBondContact O-N 2.77Å; F291-L294 VanDerWaalsContact O-N 3.09Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 2.97Å; L294-L297 HydrophobicContact CD2-CD1 4.49Å; L294-L297 WeakPolarHBondContact O-CB 3.47Å; L294-L297 PolarHBondContact O-N 3.17Å; L294-L297 VanDerWaalsContact O-N 3.11Å; L294-L298 PolarHBondContact O-N 3.09Å; L294-L298 VanDerWaalsContact O-N 3.07Å; L294-I318 HydrophobicContact CB-CD1 3.51Å; L294-I318 HydrophobicContact CD1-CD1 3.74Å; L294-I318 HydrophobicContact CG-CD1 4.27Å; L294-I337 HydrophobicContact CD2-CG2 4.1Å; L294-I337 WeakPolarHBondContact CD2-O 3.45Å; L294-I341 HydrophobicContact CB-CD1 4.2Å; L294-I341 HydrophobicContact CD2-CD1 3.95Å
295M98.6Very high98.3Very high45 Ų4564.1 Ų64.122%0.22231%0.306CS..Hα-helixtrans-62.9-39.2176-65.7-48.8-60.700112.5F291 R293 L297 L298 E299 S311 I318F291-M295 HydrophobicContact CD1-CG 4.05Å; F291-M295 HydrophobicContact CE1-CG 3.6Å; F291-M295 HydrophobicContact CE2-CG 4.28Å; F291-M295 HydrophobicContact CE2-SD 4.48Å; F291-M295 HydrophobicContact CZ-CG 3.73Å; F291-M295 HydrophobicContact CZ-SD 4.2Å; F291-M295 WeakPolarHBondContact O-CG 3.42Å; F291-M295 PolarHBondContact O-N 3.26Å; R293-M295 VanDerWaalsContact C-N 3.35Å; R293-M295 PolarHBondContact O-N 2.88Å; M295-L297 VanDerWaalsContact C-N 3.28Å; M295-L297 PolarHBondContact O-N 3.42Å; M295-L298 HydrophobicContact CE-CD1 4.4Å; M295-L298 PolarHBondContact O-N 2.89Å; M295-L298 HydrophobicContact SD-CD1 4.13Å; M295-E299 WeakPolarHBondContact O-CB 3.4Å; M295-E299 PolarHBondContact O-N 3.34Å; M295-S311 WeakPolarHBondContact CE-OG 3.16Å; M295-I318 HydrophobicContact CG-CD1 4.44Å; M295-I318 HydrophobicContact SD-CD1 3.96Å; M295-I318 HydrophobicContact SD-CG1 4.09Å
296K98.4Very high98.2Very high114 Ų11466.8 Ų66.850%0.49632%0.322SS..Hα-helixtrans-64.2-30.7173.6-76.8174.8178.5177.10113.2T292 R293 L294 K300T292-K296 HydrophobicContact CG2-CD 4.26Å; T292-K296 WeakPolarHBondContact O-CB 3.34Å; T292-K296 VanDerWaalsContact O-CG 3.3Å; T292-K296 WeakPolarHBondContact O-CG 3.27Å; T292-K296 PolarHBondContact O-N 2.99Å; R293-K296 WeakPolarHBondContact O-CB 3.35Å; R293-K296 PolarHBondContact O-N 2.8Å; L294-K296 VanDerWaalsContact C-N 3.34Å; L294-K296 PolarHBondContact O-N 2.97Å; K296-K300 WeakPolarHBondContact O-CB 3.29Å; K296-K300 VanDerWaalsContact O-CG 3.31Å; K296-K300 WeakPolarHBondContact O-CG 3.49Å; K296-K300 PolarHBondContact O-N 2.8Å
297L98.5Very high98.2Very high13 Ų1367.1 Ų67.17%0.06832%0.324CS..Hα-helixtrans-69-44.7173.3-63.3176000110.6R293 L294 M295 E299 K300 T301 V331 L332 E335R293-L297 WeakPolarHBondContact O-CG 3.33Å; R293-L297 PolarHBondContact O-N 3.1Å; R293-L297 VanDerWaalsContact O-N 3.12Å; L294-L297 HydrophobicContact CD2-CD1 4.49Å; L294-L297 WeakPolarHBondContact O-CB 3.47Å; L294-L297 PolarHBondContact O-N 3.17Å; L294-L297 VanDerWaalsContact O-N 3.11Å; M295-L297 VanDerWaalsContact C-N 3.28Å; M295-L297 PolarHBondContact O-N 3.42Å; L297-E299 VanDerWaalsContact C-N 3.35Å; L297-E299 PolarHBondContact O-N 3.28Å; L297-K300 PolarHBondContact O-N 2.9Å; L297-T301 PolarHBondContact O-N 2.89Å; L297-V331 HydrophobicContact CD2-CG2 3.36Å; L297-L332 HydrophobicContact CB-CD2 3.86Å; L297-E335 HydrophobicContact CD2-CG 4.43Å
298L98.3Very high98.3Very high25 Ų2567.1 Ų67.113%0.13133%0.327CS..Hα-helixtrans-64.7-34.8176.1-71.3175.6000113.2L294 M295 T301 I318 T321 L323 I341L294-L298 PolarHBondContact O-N 3.09Å; L294-L298 VanDerWaalsContact O-N 3.07Å; M295-L298 HydrophobicContact CE-CD1 4.4Å; M295-L298 PolarHBondContact O-N 2.89Å; M295-L298 HydrophobicContact SD-CD1 4.13Å; L298-T301 VanDerWaalsContact O-CG2 3.32Å; L298-T301 WeakPolarHBondContact O-CG2 3.43Å; L298-I318 HydrophobicContact CD1-CG2 4.4Å; L298-T321 HydrophobicContact CD2-CG2 4.12Å; L298-L323 HydrophobicContact CD2-CD1 4.04Å; L298-L323 HydrophobicContact CD2-CD2 4.47Å; L298-I341 HydrophobicContact CD1-CD1 3.91Å; L298-I341 HydrophobicContact CD1-CG1 4.28Å; L298-I341 HydrophobicContact CD2-CD1 3.79Å; L298-I341 HydrophobicContact CD2-CG1 4.03Å; L298-I341 HydrophobicContact CD2-CG2 3.84Å; L298-I341 HydrophobicContact CG-CD1 3.59Å; L298-I341 HydrophobicContact CG-CG1 4.24Å
299E97.6Very high98.2Very high158 Ų15866.1 Ų66.174%0.73832%0.322SS*.Hα-helixtrans-68.8-36.8177.3-173.8-171.217300112.1M295 L297M295-E299 WeakPolarHBondContact O-CB 3.4Å; M295-E299 PolarHBondContact O-N 3.34Å; L297-E299 VanDerWaalsContact C-N 3.35Å; L297-E299 PolarHBondContact O-N 3.28Å
300K98Very high98.2Very high142 Ų14262 Ų6262%0.61731%0.312SS*.Hα-helixtrans-92-16.2-172.9-71.2-179.8178-174.30114.4K296 L297 V331K296-K300 WeakPolarHBondContact O-CB 3.29Å; K296-K300 VanDerWaalsContact O-CG 3.31Å; K296-K300 WeakPolarHBondContact O-CG 3.49Å; K296-K300 PolarHBondContact O-N 2.8Å; L297-K300 PolarHBondContact O-N 2.9Å; K300-V331 VanDerWaalsContact C-CG1 3.4Å; K300-V331 HydrophobicContact CB-CB 4.48Å; K300-V331 HydrophobicContact CB-CG1 3.78Å; K300-V331 HydrophobicContact CB-CG2 4.36Å; K300-V331 WeakPolarHBondContact O-CG1 3.24Å
301T98.1Very high98.2Very high21 Ų2162.8 Ų62.813%0.12932%0.321CS..  trans-64.6143.9-179.1-169.80000110.7L297 L298 G303 L323 D330 V331 L332L297-T301 PolarHBondContact O-N 2.89Å; L298-T301 VanDerWaalsContact O-CG2 3.32Å; L298-T301 WeakPolarHBondContact O-CG2 3.43Å; T301-G303 PolarHBondContact OG1-N 3.42Å; T301-G303 VanDerWaalsContact OG1-N 3.11Å; T301-L323 HydrophobicContact CG2-CD2 3.55Å; T301-D330 WeakPolarHBondContact CB-OD1 2.8Å; T301-D330 PolarHBondContact OG1-OD1 3.48Å; T301-D330 PolarHBondContact OG1-OD2 3.37Å; T301-V331 VanDerWaalsContact CA-CG1 3.45Å; T301-L332 HydrophobicContact CG2-CD1 4.18Å; T301-L332 VanDerWaalsContact OG1-CD1 3.3Å; T301-L332 WeakPolarHBondContact OG1-CD1 3.43Å
302K97Very high98.2Very high168 Ų16865 Ų6573%0.7333%0.334SS*.  trans-89.7-10.5168.5-62.1174.5-175167.70111.4D330K302-D330 PolarHBondContact N-OD2 2.95Å
303G97.3Very high98.2Very high11 Ų1168 Ų6811%0.11334%0.344CS..SBendtrans-62152.517500000112.3T301T301-G303 PolarHBondContact OG1-N 3.42Å; T301-G303 VanDerWaalsContact OG1-N 3.11Å
304K98.3Very high98.1Very high129 Ų12972.5 Ų72.556%0.56137%0.373SS*.EExtended strand (participates in β ladder)trans-96.2118.1-179.6-177.3-178.6176.1-175.90110.6V306 L323 V324K304-V306 HydrophobicContact CD-CG1 4.48Å; K304-V306 HydrophobicContact CG-CG1 4.38Å; K304-V306 PolarHBondContact O-N 2.87Å; K304-L323 CarbonylContact O-C 3.57Å; K304-L323 VanDerWaalsContact O-CA 3.26Å; K304-L323 WeakPolarHBondContact O-CA 3.16Å; K304-V324 HydrophobicContact CB-CG2 4.32Å; K304-V324 PolarHBondContact N-O 3.47Å; K304-V324 PolarHBondContact O-N 2.81Å
305V98.6Very high98.1Very high64 Ų6475 Ų7539%0.38839%0.386SS..EExtended strand (participates in β ladder)trans-64.5121.7169.4-178.90000109.6I307 T321 L323V305-I307 WeakPolarHBondContact CG1-O 3.45Å; V305-T321 HydrophobicContact CG1-CG2 4.05Å; V305-T321 HydrophobicContact CG2-CG2 4.4Å; V305-L323 HydrophobicContact CG2-CD2 3.8Å; V305-L323 HydrophobicContact CG2-CG 3.97Å
306V98.6Very high98.1Very high57 Ų5776.2 Ų76.235%0.34539%0.39SS..EExtended strand (participates in β ladder)trans-115.4-20177.7-71.80000113.3V261 K304 V322 V324V261-V306 HydrophobicContact CG1-CB 4.48Å; V261-V306 HydrophobicContact CG1-CG2 4.11Å; K304-V306 HydrophobicContact CD-CG1 4.48Å; K304-V306 HydrophobicContact CG-CG1 4.38Å; K304-V306 PolarHBondContact O-N 2.87Å; V306-V322 HydrophobicContact CG2-CB 4.28Å; V306-V322 HydrophobicContact CG2-CG1 4.07Å; V306-V322 WeakPolarHBondContact CG2-O 3.36Å; V306-V322 PolarHBondContact N-O 2.74Å; V306-V324 HydrophobicContact CG1-CG1 4.47Å; V306-V324 HydrophobicContact CG1-CG2 3.51Å; V306-V324 HydrophobicContact CG2-CG1 3.82Å; V306-V324 HydrophobicContact CG2-CG2 4.31Å
307I98.6Very high98.1Very high21 Ų2171.2 Ų71.211%0.10837%0.368CS..EExtended strand (participates in β ladder)trans-138.7139.2173.5-53.3170000107.4V261 L264 T265 L268 V305 T321 V322V261-I307 HydrophobicContact CG1-CD1 4.33Å; L264-I307 HydrophobicContact CB-CD1 3.91Å; T265-I307 WeakPolarHBondContact OG1-CD1 3.2Å; T265-I307 WeakPolarHBondContact OG1-CG1 3.44Å; L268-I307 HydrophobicContact CD1-CD1 4.47Å; L268-I307 HydrophobicContact CD1-CG2 3.76Å; V305-I307 WeakPolarHBondContact CG1-O 3.45Å; I307-T321 VanDerWaalsContact O-CA 3.3Å; I307-T321 WeakPolarHBondContact O-CA 3.44Å; I307-V322 HydrophobicContact CB-CB 3.99Å; I307-V322 HydrophobicContact CB-CG2 4.19Å; I307-V322 HydrophobicContact CD1-CB 4.01Å; I307-V322 HydrophobicContact CD1-CG2 3.9Å; I307-V322 HydrophobicContact CG1-CB 4.2Å; I307-V322 HydrophobicContact CG1-CG2 4.47Å; I307-V322 PolarHBondContact N-O 3.33Å; I307-V322 PolarHBondContact O-N 3.11Å
308G98.3Very high98.1Very high26 Ų2670.9 Ų70.927%0.26837%0.366SS..  trans76.4-13917500000114Q310 P320G308-Q310 VanDerWaalsContact CA-OE1 3.29Å; G308-Q310 PolarHBondContact O-NE2 3.38Å; G308-Q310 PolarHBondContact O-OE1 2.92Å; G308-P320 WeakPolarHBondContact CA-O 3.4Å
309G97Very high98.1Very high32 Ų3269.8 Ų69.833%0.3336%0.361SS..  trans91-7.5-17700000115.3T321G309-T321 PolarHBondContact N-OG1 2.9Å
310Q98.4Very high98.2Very high117 Ų11762.4 Ų62.455%0.54733%0.327SS..  trans-73.8149.5173.1-57.976.415.100110.6G308 Y317 A319G308-Q310 VanDerWaalsContact CA-OE1 3.29Å; G308-Q310 PolarHBondContact O-NE2 3.38Å; G308-Q310 PolarHBondContact O-OE1 2.92Å; Q310-Y317 HydrophobicContact CB-CE1 4.49Å; Q310-A319 HydrophobicContact CB-CB 4.17Å; Q310-A319 WeakPolarHBondContact O-CB 3.32Å; Q310-A319 PolarHBondContact O-N 3.28Å
311S98.5Very high98.2Very high52 Ų5255.7 Ų55.736%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-152.8158.4177.264.40000111.5M295 Y317M295-S311 WeakPolarHBondContact CE-OG 3.16Å; S311-Y317 CarbonylContact C-O 3.6Å; S311-Y317 WeakPolarHBondContact CA-O 3.41Å; S311-Y317 WeakPolarHBondContact CB-O 3.23Å
312D98.6Very high98.3Very high56 Ų5654.7 Ų54.730%0.29929%0.292SS..EExtended strand (participates in β ladder)trans-143.9116.1175.3-178.7-17.5000108.2Q277 F291 D314 D315 K316 Y317Q277-D312 PolarHBondContact NE2-OD2 2.99Å; F291-D312 WeakPolarHBondContact CE2-O 3.45Å; D312-D314 PolarHBondContact OD1-N 3.39Å; D312-D314 VanDerWaalsContact OD1-N 3.08Å; D312-D315 HydrophobicContact CB-CB 4.21Å; D312-D315 PolarHBondContact OD1-N 3.36Å; D312-K316 CarbonylContact O-C 3.53Å; D312-K316 WeakPolarHBondContact O-CA 3.41Å; D312-K316 PolarHBondContact O-N 3.16Å; D312-Y317 HydrophobicContact CB-CD1 4.27Å; D312-Y317 PolarHBondContact N-O 2.99Å; D312-Y317 PolarHBondContact O-N 3.13Å
313E97.9Very high98.4Very high114 Ų11446.7 Ų46.753%0.53326%0.257SS..THydrogen-bonded Turntrans-70.5-36.7-175.3-175.5168.1-167.800112.4F291 D315 K316F291-E313 HydrophobicContact CD1-CB 4.2Å; F291-E313 HydrophobicContact CD1-CG 3.92Å; F291-E313 HydrophobicContact CE1-CB 3.57Å; F291-E313 HydrophobicContact CE1-CG 3.77Å; F291-E313 HydrophobicContact CZ-CB 3.91Å; E313-D315 VanDerWaalsContact C-N 3.35Å; E313-K316 PolarHBondContact O-N 2.95Å; E313-K316 VanDerWaalsContact O-N 3.07Å
314D97.7Very high98.4Very high158 Ų15846.6 Ų46.685%0.84525%0.254SS*.THydrogen-bonded Turntrans-68.4-39.1-177.6-72.1-26.1000110.6D312 K316D312-D314 PolarHBondContact OD1-N 3.39Å; D312-D314 VanDerWaalsContact OD1-N 3.08Å; D314-K316 VanDerWaalsContact C-N 3.3Å
315D97.5Very high98.2Very high53 Ų5344.3 Ų44.328%0.28325%0.248SC..THydrogen-bonded Turntrans-83-5.6173.7-168.921.1000112.6Q277 R284 D312 E313 Y317Q277-D315 WeakPolarHBondContact CG-OD2 3.47Å; Q277-D315 PolarHBondContact NE2-OD2 2.95Å; R284-D315 VanDerWaalsContact CD-O 3.22Å; R284-D315 WeakPolarHBondContact CD-O 3.47Å; R284-D315 WeakPolarHBondContact CG-O 3.33Å; R284-D315 IonicContact CZ-OD1 2.8Å; R284-D315 IonicContact CZ-OD2 2.84Å; R284-D315 IonicContact NE-OD1 3.32Å; R284-D315 PolarHBondContact NE-OD1 3.48Å; R284-D315 IonicContact NE-OD2 3.46Å; R284-D315 PolarHBondContact NE-OD2 3.06Å; R284-D315 IonicContact NH2-OD1 3.91Å; R284-D315 IonicContact NH2-OD2 3.7Å; R284-D315 PolarHBondContact NH2-OD2 2.79Å; D312-D315 HydrophobicContact CB-CB 4.21Å; D312-D315 PolarHBondContact OD1-N 3.36Å; E313-D315 VanDerWaalsContact C-N 3.35Å; D315-Y317 PolarHBondContact O-N 3.45Å; D315-Y317 VanDerWaalsContact O-N 3.15Å
316K98.5Very high98.1Very high70 Ų7041.5 Ų41.530%0.30423%0.231SC..THydrogen-bonded Turntrans49.236.2-170.6-55.9-177.8-65.3-71.60112R284 I285 D312 E313 D314R284-K316 HydrophobicContact CB-CB 4.49Å; I285-K316 HydrophobicContact CB-CB 4.32Å; I285-K316 WeakPolarHBondContact CB-O 3.48Å; I285-K316 WeakPolarHBondContact CG1-O 3.48Å; I285-K316 PolarHBondContact N-O 2.9Å; I285-K316 VanDerWaalsContact O-CB 3.31Å; I285-K316 WeakPolarHBondContact O-CB 3.34Å; I285-K316 VanDerWaalsContact O-CD 3.24Å; I285-K316 WeakPolarHBondContact O-CD 3.4Å; I285-K316 WeakPolarHBondContact O-CE 3.49Å; D312-K316 CarbonylContact O-C 3.53Å; D312-K316 WeakPolarHBondContact O-CA 3.41Å; D312-K316 PolarHBondContact O-N 3.16Å; E313-K316 PolarHBondContact O-N 2.95Å; E313-K316 VanDerWaalsContact O-N 3.07Å; D314-K316 VanDerWaalsContact C-N 3.3Å
317Y98.8Very high97.9Very high8 Ų844.6 Ų44.63%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-95.6128.9-175.7163.7-104.6000110.7Q277 L282 F291 Q310 S311 D312 D315 A319Q277-Y317 HydrophobicContact CB-CD1 3.95Å; Q277-Y317 HydrophobicContact CB-CD2 4.1Å; Q277-Y317 HydrophobicContact CB-CE1 3.66Å; Q277-Y317 HydrophobicContact CB-CE2 3.82Å; Q277-Y317 HydrophobicContact CB-CG 4.15Å; Q277-Y317 HydrophobicContact CG-CD1 3.66Å; Q277-Y317 HydrophobicContact CG-CD2 3.98Å; Q277-Y317 HydrophobicContact CG-CE1 3.94Å; Q277-Y317 HydrophobicContact CG-CE2 4.22Å; Q277-Y317 HydrophobicContact CG-CG 3.68Å; Q277-Y317 PolarHBondContact N-OH 2.95Å; L282-Y317 HydrophobicContact CD2-CD2 4.22Å; L282-Y317 HydrophobicContact CD2-CE2 3.65Å; F291-Y317 WeakPolarHBondContact CE2-O 3.46Å; Q310-Y317 HydrophobicContact CB-CE1 4.49Å; S311-Y317 CarbonylContact C-O 3.6Å; S311-Y317 WeakPolarHBondContact CA-O 3.41Å; S311-Y317 WeakPolarHBondContact CB-O 3.23Å; D312-Y317 HydrophobicContact CB-CD1 4.27Å; D312-Y317 PolarHBondContact N-O 2.99Å; D312-Y317 PolarHBondContact O-N 3.13Å; D315-Y317 PolarHBondContact O-N 3.45Å; D315-Y317 VanDerWaalsContact O-N 3.15Å; Y317-A319 HydrophobicContact CE1-CB 4.22Å; Y317-A319 WeakPolarHBondContact OH-CA 3.45Å; Y317-A319 VanDerWaalsContact OH-CB 3.24Å; Y317-A319 WeakPolarHBondContact OH-CB 3.5Å
318I98.8Very high97.7Very high6 Ų647.1 Ų47.13%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-125.4125.1166.6-58.1178.4000106.4I285 F291 L294 M295 L298 P340I285-I318 HydrophobicContact CD1-CD1 4.43Å; I285-I318 HydrophobicContact CG1-CD1 3.96Å; I285-I318 HydrophobicContact CG1-CG1 4.12Å; F291-I318 HydrophobicContact CD2-CD1 3.9Å; F291-I318 HydrophobicContact CD2-CG1 3.69Å; F291-I318 HydrophobicContact CE2-CD1 4.16Å; F291-I318 HydrophobicContact CE2-CG1 3.58Å; L294-I318 HydrophobicContact CB-CD1 3.51Å; L294-I318 HydrophobicContact CD1-CD1 3.74Å; L294-I318 HydrophobicContact CG-CD1 4.27Å; M295-I318 HydrophobicContact CG-CD1 4.44Å; M295-I318 HydrophobicContact SD-CD1 3.96Å; M295-I318 HydrophobicContact SD-CG1 4.09Å; L298-I318 HydrophobicContact CD1-CG2 4.4Å; I318-P340 HydrophobicContact CB-CG 3.77Å; I318-P340 HydrophobicContact CG2-CG 3.86Å; I318-P340 WeakPolarHBondContact O-CG 3.36Å
319A98.8Very high97.5Very high2 Ų251.9 Ų51.92%0.01727%0.273CS..  trans-59.5147.1178.800000111Q310 Y317 T321Q310-A319 HydrophobicContact CB-CB 4.17Å; Q310-A319 WeakPolarHBondContact O-CB 3.32Å; Q310-A319 PolarHBondContact O-N 3.28Å; Y317-A319 HydrophobicContact CE1-CB 4.22Å; Y317-A319 WeakPolarHBondContact OH-CA 3.45Å; Y317-A319 VanDerWaalsContact OH-CB 3.24Å; Y317-A319 WeakPolarHBondContact OH-CB 3.5Å; A319-T321 PolarHBondContact O-N 3.03Å; A319-T321 PolarHBondContact O-OG1 2.9Å
320P98.8Very high97.6Very high4 Ų450.8 Ų50.83%0.02626%0.259CS..  trans-50111.1164.7-28.437000110.6Y237 L268 Y272 L282 G308Y237-P320 HydrophobicContact CD1-CB 3.63Å; Y237-P320 HydrophobicContact CD1-CG 4.15Å; Y237-P320 HydrophobicContact CD2-CB 4.37Å; Y237-P320 HydrophobicContact CE1-CB 3.48Å; Y237-P320 VanDerWaalsContact CE1-CB 3.48Å; Y237-P320 HydrophobicContact CE1-CG 4.45Å; Y237-P320 HydrophobicContact CE2-CB 4.24Å; Y237-P320 HydrophobicContact CG-CB 4.08Å; Y237-P320 HydrophobicContact CG-CG 4.46Å; L268-P320 HydrophobicContact CD1-CB 4.15Å; L268-P320 HydrophobicContact CD2-CB 3.42Å; L268-P320 VanDerWaalsContact CD2-CB 3.42Å; L268-P320 HydrophobicContact CD2-CG 3.98Å; L268-P320 HydrophobicContact CG-CB 4.41Å; Y272-P320 HydrophobicContact CD2-CG 4.1Å; Y272-P320 HydrophobicContact CE2-CG 4.25Å; L282-P320 HydrophobicContact CD1-CG 4.39Å; L282-P320 HydrophobicContact CD2-CG 4.33Å; G308-P320 WeakPolarHBondContact CA-O 3.4Å
321T98.9Very high97.6Very high0 Ų047.4 Ų47.40%025%0.246CC..EExtended strand (participates in β ladder)trans-118.9127.3-167.6-610000110.6Y237 L298 V305 I307 G309 A319 L323 P340 I341 L342Y237-T321 PolarHBondContact OH-O 3.49Å; L298-T321 HydrophobicContact CD2-CG2 4.12Å; V305-T321 HydrophobicContact CG1-CG2 4.05Å; V305-T321 HydrophobicContact CG2-CG2 4.4Å; I307-T321 VanDerWaalsContact O-CA 3.3Å; I307-T321 WeakPolarHBondContact O-CA 3.44Å; G309-T321 PolarHBondContact N-OG1 2.9Å; A319-T321 PolarHBondContact O-N 3.03Å; A319-T321 PolarHBondContact O-OG1 2.9Å; T321-L323 HydrophobicContact CG2-CD1 3.8Å; T321-P340 PolarHBondContact N-O 3Å; T321-I341 CarbonylContact O-C 3.29Å; T321-I341 WeakPolarHBondContact O-CA 3.36Å; T321-L342 PolarHBondContact O-N 3.43Å
322V98.9Very high97.5Very high1 Ų145 Ų451%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-116.1131175.7-178.50000109.3Y237 L264 V306 I307 L342 I344Y237-V322 VanDerWaalsContact OH-CG2 3.29Å; Y237-V322 WeakPolarHBondContact OH-CG2 3.45Å; L264-V322 HydrophobicContact CD1-CG1 4.23Å; L264-V322 HydrophobicContact CD1-CG2 4.27Å; V306-V322 HydrophobicContact CG2-CB 4.28Å; V306-V322 HydrophobicContact CG2-CG1 4.07Å; V306-V322 WeakPolarHBondContact CG2-O 3.36Å; V306-V322 PolarHBondContact N-O 2.74Å; I307-V322 HydrophobicContact CB-CB 3.99Å; I307-V322 HydrophobicContact CB-CG2 4.19Å; I307-V322 HydrophobicContact CD1-CB 4.01Å; I307-V322 HydrophobicContact CD1-CG2 3.9Å; I307-V322 HydrophobicContact CG1-CB 4.2Å; I307-V322 HydrophobicContact CG1-CG2 4.47Å; I307-V322 PolarHBondContact N-O 3.33Å; I307-V322 PolarHBondContact O-N 3.11Å; V322-L342 WeakPolarHBondContact CA-O 3.44Å; V322-L342 HydrophobicContact CG2-CB 4.41Å; V322-I344 HydrophobicContact CG1-CD1 3.61Å; V322-I344 HydrophobicContact CG1-CG1 4.07Å
323L98.8Very high97.5Very high0 Ų042.5 Ų42.50%022%0.216CC..EExtended strand (participates in β ladder)trans-116.6139.8175.1-62.493.3000110.6L298 T301 K304 V305 T321 V326 L332 I341 L342 I344L298-L323 HydrophobicContact CD2-CD1 4.04Å; L298-L323 HydrophobicContact CD2-CD2 4.47Å; T301-L323 HydrophobicContact CG2-CD2 3.55Å; K304-L323 CarbonylContact O-C 3.57Å; K304-L323 VanDerWaalsContact O-CA 3.26Å; K304-L323 WeakPolarHBondContact O-CA 3.16Å; V305-L323 HydrophobicContact CG2-CD2 3.8Å; V305-L323 HydrophobicContact CG2-CG 3.97Å; T321-L323 HydrophobicContact CG2-CD1 3.8Å; L323-V326 HydrophobicContact CB-CG2 3.84Å; L323-L332 HydrophobicContact CD1-CD1 3.99Å; L323-L332 HydrophobicContact CD2-CD1 3.79Å; L323-L332 HydrophobicContact CG-CD1 4.34Å; L323-I341 HydrophobicContact CD1-CG2 3.36Å; L323-L342 PolarHBondContact N-O 3.09Å; L323-I344 PolarHBondContact O-N 3.39Å
324V98.5Very high97.3Very high9 Ų940.4 Ų40.46%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-117173.6170.5-610000109.9R257 V261 K304 V306 V326 I344R257-V324 HydrophobicContact CG-CG1 4.1Å; V261-V324 HydrophobicContact CG2-CG1 3.86Å; K304-V324 HydrophobicContact CB-CG2 4.32Å; K304-V324 PolarHBondContact N-O 3.47Å; K304-V324 PolarHBondContact O-N 2.81Å; V306-V324 HydrophobicContact CG1-CG1 4.47Å; V306-V324 HydrophobicContact CG1-CG2 3.51Å; V306-V324 HydrophobicContact CG2-CG1 3.82Å; V306-V324 HydrophobicContact CG2-CG2 4.31Å; V324-V326 PolarHBondContact O-N 3.49Å; V324-I344 HydrophobicContact CG1-CB 4.44Å
325D93.9Very high97.1Very high80 Ų8037.2 Ų37.243%0.42821%0.205SC..SBendtrans55.236.3-178.7-50.4-35.4000111R257R257-D325 IonicContact CZ-OD1 3.75Å; R257-D325 IonicContact NH1-OD1 2.77Å; R257-D325 PolarHBondContact NH1-OD1 3.26Å
326V96.2Very high97.1Very high5 Ų537.2 Ų37.23%0.0320%0.203CC..  trans-84.6128.9173.5179.70000107.7L323 V324 D330 M333 P343 L345L323-V326 HydrophobicContact CB-CG2 3.84Å; V324-V326 PolarHBondContact O-N 3.49Å; V326-D330 HydrophobicContact CG1-CB 3.76Å; V326-M333 HydrophobicContact CG1-CG 4.01Å; V326-P343 HydrophobicContact CB-CB 4.18Å; V326-P343 HydrophobicContact CG1-CB 4Å; V326-P343 HydrophobicContact CG2-CB 3.77Å; V326-L345 HydrophobicContact CB-CD1 4.27Å; V326-L345 HydrophobicContact CB-CG 4.29Å; V326-L345 HydrophobicContact CG1-CD1 4.15Å; V326-L345 HydrophobicContact CG1-CG 4.35Å; V326-L345 WeakPolarHBondContact O-CG 3.49Å
327E94.2Very high97.1Very high123 Ų12333.9 Ų33.958%0.57519%0.189SC*.  trans-91.9161.2177.1-62.8-61.7152.800111.2D329 D330E327-D329 WeakPolarHBondContact CB-OD1 3.33Å; E327-D329 PolarHBondContact O-N 3.39Å; E327-D330 VanDerWaalsContact O-CB 3.27Å; E327-D330 WeakPolarHBondContact O-CB 3.44Å; E327-D330 PolarHBondContact O-N 3.28Å; E327-D330 VanDerWaalsContact O-N 3.14Å
328E94.2Very high97.1Very high73 Ų7334.9 Ų34.934%0.34119%0.193SC..THydrogen-bonded Turntrans-61.4-30.3-178.3-177.8175.9171.600113.3M333 L356 R359E328-M333 WeakPolarHBondContact O-CB 3.38Å; E328-L356 HydrophobicContact CB-CD1 4.4Å; E328-L356 HydrophobicContact CG-CD1 4.12Å; E328-L356 HydrophobicContact CG-CG 4.34Å; E328-R359 VanDerWaalsContact CD-NH2 3.27Å; E328-R359 IonicContact OE1-CZ 3.16Å; E328-R359 IonicContact OE1-NE 3.86Å; E328-R359 PolarHBondContact OE1-NE 2.88Å; E328-R359 IonicContact OE1-NH2 2.71Å; E328-R359 PolarHBondContact OE1-NH2 3.07Å; E328-R359 IonicContact OE2-CZ 3Å; E328-R359 IonicContact OE2-NH2 3.73Å; E328-R359 PolarHBondContact OE2-NH2 2.86Å
329D95.3Very high97.1Very high127 Ų12734.6 Ų34.668%0.67919%0.191SC*.THydrogen-bonded Turntrans-90.75.2179.874.4-28.5000113.8E327E327-D329 WeakPolarHBondContact CB-OD1 3.33Å; E327-D329 PolarHBondContact O-N 3.39Å
330D97.9Very high97.1Very high8 Ų834.5 Ų34.54%0.04319%0.191CC..SBendtrans-64.4149.8177-165.9-87.2000111.7T301 K302 V326 E327 L332 M333 G334T301-D330 WeakPolarHBondContact CB-OD1 2.8Å; T301-D330 PolarHBondContact OG1-OD1 3.48Å; T301-D330 PolarHBondContact OG1-OD2 3.37Å; K302-D330 PolarHBondContact N-OD2 2.95Å; V326-D330 HydrophobicContact CG1-CB 3.76Å; E327-D330 VanDerWaalsContact O-CB 3.27Å; E327-D330 WeakPolarHBondContact O-CB 3.44Å; E327-D330 PolarHBondContact O-N 3.28Å; E327-D330 VanDerWaalsContact O-N 3.14Å; D330-L332 PolarHBondContact O-N 2.89Å; D330-L332 WeakPolarHBondContact OD1-CB 3.22Å; D330-L332 PolarHBondContact OD1-N 3.21Å; D330-M333 WeakPolarHBondContact O-CA 3.37Å; D330-M333 WeakPolarHBondContact O-CB 3.29Å; D330-M333 PolarHBondContact O-N 2.68Å; D330-G334 PolarHBondContact O-N 3.47Å
331V98Very high97.1Very high47 Ų4734.3 Ų34.329%0.28519%0.189SC..G310 helixtrans-56.1-34.7175.738.80000112.5L297 K300 T301 M333 G334L297-V331 HydrophobicContact CD2-CG2 3.36Å; K300-V331 VanDerWaalsContact C-CG1 3.4Å; K300-V331 HydrophobicContact CB-CB 4.48Å; K300-V331 HydrophobicContact CB-CG1 3.78Å; K300-V331 HydrophobicContact CB-CG2 4.36Å; K300-V331 WeakPolarHBondContact O-CG1 3.24Å; T301-V331 VanDerWaalsContact CA-CG1 3.45Å; V331-M333 PolarHBondContact O-N 2.82Å; V331-G334 PolarHBondContact O-N 3.13Å
332L98.1Very high97.1Very high1 Ų134.3 Ų34.31%0.00519%0.189CC..G310 helixtrans-64.5-18174-69.5175.8000113K214 L297 T301 L323 D330 I337 I341 P343K214-L332 PolarHBondContact NZ-O 3.36Å; L297-L332 HydrophobicContact CB-CD2 3.86Å; T301-L332 HydrophobicContact CG2-CD1 4.18Å; T301-L332 VanDerWaalsContact OG1-CD1 3.3Å; T301-L332 WeakPolarHBondContact OG1-CD1 3.43Å; L323-L332 HydrophobicContact CD1-CD1 3.99Å; L323-L332 HydrophobicContact CD2-CD1 3.79Å; L323-L332 HydrophobicContact CG-CD1 4.34Å; D330-L332 PolarHBondContact O-N 2.89Å; D330-L332 WeakPolarHBondContact OD1-CB 3.22Å; D330-L332 PolarHBondContact OD1-N 3.21Å; L332-I337 HydrophobicContact CD2-CD1 4.46Å; L332-I341 HydrophobicContact CD1-CG2 4.3Å; L332-I341 HydrophobicContact CD2-CG2 3.98Å; L332-P343 HydrophobicContact CB-CG 4.48Å; L332-P343 HydrophobicContact CD1-CB 4.36Å
333M97.8Very high97.1Very high4 Ų434.2 Ų34.22%0.0219%0.189CC..G310 helixtrans-99.2-4.2179.8-67.5-54.3-73.500114.2K214 Y249 V326 E328 D330 V331 P343 L345 K360K214-M333 WeakPolarHBondContact CE-O 3.07Å; Y249-M333 HydrophobicContact CD1-CE 3.93Å; Y249-M333 HydrophobicContact CD1-SD 4.39Å; Y249-M333 HydrophobicContact CD2-CE 3.5Å; Y249-M333 VanDerWaalsContact CD2-CE 3.5Å; Y249-M333 HydrophobicContact CD2-SD 4.3Å; Y249-M333 HydrophobicContact CE1-CE 4.09Å; Y249-M333 HydrophobicContact CE2-CE 3.62Å; Y249-M333 HydrophobicContact CG-CE 3.64Å; Y249-M333 HydrophobicContact CG-SD 3.99Å; V326-M333 HydrophobicContact CG1-CG 4.01Å; E328-M333 WeakPolarHBondContact O-CB 3.38Å; D330-M333 WeakPolarHBondContact O-CA 3.37Å; D330-M333 WeakPolarHBondContact O-CB 3.29Å; D330-M333 PolarHBondContact O-N 2.68Å; V331-M333 PolarHBondContact O-N 2.82Å; M333-P343 HydrophobicContact SD-CG 4.34Å; M333-L345 HydrophobicContact CE-CD1 3.95Å; M333-L345 HydrophobicContact CE-CD2 3.9Å; M333-L345 HydrophobicContact CG-CD1 4.28Å; M333-L345 HydrophobicContact CG-CD2 4.26Å; M333-L345 HydrophobicContact SD-CD1 3.68Å; M333-L345 HydrophobicContact SD-CD2 4.35Å; M333-K360 PolarHBondContact O-NZ 2.96Å
334G94.2Very high97.1Very high69 Ų6934.2 Ų34.271%0.71119%0.189SC*.THydrogen-bonded Turntrans-84.9-39.8-176.800000115.3D330 V331D330-G334 PolarHBondContact O-N 3.47Å; V331-G334 PolarHBondContact O-N 3.13Å
335E92.8Very high97.1Very high92 Ų9234 Ų3443%0.4319%0.188SC..SBendtrans-128.9167.5177.765.6172.3-148.300112.2K214 R293 L297 I337K214-E335 PolarHBondContact NZ-O 2.93Å; R293-E335 WeakPolarHBondContact CD-OE1 3.34Å; R293-E335 IonicContact CZ-OE1 3.39Å; R293-E335 IonicContact NH1-OE1 2.89Å; R293-E335 PolarHBondContact NH1-OE1 2.96Å; L297-E335 HydrophobicContact CD2-CG 4.43Å; E335-I337 PolarHBondContact O-N 3.15Å
336E97.8Very high97.3Very high53 Ų5332.6 Ų32.625%0.24818%0.182CC..  trans-61.5129.5173-174.9178-150.400110.7G212 G213 R293 F338G212-E336 VanDerWaalsContact CA-OE1 3.32Å; G212-E336 WeakPolarHBondContact CA-OE1 3.37Å; G213-E336 PolarHBondContact N-OE1 3.38Å; G213-E336 VanDerWaalsContact N-OE1 3.08Å; R293-E336 PolarHBondContact NH1-O 2.65Å; R293-E336 VanDerWaalsContact NH1-O 3.09Å; E336-F338 HydrophobicContact CG-CB 4.3Å; E336-F338 HydrophobicContact CG-CD2 4.25Å
337I98.6Very high97.4Very high0 Ų033.5 Ų33.50%019%0.188CC..  trans-74.2-50.3-175.7-63.8179.2000109.8D248 R293 L294 L332 E335 G339 I341 P343D248-I337 WeakPolarHBondContact O-CD1 3.41Å; D248-I337 WeakPolarHBondContact OD2-CB 3.35Å; D248-I337 PolarHBondContact OD2-N 2.85Å; R293-I337 PolarHBondContact NH1-O 3.34Å; R293-I337 PolarHBondContact NH2-O 3.44Å; L294-I337 HydrophobicContact CD2-CG2 4.1Å; L294-I337 WeakPolarHBondContact CD2-O 3.45Å; L332-I337 HydrophobicContact CD2-CD1 4.46Å; E335-I337 PolarHBondContact O-N 3.15Å; I337-G339 VanDerWaalsContact C-N 3.29Å; I337-G339 PolarHBondContact O-N 3.03Å; I337-I341 WeakPolarHBondContact CD1-O 3.15Å; I337-I341 HydrophobicContact CG2-CB 3.83Å; I337-I341 HydrophobicContact CG2-CD1 4.43Å; I337-P343 VanDerWaalsContact CD1-CD 3.41Å; I337-P343 HydrophobicContact CD1-CG 3.71Å
338F98.7Very high97.5Very high28 Ų2833 Ų3312%0.12319%0.185CC..  trans50.446.4178.6-142-101000113.9W114 N115 G241 Q242 C244 E336W114-F338 AromaticContact CH2-CD1 3.64Å; W114-F338 HydrophobicContact CH2-CD1 3.64Å; W114-F338 AromaticContact CH2-CE1 3.37Å; W114-F338 HydrophobicContact CH2-CE1 3.37Å; W114-F338 AromaticContact CZ2-CD1 3.88Å; W114-F338 HydrophobicContact CZ2-CD1 3.88Å; W114-F338 AromaticContact CZ2-CE1 3.57Å; W114-F338 HydrophobicContact CZ2-CE1 3.57Å; W114-F338 HydrophobicContact CZ3-CE1 4.13Å; N115-F338 HydrophobicContact CB-CE1 3.99Å; N115-F338 HydrophobicContact CB-CZ 4.09Å; N115-F338 WeakPolarHBondContact ND2-CZ 3.39Å; G241-F338 CarbonylContact O-C 3.57Å; Q242-F338 HydrophobicContact CB-CD1 3.94Å; Q242-F338 HydrophobicContact CB-CE1 3.83Å; Q242-F338 HydrophobicContact CG-CD1 4.34Å; C244-F338 HydrophobicContact CB-CE2 4.39Å; C244-F338 VanDerWaalsContact N-CE2 3.34Å; E336-F338 HydrophobicContact CG-CB 4.3Å; E336-F338 HydrophobicContact CG-CD2 4.25Å
339G98.7Very high97.7Very high0 Ų033.8 Ų33.80%019%0.189CC..SBendtrans-171.8179.2-175.400000112.1K236 A240 G241 I337 I341K236-G339 VanDerWaalsContact CE-O 3.28Å; K236-G339 WeakPolarHBondContact CE-O 3.5Å; K236-G339 PolarHBondContact NZ-O 2.94Å; A240-G339 CarbonylContact O-C 3.28Å; A240-G339 VanDerWaalsContact O-C 3.23Å; A240-G339 WeakPolarHBondContact O-CA 3.47Å; G241-G339 PolarHBondContact O-N 2.89Å; G241-G339 VanDerWaalsContact O-N 3.17Å; I337-G339 VanDerWaalsContact C-N 3.29Å; I337-G339 PolarHBondContact O-N 3.03Å; G339-I341 PolarHBondContact O-N 3.14Å
340P98.7Very high97.8Very high0 Ų028.5 Ų28.50%016%0.161CC..SBendtrans-84.245.8-169.136-36.2000111.9Y237 A240 I285 I318 T321Y237-P340 HydrophobicContact CD1-CB 3.78Å; Y237-P340 HydrophobicContact CE1-CB 4.05Å; Y237-P340 WeakPolarHBondContact CE1-O 3.38Å; A240-P340 WeakPolarHBondContact O-CD 3.5Å; A240-P340 VanDerWaalsContact O-N 3.12Å; I285-P340 HydrophobicContact CD1-CG 4.39Å; I318-P340 HydrophobicContact CB-CG 3.77Å; I318-P340 HydrophobicContact CG2-CG 3.86Å; I318-P340 WeakPolarHBondContact O-CG 3.36Å; T321-P340 PolarHBondContact N-O 3Å
341I98.9Very high97.9Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-123.3118.7-179.6-55166.1000108.7K236 L294 L298 T321 L323 L332 I337 G339 P343K236-I341 WeakPolarHBondContact CE-O 3.41Å; K236-I341 PolarHBondContact NZ-O 2.86Å; L294-I341 HydrophobicContact CB-CD1 4.2Å; L294-I341 HydrophobicContact CD2-CD1 3.95Å; L298-I341 HydrophobicContact CD1-CD1 3.91Å; L298-I341 HydrophobicContact CD1-CG1 4.28Å; L298-I341 HydrophobicContact CD2-CD1 3.79Å; L298-I341 HydrophobicContact CD2-CG1 4.03Å; L298-I341 HydrophobicContact CD2-CG2 3.84Å; L298-I341 HydrophobicContact CG-CD1 3.59Å; L298-I341 HydrophobicContact CG-CG1 4.24Å; T321-I341 CarbonylContact O-C 3.29Å; T321-I341 WeakPolarHBondContact O-CA 3.36Å; L323-I341 HydrophobicContact CD1-CG2 3.36Å; L332-I341 HydrophobicContact CD1-CG2 4.3Å; L332-I341 HydrophobicContact CD2-CG2 3.98Å; I337-I341 WeakPolarHBondContact CD1-O 3.15Å; I337-I341 HydrophobicContact CG2-CB 3.83Å; I337-I341 HydrophobicContact CG2-CD1 4.43Å; G339-I341 PolarHBondContact O-N 3.14Å; I341-P343 WeakPolarHBondContact O-CD 3.36Å
342L98.9Very high97.9Very high0 Ų036 Ų360%019%0.191CC..EExtended strand (participates in β ladder)trans-117.296.5-177.1-173.463.8000111.1L232 K236 V250 T321 V322 L323L232-L342 HydrophobicContact CD1-CD2 4.38Å; L232-L342 HydrophobicContact CD2-CD2 4.13Å; L232-L342 HydrophobicContact CG-CD2 4.16Å; K236-L342 HydrophobicContact CD-CB 4.37Å; K236-L342 HydrophobicContact CD-CD1 4.03Å; K236-L342 HydrophobicContact CG-CB 4.18Å; K236-L342 HydrophobicContact CG-CD1 4.28Å; K236-L342 HydrophobicContact CG-CD2 4.41Å; V250-L342 HydrophobicContact CG2-CD1 4.05Å; V250-L342 HydrophobicContact CG2-CD2 4.34Å; V250-L342 HydrophobicContact CG2-CG 4.35Å; T321-L342 PolarHBondContact O-N 3.43Å; V322-L342 WeakPolarHBondContact CA-O 3.44Å; V322-L342 HydrophobicContact CG2-CB 4.41Å; L323-L342 PolarHBondContact N-O 3.09Å
343P98.8Very high97.9Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-71.9136.2168.629.1-34.4000111.5D248 Y249 V250 V326 L332 M333 I337 I341 L345D248-P343 WeakPolarHBondContact O-CD 3.47Å; Y249-P343 WeakPolarHBondContact CA-O 3.2Å; V250-P343 PolarHBondContact N-O 2.93Å; V326-P343 HydrophobicContact CB-CB 4.18Å; V326-P343 HydrophobicContact CG1-CB 4Å; V326-P343 HydrophobicContact CG2-CB 3.77Å; L332-P343 HydrophobicContact CB-CG 4.48Å; L332-P343 HydrophobicContact CD1-CB 4.36Å; M333-P343 HydrophobicContact SD-CG 4.34Å; I337-P343 VanDerWaalsContact CD1-CD 3.41Å; I337-P343 HydrophobicContact CD1-CG 3.71Å; I341-P343 WeakPolarHBondContact O-CD 3.36Å; P343-L345 HydrophobicContact CB-CD1 4.29Å
344I98.8Very high97.9Very high0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-114.4117.4172.4-53.8-179.4000108.4V250 R257 V261 L264 V322 L323 V324V250-I344 HydrophobicContact CB-CB 4.42Å; V250-I344 HydrophobicContact CB-CG1 4.13Å; V250-I344 HydrophobicContact CB-CG2 4.22Å; V250-I344 HydrophobicContact CG1-CG2 4.12Å; R257-I344 HydrophobicContact CB-CG2 4.39Å; R257-I344 HydrophobicContact CG-CG2 4.05Å; V261-I344 HydrophobicContact CG2-CD1 4.18Å; L264-I344 HydrophobicContact CD1-CD1 3.98Å; V322-I344 HydrophobicContact CG1-CD1 3.61Å; V322-I344 HydrophobicContact CG1-CG1 4.07Å; L323-I344 PolarHBondContact O-N 3.39Å; V324-I344 HydrophobicContact CG1-CB 4.44Å
345L98.6Very high98.1Very high5 Ų538 Ų383%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-100132.9177.1-71.881.5000109.2Y249 V250 L251 C252 V326 M333 P343 L356Y249-L345 HydrophobicContact CD2-CD1 4.15Å; V250-L345 PolarHBondContact O-N 3.29Å; L251-L345 HydrophobicContact CD2-CB 3.79Å; L251-L345 HydrophobicContact CD2-CD2 4.37Å; C252-L345 PolarHBondContact N-O 3Å; V326-L345 HydrophobicContact CB-CD1 4.27Å; V326-L345 HydrophobicContact CB-CG 4.29Å; V326-L345 HydrophobicContact CG1-CD1 4.15Å; V326-L345 HydrophobicContact CG1-CG 4.35Å; V326-L345 WeakPolarHBondContact O-CG 3.49Å; M333-L345 HydrophobicContact CE-CD1 3.95Å; M333-L345 HydrophobicContact CE-CD2 3.9Å; M333-L345 HydrophobicContact CG-CD1 4.28Å; M333-L345 HydrophobicContact CG-CD2 4.26Å; M333-L345 HydrophobicContact SD-CD1 3.68Å; M333-L345 HydrophobicContact SD-CD2 4.35Å; P343-L345 HydrophobicContact CB-CD1 4.29Å; L345-L356 HydrophobicContact CD2-CD1 4.42Å
346T98.1Very high98.4Very high50 Ų5034 Ų3431%0.30716%0.163SC..EExtended strand (participates in β ladder)trans-92.1113.1178.9-61.80000110.6C252 K254 R257C252-T346 CarbonylContact O-C 3.49Å; C252-T346 VanDerWaalsContact O-CA 3.29Å; C252-T346 WeakPolarHBondContact O-CA 3.29Å; K254-T346 HydrophobicContact CB-CG2 3.74Å; R257-T346 WeakPolarHBondContact CD-OG1 3.12Å; R257-T346 PolarHBondContact NH1-OG1 3.4Å
347V98.1Very high98.4Very high24 Ų2431.8 Ų31.815%0.14515%0.153CC..  trans-132.3122177-175.80000107.8Y220 L251 C252 T253 K352 S353Y220-V347 WeakPolarHBondContact CE1-O 3.32Å; Y220-V347 PolarHBondContact OH-O 3.45Å; L251-V347 HydrophobicContact CD2-CG2 3.85Å; C252-V347 CarbonylContact C-O 3.46Å; C252-V347 PolarHBondContact O-N 3.03Å; T253-V347 PolarHBondContact N-O 3.02Å; V347-K352 HydrophobicContact CG1-CB 3.63Å; V347-S353 WeakPolarHBondContact CB-OG 3.42Å; V347-S353 WeakPolarHBondContact CG1-OG 3.46Å
348E96.6Very high98.4Very high112 Ų11235.9 Ų35.952%0.52318%0.175SC..SBendtrans-73-31.2-171-67.3-58.5140.700113.5K254K254-E348 WeakPolarHBondContact CB-OE1 3.47Å; K254-E348 PolarHBondContact N-OE1 2.89Å
349E97.9Very high98.3Very high89 Ų8940.7 Ų40.742%0.41619%0.192SC..  trans-113.4136.3-174.8-68.7160.9-138.900111E351 K352 S353E349-E351 PolarHBondContact O-N 2.85Å; E349-K352 HydrophobicContact CB-CB 4.41Å; E349-K352 HydrophobicContact CB-CD 4.17Å; E349-K352 HydrophobicContact CB-CG 4.21Å; E349-K352 PolarHBondContact O-N 3.13Å; E349-K352 IonicContact OE1-NZ 3.1Å; E349-K352 PolarHBondContact OE1-NZ 2.88Å; E349-K352 WeakPolarHBondContact OE2-CE 3.26Å; E349-K352 IonicContact OE2-NZ 2.9Å; E349-K352 PolarHBondContact OE2-NZ 3.23Å; E349-K352 VanDerWaalsContact OE2-NZ 3.16Å; E349-S353 PolarHBondContact O-N 3.25Å
350L98.6Very high98.2Very high17 Ų1743.4 Ų43.49%0.08920%0.204CC..Hα-helixtrans-58.2-41.1176.7174.464.4000111L218 Y220 K352 S353 I354 V375 T378L218-L350 HydrophobicContact CD2-CD1 3.91Å; Y220-L350 HydrophobicContact CD1-CB 4.23Å; Y220-L350 HydrophobicContact CD2-CD1 3.6Å; Y220-L350 HydrophobicContact CE2-CD1 4.11Å; Y220-L350 HydrophobicContact CG-CB 4.24Å; Y220-L350 HydrophobicContact CG-CD1 3.94Å; L350-K352 VanDerWaalsContact C-N 3.32Å; L350-K352 PolarHBondContact O-N 2.85Å; L350-S353 WeakPolarHBondContact O-CA 3.43Å; L350-S353 WeakPolarHBondContact O-CB 2.96Å; L350-S353 PolarHBondContact O-N 3.25Å; L350-S353 VanDerWaalsContact O-N 3.09Å; L350-I354 HydrophobicContact CD1-CD1 4.23Å; L350-I354 HydrophobicContact CD1-CG1 4.39Å; L350-I354 HydrophobicContact CD2-CD1 4.42Å; L350-I354 HydrophobicContact CG-CD1 3.9Å; L350-I354 HydrophobicContact CG-CG1 4.46Å; L350-I354 WeakPolarHBondContact O-CG1 3.28Å; L350-I354 PolarHBondContact O-N 2.67Å; L350-V375 HydrophobicContact CD1-CG1 4.41Å; L350-V375 HydrophobicContact CD2-CB 4.3Å; L350-V375 HydrophobicContact CD2-CG1 3.91Å; L350-V375 HydrophobicContact CD2-CG2 4.33Å; L350-T378 HydrophobicContact CD2-CG2 4.35Å
351E98.5Very high98.2Very high113 Ų11350 Ų5053%0.52824%0.235SC..Hα-helixtrans-60.9-41.1-177.9-67.270.2-156.500111.5E349 S353 I354 E355E349-E351 PolarHBondContact O-N 2.85Å; E351-S353 VanDerWaalsContact C-N 3.33Å; E351-S353 PolarHBondContact O-N 2.82Å; E351-I354 PolarHBondContact O-N 2.88Å; E351-E355 PolarHBondContact O-N 3.31Å
352K98.4Very high98.1Very high99 Ų9954.2 Ų54.243%0.4325%0.253SS..Hα-helixtrans-67.9-33.8175.9-70.5176.3-180152.90112V347 E349 L350 E355 L356V347-K352 HydrophobicContact CG1-CB 3.63Å; E349-K352 HydrophobicContact CB-CB 4.41Å; E349-K352 HydrophobicContact CB-CD 4.17Å; E349-K352 HydrophobicContact CB-CG 4.21Å; E349-K352 PolarHBondContact O-N 3.13Å; E349-K352 IonicContact OE1-NZ 3.1Å; E349-K352 PolarHBondContact OE1-NZ 2.88Å; E349-K352 WeakPolarHBondContact OE2-CE 3.26Å; E349-K352 IonicContact OE2-NZ 2.9Å; E349-K352 PolarHBondContact OE2-NZ 3.23Å; E349-K352 VanDerWaalsContact OE2-NZ 3.16Å; L350-K352 VanDerWaalsContact C-N 3.32Å; L350-K352 PolarHBondContact O-N 2.85Å; K352-E355 PolarHBondContact O-N 3.12Å; K352-L356 WeakPolarHBondContact O-CB 3.11Å; K352-L356 PolarHBondContact O-N 3.22Å
353S98.6Very high98.1Very high0 Ų054.4 Ų54.40%025%0.254CS..Hα-helixtrans-67.6-42.5173.2-75.80000112.3Y220 V347 E349 L350 E351 E355 L356 V357Y220-S353 PolarHBondContact OH-OG 3.02Å; V347-S353 WeakPolarHBondContact CB-OG 3.42Å; V347-S353 WeakPolarHBondContact CG1-OG 3.46Å; E349-S353 PolarHBondContact O-N 3.25Å; L350-S353 WeakPolarHBondContact O-CA 3.43Å; L350-S353 WeakPolarHBondContact O-CB 2.96Å; L350-S353 PolarHBondContact O-N 3.25Å; L350-S353 VanDerWaalsContact O-N 3.09Å; E351-S353 VanDerWaalsContact C-N 3.33Å; E351-S353 PolarHBondContact O-N 2.82Å; S353-E355 VanDerWaalsContact C-N 3.3Å; S353-E355 PolarHBondContact O-N 2.88Å; S353-L356 PolarHBondContact O-N 3.16Å; S353-V357 WeakPolarHBondContact O-CG2 3.17Å; S353-V357 PolarHBondContact O-N 3.09Å
354I98.8Very high98.1Very high12 Ų1254.6 Ų54.66%0.06226%0.255CS..Hα-helixtrans-60.7-43.2173.5-70.8169.5000110L218 L350 E351 V357 N358 T378 N382 T383L218-I354 HydrophobicContact CD2-CG1 4.21Å; L350-I354 HydrophobicContact CD1-CD1 4.23Å; L350-I354 HydrophobicContact CD1-CG1 4.39Å; L350-I354 HydrophobicContact CD2-CD1 4.42Å; L350-I354 HydrophobicContact CG-CD1 3.9Å; L350-I354 HydrophobicContact CG-CG1 4.46Å; L350-I354 WeakPolarHBondContact O-CG1 3.28Å; L350-I354 PolarHBondContact O-N 2.67Å; E351-I354 PolarHBondContact O-N 2.88Å; I354-V357 PolarHBondContact O-N 3.39Å; I354-N358 WeakPolarHBondContact O-CB 3.32Å; I354-N358 VanDerWaalsContact O-CG 3.26Å; I354-N358 PolarHBondContact O-N 2.99Å; I354-N358 PolarHBondContact O-ND2 3.08Å; I354-T378 HydrophobicContact CD1-CG2 3.98Å; I354-N382 HydrophobicContact CG2-CB 3.89Å; I354-N382 WeakPolarHBondContact CG2-O 2.93Å; I354-T383 HydrophobicContact CB-CG2 4.47Å; I354-T383 HydrophobicContact CG1-CG2 4.27Å; I354-T383 HydrophobicContact CG2-CG2 3.93Å
355E98.4Very high98.1Very high104 Ų10454.6 Ų54.649%0.48626%0.255SS..Hα-helixtrans-59.3-48.1175.1-166-166.6153.400111.7E351 K352 S353 V357 N358 R359E351-E355 PolarHBondContact O-N 3.31Å; K352-E355 PolarHBondContact O-N 3.12Å; S353-E355 VanDerWaalsContact C-N 3.3Å; S353-E355 PolarHBondContact O-N 2.88Å; E355-V357 VanDerWaalsContact C-N 3.34Å; E355-V357 PolarHBondContact O-N 3.38Å; E355-N358 PolarHBondContact O-N 3.23Å; E355-N358 VanDerWaalsContact O-N 3.15Å; E355-R359 WeakPolarHBondContact O-CG 3.33Å; E355-R359 PolarHBondContact O-N 3.41Å; E355-R359 IonicContact OE1-CZ 3Å; E355-R359 IonicContact OE1-NH1 3.65Å; E355-R359 PolarHBondContact OE1-NH1 2.62Å; E355-R359 IonicContact OE2-NH1 2.86Å
356L98Very high98.1Very high8 Ų854.3 Ų54.34%0.04225%0.254CS..Hα-helixtrans-58.1-46177.5-173.8160.4000111.5Y249 L251 E328 L345 K352 S353 N358 R359 K360Y249-L356 HydrophobicContact CE2-CD2 4.2Å; L251-L356 HydrophobicContact CD1-CD2 4.42Å; L251-L356 HydrophobicContact CD2-CD1 4.1Å; L251-L356 HydrophobicContact CD2-CD2 4.45Å; E328-L356 HydrophobicContact CB-CD1 4.4Å; E328-L356 HydrophobicContact CG-CD1 4.12Å; E328-L356 HydrophobicContact CG-CG 4.34Å; L345-L356 HydrophobicContact CD2-CD1 4.42Å; K352-L356 WeakPolarHBondContact O-CB 3.11Å; K352-L356 PolarHBondContact O-N 3.22Å; S353-L356 PolarHBondContact O-N 3.16Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 3.36Å; L356-R359 PolarHBondContact O-N 3.34Å; L356-K360 HydrophobicContact CD2-CD 4.22Å
357V98.4Very high98.2Very high6 Ų652 Ų524%0.03624%0.24CC..Hα-helixtrans-58.8-46175.9169.60000110.7P216 L218 L251 S353 I354 E355 R359 K360 L366 T383P216-V357 HydrophobicContact CB-CG2 3.82Å; P216-V357 HydrophobicContact CG-CG1 4.08Å; P216-V357 HydrophobicContact CG-CG2 3.83Å; L218-V357 HydrophobicContact CD1-CG2 4.11Å; L251-V357 HydrophobicContact CD1-CG2 3.83Å; S353-V357 WeakPolarHBondContact O-CG2 3.17Å; S353-V357 PolarHBondContact O-N 3.09Å; I354-V357 PolarHBondContact O-N 3.39Å; E355-V357 VanDerWaalsContact C-N 3.34Å; E355-V357 PolarHBondContact O-N 3.38Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.49Å; V357-K360 PolarHBondContact O-N 3.3Å; V357-K360 VanDerWaalsContact O-N 3.13Å; V357-L366 HydrophobicContact CG1-CD1 3.93Å; V357-T383 HydrophobicContact CG1-CG2 4.25Å
358N98.4Very high98.2Very high87 Ų8750.8 Ų50.847%0.46523%0.233SC..Hα-helixtrans-71.1-21.3-177.7-72.4-23.6000114I354 E355 L356 K360 N382I354-N358 WeakPolarHBondContact O-CB 3.32Å; I354-N358 VanDerWaalsContact O-CG 3.26Å; I354-N358 PolarHBondContact O-N 2.99Å; I354-N358 PolarHBondContact O-ND2 3.08Å; E355-N358 PolarHBondContact O-N 3.23Å; E355-N358 VanDerWaalsContact O-N 3.15Å; L356-N358 VanDerWaalsContact C-N 3.33Å; L356-N358 PolarHBondContact O-N 3.36Å; N358-K360 VanDerWaalsContact C-N 3.28Å; N358-N382 PolarHBondContact ND2-O 3.42Å
359R97.1Very high98.3Very high128 Ų12845.8 Ų45.848%0.48321%0.209SC..Hα-helixtrans-73.5-19.7171.4-72.3-167.6-59.6-111.94112.9E328 E355 L356 V357E328-R359 VanDerWaalsContact CD-NH2 3.27Å; E328-R359 IonicContact OE1-CZ 3.16Å; E328-R359 IonicContact OE1-NE 3.86Å; E328-R359 PolarHBondContact OE1-NE 2.88Å; E328-R359 IonicContact OE1-NH2 2.71Å; E328-R359 PolarHBondContact OE1-NH2 3.07Å; E328-R359 IonicContact OE2-CZ 3Å; E328-R359 IonicContact OE2-NH2 3.73Å; E328-R359 PolarHBondContact OE2-NH2 2.86Å; E355-R359 WeakPolarHBondContact O-CG 3.33Å; E355-R359 PolarHBondContact O-N 3.41Å; E355-R359 IonicContact OE1-CZ 3Å; E355-R359 IonicContact OE1-NH1 3.65Å; E355-R359 PolarHBondContact OE1-NH1 2.62Å; E355-R359 IonicContact OE2-NH1 2.86Å; L356-R359 PolarHBondContact O-N 3.34Å; V357-R359 VanDerWaalsContact C-N 3.31Å; V357-R359 PolarHBondContact O-N 3.49Å
360K96.1Very high98.3Very high57 Ų5741.6 Ų41.625%0.24819%0.19CC..SBendtrans-94.8168.4178.5-65.6-178.1-175-750110.8M333 L356 V357 N358M333-K360 PolarHBondContact O-NZ 2.96Å; L356-K360 HydrophobicContact CD2-CD 4.22Å; V357-K360 PolarHBondContact O-N 3.3Å; V357-K360 VanDerWaalsContact O-N 3.13Å; N358-K360 VanDerWaalsContact C-N 3.28Å
361E97.5Very high98.3Very high139 Ų13945.9 Ų45.965%0.6521%0.213SC*.PPolyproline II helixtrans-61.7145172.9-71.9-62.8164.100111.7P363 A409E361-P363 WeakPolarHBondContact O-CD 3.26Å; E361-A409 HydrophobicContact CB-CB 3.88Å; E361-A409 HydrophobicContact CG-CB 3.92Å; E361-A409 WeakPolarHBondContact OE2-CB 3.45Å
362K98.6Very high98.3Very high89 Ų8943 Ų4339%0.38720%0.199SC..PPolyproline II helixtrans-62.2120.7-177.7-66-178179.6-162.90111.3S384 V407 S410K362-S384 WeakPolarHBondContact CD-OG 3.17Å; K362-S384 WeakPolarHBondContact CE-OG 3.49Å; K362-S384 PolarHBondContact NZ-OG 2.92Å; K362-V407 HydrophobicContact CB-CG1 4.1Å; K362-V407 WeakPolarHBondContact CB-O 3.43Å; K362-V407 HydrophobicContact CD-CG1 3.91Å; K362-V407 HydrophobicContact CD-CG2 4.1Å; K362-S410 VanDerWaalsContact O-CB 3.23Å; K362-S410 WeakPolarHBondContact O-CB 3.44Å; K362-S410 PolarHBondContact O-OG 2.79Å
363P98.4Very high98.3Very high3 Ų343.2 Ų43.22%0.01921%0.213CC..PPolyproline II helixtrans-78.6161.8-175.533.8-37.4000112.2P216 E361 A365 S385 G386 S410P216-P363 HydrophobicContact CG-CG 4.33Å; E361-P363 WeakPolarHBondContact O-CD 3.26Å; P363-A365 WeakPolarHBondContact CB-O 3.41Å; P363-S385 VanDerWaalsContact O-CA 3.31Å; P363-S385 WeakPolarHBondContact O-CA 3.42Å; P363-S385 WeakPolarHBondContact O-CB 3.5Å; P363-G386 PolarHBondContact O-N 2.86Å; P363-S410 PolarHBondContact O-OG 2.95Å
364L98.6Very high98.2Very high4 Ų446.3 Ų46.32%0.02124%0.235CC..SBendtrans-67.3-39.4175.4-177.562.2000111.4L211 C244 V245 G386 G387 F404L211-L364 WeakPolarHBondContact O-CD2 3.38Å; C244-L364 HydrophobicContact CB-CD2 3.52Å; V245-L364 HydrophobicContact CG1-CD2 3.6Å; V245-L364 HydrophobicContact CG1-CG 3.97Å; L364-G386 CarbonylContact O-C 3.57Å; L364-G386 WeakPolarHBondContact O-CA 3.29Å; L364-G386 PolarHBondContact O-N 2.78Å; L364-G387 PolarHBondContact O-N 2.89Å; L364-F404 HydrophobicContact CD1-CE2 4.49Å; L364-F404 HydrophobicContact CD2-CE2 4.24Å; L364-F404 HydrophobicContact CD2-CZ 3.92Å; L364-F404 HydrophobicContact CG-CE2 4.4Å
365A98.6Very high98.2Very high0 Ų046.4 Ų46.40%024%0.236CC..EExtended strand (participates in β ladder)trans-131.7152174.500000111.3C215 V245 P363 Y367 G387C215-A365 WeakPolarHBondContact CA-O 3.19Å; C215-A365 HydrophobicContact CB-CB 4.39Å; C215-A365 VanDerWaalsContact CB-O 3.23Å; C215-A365 WeakPolarHBondContact CB-O 3.42Å; C215-A365 PolarHBondContact SG-N 3.23Å; C215-A365 PolarHBondContact SG-O 3.11Å; C215-A365 VanDerWaalsContact SG-O 3.38Å; V245-A365 HydrophobicContact CB-CB 4.19Å; V245-A365 HydrophobicContact CG1-CB 4.14Å; P363-A365 WeakPolarHBondContact CB-O 3.41Å; A365-Y367 HydrophobicContact CB-CE1 4.32Å; A365-Y367 HydrophobicContact CB-CE2 4.01Å; A365-Y367 WeakPolarHBondContact CB-OH 3.49Å; A365-G387 CarbonylContact C-O 3.55Å; A365-G387 WeakPolarHBondContact CA-O 3.43Å
366L98.8Very high98.3Very high0 Ų042.6 Ų42.60%022%0.22CC..EExtended strand (participates in β ladder)trans-130.1134170.6-174.5145000109.8P216 V357 T379 T383 S385 G387 F388 C389P216-L366 HydrophobicContact CG-CB 4.42Å; P216-L366 HydrophobicContact CG-CD1 3.77Å; P216-L366 HydrophobicContact CG-CG 3.86Å; V357-L366 HydrophobicContact CG1-CD1 3.93Å; L366-T379 HydrophobicContact CD2-CG2 3.7Å; L366-T383 HydrophobicContact CD1-CG2 4.01Å; L366-S385 WeakPolarHBondContact CB-OG 3.43Å; L366-G387 PolarHBondContact N-O 3.21Å; L366-F388 HydrophobicContact CB-CD2 4.39Å; L366-F388 HydrophobicContact CD2-CD2 3.47Å; L366-F388 VanDerWaalsContact CD2-CD2 3.47Å; L366-F388 HydrophobicContact CD2-CE2 3.37Å; L366-F388 HydrophobicContact CG-CD2 4.49Å; L366-F388 WeakPolarHBondContact O-CA 3.42Å; L366-C389 PolarHBondContact O-N 3.32Å
367Y98.9Very high98.3Very high0 Ų047.6 Ų47.60%024%0.241CC..EExtended strand (participates in β ladder)trans-117.1139.2-178.4-56.5-62.9000111.4C215 P216 C217 L218 V245 P247 A365 C389 D392 I394C215-Y367 HydrophobicContact CB-CE2 4.36Å; P216-Y367 PolarHBondContact O-N 3.28Å; C217-Y367 WeakPolarHBondContact CA-O 3.34Å; L218-Y367 PolarHBondContact N-O 3.12Å; V245-Y367 VanDerWaalsContact O-CE2 3.29Å; V245-Y367 WeakPolarHBondContact O-CE2 3.45Å; V245-Y367 PolarHBondContact O-OH 2.89Å; P247-Y367 HydrophobicContact CB-CD2 4.44Å; P247-Y367 HydrophobicContact CG-CD2 3.99Å; P247-Y367 HydrophobicContact CG-CE2 4.03Å; A365-Y367 HydrophobicContact CB-CE1 4.32Å; A365-Y367 HydrophobicContact CB-CE2 4.01Å; A365-Y367 WeakPolarHBondContact CB-OH 3.49Å; Y367-C389 WeakPolarHBondContact CA-O 3.29Å; Y367-C389 HydrophobicContact CD1-CB 3.78Å; Y367-C389 HydrophobicContact CE1-CB 3.79Å; Y367-D392 WeakPolarHBondContact CD1-O 3.43Å; Y367-I394 PolarHBondContact OH-N 3.03Å; Y367-I394 VanDerWaalsContact OH-N 3.12Å
368V98.8Very high98.3Very high0 Ų049.5 Ų49.50%025%0.253CS..EExtended strand (participates in β ladder)trans-133.3129.417064.20000110.6L218 V375 V376 T379 F388 C389 S390 N391L218-V368 HydrophobicContact CB-CG2 4.31Å; L218-V368 CarbonylContact O-C 3.45Å; L218-V368 VanDerWaalsContact O-CA 3.27Å; L218-V368 WeakPolarHBondContact O-CA 3.28Å; V368-V375 HydrophobicContact CG2-CG1 4.02Å; V368-V376 HydrophobicContact CG1-CB 4.35Å; V368-V376 HydrophobicContact CG1-CG1 4.06Å; V368-V376 HydrophobicContact CG1-CG2 4.16Å; V368-T379 HydrophobicContact CB-CG2 4.29Å; V368-T379 HydrophobicContact CG2-CG2 4.48Å; V368-F388 HydrophobicContact CB-CZ 4.45Å; V368-F388 HydrophobicContact CG1-CE1 4.04Å; V368-F388 HydrophobicContact CG1-CE2 4.1Å; V368-F388 HydrophobicContact CG1-CZ 3.39Å; V368-C389 PolarHBondContact N-O 3.02Å; V368-S390 CarbonylContact O-C 3.6Å; V368-S390 WeakPolarHBondContact O-CA 3.46Å; V368-N391 PolarHBondContact O-N 3.49Å
369F98.8Very high98.3Very high6 Ų645.4 Ų45.43%0.02623%0.231CC..EExtended strand (participates in β ladder)trans-110.9112.5176-74.268.5000108.7C217 L218 I219 Y220 I223 A228 R231 N391C217-F369 WeakPolarHBondContact SG-CD1 3.21Å; C217-F369 VanDerWaalsContact SG-CE1 3.55Å; L218-F369 PolarHBondContact O-N 3.11Å; I219-F369 HydrophobicContact CB-CB 4.45Å; I219-F369 HydrophobicContact CG1-CB 4.14Å; I219-F369 HydrophobicContact CG2-CB 4.1Å; Y220-F369 PolarHBondContact N-O 3.01Å; I223-F369 WeakPolarHBondContact CG2-O 3.27Å; A228-F369 HydrophobicContact CB-CD2 3.76Å; A228-F369 HydrophobicContact CB-CE2 4.34Å; R231-F369 HydrophobicContact CB-CE2 3.89Å; R231-F369 HydrophobicContact CB-CZ 4.13Å; F369-N391 WeakPolarHBondContact CA-OD1 3.45Å
370S98.4Very high98.4Very high2 Ų244 Ų441%0.01423%0.231CC..  trans-166.9140.5177.9-158.70000111.3Y220 E372 N391Y220-S370 VanDerWaalsContact O-CB 3.25Å; Y220-S370 WeakPolarHBondContact O-CB 3.43Å; Y220-S370 PolarHBondContact O-OG 2.68Å; S370-E372 PolarHBondContact OG-N 2.85Å; S370-N391 PolarHBondContact N-OD1 3.16Å; S370-N391 PolarHBondContact O-ND2 2.76Å; S370-N391 PolarHBondContact O-OD1 2.78Å
371D97.8Very high98.5Very high106 Ų10647 Ų4757%0.56725%0.246SC*.SBendtrans-83.1-4.5167-66.2-33.8000111.9R222R222-D371 WeakPolarHBondContact O-CB 3.34Å; R222-D371 PolarHBondContact O-N 2.83Å
372E98.4Very high98.6Very high53 Ų5344.6 Ų44.625%0.24824%0.237CC..  trans-93.8114.3178.9-65.3177.6-139.500110.9G221 R222 S370 S374 V375 V376G221-E372 WeakPolarHBondContact CA-OE1 3.32Å; R222-E372 HydrophobicContact CB-CG 4.38Å; R222-E372 WeakPolarHBondContact CG-OE1 3.44Å; R222-E372 PolarHBondContact N-OE1 3.09Å; R222-E372 IonicContact NE-OE1 3.45Å; S370-E372 PolarHBondContact OG-N 2.85Å; E372-S374 PolarHBondContact O-N 2.82Å; E372-V375 HydrophobicContact CB-CB 4.29Å; E372-V375 HydrophobicContact CB-CG2 3.93Å; E372-V375 PolarHBondContact O-N 3.22Å; E372-V376 PolarHBondContact O-N 2.8Å
373S98Very high98.6Very high103 Ų10341.3 Ų41.372%0.7223%0.225SC*.Hα-helixtrans-61-28.3-18058.30000113.2K377S373-K377 WeakPolarHBondContact O-CB 3.32Å; S373-K377 PolarHBondContact O-N 2.93Å
374S98.4Very high98.6Very high65 Ų6543.2 Ų43.246%0.45524%0.239SC..Hα-helixtrans-62.7-45.8172.9470000111.9E372 K377 T378E372-S374 PolarHBondContact O-N 2.82Å; S374-K377 PolarHBondContact O-N 2.85Å; S374-T378 VanDerWaalsContact O-CB 3.28Å; S374-T378 WeakPolarHBondContact O-CB 3.28Å; S374-T378 PolarHBondContact O-N 3.19Å; S374-T378 PolarHBondContact O-OG1 3.18Å
375V98.7Very high98.6Very high14 Ų1444.1 Ų44.19%0.08525%0.245CC..Hα-helixtrans-61.9-46.8178.41710000110.7L350 V368 E372 T379L350-V375 HydrophobicContact CD1-CG1 4.41Å; L350-V375 HydrophobicContact CD2-CB 4.3Å; L350-V375 HydrophobicContact CD2-CG1 3.91Å; L350-V375 HydrophobicContact CD2-CG2 4.33Å; V368-V375 HydrophobicContact CG2-CG1 4.02Å; E372-V375 HydrophobicContact CB-CB 4.29Å; E372-V375 HydrophobicContact CB-CG2 3.93Å; E372-V375 PolarHBondContact O-N 3.22Å; V375-T379 WeakPolarHBondContact O-CB 3.4Å; V375-T379 PolarHBondContact O-N 3.18Å; V375-T379 PolarHBondContact O-OG1 2.7Å
376V98.7Very high98.6Very high24 Ų2445.6 Ų45.615%0.14526%0.26CS..Hα-helixtrans-62.3-49.1178.8179.60000110.9V368 E372 T379 M380 F388V368-V376 HydrophobicContact CG1-CB 4.35Å; V368-V376 HydrophobicContact CG1-CG1 4.06Å; V368-V376 HydrophobicContact CG1-CG2 4.16Å; E372-V376 PolarHBondContact O-N 2.8Å; V376-T379 PolarHBondContact O-N 2.86Å; V376-M380 WeakPolarHBondContact O-CB 3.18Å; V376-M380 PolarHBondContact O-N 3.27Å; V376-F388 HydrophobicContact CG1-CE1 4.02Å; V376-F388 HydrophobicContact CG1-CZ 4.14Å
377K98.6Very high98.5Very high113 Ų11346.2 Ų46.249%0.49127%0.267SS..Hα-helixtrans-62-49.8-179.6-177.1-178.1176.2-173.20111.6S373 S374 T379 M380 E381S373-K377 WeakPolarHBondContact O-CB 3.32Å; S373-K377 PolarHBondContact O-N 2.93Å; S374-K377 PolarHBondContact O-N 2.85Å; K377-T379 VanDerWaalsContact C-N 3.3Å; K377-T379 PolarHBondContact O-N 2.9Å; K377-M380 PolarHBondContact O-N 2.92Å; K377-E381 WeakPolarHBondContact CE-OE1 3.24Å; K377-E381 VanDerWaalsContact CE-OE2 3.29Å; K377-E381 WeakPolarHBondContact CE-OE2 3.36Å; K377-E381 HydrophobicContact CG-CG 4.24Å; K377-E381 IonicContact NZ-OE1 2.78Å; K377-E381 WeakPolarHBondContact O-CB 3.44Å; K377-E381 WeakPolarHBondContact O-CG 3.42Å; K377-E381 PolarHBondContact O-N 2.84Å
378T98.7Very high98.5Very high47 Ų4748.8 Ų48.829%0.28828%0.278SS..Hα-helixtrans-58.5-43.8179.2-63.80000111L350 I354 S374 N382L350-T378 HydrophobicContact CD2-CG2 4.35Å; I354-T378 HydrophobicContact CD1-CG2 3.98Å; S374-T378 VanDerWaalsContact O-CB 3.28Å; S374-T378 WeakPolarHBondContact O-CB 3.28Å; S374-T378 PolarHBondContact O-N 3.19Å; S374-T378 PolarHBondContact O-OG1 3.18Å; T378-N382 WeakPolarHBondContact O-CB 3.43Å; T378-N382 PolarHBondContact O-N 3.04Å; T378-N382 VanDerWaalsContact O-N 3.13Å; T378-N382 PolarHBondContact O-ND2 2.87Å
379T98.8Very high98.5Very high0 Ų049.5 Ų49.50%028%0.283CS..Hα-helixtrans-63-47.3177.3-52.40000111.4L218 L366 V368 V375 V376 K377 E381 N382 T383 F388L218-T379 HydrophobicContact CD2-CG2 3.92Å; L366-T379 HydrophobicContact CD2-CG2 3.7Å; V368-T379 HydrophobicContact CB-CG2 4.29Å; V368-T379 HydrophobicContact CG2-CG2 4.48Å; V375-T379 WeakPolarHBondContact O-CB 3.4Å; V375-T379 PolarHBondContact O-N 3.18Å; V375-T379 PolarHBondContact O-OG1 2.7Å; V376-T379 PolarHBondContact O-N 2.86Å; K377-T379 VanDerWaalsContact C-N 3.3Å; K377-T379 PolarHBondContact O-N 2.9Å; T379-E381 PolarHBondContact O-N 2.91Å; T379-N382 PolarHBondContact O-N 3.12Å; T379-T383 HydrophobicContact CG2-CG2 4.44Å; T379-T383 WeakPolarHBondContact O-CB 3.49Å; T379-T383 WeakPolarHBondContact O-CG2 3.28Å; T379-T383 PolarHBondContact O-N 2.6Å; T379-T383 PolarHBondContact O-OG1 3.44Å; T379-F388 HydrophobicContact CG2-CE2 4.12Å
380M98.5Very high98.4Very high98 Ų9851.7 Ų51.748%0.48330%0.299SS..Hα-helixtrans-63.2-41.3-179-171174.661.100112.7V376 K377 F388V376-M380 WeakPolarHBondContact O-CB 3.18Å; V376-M380 PolarHBondContact O-N 3.27Å; K377-M380 PolarHBondContact O-N 2.92Å; M380-F388 HydrophobicContact CB-CD1 4.47Å; M380-F388 HydrophobicContact CB-CD2 4.32Å; M380-F388 HydrophobicContact CB-CE1 3.97Å; M380-F388 HydrophobicContact CB-CE2 3.78Å; M380-F388 HydrophobicContact CB-CZ 3.58Å; M380-F388 HydrophobicContact CG-CD1 4.14Å; M380-F388 HydrophobicContact CG-CD2 4.3Å; M380-F388 HydrophobicContact CG-CE1 4.1Å; M380-F388 HydrophobicContact CG-CE2 4.25Å; M380-F388 HydrophobicContact CG-CG 4.24Å; M380-F388 HydrophobicContact CG-CZ 4.14Å; M380-F388 HydrophobicContact SD-CD1 4.11Å; M380-F388 HydrophobicContact SD-CE1 4.1Å
381E98.6Very high98.4Very high121 Ų12153.6 Ų53.657%0.56531%0.309SS*.Hα-helixtrans-77.9-23.7-176.9-70.6179.4163.600113.4K377 T379K377-E381 WeakPolarHBondContact CE-OE1 3.24Å; K377-E381 VanDerWaalsContact CE-OE2 3.29Å; K377-E381 WeakPolarHBondContact CE-OE2 3.36Å; K377-E381 HydrophobicContact CG-CG 4.24Å; K377-E381 IonicContact NZ-OE1 2.78Å; K377-E381 WeakPolarHBondContact O-CB 3.44Å; K377-E381 WeakPolarHBondContact O-CG 3.42Å; K377-E381 PolarHBondContact O-N 2.84Å; T379-E381 PolarHBondContact O-N 2.91Å
382N98.8Very high98.4Very high88 Ų8850.3 Ų50.347%0.47129%0.292SS..THydrogen-bonded Turntrans-111.113.6-174-63.5-84000113.7I354 N358 T378 T379I354-N382 HydrophobicContact CG2-CB 3.89Å; I354-N382 WeakPolarHBondContact CG2-O 2.93Å; N358-N382 PolarHBondContact ND2-O 3.42Å; T378-N382 WeakPolarHBondContact O-CB 3.43Å; T378-N382 PolarHBondContact O-N 3.04Å; T378-N382 VanDerWaalsContact O-N 3.13Å; T378-N382 PolarHBondContact O-ND2 2.87Å; T379-N382 PolarHBondContact O-N 3.12Å
383T98.8Very high98.3Very high21 Ų2147.9 Ų47.913%0.12928%0.28CS..  trans-132.3170.4174.261.50000111.3I354 V357 L366 T379I354-T383 HydrophobicContact CB-CG2 4.47Å; I354-T383 HydrophobicContact CG1-CG2 4.27Å; I354-T383 HydrophobicContact CG2-CG2 3.93Å; V357-T383 HydrophobicContact CG1-CG2 4.25Å; L366-T383 HydrophobicContact CD1-CG2 4.01Å; T379-T383 HydrophobicContact CG2-CG2 4.44Å; T379-T383 WeakPolarHBondContact O-CB 3.49Å; T379-T383 WeakPolarHBondContact O-CG2 3.28Å; T379-T383 PolarHBondContact O-N 2.6Å; T379-T383 PolarHBondContact O-OG1 3.44Å
384S98.6Very high98.1Very high43 Ų4343.5 Ų43.530%0.30125%0.249SC..  trans-139.7124.6175.7-1760000110.2K362K362-S384 WeakPolarHBondContact CD-OG 3.17Å; K362-S384 WeakPolarHBondContact CE-OG 3.49Å; K362-S384 PolarHBondContact NZ-OG 2.92Å
385S98.7Very high97.9Very high23 Ų2342.8 Ų42.816%0.16124%0.242CC..  trans-144.7170.3178.857.60000110.4P363 L366 G387P363-S385 VanDerWaalsContact O-CA 3.31Å; P363-S385 WeakPolarHBondContact O-CA 3.42Å; P363-S385 WeakPolarHBondContact O-CB 3.5Å; L366-S385 WeakPolarHBondContact CB-OG 3.43Å; S385-G387 WeakPolarHBondContact CB-O 3.3Å; S385-G387 PolarHBondContact OG-O 2.97Å
386G98.3Very high97.6Very high30 Ų3043.5 Ų43.531%0.30924%0.244SC..SBendtrans-65.6-54.8172.500000112.1P363 L364 G405P363-G386 PolarHBondContact O-N 2.86Å; L364-G386 CarbonylContact O-C 3.57Å; L364-G386 WeakPolarHBondContact O-CA 3.29Å; L364-G386 PolarHBondContact O-N 2.78Å; G386-G405 CarbonylContact C-O 3.6Å; G386-G405 WeakPolarHBondContact CA-O 3.29Å
387G97.8Very high97.2Very high14 Ų1443.3 Ų43.314%0.14424%0.242CC..EExtended strand (participates in β ladder)trans-120.4156.1172.400000112.6L364 A365 L366 S385L364-G387 PolarHBondContact O-N 2.89Å; A365-G387 CarbonylContact C-O 3.55Å; A365-G387 WeakPolarHBondContact CA-O 3.43Å; L366-G387 PolarHBondContact N-O 3.21Å; S385-G387 WeakPolarHBondContact CB-O 3.3Å; S385-G387 PolarHBondContact OG-O 2.97Å
388F98.3Very high96.8Very high53 Ų5341.7 Ų41.723%0.23224%0.241CC..EExtended strand (participates in β ladder)trans-130.7130.4174.8-178.7-86.4000109L366 V368 V376 T379 M380L366-F388 HydrophobicContact CB-CD2 4.39Å; L366-F388 HydrophobicContact CD2-CD2 3.47Å; L366-F388 VanDerWaalsContact CD2-CD2 3.47Å; L366-F388 HydrophobicContact CD2-CE2 3.37Å; L366-F388 HydrophobicContact CG-CD2 4.49Å; L366-F388 WeakPolarHBondContact O-CA 3.42Å; V368-F388 HydrophobicContact CB-CZ 4.45Å; V368-F388 HydrophobicContact CG1-CE1 4.04Å; V368-F388 HydrophobicContact CG1-CE2 4.1Å; V368-F388 HydrophobicContact CG1-CZ 3.39Å; V376-F388 HydrophobicContact CG1-CE1 4.02Å; V376-F388 HydrophobicContact CG1-CZ 4.14Å; T379-F388 HydrophobicContact CG2-CE2 4.12Å; M380-F388 HydrophobicContact CB-CD1 4.47Å; M380-F388 HydrophobicContact CB-CD2 4.32Å; M380-F388 HydrophobicContact CB-CE1 3.97Å; M380-F388 HydrophobicContact CB-CE2 3.78Å; M380-F388 HydrophobicContact CB-CZ 3.58Å; M380-F388 HydrophobicContact CG-CD1 4.14Å; M380-F388 HydrophobicContact CG-CD2 4.3Å; M380-F388 HydrophobicContact CG-CE1 4.1Å; M380-F388 HydrophobicContact CG-CE2 4.25Å; M380-F388 HydrophobicContact CG-CG 4.24Å; M380-F388 HydrophobicContact CG-CZ 4.14Å; M380-F388 HydrophobicContact SD-CD1 4.11Å; M380-F388 HydrophobicContact SD-CE1 4.1Å
389C98.2Very high96.5Very high16 Ų1644 Ų4411%0.10825%0.251CS..EExtended strand (participates in β ladder)trans-137.1129.8176.4-172.60000110L366 Y367 V368 H396L366-C389 PolarHBondContact O-N 3.32Å; Y367-C389 WeakPolarHBondContact CA-O 3.29Å; Y367-C389 HydrophobicContact CD1-CB 3.78Å; Y367-C389 HydrophobicContact CE1-CB 3.79Å; V368-C389 PolarHBondContact N-O 3.02Å; C389-H396 HydrophobicContact CB-CB 4.26Å
390S98Very high96.1Very high52 Ų5245.1 Ų45.136%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-103138.1176.662.50000110.5V368 D392V368-S390 CarbonylContact O-C 3.6Å; V368-S390 WeakPolarHBondContact O-CA 3.46Å; S390-D392 PolarHBondContact O-N 3.37Å
391N98.1Very high95.8Very high41 Ų4142.7 Ų42.722%0.21926%0.258CS..SBendtrans60.815.3177.8-62.8-43000115.1R231 V368 F369 S370R231-N391 WeakPolarHBondContact CD-O 3.33Å; R231-N391 PolarHBondContact NE-O 3.23Å; R231-N391 PolarHBondContact NH1-O 3.35Å; V368-N391 PolarHBondContact O-N 3.49Å; F369-N391 WeakPolarHBondContact CA-OD1 3.45Å; S370-N391 PolarHBondContact N-OD1 3.16Å; S370-N391 PolarHBondContact O-ND2 2.76Å; S370-N391 PolarHBondContact O-OD1 2.78Å
392D97.8Very high95.6Very high38 Ų3840.8 Ų40.820%0.20325%0.252CS..  trans-155.7170.6172.4-142-33.6000110.9R231 Y367 S390 V395R231-D392 IonicContact NE-OD2 2.81Å; Y367-D392 WeakPolarHBondContact CD1-O 3.43Å; S390-D392 PolarHBondContact O-N 3.37Å; D392-V395 HydrophobicContact CB-CG2 3.82Å
393G95.3Very high95.6Very high1 Ų139.6 Ų39.61%0.0125%0.249CC..SBendtrans-126.6153.917700000111.4W234 V395W234-G393 WeakPolarHBondContact CZ3-O 3.46Å; G393-V395 PolarHBondContact O-N 3.39Å
394I94.8Very high95.5Very high12 Ų1239.4 Ų39.46%0.06225%0.246CC..SBendtrans63.3-50.3178.2-56.8-175.5000115.5W234 A235 F238 V245 Y367 H396 M397W234-I394 HydrophobicContact CH2-CB 4.22Å; W234-I394 HydrophobicContact CH2-CG2 4.36Å; W234-I394 HydrophobicContact CZ3-CB 4.02Å; A235-I394 HydrophobicContact CB-CD1 4.26Å; A235-I394 HydrophobicContact CB-CG1 4.09Å; A235-I394 WeakPolarHBondContact O-CD1 3.17Å; F238-I394 HydrophobicContact CB-CD1 4.43Å; V245-I394 HydrophobicContact CG2-CG1 4.1Å; V245-I394 HydrophobicContact CG2-CG2 4.39Å; Y367-I394 PolarHBondContact OH-N 3.03Å; Y367-I394 VanDerWaalsContact OH-N 3.12Å; I394-H396 PolarHBondContact O-N 2.87Å; I394-H396 PolarHBondContact O-ND1 2.92Å; I394-M397 HydrophobicContact CG2-CG 4.22Å; I394-M397 HydrophobicContact CG2-SD 3.89Å; I394-M397 VanDerWaalsContact O-CG 3.24Å; I394-M397 WeakPolarHBondContact O-CG 3.39Å; I394-M397 PolarHBondContact O-N 2.95Å
395V93.8Very high95.5Very high50 Ų5037.8 Ų37.830%0.30324%0.236SC..G310 helixtrans-52.1-28.1-164.7-63.20000116.4W234 D392 G393 M397 T398W234-V395 HydrophobicContact CH2-CG1 4.08Å; W234-V395 HydrophobicContact CZ3-CG1 3.95Å; D392-V395 HydrophobicContact CB-CG2 3.82Å; G393-V395 PolarHBondContact O-N 3.39Å; V395-M397 PolarHBondContact O-N 3.05Å; V395-M397 VanDerWaalsContact O-N 3.16Å; V395-T398 PolarHBondContact O-N 2.8Å; V395-T398 PolarHBondContact O-OG1 2.75Å
396H92Very high95.5Very high28 Ų2837.2 Ų37.213%0.1323%0.234CC..G310 helixtrans-57.9-28.3175.872-69.1000113.3C389 I394 T398C389-H396 HydrophobicContact CB-CB 4.26Å; I394-H396 PolarHBondContact O-N 2.87Å; I394-H396 PolarHBondContact O-ND1 2.92Å; H396-T398 PolarHBondContact O-N 3.43Å
397M92Very high95.5Very high20 Ų2038 Ų3810%0.09923%0.233CC..G310 helixtrans-75.2-10.9178.480.4177.9-86.400113.6I66 V245 I394 V395 L399 F404 H416I66-M397 HydrophobicContact CD1-CE 4.33Å; V245-M397 HydrophobicContact CG2-SD 3.75Å; I394-M397 HydrophobicContact CG2-CG 4.22Å; I394-M397 HydrophobicContact CG2-SD 3.89Å; I394-M397 VanDerWaalsContact O-CG 3.24Å; I394-M397 WeakPolarHBondContact O-CG 3.39Å; I394-M397 PolarHBondContact O-N 2.95Å; V395-M397 PolarHBondContact O-N 3.05Å; V395-M397 VanDerWaalsContact O-N 3.16Å; M397-L399 VanDerWaalsContact C-N 3.34Å; M397-F404 HydrophobicContact CB-CD2 3.97Å; M397-F404 HydrophobicContact CB-CE2 4.1Å; M397-H416 PolarHBondContact O-CE1 2.95Å; M397-H416 PolarHBondContact O-ND1 3.26Å
398T89.8Confident95.5Very high79 Ų7939.5 Ų39.549%0.48525%0.248SC..G310 helixtrans-87.1-8.7-175.470.80000112.7V395 H396 P400V395-T398 PolarHBondContact O-N 2.8Å; V395-T398 PolarHBondContact O-OG1 2.75Å; H396-T398 PolarHBondContact O-N 3.43Å; T398-P400 WeakPolarHBondContact O-CD 3.43Å
399L91.8Very high95.5Very high96 Ų9638 Ų3850%0.50325%0.245SC..  trans-96.4108.3-177.1-177.859.7000110.6M397 G401 L402M397-L399 VanDerWaalsContact C-N 3.34Å; L399-G401 PolarHBondContact O-N 3.27Å; L399-L402 HydrophobicContact CB-CD1 4.4Å; L399-L402 HydrophobicContact CB-CG 4.49Å; L399-L402 HydrophobicContact CD2-CD1 4.11Å; L399-L402 HydrophobicContact CD2-CG 4.03Å; L399-L402 HydrophobicContact CG-CG 4.41Å; L399-L402 PolarHBondContact O-N 3.37Å
400P90.1Very high95.5Very high24 Ų2437.2 Ų37.216%0.15624%0.24CC..THydrogen-bonded Turntrans-63.2-13.4-176.4-23.935.2000115T398T398-P400 WeakPolarHBondContact O-CD 3.43Å
401G91.7Very high95.5Very high46 Ų4634.8 Ų34.847%0.47422%0.223SC..THydrogen-bonded Turntrans-74.9-23.4175.300000113.7L399 W419L399-G401 PolarHBondContact O-N 3.27Å; G401-W419 PolarHBondContact O-NE1 3.43Å
402L96Very high95.5Very high81 Ų8138.3 Ų38.342%0.42423%0.234SC..SBendtrans-89.5137.1175.6-65.2176.6000109.7L399 F404L399-L402 HydrophobicContact CB-CD1 4.4Å; L399-L402 HydrophobicContact CB-CG 4.49Å; L399-L402 HydrophobicContact CD2-CD1 4.11Å; L399-L402 HydrophobicContact CD2-CG 4.03Å; L399-L402 HydrophobicContact CG-CG 4.41Å; L399-L402 PolarHBondContact O-N 3.37Å; L402-F404 PolarHBondContact O-N 2.84Å
403P97.3Very high95.5Very high63 Ų6338.3 Ų38.341%0.40924%0.242SC..  trans-68.5129.9170.427.8-30.6000108.9W419P403-W419 VanDerWaalsContact CA-CD1 3.47Å; P403-W419 HydrophobicContact CB-CB 4.3Å; P403-W419 HydrophobicContact CB-CD2 3.82Å; P403-W419 HydrophobicContact CB-CE3 4.42Å; P403-W419 HydrophobicContact CB-CG 3.73Å; P403-W419 HydrophobicContact CG-CD2 4.38Å; P403-W419 HydrophobicContact CG-CZ2 4.38Å
404F98.3Very high95.6Very high18 Ų1839.9 Ų39.98%0.07925%0.253CS..BIsolated β-bridgetrans-104.2123.7170.5179.6-116000109V245 L364 M397 L402 S414 Y415 H416V245-F404 HydrophobicContact CG1-CE2 3.83Å; V245-F404 HydrophobicContact CG1-CZ 4.1Å; L364-F404 HydrophobicContact CD1-CE2 4.49Å; L364-F404 HydrophobicContact CD2-CE2 4.24Å; L364-F404 HydrophobicContact CD2-CZ 3.92Å; L364-F404 HydrophobicContact CG-CE2 4.4Å; M397-F404 HydrophobicContact CB-CD2 3.97Å; M397-F404 HydrophobicContact CB-CE2 4.1Å; L402-F404 PolarHBondContact O-N 2.84Å; F404-S414 CarbonylContact O-C 3.56Å; F404-S414 WeakPolarHBondContact O-CA 3.22Å; F404-S414 VanDerWaalsContact O-CB 3.3Å; F404-S414 WeakPolarHBondContact O-CB 3.36Å; F404-Y415 HydrophobicContact CD1-CD1 4.19Å; F404-Y415 AromaticContact CD1-CE1 3.33Å; F404-Y415 HydrophobicContact CD1-CE1 3.33Å; F404-Y415 AromaticContact CD1-CZ 3.81Å; F404-Y415 AromaticContact CE1-CE1 3.9Å; F404-Y415 HydrophobicContact CE1-CE1 3.9Å; F404-Y415 HydrophobicContact CG-CE1 4.37Å; F404-Y415 PolarHBondContact N-O 3.29Å; F404-Y415 VanDerWaalsContact N-O 3.09Å; F404-Y415 WeakPolarHBondContact O-CD1 3.4Å; F404-Y415 PolarHBondContact O-N 3.42Å; F404-H416 VanDerWaalsContact CB-CE1 3.49Å; F404-H416 WeakPolarHBondContact CB-CE1 3.38Å; F404-H416 AromaticContact CD1-CE1 3.69Å; F404-H416 AromaticContact CD1-NE2 3.58Å; F404-H416 AromaticContact CG-CE1 3.74Å
405G97.9Very high95.8Very high8 Ų839.3 Ų39.38%0.08225%0.25CS..  trans179.1156.3-175.200000112.4E210 G386E210-G405 WeakPolarHBondContact OE1-CA 3.42Å; E210-G405 WeakPolarHBondContact OE2-CA 3.39Å; G386-G405 CarbonylContact C-O 3.6Å; G386-G405 WeakPolarHBondContact CA-O 3.29Å
406G98.1Very high95.9Very high12 Ų1237.2 Ų37.212%0.12424%0.237CC..  trans-87.7177176.400000114.6G411G406-G411 CarbonylContact C-O 3.46Å; G406-G411 VanDerWaalsContact C-O 3.29Å
407V98.5Very high96.2Very high47 Ų4736 Ų3629%0.28523%0.233SC..  trans-141.3130.817158.30000110.4K362 A409 S410 G411K362-V407 HydrophobicContact CB-CG1 4.1Å; K362-V407 WeakPolarHBondContact CB-O 3.43Å; K362-V407 HydrophobicContact CD-CG1 3.91Å; K362-V407 HydrophobicContact CD-CG2 4.1Å; V407-A409 PolarHBondContact O-N 2.91Å; V407-S410 PolarHBondContact N-OG 2.99Å; V407-S410 PolarHBondContact O-OG 3.31Å; V407-G411 CarbonylContact C-O 3.59Å; V407-G411 VanDerWaalsContact C-O 3.28Å; V407-G411 WeakPolarHBondContact CA-O 3.15Å; V407-G411 PolarHBondContact N-O 2.95Å
408G97.8Very high96.5Very high45 Ų4540.4 Ų40.446%0.46425%0.248SC..BIsolated β-bridgetrans70.1-126.3-177.700000111.3S410 G411G408-S410 VanDerWaalsContact C-N 3.26Å; G408-S410 PolarHBondContact O-N 3.27Å; G408-G411 PolarHBondContact N-O 2.96Å; G408-G411 VanDerWaalsContact N-O 3.11Å; G408-G411 PolarHBondContact O-N 3.29Å; G408-G411 VanDerWaalsContact O-N 3.08Å
409A97.4Very high96.9Very high21 Ų2141.8 Ų41.817%0.17424%0.244CC..THydrogen-bonded Turntrans-69.1-21.2-177.500000114.1Q190 L211 E361 V407 G411Q190-A409 WeakPolarHBondContact CG-O 3.47Å; Q190-A409 PolarHBondContact NE2-O 3.13Å; Q190-A409 VanDerWaalsContact NE2-O 3.12Å; L211-A409 WeakPolarHBondContact CD1-O 3.48Å; E361-A409 HydrophobicContact CB-CB 3.88Å; E361-A409 HydrophobicContact CG-CB 3.92Å; E361-A409 WeakPolarHBondContact OE2-CB 3.45Å; V407-A409 PolarHBondContact O-N 2.91Å; A409-G411 PolarHBondContact O-N 2.99Å
410S98.3Very high97.2Very high0 Ų037.3 Ų37.30%022%0.221CC..THydrogen-bonded Turntrans-78.5-5.8171.654.20000113.7L211 G212 K362 P363 V407 G408L211-S410 CarbonylContact C-O 3.23Å; L211-S410 WeakPolarHBondContact CA-O 3.36Å; L211-S410 WeakPolarHBondContact CB-O 3.36Å; L211-S410 PolarHBondContact N-O 2.7Å; G212-S410 WeakPolarHBondContact O-CA 3.44Å; K362-S410 VanDerWaalsContact O-CB 3.23Å; K362-S410 WeakPolarHBondContact O-CB 3.44Å; K362-S410 PolarHBondContact O-OG 2.79Å; P363-S410 PolarHBondContact O-OG 2.95Å; V407-S410 PolarHBondContact N-OG 2.99Å; V407-S410 PolarHBondContact O-OG 3.31Å; G408-S410 VanDerWaalsContact C-N 3.26Å; G408-S410 PolarHBondContact O-N 3.27Å
411G98.5Very high97.6Very high0 Ų036.1 Ų36.10%021%0.214CC..EExtended strand (participates in β ladder)trans130.8-173.3174.700000114.6L209 G406 V407 G408 A409L209-G411 CarbonylContact O-C 3.34Å; L209-G411 WeakPolarHBondContact O-CA 3.19Å; G406-G411 CarbonylContact C-O 3.46Å; G406-G411 VanDerWaalsContact C-O 3.29Å; V407-G411 CarbonylContact C-O 3.59Å; V407-G411 VanDerWaalsContact C-O 3.28Å; V407-G411 WeakPolarHBondContact CA-O 3.15Å; V407-G411 PolarHBondContact N-O 2.95Å; G408-G411 PolarHBondContact N-O 2.96Å; G408-G411 VanDerWaalsContact N-O 3.11Å; G408-G411 PolarHBondContact O-N 3.29Å; G408-G411 VanDerWaalsContact O-N 3.08Å; A409-G411 PolarHBondContact O-N 2.99Å
412W98.3Very high97.9Very high116 Ų11635.4 Ų35.444%0.43920%0.198SC..EExtended strand (participates in β ladder)trans-157.9157.1170.164.281.1000111.6V197 V207 L209V197-W412 HydrophobicContact CG2-CH2 3.64Å; V197-W412 HydrophobicContact CG2-CZ2 3.72Å; V207-W412 HydrophobicContact CG2-CZ2 3.56Å; V207-W412 PolarHBondContact O-NE1 3.4Å; V207-W412 VanDerWaalsContact O-NE1 3.07Å; L209-W412 HydrophobicContact CD1-CD2 4.08Å; L209-W412 HydrophobicContact CD1-CE3 3.91Å; L209-W412 HydrophobicContact CD1-CH2 3.16Å; L209-W412 HydrophobicContact CD1-CZ2 3.28Å; L209-W412 HydrophobicContact CD1-CZ3 3.47Å; L209-W412 VanDerWaalsContact CD1-CZ3 3.47Å; L209-W412 HydrophobicContact CG-CD2 4.36Å; L209-W412 HydrophobicContact CG-CH2 4.26Å; L209-W412 HydrophobicContact CG-CZ2 3.93Å; L209-W412 PolarHBondContact N-O 3.08Å; L209-W412 PolarHBondContact O-N 2.99Å; L209-W412 VanDerWaalsContact O-N 3.07Å
413G98Very high98.1Very high38 Ų3832.9 Ų32.939%0.39219%0.186SC..  trans83.8175.3-16300000110.3
414S98.1Very high98.2Very high33 Ų3329.9 Ų29.923%0.23117%0.167CC..  trans-156.3162.1176.956.90000110.5F404 T423F404-S414 CarbonylContact O-C 3.56Å; F404-S414 WeakPolarHBondContact O-CA 3.22Å; F404-S414 VanDerWaalsContact O-CB 3.3Å; F404-S414 WeakPolarHBondContact O-CB 3.36Å; S414-T423 WeakPolarHBondContact O-CB 3.49Å; S414-T423 PolarHBondContact O-OG1 2.93Å
415Y98.4Very high98.2Very high0 Ų029.5 Ų29.50%017%0.166CC..BIsolated β-bridgetrans-147.2-157.8178.476.5-60.5000111.1L123 P124 F185 E210 F404L123-Y415 HydrophobicContact CB-CD2 4.39Å; L123-Y415 HydrophobicContact CB-CE2 3.71Å; L123-Y415 HydrophobicContact CD1-CE2 4.45Å; P124-Y415 HydrophobicContact CB-CD2 4.36Å; F185-Y415 AromaticContact CE2-CD1 3.91Å; F185-Y415 HydrophobicContact CE2-CD1 3.91Å; F185-Y415 HydrophobicContact CE2-CD2 4.21Å; F185-Y415 HydrophobicContact CE2-CE1 4.49Å; F185-Y415 AromaticContact CE2-CG 3.77Å; F185-Y415 HydrophobicContact CE2-CG 3.77Å; F185-Y415 AromaticContact CZ-CD1 3.62Å; F185-Y415 HydrophobicContact CZ-CD1 3.62Å; F185-Y415 AromaticContact CZ-CD2 3.92Å; F185-Y415 HydrophobicContact CZ-CD2 3.92Å; F185-Y415 AromaticContact CZ-CE1 3.75Å; F185-Y415 HydrophobicContact CZ-CE1 3.75Å; F185-Y415 HydrophobicContact CZ-CE2 4.07Å; F185-Y415 AromaticContact CZ-CG 3.74Å; F185-Y415 HydrophobicContact CZ-CG 3.74Å; E210-Y415 HydrophobicContact CG-CD1 4.19Å; E210-Y415 HydrophobicContact CG-CE1 3.79Å; E210-Y415 WeakPolarHBondContact OE1-CD1 3.38Å; F404-Y415 HydrophobicContact CD1-CD1 4.19Å; F404-Y415 AromaticContact CD1-CE1 3.33Å; F404-Y415 HydrophobicContact CD1-CE1 3.33Å; F404-Y415 AromaticContact CD1-CZ 3.81Å; F404-Y415 AromaticContact CE1-CE1 3.9Å; F404-Y415 HydrophobicContact CE1-CE1 3.9Å; F404-Y415 HydrophobicContact CG-CE1 4.37Å; F404-Y415 PolarHBondContact N-O 3.29Å; F404-Y415 VanDerWaalsContact N-O 3.09Å; F404-Y415 WeakPolarHBondContact O-CD1 3.4Å; F404-Y415 PolarHBondContact O-N 3.42Å
416H96.7Very high98.2Very high6 Ų633.9 Ų33.93%0.02819%0.185CC..SBendtrans77.1143.5-162.1-59.6-177.8000113.7M397 F404 R418 W419 G420M397-H416 PolarHBondContact O-CE1 2.95Å; M397-H416 PolarHBondContact O-ND1 3.26Å; F404-H416 VanDerWaalsContact CB-CE1 3.49Å; F404-H416 WeakPolarHBondContact CB-CE1 3.38Å; F404-H416 AromaticContact CD1-CE1 3.69Å; F404-H416 AromaticContact CD1-NE2 3.58Å; F404-H416 AromaticContact CG-CE1 3.74Å; H416-R418 PolarHBondContact O-N 3.46Å; H416-W419 WeakPolarHBondContact O-CA 3.48Å; H416-W419 WeakPolarHBondContact O-CB 3.5Å; H416-W419 PolarHBondContact O-N 2.97Å; H416-G420 PolarHBondContact O-N 2.9Å
417G97.1Very high98.2Very high4 Ų441.6 Ų41.64%0.04121%0.21CC..Hα-helixtrans41.2-125.7176.500000114.2D70 W419 G420 F421D70-G417 WeakPolarHBondContact OD1-CA 3.49Å; D70-G417 PolarHBondContact OD1-N 2.9Å; G417-W419 VanDerWaalsContact C-N 3.27Å; G417-W419 PolarHBondContact O-N 2.87Å; G417-G420 PolarHBondContact O-N 2.9Å; G417-F421 PolarHBondContact O-N 3.41Å
418R97.9Very high98.2Very high112 Ų11245 Ų4542%0.42322%0.218SC..Hα-helixtrans-62-33.6178.8-177.9174.4178.2171.7-0.7112.6W81 H416 F421 E422W81-R418 HydrophobicContact CZ2-CB 4.04Å; H416-R418 PolarHBondContact O-N 3.46Å; R418-F421 WeakPolarHBondContact O-CB 3.28Å; R418-F421 PolarHBondContact O-N 3.3Å; R418-E422 HydrophobicContact CG-CG 4.26Å; R418-E422 IonicContact NE-OE1 2.77Å; R418-E422 IonicContact NH2-OE1 2.68Å; R418-E422 WeakPolarHBondContact O-CG 3.25Å; R418-E422 PolarHBondContact O-N 3.34Å
419W98.4Very high98.2Very high107 Ų10747.1 Ų47.141%0.40523%0.231SC..Hα-helixtrans-68.6-36.9-178.2-51.4105.6000111.4G401 P403 H416 G417 E422 T423G401-W419 PolarHBondContact O-NE1 3.43Å; P403-W419 VanDerWaalsContact CA-CD1 3.47Å; P403-W419 HydrophobicContact CB-CB 4.3Å; P403-W419 HydrophobicContact CB-CD2 3.82Å; P403-W419 HydrophobicContact CB-CE3 4.42Å; P403-W419 HydrophobicContact CB-CG 3.73Å; P403-W419 HydrophobicContact CG-CD2 4.38Å; P403-W419 HydrophobicContact CG-CZ2 4.38Å; H416-W419 WeakPolarHBondContact O-CA 3.48Å; H416-W419 WeakPolarHBondContact O-CB 3.5Å; H416-W419 PolarHBondContact O-N 2.97Å; G417-W419 VanDerWaalsContact C-N 3.27Å; G417-W419 PolarHBondContact O-N 2.87Å; W419-E422 PolarHBondContact O-N 3.48Å; W419-T423 WeakPolarHBondContact O-CB 3.25Å; W419-T423 PolarHBondContact O-N 3.19Å; W419-T423 PolarHBondContact O-OG1 3.28Å
420G98.4Very high98.2Very high2 Ų247.4 Ų47.42%0.02123%0.231CC..Hα-helixtrans-61.3-46.2170.100000112H416 G417 E422 T423 F424H416-G420 PolarHBondContact O-N 2.9Å; G417-G420 PolarHBondContact O-N 2.9Å; G420-E422 VanDerWaalsContact C-N 3.35Å; G420-E422 PolarHBondContact O-N 2.84Å; G420-T423 PolarHBondContact O-N 2.82Å; G420-F424 WeakPolarHBondContact O-CD2 3.45Å; G420-F424 PolarHBondContact O-N 2.77Å
421F98.8Very high98.1Very high0 Ų052.2 Ų52.20%026%0.255CS..Hα-helixtrans-56.8-46174166.5-93000112.4W81 I82 R102 A130 A131 G417 R418 F424 S425W81-F421 HydrophobicContact CB-CD1 3.8Å; W81-F421 HydrophobicContact CB-CD2 4.22Å; W81-F421 HydrophobicContact CB-CE1 3.69Å; W81-F421 HydrophobicContact CB-CE2 4.13Å; W81-F421 HydrophobicContact CB-CG 4.07Å; W81-F421 HydrophobicContact CB-CZ 3.87Å; W81-F421 HydrophobicContact CD2-CB 4.44Å; W81-F421 HydrophobicContact CD2-CG 4.43Å; W81-F421 HydrophobicContact CE3-CB 3.81Å; W81-F421 HydrophobicContact CE3-CD2 4.22Å; W81-F421 AromaticContact CE3-CG 3.99Å; W81-F421 HydrophobicContact CE3-CG 3.99Å; W81-F421 HydrophobicContact CG-CD1 4.38Å; W81-F421 HydrophobicContact CZ3-CB 4.19Å; W81-F421 VanDerWaalsContact O-CE1 3.23Å; W81-F421 WeakPolarHBondContact O-CE1 3.38Å; W81-F421 VanDerWaalsContact O-CZ 3.25Å; W81-F421 WeakPolarHBondContact O-CZ 3.21Å; I82-F421 HydrophobicContact CG2-CE2 3.92Å; I82-F421 HydrophobicContact CG2-CZ 4.16Å; R102-F421 HydrophobicContact CB-CE1 4.01Å; R102-F421 HydrophobicContact CB-CZ 3.75Å; R102-F421 HydrophobicContact CG-CE1 3.73Å; R102-F421 HydrophobicContact CG-CZ 4.01Å; A130-F421 HydrophobicContact CB-CD2 4.21Å; A131-F421 HydrophobicContact CB-CD2 4.06Å; A131-F421 HydrophobicContact CB-CE2 4.4Å; G417-F421 PolarHBondContact O-N 3.41Å; R418-F421 WeakPolarHBondContact O-CB 3.28Å; R418-F421 PolarHBondContact O-N 3.3Å; F421-F424 PolarHBondContact O-N 3.2Å; F421-S425 VanDerWaalsContact O-CB 3.31Å; F421-S425 WeakPolarHBondContact O-CB 3.33Å; F421-S425 PolarHBondContact O-N 2.72Å; F421-S425 PolarHBondContact O-OG 2.9Å
422E98.6Very high97.9Very high30 Ų3057 Ų5714%0.1428%0.28CS..Hα-helixtrans-67.5-38.8179.4-66.2-76.5-177.900111.7R102 R418 W419 G420 F424 S425R102-E422 IonicContact CZ-OE1 3.78Å; R102-E422 IonicContact NE-OE1 3.71Å; R102-E422 PolarHBondContact NE-OE1 3.19Å; R102-E422 VanDerWaalsContact NE-OE1 3.1Å; R102-E422 IonicContact NE-OE2 3.89Å; R102-E422 PolarHBondContact NE-OE2 2.79Å; R102-E422 IonicContact NH2-OE1 2.94Å; R102-E422 PolarHBondContact NH2-OE1 3.46Å; R102-E422 IonicContact NH2-OE2 3.98Å; R418-E422 HydrophobicContact CG-CG 4.26Å; R418-E422 IonicContact NE-OE1 2.77Å; R418-E422 IonicContact NH2-OE1 2.68Å; R418-E422 WeakPolarHBondContact O-CG 3.25Å; R418-E422 PolarHBondContact O-N 3.34Å; W419-E422 PolarHBondContact O-N 3.48Å; G420-E422 VanDerWaalsContact C-N 3.35Å; G420-E422 PolarHBondContact O-N 2.84Å; E422-F424 VanDerWaalsContact C-N 3.3Å; E422-F424 PolarHBondContact O-N 2.67Å; E422-S425 PolarHBondContact O-N 3.25Å; E422-S425 VanDerWaalsContact O-N 3.1Å; E422-S425 VanDerWaalsContact O-O 3.07Å
423T98.8Very high97.6Very high29 Ų2955.6 Ų55.618%0.17827%0.274CS..Hα-helixtrans-59.8-39.1177.2-83.70000112.7T208 S414 W419 G420 S425T208-T423 VanDerWaalsContact OG1-CG2 3.3Å; T208-T423 WeakPolarHBondContact OG1-CG2 3.3Å; S414-T423 WeakPolarHBondContact O-CB 3.49Å; S414-T423 PolarHBondContact O-OG1 2.93Å; W419-T423 WeakPolarHBondContact O-CB 3.25Å; W419-T423 PolarHBondContact O-N 3.19Å; W419-T423 PolarHBondContact O-OG1 3.28Å; G420-T423 PolarHBondContact O-N 2.82Å; T423-S425 VanDerWaalsContact C-N 3.3Å
424F98.9Very high97.1Very high0 Ų056.4 Ų56.40%028%0.282CS..THydrogen-bonded Turntrans-93.217.3178.1-60.7-66.7000113.4V108 P124 A128 A131 N133 H183 F185 G420 F421 E422V108-F424 HydrophobicContact CB-CD1 4.35Å; V108-F424 HydrophobicContact CB-CE1 4.41Å; V108-F424 HydrophobicContact CG1-CD1 3.98Å; V108-F424 HydrophobicContact CG2-CD1 4.46Å; V108-F424 HydrophobicContact CG2-CE1 4.43Å; P124-F424 HydrophobicContact CB-CE2 4.21Å; P124-F424 HydrophobicContact CB-CZ 4.05Å; P124-F424 WeakPolarHBondContact O-CE2 3.27Å; A128-F424 HydrophobicContact CB-CD1 4.46Å; A128-F424 HydrophobicContact CB-CD2 4.08Å; A128-F424 HydrophobicContact CB-CE2 4.32Å; A128-F424 HydrophobicContact CB-CG 4.15Å; A128-F424 VanDerWaalsContact N-CD2 3.31Å; A131-F424 HydrophobicContact CB-CB 3.78Å; A131-F424 WeakPolarHBondContact CB-O 3.17Å; N133-F424 WeakPolarHBondContact ND2-CB 3.44Å; N133-F424 PolarHBondContact ND2-O 2.88Å; H183-F424 HydrophobicContact CB-CD1 4.45Å; H183-F424 AromaticContact CD2-CD1 3.95Å; H183-F424 AromaticContact CD2-CE1 3.67Å; F185-F424 HydrophobicContact CB-CE1 4.06Å; F185-F424 HydrophobicContact CB-CZ 3.94Å; F185-F424 HydrophobicContact CD2-CE1 4.26Å; F185-F424 HydrophobicContact CD2-CE2 4.4Å; F185-F424 AromaticContact CD2-CZ 3.59Å; F185-F424 HydrophobicContact CD2-CZ 3.59Å; F185-F424 HydrophobicContact CE2-CZ 4.42Å; F185-F424 AromaticContact CG-CZ 3.99Å; F185-F424 HydrophobicContact CG-CZ 3.99Å; G420-F424 WeakPolarHBondContact O-CD2 3.45Å; G420-F424 PolarHBondContact O-N 2.77Å; F421-F424 PolarHBondContact O-N 3.2Å; E422-F424 VanDerWaalsContact C-N 3.3Å; E422-F424 PolarHBondContact O-N 2.67Å
425S98.9Very high96.6Very high10 Ų1066.7 Ų66.77%0.0732%0.316CS..EExtended strand (participates in β ladder)trans-123.2139.7178.1-63.50000112E103 A131 F421 E422 T423E103-S425 CarbonylContact O-C 3.55Å; E103-S425 WeakPolarHBondContact O-CA 3.38Å; A131-S425 WeakPolarHBondContact CB-OG 3.3Å; F421-S425 VanDerWaalsContact O-CB 3.31Å; F421-S425 WeakPolarHBondContact O-CB 3.33Å; F421-S425 PolarHBondContact O-N 2.72Å; F421-S425 PolarHBondContact O-OG 2.9Å; E422-S425 PolarHBondContact O-N 3.25Å; E422-S425 VanDerWaalsContact O-N 3.1Å; E422-S425 VanDerWaalsContact O-O 3.07Å; T423-S425 VanDerWaalsContact C-N 3.3Å
426H98.8Very high95.8Very high100 Ų10070.5 Ų70.546%0.46335%0.348SS..EExtended strand (participates in β ladder)trans-81.3126.7162.3-179.560.1000110.4R102 E103 L105 R428R102-H426 WeakPolarHBondContact CA-O 3.44Å; E103-H426 PolarHBondContact N-O 3.26Å; E103-H426 PolarHBondContact O-N 3.21Å; L105-H426 HydrophobicContact CD2-CB 3.91Å; H426-R428 PolarHBondContact O-N 3.07Å
427R98.3Very high95.1Very high173 Ų17374.9 Ų74.965%0.65337%0.371SS*.EExtended strand (participates in β ladder)trans-84.591.7172-70.7175.2-68.4174.1-2.1109.7V100V100-R427 HydrophobicContact CG1-CB 3.75Å; V100-R427 HydrophobicContact CG1-CG 4.14Å
428R98.2Very high94.6Very high119 Ų11978.8 Ų78.845%0.44939%0.388SS..EExtended strand (participates in β ladder)trans-82116.7179.1-174.3177.1178.1171.84.2110.7V100 R101 E103 H426V100-R428 WeakPolarHBondContact CA-O 3.48Å; R101-R428 HydrophobicContact CB-CB 4.5Å; R101-R428 PolarHBondContact N-O 3.2Å; R101-R428 PolarHBondContact O-N 2.98Å; E103-R428 VanDerWaalsContact CD-CD 3.46Å; E103-R428 WeakPolarHBondContact OE1-CD 3.38Å; E103-R428 IonicContact OE1-CZ 2.95Å; E103-R428 IonicContact OE1-NE 2.73Å; E103-R428 IonicContact OE1-NH1 3.79Å; E103-R428 PolarHBondContact OE1-NH1 3.28Å; E103-R428 WeakPolarHBondContact OE2-CD 3.44Å; E103-R428 IonicContact OE2-NH1 3.7Å; E103-R428 PolarHBondContact OE2-NH1 2.91Å; H426-R428 PolarHBondContact O-N 3.07Å
429A97.9Very high93.8Very high89 Ų8984.8 Ų84.874%0.73641%0.411SS*.EExtended strand (participates in β ladder)trans-72.9124.817100000110.4
430C97.6Very high93Very high27 Ų2784.9 Ų84.918%0.18242%0.419CS..EExtended strand (participates in β ladder)trans-121.1134.6-179.8-64.70000110C98 F99C98-C430 WeakPolarHBondContact CA-O 3.48Å; F99-C430 HydrophobicContact CD1-CB 4.3Å; F99-C430 HydrophobicContact CD2-CB 3.79Å; F99-C430 HydrophobicContact CE1-CB 4.01Å; F99-C430 HydrophobicContact CE2-CB 3.48Å; F99-C430 VanDerWaalsContact CE2-CB 3.48Å; F99-C430 HydrophobicContact CG-CB 4.2Å; F99-C430 HydrophobicContact CZ-CB 3.6Å; F99-C430 PolarHBondContact N-O 3.05Å; F99-C430 WeakPolarHBondContact O-CB 3.42Å; F99-C430 PolarHBondContact O-N 3.39Å
431M95.7Very high92.4Very high102 Ų10286 Ų8650%0.50242%0.424SS..EExtended strand (participates in β ladder)trans-131.2114.8168.9178.5-177.5-74.700107.8T93 D96 D97T93-M431 HydrophobicContact CG2-CE 3.62Å; D96-M431 HydrophobicContact CB-CG 4Å; D97-M431 CarbonylContact O-C 3.52Å; D97-M431 VanDerWaalsContact O-CA 3.31Å; D97-M431 WeakPolarHBondContact O-CA 3.38Å
432L94.7Very high91.7Very high99 Ų9987.1 Ų87.152%0.51844%0.436SS..EExtended strand (participates in β ladder)trans-101.9117.3173.4-46.4180000108.2D97 F99D97-L432 HydrophobicContact CB-CB 4.15Å; D97-L432 PolarHBondContact N-O 3.13Å; D97-L432 PolarHBondContact O-N 3.03Å; F99-L432 HydrophobicContact CE1-CD1 3.82Å; F99-L432 HydrophobicContact CE1-CG 3.95Å; F99-L432 HydrophobicContact CZ-CD1 4.14Å; F99-L432 HydrophobicContact CZ-CG 4.38Å
433R90.9Very high91.1Very high88 Ų8888.3 Ų88.333%0.33244%0.443SS..  trans-115.2130.9-179.2175.1169.2-70-163.51.8109.7A92 D96 N441A92-R433 PolarHBondContact O-NH2 3.08Å; D96-R433 WeakPolarHBondContact OD1-CB 3.38Å; D96-R433 VanDerWaalsContact OD1-CG 3.25Å; D96-R433 WeakPolarHBondContact OD1-CG 3.21Å; D96-R433 IonicContact OD1-CZ 2.88Å; D96-R433 IonicContact OD1-NE 3.75Å; D96-R433 PolarHBondContact OD1-NE 3.34Å; D96-R433 IonicContact OD1-NH2 3.73Å; D96-R433 IonicContact OD2-CZ 3.42Å; D96-R433 IonicContact OD2-NE 2.72Å; D96-R433 PolarHBondContact OD2-NE 2.97Å; D96-R433 IonicContact OD2-NH2 3.43Å; D96-R433 PolarHBondContact OD2-NH2 3.47Å; R433-N441 PolarHBondContact NH1-OD1 2.97Å
434G87.4Confident90.6Very high54 Ų5492.4 Ų92.456%0.55746%0.455SS*.  trans-78.4166.3172.400000112.9A436G434-A436 VanDerWaalsContact C-N 3.25Å; G434-A436 PolarHBondContact O-N 3.21Å
435W87.5Confident90.4Very high249 Ų24996.3 Ų96.394%0.94347%0.47SS*.SBendtrans-79.4-4175.8-63.396.1000114.1
436A82Confident90.2Very high80 Ų8099.9 Ų99.966%0.66149%0.493SS*.THydrogen-bonded Turntrans-69.6152.1-179.700000111.4G434 E438G434-A436 VanDerWaalsContact C-N 3.25Å; G434-A436 PolarHBondContact O-N 3.21Å; A436-E438 VanDerWaalsContact C-N 3.3Å; A436-E438 PolarHBondContact O-N 3.49Å
437L81.5Confident89.9Confident99 Ų99100.2 Ų100.252%0.51850%0.504SS..THydrogen-bonded Turntrans61.329.1174.2-54.1170.1000115.2L95 R439 L440L95-L437 HydrophobicContact CD1-CD1 3.35Å; L437-R439 PolarHBondContact O-N 3.46Å; L437-L440 HydrophobicContact CB-CD1 3.79Å; L437-L440 HydrophobicContact CB-CG 4.11Å; L437-L440 HydrophobicContact CD1-CD1 4Å; L437-L440 HydrophobicContact CD2-CD1 4.43Å; L437-L440 HydrophobicContact CG-CD1 4.3Å; L437-L440 WeakPolarHBondContact O-CB 3.12Å; L437-L440 PolarHBondContact O-N 3.5Å
438E87Confident89.7Confident85 Ų85100.5 Ų100.540%0.39751%0.507SS..Hα-helixtrans-53.6-29.4179-17657.3-161.600113.8A436 L440 N441 Y445A436-E438 VanDerWaalsContact C-N 3.3Å; A436-E438 PolarHBondContact O-N 3.49Å; E438-L440 PolarHBondContact O-N 3.36Å; E438-N441 WeakPolarHBondContact O-CB 3.32Å; E438-N441 PolarHBondContact O-N 3.04Å; E438-N441 PolarHBondContact OE2-ND2 3.23Å; E438-Y445 WeakPolarHBondContact OE1-CE2 3.47Å; E438-Y445 VanDerWaalsContact OE1-CZ 3.27Å; E438-Y445 PolarHBondContact OE1-OH 3.15Å
439R82.4Confident89.6Confident239 Ų23997.5 Ų97.590%0.90250%0.504SS*.Hα-helixtrans-58-33.1173.8-69.8-174.6177.5-175.2-0.4113L437 N441 G442L437-R439 PolarHBondContact O-N 3.46Å; R439-N441 VanDerWaalsContact C-N 3.26Å; R439-N441 PolarHBondContact O-N 3.34Å; R439-G442 PolarHBondContact O-N 3.04Å; R439-G442 VanDerWaalsContact O-N 3.1Å
440L81.3Confident89.4Confident109 Ų10999.1 Ų99.157%0.57150%0.501SS*.Hα-helixtrans-67.1-29.2176.3-61.1-178.5000111.8L437 E438 G442 L443L437-L440 HydrophobicContact CB-CD1 3.79Å; L437-L440 HydrophobicContact CB-CG 4.11Å; L437-L440 HydrophobicContact CD1-CD1 4Å; L437-L440 HydrophobicContact CD2-CD1 4.43Å; L437-L440 HydrophobicContact CG-CD1 4.3Å; L437-L440 WeakPolarHBondContact O-CB 3.12Å; L437-L440 PolarHBondContact O-N 3.5Å; E438-L440 PolarHBondContact O-N 3.36Å; L440-G442 PolarHBondContact O-N 2.86Å; L440-L443 PolarHBondContact O-N 2.91Å
441N84.6Confident89.1Confident24 Ų24102.5 Ų102.513%0.12852%0.517CS..Hα-helixtrans-68.3-14.9173.9-66.7-42.5000112.5R433 E438 R439 L443 R444 Y445R433-N441 PolarHBondContact NH1-OD1 2.97Å; E438-N441 WeakPolarHBondContact O-CB 3.32Å; E438-N441 PolarHBondContact O-N 3.04Å; E438-N441 PolarHBondContact OE2-ND2 3.23Å; R439-N441 VanDerWaalsContact C-N 3.26Å; R439-N441 PolarHBondContact O-N 3.34Å; N441-L443 PolarHBondContact O-N 3.37Å; N441-R444 HydrophobicContact CB-CG 4.5Å; N441-R444 WeakPolarHBondContact O-CG 3.4Å; N441-R444 PolarHBondContact O-N 3.1Å; N441-Y445 HydrophobicContact CB-CD2 4.3Å; N441-Y445 HydrophobicContact CB-CE1 4.29Å; N441-Y445 HydrophobicContact CB-CE2 3.48Å; N441-Y445 VanDerWaalsContact CB-CE2 3.48Å; N441-Y445 VanDerWaalsContact CB-CZ 3.48Å; N441-Y445 WeakPolarHBondContact CB-OH 2.97Å; N441-Y445 WeakPolarHBondContact O-CD2 3.49Å; N441-Y445 PolarHBondContact O-N 3.4Å
442G85.5Confident88.9Confident24 Ų2499.9 Ų99.925%0.24750%0.503CS..THydrogen-bonded Turntrans-56.5-22.7173.400000114.3R439 L440 R444 Y445 K452R439-G442 PolarHBondContact O-N 3.04Å; R439-G442 VanDerWaalsContact O-N 3.1Å; L440-G442 PolarHBondContact O-N 2.86Å; G442-R444 VanDerWaalsContact C-N 3.34Å; G442-Y445 PolarHBondContact O-N 3.46Å; G442-K452 VanDerWaalsContact O-CE 3.3Å; G442-K452 WeakPolarHBondContact O-CE 3.44Å; G442-K452 PolarHBondContact O-NZ 3.34Å; G442-K452 VanDerWaalsContact O-NZ 3.12Å
443L85.6Confident88.7Confident55 Ų5598.7 Ų98.729%0.28850%0.496SS..THydrogen-bonded Turntrans-65.5-32.5174.2-68.3174.7000113.2L440 N441 K452 W455L440-L443 PolarHBondContact O-N 2.91Å; N441-L443 PolarHBondContact O-N 3.37Å; L443-K452 HydrophobicContact CD2-CG 4.35Å; L443-W455 HydrophobicContact CD1-CB 4.05Å; L443-W455 HydrophobicContact CD2-CB 3.86Å; L443-W455 HydrophobicContact CD2-CG 4.3Å
444R88.9Confident88.7Confident115 Ų115100.7 Ų100.743%0.43451%0.507SS..THydrogen-bonded Turntrans-94.2-11.8176.562.6168.2-172.7-176.33.1113.3N441 G442 L456N441-R444 HydrophobicContact CB-CG 4.5Å; N441-R444 WeakPolarHBondContact O-CG 3.4Å; N441-R444 PolarHBondContact O-N 3.1Å; G442-R444 VanDerWaalsContact C-N 3.34Å; R444-L456 HydrophobicContact CB-CD1 4.38Å
445Y93.4Very high88.6Confident82 Ų82105.1 Ų105.132%0.32251%0.507SS..SBendtrans-87.8145.9-178.6-60-30.7000112.7E438 N441 G442 K452E438-Y445 WeakPolarHBondContact OE1-CE2 3.47Å; E438-Y445 VanDerWaalsContact OE1-CZ 3.27Å; E438-Y445 PolarHBondContact OE1-OH 3.15Å; N441-Y445 HydrophobicContact CB-CD2 4.3Å; N441-Y445 HydrophobicContact CB-CE1 4.29Å; N441-Y445 HydrophobicContact CB-CE2 3.48Å; N441-Y445 VanDerWaalsContact CB-CE2 3.48Å; N441-Y445 VanDerWaalsContact CB-CZ 3.48Å; N441-Y445 WeakPolarHBondContact CB-OH 2.97Å; N441-Y445 WeakPolarHBondContact O-CD2 3.49Å; N441-Y445 PolarHBondContact O-N 3.4Å; G442-Y445 PolarHBondContact O-N 3.46Å; Y445-K452 PolarHBondContact O-NZ 3.47Å
446P94.3Very high88.6Confident85 Ų8596 Ų9655%0.55248%0.477SS*.SBendtrans-55.9155.2167.9-23.632.7000113.2Y448P446-Y448 HydrophobicContact CB-CE1 4.5Å; P446-Y448 HydrophobicContact CG-CE1 3.95Å; P446-Y448 HydrophobicContact CG-CE2 4.28Å
447P93.7Very high88.8Confident108 Ų108100.2 Ų100.270%0.70148%0.476SS*.SBendcis-73145.8-5.430.5-34.6000111.5K452P447-K452 WeakPolarHBondContact O-CD 3.46Å; P447-K452 WeakPolarHBondContact O-CE 3.4Å; P447-K452 PolarHBondContact O-NZ 3.13Å
448Y94.1Very high88.9Confident178 Ų178101.6 Ų101.670%0.69847%0.474SS*.PPolyproline II helixtrans-80.8148.1-179.1-54.2-52.9000111.5P446P446-Y448 HydrophobicContact CB-CE1 4.5Å; P446-Y448 HydrophobicContact CG-CE1 3.95Å; P446-Y448 HydrophobicContact CG-CE2 4.28Å
449S95.1Very high88.7Confident57 Ų5798.6 Ų98.640%0.39946%0.462SS..  trans-147.8158.1173.669.30000110.7D451 K452 L453S449-D451 PolarHBondContact O-N 3.48Å; S449-K452 PolarHBondContact O-N 2.94Å; S449-K452 PolarHBondContact OG-N 2.82Å; S449-L453 PolarHBondContact O-N 3.3Å
450D94.8Very high88.7Confident123 Ų12390.5 Ų90.566%0.65844%0.439SS*.Hα-helixtrans-59.7-33178.3-72.4-25.5000112.5L453 K454D450-L453 PolarHBondContact O-N 2.94Å; D450-K454 WeakPolarHBondContact O-CG 3.48Å; D450-K454 PolarHBondContact O-N 3.47Å
451D90.9Very high88.7Confident98 Ų9887.5 Ų87.552%0.52443%0.427SS..Hα-helixtrans-71.4-40.6177.6-66.3-28.3000112.1S449 L453 K454 W455S449-D451 PolarHBondContact O-N 3.48Å; D451-L453 VanDerWaalsContact C-N 3.27Å; D451-L453 PolarHBondContact O-N 2.88Å; D451-K454 PolarHBondContact O-N 3.34Å; D451-K454 IonicContact OD1-NZ 3.89Å; D451-K454 PolarHBondContact OD1-NZ 3.11Å; D451-W455 VanDerWaalsContact O-CD1 3.22Å; D451-W455 PolarHBondContact O-N 2.91Å; D451-W455 VanDerWaalsContact O-N 3.17Å
452K91.6Very high87.7Confident47 Ų4791.1 Ų91.120%0.20446%0.46CS..Hα-helixtrans-59.2-41.7170.5-76.4-176.2176.8-173.90110.9G442 L443 Y445 P447 S449 W455 L456G442-K452 VanDerWaalsContact O-CE 3.3Å; G442-K452 WeakPolarHBondContact O-CE 3.44Å; G442-K452 PolarHBondContact O-NZ 3.34Å; G442-K452 VanDerWaalsContact O-NZ 3.12Å; L443-K452 HydrophobicContact CD2-CG 4.35Å; Y445-K452 PolarHBondContact O-NZ 3.47Å; P447-K452 WeakPolarHBondContact O-CD 3.46Å; P447-K452 WeakPolarHBondContact O-CE 3.4Å; P447-K452 PolarHBondContact O-NZ 3.13Å; S449-K452 PolarHBondContact O-N 2.94Å; S449-K452 PolarHBondContact OG-N 2.82Å; K452-W455 PolarHBondContact O-N 3.31Å; K452-L456 WeakPolarHBondContact O-CB 3.06Å; K452-L456 PolarHBondContact O-N 3.45Å
453L90.6Very high86.7Confident74 Ų7494.8 Ų94.839%0.38747%0.471SS..Hα-helixtrans-64.7-41.3178.7-178.460.4000112.5S449 D450 D451 L456 R457S449-L453 PolarHBondContact O-N 3.3Å; D450-L453 PolarHBondContact O-N 2.94Å; D451-L453 VanDerWaalsContact C-N 3.27Å; D451-L453 PolarHBondContact O-N 2.88Å; L453-L456 PolarHBondContact O-N 3.46Å; L453-R457 HydrophobicContact CD1-CG 4.35Å; L453-R457 WeakPolarHBondContact O-CB 3.27Å; L453-R457 WeakPolarHBondContact O-CG 3.43Å; L453-R457 PolarHBondContact O-N 3.4Å
454K90.3Very high85Confident130 Ų13097.5 Ų97.557%0.56549%0.494SS*.Hα-helixtrans-58.9-48.6174.9-73.5168.8-166.51590111.5D450 D451 R457 W458D450-K454 WeakPolarHBondContact O-CG 3.48Å; D450-K454 PolarHBondContact O-N 3.47Å; D451-K454 PolarHBondContact O-N 3.34Å; D451-K454 IonicContact OD1-NZ 3.89Å; D451-K454 PolarHBondContact OD1-NZ 3.11Å; K454-R457 PolarHBondContact O-N 3.09Å; K454-W458 PolarHBondContact O-N 2.81Å; K454-W458 VanDerWaalsContact O-N 3.08Å
455W85.9Confident82.9Confident146 Ų14698.4 Ų98.455%0.55351%0.513SS*.Hα-helixtrans-63.6-42.9177.7-80.1111.9000112.4L443 D451 K452 W458 T459L443-W455 HydrophobicContact CD1-CB 4.05Å; L443-W455 HydrophobicContact CD2-CB 3.86Å; L443-W455 HydrophobicContact CD2-CG 4.3Å; D451-W455 VanDerWaalsContact O-CD1 3.22Å; D451-W455 PolarHBondContact O-N 2.91Å; D451-W455 VanDerWaalsContact O-N 3.17Å; K452-W455 PolarHBondContact O-N 3.31Å; W455-W458 AromaticContact CE3-CE3 3.91Å; W455-W458 HydrophobicContact CE3-CE3 3.91Å; W455-W458 HydrophobicContact CE3-CZ3 4.38Å; W455-W458 AromaticContact CZ3-CE3 3.9Å; W455-W458 HydrophobicContact CZ3-CE3 3.9Å; W455-W458 HydrophobicContact CZ3-CZ3 4.04Å; W455-W458 PolarHBondContact O-N 2.83Å; W455-T459 WeakPolarHBondContact O-CG2 3.19Å; W455-T459 PolarHBondContact O-N 2.81Å; W455-T459 PolarHBondContact O-OG1 3.03Å
456L86.5Confident80.3Confident59 Ų5999.7 Ų99.731%0.30953%0.532SS..Hα-helixtrans-61-48.3177.1-168.367.9000110.6R444 K452 L453 W458 T459 T460R444-L456 HydrophobicContact CB-CD1 4.38Å; K452-L456 WeakPolarHBondContact O-CB 3.06Å; K452-L456 PolarHBondContact O-N 3.45Å; L453-L456 PolarHBondContact O-N 3.46Å; L456-W458 VanDerWaalsContact C-N 3.3Å; L456-W458 PolarHBondContact O-N 2.77Å; L456-T459 PolarHBondContact O-N 3.39Å; L456-T459 PolarHBondContact O-OG1 2.95Å; L456-T460 HydrophobicContact CD1-CG2 4.05Å; L456-T460 HydrophobicContact CG-CG2 4.17Å; L456-T460 WeakPolarHBondContact O-CB 3.29Å; L456-T460 WeakPolarHBondContact O-CG2 2.81Å; L456-T460 PolarHBondContact O-N 2.85Å; L456-T460 PolarHBondContact O-OG1 3.25Å
457R86.1Confident77.5Confident167 Ų167100.8 Ų100.863%0.6354%0.542SS*.Hα-helixtrans-54.8-44.3176.4-78.3178.3176.2177.30.5112.5L453 K454 S461L453-R457 HydrophobicContact CD1-CG 4.35Å; L453-R457 WeakPolarHBondContact O-CB 3.27Å; L453-R457 WeakPolarHBondContact O-CG 3.43Å; L453-R457 PolarHBondContact O-N 3.4Å; K454-R457 PolarHBondContact O-N 3.09Å; R457-S461 WeakPolarHBondContact O-CB 3.4Å; R457-S461 PolarHBondContact O-N 2.88Å; R457-S461 PolarHBondContact O-OG 3.5Å
458W84.6Confident74.7Confident128 Ų128103.5 Ų103.549%0.48555%0.55SS.*Hα-helixtrans-61.2-51.9177.5-179.870.5000111.4L91 K454 W455 L456 T460 S461 H463L91-W458 HydrophobicContact CD2-CE3 4.14Å; L91-W458 HydrophobicContact CD2-CH2 3.5Å; L91-W458 VanDerWaalsContact CD2-CH2 3.5Å; L91-W458 HydrophobicContact CD2-CZ2 4.19Å; L91-W458 HydrophobicContact CD2-CZ3 3.47Å; L91-W458 VanDerWaalsContact CD2-CZ3 3.47Å; K454-W458 PolarHBondContact O-N 2.81Å; K454-W458 VanDerWaalsContact O-N 3.08Å; W455-W458 AromaticContact CE3-CE3 3.91Å; W455-W458 HydrophobicContact CE3-CE3 3.91Å; W455-W458 HydrophobicContact CE3-CZ3 4.38Å; W455-W458 AromaticContact CZ3-CE3 3.9Å; W455-W458 HydrophobicContact CZ3-CE3 3.9Å; W455-W458 HydrophobicContact CZ3-CZ3 4.04Å; W455-W458 PolarHBondContact O-N 2.83Å; L456-W458 VanDerWaalsContact C-N 3.3Å; L456-W458 PolarHBondContact O-N 2.77Å; W458-T460 PolarHBondContact O-N 2.87Å; W458-S461 PolarHBondContact O-N 3.49Å; W458-S461 PolarHBondContact O-OG 3.32Å; W458-H463 AromaticContact CD1-CE1 3.83Å; W458-H463 AromaticContact CD1-NE2 3.52Å; W458-H463 AromaticContact CE2-NE2 3.77Å; W458-H463 AromaticContact NE1-CE1 3.89Å; W458-H463 AromaticContact NE1-NE2 3.13Å; W458-H463 PolarHBondContact NE1-NE2 3.07Å; W458-H463 VanDerWaalsContact NE1-NE2 3.13Å; W458-H463 PolarHBondContact O-CE1 3.25Å
459T83Confident71.8Confident22 Ų22107.4 Ų107.414%0.13558%0.578CS.*Hα-helixtrans-68.6-28-177.656.60000115.2L91 A92 W455 L456L91-T459 HydrophobicContact CD2-CG2 4.17Å; A92-T459 PolarHBondContact N-O 3.39Å; W455-T459 WeakPolarHBondContact O-CG2 3.19Å; W455-T459 PolarHBondContact O-N 2.81Å; W455-T459 PolarHBondContact O-OG1 3.03Å; L456-T459 PolarHBondContact O-N 3.39Å; L456-T459 PolarHBondContact O-OG1 2.95Å
460T82.3Confident70.6Confident69 Ų69110 Ų11042%0.42359%0.587SS.*Hα-helixtrans-92.6-16.6179.660.50000113.4A92 L456 W458A92-T460 HydrophobicContact CB-CG2 4.25Å; L456-T460 HydrophobicContact CD1-CG2 4.05Å; L456-T460 HydrophobicContact CG-CG2 4.17Å; L456-T460 WeakPolarHBondContact O-CB 3.29Å; L456-T460 WeakPolarHBondContact O-CG2 2.81Å; L456-T460 PolarHBondContact O-N 2.85Å; L456-T460 PolarHBondContact O-OG1 3.25Å; W458-T460 PolarHBondContact O-N 2.87Å
461S80.2Confident69.3Low47 Ų47109.3 Ų109.333%0.32958%0.583SS.*SBendtrans-65.5143.9179.264.80000111.3R457 W458 H463R457-S461 WeakPolarHBondContact O-CB 3.4Å; R457-S461 PolarHBondContact O-N 2.88Å; R457-S461 PolarHBondContact O-OG 3.5Å; W458-S461 PolarHBondContact O-N 3.49Å; W458-S461 PolarHBondContact O-OG 3.32Å; S461-H463 VanDerWaalsContact C-N 3.28Å; S461-H463 PolarHBondContact O-N 2.99Å; S461-H463 PolarHBondContact OG-CE1 2.76Å; S461-H463 PolarHBondContact OG-ND1 3.4Å
462A65.3Low68.1Low100 Ų100109.9 Ų109.983%0.82659%0.586SS**  trans-69.189.317300000108.4S464A462-S464 PolarHBondContact O-N 3.09Å; A462-S464 VanDerWaalsContact O-N 3.1Å
463H63.5Low66.7Low101 Ų101113.6 Ų113.647%0.46861%0.609SS.*  trans-71.1104.9164.5-70.48.8000106.1W458 S461 T465W458-H463 AromaticContact CD1-CE1 3.83Å; W458-H463 AromaticContact CD1-NE2 3.52Å; W458-H463 AromaticContact CE2-NE2 3.77Å; W458-H463 AromaticContact NE1-CE1 3.89Å; W458-H463 AromaticContact NE1-NE2 3.13Å; W458-H463 PolarHBondContact NE1-NE2 3.07Å; W458-H463 VanDerWaalsContact NE1-NE2 3.13Å; W458-H463 PolarHBondContact O-CE1 3.25Å; S461-H463 VanDerWaalsContact C-N 3.28Å; S461-H463 PolarHBondContact O-N 2.99Å; S461-H463 PolarHBondContact OG-CE1 2.76Å; S461-H463 PolarHBondContact OG-ND1 3.4Å; H463-T465 VanDerWaalsContact C-N 3.34Å; H463-T465 PolarHBondContact O-N 3.45Å
464S50.3Low65.3Low111 Ų111116.1 Ų116.178%0.77662%0.623SS**  trans-52.4101.8168.845.30000107.9A462 C466A462-S464 PolarHBondContact O-N 3.09Å; A462-S464 VanDerWaalsContact O-N 3.1Å; S464-C466 PolarHBondContact O-N 3.24Å
465T45.7Very low63.6Low134 Ų134115.1 Ų115.182%0.82263%0.627SS**  trans-63.395.115542.20000104.8H463 S467H463-T465 VanDerWaalsContact C-N 3.34Å; H463-T465 PolarHBondContact O-N 3.45Å; T465-S467 VanDerWaalsContact C-N 3.26Å; T465-S467 PolarHBondContact O-N 3.26Å
466C36.9Very low62Low109 Ų109112.9 Ų112.974%0.73663%0.632SS**  trans-55.296.9167-162.10000106.3S464 L468S464-C466 PolarHBondContact O-N 3.24Å; C466-L468 PolarHBondContact O-N 3.27Å
467S35.6Very low60.1Low109 Ų109117.1 Ų117.176%0.76266%0.657SS**  trans-72.591164.147.10000106.1T465 M469T465-S467 VanDerWaalsContact C-N 3.26Å; T465-S467 PolarHBondContact O-N 3.26Å; S467-M469 VanDerWaalsContact C-N 3.33Å; S467-M469 PolarHBondContact O-N 3.29Å; S467-M469 VanDerWaalsContact O-N 3.13Å
468L36.3Very low58Low165 Ų165112.9 Ų112.986%0.86466%0.659SS**  trans-62.5101.7152.5-84.1157.3000106.7C466C466-L468 PolarHBondContact O-N 3.27Å
469M31.9Very low55.5Low260 Ų260111.5 Ų111.5100%1.28168%0.675SS**  trans-133.80148.1-86-165.3-160.700108S467S467-M469 VanDerWaalsContact C-N 3.33Å; S467-M469 PolarHBondContact O-N 3.29Å; S467-M469 VanDerWaalsContact O-N 3.13Å

Retrieved 469 of 469 residues in 151.5 ms (Link to these results)

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