A0A5K4F427_SCHMA Loading...

UBIQUITIN_CONJUGAT_2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F427, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 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
1M66.9Low80.8Confident74 Ų7471.8 Ų71.837%0.36533%0.326SS..  0-65.10-169.9-178.4-61.500112K3 V4 V5 L68 H70 I107M1-K3 PolarHBondContact O-N 2.83Å; M1-V4 PolarHBondContact O-N 3.09Å; M1-V5 HydrophobicContact CG-CG2 4.02Å; M1-V5 HydrophobicContact SD-CG2 4.27Å; M1-L68 HydrophobicContact CB-CB 4.37Å; M1-L68 HydrophobicContact CB-CD2 4.09Å; M1-L68 HydrophobicContact CG-CD2 3.89Å; M1-L68 HydrophobicContact SD-CD2 3.66Å; M1-H70 WeakPolarHBondContact CE-O 3.47Å; M1-I107 HydrophobicContact CE-CD1 3.65Å; M1-I107 HydrophobicContact CG-CD1 3.82Å; M1-I107 HydrophobicContact SD-CD1 3.52Å; M1-I107 VanDerWaalsContact SD-CD1 3.52Å
2Y76.1Confident81.3Confident119 Ų11966.6 Ų66.647%0.46730%0.303SS..THydrogen-bonded Turntrans4.3-74.1171.5-158.2-84.2000117.3V4 V5 W6 L68Y2-V4 PolarHBondContact O-N 3.37Å; Y2-V4 VanDerWaalsContact O-N 3.1Å; Y2-V5 PolarHBondContact O-N 2.71Å; Y2-V5 VanDerWaalsContact O-N 3.08Å; Y2-W6 AromaticContact CD1-CD1 3.43Å; Y2-W6 VanDerWaalsContact CD1-CD1 3.43Å; Y2-W6 HydrophobicContact CD1-CG 4.37Å; Y2-W6 AromaticContact CD1-NE1 3.98Å; Y2-W6 AromaticContact CE1-CD1 3.17Å; Y2-W6 HydrophobicContact CE1-CG 4.05Å; Y2-W6 AromaticContact CE1-NE1 3.32Å; Y2-W6 VanDerWaalsContact CE1-NE1 3.32Å; Y2-W6 AromaticContact CE2-NE1 3.59Å; Y2-W6 AromaticContact CG-CD1 3.95Å; Y2-W6 AromaticContact CZ-CD1 3.48Å; Y2-W6 VanDerWaalsContact CZ-CD1 3.48Å; Y2-W6 AromaticContact CZ-NE1 3.09Å; Y2-W6 PolarHBondContact O-N 2.94Å; Y2-W6 PolarHBondContact OH-NE1 3.12Å; Y2-L68 HydrophobicContact CD2-CD1 3.46Å; Y2-L68 VanDerWaalsContact CD2-CD1 3.46Å; Y2-L68 HydrophobicContact CE2-CD1 4.34Å; Y2-L68 HydrophobicContact CG-CD1 4.16Å
3K76Confident81.6Confident152 Ų15265.5 Ų65.566%0.66130%0.3SS*.Hα-helixtrans-52.3-33.6-176.2-66.8-170177.2-172.10114.8M1 R7 Y333M1-K3 PolarHBondContact O-N 2.83Å; K3-R7 WeakPolarHBondContact O-CB 3.45Å; K3-R7 PolarHBondContact O-N 3.45Å; K3-R7 VanDerWaalsContact O-N 3.12Å; K3-Y333 PolarHBondContact NZ-OH 2.92Å
4V80.4Confident81.4Confident63 Ų6363.4 Ų63.438%0.38230%0.296SS..Hα-helixtrans-74.2-43.1179.8-177.90000111.1M1 Y2 R7 Q8 I107M1-V4 PolarHBondContact O-N 3.09Å; Y2-V4 PolarHBondContact O-N 3.37Å; Y2-V4 VanDerWaalsContact O-N 3.1Å; V4-R7 PolarHBondContact O-N 2.89Å; V4-Q8 WeakPolarHBondContact O-CG 3.46Å; V4-Q8 PolarHBondContact O-N 3.46Å; V4-Q8 VanDerWaalsContact O-N 3.11Å; V4-I107 HydrophobicContact CG1-CG2 3.71Å
5V83.1Confident81.8Confident2 Ų262.6 Ų62.61%0.01230%0.297CS..Hα-helixtrans-66.8-44.1178.8179.50000110.1M1 Y2 R7 Q8 L9 I42 I66 L68 L111M1-V5 HydrophobicContact CG-CG2 4.02Å; M1-V5 HydrophobicContact SD-CG2 4.27Å; Y2-V5 PolarHBondContact O-N 2.71Å; Y2-V5 VanDerWaalsContact O-N 3.08Å; V5-R7 PolarHBondContact O-N 2.99Å; V5-Q8 PolarHBondContact O-N 2.95Å; V5-L9 WeakPolarHBondContact O-CB 3.31Å; V5-L9 PolarHBondContact O-N 3.19Å; V5-I42 HydrophobicContact CB-CD1 3.87Å; V5-I42 HydrophobicContact CG1-CD1 3.65Å; V5-I42 HydrophobicContact CG1-CG2 4.45Å; V5-I66 HydrophobicContact CG1-CB 4.4Å; V5-I66 HydrophobicContact CG1-CD1 3.54Å; V5-I66 HydrophobicContact CG1-CG2 4.13Å; V5-I66 HydrophobicContact CG2-CG2 4.2Å; V5-L68 HydrophobicContact CB-CD2 4.46Å; V5-L68 HydrophobicContact CG2-CD2 3.96Å; V5-L111 HydrophobicContact CG1-CD1 4.33Å
6W83.2Confident82.3Confident55 Ų5559.1 Ų59.121%0.20828%0.281CS..Hα-helixtrans-60.8-41.8174.7-89.398.7000113.1Y2 Q8 L9 S10 W29 D30 I42Y2-W6 AromaticContact CD1-CD1 3.43Å; Y2-W6 VanDerWaalsContact CD1-CD1 3.43Å; Y2-W6 HydrophobicContact CD1-CG 4.37Å; Y2-W6 AromaticContact CD1-NE1 3.98Å; Y2-W6 AromaticContact CE1-CD1 3.17Å; Y2-W6 HydrophobicContact CE1-CG 4.05Å; Y2-W6 AromaticContact CE1-NE1 3.32Å; Y2-W6 VanDerWaalsContact CE1-NE1 3.32Å; Y2-W6 AromaticContact CE2-NE1 3.59Å; Y2-W6 AromaticContact CG-CD1 3.95Å; Y2-W6 AromaticContact CZ-CD1 3.48Å; Y2-W6 VanDerWaalsContact CZ-CD1 3.48Å; Y2-W6 AromaticContact CZ-NE1 3.09Å; Y2-W6 PolarHBondContact O-N 2.94Å; Y2-W6 PolarHBondContact OH-NE1 3.12Å; W6-Q8 VanDerWaalsContact C-N 3.34Å; W6-Q8 PolarHBondContact O-N 3.24Å; W6-L9 HydrophobicContact CE3-CD2 4.26Å; W6-L9 HydrophobicContact CZ3-CD2 4.17Å; W6-L9 PolarHBondContact O-N 3.25Å; W6-S10 PolarHBondContact O-N 3.27Å; W6-S10 PolarHBondContact O-OG 3.09Å; W6-W29 AromaticContact CH2-CD1 3.85Å; W6-D30 WeakPolarHBondContact CH2-O 3.41Å; W6-I42 HydrophobicContact CG-CD1 4.26Å; W6-I42 VanDerWaalsContact NE1-CD1 3.32Å
7R81.4Confident82.7Confident153 Ų15360.9 Ų60.958%0.57729%0.289SS*.Hα-helixtrans-61-44.3175.2-160.9-173.170.8-145.3-5.5111.5K3 V4 V5 L9 S10 E11K3-R7 WeakPolarHBondContact O-CB 3.45Å; K3-R7 PolarHBondContact O-N 3.45Å; K3-R7 VanDerWaalsContact O-N 3.12Å; V4-R7 PolarHBondContact O-N 2.89Å; V5-R7 PolarHBondContact O-N 2.99Å; R7-L9 VanDerWaalsContact C-N 3.32Å; R7-L9 PolarHBondContact O-N 2.9Å; R7-S10 PolarHBondContact O-N 2.91Å; R7-E11 WeakPolarHBondContact CD-OE1 3.33Å; R7-E11 WeakPolarHBondContact CG-OE1 3.34Å; R7-E11 IonicContact CZ-OE1 2.61Å; R7-E11 IonicContact NE-OE1 3.29Å; R7-E11 PolarHBondContact NE-OE1 3.25Å; R7-E11 WeakPolarHBondContact O-CB 3.46Å; R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3.03Å
8Q85.8Confident83Confident25 Ų2563.4 Ų63.412%0.11731%0.309CS..Hα-helixtrans-65.1-33.2176.1-69.1178.2-3.500113.1V4 V5 W6 L12 I107 L111V4-Q8 WeakPolarHBondContact O-CG 3.46Å; V4-Q8 PolarHBondContact O-N 3.46Å; V4-Q8 VanDerWaalsContact O-N 3.11Å; V5-Q8 PolarHBondContact O-N 2.95Å; W6-Q8 VanDerWaalsContact C-N 3.34Å; W6-Q8 PolarHBondContact O-N 3.24Å; Q8-L12 WeakPolarHBondContact O-CB 3.12Å; Q8-L12 PolarHBondContact O-N 3.09Å; Q8-I107 PolarHBondContact NE2-O 3.01Å; Q8-L111 HydrophobicContact CB-CD1 4.15Å; Q8-L111 HydrophobicContact CB-CG 3.91Å
9L87.3Confident83.3Confident1 Ų165.5 Ų65.51%0.00532%0.318CS..Hα-helixtrans-70.4-43.8175.5-177.858.2000111.4V5 W6 R7 L12 I13 I26 W29 I42 F44 L111V5-L9 WeakPolarHBondContact O-CB 3.31Å; V5-L9 PolarHBondContact O-N 3.19Å; W6-L9 HydrophobicContact CE3-CD2 4.26Å; W6-L9 HydrophobicContact CZ3-CD2 4.17Å; W6-L9 PolarHBondContact O-N 3.25Å; R7-L9 VanDerWaalsContact C-N 3.32Å; R7-L9 PolarHBondContact O-N 2.9Å; L9-L12 PolarHBondContact O-N 3.38Å; L9-I13 HydrophobicContact CD1-CD1 4.17Å; L9-I13 HydrophobicContact CD1-CG1 4.34Å; L9-I13 HydrophobicContact CG-CD1 3.96Å; L9-I13 WeakPolarHBondContact O-CB 3.3Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.34Å; L9-I26 HydrophobicContact CD1-CD1 4.34Å; L9-W29 HydrophobicContact CD2-CB 4.22Å; L9-I42 HydrophobicContact CD2-CG2 4.07Å; L9-F44 HydrophobicContact CD1-CB 4.32Å; L9-F44 HydrophobicContact CD1-CD1 3.9Å; L9-F44 HydrophobicContact CD1-CD2 3.92Å; L9-F44 HydrophobicContact CD1-CE1 4.13Å; L9-F44 HydrophobicContact CD1-CE2 4.13Å; L9-F44 HydrophobicContact CD1-CG 3.79Å; L9-F44 HydrophobicContact CD1-CZ 4.24Å; L9-F44 HydrophobicContact CD2-CD1 4.42Å; L9-L111 HydrophobicContact CB-CD1 4.07Å
10S83.3Confident83.7Confident47 Ų4763 Ų6333%0.32931%0.307SS..Hα-helixtrans-64.1-43.3174-60.30000112.3W6 R7 L12 I13 C14W6-S10 PolarHBondContact O-N 3.27Å; W6-S10 PolarHBondContact O-OG 3.09Å; R7-S10 PolarHBondContact O-N 2.91Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 2.84Å; S10-I13 PolarHBondContact O-N 3.02Å; S10-C14 PolarHBondContact O-N 2.85Å
11E84.9Confident84Confident99 Ų9966.9 Ų66.946%0.46333%0.329SS..Hα-helixtrans-56.3-45.5171.2-74.5165.4-161.500110.7R7 V15R7-E11 WeakPolarHBondContact CD-OE1 3.33Å; R7-E11 WeakPolarHBondContact CG-OE1 3.34Å; R7-E11 IonicContact CZ-OE1 2.61Å; R7-E11 IonicContact NE-OE1 3.29Å; R7-E11 PolarHBondContact NE-OE1 3.25Å; R7-E11 WeakPolarHBondContact O-CB 3.46Å; R7-E11 WeakPolarHBondContact O-CG 3.35Å; R7-E11 PolarHBondContact O-N 3.03Å; E11-V15 WeakPolarHBondContact O-CB 3.42Å; E11-V15 VanDerWaalsContact O-CG2 3.3Å; E11-V15 WeakPolarHBondContact O-CG2 3.49Å; E11-V15 PolarHBondContact O-N 2.87Å
12L87.5Confident85.1Confident9 Ų965.2 Ų65.25%0.04733%0.331CS..Hα-helixtrans-65.9-47.1179.2-173.767000112.3Q8 L9 S10 C14 V15 I16 I26 F44 L111 K112 I115Q8-L12 WeakPolarHBondContact O-CB 3.12Å; Q8-L12 PolarHBondContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.38Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 2.84Å; L12-C14 VanDerWaalsContact C-N 3.26Å; L12-C14 PolarHBondContact O-N 3.32Å; L12-V15 PolarHBondContact O-N 2.95Å; L12-V15 VanDerWaalsContact O-N 3.12Å; L12-I16 HydrophobicContact CD1-CB 3.89Å; L12-I16 HydrophobicContact CD1-CD1 4.06Å; L12-I16 HydrophobicContact CD1-CG1 4.02Å; L12-I16 HydrophobicContact CD2-CD1 4.46Å; L12-I16 HydrophobicContact CG-CB 4.18Å; L12-I16 HydrophobicContact CG-CD1 4.16Å; L12-I16 HydrophobicContact CG-CG1 4.49Å; L12-I16 WeakPolarHBondContact O-CB 3.5Å; L12-I16 VanDerWaalsContact O-CG2 3.27Å; L12-I16 WeakPolarHBondContact O-CG2 3.4Å; L12-I16 PolarHBondContact O-N 3.3Å; L12-I26 HydrophobicContact CD2-CD1 4.16Å; L12-F44 HydrophobicContact CD2-CE2 4.12Å; L12-F44 HydrophobicContact CD2-CZ 4.43Å; L12-L111 HydrophobicContact CD2-CB 4.07Å; L12-K112 HydrophobicContact CD1-CB 4.15Å; L12-I115 HydrophobicContact CD1-CG1 4.04Å; L12-I115 HydrophobicContact CD2-CD1 4.28Å; L12-I115 HydrophobicContact CD2-CG1 3.98Å
13I85.5Confident86.1Confident52 Ų5260.3 Ų60.327%0.26731%0.312SS..Hα-helixtrans-55.5-40.7179.5-73.7163.7000111.5L9 S10 V15 I26 W29L9-I13 HydrophobicContact CD1-CD1 4.17Å; L9-I13 HydrophobicContact CD1-CG1 4.34Å; L9-I13 HydrophobicContact CG-CD1 3.96Å; L9-I13 WeakPolarHBondContact O-CB 3.3Å; L9-I13 VanDerWaalsContact O-CG1 3.26Å; L9-I13 WeakPolarHBondContact O-CG1 3.49Å; L9-I13 PolarHBondContact O-N 3.34Å; S10-I13 PolarHBondContact O-N 3.02Å; I13-V15 VanDerWaalsContact C-N 3.34Å; I13-V15 PolarHBondContact O-N 3.08Å; I13-I26 HydrophobicContact CG1-CB 4.27Å; I13-I26 HydrophobicContact CG1-CD1 4.46Å; I13-I26 HydrophobicContact CG1-CG1 3.91Å; I13-I26 HydrophobicContact CG1-CG2 4.11Å; I13-W29 HydrophobicContact CD1-CD2 3.85Å; I13-W29 HydrophobicContact CD1-CE3 3.84Å; I13-W29 HydrophobicContact CD1-CG 4.38Å; I13-W29 HydrophobicContact CD1-CH2 4.42Å; I13-W29 HydrophobicContact CD1-CZ2 4.44Å; I13-W29 HydrophobicContact CD1-CZ3 4.13Å; I13-W29 HydrophobicContact CG1-CE3 4.47Å
14C78.9Confident87Confident37 Ų3753.1 Ų53.125%0.2528%0.281CS..Hα-helixtrans-76.7-14.2-178.4-700000115.1S10 L12 L347S10-C14 PolarHBondContact O-N 2.85Å; L12-C14 VanDerWaalsContact C-N 3.26Å; L12-C14 PolarHBondContact O-N 3.32Å; C14-L347 HydrophobicContact CB-CD2 4.29Å
15V86.3Confident87.7Confident51 Ų5154 Ų5431%0.30928%0.279SS..Hα-helixtrans-132.5-23.9-162.6-176.90000114E11 L12 I13 E17 T18 E19E11-V15 WeakPolarHBondContact O-CB 3.42Å; E11-V15 VanDerWaalsContact O-CG2 3.3Å; E11-V15 WeakPolarHBondContact O-CG2 3.49Å; E11-V15 PolarHBondContact O-N 2.87Å; L12-V15 PolarHBondContact O-N 2.95Å; L12-V15 VanDerWaalsContact O-N 3.12Å; I13-V15 VanDerWaalsContact C-N 3.34Å; I13-V15 PolarHBondContact O-N 3.08Å; V15-E17 PolarHBondContact O-N 2.93Å; V15-T18 PolarHBondContact O-N 3.49Å; V15-T18 PolarHBondContact O-OG1 2.71Å; V15-E19 HydrophobicContact CG1-CB 4.29Å; V15-E19 HydrophobicContact CG1-CG 3.49Å; V15-E19 VanDerWaalsContact CG1-CG 3.49Å; V15-E19 VanDerWaalsContact CG1-OE2 3.27Å; V15-E19 WeakPolarHBondContact CG1-OE2 3.11Å; V15-E19 PolarHBondContact O-N 2.95Å
16I90.8Very high88.2Confident6 Ų654.9 Ų54.93%0.03128%0.284CS..Hα-helixtrans-53.7-45.7-174.7-168.7176.8000113.7L12 T18 T20 A24 I26 V46 I115L12-I16 HydrophobicContact CD1-CB 3.89Å; L12-I16 HydrophobicContact CD1-CD1 4.06Å; L12-I16 HydrophobicContact CD1-CG1 4.02Å; L12-I16 HydrophobicContact CD2-CD1 4.46Å; L12-I16 HydrophobicContact CG-CB 4.18Å; L12-I16 HydrophobicContact CG-CD1 4.16Å; L12-I16 HydrophobicContact CG-CG1 4.49Å; L12-I16 WeakPolarHBondContact O-CB 3.5Å; L12-I16 VanDerWaalsContact O-CG2 3.27Å; L12-I16 WeakPolarHBondContact O-CG2 3.4Å; L12-I16 PolarHBondContact O-N 3.3Å; I16-T18 PolarHBondContact O-N 3.43Å; I16-T20 WeakPolarHBondContact O-CB 3.37Å; I16-T20 WeakPolarHBondContact O-CG2 3.42Å; I16-T20 PolarHBondContact O-N 3.28Å; I16-T20 VanDerWaalsContact O-N 3.11Å; I16-T20 PolarHBondContact O-OG1 3.09Å; I16-A24 HydrophobicContact CD1-CB 3.8Å; I16-A24 HydrophobicContact CG1-CB 3.72Å; I16-I26 HydrophobicContact CD1-CG1 4.3Å; I16-I26 HydrophobicContact CG2-CG1 4.17Å; I16-V46 HydrophobicContact CD1-CG1 4.01Å; I16-I115 HydrophobicContact CD1-CD1 4.45Å; I16-I115 HydrophobicContact CD1-CG1 4.06Å; I16-I115 HydrophobicContact CD1-CG2 3.92Å; I16-I115 HydrophobicContact CG1-CG2 4.18Å
17E88.4Confident88.6Confident90 Ų9055.5 Ų55.542%0.42129%0.291SS..Hα-helixtrans-74.7-25.9-174-170.3168.6-164.300112.3V15 G22 A24 K25V15-E17 PolarHBondContact O-N 2.93Å; E17-G22 WeakPolarHBondContact O-CA 3.45Å; E17-G22 PolarHBondContact O-N 2.89Å; E17-A24 WeakPolarHBondContact CA-O 3.46Å; E17-K25 IonicContact OE1-NZ 2.6Å; E17-K25 PolarHBondContact OE1-NZ 2.89Å; E17-K25 IonicContact OE2-NZ 2.94Å; E17-K25 PolarHBondContact OE2-NZ 2.86Å
18T87.6Confident89Confident106 Ų10650 Ų5065%0.6528%0.276SS*.Hα-helixtrans-86.3-42.6176.252.20000112.1V15 I16 T20 N21V15-T18 PolarHBondContact O-N 3.49Å; V15-T18 PolarHBondContact O-OG1 2.71Å; I16-T18 PolarHBondContact O-N 3.43Å; T18-T20 VanDerWaalsContact C-N 3.34Å; T18-T20 PolarHBondContact O-N 2.86Å; T18-N21 PolarHBondContact O-N 3.03Å
19E89.3Confident89.1Confident104 Ų10453.2 Ų53.249%0.48629%0.287SS..Hα-helixtrans-70.9-26.5179-81.1-170.9131.800114V15 K112V15-E19 HydrophobicContact CG1-CB 4.29Å; V15-E19 HydrophobicContact CG1-CG 3.49Å; V15-E19 VanDerWaalsContact CG1-CG 3.49Å; V15-E19 VanDerWaalsContact CG1-OE2 3.27Å; V15-E19 WeakPolarHBondContact CG1-OE2 3.11Å; V15-E19 PolarHBondContact O-N 2.95Å; E19-K112 IonicContact OE1-NZ 3.59Å; E19-K112 PolarHBondContact OE1-NZ 2.86Å; E19-K112 WeakPolarHBondContact OE2-CD 3.5Å; E19-K112 WeakPolarHBondContact OE2-CE 3.37Å; E19-K112 IonicContact OE2-NZ 3.43Å; E19-K112 PolarHBondContact OE2-NZ 3.03Å
20T90.6Very high88.4Confident14 Ų1455.8 Ų55.89%0.08630%0.301CS..THydrogen-bonded Turntrans-93.76.717764.20000113.6I16 T18 G22 Q23 A24 L119I16-T20 WeakPolarHBondContact O-CB 3.37Å; I16-T20 WeakPolarHBondContact O-CG2 3.42Å; I16-T20 PolarHBondContact O-N 3.28Å; I16-T20 VanDerWaalsContact O-N 3.11Å; I16-T20 PolarHBondContact O-OG1 3.09Å; T18-T20 VanDerWaalsContact C-N 3.34Å; T18-T20 PolarHBondContact O-N 2.86Å; T20-G22 VanDerWaalsContact C-N 3.29Å; T20-G22 PolarHBondContact O-N 3.37Å; T20-Q23 WeakPolarHBondContact O-CB 3.46Å; T20-Q23 VanDerWaalsContact O-CG 3.24Å; T20-Q23 WeakPolarHBondContact O-CG 3.46Å; T20-Q23 PolarHBondContact O-N 3.37Å; T20-Q23 PolarHBondContact O-NE2 3.21Å; T20-Q23 PolarHBondContact OG1-N 2.89Å; T20-A24 HydrophobicContact CG2-CB 3.92Å; T20-A24 PolarHBondContact OG1-N 2.89Å; T20-L119 HydrophobicContact CG2-CD1 3.8Å
21N91Very high86.9Confident145 Ų14557.4 Ų57.478%0.77531%0.306SS*.THydrogen-bonded Turntrans53.241.8-173-63.8-40.9000113.2T18 Q23T18-N21 PolarHBondContact O-N 3.03Å; N21-Q23 VanDerWaalsContact C-N 3.34Å; N21-Q23 PolarHBondContact O-N 3.29Å
22G90.6Very high85.3Confident39 Ų3956 Ų5640%0.40230%0.301SS..THydrogen-bonded Turntrans82.9-1.4-179.700000115.7E17 T20 A24E17-G22 WeakPolarHBondContact O-CA 3.45Å; E17-G22 PolarHBondContact O-N 2.89Å; T20-G22 VanDerWaalsContact C-N 3.29Å; T20-G22 PolarHBondContact O-N 3.37Å; G22-A24 VanDerWaalsContact C-N 3.35Å; G22-A24 PolarHBondContact O-N 3.24Å
23Q95.7Very high83Confident17 Ų1759.3 Ų59.38%0.07933%0.325CS..SBendtrans-77.7-14.5-176.7-62.9-17584.800114.9T20 N21 I48 S49 N51 L119 Y123T20-Q23 WeakPolarHBondContact O-CB 3.46Å; T20-Q23 VanDerWaalsContact O-CG 3.24Å; T20-Q23 WeakPolarHBondContact O-CG 3.46Å; T20-Q23 PolarHBondContact O-N 3.37Å; T20-Q23 PolarHBondContact O-NE2 3.21Å; T20-Q23 PolarHBondContact OG1-N 2.89Å; N21-Q23 VanDerWaalsContact C-N 3.34Å; N21-Q23 PolarHBondContact O-N 3.29Å; Q23-I48 CarbonylContact O-C 3.57Å; Q23-I48 WeakPolarHBondContact O-CA 3.46Å; Q23-S49 WeakPolarHBondContact CA-O 3.31Å; Q23-S49 WeakPolarHBondContact CB-O 3.38Å; Q23-S49 WeakPolarHBondContact CG-O 3.49Å; Q23-S49 PolarHBondContact O-N 2.86Å; Q23-N51 HydrophobicContact CG-CB 3.96Å; Q23-N51 PolarHBondContact OE1-OD1 3.08Å; Q23-L119 HydrophobicContact CB-CD2 3.94Å; Q23-Y123 PolarHBondContact NE2-OH 2.94Å; Q23-Y123 PolarHBondContact OE1-OH 2.6Å
24A96.3Very high80.9Confident0 Ų063.8 Ų63.80%035%0.35CS..EExtended strand (participates in β ladder)trans-136.6135.6174.800000111.2I16 E17 T20 G22 V46 K47 I48 I115I16-A24 HydrophobicContact CD1-CB 3.8Å; I16-A24 HydrophobicContact CG1-CB 3.72Å; E17-A24 WeakPolarHBondContact CA-O 3.46Å; T20-A24 HydrophobicContact CG2-CB 3.92Å; T20-A24 PolarHBondContact OG1-N 2.89Å; G22-A24 VanDerWaalsContact C-N 3.35Å; G22-A24 PolarHBondContact O-N 3.24Å; A24-V46 HydrophobicContact CB-CG1 4.45Å; A24-K47 VanDerWaalsContact CA-O 3.32Å; A24-K47 WeakPolarHBondContact CA-O 3.43Å; A24-I48 HydrophobicContact CB-CD1 3.69Å; A24-I115 HydrophobicContact CB-CG2 3.58Å
25K94.3Very high79.2Confident81 Ų8167.2 Ų67.235%0.35237%0.365SS..EExtended strand (participates in β ladder)trans-143.9130.9-176.2-167.8-176.8-176.977.80110.8E17 L27 V46 K47E17-K25 IonicContact OE1-NZ 2.6Å; E17-K25 PolarHBondContact OE1-NZ 2.89Å; E17-K25 IonicContact OE2-NZ 2.94Å; E17-K25 PolarHBondContact OE2-NZ 2.86Å; K25-L27 PolarHBondContact O-N 3.02Å; K25-V46 CarbonylContact O-C 3.56Å; K25-V46 WeakPolarHBondContact O-CA 3.44Å; K25-K47 PolarHBondContact N-O 3.33Å; K25-K47 PolarHBondContact O-N 3.17Å
26I93.5Very high77.1Confident21 Ų2170.5 Ų70.511%0.10839%0.391CS..EExtended strand (participates in β ladder)trans-68.6128.8170.9-63.7-81.4000108.5L9 L12 I13 I16 W29 F44 V46L9-I26 HydrophobicContact CD1-CD1 4.34Å; L12-I26 HydrophobicContact CD2-CD1 4.16Å; I13-I26 HydrophobicContact CG1-CB 4.27Å; I13-I26 HydrophobicContact CG1-CD1 4.46Å; I13-I26 HydrophobicContact CG1-CG1 3.91Å; I13-I26 HydrophobicContact CG1-CG2 4.11Å; I16-I26 HydrophobicContact CD1-CG1 4.3Å; I16-I26 HydrophobicContact CG2-CG1 4.17Å; I26-W29 HydrophobicContact CG2-CE3 3.63Å; I26-W29 HydrophobicContact CG2-CZ3 4.06Å; I26-F44 HydrophobicContact CD1-CD2 3.49Å; I26-F44 VanDerWaalsContact CD1-CD2 3.49Å; I26-F44 HydrophobicContact CD1-CE2 3.79Å; I26-V46 HydrophobicContact CD1-CG2 3.92Å
27L91.9Very high74.9Confident69 Ų6976.4 Ų76.436%0.36142%0.422SS..EExtended strand (participates in β ladder)trans-94.1-46.2177.9-68.5178.5000112.1K25 R45 K47 E61K25-L27 PolarHBondContact O-N 3.02Å; L27-R45 HydrophobicContact CB-CB 4.41Å; L27-R45 PolarHBondContact N-O 3.46Å; L27-K47 HydrophobicContact CD1-CB 3.95Å; L27-K47 HydrophobicContact CD2-CB 4.01Å; L27-K47 HydrophobicContact CG-CB 3.93Å; L27-E61 HydrophobicContact CD1-CB 4.37Å; L27-E61 HydrophobicContact CD1-CG 3.69Å; L27-E61 WeakPolarHBondContact CD1-OE1 3.45Å; L27-E61 WeakPolarHBondContact CD1-OE2 3.44Å
28S89.6Confident73.1Confident36 Ų3679.9 Ų79.925%0.25244%0.439SS..EExtended strand (participates in β ladder)trans-162144.7-177.5600000109.9F44 R45S28-F44 CarbonylContact O-C 3.55Å; S28-F44 WeakPolarHBondContact O-CA 3.41Å; S28-R45 PolarHBondContact O-N 2.92Å; S28-R45 PolarHBondContact OG-NE 3.17Å; S28-R45 PolarHBondContact OG-NH2 3.23Å
29W87.7Confident71.7Confident93 Ų9377.4 Ų77.435%0.35243%0.426SS..EExtended strand (participates in β ladder)trans-127.9155.7168.661.393.1000108.9W6 L9 I13 I26 N31 F44W6-W29 AromaticContact CH2-CD1 3.85Å; L9-W29 HydrophobicContact CD2-CB 4.22Å; I13-W29 HydrophobicContact CD1-CD2 3.85Å; I13-W29 HydrophobicContact CD1-CE3 3.84Å; I13-W29 HydrophobicContact CD1-CG 4.38Å; I13-W29 HydrophobicContact CD1-CH2 4.42Å; I13-W29 HydrophobicContact CD1-CZ2 4.44Å; I13-W29 HydrophobicContact CD1-CZ3 4.13Å; I13-W29 HydrophobicContact CG1-CE3 4.47Å; I26-W29 HydrophobicContact CG2-CE3 3.63Å; I26-W29 HydrophobicContact CG2-CZ3 4.06Å; W29-N31 PolarHBondContact NE1-ND2 3.04Å; W29-N31 PolarHBondContact NE1-OD1 3.34Å; W29-N31 PolarHBondContact O-N 2.88Å; W29-F44 HydrophobicContact CB-CB 3.66Å
30D73.3Confident70.8Confident55 Ų5575.5 Ų75.529%0.29442%0.419SS..  trans-69.8131.3178.7-160.8-16.1000111W6 N32 Q43W6-D30 WeakPolarHBondContact CH2-O 3.41Å; D30-N32 PolarHBondContact OD1-N 3.44Å; D30-N32 PolarHBondContact OD1-ND2 3.37Å; D30-N32 PolarHBondContact OD2-ND2 3.4Å; D30-Q43 PolarHBondContact N-O 2.97Å
31N52.2Low70.4Confident82 Ų8278.4 Ų78.444%0.43943%0.432SS..  trans-120.956.2174.8-76.6-48.2000108.5W29 S33W29-N31 PolarHBondContact NE1-ND2 3.04Å; W29-N31 PolarHBondContact NE1-OD1 3.34Å; W29-N31 PolarHBondContact O-N 2.88Å; N31-S33 PolarHBondContact O-N 3.08Å
32N49.5Very low70.1Confident69 Ų6971.9 Ų71.937%0.36940%0.396SS..  trans-65.370176.8-98.4-37.1000112.7D30 N35D30-N32 PolarHBondContact OD1-N 3.44Å; D30-N32 PolarHBondContact OD1-ND2 3.37Å; D30-N32 PolarHBondContact OD2-ND2 3.4Å; N32-N35 PolarHBondContact OD1-ND2 3.39Å
33S41.2Very low70.1Confident78 Ų7873.2 Ų73.255%0.54539%0.392SS..SBendtrans-86.4-16.416860.30000113.2N31N31-S33 PolarHBondContact O-N 3.08Å
34N41Very low70Confident146 Ų14672.4 Ų72.478%0.78139%0.389SS*.SBendtrans-110.9-10.6-164.4-66.63.5000114.4
35N42.3Very low69.9Low109 Ų10977.2 Ų77.258%0.58341%0.407SS*.  trans-95.1122.8172.2-76.7-45.9000109.1N32 N37N32-N35 PolarHBondContact OD1-ND2 3.39Å; N35-N37 PolarHBondContact O-N 2.93Å
36S42.6Very low70.1Confident121 Ų12173.3 Ų73.385%0.84639%0.39SS*.SBendtrans-71.33.7-179.4570000114.6
37N45.2Very low70.3Confident129 Ų12974.2 Ų74.269%0.6939%0.393SS*.SBendtrans-103.5113.3178.4-62.6-1.7000107.1N35 S39N35-N37 PolarHBondContact O-N 2.93Å; N37-S39 PolarHBondContact O-N 3.07Å
38Q49.4Very low70.6Confident164 Ų16471 Ų7177%0.76638%0.376SS*.  trans-62.8101.8176.3-177.2-175-52.900109.3D40Q38-D40 PolarHBondContact NE2-OD1 2.82Å; Q38-D40 PolarHBondContact O-N 3.29Å
39S58.6Low70.9Confident54 Ų5470.3 Ų70.338%0.37837%0.371SS..  trans-77.4111.4173.253.50000109.3N37 E41N37-S39 PolarHBondContact O-N 3.07Å; S39-E41 PolarHBondContact O-N 3.41Å
40D71.3Confident71.3Confident64 Ų6466 Ų6634%0.34236%0.355SS..  trans-77.929.6175.7-66.7-46.8000112.6Q38 L68 E69Q38-D40 PolarHBondContact NE2-OD1 2.82Å; Q38-D40 PolarHBondContact O-N 3.29Å; D40-L68 HydrophobicContact CB-CB 4.42Å; D40-L68 VanDerWaalsContact O-CB 3.28Å; D40-L68 WeakPolarHBondContact O-CB 3.34Å; D40-L68 WeakPolarHBondContact O-CG 3.38Å; D40-L68 PolarHBondContact O-N 2.9Å; D40-E69 HydrophobicContact CB-CG 4.34Å
41E80.3Confident72.3Confident75 Ų7566 Ų6635%0.3536%0.356SS..EExtended strand (participates in β ladder)trans-124141.1173.9-57.7-165.5131.800110S39 I65 I66 R67S39-E41 PolarHBondContact O-N 3.41Å; E41-I65 HydrophobicContact CB-CG2 4.42Å; E41-I66 CarbonylContact C-O 3.46Å; E41-I66 WeakPolarHBondContact CA-O 3.47Å; E41-R67 HydrophobicContact CG-CG 4.17Å; E41-R67 IonicContact OE1-CZ 3.8Å; E41-R67 VanDerWaalsContact OE1-CZ 3.29Å; E41-R67 IonicContact OE1-NE 3.9Å; E41-R67 PolarHBondContact OE1-NE 2.88Å; E41-R67 IonicContact OE1-NH2 2.89Å; E41-R67 PolarHBondContact OE1-NH2 3.48Å
42I86.2Confident74.2Confident7 Ų768.1 Ų68.14%0.03636%0.362CS..EExtended strand (participates in β ladder)trans-114.9119.5170.1-66.6166.6000108.1V5 W6 L9 I66 L68V5-I42 HydrophobicContact CB-CD1 3.87Å; V5-I42 HydrophobicContact CG1-CD1 3.65Å; V5-I42 HydrophobicContact CG1-CG2 4.45Å; W6-I42 HydrophobicContact CG-CD1 4.26Å; W6-I42 VanDerWaalsContact NE1-CD1 3.32Å; L9-I42 HydrophobicContact CD2-CG2 4.07Å; I42-I66 PolarHBondContact N-O 3.23Å; I42-I66 PolarHBondContact O-N 3.19Å; I42-L68 HydrophobicContact CD1-CD1 3.87Å; I42-L68 HydrophobicContact CD1-CD2 4.11Å; I42-L68 HydrophobicContact CD1-CG 4.46Å; I42-L68 HydrophobicContact CG1-CD1 4.04Å
43Q89.3Confident76.3Confident67 Ų6767.2 Ų67.231%0.31337%0.37SS..EExtended strand (participates in β ladder)trans-115.3134.5-178.4178.6174.9-1.700110.8D30 E63 I64 I65D30-Q43 PolarHBondContact N-O 2.97Å; Q43-E63 HydrophobicContact CG-CG 4.27Å; Q43-E63 PolarHBondContact NE2-OE1 3.36Å; Q43-E63 PolarHBondContact NE2-OE2 3.3Å; Q43-I64 WeakPolarHBondContact CA-O 3.44Å; Q43-I65 HydrophobicContact CB-CG1 4.33Å; Q43-I65 HydrophobicContact CG-CG1 4.01Å
44F93.5Very high78.8Confident1 Ų166 Ų660%0.00436%0.357CS..EExtended strand (participates in β ladder)trans-148.8157.1171.267.2-81.3000112.3L9 L12 I26 S28 W29 V46 I64 I66 L111L9-F44 HydrophobicContact CD1-CB 4.32Å; L9-F44 HydrophobicContact CD1-CD1 3.9Å; L9-F44 HydrophobicContact CD1-CD2 3.92Å; L9-F44 HydrophobicContact CD1-CE1 4.13Å; L9-F44 HydrophobicContact CD1-CE2 4.13Å; L9-F44 HydrophobicContact CD1-CG 3.79Å; L9-F44 HydrophobicContact CD1-CZ 4.24Å; L9-F44 HydrophobicContact CD2-CD1 4.42Å; L12-F44 HydrophobicContact CD2-CE2 4.12Å; L12-F44 HydrophobicContact CD2-CZ 4.43Å; I26-F44 HydrophobicContact CD1-CD2 3.49Å; I26-F44 VanDerWaalsContact CD1-CD2 3.49Å; I26-F44 HydrophobicContact CD1-CE2 3.79Å; S28-F44 CarbonylContact O-C 3.55Å; S28-F44 WeakPolarHBondContact O-CA 3.41Å; W29-F44 HydrophobicContact CB-CB 3.66Å; F44-V46 HydrophobicContact CD2-CG2 3.85Å; F44-V46 HydrophobicContact CE2-CG2 3.69Å; F44-I64 HydrophobicContact CD1-CB 4.27Å; F44-I64 HydrophobicContact CD1-CG2 4.46Å; F44-I64 HydrophobicContact CE1-CB 3.84Å; F44-I64 HydrophobicContact CE1-CG2 3.66Å; F44-I64 HydrophobicContact CE2-CB 4.15Å; F44-I64 HydrophobicContact CE2-CD1 3.79Å; F44-I64 HydrophobicContact CE2-CG1 4.42Å; F44-I64 HydrophobicContact CZ-CB 3.79Å; F44-I64 HydrophobicContact CZ-CD1 3.81Å; F44-I64 HydrophobicContact CZ-CG1 4.36Å; F44-I64 HydrophobicContact CZ-CG2 3.72Å; F44-I64 PolarHBondContact N-O 3.06Å; F44-I64 PolarHBondContact O-N 2.7Å; F44-I66 HydrophobicContact CE1-CD1 3.93Å; F44-L111 HydrophobicContact CE1-CD1 4Å; F44-L111 HydrophobicContact CZ-CD1 4.03Å
45R96Very high81.4Confident100 Ų10059.1 Ų59.138%0.37732%0.32SS..EExtended strand (participates in β ladder)trans-116.8139.8179.6-68.6-174.9-63-144.5-2112L27 S28 F62 E63L27-R45 HydrophobicContact CB-CB 4.41Å; L27-R45 PolarHBondContact N-O 3.46Å; S28-R45 PolarHBondContact O-N 2.92Å; S28-R45 PolarHBondContact OG-NE 3.17Å; S28-R45 PolarHBondContact OG-NH2 3.23Å; R45-F62 CarbonylContact C-O 3.47Å; R45-F62 WeakPolarHBondContact CA-O 3.4Å; R45-E63 HydrophobicContact CG-CB 4.11Å; R45-E63 HydrophobicContact CG-CG 4.29Å
46V97Very high83.9Confident0 Ų054.6 Ų54.60%030%0.298CS..EExtended strand (participates in β ladder)trans-124.7132.5-178.1-173.70000108.3I16 A24 K25 I26 F44 I48 F62 I64 I115I16-V46 HydrophobicContact CD1-CG1 4.01Å; A24-V46 HydrophobicContact CB-CG1 4.45Å; K25-V46 CarbonylContact O-C 3.56Å; K25-V46 WeakPolarHBondContact O-CA 3.44Å; I26-V46 HydrophobicContact CD1-CG2 3.92Å; F44-V46 HydrophobicContact CD2-CG2 3.85Å; F44-V46 HydrophobicContact CE2-CG2 3.69Å; V46-I48 HydrophobicContact CG1-CD1 3.74Å; V46-I48 HydrophobicContact CG1-CG1 4.38Å; V46-F62 PolarHBondContact N-O 3.34Å; V46-F62 PolarHBondContact O-N 2.97Å; V46-I64 HydrophobicContact CG2-CD1 4Å; V46-I115 HydrophobicContact CG1-CD1 4.22Å; V46-I115 HydrophobicContact CG2-CD1 3.8Å
47K97.6Very high86.4Confident40 Ų4052.3 Ų52.317%0.17427%0.274CS..EExtended strand (participates in β ladder)trans-89131.2162.8-159.5172.673.7169.10109.3A24 K25 L27 E59 Y60 E61A24-K47 VanDerWaalsContact CA-O 3.32Å; A24-K47 WeakPolarHBondContact CA-O 3.43Å; K25-K47 PolarHBondContact N-O 3.33Å; K25-K47 PolarHBondContact O-N 3.17Å; L27-K47 HydrophobicContact CD1-CB 3.95Å; L27-K47 HydrophobicContact CD2-CB 4.01Å; L27-K47 HydrophobicContact CG-CB 3.93Å; K47-E59 HydrophobicContact CD-CB 4.2Å; K47-E59 HydrophobicContact CD-CG 4.33Å; K47-E59 WeakPolarHBondContact CD-OE2 3.36Å; K47-E59 VanDerWaalsContact CE-CD 3.47Å; K47-E59 WeakPolarHBondContact CE-OE1 3.25Å; K47-E59 WeakPolarHBondContact CE-OE2 3.44Å; K47-E59 HydrophobicContact CG-CB 4.48Å; K47-E59 IonicContact NZ-OE1 2.71Å; K47-E59 PolarHBondContact NZ-OE1 3.44Å; K47-E59 IonicContact NZ-OE2 3.56Å; K47-E59 PolarHBondContact NZ-OE2 3.31Å; K47-Y60 CarbonylContact C-O 3.59Å; K47-Y60 WeakPolarHBondContact CA-O 3.41Å; K47-E61 HydrophobicContact CG-CG 4.45Å
48I97.9Very high88.8Confident0 Ų046.1 Ų46.10%024%0.241CC..EExtended strand (participates in β ladder)trans-109.5137.7170.6-55.6-63.4000108.6Q23 A24 V46 P50 Y60 F62 I115 L118 L119 F122Q23-I48 CarbonylContact O-C 3.57Å; Q23-I48 WeakPolarHBondContact O-CA 3.46Å; A24-I48 HydrophobicContact CB-CD1 3.69Å; V46-I48 HydrophobicContact CG1-CD1 3.74Å; V46-I48 HydrophobicContact CG1-CG1 4.38Å; I48-P50 HydrophobicContact CG2-CG 4.38Å; I48-Y60 PolarHBondContact N-O 3.42Å; I48-Y60 PolarHBondContact O-N 3.13Å; I48-F62 HydrophobicContact CB-CD2 4.18Å; I48-F62 HydrophobicContact CB-CE2 4.03Å; I48-F62 HydrophobicContact CG1-CD2 3.64Å; I48-F62 HydrophobicContact CG1-CE2 3.86Å; I48-I115 HydrophobicContact CD1-CG2 4.11Å; I48-L118 HydrophobicContact CD1-CB 4.44Å; I48-L118 HydrophobicContact CG1-CB 4.36Å; I48-L118 HydrophobicContact CG1-CD1 4.4Å; I48-L119 HydrophobicContact CG2-CD2 3.7Å; I48-L119 HydrophobicContact CG2-CG 4.36Å; I48-F122 HydrophobicContact CB-CE2 4.09Å; I48-F122 HydrophobicContact CG2-CD2 3.75Å; I48-F122 HydrophobicContact CG2-CE2 3.57Å
49S96.7Very high91.1Very high23 Ų2342.2 Ų42.216%0.16122%0.223CC..  trans-144.677.8-170.5-58.30000109.4Q23 N51 A58Q23-S49 WeakPolarHBondContact CA-O 3.31Å; Q23-S49 WeakPolarHBondContact CB-O 3.38Å; Q23-S49 WeakPolarHBondContact CG-O 3.49Å; Q23-S49 PolarHBondContact O-N 2.86Å; S49-N51 PolarHBondContact O-N 3.38Å; S49-A58 WeakPolarHBondContact CA-O 3.1Å
50P97Very high92.9Very high1 Ų139.9 Ų39.91%0.00621%0.206CC..  trans-57.8137.5-174.4-23.434.7000111.9I48 A56 H57 A58 F122I48-P50 HydrophobicContact CG2-CG 4.38Å; P50-A56 CarbonylContact O-C 3.54Å; P50-A56 WeakPolarHBondContact O-CA 3.48Å; P50-H57 PolarHBondContact O-N 3.15Å; P50-A58 WeakPolarHBondContact CD-O 3.36Å; P50-F122 HydrophobicContact CB-CB 4.24Å; P50-F122 HydrophobicContact CG-CB 3.67Å; P50-F122 HydrophobicContact CG-CD1 3.94Å; P50-F122 HydrophobicContact CG-CD2 3.92Å; P50-F122 HydrophobicContact CG-CG 3.58Å
51N93.3Very high94.2Very high57 Ų5740.6 Ų40.631%0.30521%0.207SC..SBendtrans-86.7-24.1-179.874.5-39000113.3Q23 S49 H57 Y123Q23-N51 HydrophobicContact CG-CB 3.96Å; Q23-N51 PolarHBondContact OE1-OD1 3.08Å; S49-N51 PolarHBondContact O-N 3.38Å; N51-H57 PolarHBondContact O-CE1 2.97Å; N51-Y123 PolarHBondContact OD1-OH 2.91Å
52E91.7Very high95Very high125 Ų12537 Ų3758%0.58419%0.19SC*.SBendtrans-144.6172.3-169.3-72.9170.2-123.600109.8Y123E52-Y123 HydrophobicContact CB-CE1 4.24Å
53G93.2Very high95.5Very high51 Ų5137.7 Ų37.753%0.52619%0.193SC..SBendtrans82.8-169.1-17800000114.4Y55 A56G53-Y55 PolarHBondContact O-N 3.1Å; G53-A56 WeakPolarHBondContact O-CB 3.27Å; G53-A56 PolarHBondContact O-N 3.35Å
54L94.1Very high95.8Very high53 Ų5334.5 Ų34.528%0.27718%0.178SC..THydrogen-bonded Turntrans-66.2-25.7-174.7-64.2176.7000113.5P125 F143 Q144 V147L54-P125 HydrophobicContact CD1-CG 4.33Å; L54-F143 HydrophobicContact CD1-CD1 3.69Å; L54-F143 HydrophobicContact CD1-CE1 3.46Å; L54-F143 VanDerWaalsContact CD1-CE1 3.46Å; L54-F143 HydrophobicContact CD1-CZ 4.36Å; L54-Q144 HydrophobicContact CD2-CB 3.85Å; L54-Q144 HydrophobicContact CD2-CG 3.74Å; L54-V147 HydrophobicContact CB-CG1 4.33Å
55Y96.8Very high95.7Very high0 Ų035.7 Ų35.70%018%0.184CC..THydrogen-bonded Turntrans-105.715.7-176.7-57.3-82.1000113G53 H57 A58 Y60 Y84 H85 F122 P125 F143 V147G53-Y55 PolarHBondContact O-N 3.1Å; Y55-H57 PolarHBondContact O-N 2.86Å; Y55-A58 WeakPolarHBondContact O-CB 3.15Å; Y55-A58 PolarHBondContact O-N 3.26Å; Y55-Y60 WeakPolarHBondContact CD1-OH 3.48Å; Y55-Y84 WeakPolarHBondContact CE1-O 3.19Å; Y55-Y84 PolarHBondContact OH-O 3.42Å; Y55-H85 AromaticContact CE2-CD2 3.64Å; Y55-H85 AromaticContact CZ-CD2 3.7Å; Y55-H85 WeakPolarHBondContact OH-CA 3.42Å; Y55-F122 HydrophobicContact CD1-CD1 4.46Å; Y55-F122 HydrophobicContact CD2-CB 4.49Å; Y55-F122 AromaticContact CD2-CD1 3.9Å; Y55-F122 HydrophobicContact CD2-CD1 3.9Å; Y55-F122 AromaticContact CG-CD1 3.78Å; Y55-F122 HydrophobicContact CG-CD1 3.78Å; Y55-F122 HydrophobicContact CG-CE1 4.42Å; Y55-P125 HydrophobicContact CE2-CG 4.43Å; Y55-F143 WeakPolarHBondContact OH-CZ 3.3Å; Y55-V147 HydrophobicContact CD1-CG1 3.8Å; Y55-V147 HydrophobicContact CE1-CB 4.44Å; Y55-V147 HydrophobicContact CE1-CG1 3.56Å; Y55-V147 HydrophobicContact CE1-CG2 3.98Å
56A94.4Very high95.4Very high15 Ų1531.2 Ų31.212%0.12417%0.168CC..THydrogen-bonded Turntrans-53.7133.7-178.600000112.4P50 G53 A58 W167P50-A56 CarbonylContact O-C 3.54Å; P50-A56 WeakPolarHBondContact O-CA 3.48Å; G53-A56 WeakPolarHBondContact O-CB 3.27Å; G53-A56 PolarHBondContact O-N 3.35Å; A56-A58 PolarHBondContact O-N 3.34Å; A56-A58 VanDerWaalsContact O-N 3.17Å; A56-W167 VanDerWaalsContact O-CD1 3.23Å
57H93.9Very high94.8Very high72 Ų7236.7 Ų36.733%0.33319%0.188SC..THydrogen-bonded Turntrans64.97.3177.9-38.9-68000116.1P50 N51 Y55 A166 W167 W170P50-H57 PolarHBondContact O-N 3.15Å; N51-H57 PolarHBondContact O-CE1 2.97Å; Y55-H57 PolarHBondContact O-N 2.86Å; H57-A166 CarbonylContact O-C 3.58Å; H57-W167 PolarHBondContact O-N 2.86Å; H57-W170 HydrophobicContact CB-CB 4.03Å; H57-W170 HydrophobicContact CB-CD2 3.81Å; H57-W170 HydrophobicContact CB-CE3 4.35Å; H57-W170 HydrophobicContact CB-CG 3.62Å; H57-W170 AromaticContact CD2-CD1 3.79Å; H57-W170 AromaticContact CD2-CD2 3.53Å; H57-W170 AromaticContact CD2-CE2 3.01Å; H57-W170 AromaticContact CD2-CH2 3.87Å; H57-W170 AromaticContact CD2-CZ2 3.21Å; H57-W170 WeakPolarHBondContact CD2-CZ2 3.38Å; H57-W170 AromaticContact CD2-NE1 3.16Å; H57-W170 PolarHBondContact CD2-NE1 3.27Å; H57-W170 AromaticContact CE1-NE1 3.76Å; H57-W170 AromaticContact CG-CD1 3.54Å; H57-W170 AromaticContact CG-CD2 3.8Å; H57-W170 AromaticContact CG-CE2 3.61Å; H57-W170 AromaticContact CG-CG 3.81Å; H57-W170 AromaticContact CG-NE1 3.38Å; H57-W170 AromaticContact ND1-CD1 3.97Å; H57-W170 AromaticContact ND1-NE1 3.76Å; H57-W170 AromaticContact NE2-CE2 3.51Å; H57-W170 AromaticContact NE2-CZ2 3.51Å; H57-W170 AromaticContact NE2-NE1 3.37Å; H57-W170 PolarHBondContact NE2-NE1 3.39Å
58A96.3Very high93.9Very high0 Ų035.6 Ų35.60%018%0.184CC..  trans-77.6155.5161.900000110.6S49 P50 Y55 A56 Y60 L151 N164 W167S49-A58 WeakPolarHBondContact CA-O 3.1Å; P50-A58 WeakPolarHBondContact CD-O 3.36Å; Y55-A58 WeakPolarHBondContact O-CB 3.15Å; Y55-A58 PolarHBondContact O-N 3.26Å; A56-A58 PolarHBondContact O-N 3.34Å; A56-A58 VanDerWaalsContact O-N 3.17Å; A58-Y60 HydrophobicContact CB-CD2 4.41Å; A58-Y60 HydrophobicContact CB-CE2 3.52Å; A58-L151 HydrophobicContact CB-CD2 3.7Å; A58-N164 WeakPolarHBondContact CA-OD1 3.38Å; A58-W167 HydrophobicContact CB-CB 4.17Å
59E97.2Very high92.5Very high82 Ų8241.7 Ų41.738%0.38321%0.213SC..  trans-118.2135.9172.7-68.4-170.7161.800110.9K47 N164 A166K47-E59 HydrophobicContact CD-CB 4.2Å; K47-E59 HydrophobicContact CD-CG 4.33Å; K47-E59 WeakPolarHBondContact CD-OE2 3.36Å; K47-E59 VanDerWaalsContact CE-CD 3.47Å; K47-E59 WeakPolarHBondContact CE-OE1 3.25Å; K47-E59 WeakPolarHBondContact CE-OE2 3.44Å; K47-E59 HydrophobicContact CG-CB 4.48Å; K47-E59 IonicContact NZ-OE1 2.71Å; K47-E59 PolarHBondContact NZ-OE1 3.44Å; K47-E59 IonicContact NZ-OE2 3.56Å; K47-E59 PolarHBondContact NZ-OE2 3.31Å; E59-N164 PolarHBondContact N-OD1 2.93Å; E59-N164 PolarHBondContact O-ND2 3.3Å; E59-A166 HydrophobicContact CB-CB 3.94Å; E59-A166 HydrophobicContact CG-CB 3.47Å; E59-A166 VanDerWaalsContact CG-CB 3.47Å
60Y97.8Very high90.9Very high5 Ų546.2 Ų46.22%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-134.3135.1179-58.7-81.9000110.2K47 I48 Y55 A58 I83 F122 L151K47-Y60 CarbonylContact C-O 3.59Å; K47-Y60 WeakPolarHBondContact CA-O 3.41Å; I48-Y60 PolarHBondContact N-O 3.42Å; I48-Y60 PolarHBondContact O-N 3.13Å; Y55-Y60 WeakPolarHBondContact CD1-OH 3.48Å; A58-Y60 HydrophobicContact CB-CD2 4.41Å; A58-Y60 HydrophobicContact CB-CE2 3.52Å; Y60-I83 HydrophobicContact CD1-CB 4.14Å; Y60-I83 HydrophobicContact CD1-CD1 4.1Å; Y60-I83 HydrophobicContact CD1-CG1 4.26Å; Y60-I83 HydrophobicContact CE1-CB 3.83Å; Y60-I83 HydrophobicContact CE1-CD1 3.9Å; Y60-I83 HydrophobicContact CE1-CG1 3.71Å; Y60-F122 HydrophobicContact CD2-CD1 4.39Å; Y60-F122 AromaticContact CD2-CE1 3.38Å; Y60-F122 HydrophobicContact CD2-CE1 3.38Å; Y60-F122 HydrophobicContact CD2-CE2 4.41Å; Y60-F122 AromaticContact CD2-CZ 3.4Å; Y60-F122 HydrophobicContact CD2-CZ 3.4Å; Y60-F122 HydrophobicContact CE2-CD1 4.19Å; Y60-F122 AromaticContact CE2-CE1 3.39Å; Y60-F122 HydrophobicContact CE2-CE1 3.39Å; Y60-F122 AromaticContact CE2-CZ 3.94Å; Y60-F122 HydrophobicContact CE2-CZ 3.94Å; Y60-F122 HydrophobicContact CG-CE1 4.04Å; Y60-F122 AromaticContact CG-CZ 3.78Å; Y60-F122 HydrophobicContact CG-CZ 3.78Å; Y60-L151 WeakPolarHBondContact OH-CD2 3.33Å
61E97.6Very high89Confident78 Ų7856.2 Ų56.236%0.36427%0.27SS..EExtended strand (participates in β ladder)trans-95.6138.9172.7-59.1-164.9-175.800110.5L27 K47 M80 S81L27-E61 HydrophobicContact CD1-CB 4.37Å; L27-E61 HydrophobicContact CD1-CG 3.69Å; L27-E61 WeakPolarHBondContact CD1-OE1 3.45Å; L27-E61 WeakPolarHBondContact CD1-OE2 3.44Å; K47-E61 HydrophobicContact CG-CG 4.45Å; E61-M80 HydrophobicContact CB-CB 4.21Å; E61-M80 PolarHBondContact O-N 3.43Å; E61-S81 PolarHBondContact N-OG 2.79Å
62F98.1Very high87.5Confident0 Ų055.1 Ų55.10%027%0.273CS..EExtended strand (participates in β ladder)trans-126.1144.9175.6-71-92.5000110.3R45 V46 I48 V77 R78 C79 I88 V97 L118 F122R45-F62 CarbonylContact C-O 3.47Å; R45-F62 WeakPolarHBondContact CA-O 3.4Å; V46-F62 PolarHBondContact N-O 3.34Å; V46-F62 PolarHBondContact O-N 2.97Å; I48-F62 HydrophobicContact CB-CD2 4.18Å; I48-F62 HydrophobicContact CB-CE2 4.03Å; I48-F62 HydrophobicContact CG1-CD2 3.64Å; I48-F62 HydrophobicContact CG1-CE2 3.86Å; F62-V77 HydrophobicContact CD1-CG1 4.41Å; F62-R78 CarbonylContact C-O 3.6Å; F62-R78 WeakPolarHBondContact CA-O 3.49Å; F62-R78 WeakPolarHBondContact CD1-O 3.23Å; F62-C79 HydrophobicContact CD1-CB 4.04Å; F62-C79 HydrophobicContact CE1-CB 3.7Å; F62-C79 HydrophobicContact CZ-CB 4.36Å; F62-I88 HydrophobicContact CE1-CD1 4.33Å; F62-I88 HydrophobicContact CZ-CD1 4.15Å; F62-V97 HydrophobicContact CD1-CG2 4.09Å; F62-V97 HydrophobicContact CE1-CG2 3.89Å; F62-L118 HydrophobicContact CB-CD1 4.15Å; F62-L118 HydrophobicContact CD1-CD1 4.19Å; F62-L118 HydrophobicContact CD1-CD2 3.71Å; F62-L118 HydrophobicContact CD2-CD1 4.32Å; F62-L118 HydrophobicContact CE1-CD2 3.6Å; F62-L118 HydrophobicContact CG-CD1 3.96Å; F62-L118 HydrophobicContact CG-CD2 4.26Å; F62-L118 HydrophobicContact CZ-CD2 4.05Å; F62-F122 AromaticContact CE2-CE2 3.74Å; F62-F122 HydrophobicContact CE2-CE2 3.74Å; F62-F122 AromaticContact CE2-CZ 3.77Å; F62-F122 HydrophobicContact CE2-CZ 3.77Å; F62-F122 AromaticContact CZ-CE2 3.83Å; F62-F122 HydrophobicContact CZ-CE2 3.83Å; F62-F122 AromaticContact CZ-CZ 3.72Å; F62-F122 HydrophobicContact CZ-CZ 3.72Å
63E96.3Very high86.6Confident22 Ų2251.9 Ų51.910%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-111.1133.5173.7179.9162.1-89.400109.9Q43 R45 I65 V77 R78 M80Q43-E63 HydrophobicContact CG-CG 4.27Å; Q43-E63 PolarHBondContact NE2-OE1 3.36Å; Q43-E63 PolarHBondContact NE2-OE2 3.3Å; R45-E63 HydrophobicContact CG-CB 4.11Å; R45-E63 HydrophobicContact CG-CG 4.29Å; E63-I65 HydrophobicContact CG-CD1 4.42Å; E63-I65 HydrophobicContact CG-CG1 4.15Å; E63-V77 CarbonylContact O-C 3.56Å; E63-V77 WeakPolarHBondContact O-CA 3.28Å; E63-R78 PolarHBondContact N-O 3.48Å; E63-R78 PolarHBondContact O-N 3.24Å; E63-M80 HydrophobicContact CB-CG 3.67Å; E63-M80 HydrophobicContact CB-SD 3.93Å
64I95Very high86.3Confident0 Ų052.8 Ų52.80%025%0.253CS..EExtended strand (participates in β ladder)trans-125.1118.9-179-58177000107.8Q43 F44 V46 I66 P75 V76 V77 I114 I115Q43-I64 WeakPolarHBondContact CA-O 3.44Å; F44-I64 HydrophobicContact CD1-CB 4.27Å; F44-I64 HydrophobicContact CD1-CG2 4.46Å; F44-I64 HydrophobicContact CE1-CB 3.84Å; F44-I64 HydrophobicContact CE1-CG2 3.66Å; F44-I64 HydrophobicContact CE2-CB 4.15Å; F44-I64 HydrophobicContact CE2-CD1 3.79Å; F44-I64 HydrophobicContact CE2-CG1 4.42Å; F44-I64 HydrophobicContact CZ-CB 3.79Å; F44-I64 HydrophobicContact CZ-CD1 3.81Å; F44-I64 HydrophobicContact CZ-CG1 4.36Å; F44-I64 HydrophobicContact CZ-CG2 3.72Å; F44-I64 PolarHBondContact N-O 3.06Å; F44-I64 PolarHBondContact O-N 2.7Å; V46-I64 HydrophobicContact CG2-CD1 4Å; I64-I66 HydrophobicContact CG2-CG1 4.3Å; I64-P75 HydrophobicContact CG2-CB 4.36Å; I64-V76 WeakPolarHBondContact CA-O 3.2Å; I64-V77 HydrophobicContact CG1-CG1 4.23Å; I64-V77 HydrophobicContact CG1-CG2 4.32Å; I64-I114 HydrophobicContact CD1-CG2 3.96Å; I64-I114 HydrophobicContact CG2-CD1 4.18Å; I64-I115 HydrophobicContact CD1-CD1 3.82Å
65I91.4Very high86.1Confident26 Ų2650.4 Ų50.413%0.13324%0.241CC..EExtended strand (participates in β ladder)trans-116.7129.3-179.7-56.1168.4000108.7E41 Q43 E63 P75 V76E41-I65 HydrophobicContact CB-CG2 4.42Å; Q43-I65 HydrophobicContact CB-CG1 4.33Å; Q43-I65 HydrophobicContact CG-CG1 4.01Å; E63-I65 HydrophobicContact CG-CD1 4.42Å; E63-I65 HydrophobicContact CG-CG1 4.15Å; I65-P75 CarbonylContact O-C 3.54Å; I65-P75 WeakPolarHBondContact O-CA 3.39Å; I65-V76 HydrophobicContact CB-CB 4.39Å; I65-V76 PolarHBondContact N-O 3.38Å; I65-V76 PolarHBondContact O-N 3.24Å
66I89.3Confident85.9Confident5 Ų553 Ų533%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-123.4111.4-177.2-54.5170.3000109V5 E41 I42 F44 I64 L68 P75 L111V5-I66 HydrophobicContact CG1-CB 4.4Å; V5-I66 HydrophobicContact CG1-CD1 3.54Å; V5-I66 HydrophobicContact CG1-CG2 4.13Å; V5-I66 HydrophobicContact CG2-CG2 4.2Å; E41-I66 CarbonylContact C-O 3.46Å; E41-I66 WeakPolarHBondContact CA-O 3.47Å; I42-I66 PolarHBondContact N-O 3.23Å; I42-I66 PolarHBondContact O-N 3.19Å; F44-I66 HydrophobicContact CE1-CD1 3.93Å; I64-I66 HydrophobicContact CG2-CG1 4.3Å; I66-L68 HydrophobicContact CG2-CD2 4.3Å; I66-P75 HydrophobicContact CG1-CB 4.12Å; I66-P75 HydrophobicContact CG1-CG 4.21Å; I66-L111 HydrophobicContact CD1-CD1 3.95Å; I66-L111 HydrophobicContact CD1-CD2 3.44Å; I66-L111 VanDerWaalsContact CD1-CD2 3.44Å; I66-L111 HydrophobicContact CD1-CG 4.35Å
67R86Confident86Confident115 Ų11552.7 Ų52.743%0.43425%0.253SS..EExtended strand (participates in β ladder)trans-75.8147.4171.7-64.7-168.6165.213610.6111.2E41 E73E41-R67 HydrophobicContact CG-CG 4.17Å; E41-R67 IonicContact OE1-CZ 3.8Å; E41-R67 VanDerWaalsContact OE1-CZ 3.29Å; E41-R67 IonicContact OE1-NE 3.9Å; E41-R67 PolarHBondContact OE1-NE 2.88Å; E41-R67 IonicContact OE1-NH2 2.89Å; E41-R67 PolarHBondContact OE1-NH2 3.48Å; R67-E73 HydrophobicContact CB-CB 4.45Å; R67-E73 WeakPolarHBondContact CB-OE2 3.22Å; R67-E73 VanDerWaalsContact CD-OE2 3.29Å; R67-E73 WeakPolarHBondContact CD-OE2 3.41Å
68L77.5Confident86.1Confident18 Ų1854.2 Ų54.29%0.09426%0.256CS..  trans-117.6-3.9-174.2-55.9178.8000113.9M1 Y2 V5 D40 I42 I66M1-L68 HydrophobicContact CB-CB 4.37Å; M1-L68 HydrophobicContact CB-CD2 4.09Å; M1-L68 HydrophobicContact CG-CD2 3.89Å; M1-L68 HydrophobicContact SD-CD2 3.66Å; Y2-L68 HydrophobicContact CD2-CD1 3.46Å; Y2-L68 VanDerWaalsContact CD2-CD1 3.46Å; Y2-L68 HydrophobicContact CE2-CD1 4.34Å; Y2-L68 HydrophobicContact CG-CD1 4.16Å; V5-L68 HydrophobicContact CB-CD2 4.46Å; V5-L68 HydrophobicContact CG2-CD2 3.96Å; D40-L68 HydrophobicContact CB-CB 4.42Å; D40-L68 VanDerWaalsContact O-CB 3.28Å; D40-L68 WeakPolarHBondContact O-CB 3.34Å; D40-L68 WeakPolarHBondContact O-CG 3.38Å; D40-L68 PolarHBondContact O-N 2.9Å; I42-L68 HydrophobicContact CD1-CD1 3.87Å; I42-L68 HydrophobicContact CD1-CD2 4.11Å; I42-L68 HydrophobicContact CD1-CG 4.46Å; I42-L68 HydrophobicContact CG1-CD1 4.04Å; I66-L68 HydrophobicContact CG2-CD2 4.3Å
69E68.7Low86.1Confident127 Ų12754.3 Ų54.359%0.59326%0.256SS*.SBendtrans-60-52.1-175.9-61-177-16400111.8D40D40-E69 HydrophobicContact CB-CG 4.34Å
70H62.8Low86.1Confident119 Ų11953 Ų5355%0.55125%0.251SS*.SBendtrans-122.4146.2-177.2-50.784.9000114.2M1 G72 E73M1-H70 WeakPolarHBondContact CE-O 3.47Å; H70-G72 PolarHBondContact O-N 2.88Å; H70-G72 VanDerWaalsContact O-N 3.14Å; H70-E73 HydrophobicContact CB-CG 4.19Å; H70-E73 VanDerWaalsContact CB-OE1 3.3Å; H70-E73 WeakPolarHBondContact CB-OE1 3.29Å; H70-E73 IonicContact CG-OE1 3.48Å; H70-E73 PolarHBondContact N-OE1 3.04Å; H70-E73 IonicContact ND1-OE1 3.87Å; H70-E73 PolarHBondContact ND1-OE1 3.44Å; H70-E73 PolarHBondContact O-N 3.34Å
71Y57.4Low86Confident210 Ų21054 Ų5482%0.82426%0.259SS*.THydrogen-bonded Turntrans-69.9109.3178.5-167.6-80.4000111.2
72G61.7Low85.8Confident35 Ų3552.5 Ų52.536%0.36125%0.252SS..THydrogen-bonded Turntrans111.84.5177.400000115H70 T74H70-G72 PolarHBondContact O-N 2.88Å; H70-G72 VanDerWaalsContact O-N 3.14Å; G72-T74 PolarHBondContact O-N 3.14Å
73E73.6Confident85.7Confident56 Ų5652.7 Ų52.726%0.26225%0.252SS..PPolyproline II helixtrans-59.6134171.4-74.7-177.4-126.300111.7R67 H70R67-E73 HydrophobicContact CB-CB 4.45Å; R67-E73 WeakPolarHBondContact CB-OE2 3.22Å; R67-E73 VanDerWaalsContact CD-OE2 3.29Å; R67-E73 WeakPolarHBondContact CD-OE2 3.41Å; H70-E73 HydrophobicContact CB-CG 4.19Å; H70-E73 VanDerWaalsContact CB-OE1 3.3Å; H70-E73 WeakPolarHBondContact CB-OE1 3.29Å; H70-E73 IonicContact CG-OE1 3.48Å; H70-E73 PolarHBondContact N-OE1 3.04Å; H70-E73 IonicContact ND1-OE1 3.87Å; H70-E73 PolarHBondContact ND1-OE1 3.44Å; H70-E73 PolarHBondContact O-N 3.34Å
74T86.3Confident85.6Confident71 Ų7152.1 Ų52.144%0.43625%0.249SC..PPolyproline II helixtrans-79.8128.9-177.3-66.50000110.6G72 V76 L102 W105G72-T74 PolarHBondContact O-N 3.14Å; T74-V76 PolarHBondContact O-N 3.42Å; T74-L102 HydrophobicContact CG2-CB 3.57Å; T74-L102 HydrophobicContact CG2-CD1 4.42Å; T74-L102 HydrophobicContact CG2-CD2 3.97Å; T74-L102 HydrophobicContact CG2-CG 4.18Å; T74-L102 WeakPolarHBondContact CG2-O 3.18Å; T74-L102 PolarHBondContact OG1-O 3.36Å; T74-W105 HydrophobicContact CG2-CB 4.32Å
75P91Very high85.6Confident2 Ų252.3 Ų52.31%0.01325%0.25CS..PPolyproline II helixtrans-56.1130.9173.7-2835.2000112I64 I65 I66 L102 W105 I114I64-P75 HydrophobicContact CG2-CB 4.36Å; I65-P75 CarbonylContact O-C 3.54Å; I65-P75 WeakPolarHBondContact O-CA 3.39Å; I66-P75 HydrophobicContact CG1-CB 4.12Å; I66-P75 HydrophobicContact CG1-CG 4.21Å; P75-L102 HydrophobicContact CB-CD2 4.47Å; P75-W105 VanDerWaalsContact CD-NE1 3.31Å; P75-W105 HydrophobicContact CG-CD2 4.14Å; P75-W105 HydrophobicContact CG-CG 4.47Å; P75-W105 HydrophobicContact CG-CZ2 3.86Å; P75-I114 HydrophobicContact CB-CD1 3.98Å; P75-I114 HydrophobicContact CG-CD1 3.97Å
76V92.1Very high85.7Confident55 Ų5551.1 Ų51.133%0.33324%0.244SC..EExtended strand (participates in β ladder)trans-81.3122.7171.9-179.80000107.6I64 I65 T74 R78I64-V76 WeakPolarHBondContact CA-O 3.2Å; I65-V76 HydrophobicContact CB-CB 4.39Å; I65-V76 PolarHBondContact N-O 3.38Å; I65-V76 PolarHBondContact O-N 3.24Å; T74-V76 PolarHBondContact O-N 3.42Å; V76-R78 HydrophobicContact CG1-CG 4.33Å
77V96Very high86Confident9 Ų951.2 Ų51.26%0.05525%0.245CC..EExtended strand (participates in β ladder)trans-116.6126.3178.4-173.80000108.6F62 E63 I64 V97 L99 L102 I114 L118F62-V77 HydrophobicContact CD1-CG1 4.41Å; E63-V77 CarbonylContact O-C 3.56Å; E63-V77 WeakPolarHBondContact O-CA 3.28Å; I64-V77 HydrophobicContact CG1-CG1 4.23Å; I64-V77 HydrophobicContact CG1-CG2 4.32Å; V77-V97 HydrophobicContact CB-CB 4.44Å; V77-V97 HydrophobicContact CG1-CB 4.26Å; V77-V97 HydrophobicContact CG1-CG2 4.03Å; V77-L99 HydrophobicContact CG1-CD1 4.42Å; V77-L99 HydrophobicContact CG2-CD1 4.35Å; V77-L102 HydrophobicContact CG2-CD1 3.98Å; V77-I114 HydrophobicContact CG2-CG2 3.74Å; V77-L118 HydrophobicContact CG1-CD1 4.32Å; V77-L118 HydrophobicContact CG1-CD2 4.11Å
78R96.4Very high86.4Confident104 Ų10445.9 Ų45.939%0.39223%0.225SC..EExtended strand (participates in β ladder)trans-124.9142.4178.2-63.1-178.3-177.7-84.60.5111.2F62 E63 V76 M80 G94 G95F62-R78 CarbonylContact C-O 3.6Å; F62-R78 WeakPolarHBondContact CA-O 3.49Å; F62-R78 WeakPolarHBondContact CD1-O 3.23Å; E63-R78 PolarHBondContact N-O 3.48Å; E63-R78 PolarHBondContact O-N 3.24Å; V76-R78 HydrophobicContact CG1-CG 4.33Å; R78-M80 HydrophobicContact CB-SD 4.12Å; R78-G94 PolarHBondContact NH1-O 2.83Å; R78-G95 CarbonylContact C-O 3.53Å; R78-G95 VanDerWaalsContact CA-O 3.26Å; R78-G95 WeakPolarHBondContact CA-O 3.37Å
79C96.9Very high87.1Confident1 Ų147 Ų471%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-81.1130.6162.7-160.60000109.6F62 S81 I88 G95F62-C79 HydrophobicContact CD1-CB 4.04Å; F62-C79 HydrophobicContact CE1-CB 3.7Å; F62-C79 HydrophobicContact CZ-CB 4.36Å; C79-S81 PolarHBondContact SG-O 3.42Å; C79-I88 HydrophobicContact CB-CG2 3.74Å; C79-G95 PolarHBondContact N-O 3.03Å
80M95.8Very high88.2Confident55 Ų5541.6 Ų41.627%0.27121%0.205SC..  trans-108.832.3179.9-54.5-56.7-72.800110.4E61 E63 R78 Y91E61-M80 HydrophobicContact CB-CB 4.21Å; E61-M80 PolarHBondContact O-N 3.43Å; E63-M80 HydrophobicContact CB-CG 3.67Å; E63-M80 HydrophobicContact CB-SD 3.93Å; R78-M80 HydrophobicContact CB-SD 4.12Å; M80-Y91 HydrophobicContact CE-CE2 3.89Å; M80-Y91 HydrophobicContact SD-CE2 4.21Å
81S95.1Very high89.5Confident26 Ų2641.1 Ų41.118%0.18220%0.199CC..SBendtrans-153.2144.7-173.9-66.80000109.2E61 C79 I83E61-S81 PolarHBondContact N-OG 2.79Å; C79-S81 PolarHBondContact SG-O 3.42Å; S81-I83 PolarHBondContact O-N 2.9Å
82H94.7Very high91Very high46 Ų4636.2 Ų36.221%0.21319%0.187CC..  trans-64.4135.1173.5-60.5-75000110.6D90 D92 Y159H82-D90 WeakPolarHBondContact CA-OD1 3.47Å; H82-D90 WeakPolarHBondContact CB-OD1 3.25Å; H82-D90 IonicContact CE1-OD2 2.66Å; H82-D90 IonicContact CG-OD1 3.44Å; H82-D90 IonicContact CG-OD2 3.22Å; H82-D90 IonicContact ND1-OD1 3.45Å; H82-D90 IonicContact ND1-OD2 3.64Å; H82-D90 PolarHBondContact ND1-OD2 3.31Å; H82-D92 IonicContact CE1-OD1 2.89Å; H82-D92 PolarHBondContact CE1-OD1 2.95Å; H82-D92 IonicContact CE1-OD2 2.68Å; H82-D92 PolarHBondContact CE1-OD2 3.44Å; H82-Y159 HydrophobicContact CB-CE2 4.17Å
83I94.7Very high92.2Very high4 Ų439 Ų392%0.02119%0.193CC..  trans-152.7131.8-176.8-173.1175.5000111.4Y60 S81 H85 I88 D90 F122Y60-I83 HydrophobicContact CD1-CB 4.14Å; Y60-I83 HydrophobicContact CD1-CD1 4.1Å; Y60-I83 HydrophobicContact CD1-CG1 4.26Å; Y60-I83 HydrophobicContact CE1-CB 3.83Å; Y60-I83 HydrophobicContact CE1-CD1 3.9Å; Y60-I83 HydrophobicContact CE1-CG1 3.71Å; S81-I83 PolarHBondContact O-N 2.9Å; I83-H85 HydrophobicContact CD1-CB 3.69Å; I83-H85 HydrophobicContact CG1-CB 3.71Å; I83-I88 HydrophobicContact CD1-CD1 4Å; I83-I88 HydrophobicContact CD1-CG2 4.48Å; I83-I88 HydrophobicContact CG2-CB 4.36Å; I83-I88 HydrophobicContact CG2-CG2 3.68Å; I83-D90 PolarHBondContact N-OD1 3.35Å; I83-F122 HydrophobicContact CD1-CE1 3.55Å; I83-F122 HydrophobicContact CD1-CZ 3.98Å
84Y94.5Very high92.9Very high10 Ų1037.6 Ų37.64%0.03919%0.193CC..  trans-97.798.2167.4179.1-98.6000108.9Y55 F135 I136 I137 F143 A146 V147 S150 H156 Y159Y55-Y84 WeakPolarHBondContact CE1-O 3.19Å; Y55-Y84 PolarHBondContact OH-O 3.42Å; Y84-F135 HydrophobicContact CD1-CE2 4.46Å; Y84-F135 AromaticContact CD2-CE2 3.98Å; Y84-F135 HydrophobicContact CD2-CE2 3.98Å; Y84-F135 HydrophobicContact CE1-CE2 4.12Å; Y84-F135 AromaticContact CE1-CZ 3.88Å; Y84-F135 HydrophobicContact CE1-CZ 3.88Å; Y84-F135 HydrophobicContact CE2-CD2 4.3Å; Y84-F135 AromaticContact CE2-CE2 3.6Å; Y84-F135 HydrophobicContact CE2-CE2 3.6Å; Y84-F135 HydrophobicContact CE2-CZ 4.03Å; Y84-F135 HydrophobicContact CG-CE2 4.39Å; Y84-F135 AromaticContact CZ-CE2 3.66Å; Y84-F135 AromaticContact CZ-CZ 3.58Å; Y84-I136 PolarHBondContact OH-O 2.84Å; Y84-I137 WeakPolarHBondContact OH-CA 3.32Å; Y84-F143 HydrophobicContact CD1-CE2 4.32Å; Y84-F143 AromaticContact CE1-CD2 3.95Å; Y84-F143 HydrophobicContact CE1-CD2 3.95Å; Y84-F143 AromaticContact CE1-CE2 3.85Å; Y84-F143 HydrophobicContact CE1-CE2 3.85Å; Y84-A146 HydrophobicContact CD1-CB 4.43Å; Y84-A146 HydrophobicContact CE1-CB 3.62Å; Y84-V147 HydrophobicContact CD1-CG2 3.97Å; Y84-V147 HydrophobicContact CE1-CG2 4.33Å; Y84-S150 VanDerWaalsContact CB-CB 3.49Å; Y84-S150 WeakPolarHBondContact CB-OG 3.39Å; Y84-H156 AromaticContact CD2-CD2 3.87Å; Y84-H156 AromaticContact CE2-CD2 3.86Å; Y84-Y159 HydrophobicContact CD2-CD1 4.45Å; Y84-Y159 HydrophobicContact CD2-CG 4.11Å
85H95.2Very high93.2Very high4 Ų434.2 Ų34.22%0.01917%0.173CC..BIsolated β-bridgetrans-151.3137.2-175.5178.1-78.9000110.4Y55 I83 N87 I88 L121Y55-H85 AromaticContact CE2-CD2 3.64Å; Y55-H85 AromaticContact CZ-CD2 3.7Å; Y55-H85 WeakPolarHBondContact OH-CA 3.42Å; I83-H85 HydrophobicContact CD1-CB 3.69Å; I83-H85 HydrophobicContact CG1-CB 3.71Å; H85-N87 PolarHBondContact ND1-N 2.88Å; H85-N87 PolarHBondContact O-N 3.42Å; H85-I88 HydrophobicContact CB-CB 4.23Å; H85-I88 WeakPolarHBondContact ND1-CG1 3.33Å; H85-I88 PolarHBondContact ND1-N 2.83Å; H85-I88 PolarHBondContact O-N 3.47Å; H85-L121 PolarHBondContact NE2-O 3.09Å; H85-L121 VanDerWaalsContact NE2-O 3.1Å
86P94.2Very high93.3Very high1 Ų135.7 Ų35.71%0.00619%0.185CC..THydrogen-bonded Turntrans-62.9-38.5-171.621.2-31.7000113.6P125 N126 P130 I131 F135 F143P86-P125 HydrophobicContact CG-CB 3.89Å; P86-N126 WeakPolarHBondContact CB-O 3.2Å; P86-P130 HydrophobicContact CB-CB 4.18Å; P86-P130 CarbonylContact O-C 3.56Å; P86-P130 WeakPolarHBondContact O-CA 3.34Å; P86-P130 WeakPolarHBondContact O-CB 3.49Å; P86-I131 PolarHBondContact O-N 2.78Å; P86-F135 HydrophobicContact CB-CD1 4.01Å; P86-F135 HydrophobicContact CB-CE1 3.75Å; P86-F135 HydrophobicContact CB-CE2 4.43Å; P86-F135 HydrophobicContact CB-CG 4.47Å; P86-F135 HydrophobicContact CB-CZ 3.98Å; P86-F135 HydrophobicContact CG-CZ 4.46Å; P86-F143 HydrophobicContact CG-CZ 4.37Å
87N95.1Very high93.5Very high7 Ų733.7 Ų33.74%0.03717%0.173CC..THydrogen-bonded Turntrans-105.116-173.1-30.5103.3000113.8H85 C98 L121 N126 D129H85-N87 PolarHBondContact ND1-N 2.88Å; H85-N87 PolarHBondContact O-N 3.42Å; N87-C98 HydrophobicContact CB-CB 4.17Å; N87-C98 PolarHBondContact O-N 3.31Å; N87-L121 HydrophobicContact CB-CD2 4.29Å; N87-N126 PolarHBondContact ND2-O 3.26Å; N87-N126 PolarHBondContact OD1-N 3.39Å; N87-D129 PolarHBondContact ND2-O 2.71Å
88I95.3Very high93.3Very high3 Ų335.5 Ų35.52%0.01519%0.185CC..BIsolated β-bridgetrans-136.8122.2176.8-59.3171.1000107.4F62 C79 I83 H85 A96 V97 L121F62-I88 HydrophobicContact CE1-CD1 4.33Å; F62-I88 HydrophobicContact CZ-CD1 4.15Å; C79-I88 HydrophobicContact CB-CG2 3.74Å; I83-I88 HydrophobicContact CD1-CD1 4Å; I83-I88 HydrophobicContact CD1-CG2 4.48Å; I83-I88 HydrophobicContact CG2-CB 4.36Å; I83-I88 HydrophobicContact CG2-CG2 3.68Å; H85-I88 HydrophobicContact CB-CB 4.23Å; H85-I88 WeakPolarHBondContact ND1-CG1 3.33Å; H85-I88 PolarHBondContact ND1-N 2.83Å; H85-I88 PolarHBondContact O-N 3.47Å; I88-A96 WeakPolarHBondContact CA-O 3.46Å; I88-V97 HydrophobicContact CG1-CG1 4.06Å; I88-V97 HydrophobicContact CG2-CG2 4.3Å; I88-L121 HydrophobicContact CD1-CB 4.47Å; I88-L121 HydrophobicContact CD1-CD1 4.06Å; I88-L121 HydrophobicContact CG1-CD1 4.01Å
89E92.5Very high92.9Very high43 Ų4331 Ų3120%0.20117%0.169CC..  trans-69.1152.4174.9-62.7177152.800111.4A96 I131E89-A96 HydrophobicContact CG-CB 4.2Å; E89-A96 PolarHBondContact N-O 3.4Å; E89-A96 WeakPolarHBondContact OE2-CB 3.47Å; E89-A96 PolarHBondContact OE2-N 3.28Å; E89-I131 HydrophobicContact CG-CD1 4.22Å; E89-I131 HydrophobicContact CG-CG1 4.46Å; E89-I131 HydrophobicContact CG-CG2 3.75Å
90D91.2Very high92.4Very high12 Ų1236.8 Ų36.86%0.06420%0.2CC..  trans-64.9150.4168.6-164.373000111.3H82 I83 D92 I93 G94 G95 Y159H82-D90 WeakPolarHBondContact CA-OD1 3.47Å; H82-D90 WeakPolarHBondContact CB-OD1 3.25Å; H82-D90 IonicContact CE1-OD2 2.66Å; H82-D90 IonicContact CG-OD1 3.44Å; H82-D90 IonicContact CG-OD2 3.22Å; H82-D90 IonicContact ND1-OD1 3.45Å; H82-D90 IonicContact ND1-OD2 3.64Å; H82-D90 PolarHBondContact ND1-OD2 3.31Å; I83-D90 PolarHBondContact N-OD1 3.35Å; D90-D92 VanDerWaalsContact C-N 3.25Å; D90-D92 PolarHBondContact O-N 2.94Å; D90-D92 PolarHBondContact OD2-N 3.44Å; D90-I93 PolarHBondContact O-N 3.26Å; D90-I93 VanDerWaalsContact O-N 3.08Å; D90-G94 PolarHBondContact O-N 3.43Å; D90-G95 PolarHBondContact O-N 3.23Å; D90-Y159 HydrophobicContact CB-CD2 4.39Å; D90-Y159 WeakPolarHBondContact OD1-CD2 3.49Å; D90-Y159 VanDerWaalsContact OD1-CE2 3.25Å; D90-Y159 WeakPolarHBondContact OD1-CE2 3.26Å
91Y90.6Very high92Very high110 Ų11036 Ų3643%0.43120%0.196SC..THydrogen-bonded Turntrans-52.6-40.5179.1174.8-108.3000113.1M80 I93 G94M80-Y91 HydrophobicContact CE-CE2 3.89Å; M80-Y91 HydrophobicContact SD-CE2 4.21Å; Y91-I93 PolarHBondContact O-N 3.17Å; Y91-G94 PolarHBondContact O-N 3.26Å
92D88.3Confident91.6Very high106 Ų10635.5 Ų35.557%0.56719%0.192SC*.THydrogen-bonded Turntrans-67.4-19-177.7-73.4-11.6000113.7H82 D90H82-D92 IonicContact CE1-OD1 2.89Å; H82-D92 PolarHBondContact CE1-OD1 2.95Å; H82-D92 IonicContact CE1-OD2 2.68Å; H82-D92 PolarHBondContact CE1-OD2 3.44Å; D90-D92 VanDerWaalsContact C-N 3.25Å; D90-D92 PolarHBondContact O-N 2.94Å; D90-D92 PolarHBondContact OD2-N 3.44Å
93I86.6Confident91.1Very high94 Ų9439 Ų3948%0.48221%0.212SC..THydrogen-bonded Turntrans-89.7-31.6178.6-58.2176.8000110.9D90 Y91D90-I93 PolarHBondContact O-N 3.26Å; D90-I93 VanDerWaalsContact O-N 3.08Å; Y91-I93 PolarHBondContact O-N 3.17Å
94G88.7Confident90.6Very high27 Ų2745.5 Ų45.528%0.27825%0.247SC..THydrogen-bonded Turntrans147.2-10.9-177.700000114.6R78 D90 Y91 A96R78-G94 PolarHBondContact NH1-O 2.83Å; D90-G94 PolarHBondContact O-N 3.43Å; Y91-G94 PolarHBondContact O-N 3.26Å; G94-A96 PolarHBondContact O-N 3.28Å
95G92.8Very high90.1Very high0 Ų046 Ų460%025%0.249CC..  trans67.923.1173.600000115.4R78 C79 D90R78-G95 CarbonylContact C-O 3.53Å; R78-G95 VanDerWaalsContact CA-O 3.26Å; R78-G95 WeakPolarHBondContact CA-O 3.37Å; C79-G95 PolarHBondContact N-O 3.03Å; D90-G95 PolarHBondContact O-N 3.23Å
96A93.7Very high89.5Confident32 Ų3249.4 Ų49.426%0.26427%0.267SS..BIsolated β-bridgetrans-62.9145.7-178.300000112.7I88 E89 G94 I131I88-A96 WeakPolarHBondContact CA-O 3.46Å; E89-A96 HydrophobicContact CG-CB 4.2Å; E89-A96 PolarHBondContact N-O 3.4Å; E89-A96 WeakPolarHBondContact OE2-CB 3.47Å; E89-A96 PolarHBondContact OE2-N 3.28Å; G94-A96 PolarHBondContact O-N 3.28Å; A96-I131 HydrophobicContact CB-CD1 3.81Å
97V95.2Very high88.9Confident14 Ų1450.2 Ų50.29%0.08527%0.271CS..BIsolated β-bridgetrans-120.1116.6-175.3-173.50000109.7F62 V77 I88 L99 L118 L121F62-V97 HydrophobicContact CD1-CG2 4.09Å; F62-V97 HydrophobicContact CE1-CG2 3.89Å; V77-V97 HydrophobicContact CB-CB 4.44Å; V77-V97 HydrophobicContact CG1-CB 4.26Å; V77-V97 HydrophobicContact CG1-CG2 4.03Å; I88-V97 HydrophobicContact CG1-CG1 4.06Å; I88-V97 HydrophobicContact CG2-CG2 4.3Å; V97-L99 HydrophobicContact CG1-CD1 4.02Å; V97-L99 HydrophobicContact CG1-CD2 4.47Å; V97-L99 HydrophobicContact CG1-CG 3.75Å; V97-L99 PolarHBondContact O-N 3.4Å; V97-L99 VanDerWaalsContact O-N 3.07Å; V97-L118 HydrophobicContact CG1-CD2 3.7Å; V97-L121 HydrophobicContact CG1-CD1 3.68Å
98C91.4Very high88.3Confident47 Ų4753 Ų5332%0.31830%0.301SS..  trans-81.389.5178.1-170.20000110.9N87 I131N87-C98 HydrophobicContact CB-CB 4.17Å; N87-C98 PolarHBondContact O-N 3.31Å; C98-I131 HydrophobicContact CB-CB 4.23Å; C98-I131 HydrophobicContact CB-CD1 3.96Å; C98-I131 HydrophobicContact CB-CG1 4.23Å
99L89.1Confident87.7Confident8 Ų856.3 Ų56.34%0.04232%0.317CS..  trans-104.7105.5175.6-75.4171.3000110.7V77 V97 L101 L102 I114 G117 L118 L121V77-L99 HydrophobicContact CG1-CD1 4.42Å; V77-L99 HydrophobicContact CG2-CD1 4.35Å; V97-L99 HydrophobicContact CG1-CD1 4.02Å; V97-L99 HydrophobicContact CG1-CD2 4.47Å; V97-L99 HydrophobicContact CG1-CG 3.75Å; V97-L99 PolarHBondContact O-N 3.4Å; V97-L99 VanDerWaalsContact O-N 3.07Å; L99-L101 HydrophobicContact CB-CD2 4.41Å; L99-L101 HydrophobicContact CB-CG 4.23Å; L99-L101 HydrophobicContact CD2-CD2 4.23Å; L99-L101 PolarHBondContact O-N 3.48Å; L99-L102 HydrophobicContact CB-CD1 3.81Å; L99-L102 HydrophobicContact CB-CG 3.81Å; L99-L102 HydrophobicContact CD1-CD1 4.14Å; L99-L102 HydrophobicContact CD1-CG 4.48Å; L99-L102 VanDerWaalsContact O-CB 3.29Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.41Å; L99-I114 HydrophobicContact CD1-CG2 4.07Å; L99-G117 VanDerWaalsContact CD2-C 3.45Å; L99-G117 WeakPolarHBondContact CD2-O 3.42Å; L99-L118 HydrophobicContact CD1-CD2 4.08Å; L99-L118 HydrophobicContact CD1-CG 4.26Å; L99-L121 HydrophobicContact CD2-CD1 3.67Å; L99-L121 HydrophobicContact CD2-CG 4Å; L99-L121 HydrophobicContact CG-CD1 4.22Å
100N85.5Confident87.5Confident123 Ų12354.8 Ų54.866%0.65831%0.313SS*.G310 helixtrans-53.6-25.3178.8-78.9-41000114.8L102 N103N100-L102 PolarHBondContact O-N 3.13Å; N100-N103 PolarHBondContact O-N 3.27Å
101L86.8Confident87.5Confident38 Ų3854.4 Ų54.420%0.19931%0.311CS..G310 helixtrans-67.7-21175.473.895.4000113.8L99 W105 M109 A113 I114L99-L101 HydrophobicContact CB-CD2 4.41Å; L99-L101 HydrophobicContact CB-CG 4.23Å; L99-L101 HydrophobicContact CD2-CD2 4.23Å; L99-L101 PolarHBondContact O-N 3.48Å; L101-W105 HydrophobicContact CD1-CE3 3.88Å; L101-W105 HydrophobicContact CD1-CZ3 3.85Å; L101-M109 HydrophobicContact CB-CE 3.92Å; L101-M109 HydrophobicContact CD1-CE 4.33Å; L101-A113 WeakPolarHBondContact CD2-O 3.5Å; L101-I114 HydrophobicContact CD1-CG1 4.37Å
102L87.2Confident87.6Confident16 Ų1653.2 Ų53.28%0.08431%0.308CS..G310 helixtrans-79.1-24.6-179.8-67.5-177.8000112.7T74 P75 V77 L99 N100 N104 W105T74-L102 HydrophobicContact CG2-CB 3.57Å; T74-L102 HydrophobicContact CG2-CD1 4.42Å; T74-L102 HydrophobicContact CG2-CD2 3.97Å; T74-L102 HydrophobicContact CG2-CG 4.18Å; T74-L102 WeakPolarHBondContact CG2-O 3.18Å; T74-L102 PolarHBondContact OG1-O 3.36Å; P75-L102 HydrophobicContact CB-CD2 4.47Å; V77-L102 HydrophobicContact CG2-CD1 3.98Å; L99-L102 HydrophobicContact CB-CD1 3.81Å; L99-L102 HydrophobicContact CB-CG 3.81Å; L99-L102 HydrophobicContact CD1-CD1 4.14Å; L99-L102 HydrophobicContact CD1-CG 4.48Å; L99-L102 VanDerWaalsContact O-CB 3.29Å; L99-L102 WeakPolarHBondContact O-CB 3.49Å; L99-L102 PolarHBondContact O-N 3.41Å; N100-L102 PolarHBondContact O-N 3.13Å; L102-N104 VanDerWaalsContact C-N 3.27Å; L102-N104 PolarHBondContact O-N 3.43Å; L102-W105 HydrophobicContact CD2-CE3 4.18Å; L102-W105 WeakPolarHBondContact O-CB 3.46Å; L102-W105 PolarHBondContact O-N 2.88Å
103N85.2Confident87.8Confident120 Ų12049.5 Ų49.564%0.64229%0.292SS*.THydrogen-bonded Turntrans-66.5-25.9-179.6-67.1-21.8000113.5N100N100-N103 PolarHBondContact O-N 3.27Å
104N83.3Confident88.2Confident141 Ų14145 Ų4575%0.75427%0.269SS*.THydrogen-bonded Turntrans-124.837.3173.5-70.9-70.9000110.5L102 N106L102-N104 VanDerWaalsContact C-N 3.27Å; L102-N104 PolarHBondContact O-N 3.43Å; N104-N106 PolarHBondContact O-N 3.15Å
105W84.5Confident88.6Confident21 Ų2143.8 Ų43.88%0.0826%0.256CS..  trans-57.2137.1-175.6178.2-106.3000111.9T74 P75 L101 L102 M109 L111 I114T74-W105 HydrophobicContact CG2-CB 4.32Å; P75-W105 VanDerWaalsContact CD-NE1 3.31Å; P75-W105 HydrophobicContact CG-CD2 4.14Å; P75-W105 HydrophobicContact CG-CG 4.47Å; P75-W105 HydrophobicContact CG-CZ2 3.86Å; L101-W105 HydrophobicContact CD1-CE3 3.88Å; L101-W105 HydrophobicContact CD1-CZ3 3.85Å; L102-W105 HydrophobicContact CD2-CE3 4.18Å; L102-W105 WeakPolarHBondContact O-CB 3.46Å; L102-W105 PolarHBondContact O-N 2.88Å; W105-M109 HydrophobicContact CE3-CB 4.45Å; W105-M109 HydrophobicContact CE3-CE 4.45Å; W105-M109 HydrophobicContact CE3-SD 4.14Å; W105-M109 HydrophobicContact CH2-CB 4.44Å; W105-M109 HydrophobicContact CZ3-CB 4.04Å; W105-L111 HydrophobicContact CH2-CD2 4.48Å; W105-L111 HydrophobicContact CZ2-CD2 4.3Å; W105-I114 HydrophobicContact CH2-CD1 3.79Å; W105-I114 HydrophobicContact CH2-CG1 3.72Å; W105-I114 HydrophobicContact CZ2-CD1 4.33Å; W105-I114 HydrophobicContact CZ3-CD1 4.17Å; W105-I114 HydrophobicContact CZ3-CG1 3.69Å
106N83.1Confident88.6Confident75 Ų7547.5 Ų47.540%0.40128%0.276SS..  trans-142.9148.5161.765.589000109.8N104 G108 M109N104-N106 PolarHBondContact O-N 3.15Å; N106-G108 PolarHBondContact O-N 2.96Å; N106-G108 WeakPolarHBondContact OD1-CA 3.23Å; N106-G108 PolarHBondContact OD1-N 3.49Å; N106-M109 WeakPolarHBondContact ND2-CG 3.4Å; N106-M109 PolarHBondContact ND2-SD 3.16Å; N106-M109 VanDerWaalsContact ND2-SD 3.36Å; N106-M109 WeakPolarHBondContact O-CB 3.49Å; N106-M109 PolarHBondContact O-N 3.43Å; N106-M109 PolarHBondContact OD1-N 3Å
107I81.8Confident88.7Confident17 Ų1746.5 Ų46.59%0.08727%0.269CS..G310 helixtrans-61-20.3-177.6-59.4157.9000111.6M1 V4 Q8 M109 G110M1-I107 HydrophobicContact CE-CD1 3.65Å; M1-I107 HydrophobicContact CG-CD1 3.82Å; M1-I107 HydrophobicContact SD-CD1 3.52Å; M1-I107 VanDerWaalsContact SD-CD1 3.52Å; V4-I107 HydrophobicContact CG1-CG2 3.71Å; Q8-I107 PolarHBondContact NE2-O 3.01Å; I107-M109 VanDerWaalsContact C-N 3.26Å; I107-M109 PolarHBondContact O-N 2.79Å; I107-G110 PolarHBondContact O-N 3.37Å
108G80.7Confident88.8Confident65 Ų6545.9 Ų45.967%0.6727%0.265SS*.G310 helixtrans-69.4-14.8173.200000115.2N106N106-G108 PolarHBondContact O-N 2.96Å; N106-G108 WeakPolarHBondContact OD1-CA 3.23Å; N106-G108 PolarHBondContact OD1-N 3.49Å
109M84.6Confident89Confident73 Ų7344.2 Ų44.236%0.3625%0.253SS..G310 helixtrans-74.7-32.1171.3-64.3167.270.800111.8L101 W105 N106 I107 A113L101-M109 HydrophobicContact CB-CE 3.92Å; L101-M109 HydrophobicContact CD1-CE 4.33Å; W105-M109 HydrophobicContact CE3-CB 4.45Å; W105-M109 HydrophobicContact CE3-CE 4.45Å; W105-M109 HydrophobicContact CE3-SD 4.14Å; W105-M109 HydrophobicContact CH2-CB 4.44Å; W105-M109 HydrophobicContact CZ3-CB 4.04Å; N106-M109 WeakPolarHBondContact ND2-CG 3.4Å; N106-M109 PolarHBondContact ND2-SD 3.16Å; N106-M109 VanDerWaalsContact ND2-SD 3.36Å; N106-M109 WeakPolarHBondContact O-CB 3.49Å; N106-M109 PolarHBondContact O-N 3.43Å; N106-M109 PolarHBondContact OD1-N 3Å; I107-M109 VanDerWaalsContact C-N 3.26Å; I107-M109 PolarHBondContact O-N 2.79Å; M109-A113 HydrophobicContact CB-CB 4.19Å
110G87.7Confident89.3Confident11 Ų1149.6 Ų49.611%0.11328%0.276CS..  trans77.5151.3177.300000114.5I107 K112 A113I107-G110 PolarHBondContact O-N 3.37Å; G110-K112 PolarHBondContact O-N 3.48Å; G110-K112 VanDerWaalsContact O-N 3.13Å; G110-A113 VanDerWaalsContact O-CB 3.27Å; G110-A113 WeakPolarHBondContact O-CB 3.29Å; G110-A113 PolarHBondContact O-N 3.34Å
111L91.5Very high89.8Confident4 Ų444.4 Ų44.42%0.02125%0.249CC..Hα-helixtrans-59-30.4-173.6-52.3-172.8000113.6V5 Q8 L9 L12 F44 I66 W105 A113 I114 I115V5-L111 HydrophobicContact CG1-CD1 4.33Å; Q8-L111 HydrophobicContact CB-CD1 4.15Å; Q8-L111 HydrophobicContact CB-CG 3.91Å; L9-L111 HydrophobicContact CB-CD1 4.07Å; L12-L111 HydrophobicContact CD2-CB 4.07Å; F44-L111 HydrophobicContact CE1-CD1 4Å; F44-L111 HydrophobicContact CZ-CD1 4.03Å; I66-L111 HydrophobicContact CD1-CD1 3.95Å; I66-L111 HydrophobicContact CD1-CD2 3.44Å; I66-L111 VanDerWaalsContact CD1-CD2 3.44Å; I66-L111 HydrophobicContact CD1-CG 4.35Å; W105-L111 HydrophobicContact CH2-CD2 4.48Å; W105-L111 HydrophobicContact CZ2-CD2 4.3Å; L111-A113 PolarHBondContact O-N 2.92Å; L111-I114 HydrophobicContact CD2-CD1 4.24Å; L111-I114 WeakPolarHBondContact O-CB 3.39Å; L111-I114 PolarHBondContact O-N 3.28Å; L111-I115 PolarHBondContact O-N 3.16Å
112K92.1Very high90.2Very high86 Ų8642.7 Ų42.737%0.37424%0.239SC..Hα-helixtrans-54.8-31.8171.7179.8176.8169.8-178.70113.4L12 E19 G110 I114 I115 N116L12-K112 HydrophobicContact CD1-CB 4.15Å; E19-K112 IonicContact OE1-NZ 3.59Å; E19-K112 PolarHBondContact OE1-NZ 2.86Å; E19-K112 WeakPolarHBondContact OE2-CD 3.5Å; E19-K112 WeakPolarHBondContact OE2-CE 3.37Å; E19-K112 IonicContact OE2-NZ 3.43Å; E19-K112 PolarHBondContact OE2-NZ 3.03Å; G110-K112 PolarHBondContact O-N 3.48Å; G110-K112 VanDerWaalsContact O-N 3.13Å; K112-I114 VanDerWaalsContact C-N 3.28Å; K112-I114 PolarHBondContact O-N 3.1Å; K112-I115 PolarHBondContact O-N 3.38Å; K112-N116 PolarHBondContact O-N 3.25Å; K112-N116 PolarHBondContact O-OD1 2.96Å
113A92.9Very high90.6Very high27 Ų2746 Ų4622%0.22325%0.251CS..Hα-helixtrans-65-32.917600000112.3L101 M109 G110 L111 G117L101-A113 WeakPolarHBondContact CD2-O 3.5Å; M109-A113 HydrophobicContact CB-CB 4.19Å; G110-A113 VanDerWaalsContact O-CB 3.27Å; G110-A113 WeakPolarHBondContact O-CB 3.29Å; G110-A113 PolarHBondContact O-N 3.34Å; L111-A113 PolarHBondContact O-N 2.92Å; A113-G117 PolarHBondContact O-N 3.33Å
114I94.8Very high90.9Very high0 Ų046.3 Ų46.30%025%0.249CC..Hα-helixtrans-66.3-45.6174.9-48.8174.3000109.7I64 P75 V77 L99 L101 W105 L111 K112 N116 G117 L118I64-I114 HydrophobicContact CD1-CG2 3.96Å; I64-I114 HydrophobicContact CG2-CD1 4.18Å; P75-I114 HydrophobicContact CB-CD1 3.98Å; P75-I114 HydrophobicContact CG-CD1 3.97Å; V77-I114 HydrophobicContact CG2-CG2 3.74Å; L99-I114 HydrophobicContact CD1-CG2 4.07Å; L101-I114 HydrophobicContact CD1-CG1 4.37Å; W105-I114 HydrophobicContact CH2-CD1 3.79Å; W105-I114 HydrophobicContact CH2-CG1 3.72Å; W105-I114 HydrophobicContact CZ2-CD1 4.33Å; W105-I114 HydrophobicContact CZ3-CD1 4.17Å; W105-I114 HydrophobicContact CZ3-CG1 3.69Å; L111-I114 HydrophobicContact CD2-CD1 4.24Å; L111-I114 WeakPolarHBondContact O-CB 3.39Å; L111-I114 PolarHBondContact O-N 3.28Å; K112-I114 VanDerWaalsContact C-N 3.28Å; K112-I114 PolarHBondContact O-N 3.1Å; I114-N116 PolarHBondContact O-N 3.3Å; I114-G117 PolarHBondContact O-N 3.17Å; I114-G117 VanDerWaalsContact O-N 3.15Å; I114-L118 WeakPolarHBondContact O-CG 3.21Å; I114-L118 PolarHBondContact O-N 2.87Å
115I95.7Very high91.4Very high1 Ų140.8 Ų40.81%0.00522%0.221CC..Hα-helixtrans-62.7-45.2180-49.3-45.6000111.2L12 I16 A24 V46 I48 I64 L111 K112 G117 L118 L119L12-I115 HydrophobicContact CD1-CG1 4.04Å; L12-I115 HydrophobicContact CD2-CD1 4.28Å; L12-I115 HydrophobicContact CD2-CG1 3.98Å; I16-I115 HydrophobicContact CD1-CD1 4.45Å; I16-I115 HydrophobicContact CD1-CG1 4.06Å; I16-I115 HydrophobicContact CD1-CG2 3.92Å; I16-I115 HydrophobicContact CG1-CG2 4.18Å; A24-I115 HydrophobicContact CB-CG2 3.58Å; V46-I115 HydrophobicContact CG1-CD1 4.22Å; V46-I115 HydrophobicContact CG2-CD1 3.8Å; I48-I115 HydrophobicContact CD1-CG2 4.11Å; I64-I115 HydrophobicContact CD1-CD1 3.82Å; L111-I115 PolarHBondContact O-N 3.16Å; K112-I115 PolarHBondContact O-N 3.38Å; I115-G117 VanDerWaalsContact C-N 3.28Å; I115-G117 PolarHBondContact O-N 2.85Å; I115-L118 PolarHBondContact O-N 3.23Å; I115-L119 PolarHBondContact O-N 3.39Å
116N94.5Very high91.7Very high79 Ų7943 Ų4342%0.42223%0.234SC..Hα-helixtrans-65.3-33.4175.9-72.111.5000111.9K112 I114 F120K112-N116 PolarHBondContact O-N 3.25Å; K112-N116 PolarHBondContact O-OD1 2.96Å; I114-N116 PolarHBondContact O-N 3.3Å; N116-F120 WeakPolarHBondContact O-CB 3.44Å; N116-F120 PolarHBondContact O-N 3.05Å
117G94.8Very high91.9Very high11 Ų1143.5 Ų43.511%0.11323%0.234CC..Hα-helixtrans-66.2-41.9172.500000113.1L99 A113 I114 I115 F120 L121L99-G117 VanDerWaalsContact CD2-C 3.45Å; L99-G117 WeakPolarHBondContact CD2-O 3.42Å; A113-G117 PolarHBondContact O-N 3.33Å; I114-G117 PolarHBondContact O-N 3.17Å; I114-G117 VanDerWaalsContact O-N 3.15Å; I115-G117 VanDerWaalsContact C-N 3.28Å; I115-G117 PolarHBondContact O-N 2.85Å; G117-F120 WeakPolarHBondContact O-CB 3.42Å; G117-F120 PolarHBondContact O-N 3.02Å; G117-L121 PolarHBondContact O-N 2.83Å; G117-L121 VanDerWaalsContact O-N 3.15Å
118L96.9Very high92.1Very high0 Ų050.6 Ų50.60%027%0.267CS..Hα-helixtrans-61.5-46.9174.1-73.3173.1000111.5I48 F62 V77 V97 L99 I114 I115 F120 L121 F122I48-L118 HydrophobicContact CD1-CB 4.44Å; I48-L118 HydrophobicContact CG1-CB 4.36Å; I48-L118 HydrophobicContact CG1-CD1 4.4Å; F62-L118 HydrophobicContact CB-CD1 4.15Å; F62-L118 HydrophobicContact CD1-CD1 4.19Å; F62-L118 HydrophobicContact CD1-CD2 3.71Å; F62-L118 HydrophobicContact CD2-CD1 4.32Å; F62-L118 HydrophobicContact CE1-CD2 3.6Å; F62-L118 HydrophobicContact CG-CD1 3.96Å; F62-L118 HydrophobicContact CG-CD2 4.26Å; F62-L118 HydrophobicContact CZ-CD2 4.05Å; V77-L118 HydrophobicContact CG1-CD1 4.32Å; V77-L118 HydrophobicContact CG1-CD2 4.11Å; V97-L118 HydrophobicContact CG1-CD2 3.7Å; L99-L118 HydrophobicContact CD1-CD2 4.08Å; L99-L118 HydrophobicContact CD1-CG 4.26Å; I114-L118 WeakPolarHBondContact O-CG 3.21Å; I114-L118 PolarHBondContact O-N 2.87Å; I115-L118 PolarHBondContact O-N 3.23Å; L118-F120 VanDerWaalsContact C-N 3.31Å; L118-F120 PolarHBondContact O-N 2.85Å; L118-L121 PolarHBondContact O-N 3.24Å; L118-F122 WeakPolarHBondContact O-CD2 3.47Å
119L96.1Very high92.4Very high12 Ų1252.7 Ų52.76%0.06326%0.263CS..Hα-helixtrans-59.7-40.5174.4-74.9166.9000112T20 Q23 I48 I115 L121 F122 Y123T20-L119 HydrophobicContact CG2-CD1 3.8Å; Q23-L119 HydrophobicContact CB-CD2 3.94Å; I48-L119 HydrophobicContact CG2-CD2 3.7Å; I48-L119 HydrophobicContact CG2-CG 4.36Å; I115-L119 PolarHBondContact O-N 3.39Å; L119-L121 PolarHBondContact O-N 3.02Å; L119-F122 PolarHBondContact O-N 3.21Å; L119-Y123 HydrophobicContact CB-CE2 4.36Å; L119-Y123 WeakPolarHBondContact O-CD2 3.12Å; L119-Y123 PolarHBondContact O-N 2.83Å
120F95.4Very high92.6Very high121 Ų12151.2 Ų51.253%0.53126%0.258SS..Hα-helixtrans-60.7-40.3177.9-179.9-95.6000113N116 G117 L118 F122 Y123 E124N116-F120 WeakPolarHBondContact O-CB 3.44Å; N116-F120 PolarHBondContact O-N 3.05Å; G117-F120 WeakPolarHBondContact O-CB 3.42Å; G117-F120 PolarHBondContact O-N 3.02Å; L118-F120 VanDerWaalsContact C-N 3.31Å; L118-F120 PolarHBondContact O-N 2.85Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.38Å; F120-Y123 PolarHBondContact O-N 3.3Å; F120-Y123 VanDerWaalsContact O-N 3.13Å; F120-E124 HydrophobicContact CD2-CG 4.46Å; F120-E124 HydrophobicContact CE1-CB 4.04Å; F120-E124 HydrophobicContact CE2-CB 4Å; F120-E124 HydrophobicContact CE2-CG 3.78Å; F120-E124 HydrophobicContact CZ-CB 3.68Å; F120-E124 HydrophobicContact CZ-CG 3.91Å; F120-E124 PolarHBondContact O-N 2.61Å
121L95.2Very high92.7Very high15 Ų1553.3 Ų53.38%0.07927%0.267CS..Hα-helixtrans-58.5-42.4176.4-69.2179.6000112.2H85 N87 I88 V97 L99 G117 L118 L119 Y123 E124H85-L121 PolarHBondContact NE2-O 3.09Å; H85-L121 VanDerWaalsContact NE2-O 3.1Å; N87-L121 HydrophobicContact CB-CD2 4.29Å; I88-L121 HydrophobicContact CD1-CB 4.47Å; I88-L121 HydrophobicContact CD1-CD1 4.06Å; I88-L121 HydrophobicContact CG1-CD1 4.01Å; V97-L121 HydrophobicContact CG1-CD1 3.68Å; L99-L121 HydrophobicContact CD2-CD1 3.67Å; L99-L121 HydrophobicContact CD2-CG 4Å; L99-L121 HydrophobicContact CG-CD1 4.22Å; G117-L121 PolarHBondContact O-N 2.83Å; G117-L121 VanDerWaalsContact O-N 3.15Å; L118-L121 PolarHBondContact O-N 3.24Å; L119-L121 PolarHBondContact O-N 3.02Å; L121-Y123 VanDerWaalsContact C-N 3.27Å; L121-Y123 PolarHBondContact O-N 2.91Å; L121-E124 CarbonylContact O-C 3.53Å
122F96.3Very high92.4Very high1 Ų154.6 Ų54.60%0.00427%0.274CS..Hα-helixtrans-67.4-23.8177.9-71-70.9000114.3I48 P50 Y55 Y60 F62 I83 L118 L119 F120I48-F122 HydrophobicContact CB-CE2 4.09Å; I48-F122 HydrophobicContact CG2-CD2 3.75Å; I48-F122 HydrophobicContact CG2-CE2 3.57Å; P50-F122 HydrophobicContact CB-CB 4.24Å; P50-F122 HydrophobicContact CG-CB 3.67Å; P50-F122 HydrophobicContact CG-CD1 3.94Å; P50-F122 HydrophobicContact CG-CD2 3.92Å; P50-F122 HydrophobicContact CG-CG 3.58Å; Y55-F122 HydrophobicContact CD1-CD1 4.46Å; Y55-F122 HydrophobicContact CD2-CB 4.49Å; Y55-F122 AromaticContact CD2-CD1 3.9Å; Y55-F122 HydrophobicContact CD2-CD1 3.9Å; Y55-F122 AromaticContact CG-CD1 3.78Å; Y55-F122 HydrophobicContact CG-CD1 3.78Å; Y55-F122 HydrophobicContact CG-CE1 4.42Å; Y60-F122 HydrophobicContact CD2-CD1 4.39Å; Y60-F122 AromaticContact CD2-CE1 3.38Å; Y60-F122 HydrophobicContact CD2-CE1 3.38Å; Y60-F122 HydrophobicContact CD2-CE2 4.41Å; Y60-F122 AromaticContact CD2-CZ 3.4Å; Y60-F122 HydrophobicContact CD2-CZ 3.4Å; Y60-F122 HydrophobicContact CE2-CD1 4.19Å; Y60-F122 AromaticContact CE2-CE1 3.39Å; Y60-F122 HydrophobicContact CE2-CE1 3.39Å; Y60-F122 AromaticContact CE2-CZ 3.94Å; Y60-F122 HydrophobicContact CE2-CZ 3.94Å; Y60-F122 HydrophobicContact CG-CE1 4.04Å; Y60-F122 AromaticContact CG-CZ 3.78Å; Y60-F122 HydrophobicContact CG-CZ 3.78Å; F62-F122 AromaticContact CE2-CE2 3.74Å; F62-F122 HydrophobicContact CE2-CE2 3.74Å; F62-F122 AromaticContact CE2-CZ 3.77Å; F62-F122 HydrophobicContact CE2-CZ 3.77Å; F62-F122 AromaticContact CZ-CE2 3.83Å; F62-F122 HydrophobicContact CZ-CE2 3.83Å; F62-F122 AromaticContact CZ-CZ 3.72Å; F62-F122 HydrophobicContact CZ-CZ 3.72Å; I83-F122 HydrophobicContact CD1-CE1 3.55Å; I83-F122 HydrophobicContact CD1-CZ 3.98Å; L118-F122 WeakPolarHBondContact O-CD2 3.47Å; L119-F122 PolarHBondContact O-N 3.21Å; F120-F122 VanDerWaalsContact C-N 3.32Å; F120-F122 PolarHBondContact O-N 3.38Å
123Y94.7Very high92Very high86 Ų8658.7 Ų58.734%0.33729%0.294SS..Hα-helixtrans-88.2-41.3176.8-64.3-48.6000112.6Q23 N51 E52 L119 F120 L121 P125Q23-Y123 PolarHBondContact NE2-OH 2.94Å; Q23-Y123 PolarHBondContact OE1-OH 2.6Å; N51-Y123 PolarHBondContact OD1-OH 2.91Å; E52-Y123 HydrophobicContact CB-CE1 4.24Å; L119-Y123 HydrophobicContact CB-CE2 4.36Å; L119-Y123 WeakPolarHBondContact O-CD2 3.12Å; L119-Y123 PolarHBondContact O-N 2.83Å; F120-Y123 PolarHBondContact O-N 3.3Å; F120-Y123 VanDerWaalsContact O-N 3.13Å; L121-Y123 VanDerWaalsContact C-N 3.27Å; L121-Y123 PolarHBondContact O-N 2.91Å; Y123-P125 WeakPolarHBondContact O-CD 3.44Å
124E92.7Very high91.6Very high127 Ų12762 Ų6259%0.59330%0.304SS*.SBendtrans-125.365.6-174.5-64.7-71.817300111.3F120 L121 N126F120-E124 HydrophobicContact CD2-CG 4.46Å; F120-E124 HydrophobicContact CE1-CB 4.04Å; F120-E124 HydrophobicContact CE2-CB 4Å; F120-E124 HydrophobicContact CE2-CG 3.78Å; F120-E124 HydrophobicContact CZ-CB 3.68Å; F120-E124 HydrophobicContact CZ-CG 3.91Å; F120-E124 PolarHBondContact O-N 2.61Å; L121-E124 CarbonylContact O-C 3.53Å; E124-N126 PolarHBondContact O-N 2.78Å
125P93Very high91.3Very high24 Ų2463.7 Ų63.716%0.15631%0.312CS..  trans-67.4122.5178.727.4-35.3000111.2L54 Y55 P86 Y123 E127 F143L54-P125 HydrophobicContact CD1-CG 4.33Å; Y55-P125 HydrophobicContact CE2-CG 4.43Å; P86-P125 HydrophobicContact CG-CB 3.89Å; Y123-P125 WeakPolarHBondContact O-CD 3.44Å; P125-E127 PolarHBondContact O-N 3.04Å; P125-F143 HydrophobicContact CB-CE1 4.07Å; P125-F143 HydrophobicContact CB-CZ 4.16Å; P125-F143 HydrophobicContact CG-CE1 3.69Å; P125-F143 HydrophobicContact CG-CZ 4.21Å
126N90.7Very high90.9Very high69 Ų6968.3 Ų68.337%0.36934%0.336SS..  trans-89.592-176.5179.119.4000111.8P86 N87 E124 Q128 D129P86-N126 WeakPolarHBondContact CB-O 3.2Å; N87-N126 PolarHBondContact ND2-O 3.26Å; N87-N126 PolarHBondContact OD1-N 3.39Å; E124-N126 PolarHBondContact O-N 2.78Å; N126-Q128 PolarHBondContact O-N 3.27Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.49Å; N126-Q128 PolarHBondContact OD1-N 2.96Å; N126-Q128 VanDerWaalsContact OD1-N 3.09Å; N126-D129 WeakPolarHBondContact ND2-CB 3.47Å
127E87.9Confident90.7Very high84 Ų8467.1 Ų67.139%0.39333%0.329SS..THydrogen-bonded Turntrans-59.6-19.5174.9-64.4177.8-13600114.6P125 I137 F143P125-E127 PolarHBondContact O-N 3.04Å; E127-I137 VanDerWaalsContact OE2-CD1 3.3Å; E127-I137 WeakPolarHBondContact OE2-CD1 3.47Å; E127-F143 HydrophobicContact CG-CD1 3.92Å; E127-F143 HydrophobicContact CG-CE1 4.18Å; E127-F143 HydrophobicContact CG-CG 4.19Å; E127-F143 WeakPolarHBondContact OE1-CD1 3.29Å
128Q86.1Confident90.3Very high167 Ų16768 Ų6878%0.7833%0.333SS*.THydrogen-bonded Turntrans-88.1-14.6-172.3-56.6-61.7-68.500114.2N126N126-Q128 PolarHBondContact O-N 3.27Å; N126-Q128 WeakPolarHBondContact OD1-CB 3.49Å; N126-Q128 PolarHBondContact OD1-N 2.96Å; N126-Q128 VanDerWaalsContact OD1-N 3.09Å
129D87.5Confident89.6Confident109 Ų10973.3 Ų73.358%0.58338%0.376SS*.SBendtrans-141.768.2-178-165.628.5000109.7N87 N126N87-D129 PolarHBondContact ND2-O 2.71Å; N126-D129 WeakPolarHBondContact ND2-CB 3.47Å
130P89Confident89.2Confident41 Ų4176.7 Ų76.727%0.26641%0.414SS..  trans-71.3146-178.830.3-34.8000111.5P86 N132 F135P86-P130 HydrophobicContact CB-CB 4.18Å; P86-P130 CarbonylContact O-C 3.56Å; P86-P130 WeakPolarHBondContact O-CA 3.34Å; P86-P130 WeakPolarHBondContact O-CB 3.49Å; P130-N132 PolarHBondContact O-N 2.86Å; P130-F135 HydrophobicContact CB-CB 3.61Å; P130-F135 HydrophobicContact CB-CD1 4.05Å; P130-F135 HydrophobicContact CB-CG 4.01Å; P130-F135 HydrophobicContact CG-CB 4.15Å
131I88Confident88.8Confident56 Ų5672.3 Ų72.329%0.28740%0.398SS..SBendtrans-65.9-29.7179.7-168.3174.8000112.2P86 E89 A96 C98P86-I131 PolarHBondContact O-N 2.78Å; E89-I131 HydrophobicContact CG-CD1 4.22Å; E89-I131 HydrophobicContact CG-CG1 4.46Å; E89-I131 HydrophobicContact CG-CG2 3.75Å; A96-I131 HydrophobicContact CB-CD1 3.81Å; C98-I131 HydrophobicContact CB-CB 4.23Å; C98-I131 HydrophobicContact CB-CD1 3.96Å; C98-I131 HydrophobicContact CB-CG1 4.23Å
132N85.4Confident88.6Confident31 Ų3174 Ų7417%0.16641%0.412CS..SBendtrans-110.2123.2178.3-177.7-10.9000109.2P130 H134 F135P130-N132 PolarHBondContact O-N 2.86Å; N132-H134 PolarHBondContact O-N 3.39Å; N132-H134 VanDerWaalsContact O-N 3.09Å; N132-H134 WeakPolarHBondContact OD1-CB 3.47Å; N132-H134 PolarHBondContact OD1-N 2.97Å; N132-F135 WeakPolarHBondContact O-CB 3.24Å; N132-F135 PolarHBondContact O-N 2.89Å
133E83.6Confident88.4Confident171 Ų17174.6 Ų74.680%0.79941%0.414SS*.THydrogen-bonded Turntrans-62.1-15.2177.463.1173.4-179.200113.6
134H85.5Confident88.3Confident96 Ų9675.9 Ų75.944%0.44442%0.424SS..THydrogen-bonded Turntrans-89.84.9172.6-54.7-25.8000113.7N132 I136 H158N132-H134 PolarHBondContact O-N 3.39Å; N132-H134 VanDerWaalsContact O-N 3.09Å; N132-H134 WeakPolarHBondContact OD1-CB 3.47Å; N132-H134 PolarHBondContact OD1-N 2.97Å; H134-I136 PolarHBondContact O-N 2.9Å; H134-I136 VanDerWaalsContact O-N 3.09Å; H134-H158 HydrophobicContact CB-CB 4.32Å; H134-H158 WeakPolarHBondContact O-CB 3.49Å; H134-H158 PolarHBondContact O-CD2 3.47Å
135F88.8Confident88.3Confident36 Ų3674.5 Ų74.516%0.15842%0.417CS..  trans-69.9107.6174.4-173.8-92000110.7Y84 P86 P130 N132 I137 F143Y84-F135 HydrophobicContact CD1-CE2 4.46Å; Y84-F135 AromaticContact CD2-CE2 3.98Å; Y84-F135 HydrophobicContact CD2-CE2 3.98Å; Y84-F135 HydrophobicContact CE1-CE2 4.12Å; Y84-F135 AromaticContact CE1-CZ 3.88Å; Y84-F135 HydrophobicContact CE1-CZ 3.88Å; Y84-F135 HydrophobicContact CE2-CD2 4.3Å; Y84-F135 AromaticContact CE2-CE2 3.6Å; Y84-F135 HydrophobicContact CE2-CE2 3.6Å; Y84-F135 HydrophobicContact CE2-CZ 4.03Å; Y84-F135 HydrophobicContact CG-CE2 4.39Å; Y84-F135 AromaticContact CZ-CE2 3.66Å; Y84-F135 AromaticContact CZ-CZ 3.58Å; P86-F135 HydrophobicContact CB-CD1 4.01Å; P86-F135 HydrophobicContact CB-CE1 3.75Å; P86-F135 HydrophobicContact CB-CE2 4.43Å; P86-F135 HydrophobicContact CB-CG 4.47Å; P86-F135 HydrophobicContact CB-CZ 3.98Å; P86-F135 HydrophobicContact CG-CZ 4.46Å; P130-F135 HydrophobicContact CB-CB 3.61Å; P130-F135 HydrophobicContact CB-CD1 4.05Å; P130-F135 HydrophobicContact CB-CG 4.01Å; P130-F135 HydrophobicContact CG-CB 4.15Å; N132-F135 WeakPolarHBondContact O-CB 3.24Å; N132-F135 PolarHBondContact O-N 2.89Å; F135-I137 HydrophobicContact CE1-CG1 4.33Å; F135-F143 HydrophobicContact CZ-CD2 4.41Å; F135-F143 AromaticContact CZ-CE2 3.95Å; F135-F143 HydrophobicContact CZ-CE2 3.95Å
136I87.4Confident88.3Confident98 Ų9873.3 Ų73.350%0.50341%0.409SS..  trans-129.6123.3-176.3-60.9175.5000109.9Y84 H134Y84-I136 PolarHBondContact OH-O 2.84Å; H134-I136 PolarHBondContact O-N 2.9Å; H134-I136 VanDerWaalsContact O-N 3.09Å
137I89Confident88.4Confident54 Ų5470.1 Ų70.128%0.27739%0.392SS..  trans-68.8126170.9-60.7162.9000108.9Y84 E127 F135 A139 F143Y84-I137 WeakPolarHBondContact OH-CA 3.32Å; E127-I137 VanDerWaalsContact OE2-CD1 3.3Å; E127-I137 WeakPolarHBondContact OE2-CD1 3.47Å; F135-I137 HydrophobicContact CE1-CG1 4.33Å; I137-A139 PolarHBondContact O-N 2.98Å; I137-F143 HydrophobicContact CD1-CB 4.01Å; I137-F143 HydrophobicContact CG1-CB 4.46Å; I137-F143 HydrophobicContact CG1-CD2 4.47Å
138P86.3Confident88.7Confident30 Ų3069.1 Ų69.120%0.19539%0.389CS..  trans-56131.5-178.1-2430.9000112.8G140 S141 A146 H156P138-G140 PolarHBondContact O-N 2.83Å; P138-G140 VanDerWaalsContact O-N 3.12Å; P138-S141 WeakPolarHBondContact CB-OG 3.44Å; P138-S141 WeakPolarHBondContact CD-OG 3.16Å; P138-S141 WeakPolarHBondContact O-CB 3.26Å; P138-S141 PolarHBondContact O-N 2.86Å; P138-S141 PolarHBondContact O-OG 2.8Å; P138-A146 HydrophobicContact CG-CB 4.3Å; P138-H156 HydrophobicContact CG-CB 4.37Å; P138-H156 VanDerWaalsContact CG-ND1 3.31Å; P138-H156 WeakPolarHBondContact CG-ND1 3.41Å
139A84Confident89Confident111 Ų11165.4 Ų65.492%0.91737%0.372SS*.THydrogen-bonded Turntrans-59.7115.6-172.500000112.5I137I137-A139 PolarHBondContact O-N 2.98Å
140G85.9Confident89.3Confident84 Ų8460.3 Ų60.387%0.86635%0.345SS*.THydrogen-bonded Turntrans96.4-9.6-17800000115P138P138-G140 PolarHBondContact O-N 2.83Å; P138-G140 VanDerWaalsContact O-N 3.12Å
141S86.8Confident89.6Confident28 Ų2858.5 Ų58.520%0.19633%0.333CS..  trans-86.5155.5166.773.80000111.2P138P138-S141 WeakPolarHBondContact CB-OG 3.44Å; P138-S141 WeakPolarHBondContact CD-OG 3.16Å; P138-S141 WeakPolarHBondContact O-CB 3.26Å; P138-S141 PolarHBondContact O-N 2.86Å; P138-S141 PolarHBondContact O-OG 2.8Å
142S91.2Very high89.8Confident51 Ų5160.5 Ų60.536%0.35734%0.341SS..  trans-85.7157.3159.7730000110.6Q144 Q145 A146S142-Q144 PolarHBondContact O-N 3.04Å; S142-Q145 WeakPolarHBondContact O-CA 3.36Å; S142-Q145 WeakPolarHBondContact O-CB 3.16Å; S142-Q145 PolarHBondContact O-N 3.44Å; S142-Q145 WeakPolarHBondContact OG-CG 3.43Å; S142-Q145 PolarHBondContact OG-N 2.81Å; S142-A146 PolarHBondContact O-N 2.94Å
143F92.3Very high90Very high13 Ų1360.5 Ų60.56%0.05735%0.348CS..Hα-helixtrans-54.1-41.2175.1174.9-128.7000112.3L54 Y55 Y84 P86 P125 E127 F135 I137 Q145 A146 V147L54-F143 HydrophobicContact CD1-CD1 3.69Å; L54-F143 HydrophobicContact CD1-CE1 3.46Å; L54-F143 VanDerWaalsContact CD1-CE1 3.46Å; L54-F143 HydrophobicContact CD1-CZ 4.36Å; Y55-F143 WeakPolarHBondContact OH-CZ 3.3Å; Y84-F143 HydrophobicContact CD1-CE2 4.32Å; Y84-F143 AromaticContact CE1-CD2 3.95Å; Y84-F143 HydrophobicContact CE1-CD2 3.95Å; Y84-F143 AromaticContact CE1-CE2 3.85Å; Y84-F143 HydrophobicContact CE1-CE2 3.85Å; P86-F143 HydrophobicContact CG-CZ 4.37Å; P125-F143 HydrophobicContact CB-CE1 4.07Å; P125-F143 HydrophobicContact CB-CZ 4.16Å; P125-F143 HydrophobicContact CG-CE1 3.69Å; P125-F143 HydrophobicContact CG-CZ 4.21Å; E127-F143 HydrophobicContact CG-CD1 3.92Å; E127-F143 HydrophobicContact CG-CE1 4.18Å; E127-F143 HydrophobicContact CG-CG 4.19Å; E127-F143 WeakPolarHBondContact OE1-CD1 3.29Å; F135-F143 HydrophobicContact CZ-CD2 4.41Å; F135-F143 AromaticContact CZ-CE2 3.95Å; F135-F143 HydrophobicContact CZ-CE2 3.95Å; I137-F143 HydrophobicContact CD1-CB 4.01Å; I137-F143 HydrophobicContact CG1-CB 4.46Å; I137-F143 HydrophobicContact CG1-CD2 4.47Å; F143-Q145 VanDerWaalsContact C-N 3.33Å; F143-Q145 PolarHBondContact O-N 3.14Å; F143-A146 PolarHBondContact O-N 2.97Å; F143-V147 HydrophobicContact CD2-CG2 3.99Å; F143-V147 HydrophobicContact CE1-CG2 4.44Å; F143-V147 HydrophobicContact CE2-CG2 3.52Å; F143-V147 HydrophobicContact CZ-CG2 3.79Å; F143-V147 WeakPolarHBondContact O-CG2 3.32Å; F143-V147 PolarHBondContact O-N 3Å
144Q93Very high90.2Very high114 Ų11453.6 Ų53.653%0.53332%0.323SS..Hα-helixtrans-58.3-39.8173.3178174.928.800113.2L54 S142 I148L54-Q144 HydrophobicContact CD2-CB 3.85Å; L54-Q144 HydrophobicContact CD2-CG 3.74Å; S142-Q144 PolarHBondContact O-N 3.04Å; Q144-I148 HydrophobicContact CG-CD1 3.91Å; Q144-I148 WeakPolarHBondContact O-CB 3.39Å; Q144-I148 WeakPolarHBondContact O-CD1 3.39Å; Q144-I148 VanDerWaalsContact O-CG1 3.27Å; Q144-I148 WeakPolarHBondContact O-CG1 3.11Å; Q144-I148 PolarHBondContact O-N 2.82Å
145Q92.7Very high90.2Very high97 Ų9753 Ų5345%0.45333%0.33SS..Hα-helixtrans-67.7-46.5176-72.7166.3-20.800110.8S142 F143 V147 I148 E149S142-Q145 WeakPolarHBondContact O-CA 3.36Å; S142-Q145 WeakPolarHBondContact O-CB 3.16Å; S142-Q145 PolarHBondContact O-N 3.44Å; S142-Q145 WeakPolarHBondContact OG-CG 3.43Å; S142-Q145 PolarHBondContact OG-N 2.81Å; F143-Q145 VanDerWaalsContact C-N 3.33Å; F143-Q145 PolarHBondContact O-N 3.14Å; Q145-V147 VanDerWaalsContact C-N 3.27Å; Q145-V147 PolarHBondContact O-N 3.1Å; Q145-I148 PolarHBondContact O-N 3.27Å; Q145-I148 VanDerWaalsContact O-N 3.09Å; Q145-E149 WeakPolarHBondContact O-CB 3.42Å; Q145-E149 WeakPolarHBondContact O-CG 3.47Å; Q145-E149 PolarHBondContact O-N 2.92Å
146A92.6Very high90Very high0 Ų052.2 Ų52.20%033%0.326CS..Hα-helixtrans-58.8-37.3177.800000112.7Y84 P138 S142 F143 S150 H156Y84-A146 HydrophobicContact CD1-CB 4.43Å; Y84-A146 HydrophobicContact CE1-CB 3.62Å; P138-A146 HydrophobicContact CG-CB 4.3Å; S142-A146 PolarHBondContact O-N 2.94Å; F143-A146 PolarHBondContact O-N 2.97Å; A146-S150 WeakPolarHBondContact O-CB 3.34Å; A146-S150 PolarHBondContact O-N 2.95Å; A146-S150 PolarHBondContact O-OG 3.23Å; A146-H156 PolarHBondContact O-NE2 3.49Å
147V94.4Very high89.5Confident1 Ų152.4 Ų52.41%0.00633%0.334CS..Hα-helixtrans-67.6-45.3172.3171.20000112.1L54 Y55 Y84 F143 Q145 E149 S150 L151L54-V147 HydrophobicContact CB-CG1 4.33Å; Y55-V147 HydrophobicContact CD1-CG1 3.8Å; Y55-V147 HydrophobicContact CE1-CB 4.44Å; Y55-V147 HydrophobicContact CE1-CG1 3.56Å; Y55-V147 HydrophobicContact CE1-CG2 3.98Å; Y84-V147 HydrophobicContact CD1-CG2 3.97Å; Y84-V147 HydrophobicContact CE1-CG2 4.33Å; F143-V147 HydrophobicContact CD2-CG2 3.99Å; F143-V147 HydrophobicContact CE1-CG2 4.44Å; F143-V147 HydrophobicContact CE2-CG2 3.52Å; F143-V147 HydrophobicContact CZ-CG2 3.79Å; F143-V147 WeakPolarHBondContact O-CG2 3.32Å; F143-V147 PolarHBondContact O-N 3Å; Q145-V147 VanDerWaalsContact C-N 3.27Å; Q145-V147 PolarHBondContact O-N 3.1Å; V147-E149 VanDerWaalsContact C-N 3.27Å; V147-E149 PolarHBondContact O-N 3.02Å; V147-S150 WeakPolarHBondContact CA-OG 3.21Å; V147-S150 PolarHBondContact O-N 3.29Å; V147-S150 PolarHBondContact O-OG 3.43Å; V147-L151 HydrophobicContact CG1-CD1 3.85Å; V147-L151 HydrophobicContact CG1-CG 4.43Å; V147-L151 WeakPolarHBondContact O-CB 3.34Å; V147-L151 WeakPolarHBondContact O-CD1 3.17Å; V147-L151 VanDerWaalsContact O-CG 3.23Å; V147-L151 WeakPolarHBondContact O-CG 3.27Å; V147-L151 PolarHBondContact O-N 3.22Å
148I93.5Very high89.1Confident63 Ų6353.7 Ų53.732%0.32334%0.339SS..Hα-helixtrans-63.9-34.4177.7-72.7167.4000111.4Q144 Q145 Q152 W167Q144-I148 HydrophobicContact CG-CD1 3.91Å; Q144-I148 WeakPolarHBondContact O-CB 3.39Å; Q144-I148 WeakPolarHBondContact O-CD1 3.39Å; Q144-I148 VanDerWaalsContact O-CG1 3.27Å; Q144-I148 WeakPolarHBondContact O-CG1 3.11Å; Q144-I148 PolarHBondContact O-N 2.82Å; Q145-I148 PolarHBondContact O-N 3.27Å; Q145-I148 VanDerWaalsContact O-N 3.09Å; I148-Q152 VanDerWaalsContact CG2-NE2 3.26Å; I148-Q152 WeakPolarHBondContact O-CG 3.22Å; I148-Q152 PolarHBondContact O-N 2.78Å; I148-Q152 PolarHBondContact O-NE2 3.38Å; I148-W167 HydrophobicContact CG2-CH2 4.31Å
149E92.2Very high89.1Confident90 Ų9053 Ų5342%0.42133%0.332SS..Hα-helixtrans-71-44173.9-72.2168.8-171.300111.6Q145 V147 L151 Q152 G153 G154 H156Q145-E149 WeakPolarHBondContact O-CB 3.42Å; Q145-E149 WeakPolarHBondContact O-CG 3.47Å; Q145-E149 PolarHBondContact O-N 2.92Å; V147-E149 VanDerWaalsContact C-N 3.27Å; V147-E149 PolarHBondContact O-N 3.02Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 3.13Å; E149-Q152 CarbonylContact O-C 3.13Å; E149-Q152 WeakPolarHBondContact O-CB 3.32Å; E149-Q152 PolarHBondContact O-N 2.9Å; E149-Q152 VanDerWaalsContact O-N 3.08Å; E149-G153 PolarHBondContact O-N 3.48Å; E149-G154 WeakPolarHBondContact O-CA 3.42Å; E149-G154 PolarHBondContact O-N 3.48Å; E149-H156 IonicContact OE2-CE1 2.68Å; E149-H156 PolarHBondContact OE2-CE1 3.42Å
150S93.7Very high89.2Confident2 Ų251.5 Ų51.51%0.01432%0.315CS..Hα-helixtrans-62.7-38177.467.90000112.5Y84 A146 V147 Q152 G153 Y159Y84-S150 VanDerWaalsContact CB-CB 3.49Å; Y84-S150 WeakPolarHBondContact CB-OG 3.39Å; A146-S150 WeakPolarHBondContact O-CB 3.34Å; A146-S150 PolarHBondContact O-N 2.95Å; A146-S150 PolarHBondContact O-OG 3.23Å; V147-S150 WeakPolarHBondContact CA-OG 3.21Å; V147-S150 PolarHBondContact O-N 3.29Å; V147-S150 PolarHBondContact O-OG 3.43Å; S150-Q152 PolarHBondContact O-N 2.99Å; S150-G153 PolarHBondContact O-N 2.97Å; S150-Y159 VanDerWaalsContact CB-CE1 3.42Å; S150-Y159 PolarHBondContact O-OH 3.37Å
151L94.6Very high89.1Confident3 Ų347.8 Ų47.82%0.01628%0.277CS..Hα-helixtrans-64.8-27.6175.6-72.5166.4000112.5A58 Y60 V147 E149 G153 N164 W167A58-L151 HydrophobicContact CB-CD2 3.7Å; Y60-L151 WeakPolarHBondContact OH-CD2 3.33Å; V147-L151 HydrophobicContact CG1-CD1 3.85Å; V147-L151 HydrophobicContact CG1-CG 4.43Å; V147-L151 WeakPolarHBondContact O-CB 3.34Å; V147-L151 WeakPolarHBondContact O-CD1 3.17Å; V147-L151 VanDerWaalsContact O-CG 3.23Å; V147-L151 WeakPolarHBondContact O-CG 3.27Å; V147-L151 PolarHBondContact O-N 3.22Å; E149-L151 VanDerWaalsContact C-N 3.32Å; E149-L151 PolarHBondContact O-N 3.13Å; L151-G153 VanDerWaalsContact C-N 3.31Å; L151-N164 HydrophobicContact CD2-CB 3.77Å; L151-N164 PolarHBondContact O-N 2.66Å; L151-W167 HydrophobicContact CB-CD2 3.86Å; L151-W167 HydrophobicContact CB-CE3 3.92Å; L151-W167 HydrophobicContact CB-CG 4.18Å; L151-W167 HydrophobicContact CB-CZ3 4.41Å; L151-W167 HydrophobicContact CD1-CD2 4.18Å; L151-W167 HydrophobicContact CD1-CG 4.12Å; L151-W167 HydrophobicContact CD2-CB 4.26Å; L151-W167 HydrophobicContact CD2-CG 4.19Å; L151-W167 HydrophobicContact CG-CD2 4.48Å; L151-W167 HydrophobicContact CG-CG 4.41Å
152Q92.3Very high89.3Confident98 Ų9852.6 Ų52.646%0.45830%0.3SS..THydrogen-bonded Turntrans-840.5173.4-72.3171.973.100113.7I148 E149 S150 W167I148-Q152 VanDerWaalsContact CG2-NE2 3.26Å; I148-Q152 WeakPolarHBondContact O-CG 3.22Å; I148-Q152 PolarHBondContact O-N 2.78Å; I148-Q152 PolarHBondContact O-NE2 3.38Å; E149-Q152 CarbonylContact O-C 3.13Å; E149-Q152 WeakPolarHBondContact O-CB 3.32Å; E149-Q152 PolarHBondContact O-N 2.9Å; E149-Q152 VanDerWaalsContact O-N 3.08Å; S150-Q152 PolarHBondContact O-N 2.99Å; Q152-W167 HydrophobicContact CG-CE3 4.48Å; Q152-W167 HydrophobicContact CG-CH2 4.15Å; Q152-W167 HydrophobicContact CG-CZ3 3.56Å
153G90.2Very high89.3Confident31 Ų3153 Ų5332%0.3230%0.301SS..THydrogen-bonded Turntrans8122.4-175.800000113.7E149 S150 L151E149-G153 PolarHBondContact O-N 3.48Å; S150-G153 PolarHBondContact O-N 2.97Å; L151-G153 VanDerWaalsContact C-N 3.31Å
154G87.4Confident89.4Confident26 Ų2653.4 Ų53.427%0.26830%0.304SS..  trans-68.1149.5166.400000111.3E149 Y159E149-G154 WeakPolarHBondContact O-CA 3.42Å; E149-G154 PolarHBondContact O-N 3.48Å; G154-Y159 WeakPolarHBondContact O-CE1 3.24Å
155S86Confident89.5Confident84 Ų8456.1 Ų56.159%0.58731%0.314SS*.  trans-113.6132.8178.9179.10000111.1Y159 S160S155-Y159 CarbonylContact C-O 3.44Å; S155-Y159 VanDerWaalsContact CA-O 3.31Å; S155-Y159 WeakPolarHBondContact CA-O 3.35Å; S155-Y159 PolarHBondContact OG-O 3.21Å; S155-S160 WeakPolarHBondContact OG-CB 3.43Å
156H84.9Confident89.6Confident18 Ų1852.7 Ų52.78%0.08330%0.302CS..BIsolated β-bridgetrans-110164.8175.5-59.6-46.6000109.1Y84 P138 A146 E149 H158 Y159Y84-H156 AromaticContact CD2-CD2 3.87Å; Y84-H156 AromaticContact CE2-CD2 3.86Å; P138-H156 HydrophobicContact CG-CB 4.37Å; P138-H156 VanDerWaalsContact CG-ND1 3.31Å; P138-H156 WeakPolarHBondContact CG-ND1 3.41Å; A146-H156 PolarHBondContact O-NE2 3.49Å; E149-H156 IonicContact OE2-CE1 2.68Å; E149-H156 PolarHBondContact OE2-CE1 3.42Å; H156-H158 PolarHBondContact O-N 3.11Å; H156-Y159 PolarHBondContact N-O 3.49Å; H156-Y159 CarbonylContact O-C 3.54Å; H156-Y159 PolarHBondContact O-N 3.45Å
157P76.8Confident89.7Confident102 Ų10253.5 Ų53.566%0.66231%0.305SS*.THydrogen-bonded Turntrans-57-18-172-28.136.6000116.2
158H80.1Confident89.7Confident82 Ų8255.5 Ų55.538%0.3832%0.319SS..THydrogen-bonded Turntrans-13017.5-178.5-51.2-67.2000112.8H134 H156H134-H158 HydrophobicContact CB-CB 4.32Å; H134-H158 WeakPolarHBondContact O-CB 3.49Å; H134-H158 PolarHBondContact O-CD2 3.47Å; H156-H158 PolarHBondContact O-N 3.11Å
159Y86.7Confident89.6Confident15 Ų1558.4 Ų58.46%0.05933%0.334CS..BIsolated β-bridgetrans-152.6127.7178.7168.5-91.9000111.2H82 Y84 D90 S150 G154 S155 H156H82-Y159 HydrophobicContact CB-CE2 4.17Å; Y84-Y159 HydrophobicContact CD2-CD1 4.45Å; Y84-Y159 HydrophobicContact CD2-CG 4.11Å; D90-Y159 HydrophobicContact CB-CD2 4.39Å; D90-Y159 WeakPolarHBondContact OD1-CD2 3.49Å; D90-Y159 VanDerWaalsContact OD1-CE2 3.25Å; D90-Y159 WeakPolarHBondContact OD1-CE2 3.26Å; S150-Y159 VanDerWaalsContact CB-CE1 3.42Å; S150-Y159 PolarHBondContact O-OH 3.37Å; G154-Y159 WeakPolarHBondContact O-CE1 3.24Å; S155-Y159 CarbonylContact C-O 3.44Å; S155-Y159 VanDerWaalsContact CA-O 3.31Å; S155-Y159 WeakPolarHBondContact CA-O 3.35Å; S155-Y159 PolarHBondContact OG-O 3.21Å; H156-Y159 PolarHBondContact N-O 3.49Å; H156-Y159 CarbonylContact O-C 3.54Å; H156-Y159 PolarHBondContact O-N 3.45Å
160S85.3Confident89.7Confident79 Ų7958.1 Ų58.155%0.55233%0.329SS*.  trans-138.351.7179.457.40000112.2S155S155-S160 WeakPolarHBondContact OG-CB 3.43Å
161G85.6Confident89.6Confident7 Ų760.1 Ų60.17%0.07234%0.338CS..PPolyproline II helixtrans-80.4154.9-177.100000115.4
162L89.5Confident89.5Confident129 Ų12967.1 Ų67.168%0.67537%0.368SS*.PPolyproline II helixtrans-67.4151.8170-69.2173.6000112N164L162-N164 PolarHBondContact O-N 2.66Å
163P91.3Very high89.4Confident59 Ų5969 Ų6938%0.38338%0.375SS..PPolyproline II helixtrans-58.8136177.323.1-33.8000112.5K165P163-K165 PolarHBondContact O-N 3.39Å; P163-K165 VanDerWaalsContact O-N 3.09Å
164N95.7Very high89.3Confident21 Ų2169.7 Ų69.711%0.11237%0.371CS..  trans-71.1109.8178.9-167.8-70.8000109.9A58 E59 L151 L162 A166 W167 C168A58-N164 WeakPolarHBondContact CA-OD1 3.38Å; E59-N164 PolarHBondContact N-OD1 2.93Å; E59-N164 PolarHBondContact O-ND2 3.3Å; L151-N164 HydrophobicContact CD2-CB 3.77Å; L151-N164 PolarHBondContact O-N 2.66Å; L162-N164 PolarHBondContact O-N 2.66Å; N164-A166 PolarHBondContact O-N 2.67Å; N164-A166 PolarHBondContact OD1-N 3.01Å; N164-W167 HydrophobicContact CB-CB 4.05Å; N164-W167 PolarHBondContact O-N 3.28Å; N164-W167 PolarHBondContact OD1-N 3.39Å; N164-C168 WeakPolarHBondContact O-CB 3.33Å; N164-C168 PolarHBondContact O-N 2.74Å; N164-C168 PolarHBondContact O-SG 2.84Å
165K94.4Very high89.2Confident172 Ų17273.2 Ų73.275%0.74838%0.379SS*.Hα-helixtrans-60-42.8-170.7-65.8174.2-176.4168.40112.5P163 I169P163-K165 PolarHBondContact O-N 3.39Å; P163-K165 VanDerWaalsContact O-N 3.09Å; K165-I169 WeakPolarHBondContact O-CD1 3.22Å; K165-I169 VanDerWaalsContact O-CG1 3.22Å; K165-I169 WeakPolarHBondContact O-CG1 3.08Å; K165-I169 PolarHBondContact O-N 3.5Å
166A94.3Very high89.1Confident25 Ų2573 Ų7321%0.20737%0.371CS..Hα-helixtrans-65.7-47.6-179.900000111.4H57 E59 N164 C168 I169 W170H57-A166 CarbonylContact O-C 3.58Å; E59-A166 HydrophobicContact CB-CB 3.94Å; E59-A166 HydrophobicContact CG-CB 3.47Å; E59-A166 VanDerWaalsContact CG-CB 3.47Å; N164-A166 PolarHBondContact O-N 2.67Å; N164-A166 PolarHBondContact OD1-N 3.01Å; A166-C168 PolarHBondContact O-N 2.78Å; A166-I169 PolarHBondContact O-N 2.78Å; A166-W170 PolarHBondContact O-N 2.84Å
167W95.5Very high88.5Confident16 Ų1676.1 Ų76.16%0.06139%0.386CS..Hα-helixtrans-59.5-46.2176.8-170.688.3000111.9A56 H57 A58 I148 L151 Q152 N164 I169 W170 H171A56-W167 VanDerWaalsContact O-CD1 3.23Å; H57-W167 PolarHBondContact O-N 2.86Å; A58-W167 HydrophobicContact CB-CB 4.17Å; I148-W167 HydrophobicContact CG2-CH2 4.31Å; L151-W167 HydrophobicContact CB-CD2 3.86Å; L151-W167 HydrophobicContact CB-CE3 3.92Å; L151-W167 HydrophobicContact CB-CG 4.18Å; L151-W167 HydrophobicContact CB-CZ3 4.41Å; L151-W167 HydrophobicContact CD1-CD2 4.18Å; L151-W167 HydrophobicContact CD1-CG 4.12Å; L151-W167 HydrophobicContact CD2-CB 4.26Å; L151-W167 HydrophobicContact CD2-CG 4.19Å; L151-W167 HydrophobicContact CG-CD2 4.48Å; L151-W167 HydrophobicContact CG-CG 4.41Å; Q152-W167 HydrophobicContact CG-CE3 4.48Å; Q152-W167 HydrophobicContact CG-CH2 4.15Å; Q152-W167 HydrophobicContact CG-CZ3 3.56Å; N164-W167 HydrophobicContact CB-CB 4.05Å; N164-W167 PolarHBondContact O-N 3.28Å; N164-W167 PolarHBondContact OD1-N 3.39Å; W167-I169 VanDerWaalsContact C-N 3.34Å; W167-I169 PolarHBondContact O-N 2.84Å; W167-W170 AromaticContact NE1-CZ3 3.97Å; W167-W170 PolarHBondContact O-N 2.96Å; W167-H171 HydrophobicContact CD2-CB 4.38Å; W167-H171 HydrophobicContact CE3-CB 4.14Å; W167-H171 HydrophobicContact CH2-CB 4.1Å; W167-H171 AromaticContact CH2-CE1 3.58Å; W167-H171 AromaticContact CH2-CG 3.68Å; W167-H171 AromaticContact CH2-ND1 3.28Å; W167-H171 VanDerWaalsContact CH2-ND1 3.28Å; W167-H171 WeakPolarHBondContact CH2-ND1 3.44Å; W167-H171 HydrophobicContact CZ2-CB 4.33Å; W167-H171 HydrophobicContact CZ3-CB 3.99Å; W167-H171 AromaticContact CZ3-CE1 3.86Å; W167-H171 AromaticContact CZ3-CG 3.81Å; W167-H171 AromaticContact CZ3-ND1 3.2Å; W167-H171 WeakPolarHBondContact CZ3-ND1 3.39Å; W167-H171 VanDerWaalsContact O-CB 3.23Å; W167-H171 WeakPolarHBondContact O-CB 3.4Å; W167-H171 PolarHBondContact O-N 2.8Å
168C92.9Very high88.5Confident43 Ų4377.1 Ų77.129%0.29138%0.382SS..Hα-helixtrans-60.9-39.1177.4-76.90000113N164 A166 K172N164-C168 WeakPolarHBondContact O-CB 3.33Å; N164-C168 PolarHBondContact O-N 2.74Å; N164-C168 PolarHBondContact O-SG 2.84Å; A166-C168 PolarHBondContact O-N 2.78Å; C168-K172 VanDerWaalsContact O-CB 3.29Å; C168-K172 WeakPolarHBondContact O-CB 3.28Å; C168-K172 PolarHBondContact O-N 3.06Å
169I92.9Very high88.2Confident124 Ų12478.7 Ų78.764%0.63639%0.39SS*.Hα-helixtrans-67-46.1175.9-70.9164.4000110.6K165 A166 W167 K172 K173K165-I169 WeakPolarHBondContact O-CD1 3.22Å; K165-I169 VanDerWaalsContact O-CG1 3.22Å; K165-I169 WeakPolarHBondContact O-CG1 3.08Å; K165-I169 PolarHBondContact O-N 3.5Å; A166-I169 PolarHBondContact O-N 2.78Å; W167-I169 VanDerWaalsContact C-N 3.34Å; W167-I169 PolarHBondContact O-N 2.84Å; I169-K172 PolarHBondContact O-N 3.47Å; I169-K173 WeakPolarHBondContact O-CB 3.28Å; I169-K173 PolarHBondContact O-N 2.89Å
170W93.9Very high87.3Confident84 Ų8483.5 Ų83.532%0.31841%0.413SS..Hα-helixtrans-60.7-49.9176.9169.991.4000112.1H57 A166 W167 K172 K173 N174H57-W170 HydrophobicContact CB-CB 4.03Å; H57-W170 HydrophobicContact CB-CD2 3.81Å; H57-W170 HydrophobicContact CB-CE3 4.35Å; H57-W170 HydrophobicContact CB-CG 3.62Å; H57-W170 AromaticContact CD2-CD1 3.79Å; H57-W170 AromaticContact CD2-CD2 3.53Å; H57-W170 AromaticContact CD2-CE2 3.01Å; H57-W170 AromaticContact CD2-CH2 3.87Å; H57-W170 AromaticContact CD2-CZ2 3.21Å; H57-W170 WeakPolarHBondContact CD2-CZ2 3.38Å; H57-W170 AromaticContact CD2-NE1 3.16Å; H57-W170 PolarHBondContact CD2-NE1 3.27Å; H57-W170 AromaticContact CE1-NE1 3.76Å; H57-W170 AromaticContact CG-CD1 3.54Å; H57-W170 AromaticContact CG-CD2 3.8Å; H57-W170 AromaticContact CG-CE2 3.61Å; H57-W170 AromaticContact CG-CG 3.81Å; H57-W170 AromaticContact CG-NE1 3.38Å; H57-W170 AromaticContact ND1-CD1 3.97Å; H57-W170 AromaticContact ND1-NE1 3.76Å; H57-W170 AromaticContact NE2-CE2 3.51Å; H57-W170 AromaticContact NE2-CZ2 3.51Å; H57-W170 AromaticContact NE2-NE1 3.37Å; H57-W170 PolarHBondContact NE2-NE1 3.39Å; A166-W170 PolarHBondContact O-N 2.84Å; W167-W170 AromaticContact NE1-CZ3 3.97Å; W167-W170 PolarHBondContact O-N 2.96Å; W170-K172 VanDerWaalsContact C-N 3.35Å; W170-K172 PolarHBondContact O-N 2.85Å; W170-K173 WeakPolarHBondContact O-CB 3.38Å; W170-K173 PolarHBondContact O-N 2.97Å; W170-K173 VanDerWaalsContact O-N 3.1Å; W170-N174 WeakPolarHBondContact CZ2-ND2 3.27Å; W170-N174 PolarHBondContact NE1-ND2 3.42Å; W170-N174 PolarHBondContact O-N 3.46Å
171H92.4Very high86.5Confident44 Ų4484.3 Ų84.320%0.20441%0.41CS..Hα-helixtrans-62.9-38.9-179.9173.2-143.2000111.9W167 K175W167-H171 HydrophobicContact CD2-CB 4.38Å; W167-H171 HydrophobicContact CE3-CB 4.14Å; W167-H171 HydrophobicContact CH2-CB 4.1Å; W167-H171 AromaticContact CH2-CE1 3.58Å; W167-H171 AromaticContact CH2-CG 3.68Å; W167-H171 AromaticContact CH2-ND1 3.28Å; W167-H171 VanDerWaalsContact CH2-ND1 3.28Å; W167-H171 WeakPolarHBondContact CH2-ND1 3.44Å; W167-H171 HydrophobicContact CZ2-CB 4.33Å; W167-H171 HydrophobicContact CZ3-CB 3.99Å; W167-H171 AromaticContact CZ3-CE1 3.86Å; W167-H171 AromaticContact CZ3-CG 3.81Å; W167-H171 AromaticContact CZ3-ND1 3.2Å; W167-H171 WeakPolarHBondContact CZ3-ND1 3.39Å; W167-H171 VanDerWaalsContact O-CB 3.23Å; W167-H171 WeakPolarHBondContact O-CB 3.4Å; W167-H171 PolarHBondContact O-N 2.8Å; H171-K175 PolarHBondContact CE1-NZ 2.67Å; H171-K175 VanDerWaalsContact CE1-NZ 3.35Å; H171-K175 WeakPolarHBondContact NE2-CE 3.47Å; H171-K175 PolarHBondContact NE2-NZ 3.25Å; H171-K175 PolarHBondContact O-N 2.74Å; H171-K175 VanDerWaalsContact O-N 3.13Å
172K91Very high85.3Confident151 Ų15186.7 Ų86.766%0.65743%0.426SS*.Hα-helixtrans-64.5-41.5172.3-175.1175.3-179.6178.70111.9C168 I169 W170 I176C168-K172 VanDerWaalsContact O-CB 3.29Å; C168-K172 WeakPolarHBondContact O-CB 3.28Å; C168-K172 PolarHBondContact O-N 3.06Å; I169-K172 PolarHBondContact O-N 3.47Å; W170-K172 VanDerWaalsContact C-N 3.35Å; W170-K172 PolarHBondContact O-N 2.85Å; K172-I176 HydrophobicContact CG-CD1 4.36Å; K172-I176 WeakPolarHBondContact O-CD1 3.43Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3Å
173K91.5Very high83.8Confident137 Ų13786.7 Ų86.760%0.59642%0.424SS*.Hα-helixtrans-63.7-47.4177.8-176.3-175.1174-171.90111.7I169 W170 K175 I176 M177I169-K173 WeakPolarHBondContact O-CB 3.28Å; I169-K173 PolarHBondContact O-N 2.89Å; W170-K173 WeakPolarHBondContact O-CB 3.38Å; W170-K173 PolarHBondContact O-N 2.97Å; W170-K173 VanDerWaalsContact O-N 3.1Å; K173-K175 PolarHBondContact O-N 3.5Å; K173-I176 WeakPolarHBondContact O-CB 3.49Å; K173-I176 PolarHBondContact O-N 3.2Å; K173-I176 VanDerWaalsContact O-N 3.16Å; K173-M177 HydrophobicContact CG-SD 4.32Å; K173-M177 PolarHBondContact O-N 2.83Å; K173-M177 VanDerWaalsContact O-N 3.1Å
174N88.1Confident82.1Confident46 Ų4688.9 Ų88.925%0.24643%0.429CS..Hα-helixtrans-66.3-38.4-178.5-74.67.2000112.2W170 I176 M177 E178W170-N174 WeakPolarHBondContact CZ2-ND2 3.27Å; W170-N174 PolarHBondContact NE1-ND2 3.42Å; W170-N174 PolarHBondContact O-N 3.46Å; N174-I176 PolarHBondContact O-N 3.1Å; N174-M177 WeakPolarHBondContact O-CA 3.45Å; N174-M177 WeakPolarHBondContact O-CB 3.41Å; N174-M177 PolarHBondContact O-N 3.09Å; N174-E178 WeakPolarHBondContact O-CG 3.21Å; N174-E178 PolarHBondContact O-N 3.12Å
175K84.4Confident80.2Confident100 Ų10092.4 Ų92.444%0.43545%0.447SS..Hα-helixtrans-60.4-31.9172.8-82.4178.9164166.50113.8H171 K173 Q179H171-K175 PolarHBondContact CE1-NZ 2.67Å; H171-K175 VanDerWaalsContact CE1-NZ 3.35Å; H171-K175 WeakPolarHBondContact NE2-CE 3.47Å; H171-K175 PolarHBondContact NE2-NZ 3.25Å; H171-K175 PolarHBondContact O-N 2.74Å; H171-K175 VanDerWaalsContact O-N 3.13Å; K173-K175 PolarHBondContact O-N 3.5Å; K175-Q179 WeakPolarHBondContact O-CB 3.38Å; K175-Q179 WeakPolarHBondContact O-CG 3.39Å; K175-Q179 PolarHBondContact O-N 2.93Å
176I83.3Confident78.1Confident79 Ų7989 Ų8941%0.40544%0.437SS..Hα-helixtrans-71-40.2173-66.2163.7000110.4K172 K173 N174 Q179 Q180K172-I176 HydrophobicContact CG-CD1 4.36Å; K172-I176 WeakPolarHBondContact O-CD1 3.43Å; K172-I176 WeakPolarHBondContact O-CG1 3.47Å; K172-I176 PolarHBondContact O-N 3Å; K173-I176 WeakPolarHBondContact O-CB 3.49Å; K173-I176 PolarHBondContact O-N 3.2Å; K173-I176 VanDerWaalsContact O-N 3.16Å; N174-I176 PolarHBondContact O-N 3.1Å; I176-Q179 PolarHBondContact O-N 3.31Å; I176-Q180 WeakPolarHBondContact O-CG 3.21Å; I176-Q180 PolarHBondContact O-N 3.1Å
177M73.3Confident76Confident84 Ų8493.1 Ų93.141%0.41445%0.452SS..Hα-helixtrans-65.2-45.8176.9-68174.155.800112K173 N174 Q179 Q180 D181K173-M177 HydrophobicContact CG-SD 4.32Å; K173-M177 PolarHBondContact O-N 2.83Å; K173-M177 VanDerWaalsContact O-N 3.1Å; N174-M177 WeakPolarHBondContact O-CA 3.45Å; N174-M177 WeakPolarHBondContact O-CB 3.41Å; N174-M177 PolarHBondContact O-N 3.09Å; M177-Q179 VanDerWaalsContact C-N 3.26Å; M177-Q179 PolarHBondContact O-N 3.39Å; M177-Q180 PolarHBondContact O-N 2.76Å; M177-D181 PolarHBondContact O-N 2.79Å
178E75.9Confident73.7Confident123 Ų12398.8 Ų98.858%0.57548%0.477SS*.Hα-helixtrans-58.3-37.3175-70.5169.6178.600112.4N174 S182N174-E178 WeakPolarHBondContact O-CG 3.21Å; N174-E178 PolarHBondContact O-N 3.12Å; E178-S182 WeakPolarHBondContact O-CB 3.46Å; E178-S182 PolarHBondContact O-N 3.03Å; E178-S182 PolarHBondContact O-OG 2.91Å
179Q73.6Confident71.3Confident115 Ų115102.4 Ų102.454%0.53749%0.494SS..Hα-helixtrans-69.8-38.2174.2-72.9171.710.300112.1K175 I176 M177 S182 M183K175-Q179 WeakPolarHBondContact O-CB 3.38Å; K175-Q179 WeakPolarHBondContact O-CG 3.39Å; K175-Q179 PolarHBondContact O-N 2.93Å; I176-Q179 PolarHBondContact O-N 3.31Å; M177-Q179 VanDerWaalsContact C-N 3.26Å; M177-Q179 PolarHBondContact O-N 3.39Å; Q179-S182 WeakPolarHBondContact CA-OG 3.27Å; Q179-S182 PolarHBondContact O-OG 2.91Å; Q179-M183 WeakPolarHBondContact O-CB 3.49Å; Q179-M183 VanDerWaalsContact O-CG 3.24Å; Q179-M183 WeakPolarHBondContact O-CG 3.5Å; Q179-M183 PolarHBondContact O-N 2.97Å
180Q69.2Low68.8Low116 Ų116102.9 Ų102.954%0.54250%0.497SS..Hα-helixtrans-68.8-45.2175.8-74174-20.500112.2I176 M177 S182 M183 E184I176-Q180 WeakPolarHBondContact O-CG 3.21Å; I176-Q180 PolarHBondContact O-N 3.1Å; M177-Q180 PolarHBondContact O-N 2.76Å; Q180-S182 PolarHBondContact O-N 3Å; Q180-M183 PolarHBondContact O-N 3.08Å; Q180-E184 PolarHBondContact O-N 3.4Å
181D68.6Low65.9Low95 Ų95104.8 Ų104.851%0.50851%0.508SS..Hα-helixtrans-62.7-42.7177.2-76.5-34.7000111.6M177 E184 I185M177-D181 PolarHBondContact O-N 2.79Å; D181-E184 PolarHBondContact O-N 3.12Å; D181-I185 WeakPolarHBondContact O-CB 3.26Å; D181-I185 WeakPolarHBondContact O-CD1 3.42Å; D181-I185 VanDerWaalsContact O-CG1 3.25Å; D181-I185 WeakPolarHBondContact O-CG1 3.5Å; D181-I185 PolarHBondContact O-N 3.11Å
182S59.4Low62.9Low57 Ų57108.7 Ų108.740%0.39954%0.537SS..Hα-helixtrans-70-29.1176.456.30000113.3E178 Q179 Q180 N186E178-S182 WeakPolarHBondContact O-CB 3.46Å; E178-S182 PolarHBondContact O-N 3.03Å; E178-S182 PolarHBondContact O-OG 2.91Å; Q179-S182 WeakPolarHBondContact CA-OG 3.27Å; Q179-S182 PolarHBondContact O-OG 2.91Å; Q180-S182 PolarHBondContact O-N 3Å; S182-N186 PolarHBondContact O-N 2.95Å; S182-N186 PolarHBondContact O-ND2 2.99Å
183M57.7Low59.8Low130 Ų130111.1 Ų111.164%0.6455%0.551SS**Hα-helixtrans-68.3-46.2167.1-74.7180-171.200111.8Q179 Q180 I185 N186 E187Q179-M183 WeakPolarHBondContact O-CB 3.49Å; Q179-M183 VanDerWaalsContact O-CG 3.24Å; Q179-M183 WeakPolarHBondContact O-CG 3.5Å; Q179-M183 PolarHBondContact O-N 2.97Å; Q180-M183 PolarHBondContact O-N 3.08Å; M183-I185 VanDerWaalsContact C-N 3.32Å; M183-I185 PolarHBondContact O-N 3.1Å; M183-N186 PolarHBondContact O-N 2.98Å; M183-E187 PolarHBondContact O-N 2.92Å
184E56.9Low56.8Low104 Ų104114 Ų11449%0.48656%0.564SS.*Hα-helixtrans-61-38.1177-85.5-150.4-174.500112.6Q180 D181 E187 K188Q180-E184 PolarHBondContact O-N 3.4Å; D181-E184 PolarHBondContact O-N 3.12Å; E184-E187 PolarHBondContact O-N 2.87Å; E184-K188 WeakPolarHBondContact O-CB 3.05Å; E184-K188 WeakPolarHBondContact O-CD 3.49Å; E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.23Å; E184-K188 VanDerWaalsContact OE2-CE 3.26Å; E184-K188 WeakPolarHBondContact OE2-CE 3.47Å; E184-K188 IonicContact OE2-NZ 3.59Å; E184-K188 PolarHBondContact OE2-NZ 3.46Å
185I55Low53.8Low96 Ų96120.9 Ų120.949%0.49259%0.594SS.*Hα-helixtrans-65.4-42.9176.2-70.8163.3000110.8D181 M183 K188 N189D181-I185 WeakPolarHBondContact O-CB 3.26Å; D181-I185 WeakPolarHBondContact O-CD1 3.42Å; D181-I185 VanDerWaalsContact O-CG1 3.25Å; D181-I185 WeakPolarHBondContact O-CG1 3.5Å; D181-I185 PolarHBondContact O-N 3.11Å; M183-I185 VanDerWaalsContact C-N 3.32Å; M183-I185 PolarHBondContact O-N 3.1Å; I185-K188 PolarHBondContact O-N 2.9Å; I185-N189 VanDerWaalsContact O-CG 3.28Å; I185-N189 PolarHBondContact O-N 3.39Å; I185-N189 PolarHBondContact O-ND2 3.21Å
186N50.9Low51.1Low99 Ų99123.8 Ų123.853%0.52961%0.613SS.*Hα-helixtrans-67.8-33.6176.6-77.4-47.1000113.1S182 M183 N190S182-N186 PolarHBondContact O-N 2.95Å; S182-N186 PolarHBondContact O-ND2 2.99Å; M183-N186 PolarHBondContact O-N 2.98Å; N186-N190 PolarHBondContact O-ND2 3.2Å
187E50Low48.3Very low113 Ų113128.1 Ų128.153%0.52863%0.629SS.*Hα-helixtrans-64.8-47.5169.9-90.6-111.2134.900112.1M183 E184 N189 N190 K191M183-E187 PolarHBondContact O-N 2.92Å; E184-E187 PolarHBondContact O-N 2.87Å; E187-N189 VanDerWaalsContact C-N 3.3Å; E187-N189 PolarHBondContact O-N 3.45Å; E187-N190 PolarHBondContact O-N 2.85Å; E187-N190 VanDerWaalsContact O-N 3.14Å; E187-K191 IonicContact OE1-NZ 2.95Å; E187-K191 PolarHBondContact OE1-NZ 2.93Å; E187-K191 IonicContact OE2-NZ 3.29Å; E187-K191 PolarHBondContact OE2-NZ 3.45Å
188K46.6Very low46Very low134 Ų134130.9 Ų130.958%0.58365%0.646SS**Hα-helixtrans-63.7-33.9-179.1-74162-168.6165.40112.4E184 I185 N190E184-K188 WeakPolarHBondContact O-CB 3.05Å; E184-K188 WeakPolarHBondContact O-CD 3.49Å; E184-K188 WeakPolarHBondContact O-CG 3.41Å; E184-K188 PolarHBondContact O-N 3.23Å; E184-K188 VanDerWaalsContact OE2-CE 3.26Å; E184-K188 WeakPolarHBondContact OE2-CE 3.47Å; E184-K188 IonicContact OE2-NZ 3.59Å; E184-K188 PolarHBondContact OE2-NZ 3.46Å; I185-K188 PolarHBondContact O-N 2.9Å; K188-N190 VanDerWaalsContact C-N 3.29Å; K188-N190 PolarHBondContact O-N 3.45Å
189N43.3Very low43.5Very low120 Ų120131 Ų13164%0.64265%0.65SS**Hα-helixtrans-70.3-20.2176.2-72.9-23.9000113.9I185 E187I185-N189 VanDerWaalsContact O-CG 3.28Å; I185-N189 PolarHBondContact O-N 3.39Å; I185-N189 PolarHBondContact O-ND2 3.21Å; E187-N189 VanDerWaalsContact C-N 3.3Å; E187-N189 PolarHBondContact O-N 3.45Å
190N39.5Very low41.2Very low133 Ų133137.5 Ų137.571%0.71167%0.672SS**THydrogen-bonded Turntrans-106.87.9-171.5-79.3-56.9000115.2N186 E187 K188N186-N190 PolarHBondContact O-ND2 3.2Å; E187-N190 PolarHBondContact O-N 2.85Å; E187-N190 VanDerWaalsContact O-N 3.14Å; K188-N190 VanDerWaalsContact C-N 3.29Å; K188-N190 PolarHBondContact O-N 3.45Å
191K33.1Very low39Very low125 Ų125136.2 Ų136.254%0.54368%0.675SS.*SBendtrans-118.8121.3179.6-71.9169.4-173.6169.90110.7E187E187-K191 IonicContact OE1-NZ 2.95Å; E187-K191 PolarHBondContact OE1-NZ 2.93Å; E187-K191 IonicContact OE2-NZ 3.29Å; E187-K191 PolarHBondContact OE2-NZ 3.45Å
192P29.3Very low37Very low126 Ų126141 Ų14182%0.81869%0.691SS**  trans-70.2140.4-171.327.7-34.9000112.5K194P192-K194 PolarHBondContact O-N 3.24Å
193Q26.3Very low35.3Very low201 Ų201149.5 Ų149.594%0.93972%0.717SS**  trans-61119.5-173.3-64176.5-5.300112.6
194K29.3Very low33.6Very low198 Ų198151.7 Ų151.786%0.86173%0.73SS**  trans-127.2146.4161.8-91.2-174.4173.8179.10110.1P192 L196P192-K194 PolarHBondContact O-N 3.24Å; K194-L196 PolarHBondContact O-N 2.63Å
195H25Very low31.9Very low191 Ų191150.3 Ų150.388%0.88474%0.743SS**  trans-50120.2-170.3-75.9-91.6000114.2
196L27.5Very low30.2Very low161 Ų161152 Ų15284%0.84376%0.762SS**  trans-92.689.9156.8-85.7161.3000109.2K194K194-L196 PolarHBondContact O-N 2.63Å
197K23.8Very low28.8Very low170 Ų170153.4 Ų153.474%0.73977%0.77SS**  trans-98.6160.3141.4-81.3-169.8172.7-174.10107.9
198D24.4Very low27.5Very low142 Ų142155.8 Ų155.876%0.75978%0.781SS**  trans62.396.5165.9-46.4-33.4000116.1
199N25.2Very low26.2Very low124 Ų124155.7 Ų155.766%0.66379%0.791SS**  trans-161.852152.2-108-47.9000112.6S201N199-S201 PolarHBondContact O-N 2.68Å; N199-S201 PolarHBondContact OD1-OG 2.9Å
200Y23.4Very low25.2Very low253 Ų253157.3 Ų157.399%0.99280%0.798SS**  trans-7649.6166.5-96.1-83.7000111.3
201S23.9Very low24.3Very low88 Ų88156.5 Ų156.562%0.61579%0.794SS**  trans-158.460.3-172.354.20000112.8N199N199-S201 PolarHBondContact O-N 2.68Å; N199-S201 PolarHBondContact OD1-OG 2.9Å
202K26.3Very low23.7Very low195 Ų195158.3 Ų158.385%0.84881%0.805SS**  trans-1323.3166.2-146.4176.9-179.1-177.30114.8
203Y23.6Very low23.2Very low237 Ų237160.6 Ų160.693%0.92980%0.804SS**SBendtrans-102.646.4173.1-74.3-74.7000112
204L22.7Very low23.1Very low175 Ų175157.6 Ų157.692%0.91679%0.794SS**SBendtrans-176.6124.5168-104.3154.6000107.5
205G21.8Very low22.7Very low75 Ų75154.8 Ų154.877%0.77378%0.783SS**  trans147.774-178.700000113.4N207G205-N207 PolarHBondContact O-N 2.88Å
206C18.6Very low22.5Very low131 Ų131153.4 Ų153.489%0.88578%0.777SS**  trans-76.6116.9162.2-62.20000108.5
207N20.9Very low22.2Very low130 Ų130155.5 Ų155.570%0.69578%0.782SS**  trans-169.9146.8161.8-99.714.7000105.1G205G205-N207 PolarHBondContact O-N 2.88Å
208E23.3Very low22Very low163 Ų163152.8 Ų152.876%0.76278%0.781SS**  cis-150.6168.51.3-121.5146.8164.500109.3
209V19.7Very low21.7Very low132 Ų132152.8 Ų152.880%0.878%0.78SS**  trans-77.2133.4164.7171.70000108.3
210I20.9Very low21.5Very low153 Ų153153.5 Ų153.579%0.78579%0.793SS**  trans-164.1129.6143.2-101.7148.6000111.3
211D21.1Very low21.2Very low116 Ų116149.3 Ų149.362%0.6278%0.783SS**  trans14.3135.9158.4-55.6-52.8000124.4
212Q20.2Very low21Very low164 Ų164151.8 Ų151.877%0.76679%0.789SS**  27.7127.7122.6-45.8174.69.300118.7
213H20.6Very low20.8Very low173 Ų173147.1 Ų147.180%0.80179%0.787SS**  -172.8171.6123.3-106.172.5000111.5
214L23Very low20.6Very low139 Ų139141.5 Ų141.573%0.72878%0.783SS**  trans95.289.6167.4-51.5177000118.1
215H21.2Very low20.6Very low139 Ų139140.8 Ų140.864%0.64478%0.78SS**  trans54.9115137.2-55.6-64.2000119.4
216E19.7Very low20.5Very low162 Ų162145 Ų14576%0.75778%0.779SS**  72.192.869.3-68.2173.616200113
217E22.1Very low20.6Very low204 Ų204145.7 Ų145.795%0.95377%0.774SS**  trans-106.8145.2145.3-72.5-169.9143.200107.8
218T20.2Very low20.5Very low114 Ų114149.3 Ų149.370%0.69978%0.783SS**  trans-107.1153.1-157.839.20000115.5
219D17.7Very low20.2Very low141 Ų141146.8 Ų146.875%0.75478%0.784SS**  trans49.798.5144.8-51.4-24.8000119.5
220C20.5Very low20.3Very low139 Ų139145.9 Ų145.994%0.93978%0.781SS**  trans-132.3121.1140.9-84.50000108.8
221E18.1Very low20.1Very low166 Ų166144.1 Ų144.178%0.77678%0.782SS**  trans-87.7168.4-169.9-58.3-172.9137.900115
222N19.8Very low20Very low140 Ų140146 Ų14675%0.74979%0.79SS**  trans85.3160.1146.6-66.5-49000120.3
223A21.2Very low19.9Very low97 Ų97142.6 Ų142.680%0.80279%0.785SS**  trans66.573.5176.100000116.5
224S19.1Very low19.8Very low119 Ų119140 Ų14083%0.83279%0.786SS**  trans-48138149.253.50000112.6
225D22.2Very low19.7Very low160 Ų160142.4 Ų142.486%0.85679%0.793SS**  trans-143.3158.3147.5-143.6-24.9000111.3
226H21Very low19.6Very low164 Ų164145 Ų14576%0.75980%0.803SS**  trans-85.1141.3-156.8-85.6-80000116.1K228H226-K228 PolarHBondContact O-N 3.27Å
227N19.4Very low19.6Very low145 Ų145145.6 Ų145.678%0.77581%0.806SS**  trans11.5108.1141-67.7-17.8000117.3
228K19.8Very low19.4Very low205 Ų205142.7 Ų142.789%0.89180%0.797SS**  trans-156.394145.6-110.2151-170.9171.30111.9H226 P230H226-K228 PolarHBondContact O-N 3.27Å; K228-P230 WeakPolarHBondContact O-CD 3.34Å
229S17.7Very low19.4Very low110 Ų110143.8 Ų143.877%0.76980%0.797SS**  trans-76.4121157.240.50000109.3S231S229-S231 PolarHBondContact O-N 3.24Å
230P20.8Very low19.5Very low114 Ų114144.4 Ų144.474%0.7480%0.795SS**  trans-89.781.3173.334.3-31.3000110K228 I232K228-P230 WeakPolarHBondContact O-CD 3.34Å; P230-I232 PolarHBondContact O-N 3.12Å; P230-I232 VanDerWaalsContact O-N 3.08Å
231S17.4Very low19.5Very low116 Ų116145.9 Ų145.981%0.81179%0.793SS**  trans-74.591164.857.50000109.3S229S229-S231 PolarHBondContact O-N 3.24Å
232I19.3Very low19.6Very low154 Ų154144.6 Ų144.679%0.7979%0.791SS**  trans-103.9127.2171.8-65-178.2000109.3P230P230-I232 PolarHBondContact O-N 3.12Å; P230-I232 VanDerWaalsContact O-N 3.08Å
233S17.8Very low19.7Very low94 Ų94141 Ų14166%0.65779%0.788SS**  trans-75.3154.7-176.750.20000113.1E235S233-E235 PolarHBondContact O-N 3.46Å
234S18.8Very low19.8Very low117 Ų117145.6 Ų145.682%0.81879%0.792SS**  trans-27.1117.3162.555.20000115.8
235E19.3Very low20Very low190 Ų190149.2 Ų149.289%0.88879%0.789SS**  trans-112.4143.6153.8-73.9-157.9132.100110.4S233S233-E235 PolarHBondContact O-N 3.46Å
236K19.5Very low20.3Very low193 Ų193148.7 Ų148.784%0.83979%0.786SS**  trans-88.5120.1179.4-60.9170.1-178.1173.70108.8
237Q19.7Very low20.5Very low175 Ų175148.9 Ų148.982%0.81879%0.787SS**  trans-98.595.5160.6-72-168.8-10.600109.5I239Q237-I239 PolarHBondContact O-N 3.49Å
238N17.8Very low20.9Very low143 Ų143147.4 Ų147.477%0.76578%0.778SS**  trans-65.8121.6159-67.1-12.4000107.2
239I20.8Very low21.3Very low138 Ų138143.3 Ų143.371%0.70877%0.766SS**  trans-108.5104.4166.7-63.2-179.7000107.1Q237Q237-I239 PolarHBondContact O-N 3.49Å
240E18.8Very low21.8Very low154 Ų154141 Ų14172%0.7275%0.753SS**  trans-75.1124.9173.5-60.7-176.2150.500109.8
241L21.5Very low22.2Very low169 Ų169139.8 Ų139.889%0.88574%0.744SS**  trans-109.668.1166.8-80.7168.1000109.9G243L241-G243 PolarHBondContact O-N 3.46Å
242N19.6Very low22.8Very low139 Ų139137.9 Ų137.974%0.74373%0.727SS**  trans-67.8117.8166.5-78.7-52.3000109.3
243G21.8Very low23.2Very low66 Ų66133.9 Ų133.968%0.6871%0.713SS**  trans177.68.7179.200000123L241L241-G243 PolarHBondContact O-N 3.46Å
244H24Very low23.7Very low193 Ų193136.8 Ų136.889%0.89471%0.714SS**  trans-140.786.3173.5-90.810.5000111.7
245Y22.8Very low24.2Very low194 Ų194136.5 Ų136.576%0.76170%0.702SS**  trans-132.5-7.7179.5-107.8-75.4000115.6
246N27.8Very low24.7Very low149 Ų149131.6 Ų131.680%0.79769%0.689SS**SBendtrans-98.60.6-160.6-68.317000116.4
247E25.4Very low25.2Very low168 Ų168125.8 Ų125.879%0.78567%0.673SS**SBendtrans-90.8-23.6179.2-66.1-166.5139.700114
248I28.8Very low25.6Very low115 Ų115123.1 Ų123.159%0.5966%0.664SS**Hα-helixtrans-70.4-39.6-174.6-63.2177.4000111.5A250 V251 T252I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 3.26Å; I248-V251 PolarHBondContact O-N 2.99Å; I248-T252 HydrophobicContact CG2-CG2 4.47Å; I248-T252 PolarHBondContact O-N 2.82Å; I248-T252 VanDerWaalsContact O-N 3.16Å; I248-T252 PolarHBondContact O-OG1 3.02Å
249D27.4Very low26.2Very low118 Ų118123.7 Ų123.763%0.63167%0.667SS**Hα-helixtrans-70.2-25.3-176.6-70.2-24.1000113.3T252 S253D249-T252 WeakPolarHBondContact CA-OG1 3.21Å; D249-T252 PolarHBondContact O-OG1 3.32Å; D249-S253 WeakPolarHBondContact O-CB 3.35Å; D249-S253 PolarHBondContact O-N 3.43Å
250A28.2Very low26.6Very low61 Ų61122.4 Ų122.450%0.50467%0.67SS.*Hα-helixtrans-63.7-45.2171.200000111I248 S253 F254I248-A250 VanDerWaalsContact C-N 3.3Å; I248-A250 PolarHBondContact O-N 3.26Å; A250-S253 PolarHBondContact O-N 3.15Å; A250-S253 PolarHBondContact O-OG 2.81Å; A250-F254 PolarHBondContact O-N 3.18Å
251V29.1Very low26.9Very low90 Ų90119.3 Ų119.355%0.54567%0.665SS.*Hα-helixtrans-70.8-40.7-176.7-178.20000111.9I248 S253 F254 I255I248-V251 PolarHBondContact O-N 2.99Å; V251-S253 VanDerWaalsContact C-N 3.33Å; V251-S253 PolarHBondContact O-N 2.95Å; V251-F254 PolarHBondContact O-N 2.66Å; V251-I255 HydrophobicContact CG1-CD1 4.02Å; V251-I255 WeakPolarHBondContact O-CG1 3.41Å; V251-I255 PolarHBondContact O-N 3.48Å
252T29.9Very low27.3Very low75 Ų75118 Ų11846%0.4666%0.658SS.*Hα-helixtrans-65.9-34.917754.20000112.2I248 D249 F254 I255 S256I248-T252 HydrophobicContact CG2-CG2 4.47Å; I248-T252 PolarHBondContact O-N 2.82Å; I248-T252 VanDerWaalsContact O-N 3.16Å; I248-T252 PolarHBondContact O-OG1 3.02Å; D249-T252 WeakPolarHBondContact CA-OG1 3.21Å; D249-T252 PolarHBondContact O-OG1 3.32Å; T252-F254 VanDerWaalsContact C-N 3.34Å; T252-F254 PolarHBondContact O-N 2.94Å; T252-I255 PolarHBondContact O-N 2.97Å; T252-S256 PolarHBondContact O-N 2.93Å
253S28.4Very low28.1Very low70 Ų70117 Ų11749%0.4966%0.661SS.*Hα-helixtrans-61.4-40.5173.782.20000112.4D249 A250 V251 S256D249-S253 WeakPolarHBondContact O-CB 3.35Å; D249-S253 PolarHBondContact O-N 3.43Å; A250-S253 PolarHBondContact O-N 3.15Å; A250-S253 PolarHBondContact O-OG 2.81Å; V251-S253 VanDerWaalsContact C-N 3.33Å; V251-S253 PolarHBondContact O-N 2.95Å; S253-S256 PolarHBondContact O-N 3.44Å; S253-S256 PolarHBondContact O-OG 2.72Å
254F27.6Very low28.5Very low155 Ų155118.3 Ų118.368%0.6866%0.656SS**Hα-helixtrans-72-33.2-176.8-160.8-92.1000112.8A250 V251 T252 S257A250-F254 PolarHBondContact O-N 3.18Å; V251-F254 PolarHBondContact O-N 2.66Å; T252-F254 VanDerWaalsContact C-N 3.34Å; T252-F254 PolarHBondContact O-N 2.94Å; F254-S257 PolarHBondContact O-OG 3.03Å; F254-S257 VanDerWaalsContact O-OG 3.08Å
255I29.7Very low29.1Very low111 Ų111114.2 Ų114.257%0.56964%0.64SS**Hα-helixtrans-74.2-35.1178.5-65.5168.8000111.6V251 T252 S257V251-I255 HydrophobicContact CG1-CD1 4.02Å; V251-I255 WeakPolarHBondContact O-CG1 3.41Å; V251-I255 PolarHBondContact O-N 3.48Å; T252-I255 PolarHBondContact O-N 2.97Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 2.96Å
256S30.9Very low29.5Very low87 Ų87113.4 Ų113.461%0.60864%0.643SS**Hα-helixtrans-67.5-28.5-173.770.60000114.3T252 S253 N258T252-S256 PolarHBondContact O-N 2.93Å; S253-S256 PolarHBondContact O-N 3.44Å; S253-S256 PolarHBondContact O-OG 2.72Å; S256-N258 PolarHBondContact O-N 3.19Å
257S29.6Very low29.8Very low71 Ų71114.5 Ų114.550%0.49764%0.644SS.*G310 helixtrans-68-33.9-178.261.60000114.2F254 I255 S260F254-S257 PolarHBondContact O-OG 3.03Å; F254-S257 VanDerWaalsContact O-OG 3.08Å; I255-S257 VanDerWaalsContact C-N 3.33Å; I255-S257 PolarHBondContact O-N 2.96Å; S257-S260 PolarHBondContact O-OG 3.4Å
258N26.8Very low29.9Very low120 Ų120112.6 Ų112.664%0.64263%0.633SS**G310 helixtrans-89.6-4.7-168.9-74.2-61000114.9S256S256-N258 PolarHBondContact O-N 3.19Å
259L31.5Very low29.9Very low155 Ų155109.1 Ų109.181%0.81262%0.619SS**G310 helixtrans-93.25.1-174.6-143.875000114.5S261L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.28Å
260S28.3Very low30.2Very low111 Ų111110.6 Ų110.678%0.77662%0.622SS**SBendtrans-8515.5-168.8580000115.6S257S257-S260 PolarHBondContact O-OG 3.4Å
261S26.9Very low30.5Very low89 Ų89111.5 Ų111.562%0.62262%0.622SS**  trans-141.1148.7-175.376.60000115.3L259L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.28Å
262I29Very low30.6Very low142 Ų142111.3 Ų111.373%0.72862%0.616SS**  trans78.2111172.9-52.1177.3000115.8T264I262-T264 HydrophobicContact CG2-CG2 4.49Å
263S36Very low30.6Very low116 Ų116113.4 Ų113.481%0.81162%0.621SS**  trans-103.174.7-168.356.50000113.7
264T31Very low30.9Very low94 Ų94112.9 Ų112.958%0.57762%0.617SS**  trans-127.154.5172.967.60000110.6I262I262-T264 HydrophobicContact CG2-CG2 4.49Å
265L35.7Very low31Very low108 Ų108112.8 Ų112.857%0.56561%0.614SS**  trans-102.4-15.3-153.4-108.1166.9000117.2S269L265-S269 VanDerWaalsContact O-CB 3.28Å; L265-S269 WeakPolarHBondContact O-CB 3.3Å; L265-S269 PolarHBondContact O-N 3.47Å; L265-S269 PolarHBondContact O-OG 2.98Å
266Q31.6Very low31Very low176 Ų176112 Ų11282%0.82261%0.61SS**Hα-helixtrans-71.6-42.8-172.9-84.4-176.6-54.400114.9S269Q266-S269 PolarHBondContact O-OG 3.09Å; Q266-S269 VanDerWaalsContact O-OG 3.05Å
267E33.9Very low31.1Very low172 Ų172112.8 Ų112.880%0.80461%0.607SS**Hα-helixtrans-71.4-40.2175.7-65.4-177.3145.900110.8S269 Q270 T271E267-S269 VanDerWaalsContact C-N 3.34Å; E267-S269 PolarHBondContact O-N 3.29Å; E267-Q270 PolarHBondContact O-N 2.93Å; E267-T271 PolarHBondContact O-OG1 3.06Å
268K28.6Very low31.3Very low128 Ų128113.3 Ų113.356%0.55760%0.604SS**Hα-helixtrans-65.6-31.9176.6-73.4-176.4176.2177.40113.1Q270 T271 I272K268-Q270 VanDerWaalsContact C-N 3.31Å; K268-Q270 PolarHBondContact O-N 3.42Å; K268-T271 PolarHBondContact O-N 3.36Å; K268-I272 HydrophobicContact CB-CD1 4.27Å; K268-I272 WeakPolarHBondContact O-CB 3.39Å; K268-I272 WeakPolarHBondContact O-CD1 3.36Å; K268-I272 WeakPolarHBondContact O-CG1 3.21Å; K268-I272 PolarHBondContact O-N 3.45Å
269S28.7Very low31.4Very low43 Ų43111.1 Ų111.130%0.30159%0.592SS.*Hα-helixtrans-66-33.5-179.469.20000112.3L265 Q266 E267 I272 Q273L265-S269 VanDerWaalsContact O-CB 3.28Å; L265-S269 WeakPolarHBondContact O-CB 3.3Å; L265-S269 PolarHBondContact O-N 3.47Å; L265-S269 PolarHBondContact O-OG 2.98Å; Q266-S269 PolarHBondContact O-OG 3.09Å; Q266-S269 VanDerWaalsContact O-OG 3.05Å; E267-S269 VanDerWaalsContact C-N 3.34Å; E267-S269 PolarHBondContact O-N 3.29Å; S269-I272 PolarHBondContact O-N 3.38Å; S269-Q273 WeakPolarHBondContact O-CB 3.49Å; S269-Q273 WeakPolarHBondContact O-CG 3.45Å; S269-Q273 PolarHBondContact O-N 3.22Å
270Q33.3Very low31.4Very low149 Ų149109.6 Ų109.670%0.69658%0.581SS**Hα-helixtrans-67.1-44.7175.4-65.7-171.6-4.900111.7E267 K268 I272 Q273 S274E267-Q270 PolarHBondContact O-N 2.93Å; K268-Q270 VanDerWaalsContact C-N 3.31Å; K268-Q270 PolarHBondContact O-N 3.42Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 3.47Å; Q270-Q273 PolarHBondContact O-N 3.28Å; Q270-S274 PolarHBondContact O-N 2.76Å; Q270-S274 VanDerWaalsContact O-N 3.08Å
271T33.7Very low31.7Very low80 Ų80110.5 Ų110.549%0.49157%0.573SS.*Hα-helixtrans-66-35.6174.8-33.60000112E267 K268 S274 Y275E267-T271 PolarHBondContact O-OG1 3.06Å; K268-T271 PolarHBondContact O-N 3.36Å; T271-S274 PolarHBondContact O-OG 2.89Å; T271-Y275 HydrophobicContact CG2-CD2 4.39Å; T271-Y275 WeakPolarHBondContact O-CB 3.47Å; T271-Y275 WeakPolarHBondContact O-CD2 3.25Å; T271-Y275 PolarHBondContact O-N 2.72Å; T271-Y275 VanDerWaalsContact O-N 3.08Å
272I30.7Very low31.9Very low85 Ų85110.3 Ų110.344%0.43656%0.564SS.*Hα-helixtrans-71.4-35.2176.2-70.3165.8000110.9K268 S269 Q270 Y275 L276K268-I272 HydrophobicContact CB-CD1 4.27Å; K268-I272 WeakPolarHBondContact O-CB 3.39Å; K268-I272 WeakPolarHBondContact O-CD1 3.36Å; K268-I272 WeakPolarHBondContact O-CG1 3.21Å; K268-I272 PolarHBondContact O-N 3.45Å; S269-I272 PolarHBondContact O-N 3.38Å; Q270-I272 VanDerWaalsContact C-N 3.33Å; Q270-I272 PolarHBondContact O-N 3.47Å; I272-Y275 CarbonylContact O-C 3.59Å; I272-Y275 PolarHBondContact O-N 3.45Å; I272-L276 HydrophobicContact CG2-CD1 3.8Å; I272-L276 HydrophobicContact CG2-CG 4.17Å; I272-L276 VanDerWaalsContact O-CB 3.3Å; I272-L276 WeakPolarHBondContact O-CB 3.2Å; I272-L276 VanDerWaalsContact O-CG 3.25Å; I272-L276 WeakPolarHBondContact O-CG 3.12Å; I272-L276 PolarHBondContact O-N 3.08Å
273Q30.4Very low31.9Very low119 Ų119111.4 Ų111.456%0.55656%0.559SS**Hα-helixtrans-69.9-36.2175.3-79.1-179.9-87.100112.8S269 Q270 L276 N277S269-Q273 WeakPolarHBondContact O-CB 3.49Å; S269-Q273 WeakPolarHBondContact O-CG 3.45Å; S269-Q273 PolarHBondContact O-N 3.22Å; Q270-Q273 PolarHBondContact O-N 3.28Å; Q273-L276 PolarHBondContact O-N 3.45Å; Q273-N277 WeakPolarHBondContact O-CB 3.06Å; Q273-N277 PolarHBondContact O-N 3.43Å; Q273-N277 PolarHBondContact O-OD1 3.05Å
274S35.8Very low31.7Very low59 Ų59109.8 Ų109.841%0.41355%0.545SS..Hα-helixtrans-66-43.1170.461.50000111.6Q270 T271 L276 N277 I278Q270-S274 PolarHBondContact O-N 2.76Å; Q270-S274 VanDerWaalsContact O-N 3.08Å; T271-S274 PolarHBondContact O-OG 2.89Å; S274-L276 VanDerWaalsContact C-N 3.33Å; S274-L276 PolarHBondContact O-N 3.24Å; S274-N277 PolarHBondContact O-N 2.99Å; S274-I278 WeakPolarHBondContact O-CB 2.97Å; S274-I278 WeakPolarHBondContact O-CD1 3.3Å; S274-I278 VanDerWaalsContact O-CG1 3.25Å; S274-I278 WeakPolarHBondContact O-CG1 3.29Å; S274-I278 PolarHBondContact O-N 2.8Å
275Y29Very low31.7Very low154 Ų154111.1 Ų111.160%0.60455%0.546SS*.Hα-helixtrans-63.4-33173.2-97.9-87.5000113.8T271 I272 N279T271-Y275 HydrophobicContact CG2-CD2 4.39Å; T271-Y275 WeakPolarHBondContact O-CB 3.47Å; T271-Y275 WeakPolarHBondContact O-CD2 3.25Å; T271-Y275 PolarHBondContact O-N 2.72Å; T271-Y275 VanDerWaalsContact O-N 3.08Å; I272-Y275 CarbonylContact O-C 3.59Å; I272-Y275 PolarHBondContact O-N 3.45Å; Y275-N279 WeakPolarHBondContact O-CB 3.45Å; Y275-N279 PolarHBondContact O-N 3.21Å; Y275-N279 PolarHBondContact O-ND2 2.66Å
276L29.1Very low31.3Very low95 Ų95114.5 Ų114.550%0.49755%0.551SS.*Hα-helixtrans-72.8-44.1175.9-78.8170.5000111.3I272 Q273 S274 I278 N279 E280I272-L276 HydrophobicContact CG2-CD1 3.8Å; I272-L276 HydrophobicContact CG2-CG 4.17Å; I272-L276 VanDerWaalsContact O-CB 3.3Å; I272-L276 WeakPolarHBondContact O-CB 3.2Å; I272-L276 VanDerWaalsContact O-CG 3.25Å; I272-L276 WeakPolarHBondContact O-CG 3.12Å; I272-L276 PolarHBondContact O-N 3.08Å; Q273-L276 PolarHBondContact O-N 3.45Å; S274-L276 VanDerWaalsContact C-N 3.33Å; S274-L276 PolarHBondContact O-N 3.24Å; L276-I278 VanDerWaalsContact C-N 3.35Å; L276-I278 PolarHBondContact O-N 2.6Å; L276-N279 CarbonylContact O-C 3.46Å; L276-N279 WeakPolarHBondContact O-CA 3.32Å; L276-N279 PolarHBondContact O-N 3.37Å; L276-E280 WeakPolarHBondContact O-CG 3.08Å; L276-E280 PolarHBondContact O-N 3.25Å
277N33.9Very low31Very low102 Ų102113.7 Ų113.755%0.54555%0.545SS..Hα-helixtrans-58.9-46.1174.1-75.114.9000111.2Q273 S274 N279 E280 E281Q273-N277 WeakPolarHBondContact O-CB 3.06Å; Q273-N277 PolarHBondContact O-N 3.43Å; Q273-N277 PolarHBondContact O-OD1 3.05Å; S274-N277 PolarHBondContact O-N 2.99Å; N277-N279 VanDerWaalsContact C-N 3.26Å; N277-N279 PolarHBondContact O-N 2.81Å; N277-E280 PolarHBondContact O-N 3.27Å; N277-E281 PolarHBondContact O-N 3.21Å
278I33.5Very low30.8Very low83 Ų83112 Ų11243%0.42654%0.539SS..Hα-helixtrans-58.8-38.5174.1-68.2164.7000110.9S274 L276 L282S274-I278 WeakPolarHBondContact O-CB 2.97Å; S274-I278 WeakPolarHBondContact O-CD1 3.3Å; S274-I278 VanDerWaalsContact O-CG1 3.25Å; S274-I278 WeakPolarHBondContact O-CG1 3.29Å; S274-I278 PolarHBondContact O-N 2.8Å; L276-I278 VanDerWaalsContact C-N 3.35Å; L276-I278 PolarHBondContact O-N 2.6Å; I278-L282 HydrophobicContact CG2-CD1 3.97Å; I278-L282 VanDerWaalsContact O-CB 3.31Å; I278-L282 WeakPolarHBondContact O-CB 3.35Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 3.42Å
279N28.5Very low30.8Very low73 Ų73113.2 Ų113.239%0.3954%0.544SS..Hα-helixtrans-74.4-26.1175.5-85.9-76.7000113.9Y275 L276 N277 R283Y275-N279 WeakPolarHBondContact O-CB 3.45Å; Y275-N279 PolarHBondContact O-N 3.21Å; Y275-N279 PolarHBondContact O-ND2 2.66Å; L276-N279 CarbonylContact O-C 3.46Å; L276-N279 WeakPolarHBondContact O-CA 3.32Å; L276-N279 PolarHBondContact O-N 3.37Å; N277-N279 VanDerWaalsContact C-N 3.26Å; N277-N279 PolarHBondContact O-N 2.81Å; N279-R283 VanDerWaalsContact O-CB 3.25Å; N279-R283 WeakPolarHBondContact O-CB 3.45Å; N279-R283 WeakPolarHBondContact O-CD 3.22Å; N279-R283 WeakPolarHBondContact O-CG 3.28Å; N279-R283 PolarHBondContact O-N 2.73Å
280E32.3Very low30.7Very low123 Ų123116.3 Ų116.358%0.57556%0.557SS**Hα-helixtrans-74.4-41.6171.2-66.3-139.8131.800111.3L276 N277 R283 T284L276-E280 WeakPolarHBondContact O-CG 3.08Å; L276-E280 PolarHBondContact O-N 3.25Å; N277-E280 PolarHBondContact O-N 3.27Å; E280-R283 CarbonylContact O-C 3.51Å; E280-R283 WeakPolarHBondContact O-CA 3.3Å; E280-R283 WeakPolarHBondContact O-CB 2.89Å; E280-R283 PolarHBondContact O-N 2.69Å; E280-T284 PolarHBondContact O-N 2.73Å; E280-T284 PolarHBondContact O-OG1 3.31Å
281E34.8Very low30.4Very low130 Ų130115.6 Ų115.661%0.60756%0.558SS**Hα-helixtrans-61.3-43.4170.2-70.5-177.7151.200111.6N277 R283 T284 M285N277-E281 PolarHBondContact O-N 3.21Å; E281-R283 VanDerWaalsContact C-N 3.27Å; E281-R283 PolarHBondContact O-N 2.73Å; E281-T284 WeakPolarHBondContact CA-OG1 3.08Å; E281-T284 PolarHBondContact O-N 2.61Å; E281-T284 PolarHBondContact O-OG1 3.15Å; E281-M285 WeakPolarHBondContact O-CB 3.28Å; E281-M285 WeakPolarHBondContact O-CG 3.26Å; E281-M285 PolarHBondContact O-N 2.69Å
282L30.9Very low30.1Very low85 Ų85117.7 Ų117.745%0.44557%0.566SS.*Hα-helixtrans-66.1-27.1172.2-73170.1000112.8I278 R286I278-L282 HydrophobicContact CG2-CD1 3.97Å; I278-L282 VanDerWaalsContact O-CB 3.31Å; I278-L282 WeakPolarHBondContact O-CB 3.35Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 3.42Å; L282-R286 WeakPolarHBondContact O-CB 3.4Å; L282-R286 WeakPolarHBondContact O-CG 2.88Å; L282-R286 PolarHBondContact O-N 3.44Å
283R28.7Very low29.7Very low166 Ų166117.7 Ų117.763%0.62657%0.567SS**Hα-helixtrans-78.7-35.4174-82168.4171.1-171.4-2.8112.8N279 E280 E281 K287N279-R283 VanDerWaalsContact O-CB 3.25Å; N279-R283 WeakPolarHBondContact O-CB 3.45Å; N279-R283 WeakPolarHBondContact O-CD 3.22Å; N279-R283 WeakPolarHBondContact O-CG 3.28Å; N279-R283 PolarHBondContact O-N 2.73Å; E280-R283 CarbonylContact O-C 3.51Å; E280-R283 WeakPolarHBondContact O-CA 3.3Å; E280-R283 WeakPolarHBondContact O-CB 2.89Å; E280-R283 PolarHBondContact O-N 2.69Å; E281-R283 VanDerWaalsContact C-N 3.27Å; E281-R283 PolarHBondContact O-N 2.73Å; R283-K287 WeakPolarHBondContact O-CB 3.37Å; R283-K287 WeakPolarHBondContact O-CG 2.91Å; R283-K287 PolarHBondContact O-N 2.66Å
284T31.7Very low29.4Very low82 Ų82116.7 Ų116.750%0.50357%0.573SS.*Hα-helixtrans-70.8-43.2172.255.60000110.3E280 E281 R286 K287 M288E280-T284 PolarHBondContact O-N 2.73Å; E280-T284 PolarHBondContact O-OG1 3.31Å; E281-T284 WeakPolarHBondContact CA-OG1 3.08Å; E281-T284 PolarHBondContact O-N 2.61Å; E281-T284 PolarHBondContact O-OG1 3.15Å; T284-R286 PolarHBondContact O-N 2.7Å; T284-K287 PolarHBondContact O-N 2.73Å; T284-M288 WeakPolarHBondContact O-CG 3.33Å; T284-M288 PolarHBondContact O-N 3.39Å
285M29.7Very low28.9Very low122 Ų122120 Ų12060%0.60159%0.59SS**Hα-helixtrans-58-42.3170.2-74.2-81.8-92.100112.4E281 M288 K289E281-M285 WeakPolarHBondContact O-CB 3.28Å; E281-M285 WeakPolarHBondContact O-CG 3.26Å; E281-M285 PolarHBondContact O-N 2.69Å; M285-M288 PolarHBondContact O-N 3.07Å; M285-K289 PolarHBondContact O-N 2.76Å
286R27.3Very low28.5Very low178 Ų178118 Ų11867%0.67259%0.589SS**Hα-helixtrans-70.5-35.2174.6-78.6176.7177.4-169.8-0.4113.2L282 T284 K289 N290L282-R286 WeakPolarHBondContact O-CB 3.4Å; L282-R286 WeakPolarHBondContact O-CG 2.88Å; L282-R286 PolarHBondContact O-N 3.44Å; T284-R286 PolarHBondContact O-N 2.7Å; R286-K289 PolarHBondContact O-N 2.63Å; R286-N290 WeakPolarHBondContact O-CB 2.96Å; R286-N290 PolarHBondContact O-N 2.64Å; R286-N290 PolarHBondContact O-OD1 2.71Å
287K26.5Very low28.1Very low160 Ų160120.2 Ų120.270%0.69660%0.601SS**Hα-helixtrans-64.3-41.5171-81.2-176.7173.8-176.70111.8R283 T284 N290 N291R283-K287 WeakPolarHBondContact O-CB 3.37Å; R283-K287 WeakPolarHBondContact O-CG 2.91Å; R283-K287 PolarHBondContact O-N 2.66Å; T284-K287 PolarHBondContact O-N 2.73Å; K287-N290 PolarHBondContact O-N 3.47Å; K287-N291 PolarHBondContact O-N 3.33Å
288M29.1Very low27.6Very low137 Ų137126 Ų12668%0.67562%0.617SS**Hα-helixtrans-63.8-43.2172.6-73.3-173.8173.300111.9T284 M285 N291T284-M288 WeakPolarHBondContact O-CG 3.33Å; T284-M288 PolarHBondContact O-N 3.39Å; M285-M288 PolarHBondContact O-N 3.07Å; M288-N291 PolarHBondContact O-N 2.77Å
289K28.2Very low27.1Very low152 Ų152126.9 Ų126.966%0.66163%0.627SS**Hα-helixtrans-61-44.6174.1-85.3-169.6171.4-175.70112.5M285 R286 N291 N292 L293M285-K289 PolarHBondContact O-N 2.76Å; R286-K289 PolarHBondContact O-N 2.63Å; K289-N291 VanDerWaalsContact C-N 3.31Å; K289-N291 PolarHBondContact O-N 2.69Å; K289-N292 CarbonylContact O-C 3.55Å; K289-N292 PolarHBondContact O-N 3.24Å; K289-L293 PolarHBondContact O-N 2.78Å
290N26.6Very low26.8Very low109 Ų109130.4 Ų130.458%0.58365%0.645SS**Hα-helixtrans-63.2-34-178.2-80.322.9000113.1R286 K287 N292 L293R286-N290 WeakPolarHBondContact O-CB 2.96Å; R286-N290 PolarHBondContact O-N 2.64Å; R286-N290 PolarHBondContact O-OD1 2.71Å; K287-N290 PolarHBondContact O-N 3.47Å; N290-N292 PolarHBondContact O-N 3.29Å; N290-L293 PolarHBondContact O-N 3.36Å
291N27Very low26.4Very low133 Ų133131.5 Ų131.571%0.71165%0.65SS**Hα-helixtrans-63.8-30173.5-76.96.5000112.8K287 M288 K289 S294K287-N291 PolarHBondContact O-N 3.33Å; M288-N291 PolarHBondContact O-N 2.77Å; K289-N291 VanDerWaalsContact C-N 3.31Å; K289-N291 PolarHBondContact O-N 2.69Å; N291-S294 PolarHBondContact O-OG 3.26Å
292N27.3Very low25.9Very low124 Ų124132.4 Ų132.466%0.66366%0.659SS**Hα-helixtrans-91.1-14.7177.3-68.5-6.1000113.4K289 N290 S294K289-N292 CarbonylContact O-C 3.55Å; K289-N292 PolarHBondContact O-N 3.24Å; N290-N292 PolarHBondContact O-N 3.29Å; N292-S294 VanDerWaalsContact C-N 3.33Å; N292-S294 PolarHBondContact O-N 3.4Å
293L24.1Very low25.8Very low86 Ų86130.7 Ų130.745%0.4565%0.654SS.*Hα-helixtrans-79.1-15.8-174.2-151.174.7000113.5K289 N290 V295 L296K289-L293 PolarHBondContact O-N 2.78Å; N290-L293 PolarHBondContact O-N 3.36Å; L293-V295 PolarHBondContact O-N 3.06Å; L293-L296 HydrophobicContact CD1-CB 4.3Å; L293-L296 HydrophobicContact CD1-CD1 4.15Å; L293-L296 PolarHBondContact O-N 2.74Å
294S23.4Very low25.5Very low98 Ų98131.4 Ų131.469%0.68566%0.661SS**THydrogen-bonded Turntrans-57.8-16.9177.554.40000114.5N291 N292N291-S294 PolarHBondContact O-OG 3.26Å; N292-S294 VanDerWaalsContact C-N 3.33Å; N292-S294 PolarHBondContact O-N 3.4Å
295V24.2Very low25.4Very low128 Ų128130.1 Ų130.178%0.77665%0.653SS**THydrogen-bonded Turntrans-98.2-8.5178.9-173.60000112.5L293L293-V295 PolarHBondContact O-N 3.06Å
296L22.2Very low25.3Very low111 Ų111129.7 Ų129.758%0.58165%0.654SS**  trans-103.7-0.2-167.1-92163.7000116.4L293 Y298L293-L296 HydrophobicContact CD1-CB 4.3Å; L293-L296 HydrophobicContact CD1-CD1 4.15Å; L293-L296 PolarHBondContact O-N 2.74Å; L296-Y298 PolarHBondContact O-N 3.25Å
297N20.9Very low25.2Very low142 Ų142124.4 Ų124.476%0.75964%0.638SS**THydrogen-bonded Turntrans-71.439.5178.2-77.39.1000114.4
298Y22.9Very low25.2Very low223 Ų223122 Ų12288%0.87563%0.627SS**THydrogen-bonded Turntrans-137.87.9-179.8-128.7-80.4000115.2L296L296-Y298 PolarHBondContact O-N 3.25Å
299V23.8Very low25Very low103 Ų103120.8 Ų120.862%0.62462%0.62SS**  trans-135.748.8177.9-160.10000111.5H301V299-H301 PolarHBondContact O-N 2.85Å
300D21.4Very low24.9Very low147 Ų147117.9 Ų117.979%0.78661%0.611SS**  trans-97.167.2174.9-138.3-5.9000110.8
301H24.5Very low24.7Very low145 Ų145115 Ų11567%0.67160%0.598SS**  trans-126.8114.6168.7-89.7-62.4000109.4V299 S303V299-H301 PolarHBondContact O-N 2.85Å; H301-S303 PolarHBondContact O-N 2.88Å
302L23.2Very low24.6Very low150 Ų150112.1 Ų112.179%0.78558%0.581SS**  trans-70.889-174.5-77.970.4000112.2
303S28.3Very low24.4Very low49 Ų49111.6 Ų111.634%0.34358%0.577SS.*  trans-85.596.6153.561.50000109H301 T305 R464H301-S303 PolarHBondContact O-N 2.88Å; S303-T305 PolarHBondContact O-N 2.89Å; S303-R464 PolarHBondContact OG-NH1 2.81Å
304K24.4Very low24.4Very low181 Ų181114.6 Ų114.679%0.78758%0.583SS**  trans-66.3113.8165.3-75.5-174.1177.3-177.50108.4D306K304-D306 PolarHBondContact O-N 2.93Å
305T29.5Very low24.4Very low54 Ų54114.8 Ų114.833%0.33158%0.58SS.*  trans-85.1101.4169.7520000108.3S303 L307 M328S303-T305 PolarHBondContact O-N 2.89Å; T305-L307 PolarHBondContact O-N 3.43Å; T305-L307 VanDerWaalsContact O-N 3.13Å; T305-M328 HydrophobicContact CG2-CE 3.8Å
306D26.2Very low24.6Very low114 Ų114112 Ų11261%0.6156%0.56SS**  trans-71.7107.9176.9-79.3-7.9000109.6K304K304-D306 PolarHBondContact O-N 2.93Å
307L26.1Very low25.2Very low66 Ų66114.3 Ų114.335%0.34657%0.572SS.*EExtended strand (participates in β ladder)trans-96.3124.1178.8-70.6154.5000109T305 F327 M328 Y465T305-L307 PolarHBondContact O-N 3.43Å; T305-L307 VanDerWaalsContact O-N 3.13Å; L307-F327 WeakPolarHBondContact CA-O 3.34Å; L307-M328 HydrophobicContact CD2-CB 3.88Å; L307-M328 HydrophobicContact CD2-CG 3.87Å; L307-M328 HydrophobicContact CD2-SD 4.41Å; L307-Y465 HydrophobicContact CD1-CD2 3.83Å; L307-Y465 HydrophobicContact CD1-CE2 3.8Å; L307-Y465 HydrophobicContact CD2-CD2 3.88Å; L307-Y465 HydrophobicContact CD2-CE2 3.8Å; L307-Y465 HydrophobicContact CG-CE2 4.45Å
308K26.5Very low25.7Very low109 Ų109114.5 Ų114.547%0.47457%0.573SS.*EExtended strand (participates in β ladder)trans-99.9121.1177.4-66161.1-170.8161.90108.3F327 E329K308-F327 HydrophobicContact CB-CB 4.25Å; K308-F327 PolarHBondContact N-O 3.05Å; K308-F327 WeakPolarHBondContact O-CD2 2.96Å; K308-F327 PolarHBondContact O-N 3.48Å; K308-E329 VanDerWaalsContact NZ-CD 3.35Å; K308-E329 IonicContact NZ-OE1 3.15Å; K308-E329 PolarHBondContact NZ-OE1 3.22Å; K308-E329 IonicContact NZ-OE2 2.77Å; K308-E329 PolarHBondContact NZ-OE2 2.81Å
309E24.9Very low26Very low113 Ų113111.5 Ų111.553%0.52857%0.565SS.*EExtended strand (participates in β ladder)trans-96.2136-179.4-167.2-161.8132.800111.3T311 T324 Y326E309-T311 PolarHBondContact OE1-OG1 3.3Å; E309-T324 HydrophobicContact CG-CG2 3.44Å; E309-T324 VanDerWaalsContact CG-CG2 3.44Å; E309-T324 WeakPolarHBondContact OE1-CG2 2.91Å; E309-Y326 HydrophobicContact CB-CD1 4.26Å; E309-Y326 HydrophobicContact CB-CE1 4.26Å; E309-Y326 HydrophobicContact CG-CD1 4.05Å; E309-Y326 HydrophobicContact CG-CE1 3.78Å
310I24.7Very low26.1Very low90 Ų90111 Ų11146%0.46256%0.563SS.*EExtended strand (participates in β ladder)trans-129.6104.3164.1-53.9-176.3000109I312 Y325 F327I310-I312 HydrophobicContact CG2-CG1 4.18Å; I310-Y325 PolarHBondContact N-O 3.49Å; I310-Y325 WeakPolarHBondContact O-CB 3.31Å; I310-Y325 PolarHBondContact O-N 2.81Å; I310-F327 HydrophobicContact CB-CE2 4.02Å; I310-F327 HydrophobicContact CD1-CD2 4.29Å; I310-F327 HydrophobicContact CD1-CE2 3.62Å; I310-F327 HydrophobicContact CD1-CZ 4.16Å; I310-F327 HydrophobicContact CG1-CD2 4.18Å; I310-F327 HydrophobicContact CG1-CE2 3.74Å
311T24Very low26.5Very low49 Ų49107.3 Ų107.330%0.30154%0.543SS..EExtended strand (participates in β ladder)trans-86.6112.7173-76.90000110.8E309 I313 T324E309-T311 PolarHBondContact OE1-OG1 3.3Å; T311-I313 HydrophobicContact CG2-CG1 4.21Å; T311-T324 WeakPolarHBondContact OG1-CB 3.38Å; T311-T324 VanDerWaalsContact OG1-CG2 3.27Å; T311-T324 WeakPolarHBondContact OG1-CG2 3.09Å; T311-T324 PolarHBondContact OG1-OG1 3.42Å
312I23.8Very low26.6Very low73 Ų73105.6 Ų105.637%0.37454%0.538SS..EExtended strand (participates in β ladder)trans-97.1104.3173.9-55.3-177.6000108.4I310 W314 V323 Y325 F537I310-I312 HydrophobicContact CG2-CG1 4.18Å; I312-W314 PolarHBondContact O-N 3.12Å; I312-V323 PolarHBondContact N-O 3.29Å; I312-Y325 HydrophobicContact CB-CD2 4.43Å; I312-Y325 HydrophobicContact CB-CE2 4.04Å; I312-Y325 HydrophobicContact CD1-CD2 4.05Å; I312-Y325 HydrophobicContact CD1-CE2 3.77Å; I312-Y325 HydrophobicContact CG1-CD2 4.01Å; I312-Y325 HydrophobicContact CG1-CE2 3.95Å; I312-F537 HydrophobicContact CD1-CZ 4.13Å
313I23.5Very low27.1Very low112 Ų11299.5 Ų99.557%0.57451%0.507SS*.EExtended strand (participates in β ladder)trans-73.4108.3173.7-55.3174.2000108.2T311 T315T311-I313 HydrophobicContact CG2-CG1 4.21Å; I313-T315 HydrophobicContact CG2-CG2 4.44Å
314W24.9Very low27.2Very low150 Ų15098.9 Ų98.957%0.56850%0.502SS*.EExtended strand (participates in β ladder)trans-106.3113.6173.1-156.970.6000111.4I312 N316I312-W314 PolarHBondContact O-N 3.12Å; W314-N316 HydrophobicContact CE3-CB 4.38Å; W314-N316 HydrophobicContact CZ3-CB 4.18Å; W314-N316 PolarHBondContact O-N 3.26Å; W314-N316 VanDerWaalsContact O-N 3.14Å
315T23.4Very low27.5Very low101 Ų10191.1 Ų91.162%0.6247%0.467SS*.  trans-83.985.5-176.654.40000111.2I313 I317I313-T315 HydrophobicContact CG2-CG2 4.44Å; T315-I317 PolarHBondContact O-N 3.11Å
316N27.2Very low27.6Very low69 Ų6991.8 Ų91.837%0.36946%0.464SS..  trans-68127.9155.2-172.4-5.1000107.9W314 N318 K319W314-N316 HydrophobicContact CE3-CB 4.38Å; W314-N316 HydrophobicContact CZ3-CB 4.18Å; W314-N316 PolarHBondContact O-N 3.26Å; W314-N316 VanDerWaalsContact O-N 3.14Å; N316-N318 PolarHBondContact O-N 3.1Å; N316-K319 CarbonylContact O-C 3.2Å; N316-K319 PolarHBondContact O-N 2.83Å; N316-K319 VanDerWaalsContact O-N 3.11Å
317I34.5Very low27.7Very low161 Ų16188.3 Ų88.383%0.82644%0.444SS*.THydrogen-bonded Turntrans-56.6-31-161.6-64.5171.7000113T315T315-I317 PolarHBondContact O-N 3.11Å
318N32.6Very low27.9Very low146 Ų14685.6 Ų85.678%0.78143%0.429SS*.THydrogen-bonded Turntrans-94.7-21.4-175.8-65.1-12.2000114.4N316N316-N318 PolarHBondContact O-N 3.1Å
319K27.8Very low28Very low160 Ų16083 Ų8370%0.69642%0.419SS*.  trans-156.5115.3172.8-74.3-166.5179.3-1800109.5N316N316-K319 CarbonylContact O-C 3.2Å; N316-K319 PolarHBondContact O-N 2.83Å; N316-K319 VanDerWaalsContact O-N 3.11Å
320P27.2Very low28.3Very low91 Ų9178.3 Ų78.359%0.59140%0.398SS*.  trans-67.4138.7166.729.6-33.1000109.4
321I29.8Very low28.3Very low71 Ų7178 Ų7836%0.36440%0.403SS..EExtended strand (participates in β ladder)trans-120.2120.8173-60.3175.1000106.6V323 F531I321-V323 HydrophobicContact CG2-CG2 4.31Å; I321-V323 PolarHBondContact O-N 2.91Å; I321-F531 HydrophobicContact CD1-CZ 4.17Å
322N27Very low28.5Very low108 Ų10878.5 Ų78.558%0.57840%0.404SS*.EExtended strand (participates in β ladder)trans-74.2113.9172.8-70.8-5000108.2
323V32.6Very low28.5Very low22 Ų2283.1 Ų83.113%0.13342%0.418CS..EExtended strand (participates in β ladder)trans-102.397.8170.3-173.40000107.6I312 I321 Y325I312-V323 PolarHBondContact N-O 3.29Å; I321-V323 HydrophobicContact CG2-CG2 4.31Å; I321-V323 PolarHBondContact O-N 2.91Å; V323-Y325 HydrophobicContact CB-CE2 4.17Å; V323-Y325 HydrophobicContact CG1-CD2 4.32Å; V323-Y325 HydrophobicContact CG1-CE1 4.11Å; V323-Y325 HydrophobicContact CG1-CE2 3.64Å
324T30.5Very low28.5Very low36 Ų3682 Ų8222%0.22142%0.416CS..EExtended strand (participates in β ladder)trans-82.6123174-57.10000109.6E309 T311 Y326E309-T324 HydrophobicContact CG-CG2 3.44Å; E309-T324 VanDerWaalsContact CG-CG2 3.44Å; E309-T324 WeakPolarHBondContact OE1-CG2 2.91Å; T311-T324 WeakPolarHBondContact OG1-CB 3.38Å; T311-T324 VanDerWaalsContact OG1-CG2 3.27Å; T311-T324 WeakPolarHBondContact OG1-CG2 3.09Å; T311-T324 PolarHBondContact OG1-OG1 3.42Å; T324-Y326 HydrophobicContact CG2-CD1 4.5Å; T324-Y326 HydrophobicContact CG2-CD2 4.01Å; T324-Y326 HydrophobicContact CG2-CE1 3.99Å; T324-Y326 HydrophobicContact CG2-CE2 3.45Å; T324-Y326 VanDerWaalsContact CG2-CE2 3.45Å; T324-Y326 VanDerWaalsContact CG2-CZ 3.44Å
325Y30.3Very low28.7Very low18 Ų1877.4 Ų77.47%0.07140%0.399CS..EExtended strand (participates in β ladder)trans-102.5128.3171.9-61-87.9000108.8I310 I312 V323 F537 A650 Y652I310-Y325 PolarHBondContact N-O 3.49Å; I310-Y325 WeakPolarHBondContact O-CB 3.31Å; I310-Y325 PolarHBondContact O-N 2.81Å; I312-Y325 HydrophobicContact CB-CD2 4.43Å; I312-Y325 HydrophobicContact CB-CE2 4.04Å; I312-Y325 HydrophobicContact CD1-CD2 4.05Å; I312-Y325 HydrophobicContact CD1-CE2 3.77Å; I312-Y325 HydrophobicContact CG1-CD2 4.01Å; I312-Y325 HydrophobicContact CG1-CE2 3.95Å; V323-Y325 HydrophobicContact CB-CE2 4.17Å; V323-Y325 HydrophobicContact CG1-CD2 4.32Å; V323-Y325 HydrophobicContact CG1-CE1 4.11Å; V323-Y325 HydrophobicContact CG1-CE2 3.64Å; Y325-F537 HydrophobicContact CE1-CD2 4.34Å; Y325-F537 AromaticContact CE1-CE2 3.9Å; Y325-F537 HydrophobicContact CE1-CE2 3.9Å; Y325-F537 HydrophobicContact CE2-CE2 4.32Å; Y325-F537 AromaticContact CZ-CE2 3.73Å; Y325-A650 HydrophobicContact CD1-CB 3.98Å; Y325-A650 HydrophobicContact CE1-CB 3.99Å; Y325-Y652 AromaticContact CD1-CE2 3.9Å; Y325-Y652 HydrophobicContact CD1-CE2 3.9Å; Y325-Y652 HydrophobicContact CG-CE2 4.38Å
326Y31.7Very low28.8Very low68 Ų6875.3 Ų75.327%0.26738%0.384SS..EExtended strand (participates in β ladder)trans-105.1135.7173.9-64.2-84.2000109.9E309 T324 Y465 I651 Y652E309-Y326 HydrophobicContact CB-CD1 4.26Å; E309-Y326 HydrophobicContact CB-CE1 4.26Å; E309-Y326 HydrophobicContact CG-CD1 4.05Å; E309-Y326 HydrophobicContact CG-CE1 3.78Å; T324-Y326 HydrophobicContact CG2-CD1 4.5Å; T324-Y326 HydrophobicContact CG2-CD2 4.01Å; T324-Y326 HydrophobicContact CG2-CE1 3.99Å; T324-Y326 HydrophobicContact CG2-CE2 3.45Å; T324-Y326 VanDerWaalsContact CG2-CE2 3.45Å; T324-Y326 VanDerWaalsContact CG2-CZ 3.44Å; Y326-Y465 WeakPolarHBondContact CD2-OH 3.5Å; Y326-Y465 WeakPolarHBondContact CE2-OH 3.43Å; Y326-Y465 VanDerWaalsContact CG-OH 3.24Å; Y326-I651 HydrophobicContact CD2-CD1 4.45Å; Y326-I651 CarbonylContact O-C 3.04Å; Y326-I651 WeakPolarHBondContact O-CA 3.15Å; Y326-I651 WeakPolarHBondContact O-CG2 3.33Å; Y326-Y652 PolarHBondContact O-N 3.43Å
327F29.3Very low28.7Very low42 Ų4274.8 Ų74.818%0.18439%0.386CS..EExtended strand (participates in β ladder)trans-109.7122.9173.3-63.4-97.8000108.4L307 K308 I310 Y652 F654L307-F327 WeakPolarHBondContact CA-O 3.34Å; K308-F327 HydrophobicContact CB-CB 4.25Å; K308-F327 PolarHBondContact N-O 3.05Å; K308-F327 WeakPolarHBondContact O-CD2 2.96Å; K308-F327 PolarHBondContact O-N 3.48Å; I310-F327 HydrophobicContact CB-CE2 4.02Å; I310-F327 HydrophobicContact CD1-CD2 4.29Å; I310-F327 HydrophobicContact CD1-CE2 3.62Å; I310-F327 HydrophobicContact CD1-CZ 4.16Å; I310-F327 HydrophobicContact CG1-CD2 4.18Å; I310-F327 HydrophobicContact CG1-CE2 3.74Å; F327-Y652 HydrophobicContact CD1-CD1 4.23Å; F327-Y652 AromaticContact CD1-CD2 3.63Å; F327-Y652 HydrophobicContact CD1-CD2 3.63Å; F327-Y652 HydrophobicContact CD1-CE2 4.46Å; F327-Y652 AromaticContact CD1-CG 3.53Å; F327-Y652 HydrophobicContact CD1-CG 3.53Å; F327-Y652 HydrophobicContact CD2-CD2 4.41Å; F327-Y652 AromaticContact CE1-CD1 3.78Å; F327-Y652 HydrophobicContact CE1-CD1 3.78Å; F327-Y652 AromaticContact CE1-CD2 3.37Å; F327-Y652 HydrophobicContact CE1-CD2 3.37Å; F327-Y652 HydrophobicContact CE1-CE1 4.13Å; F327-Y652 AromaticContact CE1-CE2 3.77Å; F327-Y652 HydrophobicContact CE1-CE2 3.77Å; F327-Y652 AromaticContact CE1-CG 3.42Å; F327-Y652 HydrophobicContact CE1-CG 3.42Å; F327-Y652 VanDerWaalsContact CE1-CG 3.42Å; F327-Y652 HydrophobicContact CE2-CD2 4.17Å; F327-Y652 HydrophobicContact CE2-CE2 4.31Å; F327-Y652 HydrophobicContact CG-CD2 4.16Å; F327-Y652 HydrophobicContact CG-CG 4.39Å; F327-Y652 AromaticContact CZ-CD2 3.66Å; F327-Y652 HydrophobicContact CZ-CD2 3.66Å; F327-Y652 AromaticContact CZ-CE2 3.68Å; F327-Y652 HydrophobicContact CZ-CE2 3.68Å; F327-Y652 HydrophobicContact CZ-CG 4.19Å; F327-F654 AromaticContact CD1-CE2 3.89Å; F327-F654 HydrophobicContact CD1-CE2 3.89Å
328M30.3Very low28.3Very low8 Ų871.3 Ų71.34%0.03937%0.366CS..EExtended strand (participates in β ladder)trans-106.3139.1175-165170.2-159.200109.4T305 L307 D461 Y652 V653 F654T305-M328 HydrophobicContact CG2-CE 3.8Å; L307-M328 HydrophobicContact CD2-CB 3.88Å; L307-M328 HydrophobicContact CD2-CG 3.87Å; L307-M328 HydrophobicContact CD2-SD 4.41Å; M328-D461 HydrophobicContact CE-CB 3.74Å; M328-D461 HydrophobicContact SD-CB 4.44Å; M328-Y652 WeakPolarHBondContact CB-O 3.26Å; M328-Y652 PolarHBondContact N-O 3.05Å; M328-V653 HydrophobicContact CB-CG2 4.36Å; M328-V653 CarbonylContact O-C 3.58Å; M328-V653 VanDerWaalsContact O-CA 3.28Å; M328-V653 WeakPolarHBondContact O-CA 3.15Å; M328-F654 PolarHBondContact O-N 2.99Å
329E27.8Very low27.9Very low56 Ų5665.4 Ų65.426%0.26234%0.336SS..EExtended strand (participates in β ladder)trans-111.6102.3178.7-148.9156.896.400107K308 C331 F654K308-E329 VanDerWaalsContact NZ-CD 3.35Å; K308-E329 IonicContact NZ-OE1 3.15Å; K308-E329 PolarHBondContact NZ-OE1 3.22Å; K308-E329 IonicContact NZ-OE2 2.77Å; K308-E329 PolarHBondContact NZ-OE2 2.81Å; E329-C331 PolarHBondContact O-N 2.87Å; E329-F654 HydrophobicContact CG-CB 4.38Å
330T31.4Very low27.9Very low14 Ų1462.7 Ų62.79%0.08633%0.326CS..  trans-80.875.5177.5460000110N332 L458 V653 F654 T655T330-N332 PolarHBondContact O-N 3.03Å; T330-L458 HydrophobicContact CG2-CD1 4.32Å; T330-V653 HydrophobicContact CG2-CG1 3.59Å; T330-V653 WeakPolarHBondContact OG1-CG1 3.08Å; T330-F654 PolarHBondContact N-O 3.43Å; T330-F654 PolarHBondContact OG1-O 3.42Å; T330-T655 WeakPolarHBondContact OG1-CG2 3.39Å
331C25.3Very low27.9Very low83 Ų8364.7 Ų64.756%0.56133%0.327SS*.  trans-60.793.6176.4-590000110.1E329 Y333E329-C331 PolarHBondContact O-N 2.87Å; C331-Y333 PolarHBondContact O-N 2.74Å
332N26.8Very low27.7Very low60 Ų6069.2 Ų69.232%0.32134%0.344SS..THydrogen-bonded Turntrans-73.729.8-169.4-16022.9000113.6T330 N336T330-N332 PolarHBondContact O-N 3.03Å; N332-N336 PolarHBondContact ND2-ND2 2.87Å; N332-N336 PolarHBondContact O-ND2 3.06Å; N332-N336 PolarHBondContact OD1-ND2 2.72Å
333Y25.2Very low27.6Very low170 Ų17073 Ų7367%0.66735%0.352SS*.THydrogen-bonded Turntrans-94.4-51.4-172.4-155.2-101.9000112.5K3 C331K3-Y333 PolarHBondContact NZ-OH 2.92Å; C331-Y333 PolarHBondContact O-N 2.74Å
334V24.1Very low27.2Very low89 Ų8977.7 Ų77.754%0.53937%0.368SS..Hα-helixtrans-73.7-36.7-171.3-176.20000112.4S337V334-S337 PolarHBondContact O-OG 2.98Å; V334-S337 VanDerWaalsContact O-OG 3.06Å
335W27.3Very low26.9Very low52 Ų5278.9 Ų78.920%0.19739%0.387CS..Hα-helixtrans-77-30.7-178.8-166.9-101.8000112.9C339 A453 K456 Q457W335-C339 PolarHBondContact NE1-SG 2.79Å; W335-C339 VanDerWaalsContact NE1-SG 3.41Å; W335-C339 WeakPolarHBondContact O-CB 3.14Å; W335-C339 PolarHBondContact O-N 2.68Å; W335-A453 PolarHBondContact NE1-O 3.21Å; W335-K456 HydrophobicContact CZ2-CD 4.12Å; W335-Q457 HydrophobicContact CB-CB 4.41Å; W335-Q457 HydrophobicContact CB-CG 4.05Å; W335-Q457 HydrophobicContact CD2-CB 4.46Å; W335-Q457 HydrophobicContact CG-CB 3.99Å; W335-Q457 HydrophobicContact CG-CG 4.07Å
336N26.1Very low26.5Very low58 Ų5885.9 Ų85.931%0.3142%0.42SS..Hα-helixtrans-63.7-45.7175.5-87.7-38.2000111.5N332 Q338 C339 E340N332-N336 PolarHBondContact ND2-ND2 2.87Å; N332-N336 PolarHBondContact O-ND2 3.06Å; N332-N336 PolarHBondContact OD1-ND2 2.72Å; N336-Q338 VanDerWaalsContact C-N 3.3Å; N336-Q338 PolarHBondContact O-N 2.65Å; N336-C339 PolarHBondContact O-N 2.68Å; N336-C339 VanDerWaalsContact O-N 3.11Å; N336-E340 WeakPolarHBondContact O-CB 3.42Å; N336-E340 WeakPolarHBondContact O-CG 2.81Å; N336-E340 PolarHBondContact O-N 2.66Å
337S25.7Very low26.1Very low58 Ų5888.4 Ų88.441%0.40644%0.438SS..Hα-helixtrans-63.5-31.8-178.863.80000113.8V334V334-S337 PolarHBondContact O-OG 2.98Å; V334-S337 VanDerWaalsContact O-OG 3.06Å
338Q25.6Very low25.7Very low87 Ų8791.1 Ų91.141%0.40745%0.454SS..Hα-helixtrans-79.4-30.6173.2-72.1-170.5-3000113.4N336N336-Q338 VanDerWaalsContact C-N 3.3Å; N336-Q338 PolarHBondContact O-N 2.65Å
339C25.2Very low25.5Very low22 Ų2296.1 Ų96.115%0.14948%0.48CS..Hα-helixtrans-75.9-30.5174.4-77.30000113.4W335 N336 Q341 K342 Y343 A453W335-C339 PolarHBondContact NE1-SG 2.79Å; W335-C339 VanDerWaalsContact NE1-SG 3.41Å; W335-C339 WeakPolarHBondContact O-CB 3.14Å; W335-C339 PolarHBondContact O-N 2.68Å; N336-C339 PolarHBondContact O-N 2.68Å; N336-C339 VanDerWaalsContact O-N 3.11Å; C339-Q341 PolarHBondContact O-N 2.94Å; C339-K342 PolarHBondContact O-N 3.41Å; C339-K342 VanDerWaalsContact O-N 3.15Å; C339-Y343 PolarHBondContact O-N 3.08Å; C339-A453 HydrophobicContact CB-CB 4.46Å
340E26.2Very low25.4Very low104 Ų10496.2 Ų96.249%0.48650%0.496SS..Hα-helixtrans-54.4-34.8172.9-81.4176.2159.200112.6N336 Y344N336-E340 WeakPolarHBondContact O-CB 3.42Å; N336-E340 WeakPolarHBondContact O-CG 2.81Å; N336-E340 PolarHBondContact O-N 2.66Å; E340-Y344 HydrophobicContact CB-CE2 4.23Å; E340-Y344 HydrophobicContact CG-CE2 3.81Å
341Q27.4Very low25.1Very low132 Ų132101.1 Ų101.162%0.61752%0.521SS*.THydrogen-bonded Turntrans-80.8-12.4-179.1-65.4-177.5-19.500115.1C339C339-Q341 PolarHBondContact O-N 2.94Å
342K25.9Very low25.3Very low167 Ų16797.9 Ų97.973%0.72650%0.499SS*.THydrogen-bonded Turntrans-137.9-17-161.4-139.1170.6-169.9170.70118.4C339C339-K342 PolarHBondContact O-N 3.41Å; C339-K342 VanDerWaalsContact O-N 3.15Å
343Y25.2Very low25.5Very low188 Ų18897.4 Ų97.474%0.73750%0.497SS*.  trans-13117.7-176.6-74.6-74.3000115.3C339 G345C339-Y343 PolarHBondContact O-N 3.08Å; Y343-G345 PolarHBondContact O-N 2.93Å
344Y24.4Very low25.7Very low119 Ų11992.7 Ų92.747%0.46748%0.482SS..THydrogen-bonded Turntrans-77.163.6173-87.4-111.5000112.3E340 I349E340-Y344 HydrophobicContact CB-CE2 4.23Å; E340-Y344 HydrophobicContact CG-CE2 3.81Å; Y344-I349 HydrophobicContact CE1-CD1 4.01Å
345G23.5Very low25.6Very low62 Ų6294.6 Ų94.664%0.63948%0.483SS*.THydrogen-bonded Turntrans-103.1-22.2169.800000114.1Y343Y343-G345 PolarHBondContact O-N 2.93Å
346H22.5Very low25.7Very low164 Ų16495.4 Ų95.476%0.75949%0.491SS*.SBendtrans-142.1135.3-179.7-62.5-65.6000111.1N348H346-N348 PolarHBondContact O-N 3.15Å
347L22Very low25.9Very low121 Ų12195.4 Ų95.463%0.63449%0.493SS*.  trans-64.599.1176.1-71.997.4000110.8C14C14-L347 HydrophobicContact CB-CD2 4.29Å
348N22.3Very low26Very low100 Ų10096.7 Ų96.754%0.53549%0.492SS..  trans-11111.2171.1-106.7-54000112.9H346 G350 P352H346-N348 PolarHBondContact O-N 3.15Å; N348-G350 PolarHBondContact O-N 3.06Å; N348-P352 WeakPolarHBondContact OD1-CG 3.3Å
349I24.6Very low26Very low113 Ų11397.8 Ų97.858%0.57950%0.5SS*.SBendtrans-77.2112.9169.5-55.9175.7000108.5Y344 L351Y344-I349 HydrophobicContact CE1-CD1 4.01Å; I349-L351 VanDerWaalsContact C-N 3.29Å; I349-L351 PolarHBondContact O-N 3.11Å
350G26.6Very low26.1Very low58 Ų5897.3 Ų97.360%0.59850%0.496SS*.SBendtrans75.2-36.2161.200000119.1N348 P352N348-G350 PolarHBondContact O-N 3.06Å; G350-P352 VanDerWaalsContact C-CD 3.49Å
351L25.8Very low26.2Very low117 Ų11795.3 Ų95.361%0.61349%0.487SS*.  trans-79.7-16.6-171.6-102.2160.4000120I349 F355I349-L351 VanDerWaalsContact C-N 3.29Å; I349-L351 PolarHBondContact O-N 3.11Å; L351-F355 HydrophobicContact CD2-CD2 4.42Å
352P28.9Very low26Very low14 Ų1495.1 Ų95.19%0.09148%0.484CS..Hα-helixtrans-82.4-25.4-166.2-12.726.7000118.3N348 G350 I354 F355 I356N348-P352 WeakPolarHBondContact OD1-CG 3.3Å; G350-P352 VanDerWaalsContact C-CD 3.49Å; P352-I354 PolarHBondContact O-N 3.29Å; P352-F355 PolarHBondContact O-N 3.04Å; P352-I356 HydrophobicContact CB-CD1 3.66Å; P352-I356 HydrophobicContact CB-CG1 4.19Å; P352-I356 WeakPolarHBondContact O-CB 3.04Å; P352-I356 WeakPolarHBondContact O-CG1 3.36Å; P352-I356 PolarHBondContact O-N 3.39Å
353D30.8Very low26Very low51 Ų5188.7 Ų88.727%0.27346%0.46SS..Hα-helixtrans-70.9-40.8-160.9-72.7-24.5000114.4T357 R452D353-T357 WeakPolarHBondContact O-CB 2.87Å; D353-T357 WeakPolarHBondContact O-CG2 3.15Å; D353-T357 PolarHBondContact O-N 3.4Å; D353-T357 PolarHBondContact O-OG1 3.04Å; D353-R452 VanDerWaalsContact CG-NH1 3.33Å; D353-R452 VanDerWaalsContact CG-NH2 3.32Å; D353-R452 IonicContact OD1-CZ 2.66Å; D353-R452 IonicContact OD1-NH1 2.63Å; D353-R452 PolarHBondContact OD1-NH1 3.17Å; D353-R452 IonicContact OD1-NH2 2.74Å; D353-R452 PolarHBondContact OD1-NH2 2.93Å; D353-R452 IonicContact OD2-CZ 3.45Å; D353-R452 IonicContact OD2-NH1 2.67Å; D353-R452 PolarHBondContact OD2-NH1 3.08Å; D353-R452 IonicContact OD2-NH2 2.67Å; D353-R452 PolarHBondContact OD2-NH2 3.39Å
354I28.6Very low26Very low70 Ų7084 Ų8436%0.35945%0.447SS..Hα-helixtrans-74.8-35.9173.5-65.7173.2000110.7P352 T357 H358P352-I354 PolarHBondContact O-N 3.29Å; I354-T357 WeakPolarHBondContact CA-OG1 2.9Å; I354-T357 PolarHBondContact O-OG1 3.41Å; I354-T357 VanDerWaalsContact O-OG1 3.1Å; I354-H358 WeakPolarHBondContact O-CB 3.48Å; I354-H358 PolarHBondContact O-N 3.23Å
355F23.9Very low25.9Very low130 Ų13082.7 Ų82.757%0.5746%0.455SS*.Hα-helixtrans-75-35.5-179-91.9-77000113.9L351 P352 H358 L359L351-F355 HydrophobicContact CD2-CD2 4.42Å; P352-F355 PolarHBondContact O-N 3.04Å; F355-H358 PolarHBondContact O-N 3.09Å; F355-L359 WeakPolarHBondContact O-CB 3.38Å; F355-L359 VanDerWaalsContact O-CG 3.27Å; F355-L359 WeakPolarHBondContact O-CG 3.28Å; F355-L359 PolarHBondContact O-N 2.67Å
356I29Very low25.8Very low69 Ų6985.9 Ų85.935%0.35445%0.453SS..Hα-helixtrans-70-40.5172.7-67.8175.3000110.3P352 L359 N360P352-I356 HydrophobicContact CB-CD1 3.66Å; P352-I356 HydrophobicContact CB-CG1 4.19Å; P352-I356 WeakPolarHBondContact O-CB 3.04Å; P352-I356 WeakPolarHBondContact O-CG1 3.36Å; P352-I356 PolarHBondContact O-N 3.39Å; I356-L359 PolarHBondContact O-N 2.76Å; I356-N360 VanDerWaalsContact O-CB 3.31Å; I356-N360 WeakPolarHBondContact O-CB 3.04Å; I356-N360 PolarHBondContact O-N 3.42Å; I356-N360 PolarHBondContact O-ND2 2.78Å
357T30.3Very low25.8Very low58 Ų5883.7 Ų83.736%0.35645%0.454SS..Hα-helixtrans-65.7-36.9172.6510000112D353 I354 Q361D353-T357 WeakPolarHBondContact O-CB 2.87Å; D353-T357 WeakPolarHBondContact O-CG2 3.15Å; D353-T357 PolarHBondContact O-N 3.4Å; D353-T357 PolarHBondContact O-OG1 3.04Å; I354-T357 WeakPolarHBondContact CA-OG1 2.9Å; I354-T357 PolarHBondContact O-OG1 3.41Å; I354-T357 VanDerWaalsContact O-OG1 3.1Å; T357-Q361 WeakPolarHBondContact O-CB 2.88Å; T357-Q361 VanDerWaalsContact O-CG 3.24Å; T357-Q361 WeakPolarHBondContact O-CG 3.29Å; T357-Q361 PolarHBondContact O-N 3.44Å
358H26.9Very low25.9Very low85 Ų8583.1 Ų83.139%0.39446%0.455SS..Hα-helixtrans-69.9-35.7174.7-168.6-32000113.1I354 F355 Q361 K362I354-H358 WeakPolarHBondContact O-CB 3.48Å; I354-H358 PolarHBondContact O-N 3.23Å; F355-H358 PolarHBondContact O-N 3.09Å; H358-Q361 PolarHBondContact O-N 2.68Å; H358-K362 PolarHBondContact O-N 3.46Å
359L25.4Very low25.8Very low110 Ų11083.2 Ų83.258%0.57646%0.463SS*.Hα-helixtrans-68-46.4173.5-77.9166000110.8F355 I356 Q361 K362 S363F355-L359 WeakPolarHBondContact O-CB 3.38Å; F355-L359 VanDerWaalsContact O-CG 3.27Å; F355-L359 WeakPolarHBondContact O-CG 3.28Å; F355-L359 PolarHBondContact O-N 2.67Å; I356-L359 PolarHBondContact O-N 2.76Å; L359-Q361 VanDerWaalsContact C-N 3.31Å; L359-Q361 PolarHBondContact O-N 3.05Å; L359-K362 WeakPolarHBondContact O-CB 3.27Å; L359-K362 PolarHBondContact O-N 2.95Å; L359-K362 VanDerWaalsContact O-N 3.09Å; L359-S363 PolarHBondContact O-N 2.78Å; L359-S363 PolarHBondContact O-OG 3.27Å
360N28.5Very low25.8Very low12 Ų1286 Ų866%0.06447%0.472CS..Hα-helixtrans-63.9-34.3174.3-71.8-21.7000111.8I356 S363 I364 L412I356-N360 VanDerWaalsContact O-CB 3.31Å; I356-N360 WeakPolarHBondContact O-CB 3.04Å; I356-N360 PolarHBondContact O-N 3.42Å; I356-N360 PolarHBondContact O-ND2 2.78Å; N360-S363 WeakPolarHBondContact CA-OG 3.07Å; N360-S363 PolarHBondContact O-N 2.74Å; N360-S363 PolarHBondContact O-OG 3.42Å; N360-S363 VanDerWaalsContact O-OG 3.09Å; N360-I364 WeakPolarHBondContact O-CB 3.2Å; N360-I364 WeakPolarHBondContact O-CD1 3.49Å; N360-I364 WeakPolarHBondContact O-CG1 3.36Å; N360-I364 PolarHBondContact O-N 2.9Å; N360-L412 HydrophobicContact CB-CD1 3.93Å
361Q27.3Very low25.6Very low62 Ų6288 Ų8829%0.2947%0.472SS..Hα-helixtrans-61.6-45.1169.3-82.3176.8-62.100111.8T357 H358 L359 I364 S365 W420T357-Q361 WeakPolarHBondContact O-CB 2.88Å; T357-Q361 VanDerWaalsContact O-CG 3.24Å; T357-Q361 WeakPolarHBondContact O-CG 3.29Å; T357-Q361 PolarHBondContact O-N 3.44Å; H358-Q361 PolarHBondContact O-N 2.68Å; L359-Q361 VanDerWaalsContact C-N 3.31Å; L359-Q361 PolarHBondContact O-N 3.05Å; Q361-I364 PolarHBondContact O-N 3.41Å; Q361-S365 VanDerWaalsContact O-CB 3.25Å; Q361-S365 WeakPolarHBondContact O-CB 3.43Å; Q361-S365 PolarHBondContact O-N 2.89Å; Q361-S365 PolarHBondContact O-OG 2.81Å; Q361-W420 HydrophobicContact CG-CH2 3.57Å; Q361-W420 HydrophobicContact CG-CZ3 4.04Å
362K24.2Very low25.6Very low128 Ų12888.8 Ų88.856%0.55748%0.477SS*.Hα-helixtrans-60.8-47.3176.8-89-174.8171.8178.40111.2H358 L359 I364 S365 Q366H358-K362 PolarHBondContact O-N 3.46Å; L359-K362 WeakPolarHBondContact O-CB 3.27Å; L359-K362 PolarHBondContact O-N 2.95Å; L359-K362 VanDerWaalsContact O-N 3.09Å; K362-I364 VanDerWaalsContact C-N 3.33Å; K362-I364 PolarHBondContact O-N 2.83Å; K362-S365 WeakPolarHBondContact CA-OG 3.46Å; K362-S365 PolarHBondContact O-N 3.23Å; K362-S365 PolarHBondContact O-OG 3.12Å; K362-Q366 PolarHBondContact O-N 3.23Å; K362-Q366 VanDerWaalsContact O-N 3.17Å
363S24.2Very low25.4Very low32 Ų3296.3 Ų96.322%0.22451%0.511CS..Hα-helixtrans-69.6-25.1179.963.10000114.2L359 N360 Q366L359-S363 PolarHBondContact O-N 2.78Å; L359-S363 PolarHBondContact O-OG 3.27Å; N360-S363 WeakPolarHBondContact CA-OG 3.07Å; N360-S363 PolarHBondContact O-N 2.74Å; N360-S363 PolarHBondContact O-OG 3.42Å; N360-S363 VanDerWaalsContact O-OG 3.09Å; S363-Q366 VanDerWaalsContact O-O 3.07Å
364I25.4Very low25.2Very low88 Ų88102.6 Ų102.645%0.45153%0.533SS..Hα-helixtrans-82.6-32.1172.5-66.8167.7000111.5N360 Q361 K362 Q366 T409 L412N360-I364 WeakPolarHBondContact O-CB 3.2Å; N360-I364 WeakPolarHBondContact O-CD1 3.49Å; N360-I364 WeakPolarHBondContact O-CG1 3.36Å; N360-I364 PolarHBondContact O-N 2.9Å; Q361-I364 PolarHBondContact O-N 3.41Å; K362-I364 VanDerWaalsContact C-N 3.33Å; K362-I364 PolarHBondContact O-N 2.83Å; I364-Q366 VanDerWaalsContact C-N 3.28Å; I364-Q366 PolarHBondContact O-N 3.27Å; I364-T409 HydrophobicContact CG1-CG2 4.5Å; I364-L412 HydrophobicContact CD1-CB 3.87Å; I364-L412 HydrophobicContact CD1-CD1 4.22Å
365S23.3Very low25.2Very low92 Ų92104.9 Ų104.964%0.64355%0.545SS*.Hα-helixtrans-71.3-22.1176.8730000113.7Q361 K362Q361-S365 VanDerWaalsContact O-CB 3.25Å; Q361-S365 WeakPolarHBondContact O-CB 3.43Å; Q361-S365 PolarHBondContact O-N 2.89Å; Q361-S365 PolarHBondContact O-OG 2.81Å; K362-S365 WeakPolarHBondContact CA-OG 3.46Å; K362-S365 PolarHBondContact O-N 3.23Å; K362-S365 PolarHBondContact O-OG 3.12Å
366Q21.9Very low25.5Very low129 Ų129103.3 Ų103.360%0.60354%0.541SS*.SBendtrans-91.9127169.6-68.6-175.9-2500109.3K362 S363 I364 V368K362-Q366 PolarHBondContact O-N 3.23Å; K362-Q366 VanDerWaalsContact O-N 3.17Å; S363-Q366 VanDerWaalsContact O-O 3.07Å; I364-Q366 VanDerWaalsContact C-N 3.28Å; I364-Q366 PolarHBondContact O-N 3.27Å; Q366-V368 PolarHBondContact O-N 2.91Å
367P22.6Very low25.3Very low119 Ų119106.9 Ų106.977%0.77356%0.561SS**  trans-70.396168.428.9-32.2000108.8S369P367-S369 PolarHBondContact O-N 3.47Å
368V23.3Very low25.2Very low109 Ų109110.6 Ų110.666%0.66157%0.572SS**  trans-7377.2179.3-174.50000110.1Q366 F370Q366-V368 PolarHBondContact O-N 2.91Å; V368-F370 VanDerWaalsContact C-N 3.34Å; V368-F370 PolarHBondContact O-N 2.81Å; V368-F370 VanDerWaalsContact O-N 3.11Å
369S20.9Very low25.2Very low101 Ų101112.9 Ų112.971%0.70658%0.583SS**  trans-8662.3-174.663.40000112.4P367P367-S369 PolarHBondContact O-N 3.47Å
370F24.3Very low25.2Very low172 Ų172114.3 Ų114.375%0.75459%0.591SS**  trans-134116.5-178.4-102.8-87.3000116V368V368-F370 VanDerWaalsContact C-N 3.34Å; V368-F370 PolarHBondContact O-N 2.81Å; V368-F370 VanDerWaalsContact O-N 3.11Å
371T22.9Very low25Very low99 Ų99120.7 Ų120.761%0.60763%0.625SS**  trans51.771148.952.90000118.5
372N25.8Very low24.9Very low134 Ų134125.5 Ų125.572%0.71765%0.646SS**SBendtrans-78-23.2167.9-148.813.2000113.1
373E24.6Very low24.9Very low172 Ų172126.5 Ų126.580%0.80466%0.657SS**Hα-helixtrans-74.8-28.7-171.8-64.6-177.3126.600114.8
374Y26.2Very low25Very low184 Ų184133.7 Ų133.772%0.72269%0.687SS**Hα-helixtrans-77.4-23.8-172.6-163.3-97000113.8
375L28.8Very low24.8Very low117 Ų117136.6 Ų136.661%0.61370%0.704SS**Hα-helixtrans-84.6-33.2-173.3-85164.8000114.1N377 K378L375-N377 VanDerWaalsContact C-N 3.33Å; L375-N377 PolarHBondContact O-N 3.4Å; L375-K378 PolarHBondContact O-N 3.31Å; L375-K378 VanDerWaalsContact O-N 3.12Å
376I29.4Very low24.8Very low98 Ų98142.5 Ų142.550%0.50372%0.718SS.*Hα-helixtrans-59.1-45-176.4-60.9174.6000110.6K378 Q379I376-K378 PolarHBondContact O-N 3.31Å; I376-Q379 PolarHBondContact O-N 2.62Å; I376-Q379 VanDerWaalsContact O-N 3.15Å
377N24.3Very low24.7Very low143 Ų143138.6 Ų138.677%0.76571%0.713SS**THydrogen-bonded Turntrans-63.8-9.5-179.4-76-15.9000115L375L375-N377 VanDerWaalsContact C-N 3.33Å; L375-N377 PolarHBondContact O-N 3.4Å
378K28Very low24.7Very low136 Ų136142.5 Ų142.559%0.59172%0.72SS**THydrogen-bonded Turntrans-105.8-3.5177.3-117.2178.3-178176.80114.8L375 I376L375-K378 PolarHBondContact O-N 3.31Å; L375-K378 VanDerWaalsContact O-N 3.12Å; I376-K378 PolarHBondContact O-N 3.31Å
379Q28.8Very low24.7Very low133 Ų133142.6 Ų142.662%0.62173%0.725SS**G310 helixtrans-68.1-34.3178.4-68.7-175.4-63.400112.8I376 N381I376-Q379 PolarHBondContact O-N 2.62Å; I376-Q379 VanDerWaalsContact O-N 3.15Å; Q379-N381 VanDerWaalsContact C-N 3.29Å; Q379-N381 PolarHBondContact O-N 3.34Å
380N25.1Very low24.9Very low140 Ų140145.4 Ų145.475%0.74973%0.733SS**G310 helixtrans-68.8-17.7-170.3-67.4-5.4000115.5
381N24.4Very low24.8Very low146 Ų146143 Ų14378%0.78173%0.728SS**G310 helixtrans-106.99.1-170.5-75.729.5000114.9Q379Q379-N381 VanDerWaalsContact C-N 3.29Å; Q379-N381 PolarHBondContact O-N 3.34Å
382F24.5Very low24.9Very low164 Ų164143.6 Ų143.672%0.71973%0.734SS**  trans-122.415.6-170.4-99.3-77.2000116.3
383N24.5Very low24.8Very low149 Ų149142.6 Ų142.680%0.79773%0.729SS**SBendtrans-85.6-11.6-177.4-82.5-3.3000116
384E25.3Very low25Very low182 Ų182141.1 Ų141.185%0.8573%0.727SS**SBendtrans-106.3-9.1-164.4-66.2-164.4136.100117.2
385N21.3Very low24.9Very low149 Ų149136.1 Ų136.180%0.79772%0.719SS**  trans-127.264.8-173-81-66.1000114.6G387N385-G387 PolarHBondContact O-N 3.29Å
386F23.7Very low24.7Very low217 Ų217134 Ų13495%0.95271%0.711SS**  trans-85.261.3158.9-93.6-83.3000110.9
387G20.7Very low24.6Very low47 Ų47133 Ų13349%0.48571%0.709SS.*  trans-115.8138.9174.300000111.4N385 S389N385-G387 PolarHBondContact O-N 3.29Å; G387-S389 PolarHBondContact O-N 3.49Å
388H22.6Very low24.8Very low200 Ų200129.2 Ų129.293%0.92669%0.694SS**  trans-31.7111.8-176.9-61.2-87.8000115.9
389S22.7Very low24.8Very low111 Ų111127.6 Ų127.678%0.77669%0.691SS**  trans-130.195.4165.246.50000111.2G387 N391G387-S389 PolarHBondContact O-N 3.49Å; S389-N391 PolarHBondContact O-N 2.79Å
390N24.8Very low24.7Very low160 Ų160126.3 Ų126.386%0.85669%0.687SS**  trans-73.689.1171.1-75.9-8.7000109.8
391N22.6Very low25.1Very low122 Ų122123.4 Ų123.465%0.65267%0.671SS**  trans-161.884.5163.5-108.4-30.9000111.6S389 N393S389-N391 PolarHBondContact O-N 2.79Å; N391-N393 PolarHBondContact O-N 3.42Å
392C24.7Very low25.5Very low111 Ų111122.1 Ų122.175%0.7566%0.66SS**  trans-78.848.5179.2-64.60000113.3N394C392-N394 PolarHBondContact O-N 3.49Å
393N24.4Very low26Very low114 Ų114123 Ų12361%0.6166%0.659SS**  trans-79.786.3-179.4-74.9-13.7000111.8N391 S395N391-N393 PolarHBondContact O-N 3.42Å; N393-S395 PolarHBondContact O-N 2.98Å; N393-S395 PolarHBondContact O-OG 2.96Å; N393-S395 VanDerWaalsContact O-OG 3.09Å
394N27.3Very low26.8Very low140 Ų140117.7 Ų117.775%0.74963%0.63SS**SBendtrans47.7-44161.5-66.6-6.2000120.2C392 T396 V397C392-N394 PolarHBondContact O-N 3.49Å; N394-T396 PolarHBondContact O-N 3.43Å; N394-V397 PolarHBondContact O-N 3.17Å
395S25.4Very low27.4Very low79 Ų79112.7 Ų112.755%0.55261%0.609SS**Hα-helixtrans-64.5-33.5-179.657.20000114N393 L399N393-S395 PolarHBondContact O-N 2.98Å; N393-S395 PolarHBondContact O-OG 2.96Å; N393-S395 VanDerWaalsContact O-OG 3.09Å; S395-L399 PolarHBondContact O-N 3.28Å
396T24.6Very low28.2Very low72 Ų72110 Ų11044%0.44259%0.594SS.*Hα-helixtrans-68.6-33.2178.348.10000112.7N394 M400N394-T396 PolarHBondContact O-N 3.43Å; T396-M400 PolarHBondContact O-N 2.78Å
397V27.1Very low29.1Very low77 Ų77104.3 Ų104.347%0.46757%0.572SS.*Hα-helixtrans-64.8-53.9176.1-177.20000109.6N394 L399 M400 D401N394-V397 PolarHBondContact O-N 3.17Å; V397-L399 VanDerWaalsContact C-N 3.3Å; V397-L399 PolarHBondContact O-N 3.41Å; V397-M400 CarbonylContact O-C 3.55Å; V397-M400 WeakPolarHBondContact O-CA 3.33Å; V397-M400 PolarHBondContact O-N 2.86Å; V397-D401 PolarHBondContact O-N 2.95Å
398S27.6Very low30Very low65 Ų65103.7 Ų103.746%0.45556%0.556SS.*Hα-helixtrans-53.7-42.4176.2176.60000113.5D401 Q402S398-D401 PolarHBondContact O-N 3.5Å; S398-Q402 PolarHBondContact O-N 3.09Å
399L27.9Very low30.9Very low101 Ų10194.9 Ų94.953%0.52952%0.516SS..Hα-helixtrans-74-25.4177.2-83.5166.7000114S395 V397 R403S395-L399 PolarHBondContact O-N 3.28Å; V397-L399 VanDerWaalsContact C-N 3.3Å; V397-L399 PolarHBondContact O-N 3.41Å; L399-R403 VanDerWaalsContact O-CG 3.29Å; L399-R403 WeakPolarHBondContact O-CG 3.27Å
400M28.4Very low32Very low107 Ų10794 Ų9453%0.52750%0.502SS..Hα-helixtrans-72.6-48.8166.1-79.5-148.4174.100110.6T396 V397 Q402 R403 I404T396-M400 PolarHBondContact O-N 2.78Å; V397-M400 CarbonylContact O-C 3.55Å; V397-M400 WeakPolarHBondContact O-CA 3.33Å; V397-M400 PolarHBondContact O-N 2.86Å; M400-Q402 VanDerWaalsContact C-N 3.31Å; M400-Q402 PolarHBondContact O-N 3.25Å; M400-R403 CarbonylContact O-C 3.55Å; M400-R403 WeakPolarHBondContact O-CA 3.49Å; M400-R403 WeakPolarHBondContact O-CB 3.38Å; M400-R403 PolarHBondContact O-N 2.85Å; M400-I404 HydrophobicContact CB-CD1 4.16Å; M400-I404 WeakPolarHBondContact O-CB 3.2Å; M400-I404 VanDerWaalsContact O-CG1 3.23Å; M400-I404 WeakPolarHBondContact O-CG1 3.35Å; M400-I404 PolarHBondContact O-N 3.45Å
401D33.5Very low33.1Very low78 Ų7889.1 Ų89.142%0.41747%0.472SS..Hα-helixtrans-56.7-42.3-177.6-69-26.1000112.3V397 S398 I404 I405V397-D401 PolarHBondContact O-N 2.95Å; S398-D401 PolarHBondContact O-N 3.5Å; D401-I404 WeakPolarHBondContact O-CB 3.13Å; D401-I404 PolarHBondContact O-N 2.94Å; D401-I405 VanDerWaalsContact O-CG1 3.3Å; D401-I405 WeakPolarHBondContact O-CG1 3.19Å; D401-I405 PolarHBondContact O-N 3.48Å
402Q32.6Very low34.3Very low120 Ų12084.7 Ų84.756%0.56145%0.448SS*.Hα-helixtrans-65.7-38174.1-72.6-171.7-15.700113.1S398 M400 N406S398-Q402 PolarHBondContact O-N 3.09Å; M400-Q402 VanDerWaalsContact C-N 3.31Å; M400-Q402 PolarHBondContact O-N 3.25Å; Q402-N406 VanDerWaalsContact O-CB 3.3Å; Q402-N406 WeakPolarHBondContact O-CB 3.33Å; Q402-N406 PolarHBondContact O-N 3.04Å; Q402-N406 PolarHBondContact O-OD1 2.94Å
403R33.9Very low35.2Very low181 Ų18186.3 Ų86.368%0.68345%0.445SS*.Hα-helixtrans-68-36.6173.5-70.1175.9-174-161.13.6111.8L399 M400 N406 M407L399-R403 VanDerWaalsContact O-CG 3.29Å; L399-R403 WeakPolarHBondContact O-CG 3.27Å; M400-R403 CarbonylContact O-C 3.55Å; M400-R403 WeakPolarHBondContact O-CA 3.49Å; M400-R403 WeakPolarHBondContact O-CB 3.38Å; M400-R403 PolarHBondContact O-N 2.85Å; R403-N406 PolarHBondContact O-N 3.18Å; R403-M407 PolarHBondContact O-N 2.87Å
404I40.8Very low36.3Very low39 Ų3986.5 Ų86.520%0.245%0.446CS..Hα-helixtrans-64.5-51.3177.7-72.9165.9000109.9M400 D401 N406 M407 Q408 L450M400-I404 HydrophobicContact CB-CD1 4.16Å; M400-I404 WeakPolarHBondContact O-CB 3.2Å; M400-I404 VanDerWaalsContact O-CG1 3.23Å; M400-I404 WeakPolarHBondContact O-CG1 3.35Å; M400-I404 PolarHBondContact O-N 3.45Å; D401-I404 WeakPolarHBondContact O-CB 3.13Å; D401-I404 PolarHBondContact O-N 2.94Å; I404-N406 VanDerWaalsContact C-N 3.34Å; I404-N406 PolarHBondContact O-N 3.29Å; I404-M407 PolarHBondContact O-N 2.72Å; I404-Q408 WeakPolarHBondContact O-CB 3.37Å; I404-Q408 WeakPolarHBondContact O-CG 3.33Å; I404-Q408 PolarHBondContact O-N 2.86Å; I404-L450 HydrophobicContact CB-CD2 4.47Å; I404-L450 HydrophobicContact CG1-CD2 4.04Å; I404-L450 HydrophobicContact CG2-CD2 3.85Å
405I38.5Very low37.3Very low77 Ų7780.9 Ų80.940%0.39542%0.417SS..Hα-helixtrans-60.7-44.2175.9-67.1165.3000110.3D401 Q408 T409D401-I405 VanDerWaalsContact O-CG1 3.3Å; D401-I405 WeakPolarHBondContact O-CG1 3.19Å; D401-I405 PolarHBondContact O-N 3.48Å; I405-Q408 PolarHBondContact O-N 2.92Å; I405-T409 HydrophobicContact CG2-CG2 4.19Å; I405-T409 WeakPolarHBondContact O-CB 3.16Å; I405-T409 WeakPolarHBondContact O-CG2 3.34Å; I405-T409 PolarHBondContact O-N 3.34Å; I405-T409 PolarHBondContact O-OG1 2.97Å
406N39.4Very low38.5Very low91 Ų9181.5 Ų81.549%0.48741%0.414SS..Hα-helixtrans-63.8-44.9179.6-73.3-2.1000112.3Q402 R403 I404 T409 I410Q402-N406 VanDerWaalsContact O-CB 3.3Å; Q402-N406 WeakPolarHBondContact O-CB 3.33Å; Q402-N406 PolarHBondContact O-N 3.04Å; Q402-N406 PolarHBondContact O-OD1 2.94Å; R403-N406 PolarHBondContact O-N 3.18Å; I404-N406 VanDerWaalsContact C-N 3.34Å; I404-N406 PolarHBondContact O-N 3.29Å; N406-T409 WeakPolarHBondContact CA-OG1 3.38Å; N406-T409 PolarHBondContact O-OG1 3.28Å; N406-I410 WeakPolarHBondContact O-CB 3.31Å; N406-I410 WeakPolarHBondContact O-CD1 3.24Å; N406-I410 WeakPolarHBondContact O-CG1 3.45Å; N406-I410 PolarHBondContact O-N 2.78Å
407M40.8Very low39.7Very low99 Ų9982.7 Ų82.749%0.48843%0.426SS..Hα-helixtrans-61.6-47.9173.5-82.3-161.1174.700112.2R403 I404 T409 I410 Y411R403-M407 PolarHBondContact O-N 2.87Å; I404-M407 PolarHBondContact O-N 2.72Å; M407-T409 VanDerWaalsContact C-N 3.31Å; M407-T409 PolarHBondContact O-N 3.04Å; M407-I410 PolarHBondContact O-N 2.87Å; M407-Y411 HydrophobicContact CB-CE2 4.22Å; M407-Y411 WeakPolarHBondContact O-CD2 3.37Å; M407-Y411 WeakPolarHBondContact O-CE2 3.26Å; M407-Y411 PolarHBondContact O-N 3.14Å
408Q39.6Very low40.7Very low33 Ų3387 Ų8715%0.15444%0.443CS..Hα-helixtrans-64.4-34.8-178.5-69.9-171.226.300113I404 I405 L412 S429I404-Q408 WeakPolarHBondContact O-CB 3.37Å; I404-Q408 WeakPolarHBondContact O-CG 3.33Å; I404-Q408 PolarHBondContact O-N 2.86Å; I405-Q408 PolarHBondContact O-N 2.92Å; Q408-L412 WeakPolarHBondContact O-CG 3.48Å; Q408-S429 WeakPolarHBondContact CG-OG 3.4Å
409T43.1Very low42Very low16 Ų1686.9 Ų86.910%0.09843%0.434CS..Hα-helixtrans-76.5-35.6177.550.40000112.5I364 I405 N406 M407 Y411 L412 Q413I364-T409 HydrophobicContact CG1-CG2 4.5Å; I405-T409 HydrophobicContact CG2-CG2 4.19Å; I405-T409 WeakPolarHBondContact O-CB 3.16Å; I405-T409 WeakPolarHBondContact O-CG2 3.34Å; I405-T409 PolarHBondContact O-N 3.34Å; I405-T409 PolarHBondContact O-OG1 2.97Å; N406-T409 WeakPolarHBondContact CA-OG1 3.38Å; N406-T409 PolarHBondContact O-OG1 3.28Å; M407-T409 VanDerWaalsContact C-N 3.31Å; M407-T409 PolarHBondContact O-N 3.04Å; T409-Y411 VanDerWaalsContact C-N 3.32Å; T409-Y411 PolarHBondContact O-N 3.41Å; T409-L412 PolarHBondContact O-N 2.81Å; T409-Q413 WeakPolarHBondContact O-CG 3.01Å; T409-Q413 PolarHBondContact O-N 2.99Å; T409-Q413 VanDerWaalsContact O-N 3.09Å
410I44.3Very low43.2Very low93 Ų9384.7 Ų84.748%0.47742%0.419SS..Hα-helixtrans-54.7-48.6170.6-73.6163.2000110.3N406 M407 L412 Q413N406-I410 WeakPolarHBondContact O-CB 3.31Å; N406-I410 WeakPolarHBondContact O-CD1 3.24Å; N406-I410 WeakPolarHBondContact O-CG1 3.45Å; N406-I410 PolarHBondContact O-N 2.78Å; M407-I410 PolarHBondContact O-N 2.87Å; I410-L412 PolarHBondContact O-N 2.78Å; I410-L412 VanDerWaalsContact O-N 3.12Å; I410-Q413 PolarHBondContact O-N 3.24Å
411Y48.8Very low44.3Very low56 Ų5683.2 Ų83.222%0.2241%0.412CS..Hα-helixtrans-65.7-14.4178.5-58.1-47.7000114.6M407 T409M407-Y411 HydrophobicContact CB-CE2 4.22Å; M407-Y411 WeakPolarHBondContact O-CD2 3.37Å; M407-Y411 WeakPolarHBondContact O-CE2 3.26Å; M407-Y411 PolarHBondContact O-N 3.14Å; T409-Y411 VanDerWaalsContact C-N 3.32Å; T409-Y411 PolarHBondContact O-N 3.41Å
412L46.9Very low45.2Very low30 Ų3082.3 Ų82.316%0.15740%0.404CS..Hα-helixtrans-97.8-16.5176.7-70.8170.6000113.4N360 I364 Q408 T409 I410 D414 C415N360-L412 HydrophobicContact CB-CD1 3.93Å; I364-L412 HydrophobicContact CD1-CB 3.87Å; I364-L412 HydrophobicContact CD1-CD1 4.22Å; Q408-L412 WeakPolarHBondContact O-CG 3.48Å; T409-L412 PolarHBondContact O-N 2.81Å; I410-L412 PolarHBondContact O-N 2.78Å; I410-L412 VanDerWaalsContact O-N 3.12Å; L412-D414 VanDerWaalsContact C-N 3.35Å; L412-D414 PolarHBondContact O-N 2.96Å; L412-C415 WeakPolarHBondContact O-CB 3.23Å; L412-C415 PolarHBondContact O-N 3.28Å
413Q44.8Very low46.2Very low144 Ų14477.4 Ų77.467%0.67338%0.38SS*.Hα-helixtrans-67.2-32.8-179.5-78.4175.4-0.400113T409 I410 C415T409-Q413 WeakPolarHBondContact O-CG 3.01Å; T409-Q413 PolarHBondContact O-N 2.99Å; T409-Q413 VanDerWaalsContact O-N 3.09Å; I410-Q413 PolarHBondContact O-N 3.24Å; Q413-C415 VanDerWaalsContact C-N 3.25Å; Q413-C415 PolarHBondContact O-N 3.06Å
414D46.3Very low47Very low118 Ų11870 Ų7063%0.63136%0.355SS*.THydrogen-bonded Turntrans-73.4-13.9176.9-70.2-24.8000113.5L412 N416L412-D414 VanDerWaalsContact C-N 3.35Å; L412-D414 PolarHBondContact O-N 2.96Å; D414-N416 PolarHBondContact O-N 3.29Å
415C48.1Very low47.6Very low22 Ų2269.9 Ų69.915%0.14936%0.356CS..SBendtrans-79.7109.2-176.1-75.70000112L412 Q413 S417L412-C415 WeakPolarHBondContact O-CB 3.23Å; L412-C415 PolarHBondContact O-N 3.28Å; Q413-C415 VanDerWaalsContact C-N 3.25Å; Q413-C415 PolarHBondContact O-N 3.06Å; C415-S417 PolarHBondContact O-N 2.87Å; C415-S417 VanDerWaalsContact O-N 3.1Å
416N51.2Low48.1Very low92 Ų9271 Ų7149%0.49236%0.356SS..  trans-61.7115173.3-175.4-37.9000111.2D414 M418 K419D414-N416 PolarHBondContact O-N 3.29Å; N416-M418 VanDerWaalsContact C-N 3.26Å; N416-M418 PolarHBondContact O-N 3.18Å; N416-M418 PolarHBondContact OD1-N 3.16Å; N416-M418 VanDerWaalsContact OD1-N 3.16Å; N416-K419 PolarHBondContact O-N 2.83Å
417S49.7Very low48.9Very low97 Ų9768.2 Ų68.268%0.67834%0.339SS*.G310 helixtrans-42.4-43.1-178.21790000114.9C415 K419 W420C415-S417 PolarHBondContact O-N 2.87Å; C415-S417 VanDerWaalsContact O-N 3.1Å; S417-K419 PolarHBondContact O-N 3.44Å; S417-K419 VanDerWaalsContact O-N 3.17Å; S417-W420 VanDerWaalsContact O-CB 3.23Å; S417-W420 WeakPolarHBondContact O-CB 2.94Å; S417-W420 PolarHBondContact O-N 3Å
418M49.5Very low49.5Very low169 Ų16964.7 Ų64.783%0.83332%0.323SS*.G310 helixtrans-68.2-15.9-178.9-72.1-60.6-5700114.4N416N416-M418 VanDerWaalsContact C-N 3.26Å; N416-M418 PolarHBondContact O-N 3.18Å; N416-M418 PolarHBondContact OD1-N 3.16Å; N416-M418 VanDerWaalsContact OD1-N 3.16Å
419K52.9Low50.1Low61 Ų6164.1 Ų64.127%0.26532%0.323SS..G310 helixtrans-95.6-5.7174.4-63-171-179-174.60112.9N416 S417 M421 F422 Y423 Y509N416-K419 PolarHBondContact O-N 2.83Å; S417-K419 PolarHBondContact O-N 3.44Å; S417-K419 VanDerWaalsContact O-N 3.17Å; K419-M421 VanDerWaalsContact C-N 3.25Å; K419-M421 PolarHBondContact O-N 3.39Å; K419-M421 VanDerWaalsContact O-N 3.12Å; K419-F422 WeakPolarHBondContact O-CD2 3.3Å; K419-F422 PolarHBondContact O-N 2.81Å; K419-Y423 HydrophobicContact CB-CD2 4.46Å; K419-Y423 HydrophobicContact CB-CE2 3.86Å; K419-Y423 WeakPolarHBondContact O-CD2 2.89Å; K419-Y509 HydrophobicContact CD-CD1 3.4Å; K419-Y509 VanDerWaalsContact CD-CD1 3.4Å; K419-Y509 HydrophobicContact CD-CE1 3.65Å; K419-Y509 HydrophobicContact CD-CG 4.27Å
420W53.6Low50.7Low55 Ų5563.7 Ų63.721%0.20832%0.319CS..G310 helixtrans-62.6-26.3-164.9-166.639.8000114.6Q361 S417 F422 Y423 Q594Q361-W420 HydrophobicContact CG-CH2 3.57Å; Q361-W420 HydrophobicContact CG-CZ3 4.04Å; S417-W420 VanDerWaalsContact O-CB 3.23Å; S417-W420 WeakPolarHBondContact O-CB 2.94Å; S417-W420 PolarHBondContact O-N 3Å; W420-F422 PolarHBondContact O-N 2.72Å; W420-Y423 CarbonylContact O-C 3.02Å; W420-Y423 WeakPolarHBondContact O-CA 3.26Å; W420-Y423 PolarHBondContact O-N 2.87Å; W420-Q594 VanDerWaalsContact CH2-NE2 3.3Å
421M51.2Low51.3Low77 Ų7759.4 Ų59.438%0.37930%0.298SS..G310 helixtrans-53.4-37.6172.6-170.7-177.673.500113.2K419 Y423 T424 F488K419-M421 VanDerWaalsContact C-N 3.25Å; K419-M421 PolarHBondContact O-N 3.39Å; K419-M421 VanDerWaalsContact O-N 3.12Å; M421-Y423 VanDerWaalsContact C-N 3.25Å; M421-Y423 PolarHBondContact O-N 2.84Å; M421-T424 WeakPolarHBondContact O-CG2 2.94Å; M421-T424 PolarHBondContact O-N 2.87Å; M421-T424 PolarHBondContact O-OG1 3.36Å; M421-F488 HydrophobicContact CE-CD2 3.53Å; M421-F488 HydrophobicContact CE-CE2 3.52Å; M421-F488 HydrophobicContact CE-CG 4.09Å; M421-F488 HydrophobicContact CE-CZ 4.08Å; M421-F488 HydrophobicContact CG-CD2 4.3Å; M421-F488 HydrophobicContact SD-CD2 3.97Å; M421-F488 HydrophobicContact SD-CE2 4.12Å
422F53.5Low51.6Low58 Ų5857.2 Ų57.225%0.25429%0.29SS..G310 helixtrans-78.2-7.2178.5-55.9-69.5000114K419 W420 F488 V510K419-F422 WeakPolarHBondContact O-CD2 3.3Å; K419-F422 PolarHBondContact O-N 2.81Å; W420-F422 PolarHBondContact O-N 2.72Å; F422-F488 HydrophobicContact CD1-CB 4.33Å; F422-F488 HydrophobicContact CD1-CD1 4.15Å; F422-F488 HydrophobicContact CD1-CG 4.4Å; F422-F488 AromaticContact CE1-CD1 3.96Å; F422-F488 HydrophobicContact CE1-CD1 3.96Å; F422-F488 HydrophobicContact CE1-CE1 4.22Å; F422-F488 HydrophobicContact CE1-CG 4.44Å; F422-V510 HydrophobicContact CB-CB 3.84Å; F422-V510 HydrophobicContact CB-CG1 4.09Å; F422-V510 HydrophobicContact CB-CG2 4.14Å; F422-V510 HydrophobicContact CD1-CG1 4.47Å; F422-V510 HydrophobicContact CG-CB 4.47Å
423Y53.7Low51.7Low17 Ų1755.8 Ų55.87%0.06728%0.283CS..G310 helixtrans-108.625.7175.8-57.3-84.9000110.7K419 W420 M421 T425 V432 P433 W507 Y509K419-Y423 HydrophobicContact CB-CD2 4.46Å; K419-Y423 HydrophobicContact CB-CE2 3.86Å; K419-Y423 WeakPolarHBondContact O-CD2 2.89Å; W420-Y423 CarbonylContact O-C 3.02Å; W420-Y423 WeakPolarHBondContact O-CA 3.26Å; W420-Y423 PolarHBondContact O-N 2.87Å; M421-Y423 VanDerWaalsContact C-N 3.25Å; M421-Y423 PolarHBondContact O-N 2.84Å; Y423-T425 VanDerWaalsContact O-CG2 3.24Å; Y423-T425 WeakPolarHBondContact O-CG2 3.33Å; Y423-V432 HydrophobicContact CD1-CG1 3.37Å; Y423-V432 HydrophobicContact CE1-CG1 3.99Å; Y423-V432 HydrophobicContact CG-CG1 4.17Å; Y423-P433 HydrophobicContact CD1-CG 4.06Å; Y423-P433 WeakPolarHBondContact CD1-O 3.11Å; Y423-P433 WeakPolarHBondContact CE1-O 2.89Å; Y423-W507 HydrophobicContact CE1-CE3 4.43Å; Y423-W507 HydrophobicContact CE1-CZ3 4.21Å; Y423-Y509 WeakPolarHBondContact OH-CD1 3.48Å
424T51.2Low52Low26 Ų2649 Ų4916%0.1625%0.251CS..  trans-84.3119.8172.455.50000109.6M421 S486 S489 P490M421-T424 WeakPolarHBondContact O-CG2 2.94Å; M421-T424 PolarHBondContact O-N 2.87Å; M421-T424 PolarHBondContact O-OG1 3.36Å; T424-S486 PolarHBondContact OG1-OG 3.06Å; T424-S489 WeakPolarHBondContact O-CA 3.3Å; T424-P490 VanDerWaalsContact O-CD 3.27Å; T424-P490 WeakPolarHBondContact O-CD 3.3Å
425T52Low52.4Low36 Ų3643.6 Ų43.622%0.22122%0.222CC..  trans-148.9155.1-165.9105.50000112.6Y423 W427 P433 P490Y423-T425 VanDerWaalsContact O-CG2 3.24Å; Y423-T425 WeakPolarHBondContact O-CG2 3.33Å; T425-W427 VanDerWaalsContact C-N 3.27Å; T425-W427 WeakPolarHBondContact OG1-CA 3.27Å; T425-W427 WeakPolarHBondContact OG1-CB 2.92Å; T425-W427 PolarHBondContact OG1-N 3.16Å; T425-W427 PolarHBondContact OG1-O 2.89Å; T425-P433 HydrophobicContact CG2-CG 4.05Å; T425-P490 HydrophobicContact CG2-CG 4.27Å
426R50.1Low52.5Low101 Ų10143.8 Ų43.838%0.38122%0.221SC..SBendtrans-81.6-6.2163.4-77.3178.6164.9175.6-4.1113.4R452 L485R426-R452 PolarHBondContact O-NH1 3.27Å; R426-L485 HydrophobicContact CG-CD1 4.41Å
427W55.1Low52.7Low33 Ų3339.5 Ų39.513%0.12520%0.198CC..SBendtrans-89.9144.2-172.9-56.623.5000108.2T425 L431 I479 D481 P490 L493T425-W427 VanDerWaalsContact C-N 3.27Å; T425-W427 WeakPolarHBondContact OG1-CA 3.27Å; T425-W427 WeakPolarHBondContact OG1-CB 2.92Å; T425-W427 PolarHBondContact OG1-N 3.16Å; T425-W427 PolarHBondContact OG1-O 2.89Å; W427-L431 HydrophobicContact CB-CB 4.05Å; W427-L431 HydrophobicContact CE3-CB 4.13Å; W427-L431 HydrophobicContact CE3-CD1 4.2Å; W427-I479 HydrophobicContact CH2-CB 3.94Å; W427-I479 HydrophobicContact CH2-CG2 3.52Å; W427-I479 HydrophobicContact CZ2-CG2 4.17Å; W427-I479 HydrophobicContact CZ3-CG2 4.38Å; W427-D481 HydrophobicContact CZ2-CB 3.86Å; W427-D481 PolarHBondContact NE1-OD2 3.44Å; W427-P490 HydrophobicContact CD2-CG 4.32Å; W427-P490 HydrophobicContact CG-CG 4.38Å; W427-L493 HydrophobicContact CE3-CB 4.31Å; W427-L493 HydrophobicContact CE3-CD2 4.17Å; W427-L493 HydrophobicContact CH2-CB 3.93Å; W427-L493 HydrophobicContact CZ3-CB 3.37Å; W427-L493 HydrophobicContact CZ3-CD2 3.58Å; W427-L493 HydrophobicContact CZ3-CG 4.08Å
428P53.4Low52.9Low25 Ų2535.8 Ų35.816%0.16217%0.171CC..  trans-62.5158.6179.625-34.6000112.2F430 L431 T455P428-F430 HydrophobicContact CB-CD1 3.91Å; P428-F430 HydrophobicContact CB-CE1 3.5Å; P428-F430 VanDerWaalsContact CB-CE1 3.5Å; P428-F430 HydrophobicContact CB-CE2 4.23Å; P428-F430 HydrophobicContact CB-CG 4.44Å; P428-F430 HydrophobicContact CB-CZ 3.69Å; P428-F430 HydrophobicContact CG-CD1 4.28Å; P428-F430 HydrophobicContact CG-CD2 4.12Å; P428-F430 HydrophobicContact CG-CE1 3.71Å; P428-F430 HydrophobicContact CG-CE2 3.53Å; P428-F430 HydrophobicContact CG-CG 4.48Å; P428-F430 HydrophobicContact CG-CZ 3.3Å; P428-F430 PolarHBondContact O-N 3.48Å; P428-L431 HydrophobicContact CG-CB 4.21Å; P428-L431 HydrophobicContact CG-CD1 4.15Å; P428-L431 HydrophobicContact CG-CG 4.21Å; P428-L431 WeakPolarHBondContact O-CA 3.35Å; P428-L431 WeakPolarHBondContact O-CB 2.94Å; P428-L431 PolarHBondContact O-N 3.22Å; P428-T455 HydrophobicContact CG-CG2 4.04Å
429S53.8Low53Low21 Ų2131.1 Ų31.115%0.14715%0.147CC..G310 helixtrans-59.1-20.8-174.350.60000115.1Q408 L431 V432Q408-S429 WeakPolarHBondContact CG-OG 3.4Å; S429-L431 VanDerWaalsContact C-N 3.32Å; S429-V432 WeakPolarHBondContact O-CG2 3.45Å
430F55.4Low52.9Low6 Ų631.3 Ų31.33%0.02615%0.151CC..G310 helixtrans-80.1-12173.558.7-104.4000113.8P428 R435 F441 W446 L450 R451 T455 F459P428-F430 HydrophobicContact CB-CD1 3.91Å; P428-F430 HydrophobicContact CB-CE1 3.5Å; P428-F430 VanDerWaalsContact CB-CE1 3.5Å; P428-F430 HydrophobicContact CB-CE2 4.23Å; P428-F430 HydrophobicContact CB-CG 4.44Å; P428-F430 HydrophobicContact CB-CZ 3.69Å; P428-F430 HydrophobicContact CG-CD1 4.28Å; P428-F430 HydrophobicContact CG-CD2 4.12Å; P428-F430 HydrophobicContact CG-CE1 3.71Å; P428-F430 HydrophobicContact CG-CE2 3.53Å; P428-F430 HydrophobicContact CG-CG 4.48Å; P428-F430 HydrophobicContact CG-CZ 3.3Å; P428-F430 PolarHBondContact O-N 3.48Å; F430-R435 PolarHBondContact O-NH1 3.22Å; F430-F441 HydrophobicContact CB-CZ 4.03Å; F430-F441 AromaticContact CD2-CE1 3.97Å; F430-F441 HydrophobicContact CD2-CE1 3.97Å; F430-F441 AromaticContact CD2-CZ 3.8Å; F430-F441 HydrophobicContact CD2-CZ 3.8Å; F430-F441 HydrophobicContact CG-CZ 4.32Å; F430-F441 WeakPolarHBondContact O-CZ 3.3Å; F430-W446 HydrophobicContact CD2-CH2 4.16Å; F430-W446 HydrophobicContact CG-CH2 4.31Å; F430-L450 HydrophobicContact CE1-CB 3.98Å; F430-L450 WeakPolarHBondContact CE1-O 3.35Å; F430-R451 HydrophobicContact CZ-CG 4.25Å; F430-T455 HydrophobicContact CE2-CG2 4.33Å; F430-T455 HydrophobicContact CZ-CG2 4.4Å; F430-F459 HydrophobicContact CE2-CE2 4.12Å
431L55.4Low52.9Low4 Ų429.3 Ų29.32%0.02114%0.144CC..G310 helixtrans-105.315.2178-84.8-167.5000113.7W427 P428 S429 L437 F441 T455 F459 L493W427-L431 HydrophobicContact CB-CB 4.05Å; W427-L431 HydrophobicContact CE3-CB 4.13Å; W427-L431 HydrophobicContact CE3-CD1 4.2Å; P428-L431 HydrophobicContact CG-CB 4.21Å; P428-L431 HydrophobicContact CG-CD1 4.15Å; P428-L431 HydrophobicContact CG-CG 4.21Å; P428-L431 WeakPolarHBondContact O-CA 3.35Å; P428-L431 WeakPolarHBondContact O-CB 2.94Å; P428-L431 PolarHBondContact O-N 3.22Å; S429-L431 VanDerWaalsContact C-N 3.32Å; L431-L437 HydrophobicContact CD2-CD1 3.56Å; L431-F441 HydrophobicContact CD2-CE1 4.14Å; L431-T455 HydrophobicContact CD1-CG2 3.82Å; L431-F459 HydrophobicContact CD1-CE2 4Å; L431-F459 HydrophobicContact CD1-CZ 4.28Å; L431-F459 HydrophobicContact CD2-CE2 4.07Å; L431-F459 HydrophobicContact CD2-CZ 3.56Å; L431-F459 HydrophobicContact CG-CE2 4.21Å; L431-F459 HydrophobicContact CG-CZ 4.19Å; L431-L493 HydrophobicContact CD2-CD2 3.64Å
432V56.4Low53Low9 Ų925.7 Ų25.76%0.05513%0.126CC..  trans-55133.1-174166.20000112.2Y423 S429 G434 R435 W507Y423-V432 HydrophobicContact CD1-CG1 3.37Å; Y423-V432 HydrophobicContact CE1-CG1 3.99Å; Y423-V432 HydrophobicContact CG-CG1 4.17Å; S429-V432 WeakPolarHBondContact O-CG2 3.45Å; V432-G434 PolarHBondContact O-N 3.29Å; V432-R435 WeakPolarHBondContact O-CB 3.2Å; V432-R435 PolarHBondContact O-N 2.82Å; V432-R435 VanDerWaalsContact O-N 3.14Å; V432-W507 HydrophobicContact CB-CH2 4.49Å; V432-W507 HydrophobicContact CB-CZ3 4.37Å; V432-W507 HydrophobicContact CG1-CH2 4.12Å; V432-W507 HydrophobicContact CG1-CZ3 3.67Å
433P49.5Very low52.9Low1 Ų128 Ų281%0.00614%0.136CC..THydrogen-bonded Turntrans-57.6139-174.420.1-32.5000111.4Y423 T425 P490 V510Y423-P433 HydrophobicContact CD1-CG 4.06Å; Y423-P433 WeakPolarHBondContact CD1-O 3.11Å; Y423-P433 WeakPolarHBondContact CE1-O 2.89Å; T425-P433 HydrophobicContact CG2-CG 4.05Å; P433-P490 HydrophobicContact CB-CB 3.75Å; P433-P490 HydrophobicContact CG-CB 3.83Å; P433-V510 HydrophobicContact CB-CG2 4.13Å; P433-V510 HydrophobicContact CG-CG2 4.31Å
434G51.2Low52.7Low1 Ų130.4 Ų30.41%0.0115%0.154CC..THydrogen-bonded Turntrans91-16-175.400000115.6V432 M436 I508V432-G434 PolarHBondContact O-N 3.29Å; G434-M436 PolarHBondContact O-N 3.45Å; G434-I508 WeakPolarHBondContact CA-O 3.08Å; G434-I508 PolarHBondContact O-N 3.23Å
435R53Low52.4Low5 Ų535.5 Ų35.52%0.01918%0.18CC..BIsolated β-bridgetrans-65.6132.7167.9-167.9179.5-176-174.56.4109.8F430 V432 L437 L493 E505F430-R435 PolarHBondContact O-NH1 3.22Å; V432-R435 WeakPolarHBondContact O-CB 3.2Å; V432-R435 PolarHBondContact O-N 2.82Å; V432-R435 VanDerWaalsContact O-N 3.14Å; R435-L437 HydrophobicContact CG-CD2 4.11Å; R435-L493 VanDerWaalsContact O-CD1 3.31Å; R435-L493 WeakPolarHBondContact O-CD1 3.35Å; R435-E505 IonicContact CZ-OE1 3.73Å; R435-E505 IonicContact CZ-OE2 3.59Å; R435-E505 IonicContact NE-OE1 3.92Å; R435-E505 IonicContact NE-OE2 3.71Å; R435-E505 PolarHBondContact NE-OE2 3.47Å; R435-E505 IonicContact NH2-OE1 2.81Å; R435-E505 PolarHBondContact NH2-OE1 2.73Å; R435-E505 IonicContact NH2-OE2 3.54Å; R435-E505 PolarHBondContact NH2-OE2 2.85Å
436M51.4Low51.9Low25 Ų2538 Ų3812%0.12319%0.186CC..EExtended strand (participates in β ladder)trans-86.5109.1173.4-171.5-176.2101.100109.6G434 I496 P502 K506G434-M436 PolarHBondContact O-N 3.45Å; M436-I496 HydrophobicContact CE-CD1 4.38Å; M436-I496 HydrophobicContact CG-CB 4.5Å; M436-I496 HydrophobicContact CG-CD1 3.66Å; M436-I496 HydrophobicContact CG-CG1 3.78Å; M436-I496 HydrophobicContact SD-CD1 3.47Å; M436-I496 WeakPolarHBondContact SD-CD1 3.36Å; M436-I496 HydrophobicContact SD-CG1 4.23Å; M436-P502 HydrophobicContact CE-CB 4.34Å; M436-K506 HydrophobicContact CB-CB 4.37Å; M436-K506 WeakPolarHBondContact CB-O 3.45Å; M436-K506 PolarHBondContact N-O 2.95Å; M436-K506 HydrophobicContact SD-CB 4.06Å
437L55.6Low51.6Low2 Ų233.3 Ų33.31%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-89.6155.3177.8-60.1-175.4000112.4L431 R435 F441 L493 R494 I495 I496L431-L437 HydrophobicContact CD2-CD1 3.56Å; R435-L437 HydrophobicContact CG-CD2 4.11Å; L437-F441 HydrophobicContact CD1-CD1 3.71Å; L437-F441 HydrophobicContact CD1-CE1 3.77Å; L437-F441 HydrophobicContact CD1-CG 4.44Å; L437-F441 HydrophobicContact CD2-CD1 3.85Å; L437-F441 HydrophobicContact CD2-CD2 3.97Å; L437-F441 HydrophobicContact CD2-CE1 3.76Å; L437-F441 HydrophobicContact CD2-CE2 3.9Å; L437-F441 HydrophobicContact CD2-CG 3.92Å; L437-F441 HydrophobicContact CD2-CZ 3.76Å; L437-F441 HydrophobicContact CG-CD1 4.28Å; L437-F441 HydrophobicContact CG-CE1 4.41Å; L437-L493 HydrophobicContact CD1-CD2 3.78Å; L437-R494 PolarHBondContact N-O 2.74Å; L437-I495 HydrophobicContact CB-CB 4.39Å; L437-I495 HydrophobicContact CB-CG1 4.17Å; L437-I495 HydrophobicContact CB-CG2 4.07Å; L437-I495 HydrophobicContact CD1-CG1 4.39Å; L437-I496 PolarHBondContact O-N 3.37Å
438T53.9Low50.9Low20 Ų2037.3 Ų37.312%0.12319%0.191CC..  trans-129.2164.6-171.472.50000110.3N440 F441 P502T438-N440 PolarHBondContact O-N 3.39Å; T438-N440 VanDerWaalsContact O-N 3.16Å; T438-F441 WeakPolarHBondContact O-CB 2.82Å; T438-F441 PolarHBondContact O-N 3.09Å; T438-P502 HydrophobicContact CG2-CG 3.52Å
439E50.9Low50.4Low71 Ų7140.3 Ų40.333%0.33221%0.211SC..G310 helixtrans-57.9-31.1-177.8-176.2175.8-150.500113.6F441 L442 Y497E439-F441 PolarHBondContact O-N 2.94Å; E439-F441 VanDerWaalsContact O-N 3.13Å; E439-L442 WeakPolarHBondContact O-CB 3.46Å; E439-L442 PolarHBondContact O-N 2.87Å; E439-Y497 HydrophobicContact CB-CD2 4.36Å; E439-Y497 HydrophobicContact CB-CE2 4.14Å; E439-Y497 HydrophobicContact CG-CE2 3.89Å; E439-Y497 VanDerWaalsContact OE1-CE2 3.29Å; E439-Y497 WeakPolarHBondContact OE1-CE2 3.45Å; E439-Y497 PolarHBondContact OE1-OH 2.82Å; E439-Y497 PolarHBondContact OE2-OH 2.95Å
440N51.5Low49.9Very low64 Ų6441.3 Ų41.334%0.34222%0.215SC..G310 helixtrans-58.6-26.6174.3-80.6-35.9000113.1T438 L442 K443 E501T438-N440 PolarHBondContact O-N 3.39Å; T438-N440 VanDerWaalsContact O-N 3.16Å; N440-L442 VanDerWaalsContact C-N 3.27Å; N440-L442 PolarHBondContact O-N 2.84Å; N440-K443 WeakPolarHBondContact OD1-CE 3.16Å; N440-K443 PolarHBondContact OD1-NZ 3.22Å; N440-E501 PolarHBondContact ND2-OE1 3.32Å
441F52.6Low49.5Very low13 Ų1342.6 Ų42.66%0.05722%0.219CC..G310 helixtrans-78.9-5.7176-147.8-94.1000113.7F430 L431 L437 T438 E439 W446 F459F430-F441 HydrophobicContact CB-CZ 4.03Å; F430-F441 AromaticContact CD2-CE1 3.97Å; F430-F441 HydrophobicContact CD2-CE1 3.97Å; F430-F441 AromaticContact CD2-CZ 3.8Å; F430-F441 HydrophobicContact CD2-CZ 3.8Å; F430-F441 HydrophobicContact CG-CZ 4.32Å; F430-F441 WeakPolarHBondContact O-CZ 3.3Å; L431-F441 HydrophobicContact CD2-CE1 4.14Å; L437-F441 HydrophobicContact CD1-CD1 3.71Å; L437-F441 HydrophobicContact CD1-CE1 3.77Å; L437-F441 HydrophobicContact CD1-CG 4.44Å; L437-F441 HydrophobicContact CD2-CD1 3.85Å; L437-F441 HydrophobicContact CD2-CD2 3.97Å; L437-F441 HydrophobicContact CD2-CE1 3.76Å; L437-F441 HydrophobicContact CD2-CE2 3.9Å; L437-F441 HydrophobicContact CD2-CG 3.92Å; L437-F441 HydrophobicContact CD2-CZ 3.76Å; L437-F441 HydrophobicContact CG-CD1 4.28Å; L437-F441 HydrophobicContact CG-CE1 4.41Å; T438-F441 WeakPolarHBondContact O-CB 2.82Å; T438-F441 PolarHBondContact O-N 3.09Å; E439-F441 PolarHBondContact O-N 2.94Å; E439-F441 VanDerWaalsContact O-N 3.13Å; F441-W446 HydrophobicContact CD1-CH2 4.31Å; F441-W446 AromaticContact CD1-CZ2 3.54Å; F441-W446 HydrophobicContact CD1-CZ2 3.54Å; F441-W446 AromaticContact CD2-CH2 3.95Å; F441-W446 HydrophobicContact CD2-CH2 3.95Å; F441-W446 AromaticContact CD2-CZ2 3.73Å; F441-W446 HydrophobicContact CD2-CZ2 3.73Å; F441-W446 HydrophobicContact CD2-CZ3 4.46Å; F441-W446 AromaticContact CE1-CH2 3.78Å; F441-W446 HydrophobicContact CE1-CH2 3.78Å; F441-W446 AromaticContact CE1-CZ2 3.36Å; F441-W446 HydrophobicContact CE1-CZ2 3.36Å; F441-W446 AromaticContact CE2-CH2 3.36Å; F441-W446 HydrophobicContact CE2-CH2 3.36Å; F441-W446 AromaticContact CE2-CZ2 3.56Å; F441-W446 HydrophobicContact CE2-CZ2 3.56Å; F441-W446 AromaticContact CE2-CZ3 3.98Å; F441-W446 HydrophobicContact CE2-CZ3 3.98Å; F441-W446 HydrophobicContact CG-CH2 4.41Å; F441-W446 AromaticContact CG-CZ2 3.75Å; F441-W446 HydrophobicContact CG-CZ2 3.75Å; F441-W446 AromaticContact CZ-CH2 3.28Å; F441-W446 HydrophobicContact CZ-CH2 3.28Å; F441-W446 AromaticContact CZ-CZ2 3.39Å; F441-W446 HydrophobicContact CZ-CZ2 3.39Å; F441-W446 HydrophobicContact CZ-CZ3 4.31Å; F441-W446 PolarHBondContact O-NE1 2.91Å; F441-F459 AromaticContact CD1-CE1 3.86Å; F441-F459 HydrophobicContact CD1-CE1 3.86Å; F441-F459 AromaticContact CD1-CZ 3.71Å; F441-F459 HydrophobicContact CD1-CZ 3.71Å; F441-F459 HydrophobicContact CE1-CE1 4.28Å; F441-F459 HydrophobicContact CE1-CE2 4.46Å; F441-F459 AromaticContact CE1-CZ 3.64Å; F441-F459 HydrophobicContact CE1-CZ 3.64Å
442L53.1Low49Very low2 Ų245.3 Ų45.31%0.0123%0.229CC..THydrogen-bonded Turntrans-103.8-22.2-179.3-57.2178.5000112.9E439 N440 F459 I462 I466 I495E439-L442 WeakPolarHBondContact O-CB 3.46Å; E439-L442 PolarHBondContact O-N 2.87Å; N440-L442 VanDerWaalsContact C-N 3.27Å; N440-L442 PolarHBondContact O-N 2.84Å; L442-F459 HydrophobicContact CD2-CD1 3.61Å; L442-F459 HydrophobicContact CD2-CE1 3.7Å; L442-I462 HydrophobicContact CD1-CG2 4.29Å; L442-I462 HydrophobicContact CD2-CG2 3.92Å; L442-I466 HydrophobicContact CD1-CD1 3.21Å; L442-I495 HydrophobicContact CD2-CD1 4.28Å
443K52Low48.8Very low106 Ų10646.8 Ų46.846%0.46124%0.242SC..SBendtrans-50.7130.4173.3-67.6175.8179171.10109.6N440 N445N440-K443 WeakPolarHBondContact OD1-CE 3.16Å; N440-K443 PolarHBondContact OD1-NZ 3.22Å; K443-N445 PolarHBondContact O-N 3.06Å
444P48.5Very low49.1Very low68 Ų6849.3 Ų49.344%0.44226%0.26SS..THydrogen-bonded Turntrans-62.7-25.9-16721.1-32.9000114L448P444-L448 WeakPolarHBondContact O-CD1 3.26Å
445N46.2Very low49.4Very low132 Ų13249.8 Ų49.871%0.70626%0.263SS*.THydrogen-bonded Turntrans-88.7-16.7-164.9-68.63.7000116.1K443 A447 L448K443-N445 PolarHBondContact O-N 3.06Å; N445-A447 VanDerWaalsContact C-N 3.32Å; N445-A447 PolarHBondContact O-N 3.41Å; N445-L448 HydrophobicContact CB-CD1 4.48Å
446W42.1Very low49.7Very low89 Ų8953.7 Ų53.734%0.33728%0.28SS..THydrogen-bonded Turntrans-72.1-19.5-166.878.6-94.5000114.8F430 F441 R451F430-W446 HydrophobicContact CD2-CH2 4.16Å; F430-W446 HydrophobicContact CG-CH2 4.31Å; F441-W446 HydrophobicContact CD1-CH2 4.31Å; F441-W446 AromaticContact CD1-CZ2 3.54Å; F441-W446 HydrophobicContact CD1-CZ2 3.54Å; F441-W446 AromaticContact CD2-CH2 3.95Å; F441-W446 HydrophobicContact CD2-CH2 3.95Å; F441-W446 AromaticContact CD2-CZ2 3.73Å; F441-W446 HydrophobicContact CD2-CZ2 3.73Å; F441-W446 HydrophobicContact CD2-CZ3 4.46Å; F441-W446 AromaticContact CE1-CH2 3.78Å; F441-W446 HydrophobicContact CE1-CH2 3.78Å; F441-W446 AromaticContact CE1-CZ2 3.36Å; F441-W446 HydrophobicContact CE1-CZ2 3.36Å; F441-W446 AromaticContact CE2-CH2 3.36Å; F441-W446 HydrophobicContact CE2-CH2 3.36Å; F441-W446 AromaticContact CE2-CZ2 3.56Å; F441-W446 HydrophobicContact CE2-CZ2 3.56Å; F441-W446 AromaticContact CE2-CZ3 3.98Å; F441-W446 HydrophobicContact CE2-CZ3 3.98Å; F441-W446 HydrophobicContact CG-CH2 4.41Å; F441-W446 AromaticContact CG-CZ2 3.75Å; F441-W446 HydrophobicContact CG-CZ2 3.75Å; F441-W446 AromaticContact CZ-CH2 3.28Å; F441-W446 HydrophobicContact CZ-CH2 3.28Å; F441-W446 AromaticContact CZ-CZ2 3.39Å; F441-W446 HydrophobicContact CZ-CZ2 3.39Å; F441-W446 HydrophobicContact CZ-CZ3 4.31Å; F441-W446 PolarHBondContact O-NE1 2.91Å; W446-R451 VanDerWaalsContact NE1-NH2 3.17Å
447A41.9Very low50Low2 Ų253.6 Ų53.62%0.01728%0.279CS..THydrogen-bonded Turntrans-148.637-174.300000115.5N445 P449 L450N445-A447 VanDerWaalsContact C-N 3.32Å; N445-A447 PolarHBondContact O-N 3.41Å; A447-P449 VanDerWaalsContact C-CD 3.45Å; A447-L450 HydrophobicContact CB-CB 4.32Å; A447-L450 HydrophobicContact CB-CD1 4.47Å; A447-L450 PolarHBondContact O-N 2.94Å; A447-L450 VanDerWaalsContact O-N 3.14Å
448L41.8Very low50.3Low117 Ų11754.8 Ų54.861%0.61329%0.285SS*.G310 helixtrans-46.7-48174.4-90.786.7000114.7P444 N445 L450P444-L448 WeakPolarHBondContact O-CD1 3.26Å; N445-L448 HydrophobicContact CB-CD1 4.48Å; L448-L450 PolarHBondContact O-N 3.12Å
449P41.6Very low50.7Low89 Ų8954 Ų5458%0.57828%0.28SS*.G310 helixtrans-75.7-0.6-174.830.1-36.1000114.7A447A447-P449 VanDerWaalsContact C-CD 3.45Å
450L43.1Very low51.2Low42 Ų4252 Ų5222%0.2227%0.272CS..G310 helixtrans-115.5-7.8-169.7-76169.4000114.8I404 F430 A447 L448I404-L450 HydrophobicContact CB-CD2 4.47Å; I404-L450 HydrophobicContact CG1-CD2 4.04Å; I404-L450 HydrophobicContact CG2-CD2 3.85Å; F430-L450 HydrophobicContact CE1-CB 3.98Å; F430-L450 WeakPolarHBondContact CE1-O 3.35Å; A447-L450 HydrophobicContact CB-CB 4.32Å; A447-L450 HydrophobicContact CB-CD1 4.47Å; A447-L450 PolarHBondContact O-N 2.94Å; A447-L450 VanDerWaalsContact O-N 3.14Å; L448-L450 PolarHBondContact O-N 3.12Å
451R47.1Very low51.6Low32 Ų3249.4 Ų49.412%0.12126%0.258CS..  trans-95.2126.4-174.8-64.8-179.4-178.4-178.4-0.2111.8F430 W446 K456 F459 D460F430-R451 HydrophobicContact CZ-CG 4.25Å; W446-R451 VanDerWaalsContact NE1-NH2 3.17Å; R451-K456 HydrophobicContact CB-CB 3.99Å; R451-F459 VanDerWaalsContact NH1-CB 3.27Å; R451-D460 IonicContact NH1-OD1 2.73Å
452R46.3Very low52.1Low62 Ų6249.1 Ų49.123%0.23426%0.257CS..  trans-54.9151.9159.3-74.8-178.3164.7153.63.9109.5D353 R426 S454 T455 K456D353-R452 VanDerWaalsContact CG-NH1 3.33Å; D353-R452 VanDerWaalsContact CG-NH2 3.32Å; D353-R452 IonicContact OD1-CZ 2.66Å; D353-R452 IonicContact OD1-NH1 2.63Å; D353-R452 PolarHBondContact OD1-NH1 3.17Å; D353-R452 IonicContact OD1-NH2 2.74Å; D353-R452 PolarHBondContact OD1-NH2 2.93Å; D353-R452 IonicContact OD2-CZ 3.45Å; D353-R452 IonicContact OD2-NH1 2.67Å; D353-R452 PolarHBondContact OD2-NH1 3.08Å; D353-R452 IonicContact OD2-NH2 2.67Å; D353-R452 PolarHBondContact OD2-NH2 3.39Å; R426-R452 PolarHBondContact O-NH1 3.27Å; R452-S454 VanDerWaalsContact C-N 3.31Å; R452-S454 PolarHBondContact O-N 3.31Å; R452-T455 CarbonylContact O-C 3.23Å; R452-T455 PolarHBondContact O-N 2.73Å; R452-K456 PolarHBondContact O-N 3.05Å
453A51.9Low52.6Low40 Ų4050.8 Ų50.833%0.33127%0.266SS..Hα-helixtrans-54.2-45.1179.300000112.6W335 C339 K456 Q457W335-A453 PolarHBondContact NE1-O 3.21Å; C339-A453 HydrophobicContact CB-CB 4.46Å; A453-K456 PolarHBondContact O-N 3.21Å; A453-Q457 PolarHBondContact O-N 3.45Å
454S56.2Low53Low54 Ų5449.9 Ų49.938%0.37826%0.259SS..Hα-helixtrans-65.1-40.7174.352.70000113.3R452 K456 Q457 L458R452-S454 VanDerWaalsContact C-N 3.31Å; R452-S454 PolarHBondContact O-N 3.31Å; S454-K456 VanDerWaalsContact C-N 3.35Å; S454-Q457 PolarHBondContact O-N 3.35Å; S454-L458 WeakPolarHBondContact O-CB 3.19Å; S454-L458 PolarHBondContact O-N 2.71Å
455T56.8Low53.5Low11 Ų1147.1 Ų47.17%0.06724%0.24CC..Hα-helixtrans-65.8-37174.4-53.90000111.9P428 F430 L431 R452 F459P428-T455 HydrophobicContact CG-CG2 4.04Å; F430-T455 HydrophobicContact CE2-CG2 4.33Å; F430-T455 HydrophobicContact CZ-CG2 4.4Å; L431-T455 HydrophobicContact CD1-CG2 3.82Å; R452-T455 CarbonylContact O-C 3.23Å; R452-T455 PolarHBondContact O-N 2.73Å; T455-F459 HydrophobicContact CG2-CD2 3.88Å; T455-F459 HydrophobicContact CG2-CE2 3.82Å; T455-F459 WeakPolarHBondContact O-CD2 3.31Å; T455-F459 PolarHBondContact O-N 3.41Å
456K58.7Low54.2Low86 Ų8641.2 Ų41.237%0.37421%0.209SC..Hα-helixtrans-63-50.9172.7-178.9-175.6166.1-175.60110.1W335 R451 R452 A453 S454 L458 F459 D460W335-K456 HydrophobicContact CZ2-CD 4.12Å; R451-K456 HydrophobicContact CB-CB 3.99Å; R452-K456 PolarHBondContact O-N 3.05Å; A453-K456 PolarHBondContact O-N 3.21Å; S454-K456 VanDerWaalsContact C-N 3.35Å; K456-L458 VanDerWaalsContact C-N 3.33Å; K456-L458 PolarHBondContact O-N 3.03Å; K456-F459 PolarHBondContact O-N 2.81Å; K456-F459 VanDerWaalsContact O-N 3.08Å; K456-D460 WeakPolarHBondContact CE-OD2 3.15Å; K456-D460 WeakPolarHBondContact CG-OD2 3.33Å; K456-D460 PolarHBondContact O-N 3.21Å
457Q58Low55.1Low23 Ų2343.3 Ų43.311%0.10723%0.226CC..Hα-helixtrans-57.5-46.3178.9-177.556.428.200111.5W335 A453 S454 F459 D460 D461W335-Q457 HydrophobicContact CB-CB 4.41Å; W335-Q457 HydrophobicContact CB-CG 4.05Å; W335-Q457 HydrophobicContact CD2-CB 4.46Å; W335-Q457 HydrophobicContact CG-CB 3.99Å; W335-Q457 HydrophobicContact CG-CG 4.07Å; A453-Q457 PolarHBondContact O-N 3.45Å; S454-Q457 PolarHBondContact O-N 3.35Å; Q457-F459 VanDerWaalsContact C-N 3.32Å; Q457-F459 PolarHBondContact O-N 3.36Å; Q457-D460 PolarHBondContact O-N 2.84Å; Q457-D461 PolarHBondContact NE2-OD1 3.42Å; Q457-D461 PolarHBondContact NE2-OD2 2.92Å; Q457-D461 VanDerWaalsContact O-CB 3.3Å; Q457-D461 WeakPolarHBondContact O-CB 3.28Å; Q457-D461 PolarHBondContact O-N 3.08Å
458L62.7Low55.8Low28 Ų2847.2 Ų47.215%0.14725%0.253CS..Hα-helixtrans-54.3-45.3173.5176.763.7000112.2T330 S454 K456 I462 V653T330-L458 HydrophobicContact CG2-CD1 4.32Å; S454-L458 WeakPolarHBondContact O-CB 3.19Å; S454-L458 PolarHBondContact O-N 2.71Å; K456-L458 VanDerWaalsContact C-N 3.33Å; K456-L458 PolarHBondContact O-N 3.03Å; L458-I462 HydrophobicContact CD1-CD1 3.84Å; L458-I462 HydrophobicContact CD1-CG1 4.33Å; L458-I462 HydrophobicContact CG-CD1 3.8Å; L458-I462 WeakPolarHBondContact O-CB 3.33Å; L458-I462 VanDerWaalsContact O-CD1 3.27Å; L458-I462 WeakPolarHBondContact O-CD1 3.49Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.47Å; L458-V653 HydrophobicContact CD1-CG1 3.98Å; L458-V653 HydrophobicContact CD1-CG2 4.18Å
459F62.8Low56.4Low4 Ų443.8 Ų43.82%0.01824%0.237CC..Hα-helixtrans-68.2-41.9176.8-89.6-62.3000113.6F430 L431 F441 L442 R451 T455 K456 Q457 D461 I462 N463F430-F459 HydrophobicContact CE2-CE2 4.12Å; L431-F459 HydrophobicContact CD1-CE2 4Å; L431-F459 HydrophobicContact CD1-CZ 4.28Å; L431-F459 HydrophobicContact CD2-CE2 4.07Å; L431-F459 HydrophobicContact CD2-CZ 3.56Å; L431-F459 HydrophobicContact CG-CE2 4.21Å; L431-F459 HydrophobicContact CG-CZ 4.19Å; F441-F459 AromaticContact CD1-CE1 3.86Å; F441-F459 HydrophobicContact CD1-CE1 3.86Å; F441-F459 AromaticContact CD1-CZ 3.71Å; F441-F459 HydrophobicContact CD1-CZ 3.71Å; F441-F459 HydrophobicContact CE1-CE1 4.28Å; F441-F459 HydrophobicContact CE1-CE2 4.46Å; F441-F459 AromaticContact CE1-CZ 3.64Å; F441-F459 HydrophobicContact CE1-CZ 3.64Å; L442-F459 HydrophobicContact CD2-CD1 3.61Å; L442-F459 HydrophobicContact CD2-CE1 3.7Å; R451-F459 VanDerWaalsContact NH1-CB 3.27Å; T455-F459 HydrophobicContact CG2-CD2 3.88Å; T455-F459 HydrophobicContact CG2-CE2 3.82Å; T455-F459 WeakPolarHBondContact O-CD2 3.31Å; T455-F459 PolarHBondContact O-N 3.41Å; K456-F459 PolarHBondContact O-N 2.81Å; K456-F459 VanDerWaalsContact O-N 3.08Å; Q457-F459 VanDerWaalsContact C-N 3.32Å; Q457-F459 PolarHBondContact O-N 3.36Å; F459-D461 VanDerWaalsContact C-N 3.28Å; F459-D461 PolarHBondContact O-N 3.18Å; F459-I462 PolarHBondContact O-N 3.47Å; F459-N463 WeakPolarHBondContact O-CB 3.41Å; F459-N463 PolarHBondContact O-N 2.96Å
460D59.9Low56.9Low29 Ų2949 Ų4916%0.15525%0.253CS..Hα-helixtrans-67.1-35.1179.8-66.7-7.5000109.7R451 K456 Q457 R464R451-D460 IonicContact NH1-OD1 2.73Å; K456-D460 WeakPolarHBondContact CE-OD2 3.15Å; K456-D460 WeakPolarHBondContact CG-OD2 3.33Å; K456-D460 PolarHBondContact O-N 3.21Å; Q457-D460 PolarHBondContact O-N 2.84Å; D460-R464 WeakPolarHBondContact O-CB 3.24Å; D460-R464 WeakPolarHBondContact O-CD 3.48Å; D460-R464 WeakPolarHBondContact O-CG 3.35Å; D460-R464 PolarHBondContact O-N 3.35Å
461D60.1Low57.4Low8 Ų849.2 Ų49.24%0.04325%0.252CS..Hα-helixtrans-70-43.9172.4-77.6-24.2000113.7M328 Q457 F459 N463 R464 Y465M328-D461 HydrophobicContact CE-CB 3.74Å; M328-D461 HydrophobicContact SD-CB 4.44Å; Q457-D461 PolarHBondContact NE2-OD1 3.42Å; Q457-D461 PolarHBondContact NE2-OD2 2.92Å; Q457-D461 VanDerWaalsContact O-CB 3.3Å; Q457-D461 WeakPolarHBondContact O-CB 3.28Å; Q457-D461 PolarHBondContact O-N 3.08Å; F459-D461 VanDerWaalsContact C-N 3.28Å; F459-D461 PolarHBondContact O-N 3.18Å; D461-N463 VanDerWaalsContact C-N 3.28Å; D461-N463 PolarHBondContact O-N 2.62Å; D461-R464 PolarHBondContact O-N 2.93Å; D461-R464 IonicContact OD1-CZ 2.68Å; D461-R464 IonicContact OD1-NE 2.9Å; D461-R464 IonicContact OD1-NH1 3.91Å; D461-R464 PolarHBondContact OD1-NH1 3.01Å; D461-Y465 VanDerWaalsContact O-CB 3.3Å; D461-Y465 WeakPolarHBondContact O-CB 3.37Å; D461-Y465 PolarHBondContact O-N 3.05Å
462I63.1Low57.5Low8 Ų850.9 Ų50.94%0.04127%0.272CS..Hα-helixtrans-59.8-41.9171.6-70.8158.7000110.5L442 L458 F459 Y465 I466 I477 I479 I495L442-I462 HydrophobicContact CD1-CG2 4.29Å; L442-I462 HydrophobicContact CD2-CG2 3.92Å; L458-I462 HydrophobicContact CD1-CD1 3.84Å; L458-I462 HydrophobicContact CD1-CG1 4.33Å; L458-I462 HydrophobicContact CG-CD1 3.8Å; L458-I462 WeakPolarHBondContact O-CB 3.33Å; L458-I462 VanDerWaalsContact O-CD1 3.27Å; L458-I462 WeakPolarHBondContact O-CD1 3.49Å; L458-I462 WeakPolarHBondContact O-CG1 3.42Å; L458-I462 PolarHBondContact O-N 3.47Å; F459-I462 PolarHBondContact O-N 3.47Å; I462-Y465 PolarHBondContact O-N 3.23Å; I462-I466 HydrophobicContact CG2-CD1 3.73Å; I462-I466 WeakPolarHBondContact O-CD1 3.13Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.38Å; I462-I477 HydrophobicContact CG2-CD1 4.28Å; I462-I479 HydrophobicContact CD1-CD1 3.47Å; I462-I479 VanDerWaalsContact CD1-CD1 3.47Å; I462-I479 HydrophobicContact CD1-CG1 4.44Å; I462-I479 HydrophobicContact CG1-CD1 4.4Å; I462-I495 HydrophobicContact CD1-CD1 4.32Å; I462-I495 HydrophobicContact CG2-CD1 4.1Å
463N62.8Low57.3Low37 Ų3754.9 Ų54.920%0.19829%0.293CS..Hα-helixtrans-69-43.5179.6-17445.7000111.6F459 D461 Y465 I466 L467F459-N463 WeakPolarHBondContact O-CB 3.41Å; F459-N463 PolarHBondContact O-N 2.96Å; D461-N463 VanDerWaalsContact C-N 3.28Å; D461-N463 PolarHBondContact O-N 2.62Å; N463-Y465 VanDerWaalsContact C-N 3.33Å; N463-Y465 PolarHBondContact O-N 3.42Å; N463-I466 PolarHBondContact O-N 3Å; N463-L467 WeakPolarHBondContact O-CB 3.28Å; N463-L467 VanDerWaalsContact O-CG 3.26Å; N463-L467 WeakPolarHBondContact O-CG 3.5Å; N463-L467 PolarHBondContact O-N 2.85Å
464R60.3Low57.1Low86 Ų8655.1 Ų55.133%0.32529%0.292SS..Hα-helixtrans-55.2-48.4169.7-74.2161.5-172-175.1-6.9110.9S303 D460 D461 I466 L467 S468S303-R464 PolarHBondContact OG-NH1 2.81Å; D460-R464 WeakPolarHBondContact O-CB 3.24Å; D460-R464 WeakPolarHBondContact O-CD 3.48Å; D460-R464 WeakPolarHBondContact O-CG 3.35Å; D460-R464 PolarHBondContact O-N 3.35Å; D461-R464 PolarHBondContact O-N 2.93Å; D461-R464 IonicContact OD1-CZ 2.68Å; D461-R464 IonicContact OD1-NE 2.9Å; D461-R464 IonicContact OD1-NH1 3.91Å; D461-R464 PolarHBondContact OD1-NH1 3.01Å; R464-I466 PolarHBondContact O-N 3.17Å; R464-L467 PolarHBondContact O-N 3.28Å; R464-S468 WeakPolarHBondContact O-CB 3.25Å; R464-S468 PolarHBondContact O-N 3.18Å; R464-S468 PolarHBondContact O-OG 3.47Å
465Y59.4Low56.8Low10 Ų1053 Ų534%0.03928%0.277CS..Hα-helixtrans-59.8-47.9180-177.8-91.5000111.3L307 Y326 D461 I462 N463 L467 S468 V469 W471 I651L307-Y465 HydrophobicContact CD1-CD2 3.83Å; L307-Y465 HydrophobicContact CD1-CE2 3.8Å; L307-Y465 HydrophobicContact CD2-CD2 3.88Å; L307-Y465 HydrophobicContact CD2-CE2 3.8Å; L307-Y465 HydrophobicContact CG-CE2 4.45Å; Y326-Y465 WeakPolarHBondContact CD2-OH 3.5Å; Y326-Y465 WeakPolarHBondContact CE2-OH 3.43Å; Y326-Y465 VanDerWaalsContact CG-OH 3.24Å; D461-Y465 VanDerWaalsContact O-CB 3.3Å; D461-Y465 WeakPolarHBondContact O-CB 3.37Å; D461-Y465 PolarHBondContact O-N 3.05Å; I462-Y465 PolarHBondContact O-N 3.23Å; N463-Y465 VanDerWaalsContact C-N 3.33Å; N463-Y465 PolarHBondContact O-N 3.42Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; Y465-L467 PolarHBondContact O-N 2.77Å; Y465-S468 WeakPolarHBondContact CA-OG 3.41Å; Y465-S468 PolarHBondContact O-N 3.09Å; Y465-S468 PolarHBondContact O-OG 3.12Å; Y465-V469 HydrophobicContact CE1-CG2 4.12Å; Y465-V469 HydrophobicContact CE2-CG2 4.01Å; Y465-V469 PolarHBondContact O-N 3.36Å; Y465-W471 HydrophobicContact CD1-CH2 4.04Å; Y465-W471 AromaticContact CD1-CZ2 3.68Å; Y465-W471 HydrophobicContact CD1-CZ2 3.68Å; Y465-W471 AromaticContact CE1-CH2 3.56Å; Y465-W471 HydrophobicContact CE1-CH2 3.56Å; Y465-W471 AromaticContact CE1-CZ2 3.48Å; Y465-W471 HydrophobicContact CE1-CZ2 3.48Å; Y465-W471 VanDerWaalsContact CE1-CZ2 3.48Å; Y465-I651 HydrophobicContact CD1-CD1 4.16Å; Y465-I651 HydrophobicContact CE1-CD1 3.33Å
466I61.4Low56.7Low9 Ų952.4 Ų52.45%0.04627%0.274CS..Hα-helixtrans-60.9-41.7177.4-73.2159.8000111.9L442 I462 N463 R464 S468 W471 I477 Y497L442-I466 HydrophobicContact CD1-CD1 3.21Å; I462-I466 HydrophobicContact CG2-CD1 3.73Å; I462-I466 WeakPolarHBondContact O-CD1 3.13Å; I462-I466 WeakPolarHBondContact O-CG1 3.44Å; I462-I466 PolarHBondContact O-N 3.38Å; N463-I466 PolarHBondContact O-N 3Å; R464-I466 PolarHBondContact O-N 3.17Å; I466-S468 PolarHBondContact O-N 3.26Å; I466-W471 HydrophobicContact CB-CZ2 4.22Å; I466-W471 HydrophobicContact CG1-CH2 4.35Å; I466-W471 HydrophobicContact CG1-CZ2 3.53Å; I466-W471 PolarHBondContact O-NE1 3.34Å; I466-I477 HydrophobicContact CD1-CD1 3.63Å; I466-I477 HydrophobicContact CG1-CD1 3.76Å; I466-Y497 HydrophobicContact CG2-CD2 4.07Å; I466-Y497 HydrophobicContact CG2-CE2 3.73Å
467L60.9Low56.7Low132 Ų13248.5 Ų48.569%0.69126%0.257SS*.Hα-helixtrans-71.7-10.8176.3-67.4169.5000114.2N463 R464 Y465N463-L467 WeakPolarHBondContact O-CB 3.28Å; N463-L467 VanDerWaalsContact O-CG 3.26Å; N463-L467 WeakPolarHBondContact O-CG 3.5Å; N463-L467 PolarHBondContact O-N 2.85Å; R464-L467 PolarHBondContact O-N 3.28Å; Y465-L467 VanDerWaalsContact C-N 3.34Å; Y465-L467 PolarHBondContact O-N 2.77Å
468S56.6Low56.7Low85 Ų8547.6 Ų47.659%0.59425%0.253SS*.Hα-helixtrans-100.7-16.2-176.575.20000115R464 Y465 I466R464-S468 WeakPolarHBondContact O-CB 3.25Å; R464-S468 PolarHBondContact O-N 3.18Å; R464-S468 PolarHBondContact O-OG 3.47Å; Y465-S468 WeakPolarHBondContact CA-OG 3.41Å; Y465-S468 PolarHBondContact O-N 3.09Å; Y465-S468 PolarHBondContact O-OG 3.12Å; I466-S468 PolarHBondContact O-N 3.26Å
469V55.1Low56.6Low44 Ų4446.5 Ų46.527%0.26725%0.247SC..SBendtrans-115.3142.3-175176.10000110Y465 W471Y465-V469 HydrophobicContact CE1-CG2 4.12Å; Y465-V469 HydrophobicContact CE2-CG2 4.01Å; Y465-V469 PolarHBondContact O-N 3.36Å; V469-W471 PolarHBondContact O-NE1 3.04Å
470E51.6Low56.4Low198 Ų19847 Ų4793%0.92525%0.25SC*.PPolyproline II helixtrans-80.8117.8168.2-68.3-172.9164.400109.8
471W53.3Low56.4Low48 Ų4846.1 Ų46.118%0.18225%0.245CC..PPolyproline II helixtrans-100.2148.2-175.5-60.987.3000112.5Y465 I466 V469 I477 Y497 I651Y465-W471 HydrophobicContact CD1-CH2 4.04Å; Y465-W471 AromaticContact CD1-CZ2 3.68Å; Y465-W471 HydrophobicContact CD1-CZ2 3.68Å; Y465-W471 AromaticContact CE1-CH2 3.56Å; Y465-W471 HydrophobicContact CE1-CH2 3.56Å; Y465-W471 AromaticContact CE1-CZ2 3.48Å; Y465-W471 HydrophobicContact CE1-CZ2 3.48Å; Y465-W471 VanDerWaalsContact CE1-CZ2 3.48Å; I466-W471 HydrophobicContact CB-CZ2 4.22Å; I466-W471 HydrophobicContact CG1-CH2 4.35Å; I466-W471 HydrophobicContact CG1-CZ2 3.53Å; I466-W471 PolarHBondContact O-NE1 3.34Å; V469-W471 PolarHBondContact O-NE1 3.04Å; W471-I477 HydrophobicContact CH2-CD1 3.74Å; W471-I477 HydrophobicContact CH2-CG1 3.81Å; W471-I477 HydrophobicContact CZ2-CD1 4.23Å; W471-I477 HydrophobicContact CZ3-CG1 4.32Å; W471-Y497 HydrophobicContact CB-CD1 4.29Å; W471-Y497 HydrophobicContact CB-CE1 4.43Å; W471-Y497 HydrophobicContact CG-CD1 4.48Å; W471-I651 HydrophobicContact CH2-CD1 3.77Å; W471-I651 HydrophobicContact CZ3-CD1 4.3Å
472A48.6Very low55.9Low67 Ų6746.5 Ų46.555%0.55425%0.248SC*.PPolyproline II helixtrans-69.7150.916300000110.2S474 S475A472-S474 PolarHBondContact O-N 2.88Å; A472-S475 PolarHBondContact N-OG 3.11Å; A472-S475 PolarHBondContact O-OG 3.42Å
473H43.8Very low55.2Low146 Ų14647.4 Ų47.468%0.67625%0.253SS*.SBendtrans-47-28.2-172.9-67-31.1000116.1H499H473-H499 AromaticContact ND1-CD2 3.94Å; H473-H499 PolarHBondContact O-N 2.81Å
474S47.5Very low54.6Low44 Ų4446 Ų4631%0.30825%0.246SC..EExtended strand (participates in β ladder)trans-135.5110.6172.265.20000109.5A472 Y497 I522A472-S474 PolarHBondContact O-N 2.88Å; S474-Y497 CarbonylContact C-O 3.52Å; S474-Y497 VanDerWaalsContact CA-O 3.3Å; S474-Y497 WeakPolarHBondContact CA-O 3.38Å; S474-I522 WeakPolarHBondContact OG-CG2 3.14Å
475S50.3Low54.1Low9 Ų944.9 Ų44.96%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-133.2164.2-172-64.90000111.7A472 Y497A472-S475 PolarHBondContact N-OG 3.11Å; A472-S475 PolarHBondContact O-OG 3.42Å; S475-Y497 PolarHBondContact N-O 2.9Å; S475-Y497 PolarHBondContact O-N 3.3Å
476Q53.3Low54Low0 Ų044.8 Ų44.80%025%0.247CC..EExtended strand (participates in β ladder)trans-141.2148.1-174.5-70.1-174.8-13.300115.2R494 I495 I496 T521 I522 T649Q476-R494 VanDerWaalsContact OE1-CZ 3.28Å; Q476-R494 VanDerWaalsContact OE1-NE 3.16Å; Q476-I495 WeakPolarHBondContact CA-O 3.34Å; Q476-I496 HydrophobicContact CG-CB 4.44Å; Q476-I496 HydrophobicContact CG-CG1 4.1Å; Q476-I496 HydrophobicContact CG-CG2 4.28Å; Q476-I496 VanDerWaalsContact NE2-CD1 3.26Å; Q476-T521 PolarHBondContact NE2-O 3.1Å; Q476-I522 HydrophobicContact CG-CD1 4.42Å; Q476-I522 HydrophobicContact CG-CG1 3.89Å; Q476-T649 VanDerWaalsContact CB-O 3.27Å; Q476-T649 WeakPolarHBondContact CB-O 3.2Å; Q476-T649 CarbonylContact O-C 3.51Å
477I59.3Low53.9Low4 Ų444.4 Ų44.42%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-126136.8-179.6-49.6-176000106.9I462 I466 W471 I479 I495 I651I462-I477 HydrophobicContact CG2-CD1 4.28Å; I466-I477 HydrophobicContact CD1-CD1 3.63Å; I466-I477 HydrophobicContact CG1-CD1 3.76Å; W471-I477 HydrophobicContact CH2-CD1 3.74Å; W471-I477 HydrophobicContact CH2-CG1 3.81Å; W471-I477 HydrophobicContact CZ2-CD1 4.23Å; W471-I477 HydrophobicContact CZ3-CG1 4.32Å; I477-I479 HydrophobicContact CG2-CG1 4Å; I477-I495 HydrophobicContact CB-CB 4.17Å; I477-I495 PolarHBondContact N-O 2.86Å; I477-I495 VanDerWaalsContact N-O 3.07Å; I477-I495 PolarHBondContact O-N 3.16Å; I477-I651 HydrophobicContact CG1-CD1 4.2Å; I477-I651 HydrophobicContact CG2-CB 3.89Å; I477-I651 HydrophobicContact CG2-CD1 4.44Å; I477-I651 HydrophobicContact CG2-CG1 4.48Å; I477-I651 HydrophobicContact CG2-CG2 4.4Å
478L58.3Low53.8Low3 Ų340.1 Ų40.12%0.01622%0.221CC..EExtended strand (participates in β ladder)trans-135.968.4-164.1-161.7132.2000110.9I480 A492 L493 W513 I534 A650 I651L478-I480 HydrophobicContact CD2-CD1 3.79Å; L478-I480 HydrophobicContact CD2-CG1 4.17Å; L478-I480 PolarHBondContact O-N 3.23Å; L478-A492 HydrophobicContact CD2-CB 3.94Å; L478-A492 HydrophobicContact CG-CB 4.28Å; L478-L493 CarbonylContact C-O 3.39Å; L478-L493 VanDerWaalsContact CA-O 3.28Å; L478-L493 WeakPolarHBondContact CA-O 3.17Å; L478-W513 HydrophobicContact CD1-CH2 4.1Å; L478-W513 HydrophobicContact CD1-CZ3 3.71Å; L478-W513 HydrophobicContact CD2-CZ3 4.13Å; L478-W513 HydrophobicContact CG-CH2 4.09Å; L478-W513 HydrophobicContact CG-CZ3 3.83Å; L478-I534 HydrophobicContact CD1-CG2 3.94Å; L478-A650 HydrophobicContact CB-CB 3.55Å; L478-A650 HydrophobicContact CD1-CB 4.19Å; L478-A650 HydrophobicContact CD2-CB 4.23Å; L478-A650 HydrophobicContact CG-CB 4.21Å; L478-I651 CarbonylContact C-O 3.39Å; L478-I651 PolarHBondContact N-O 3.44Å
479I60.9Low53.8Low6 Ų636 Ų363%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-69.1120.7-169.6-53.1159000108.8W427 I462 I477 A492 L493 I495 I651 V653W427-I479 HydrophobicContact CH2-CB 3.94Å; W427-I479 HydrophobicContact CH2-CG2 3.52Å; W427-I479 HydrophobicContact CZ2-CG2 4.17Å; W427-I479 HydrophobicContact CZ3-CG2 4.38Å; I462-I479 HydrophobicContact CD1-CD1 3.47Å; I462-I479 VanDerWaalsContact CD1-CD1 3.47Å; I462-I479 HydrophobicContact CD1-CG1 4.44Å; I462-I479 HydrophobicContact CG1-CD1 4.4Å; I477-I479 HydrophobicContact CG2-CG1 4Å; I479-A492 CarbonylContact O-C 3.6Å; I479-A492 WeakPolarHBondContact O-CA 3.2Å; I479-L493 PolarHBondContact N-O 3.06Å; I479-L493 PolarHBondContact O-N 2.8Å; I479-I495 HydrophobicContact CD1-CD1 3.77Å; I479-I495 HydrophobicContact CD1-CG1 4.2Å; I479-I651 PolarHBondContact N-O 2.83Å; I479-V653 HydrophobicContact CG1-CG2 4.43Å; I479-V653 HydrophobicContact CG2-CB 3.96Å; I479-V653 HydrophobicContact CG2-CG2 3.83Å
480I57.8Low53.6Low13 Ų1334 Ų347%0.06718%0.18CC..EExtended strand (participates in β ladder)trans-106.7142.3-176.2-78.4154.3000110.1L478 P482 I491 A492 A541 Y652L478-I480 HydrophobicContact CD2-CD1 3.79Å; L478-I480 HydrophobicContact CD2-CG1 4.17Å; L478-I480 PolarHBondContact O-N 3.23Å; I480-P482 WeakPolarHBondContact O-CD 3.42Å; I480-I491 WeakPolarHBondContact CA-O 3.32Å; I480-I491 WeakPolarHBondContact CB-O 3.39Å; I480-I491 VanDerWaalsContact CG1-O 3.24Å; I480-I491 WeakPolarHBondContact CG1-O 3.23Å; I480-I491 WeakPolarHBondContact CG2-O 3.45Å; I480-A492 HydrophobicContact CG1-CB 3.7Å; I480-A541 HydrophobicContact CG2-CB 3.97Å; I480-Y652 HydrophobicContact CB-CD1 4.47Å; I480-Y652 HydrophobicContact CD1-CD1 3.37Å; I480-Y652 HydrophobicContact CD1-CE1 3.25Å; I480-Y652 HydrophobicContact CD1-CG 4.4Å; I480-Y652 HydrophobicContact CG1-CD1 4.46Å
481D60.6Low53.7Low11 Ų1124.9 Ų24.96%0.05914%0.138CC..  trans-10897.3171.3-169.1-28.7000110.1W427 L483 A484 P490 N545W427-D481 HydrophobicContact CZ2-CB 3.86Å; W427-D481 PolarHBondContact NE1-OD2 3.44Å; D481-L483 VanDerWaalsContact C-N 3.34Å; D481-L483 PolarHBondContact OD1-N 3.4Å; D481-L483 VanDerWaalsContact OD1-N 3.16Å; D481-A484 PolarHBondContact OD1-N 3.42Å; D481-A484 VanDerWaalsContact OD1-N 3.12Å; D481-P490 HydrophobicContact CB-CG 4.34Å; D481-N545 PolarHBondContact O-ND2 3.13Å; D481-N545 PolarHBondContact O-OD1 2.9Å
482P48.4Very low53.8Low16 Ų1622.7 Ų22.710%0.10413%0.13CC..SBendtrans-85.1-2.9-177.533.8-34.4000114.1I480 N545 F654I480-P482 WeakPolarHBondContact O-CD 3.42Å; P482-N545 VanDerWaalsContact C-OD1 3.27Å; P482-N545 WeakPolarHBondContact CA-OD1 3.45Å; P482-N545 PolarHBondContact O-OD1 2.86Å; P482-F654 HydrophobicContact CG-CD1 3.82Å; P482-F654 HydrophobicContact CG-CE1 4Å
483L49.3Very low54.2Low28 Ų2819.6 Ų19.615%0.14710%0.104CC..SBendtrans-123.811.7-167-75.8171.9000113.5D481 R552 T655 D658D481-L483 VanDerWaalsContact C-N 3.34Å; D481-L483 PolarHBondContact OD1-N 3.4Å; D481-L483 VanDerWaalsContact OD1-N 3.16Å; L483-R552 PolarHBondContact O-NH1 3.28Å; L483-T655 VanDerWaalsContact CD1-O 3.26Å; L483-T655 WeakPolarHBondContact CD1-O 3.5Å; L483-D658 WeakPolarHBondContact CD2-OD2 3.28Å
484A49.9Very low54.8Low7 Ų712.9 Ų12.96%0.0587%0.073CC..  trans-58.9160.4-173.500000114.1D481 S486 S489 R552D481-A484 PolarHBondContact OD1-N 3.42Å; D481-A484 VanDerWaalsContact OD1-N 3.12Å; A484-S486 VanDerWaalsContact C-N 3.34Å; A484-S489 WeakPolarHBondContact CB-OG 3.49Å; A484-R552 PolarHBondContact O-NH1 3.36Å
485L51Low55.3Low63 Ų6310.9 Ų10.933%0.336%0.059SC..SBendtrans-68.8-32.7175.6-73.3164.7000112.1R426 Y549 T591R426-L485 HydrophobicContact CG-CD1 4.41Å; L485-Y549 WeakPolarHBondContact O-CD2 3.47Å; L485-T591 VanDerWaalsContact C-OG1 3.28Å; L485-T591 HydrophobicContact CB-CG2 4.41Å; L485-T591 WeakPolarHBondContact O-CB 3.06Å; L485-T591 WeakPolarHBondContact O-CG2 3.2Å; L485-T591 PolarHBondContact O-OG1 2.85Å
486S56.8Low55.5Low8 Ų811.1 Ų11.16%0.0566%0.059CC..SBendtrans-111.1147-175.561.70000113.7T424 A484 F488 S489 T591T424-S486 PolarHBondContact OG1-OG 3.06Å; A484-S486 VanDerWaalsContact C-N 3.34Å; S486-F488 PolarHBondContact O-N 2.88Å; S486-S489 VanDerWaalsContact O-CB 3.28Å; S486-S489 WeakPolarHBondContact O-CB 3.33Å; S486-S489 PolarHBondContact O-N 3.49Å; S486-S489 PolarHBondContact O-OG 3.26Å; S486-S489 PolarHBondContact OG-N 2.96Å; S486-T591 WeakPolarHBondContact CA-OG1 3.29Å; S486-T591 WeakPolarHBondContact CB-OG1 3.46Å
487P59.1Low55.4Low0 Ų012 Ų120%06%0.063CC..THydrogen-bonded Turntrans-73-10.1174.331.8-35.8000112.7L542 W546 Y549 L590P487-L542 WeakPolarHBondContact O-CD1 3.43Å; P487-W546 HydrophobicContact CB-CD2 3.54Å; P487-W546 HydrophobicContact CB-CE3 3.94Å; P487-W546 HydrophobicContact CB-CG 3.86Å; P487-W546 HydrophobicContact CB-CH2 4.3Å; P487-W546 HydrophobicContact CB-CZ2 3.93Å; P487-W546 HydrophobicContact CB-CZ3 4.3Å; P487-W546 HydrophobicContact CG-CD2 4.31Å; P487-W546 HydrophobicContact CG-CE3 4.34Å; P487-W546 HydrophobicContact CG-CH2 4.04Å; P487-W546 HydrophobicContact CG-CZ2 3.99Å; P487-W546 HydrophobicContact CG-CZ3 4.22Å; P487-Y549 HydrophobicContact CB-CD1 4.47Å; P487-Y549 HydrophobicContact CB-CG 4.38Å; P487-Y549 HydrophobicContact CG-CD1 4.12Å; P487-Y549 HydrophobicContact CG-CE1 4.47Å; P487-Y549 HydrophobicContact CG-CG 4.21Å; P487-L590 HydrophobicContact CG-CB 4.16Å; P487-L590 HydrophobicContact CG-CD2 4.35Å
488F58.6Low55Low42 Ų4213.3 Ų13.318%0.1847%0.07CC..THydrogen-bonded Turntrans-110.929.5173.8-62.9-58.7000112.5M421 F422 S486 W546 L590M421-F488 HydrophobicContact CE-CD2 3.53Å; M421-F488 HydrophobicContact CE-CE2 3.52Å; M421-F488 HydrophobicContact CE-CG 4.09Å; M421-F488 HydrophobicContact CE-CZ 4.08Å; M421-F488 HydrophobicContact CG-CD2 4.3Å; M421-F488 HydrophobicContact SD-CD2 3.97Å; M421-F488 HydrophobicContact SD-CE2 4.12Å; F422-F488 HydrophobicContact CD1-CB 4.33Å; F422-F488 HydrophobicContact CD1-CD1 4.15Å; F422-F488 HydrophobicContact CD1-CG 4.4Å; F422-F488 AromaticContact CE1-CD1 3.96Å; F422-F488 HydrophobicContact CE1-CD1 3.96Å; F422-F488 HydrophobicContact CE1-CE1 4.22Å; F422-F488 HydrophobicContact CE1-CG 4.44Å; S486-F488 PolarHBondContact O-N 2.88Å; F488-W546 HydrophobicContact CE1-CZ2 4.23Å; F488-W546 HydrophobicContact CE2-CZ2 4.15Å; F488-W546 AromaticContact CZ-CZ2 3.79Å; F488-W546 HydrophobicContact CZ-CZ2 3.79Å; F488-L590 HydrophobicContact CD2-CD1 4.25Å; F488-L590 HydrophobicContact CE2-CD1 3.64Å
489S56.9Low54.5Low0 Ų018 Ų180%09%0.091CC..SBendtrans-60.1174.2175.464.40000113.3T424 A484 S486 I491 N545T424-S489 WeakPolarHBondContact O-CA 3.3Å; A484-S489 WeakPolarHBondContact CB-OG 3.49Å; S486-S489 VanDerWaalsContact O-CB 3.28Å; S486-S489 WeakPolarHBondContact O-CB 3.33Å; S486-S489 PolarHBondContact O-N 3.49Å; S486-S489 PolarHBondContact O-OG 3.26Å; S486-S489 PolarHBondContact OG-N 2.96Å; S489-I491 VanDerWaalsContact C-N 3.26Å; S489-I491 PolarHBondContact O-N 2.84Å; S489-N545 PolarHBondContact OG-ND2 3.42Å
490P50.4Low53.7Low1 Ų123.6 Ų23.61%0.00612%0.121CC..  trans-55.590.9158.528.1-40.6000110.6T424 T425 W427 P433 D481 A492T424-P490 VanDerWaalsContact O-CD 3.27Å; T424-P490 WeakPolarHBondContact O-CD 3.3Å; T425-P490 HydrophobicContact CG2-CG 4.27Å; W427-P490 HydrophobicContact CD2-CG 4.32Å; W427-P490 HydrophobicContact CG-CG 4.38Å; P433-P490 HydrophobicContact CB-CB 3.75Å; P433-P490 HydrophobicContact CG-CB 3.83Å; D481-P490 HydrophobicContact CB-CG 4.34Å; P490-A492 PolarHBondContact O-N 2.89Å
491I53.4Low53.1Low6 Ų629.1 Ų29.13%0.03115%0.147CC..SBendtrans-52.8-44.1170.7-60.8159000108.7I480 S489 V510 L514 C538 A541 L542I480-I491 WeakPolarHBondContact CA-O 3.32Å; I480-I491 WeakPolarHBondContact CB-O 3.39Å; I480-I491 VanDerWaalsContact CG1-O 3.24Å; I480-I491 WeakPolarHBondContact CG1-O 3.23Å; I480-I491 WeakPolarHBondContact CG2-O 3.45Å; S489-I491 VanDerWaalsContact C-N 3.26Å; S489-I491 PolarHBondContact O-N 2.84Å; I491-V510 HydrophobicContact CD1-CG1 4.27Å; I491-L514 HydrophobicContact CD1-CD1 3.8Å; I491-L514 HydrophobicContact CD1-CD2 3.69Å; I491-L514 HydrophobicContact CD1-CG 3.7Å; I491-C538 HydrophobicContact CG2-CB 4.07Å; I491-C538 WeakPolarHBondContact CG2-O 3.38Å; I491-A541 HydrophobicContact CG2-CB 3.75Å; I491-L542 HydrophobicContact CD1-CB 4.1Å; I491-L542 HydrophobicContact CD1-CD1 4.23Å; I491-L542 HydrophobicContact CG1-CB 4.34Å; I491-L542 HydrophobicContact CG1-CD1 4.49Å
492A55.6Low52.2Low3 Ų330.7 Ų30.73%0.02516%0.158CC..EExtended strand (participates in β ladder)trans-156.1155.5174.200000112.9L478 I479 I480 P490 W513L478-A492 HydrophobicContact CD2-CB 3.94Å; L478-A492 HydrophobicContact CG-CB 4.28Å; I479-A492 CarbonylContact O-C 3.6Å; I479-A492 WeakPolarHBondContact O-CA 3.2Å; I480-A492 HydrophobicContact CG1-CB 3.7Å; P490-A492 PolarHBondContact O-N 2.89Å; A492-W513 HydrophobicContact CB-CE3 3.93Å; A492-W513 HydrophobicContact CB-CH2 3.57Å; A492-W513 HydrophobicContact CB-CZ2 4.44Å; A492-W513 HydrophobicContact CB-CZ3 3.29Å
493L58.1Low51.9Low1 Ų138.9 Ų38.91%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-113.4152.8163.8176.769.4000109.8W427 L431 R435 L437 L478 I479W427-L493 HydrophobicContact CE3-CB 4.31Å; W427-L493 HydrophobicContact CE3-CD2 4.17Å; W427-L493 HydrophobicContact CH2-CB 3.93Å; W427-L493 HydrophobicContact CZ3-CB 3.37Å; W427-L493 HydrophobicContact CZ3-CD2 3.58Å; W427-L493 HydrophobicContact CZ3-CG 4.08Å; L431-L493 HydrophobicContact CD2-CD2 3.64Å; R435-L493 VanDerWaalsContact O-CD1 3.31Å; R435-L493 WeakPolarHBondContact O-CD1 3.35Å; L437-L493 HydrophobicContact CD1-CD2 3.78Å; L478-L493 CarbonylContact C-O 3.39Å; L478-L493 VanDerWaalsContact CA-O 3.28Å; L478-L493 WeakPolarHBondContact CA-O 3.17Å; I479-L493 PolarHBondContact N-O 3.06Å; I479-L493 PolarHBondContact O-N 2.8Å
494R54.7Low51.6Low5 Ų543.9 Ų43.92%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-120.2120.5-179.1-161.5178.2-165.2-154.96.9112.4L437 Q476 W513 T521 S647L437-R494 PolarHBondContact N-O 2.74Å; Q476-R494 VanDerWaalsContact OE1-CZ 3.28Å; Q476-R494 VanDerWaalsContact OE1-NE 3.16Å; R494-W513 HydrophobicContact CB-CH2 3.72Å; R494-W513 HydrophobicContact CB-CZ2 3.71Å; R494-W513 HydrophobicContact CG-CH2 4.44Å; R494-T521 PolarHBondContact NH1-O 2.78Å; R494-T521 PolarHBondContact NH1-OG1 3.38Å; R494-T521 PolarHBondContact NH2-O 3.12Å; R494-S647 PolarHBondContact NH2-O 2.82Å
495I59.1Low51.3Low2 Ų248.1 Ų48.11%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-101.7133165.5-43.5-172.5000107.3L437 L442 I462 Q476 I477 I479L437-I495 HydrophobicContact CB-CB 4.39Å; L437-I495 HydrophobicContact CB-CG1 4.17Å; L437-I495 HydrophobicContact CB-CG2 4.07Å; L437-I495 HydrophobicContact CD1-CG1 4.39Å; L442-I495 HydrophobicContact CD2-CD1 4.28Å; I462-I495 HydrophobicContact CD1-CD1 4.32Å; I462-I495 HydrophobicContact CG2-CD1 4.1Å; Q476-I495 WeakPolarHBondContact CA-O 3.34Å; I477-I495 HydrophobicContact CB-CB 4.17Å; I477-I495 PolarHBondContact N-O 2.86Å; I477-I495 VanDerWaalsContact N-O 3.07Å; I477-I495 PolarHBondContact O-N 3.16Å; I479-I495 HydrophobicContact CD1-CD1 3.77Å; I479-I495 HydrophobicContact CD1-CG1 4.2Å
496I53.5Low51.2Low14 Ų1450.4 Ų50.47%0.07225%0.247CC..EExtended strand (participates in β ladder)trans-107.2123168.8-51.4-169000107.9M436 L437 Q476M436-I496 HydrophobicContact CE-CD1 4.38Å; M436-I496 HydrophobicContact CG-CB 4.5Å; M436-I496 HydrophobicContact CG-CD1 3.66Å; M436-I496 HydrophobicContact CG-CG1 3.78Å; M436-I496 HydrophobicContact SD-CD1 3.47Å; M436-I496 WeakPolarHBondContact SD-CD1 3.36Å; M436-I496 HydrophobicContact SD-CG1 4.23Å; L437-I496 PolarHBondContact O-N 3.37Å; Q476-I496 HydrophobicContact CG-CB 4.44Å; Q476-I496 HydrophobicContact CG-CG1 4.1Å; Q476-I496 HydrophobicContact CG-CG2 4.28Å; Q476-I496 VanDerWaalsContact NE2-CD1 3.26Å
497Y52.1Low50.7Low19 Ų1952.9 Ų52.98%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-92.7115.1168.1-167.3-94.4000107.9E439 I466 W471 S474 S475 H499E439-Y497 HydrophobicContact CB-CD2 4.36Å; E439-Y497 HydrophobicContact CB-CE2 4.14Å; E439-Y497 HydrophobicContact CG-CE2 3.89Å; E439-Y497 VanDerWaalsContact OE1-CE2 3.29Å; E439-Y497 WeakPolarHBondContact OE1-CE2 3.45Å; E439-Y497 PolarHBondContact OE1-OH 2.82Å; E439-Y497 PolarHBondContact OE2-OH 2.95Å; I466-Y497 HydrophobicContact CG2-CD2 4.07Å; I466-Y497 HydrophobicContact CG2-CE2 3.73Å; W471-Y497 HydrophobicContact CB-CD1 4.29Å; W471-Y497 HydrophobicContact CB-CE1 4.43Å; W471-Y497 HydrophobicContact CG-CD1 4.48Å; S474-Y497 CarbonylContact C-O 3.52Å; S474-Y497 VanDerWaalsContact CA-O 3.3Å; S474-Y497 WeakPolarHBondContact CA-O 3.38Å; S475-Y497 PolarHBondContact N-O 2.9Å; S475-Y497 PolarHBondContact O-N 3.3Å; Y497-H499 AromaticContact CE1-CE1 3.42Å; Y497-H499 VanDerWaalsContact CE1-CE1 3.42Å; Y497-H499 WeakPolarHBondContact CE1-CE1 3.49Å; Y497-H499 AromaticContact CE1-ND1 3.55Å; Y497-H499 AromaticContact CZ-CE1 3.83Å; Y497-H499 AromaticContact CZ-ND1 3.8Å; Y497-H499 PolarHBondContact OH-CE1 3.47Å; Y497-H499 PolarHBondContact OH-ND1 3.35Å
498D50.8Low50.4Low32 Ų3254 Ų5417%0.17126%0.261CS..EExtended strand (participates in β ladder)trans-136.1126.5172.3-171.3-23.8000106.6N500D498-N500 PolarHBondContact O-N 3.04Å; D498-N500 PolarHBondContact OD1-N 3.14Å; D498-N500 PolarHBondContact OD1-ND2 2.84Å
499H48.7Very low50.2Low101 Ų10155.7 Ų55.747%0.46827%0.267SS..SBendtrans-67.4-20.8178.7-70.9-55.6000112.9H473 Y497H473-H499 AromaticContact ND1-CD2 3.94Å; H473-H499 PolarHBondContact O-N 2.81Å; Y497-H499 AromaticContact CE1-CE1 3.42Å; Y497-H499 VanDerWaalsContact CE1-CE1 3.42Å; Y497-H499 WeakPolarHBondContact CE1-CE1 3.49Å; Y497-H499 AromaticContact CE1-ND1 3.55Å; Y497-H499 AromaticContact CZ-CE1 3.83Å; Y497-H499 AromaticContact CZ-ND1 3.8Å; Y497-H499 PolarHBondContact OH-CE1 3.47Å; Y497-H499 PolarHBondContact OH-ND1 3.35Å
500N44.2Very low50.2Low123 Ų12356.1 Ų56.166%0.65827%0.269SS*.SBendtrans-94.4107.7174.1-55.2-71.9000108.2D498 P502D498-N500 PolarHBondContact O-N 3.04Å; D498-N500 PolarHBondContact OD1-N 3.14Å; D498-N500 PolarHBondContact OD1-ND2 2.84Å; N500-P502 WeakPolarHBondContact O-CD 3.44Å
501E44.3Very low50.5Low130 Ų13059.1 Ų59.161%0.60729%0.29SS*.  trans-46.7113.4-171-67.4-168.7120.600112.8N440 Q503N440-E501 PolarHBondContact ND2-OE1 3.32Å; E501-Q503 PolarHBondContact O-N 3.47Å; E501-Q503 VanDerWaalsContact O-N 3.11Å
502P41.3Very low50.6Low44 Ų4461.9 Ų61.929%0.28630%0.303SS..  trans-68.7114.2-177.725.4-33.9000110.1M436 T438 N500 N504M436-P502 HydrophobicContact CE-CB 4.34Å; T438-P502 HydrophobicContact CG2-CG 3.52Å; N500-P502 WeakPolarHBondContact O-CD 3.44Å; P502-N504 PolarHBondContact O-N 2.77Å
503Q41.2Very low50.7Low188 Ų18862.9 Ų62.988%0.87931%0.306SS*.SBendtrans-63.4-15.1-166.1-65-178.3-10.800115.9E501E501-Q503 PolarHBondContact O-N 3.47Å; E501-Q503 VanDerWaalsContact O-N 3.11Å
504N44.5Very low50.5Low132 Ų13264 Ų6471%0.70631%0.312SS*.SBendtrans-144.5140.9177.9-78.2-68.4000110.8P502P502-N504 PolarHBondContact O-N 2.77Å
505E43.9Very low50.8Low97 Ų9765.2 Ų65.245%0.45332%0.322SS..  trans-68.5149.2165.3-61.6-173.1-168.800110.7R435R435-E505 IonicContact CZ-OE1 3.73Å; R435-E505 IonicContact CZ-OE2 3.59Å; R435-E505 IonicContact NE-OE1 3.92Å; R435-E505 IonicContact NE-OE2 3.71Å; R435-E505 PolarHBondContact NE-OE2 3.47Å; R435-E505 IonicContact NH2-OE1 2.81Å; R435-E505 PolarHBondContact NH2-OE1 2.73Å; R435-E505 IonicContact NH2-OE2 3.54Å; R435-E505 PolarHBondContact NH2-OE2 2.85Å
506K48.2Very low50.4Low111 Ų11168.6 Ų68.648%0.48334%0.343SS..  trans-129.8136.3178-166.6170.8-176.6173.80110.8M436 L644M436-K506 HydrophobicContact CB-CB 4.37Å; M436-K506 WeakPolarHBondContact CB-O 3.45Å; M436-K506 PolarHBondContact N-O 2.95Å; M436-K506 HydrophobicContact SD-CB 4.06Å; K506-L644 PolarHBondContact NZ-O 2.93Å; K506-L644 VanDerWaalsContact NZ-O 3.13Å
507W46.1Very low50.1Low59 Ų5978.7 Ų78.722%0.22338%0.381CS..BIsolated β-bridgetrans-92.3135.6170.5-68.484.4000110.3Y423 V432Y423-W507 HydrophobicContact CE1-CE3 4.43Å; Y423-W507 HydrophobicContact CE1-CZ3 4.21Å; V432-W507 HydrophobicContact CB-CH2 4.49Å; V432-W507 HydrophobicContact CB-CZ3 4.37Å; V432-W507 HydrophobicContact CG1-CH2 4.12Å; V432-W507 HydrophobicContact CG1-CZ3 3.67Å
508I52.5Low49.7Very low23 Ų2382 Ų8212%0.11840%0.397CS..  trans-117.1132.7172.8-56.1172.4000106.5G434 E512G434-I508 WeakPolarHBondContact CA-O 3.08Å; G434-I508 PolarHBondContact O-N 3.23Å; I508-E512 HydrophobicContact CG2-CB 4.25Å
509Y54.5Low49.2Very low78 Ų7881.5 Ų81.531%0.30640%0.396SS..  trans-81.4143.6-178.9-65.4-77.8000111.7K419 Y423 S511 E512 W513K419-Y509 HydrophobicContact CD-CD1 3.4Å; K419-Y509 VanDerWaalsContact CD-CD1 3.4Å; K419-Y509 HydrophobicContact CD-CE1 3.65Å; K419-Y509 HydrophobicContact CD-CG 4.27Å; Y423-Y509 WeakPolarHBondContact OH-CD1 3.48Å; Y509-S511 WeakPolarHBondContact CB-OG 3.37Å; Y509-S511 PolarHBondContact O-N 3.49Å; Y509-S511 VanDerWaalsContact O-N 3.13Å; Y509-E512 PolarHBondContact N-OE2 3.26Å; Y509-E512 WeakPolarHBondContact O-CA 3.39Å; Y509-E512 VanDerWaalsContact O-CB 3.28Å; Y509-E512 WeakPolarHBondContact O-CB 3.27Å; Y509-E512 PolarHBondContact O-N 2.93Å; Y509-W513 PolarHBondContact O-N 3.45Å
510V57Low48.9Very low9 Ų977.5 Ų77.56%0.05538%0.38CS..Hα-helixtrans-58.2-28.2175.9-179.70000112.4F422 P433 I491 E512 W513 L514F422-V510 HydrophobicContact CB-CB 3.84Å; F422-V510 HydrophobicContact CB-CG1 4.09Å; F422-V510 HydrophobicContact CB-CG2 4.14Å; F422-V510 HydrophobicContact CD1-CG1 4.47Å; F422-V510 HydrophobicContact CG-CB 4.47Å; P433-V510 HydrophobicContact CB-CG2 4.13Å; P433-V510 HydrophobicContact CG-CG2 4.31Å; I491-V510 HydrophobicContact CD1-CG1 4.27Å; V510-E512 PolarHBondContact O-N 3.3Å; V510-W513 WeakPolarHBondContact O-CB 3.41Å; V510-W513 PolarHBondContact O-N 3.21Å; V510-L514 PolarHBondContact O-N 3.2Å
511S55.9Low48.6Very low64 Ų6473.3 Ų73.345%0.44836%0.358SS..Hα-helixtrans-64.8-22170.156.90000114.6Y509Y509-S511 WeakPolarHBondContact CB-OG 3.37Å; Y509-S511 PolarHBondContact O-N 3.49Å; Y509-S511 VanDerWaalsContact O-N 3.13Å
512E55.5Low48.5Very low64 Ų6468.7 Ų68.730%0.29934%0.338SS..Hα-helixtrans-85.7-40176.3-62.3166.4158.500110.4I508 Y509 V510 L514 S515I508-E512 HydrophobicContact CG2-CB 4.25Å; Y509-E512 PolarHBondContact N-OE2 3.26Å; Y509-E512 WeakPolarHBondContact O-CA 3.39Å; Y509-E512 VanDerWaalsContact O-CB 3.28Å; Y509-E512 WeakPolarHBondContact O-CB 3.27Å; Y509-E512 PolarHBondContact O-N 2.93Å; V510-E512 PolarHBondContact O-N 3.3Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 2.9Å; E512-S515 WeakPolarHBondContact O-CB 3.24Å; E512-S515 PolarHBondContact O-N 3.48Å
513W57.9Low48Very low24 Ų2467.9 Ų67.99%0.09133%0.333CS..Hα-helixtrans-54.3-41.5170.5-75.687.7000113L478 A492 R494 Y509 V510 S515L478-W513 HydrophobicContact CD1-CH2 4.1Å; L478-W513 HydrophobicContact CD1-CZ3 3.71Å; L478-W513 HydrophobicContact CD2-CZ3 4.13Å; L478-W513 HydrophobicContact CG-CH2 4.09Å; L478-W513 HydrophobicContact CG-CZ3 3.83Å; A492-W513 HydrophobicContact CB-CE3 3.93Å; A492-W513 HydrophobicContact CB-CH2 3.57Å; A492-W513 HydrophobicContact CB-CZ2 4.44Å; A492-W513 HydrophobicContact CB-CZ3 3.29Å; R494-W513 HydrophobicContact CB-CH2 3.72Å; R494-W513 HydrophobicContact CB-CZ2 3.71Å; R494-W513 HydrophobicContact CG-CH2 4.44Å; Y509-W513 PolarHBondContact O-N 3.45Å; V510-W513 WeakPolarHBondContact O-CB 3.41Å; V510-W513 PolarHBondContact O-N 3.21Å; W513-S515 VanDerWaalsContact C-N 3.32Å
514L55.6Low48Very low24 Ų2464.9 Ų64.913%0.12633%0.328CS..THydrogen-bonded Turntrans-81-4.1178.3-77.8173000114.4I491 V510 E512 P516 W539 L542I491-L514 HydrophobicContact CD1-CD1 3.8Å; I491-L514 HydrophobicContact CD1-CD2 3.69Å; I491-L514 HydrophobicContact CD1-CG 3.7Å; V510-L514 PolarHBondContact O-N 3.2Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 2.9Å; L514-P516 VanDerWaalsContact O-CD 3.25Å; L514-P516 WeakPolarHBondContact O-CD 3.16Å; L514-W539 HydrophobicContact CB-CZ2 4.4Å; L514-W539 HydrophobicContact CD2-CD2 4.16Å; L514-W539 HydrophobicContact CD2-CE3 4.45Å; L514-W539 HydrophobicContact CD2-CZ2 4.37Å; L514-W539 VanDerWaalsContact O-CE2 3.31Å; L514-W539 WeakPolarHBondContact O-CZ2 3.42Å; L514-W539 PolarHBondContact O-NE1 3.13Å; L514-L542 HydrophobicContact CD1-CD2 3.88Å; L514-L542 HydrophobicContact CD2-CB 4.11Å; L514-L542 HydrophobicContact CD2-CD2 3.51Å; L514-L542 HydrophobicContact CD2-CG 4.37Å; L514-L542 HydrophobicContact CG-CD2 4.36Å
515S59.1Low47.3Very low32 Ų3263.8 Ų63.822%0.22433%0.326CS..  trans-76.1118.2178.9-179.90000110.2E512 W513 W517 H518 S535E512-S515 WeakPolarHBondContact O-CB 3.24Å; E512-S515 PolarHBondContact O-N 3.48Å; W513-S515 VanDerWaalsContact C-N 3.32Å; S515-W517 PolarHBondContact O-N 3.33Å; S515-W517 PolarHBondContact OG-N 3.34Å; S515-H518 PolarHBondContact O-N 3.18Å; S515-H518 VanDerWaalsContact O-N 3.09Å; S515-H518 PolarHBondContact OG-N 3.38Å; S515-S535 WeakPolarHBondContact O-CB 3.28Å
516P51.8Low46.9Very low72 Ų7267.1 Ų67.147%0.46834%0.341SS..THydrogen-bonded Turntrans-57.1-25.9174.6-22.734.4000112.4L514 S535L514-P516 VanDerWaalsContact O-CD 3.25Å; L514-P516 WeakPolarHBondContact O-CD 3.16Å; P516-S535 PolarHBondContact O-OG 3.28Å
517W47.6Very low45.9Very low226 Ų22669.4 Ų69.486%0.85635%0.354SS*.THydrogen-bonded Turntrans-88.8-12.1-175.7-49.8104.4000114.1S515 S519S515-W517 PolarHBondContact O-N 3.33Å; S515-W517 PolarHBondContact OG-N 3.34Å; W517-S519 PolarHBondContact O-N 3.13Å
518H43.8Very low45.4Very low88 Ų8873.4 Ų73.441%0.40737%0.369SS..  trans-100.178.5-176.8-152.8116.4000110.6S515 S520S515-H518 PolarHBondContact O-N 3.18Å; S515-H518 VanDerWaalsContact O-N 3.09Å; S515-H518 PolarHBondContact OG-N 3.38Å; H518-S520 PolarHBondContact O-N 3.28Å
519S40.5Very low44.4Very low23 Ų2376 Ų7616%0.16138%0.383CS..  trans-60.6125.3170.656.50000110.5W517 R530W517-S519 PolarHBondContact O-N 3.13Å; S519-R530 WeakPolarHBondContact OG-CB 3.33Å; S519-R530 WeakPolarHBondContact OG-CG 3.38Å
520S42.3Very low43.6Very low17 Ų1781 Ų8112%0.11940%0.401CS..  trans-61.5161-17435.90000114.4H518 S647 S648H518-S520 PolarHBondContact O-N 3.28Å; S520-S647 CarbonylContact C-O 3.16Å; S520-S647 CarbonylContact O-C 3.48Å; S520-S647 PolarHBondContact O-N 3.33Å; S520-S648 VanDerWaalsContact C-OG 3.31Å; S520-S648 VanDerWaalsContact CB-OG 3.28Å; S520-S648 WeakPolarHBondContact CB-OG 3.47Å; S520-S648 PolarHBondContact O-OG 3.32Å; S520-S648 VanDerWaalsContact O-OG 3.13Å; S520-S648 PolarHBondContact OG-OG 3.32Å
521T37.8Very low43Very low35 Ų3582.3 Ų82.322%0.21541%0.406CS..  trans-119122.4-157.344.60000116.5Q476 R494 N645 S647Q476-T521 PolarHBondContact NE2-O 3.1Å; R494-T521 PolarHBondContact NH1-O 2.78Å; R494-T521 PolarHBondContact NH1-OG1 3.38Å; R494-T521 PolarHBondContact NH2-O 3.12Å; T521-N645 WeakPolarHBondContact CA-O 3.08Å; T521-N645 WeakPolarHBondContact CB-O 3.41Å; T521-N645 VanDerWaalsContact CG2-O 3.29Å; T521-N645 WeakPolarHBondContact CG2-O 3.25Å; T521-S647 CarbonylContact C-O 3.44Å; T521-S647 WeakPolarHBondContact CA-O 3.5Å; T521-S647 PolarHBondContact N-O 3.41Å
522I41Very low42.5Very low33 Ų3382.5 Ų82.517%0.16941%0.406CS..  trans-114-74169.4-64.3159.6000110S474 Q476 T524 G646 S647S474-I522 WeakPolarHBondContact OG-CG2 3.14Å; Q476-I522 HydrophobicContact CG-CD1 4.42Å; Q476-I522 HydrophobicContact CG-CG1 3.89Å; I522-T524 PolarHBondContact O-N 2.78Å; I522-G646 CarbonylContact C-O 3.54Å; I522-G646 PolarHBondContact N-O 3.49Å; I522-S647 VanDerWaalsContact CG1-C 3.42Å; I522-S647 WeakPolarHBondContact CG1-O 3.23Å; I522-S647 PolarHBondContact N-O 3.08Å
523S30.7Very low42.1Very low27 Ų2780.6 Ų80.619%0.18940%0.403CS..  trans-74.6124.7-151.2480000111.2T525 G646S523-T525 PolarHBondContact O-N 3.43Å; S523-G646 PolarHBondContact N-O 2.99Å; S523-G646 PolarHBondContact OG-O 3.34Å; S523-G646 VanDerWaalsContact OG-O 3.09Å
524T41.9Very low41.9Very low125 Ų12579.9 Ų79.977%0.76740%0.401SS*.SBendtrans-58.1-24.7168.249.70000111.9I522I522-T524 PolarHBondContact O-N 2.78Å
525T29.1Very low41.9Very low108 Ų10879.1 Ų79.166%0.66340%0.398SS*.SBendtrans-100.380.4-175.344.60000114.3S523 Q527S523-T525 PolarHBondContact O-N 3.43Å; T525-Q527 PolarHBondContact O-N 3.32Å
526E36Very low42Very low168 Ų16882.3 Ų82.379%0.78541%0.411SS*.SBendtrans56.8-39.8155.2-58-145.1123.800122.4N645E526-N645 WeakPolarHBondContact CA-ND2 2.96Å; E526-N645 PolarHBondContact O-ND2 3.41Å; E526-N645 VanDerWaalsContact O-ND2 3.09Å
527Q28.2Very low42.4Very low159 Ų15981.4 Ų81.474%0.74340%0.4SS*.  trans-81138.7-173.5-66.3-165.6-14.700113.4T525T525-Q527 PolarHBondContact O-N 3.32Å
528R34.6Very low43.2Very low142 Ų14270.6 Ų70.654%0.53636%0.359SS..  trans-125.369-164.2-62.3-176.1-173.5156.49.7113.5L644 N645R528-L644 VanDerWaalsContact NH2-CD2 3.32Å; R528-N645 WeakPolarHBondContact CD-OD1 3.3Å; R528-N645 VanDerWaalsContact CG-OD1 3.25Å; R528-N645 WeakPolarHBondContact CG-OD1 3.49Å; R528-N645 PolarHBondContact NE-OD1 2.85Å
529D32.5Very low44.2Very low79 Ų7971.4 Ų71.442%0.42236%0.359SS..  trans-75.3130.2167-80.5-43.5000110.6F531 S647D529-F531 HydrophobicContact CB-CE2 4.1Å; D529-F531 HydrophobicContact CB-CZ 4.12Å; D529-S647 PolarHBondContact O-OG 2.97Å
530R37Very low45.5Very low182 Ų18275 Ų7569%0.68738%0.376SS*.  trans-105.4110.7-172.6-57.1-168.1-153.71738109.9S519 P532S519-R530 WeakPolarHBondContact OG-CB 3.33Å; S519-R530 WeakPolarHBondContact OG-CG 3.38Å; R530-P532 WeakPolarHBondContact O-CD 3.21Å
531F44.9Very low46.5Very low37 Ų3774.8 Ų74.816%0.16238%0.375CS..  trans-97.4102.9177-61.3-71.8000110.9I321 D529 G533 I534I321-F531 HydrophobicContact CD1-CZ 4.17Å; D529-F531 HydrophobicContact CB-CE2 4.1Å; D529-F531 HydrophobicContact CB-CZ 4.12Å; F531-G533 PolarHBondContact O-N 2.74Å; F531-I534 HydrophobicContact CB-CD1 3.83Å
532P44Very low47.9Very low68 Ų6873.6 Ų73.644%0.44237%0.367SS..THydrogen-bonded Turntrans-72.1-10.8176.730.6-36.3000113.2R530 I534 S535 I536R530-P532 WeakPolarHBondContact O-CD 3.21Å; P532-I534 PolarHBondContact O-N 3.04Å; P532-S535 PolarHBondContact O-N 3.02Å; P532-S535 PolarHBondContact O-OG 3.49Å; P532-S535 VanDerWaalsContact O-OG 3.08Å; P532-I536 WeakPolarHBondContact O-CG1 3.27Å; P532-I536 PolarHBondContact O-N 2.97Å
533G47.8Very low49.1Very low23 Ų2376 Ų7624%0.23738%0.38CS..Hα-helixtrans-59.2-42179.100000113.3F531 S535 I536 F537F531-G533 PolarHBondContact O-N 2.74Å; G533-S535 PolarHBondContact O-N 3.44Å; G533-I536 PolarHBondContact O-N 3.04Å; G533-F537 WeakPolarHBondContact O-CD2 3.16Å; G533-F537 PolarHBondContact O-N 2.91Å
534I53Low50.6Low10 Ų1077.4 Ų77.45%0.05139%0.389CS..Hα-helixtrans-62.9-44-176.1-69.374.2000110.8L478 F531 P532 I536 F537 C538L478-I534 HydrophobicContact CD1-CG2 3.94Å; F531-I534 HydrophobicContact CB-CD1 3.83Å; P532-I534 PolarHBondContact O-N 3.04Å; I534-I536 VanDerWaalsContact C-N 3.33Å; I534-I536 PolarHBondContact O-N 3.31Å; I534-F537 PolarHBondContact O-N 3.37Å; I534-C538 PolarHBondContact O-N 3.46Å; I534-C538 PolarHBondContact O-SG 3.41Å
535S56.5Low51.8Low7 Ų771.6 Ų71.65%0.04935%0.353CS..Hα-helixtrans-66.7-36178.557.80000111.6S515 P516 P532 G533 C538 W539S515-S535 WeakPolarHBondContact O-CB 3.28Å; P516-S535 PolarHBondContact O-OG 3.28Å; P532-S535 PolarHBondContact O-N 3.02Å; P532-S535 PolarHBondContact O-OG 3.49Å; P532-S535 VanDerWaalsContact O-OG 3.08Å; G533-S535 PolarHBondContact O-N 3.44Å; S535-C538 PolarHBondContact O-N 3.2Å; S535-W539 PolarHBondContact O-N 3.45Å
536I60.4Low53.6Low100 Ų10070.3 Ų70.351%0.51334%0.336SS..Hα-helixtrans-61.8-44.3172.2-63.9167.1000111.1P532 G533 I534 C538 W539 L540P532-I536 WeakPolarHBondContact O-CG1 3.27Å; P532-I536 PolarHBondContact O-N 2.97Å; G533-I536 PolarHBondContact O-N 3.04Å; I534-I536 VanDerWaalsContact C-N 3.33Å; I534-I536 PolarHBondContact O-N 3.31Å; I536-C538 PolarHBondContact O-N 2.91Å; I536-W539 PolarHBondContact O-N 3.5Å; I536-L540 HydrophobicContact CG2-CD1 4.16Å; I536-L540 HydrophobicContact CG2-CG 4.49Å; I536-L540 WeakPolarHBondContact O-CG 3.22Å; I536-L540 PolarHBondContact O-N 3.16Å
537F60.5Low54.8Low52 Ų5267.5 Ų67.523%0.22833%0.326CS..Hα-helixtrans-63.1-39.3175-73.5-63.3000112.5I312 Y325 G533 I534 W539 L540 A541 Y652I312-F537 HydrophobicContact CD1-CZ 4.13Å; Y325-F537 HydrophobicContact CE1-CD2 4.34Å; Y325-F537 AromaticContact CE1-CE2 3.9Å; Y325-F537 HydrophobicContact CE1-CE2 3.9Å; Y325-F537 HydrophobicContact CE2-CE2 4.32Å; Y325-F537 AromaticContact CZ-CE2 3.73Å; G533-F537 WeakPolarHBondContact O-CD2 3.16Å; G533-F537 PolarHBondContact O-N 2.91Å; I534-F537 PolarHBondContact O-N 3.37Å; F537-W539 VanDerWaalsContact C-N 3.34Å; F537-W539 PolarHBondContact O-N 3.31Å; F537-L540 HydrophobicContact CD1-CD1 4.42Å; F537-L540 PolarHBondContact O-N 3.39Å; F537-A541 WeakPolarHBondContact O-CB 3.42Å; F537-A541 PolarHBondContact O-N 3.15Å; F537-Y652 VanDerWaalsContact CD1-OH 3.22Å; F537-Y652 WeakPolarHBondContact CD1-OH 3.37Å; F537-Y652 WeakPolarHBondContact CD2-OH 3.38Å; F537-Y652 WeakPolarHBondContact CG-OH 3.44Å
538C64.9Low56.4Low0 Ų060.9 Ų60.90%030%0.297CS..Hα-helixtrans-64.3-36.4173.1-64.10000112.6I491 I534 S535 I536 L542I491-C538 HydrophobicContact CG2-CB 4.07Å; I491-C538 WeakPolarHBondContact CG2-O 3.38Å; I534-C538 PolarHBondContact O-N 3.46Å; I534-C538 PolarHBondContact O-SG 3.41Å; S535-C538 PolarHBondContact O-N 3.2Å; I536-C538 PolarHBondContact O-N 2.91Å; C538-L542 VanDerWaalsContact O-CB 3.3Å; C538-L542 WeakPolarHBondContact O-CB 3.47Å; C538-L542 PolarHBondContact O-N 2.96Å
539W65.4Low57.7Low105 Ų10554.5 Ų54.540%0.39827%0.273SS..Hα-helixtrans-67.1-41171.9-85.4103.5000112.4L514 S535 I536 F537 L542 I543L514-W539 HydrophobicContact CB-CZ2 4.4Å; L514-W539 HydrophobicContact CD2-CD2 4.16Å; L514-W539 HydrophobicContact CD2-CE3 4.45Å; L514-W539 HydrophobicContact CD2-CZ2 4.37Å; L514-W539 VanDerWaalsContact O-CE2 3.31Å; L514-W539 WeakPolarHBondContact O-CZ2 3.42Å; L514-W539 PolarHBondContact O-NE1 3.13Å; S535-W539 PolarHBondContact O-N 3.45Å; I536-W539 PolarHBondContact O-N 3.5Å; F537-W539 VanDerWaalsContact C-N 3.34Å; F537-W539 PolarHBondContact O-N 3.31Å; W539-L542 HydrophobicContact CE3-CD2 3.9Å; W539-L542 HydrophobicContact CH2-CD2 4.39Å; W539-L542 HydrophobicContact CZ3-CD2 3.71Å; W539-L542 PolarHBondContact O-N 2.86Å; W539-I543 WeakPolarHBondContact O-CB 3.46Å; W539-I543 WeakPolarHBondContact O-CD1 3.43Å; W539-I543 WeakPolarHBondContact O-CG1 3.33Å; W539-I543 PolarHBondContact O-N 3.07Å
540L66.2Low58.9Low99 Ų9955.4 Ų55.452%0.51828%0.277SS..Hα-helixtrans-65.5-42.1175.9-71.3170.7000111.8I536 F537 I543 S544I536-L540 HydrophobicContact CG2-CD1 4.16Å; I536-L540 HydrophobicContact CG2-CG 4.49Å; I536-L540 WeakPolarHBondContact O-CG 3.22Å; I536-L540 PolarHBondContact O-N 3.16Å; F537-L540 HydrophobicContact CD1-CD1 4.42Å; F537-L540 PolarHBondContact O-N 3.39Å; L540-I543 PolarHBondContact O-N 2.92Å; L540-S544 WeakPolarHBondContact O-CB 3.14Å; L540-S544 PolarHBondContact O-N 2.91Å
541A64.5Low59.8Low12 Ų1249.6 Ų49.610%0.09927%0.265CS..Hα-helixtrans-65.6-41.7174.100000111.9I480 I491 F537 I543 S544 N545I480-A541 HydrophobicContact CG2-CB 3.97Å; I491-A541 HydrophobicContact CG2-CB 3.75Å; F537-A541 WeakPolarHBondContact O-CB 3.42Å; F537-A541 PolarHBondContact O-N 3.15Å; A541-I543 PolarHBondContact O-N 3Å; A541-S544 WeakPolarHBondContact O-CB 3.04Å; A541-S544 PolarHBondContact O-N 2.81Å; A541-N545 WeakPolarHBondContact O-CB 3.43Å; A541-N545 PolarHBondContact O-N 3.2Å; A541-N545 PolarHBondContact O-OD1 3.19Å
542L67.1Low60.2Low10 Ų1049.9 Ų49.95%0.05226%0.264CS..Hα-helixtrans-58.5-46.7171.3174.463.4000111.6P487 I491 L514 C538 W539 S544 N545 W546P487-L542 WeakPolarHBondContact O-CD1 3.43Å; I491-L542 HydrophobicContact CD1-CB 4.1Å; I491-L542 HydrophobicContact CD1-CD1 4.23Å; I491-L542 HydrophobicContact CG1-CB 4.34Å; I491-L542 HydrophobicContact CG1-CD1 4.49Å; L514-L542 HydrophobicContact CD1-CD2 3.88Å; L514-L542 HydrophobicContact CD2-CB 4.11Å; L514-L542 HydrophobicContact CD2-CD2 3.51Å; L514-L542 HydrophobicContact CD2-CG 4.37Å; L514-L542 HydrophobicContact CG-CD2 4.36Å; C538-L542 VanDerWaalsContact O-CB 3.3Å; C538-L542 WeakPolarHBondContact O-CB 3.47Å; C538-L542 PolarHBondContact O-N 2.96Å; W539-L542 HydrophobicContact CE3-CD2 3.9Å; W539-L542 HydrophobicContact CH2-CD2 4.39Å; W539-L542 HydrophobicContact CZ3-CD2 3.71Å; W539-L542 PolarHBondContact O-N 2.86Å; L542-S544 VanDerWaalsContact C-N 3.34Å; L542-N545 PolarHBondContact O-N 2.96Å; L542-W546 PolarHBondContact O-N 3.42Å
543I65.2Low60.4Low84 Ų8450.4 Ų50.443%0.43126%0.258SS..Hα-helixtrans-64.1-40.3178.5-71.2163.8000110.7W539 L540 A541 N545 W546 I547W539-I543 WeakPolarHBondContact O-CB 3.46Å; W539-I543 WeakPolarHBondContact O-CD1 3.43Å; W539-I543 WeakPolarHBondContact O-CG1 3.33Å; W539-I543 PolarHBondContact O-N 3.07Å; L540-I543 PolarHBondContact O-N 2.92Å; A541-I543 PolarHBondContact O-N 3Å; I543-N545 VanDerWaalsContact C-N 3.34Å; I543-N545 PolarHBondContact O-N 3.47Å; I543-W546 PolarHBondContact O-N 2.8Å; I543-I547 HydrophobicContact CG2-CD1 3.74Å; I543-I547 HydrophobicContact CG2-CG1 4.42Å; I543-I547 WeakPolarHBondContact O-CB 3.35Å; I543-I547 VanDerWaalsContact O-CG1 3.28Å; I543-I547 WeakPolarHBondContact O-CG1 3.18Å; I543-I547 PolarHBondContact O-N 3.32Å
544S63.5Low60.2Low55 Ų5557.4 Ų57.439%0.38529%0.285SS..Hα-helixtrans-59.1-43.8172.5-170.50000111.6L540 A541 L542 I547 S548L540-S544 WeakPolarHBondContact O-CB 3.14Å; L540-S544 PolarHBondContact O-N 2.91Å; A541-S544 WeakPolarHBondContact O-CB 3.04Å; A541-S544 PolarHBondContact O-N 2.81Å; L542-S544 VanDerWaalsContact C-N 3.34Å; S544-I547 PolarHBondContact O-N 2.97Å; S544-S548 WeakPolarHBondContact O-CB 3.45Å; S544-S548 PolarHBondContact O-N 3.46Å
545N65.8Low59.9Low3 Ų362.9 Ų62.92%0.01631%0.314CS..Hα-helixtrans-68.9-35.8179.4-675.9000111.6D481 P482 S489 A541 L542 I543 Y549D481-N545 PolarHBondContact O-ND2 3.13Å; D481-N545 PolarHBondContact O-OD1 2.9Å; P482-N545 VanDerWaalsContact C-OD1 3.27Å; P482-N545 WeakPolarHBondContact CA-OD1 3.45Å; P482-N545 PolarHBondContact O-OD1 2.86Å; S489-N545 PolarHBondContact OG-ND2 3.42Å; A541-N545 WeakPolarHBondContact O-CB 3.43Å; A541-N545 PolarHBondContact O-N 3.2Å; A541-N545 PolarHBondContact O-OD1 3.19Å; L542-N545 PolarHBondContact O-N 2.96Å; I543-N545 VanDerWaalsContact C-N 3.34Å; I543-N545 PolarHBondContact O-N 3.47Å; N545-Y549 WeakPolarHBondContact O-CB 3.5Å; N545-Y549 PolarHBondContact O-N 3.32Å
546W67.8Low59.4Low82 Ų8266.5 Ų66.531%0.31133%0.327SS..Hα-helixtrans-64.3-43.3168.9-87.997.9000112.6P487 F488 L542 I543 Y549 L550 L590P487-W546 HydrophobicContact CB-CD2 3.54Å; P487-W546 HydrophobicContact CB-CE3 3.94Å; P487-W546 HydrophobicContact CB-CG 3.86Å; P487-W546 HydrophobicContact CB-CH2 4.3Å; P487-W546 HydrophobicContact CB-CZ2 3.93Å; P487-W546 HydrophobicContact CB-CZ3 4.3Å; P487-W546 HydrophobicContact CG-CD2 4.31Å; P487-W546 HydrophobicContact CG-CE3 4.34Å; P487-W546 HydrophobicContact CG-CH2 4.04Å; P487-W546 HydrophobicContact CG-CZ2 3.99Å; P487-W546 HydrophobicContact CG-CZ3 4.22Å; F488-W546 HydrophobicContact CE1-CZ2 4.23Å; F488-W546 HydrophobicContact CE2-CZ2 4.15Å; F488-W546 AromaticContact CZ-CZ2 3.79Å; F488-W546 HydrophobicContact CZ-CZ2 3.79Å; L542-W546 PolarHBondContact O-N 3.42Å; I543-W546 PolarHBondContact O-N 2.8Å; W546-Y549 PolarHBondContact O-N 3.06Å; W546-L550 HydrophobicContact CE3-CD1 4.34Å; W546-L550 VanDerWaalsContact O-CB 3.31Å; W546-L550 WeakPolarHBondContact O-CB 3.44Å; W546-L550 WeakPolarHBondContact O-CG 3.5Å; W546-L550 PolarHBondContact O-N 2.8Å; W546-L590 HydrophobicContact CH2-CD1 4.07Å; W546-L590 HydrophobicContact CH2-CD2 4.04Å; W546-L590 HydrophobicContact CZ3-CD2 4.26Å
547I61.9Low58.5Low109 Ų10966 Ų6656%0.55932%0.322SS*.Hα-helixtrans-66.4-43.8178.6-69.7166.4000110.8I543 S544 L550 S551I543-I547 HydrophobicContact CG2-CD1 3.74Å; I543-I547 HydrophobicContact CG2-CG1 4.42Å; I543-I547 WeakPolarHBondContact O-CB 3.35Å; I543-I547 VanDerWaalsContact O-CG1 3.28Å; I543-I547 WeakPolarHBondContact O-CG1 3.18Å; I543-I547 PolarHBondContact O-N 3.32Å; S544-I547 PolarHBondContact O-N 2.97Å; I547-L550 PolarHBondContact O-N 3.08Å; I547-S551 WeakPolarHBondContact O-CB 3.47Å; I547-S551 PolarHBondContact O-N 3.5Å; I547-S551 PolarHBondContact O-OG 3.49Å
548S60.6Low57.3Low19 Ų1965.8 Ų65.813%0.13333%0.325CS..Hα-helixtrans-65.4-38.9176.3-174.10000112.2S544 S551 R552S544-S548 WeakPolarHBondContact O-CB 3.45Å; S544-S548 PolarHBondContact O-N 3.46Å; S548-S551 PolarHBondContact O-OG 3.09Å; S548-S551 VanDerWaalsContact O-OG 3.12Å; S548-R552 WeakPolarHBondContact O-CB 3.41Å; S548-R552 WeakPolarHBondContact O-CD 3.3Å; S548-R552 WeakPolarHBondContact O-CG 3.4Å; S548-R552 PolarHBondContact O-N 3.28Å; S548-R552 VanDerWaalsContact O-N 3.11Å
549Y62Low56.1Low8 Ų870 Ų703%0.03135%0.354CS..Hα-helixtrans-63.9-42.1172-179.9-102.2000112.1L485 P487 N545 W546 Y553 I585 L590 T591L485-Y549 WeakPolarHBondContact O-CD2 3.47Å; P487-Y549 HydrophobicContact CB-CD1 4.47Å; P487-Y549 HydrophobicContact CB-CG 4.38Å; P487-Y549 HydrophobicContact CG-CD1 4.12Å; P487-Y549 HydrophobicContact CG-CE1 4.47Å; P487-Y549 HydrophobicContact CG-CG 4.21Å; N545-Y549 WeakPolarHBondContact O-CB 3.5Å; N545-Y549 PolarHBondContact O-N 3.32Å; W546-Y549 PolarHBondContact O-N 3.06Å; Y549-Y553 PolarHBondContact O-N 3.44Å; Y549-I585 HydrophobicContact CE2-CG2 4.11Å; Y549-L590 HydrophobicContact CE1-CD2 3.88Å; Y549-L590 WeakPolarHBondContact OH-CA 3.35Å; Y549-T591 HydrophobicContact CE2-CG2 3.93Å; Y549-T591 VanDerWaalsContact CE2-OG1 3.24Å; Y549-T591 WeakPolarHBondContact CE2-OG1 3.41Å
550L58Low54.9Low98 Ų9872.9 Ų72.951%0.51338%0.376SS..Hα-helixtrans-76.6-31.1-179.3-70.7170.2000113.6W546 I547 Y553W546-L550 HydrophobicContact CE3-CD1 4.34Å; W546-L550 VanDerWaalsContact O-CB 3.31Å; W546-L550 WeakPolarHBondContact O-CB 3.44Å; W546-L550 WeakPolarHBondContact O-CG 3.5Å; W546-L550 PolarHBondContact O-N 2.8Å; I547-L550 PolarHBondContact O-N 3.08Å; L550-Y553 VanDerWaalsContact O-CB 3.32Å; L550-Y553 WeakPolarHBondContact O-CB 3.35Å; L550-Y553 PolarHBondContact O-N 2.87Å
551S56.4Low53.3Low61 Ų6170 Ų7043%0.42737%0.37SS..Hα-helixtrans-70.3-38.6171.664.60000111.2I547 S548 Y553 E554 L555I547-S551 WeakPolarHBondContact O-CB 3.47Å; I547-S551 PolarHBondContact O-N 3.5Å; I547-S551 PolarHBondContact O-OG 3.49Å; S548-S551 PolarHBondContact O-OG 3.09Å; S548-S551 VanDerWaalsContact O-OG 3.12Å; S551-Y553 PolarHBondContact O-N 3.44Å; S551-E554 WeakPolarHBondContact O-CB 3.46Å; S551-E554 PolarHBondContact O-N 3.03Å; S551-E554 VanDerWaalsContact O-N 3.09Å; S551-L555 PolarHBondContact O-N 2.94Å
552R51.9Low51.9Low42 Ų4280.4 Ų80.416%0.15841%0.408CS..Hα-helixtrans-60.5-34169.5-73.4169.5-1791692.2111.7L483 A484 S548 E554 L555 Y556 D658L483-R552 PolarHBondContact O-NH1 3.28Å; A484-R552 PolarHBondContact O-NH1 3.36Å; S548-R552 WeakPolarHBondContact O-CB 3.41Å; S548-R552 WeakPolarHBondContact O-CD 3.3Å; S548-R552 WeakPolarHBondContact O-CG 3.4Å; S548-R552 PolarHBondContact O-N 3.28Å; S548-R552 VanDerWaalsContact O-N 3.11Å; R552-E554 PolarHBondContact O-N 3.4Å; R552-L555 PolarHBondContact O-N 3.02Å; R552-Y556 HydrophobicContact CB-CD2 4.09Å; R552-Y556 HydrophobicContact CB-CE2 4.02Å; R552-Y556 HydrophobicContact CG-CE2 4.38Å; R552-Y556 WeakPolarHBondContact O-CD2 3.19Å; R552-Y556 PolarHBondContact O-N 3.34Å; R552-D658 IonicContact NH2-OD2 3.84Å
553Y49.4Very low50.6Low80 Ų8085.3 Ų85.331%0.31444%0.444SS..Hα-helixtrans-62.5-21.7174.5-165.5-96.6000114.2Y549 L550 S551 I585 S587Y549-Y553 PolarHBondContact O-N 3.44Å; L550-Y553 VanDerWaalsContact O-CB 3.32Å; L550-Y553 WeakPolarHBondContact O-CB 3.35Å; L550-Y553 PolarHBondContact O-N 2.87Å; S551-Y553 PolarHBondContact O-N 3.44Å; Y553-I585 HydrophobicContact CD2-CG2 4.5Å; Y553-S587 WeakPolarHBondContact CE2-OG 3.41Å; Y553-S587 VanDerWaalsContact OH-CB 3.28Å; Y553-S587 WeakPolarHBondContact OH-CB 3.14Å; Y553-S587 PolarHBondContact OH-OG 3.46Å
554E44.4Very low49.2Very low169 Ų16990.1 Ų90.179%0.7946%0.457SS*.Hα-helixtrans-81.5-34.6170.7-170.3175.2175.600112.3S551 R552S551-E554 WeakPolarHBondContact O-CB 3.46Å; S551-E554 PolarHBondContact O-N 3.03Å; S551-E554 VanDerWaalsContact O-N 3.09Å; R552-E554 PolarHBondContact O-N 3.4Å
555L45.5Very low48.1Very low126 Ų12692.7 Ų92.766%0.6647%0.472SS*.Hα-helixtrans-71.9-37.6177.5-69.4167.4000112.8S551 R552 H557S551-L555 PolarHBondContact O-N 2.94Å; R552-L555 PolarHBondContact O-N 3.02Å; L555-H557 PolarHBondContact O-N 3.47Å
556Y45.6Very low46.8Very low82 Ų82100.9 Ų100.932%0.32251%0.51SS..SBendtrans-88.988.9178.1-64-70.4000110.2R552 T558 I585R552-Y556 HydrophobicContact CB-CD2 4.09Å; R552-Y556 HydrophobicContact CB-CE2 4.02Å; R552-Y556 HydrophobicContact CG-CE2 4.38Å; R552-Y556 WeakPolarHBondContact O-CD2 3.19Å; R552-Y556 PolarHBondContact O-N 3.34Å; Y556-T558 PolarHBondContact O-N 3.32Å; Y556-T558 PolarHBondContact O-OG1 2.91Å; Y556-I585 HydrophobicContact CD2-CD1 3.39Å; Y556-I585 HydrophobicContact CE2-CD1 3.69Å; Y556-I585 HydrophobicContact CG-CD1 4.05Å
557H41.6Very low45.5Very low90 Ų9099.8 Ų99.842%0.41751%0.512SS..  trans-44.9-4.8-172.7-86.7-103.7000119.1L555 C559L555-H557 PolarHBondContact O-N 3.47Å; H557-C559 PolarHBondContact O-N 3.29Å
558T36.9Very low44.4Very low47 Ų4798.6 Ų98.629%0.28851%0.511SS..THydrogen-bonded Turntrans-73.884.4-177.446.60000112.8Y556Y556-T558 PolarHBondContact O-N 3.32Å; Y556-T558 PolarHBondContact O-OG1 2.91Å
559C39.2Very low43.6Very low90 Ų90103.8 Ų103.861%0.60854%0.535SS*.THydrogen-bonded Turn171.3-26.6122-91.90000115.2H557H557-C559 PolarHBondContact O-N 3.29Å
560L39.2Very low42.5Very low165 Ų165111.1 Ų111.186%0.86457%0.568SS**THydrogen-bonded Turntrans-136.7-2.3-166.2-72.2174.6000117.1
561G32.7Very low42Very low39 Ų39107.5 Ų107.540%0.40255%0.55SS.*  trans-114.977.7-16900000116.2S563G561-S563 PolarHBondContact O-N 2.98Å
562Y35.5Very low41.3Very low229 Ų229112.8 Ų112.890%0.89857%0.566SS**  trans-81.113.6174.9-79.4-77.6000114.7
563S40.6Very low41.1Very low114 Ų114113.5 Ų113.580%0.79758%0.581SS**  trans-101.7-3-163.251.10000116.4G561G561-S563 PolarHBondContact O-N 2.98Å
564R35.8Very low40.9Very low185 Ų185111.2 Ų111.270%0.69858%0.576SS**SBendtrans-91.5133.2172.5-122-178.8-175.4-174.51.9110.5T567R564-T567 PolarHBondContact O-OG1 2.7Å
565P39.4Very low41Very low108 Ų108110.6 Ų110.670%0.70157%0.567SS**SBendtrans-58.4161.3171.3-24.735.2000112.7T567P565-T567 PolarHBondContact O-N 2.62Å
566E39.2Very low41.1Very low176 Ų176110.6 Ų110.682%0.82257%0.567SS**SBendtrans69.9-24.7174.5-54.3-175.1-174.900117.5T568E566-T568 PolarHBondContact O-N 3.33Å
567T41Very low41Very low58 Ų58110.1 Ų110.136%0.35657%0.572SS.*  trans-77.664.9174.958.60000113R564 P565R564-T567 PolarHBondContact O-OG1 2.7Å; P565-T567 PolarHBondContact O-N 2.62Å
568T38.7Very low41Very low85 Ų85110.1 Ų110.152%0.52157%0.572SS.*  trans-89.1160.9167.463.80000111.2E566 F570 S571E566-T568 PolarHBondContact O-N 3.33Å; T568-F570 PolarHBondContact O-N 3.32Å; T568-S571 VanDerWaalsContact O-CB 3.28Å; T568-S571 WeakPolarHBondContact O-CB 3.42Å; T568-S571 PolarHBondContact O-N 3.48Å; T568-S571 PolarHBondContact O-OG 2.79Å
569I42.6Very low41.2Very low128 Ų128111.2 Ų111.266%0.65658%0.58SS**THydrogen-bonded Turntrans-50.8-29176.1-80.5170.9000113.3
570F39.7Very low41.1Very low161 Ų161112.4 Ų112.471%0.70658%0.575SS**THydrogen-bonded Turntrans-85.5-10-179.6-59.7-71.2000114.1T568 R575T568-F570 PolarHBondContact O-N 3.32Å; F570-R575 PolarHBondContact O-NH2 3.04Å
571S46.1Very low41.2Very low22 Ų22104.7 Ų104.715%0.15454%0.536CS..  trans-64146.5-177.667.50000112.9T568 A573 C574 R575T568-S571 VanDerWaalsContact O-CB 3.28Å; T568-S571 WeakPolarHBondContact O-CB 3.42Å; T568-S571 PolarHBondContact O-N 3.48Å; T568-S571 PolarHBondContact O-OG 2.79Å; S571-A573 VanDerWaalsContact C-N 3.32Å; S571-C574 WeakPolarHBondContact OG-CB 3.13Å; S571-C574 PolarHBondContact OG-N 2.85Å; S571-R575 PolarHBondContact O-N 2.75Å
572K42.8Very low41.7Very low173 Ų173105.4 Ų105.475%0.75253%0.534SS*.Hα-helixtrans-65.6-35.5173.9-81.3-173175.9-1770111.9L576K572-L576 WeakPolarHBondContact O-CB 3.3Å; K572-L576 WeakPolarHBondContact O-CG 3.19Å; K572-L576 PolarHBondContact O-N 3.04Å; K572-L576 VanDerWaalsContact O-N 3.1Å
573A46.5Very low41.9Very low57 Ų5798.7 Ų98.747%0.47152%0.52SS..Hα-helixtrans-58.9-54.2177.200000110.8S571 R575 L576 T577S571-A573 VanDerWaalsContact C-N 3.32Å; A573-R575 PolarHBondContact O-N 3.13Å; A573-L576 PolarHBondContact O-N 3.47Å; A573-L576 VanDerWaalsContact O-N 3.12Å; A573-T577 PolarHBondContact O-N 3.23Å; A573-T577 PolarHBondContact O-OG1 3.06Å
574C45.7Very low42Very low32 Ų3296.7 Ų96.722%0.21650%0.495CS..Hα-helixtrans-55.6-52.7178.3-164.70000111.4S571 L576 T577 E578S571-C574 WeakPolarHBondContact OG-CB 3.13Å; S571-C574 PolarHBondContact OG-N 2.85Å; C574-L576 PolarHBondContact O-N 3.04Å; C574-L576 VanDerWaalsContact O-N 3.09Å; C574-T577 PolarHBondContact O-N 3.3Å; C574-T577 VanDerWaalsContact O-N 3.1Å; C574-T577 PolarHBondContact O-OG1 2.99Å; C574-E578 WeakPolarHBondContact O-CA 3.4Å; C574-E578 WeakPolarHBondContact O-CB 3.47Å; C574-E578 PolarHBondContact O-N 2.64Å
575R47Very low42.3Very low156 Ų15688.3 Ų88.359%0.58946%0.464SS*.Hα-helixtrans-62.7-20.3-179.3-78.5-174-81.2175-8.9115.2F570 S571 A573F570-R575 PolarHBondContact O-NH2 3.04Å; S571-R575 PolarHBondContact O-N 2.75Å; A573-R575 PolarHBondContact O-N 3.13Å
576L46.5Very low42.6Very low126 Ų12687.7 Ų87.766%0.6645%0.451SS*.Hα-helixtrans-87.5-39172.2-74169.4000112.5K572 A573 C574 F580K572-L576 WeakPolarHBondContact O-CB 3.3Å; K572-L576 WeakPolarHBondContact O-CG 3.19Å; K572-L576 PolarHBondContact O-N 3.04Å; K572-L576 VanDerWaalsContact O-N 3.1Å; A573-L576 PolarHBondContact O-N 3.47Å; A573-L576 VanDerWaalsContact O-N 3.12Å; C574-L576 PolarHBondContact O-N 3.04Å; C574-L576 VanDerWaalsContact O-N 3.09Å; L576-F580 VanDerWaalsContact O-CD2 3.25Å; L576-F580 WeakPolarHBondContact O-CD2 3.33Å
577T44Very low42.7Very low71 Ų7181.3 Ų81.344%0.43643%0.426SS..Hα-helixtrans-89-26.5-176580000114.2A573 C574 F580 G581A573-T577 PolarHBondContact O-N 3.23Å; A573-T577 PolarHBondContact O-OG1 3.06Å; C574-T577 PolarHBondContact O-N 3.3Å; C574-T577 VanDerWaalsContact O-N 3.1Å; C574-T577 PolarHBondContact O-OG1 2.99Å; T577-F580 CarbonylContact O-C 3.57Å; T577-F580 WeakPolarHBondContact O-CA 3.49Å; T577-F580 WeakPolarHBondContact O-CB 3.46Å; T577-F580 PolarHBondContact O-N 3.01Å; T577-G581 PolarHBondContact O-N 2.67Å
578E40.9Very low42.9Very low91 Ų9182.4 Ų82.443%0.42543%0.427SS..Hα-helixtrans-60.9-41.3-176.8-177170.6-141.800112.7C574 F580 G581 S582C574-E578 WeakPolarHBondContact O-CA 3.4Å; C574-E578 WeakPolarHBondContact O-CB 3.47Å; C574-E578 PolarHBondContact O-N 2.64Å; E578-F580 VanDerWaalsContact C-N 3.28Å; E578-F580 PolarHBondContact O-N 3.44Å; E578-G581 PolarHBondContact O-N 3.13Å; E578-S582 WeakPolarHBondContact O-CB 3.39Å; E578-S582 PolarHBondContact O-N 2.72Å; E578-S582 PolarHBondContact O-OG 3.46Å
579P41.3Very low43.2Very low69 Ų6978.9 Ų78.945%0.44841%0.405SS..Hα-helixtrans-58.1-37.7169.5-25.235.5000113.2C583P579-C583 WeakPolarHBondContact O-CB 3.43Å; P579-C583 PolarHBondContact O-N 2.85Å; P579-C583 PolarHBondContact O-SG 2.88Å
580F38.3Very low43.5Very low116 Ų11675 Ų7551%0.50939%0.386SS..Hα-helixtrans-74.3-33.7176.2-64.9-80.7000112.6L576 T577 E578 Y584L576-F580 VanDerWaalsContact O-CD2 3.25Å; L576-F580 WeakPolarHBondContact O-CD2 3.33Å; T577-F580 CarbonylContact O-C 3.57Å; T577-F580 WeakPolarHBondContact O-CA 3.49Å; T577-F580 WeakPolarHBondContact O-CB 3.46Å; T577-F580 PolarHBondContact O-N 3.01Å; E578-F580 VanDerWaalsContact C-N 3.28Å; E578-F580 PolarHBondContact O-N 3.44Å; F580-Y584 HydrophobicContact CB-CD2 4.43Å; F580-Y584 HydrophobicContact CD1-CD2 4.3Å; F580-Y584 AromaticContact CD1-CE2 3.72Å; F580-Y584 HydrophobicContact CD1-CE2 3.72Å; F580-Y584 HydrophobicContact CE1-CE2 4.4Å; F580-Y584 VanDerWaalsContact O-CB 3.3Å; F580-Y584 WeakPolarHBondContact O-CB 3.48Å; F580-Y584 WeakPolarHBondContact O-CD2 3.41Å; F580-Y584 PolarHBondContact O-N 3.34Å
581G41.8Very low43.9Very low3 Ų368.3 Ų68.33%0.03136%0.358CS..Hα-helixtrans-64-58.3170.700000111.2T577 E578 C583 Y584 I585T577-G581 PolarHBondContact O-N 2.67Å; E578-G581 PolarHBondContact O-N 3.13Å; G581-C583 PolarHBondContact O-N 3.19Å; G581-Y584 PolarHBondContact O-N 3.38Å; G581-I585 CarbonylContact O-C 3.57Å; G581-I585 PolarHBondContact O-N 3.21Å
582S41.6Very low43.6Very low53 Ų5368 Ų6837%0.37136%0.356SS..Hα-helixtrans-66.7-35.2-174.6-57.60000114.5E578 F586E578-S582 WeakPolarHBondContact O-CB 3.39Å; E578-S582 PolarHBondContact O-N 2.72Å; E578-S582 PolarHBondContact O-OG 3.46Å; S582-F586 WeakPolarHBondContact O-CE2 3.22Å
583C40.2Very low43.5Very low88 Ų8861.7 Ų61.760%0.59534%0.339SS*.Hα-helixtrans-84.6-19.9179.8-680000114.1P579 G581P579-C583 WeakPolarHBondContact O-CB 3.43Å; P579-C583 PolarHBondContact O-N 2.85Å; P579-C583 PolarHBondContact O-SG 2.88Å; G581-C583 PolarHBondContact O-N 3.19Å
584Y42.7Very low43Very low72 Ų7261.5 Ų61.528%0.28233%0.329SS..Hα-helixtrans-115.4-42.5-172.9-58.8-108.6000113.1F580 G581 T591F580-Y584 HydrophobicContact CB-CD2 4.43Å; F580-Y584 HydrophobicContact CD1-CD2 4.3Å; F580-Y584 AromaticContact CD1-CE2 3.72Å; F580-Y584 HydrophobicContact CD1-CE2 3.72Å; F580-Y584 HydrophobicContact CE1-CE2 4.4Å; F580-Y584 VanDerWaalsContact O-CB 3.3Å; F580-Y584 WeakPolarHBondContact O-CB 3.48Å; F580-Y584 WeakPolarHBondContact O-CD2 3.41Å; F580-Y584 PolarHBondContact O-N 3.34Å; G581-Y584 PolarHBondContact O-N 3.38Å; Y584-T591 WeakPolarHBondContact O-CG2 3.49Å
585I42.4Very low42.4Very low10 Ų1060.6 Ų60.65%0.05132%0.322CS..  trans-126.471.1-165.6-38.1-170.7000113.4Y549 Y553 Y556 G581 T591Y549-I585 HydrophobicContact CE2-CG2 4.11Å; Y553-I585 HydrophobicContact CD2-CG2 4.5Å; Y556-I585 HydrophobicContact CD2-CD1 3.39Å; Y556-I585 HydrophobicContact CE2-CD1 3.69Å; Y556-I585 HydrophobicContact CG-CD1 4.05Å; G581-I585 CarbonylContact O-C 3.57Å; G581-I585 PolarHBondContact O-N 3.21Å; I585-T591 HydrophobicContact CB-CG2 4.4Å; I585-T591 HydrophobicContact CD1-CG2 4.47Å; I585-T591 HydrophobicContact CG1-CG2 3.81Å; I585-T591 HydrophobicContact CG2-CG2 4.45Å
586F45.1Very low41.8Very low95 Ų9558.7 Ų58.742%0.41733%0.332SS..  trans-70.9131.6155.4-78.2-78.8000109.8S582 H588 S589 I595S582-F586 WeakPolarHBondContact O-CE2 3.22Å; F586-H588 AromaticContact CD1-CE1 3.88Å; F586-H588 PolarHBondContact O-N 3.17Å; F586-S589 WeakPolarHBondContact O-CB 3.28Å; F586-S589 PolarHBondContact O-N 3.26Å; F586-S589 PolarHBondContact O-OG 3.16Å; F586-I595 HydrophobicContact CB-CG2 4.3Å; F586-I595 HydrophobicContact CD2-CG2 4.22Å; F586-I595 HydrophobicContact CG-CG2 4.29Å
587S41.5Very low41.2Very low42 Ų4258.9 Ų58.929%0.29433%0.333SS..THydrogen-bonded Turntrans-52.7-36.1-177-24.80000113.5Y553Y553-S587 WeakPolarHBondContact CE2-OG 3.41Å; Y553-S587 VanDerWaalsContact OH-CB 3.28Å; Y553-S587 WeakPolarHBondContact OH-CB 3.14Å; Y553-S587 PolarHBondContact OH-OG 3.46Å
588H44.7Very low40.8Very low81 Ų8161 Ų6138%0.37534%0.337SS..THydrogen-bonded Turntrans-89.7-0.2-177.765.5-84.2000113.6F586 I595 D599F586-H588 AromaticContact CD1-CE1 3.88Å; F586-H588 PolarHBondContact O-N 3.17Å; H588-I595 WeakPolarHBondContact CD2-CD1 3.21Å; H588-I595 VanDerWaalsContact NE2-CG2 3.3Å; H588-I595 WeakPolarHBondContact NE2-CG2 3.4Å; H588-I595 WeakPolarHBondContact O-CD1 3.24Å; H588-D599 IonicContact CE1-OD2 2.96Å; H588-D599 IonicContact NE2-OD1 2.71Å; H588-D599 IonicContact NE2-OD2 2.62Å
589S46.4Very low40.7Very low11 Ų1159.6 Ų59.68%0.07733%0.332CS..THydrogen-bonded Turntrans-87.7-25.817774.90000114.9F586 T591 C592 I595F586-S589 WeakPolarHBondContact O-CB 3.28Å; F586-S589 PolarHBondContact O-N 3.26Å; F586-S589 PolarHBondContact O-OG 3.16Å; S589-T591 PolarHBondContact O-N 2.9Å; S589-T591 WeakPolarHBondContact OG-CA 3.37Å; S589-T591 PolarHBondContact OG-N 3.44Å; S589-C592 WeakPolarHBondContact O-CB 3.31Å; S589-C592 PolarHBondContact O-N 2.87Å; S589-I595 VanDerWaalsContact CA-CD1 3.42Å; S589-I595 VanDerWaalsContact CB-CG1 3.41Å
590L49.4Very low40.3Very low46 Ų4657.2 Ų57.224%0.24132%0.32CS..THydrogen-bonded Turntrans46.243.9-165-55.6-179.4000111.1P487 F488 W546 Y549 C592P487-L590 HydrophobicContact CG-CB 4.16Å; P487-L590 HydrophobicContact CG-CD2 4.35Å; F488-L590 HydrophobicContact CD2-CD1 4.25Å; F488-L590 HydrophobicContact CE2-CD1 3.64Å; W546-L590 HydrophobicContact CH2-CD1 4.07Å; W546-L590 HydrophobicContact CH2-CD2 4.04Å; W546-L590 HydrophobicContact CZ3-CD2 4.26Å; Y549-L590 HydrophobicContact CE1-CD2 3.88Å; Y549-L590 WeakPolarHBondContact OH-CA 3.35Å; L590-C592 PolarHBondContact O-N 3.46Å
591T46.3Very low40.5Very low21 Ų2157.2 Ų57.213%0.12932%0.317CS..THydrogen-bonded Turntrans57.214.2-178.7230000116.3L485 S486 Y549 Y584 I585 S589 G593L485-T591 VanDerWaalsContact C-OG1 3.28Å; L485-T591 HydrophobicContact CB-CG2 4.41Å; L485-T591 WeakPolarHBondContact O-CB 3.06Å; L485-T591 WeakPolarHBondContact O-CG2 3.2Å; L485-T591 PolarHBondContact O-OG1 2.85Å; S486-T591 WeakPolarHBondContact CA-OG1 3.29Å; S486-T591 WeakPolarHBondContact CB-OG1 3.46Å; Y549-T591 HydrophobicContact CE2-CG2 3.93Å; Y549-T591 VanDerWaalsContact CE2-OG1 3.24Å; Y549-T591 WeakPolarHBondContact CE2-OG1 3.41Å; Y584-T591 WeakPolarHBondContact O-CG2 3.49Å; I585-T591 HydrophobicContact CB-CG2 4.4Å; I585-T591 HydrophobicContact CD1-CG2 4.47Å; I585-T591 HydrophobicContact CG1-CG2 3.81Å; I585-T591 HydrophobicContact CG2-CG2 4.45Å; S589-T591 PolarHBondContact O-N 2.9Å; S589-T591 WeakPolarHBondContact OG-CA 3.37Å; S589-T591 PolarHBondContact OG-N 3.44Å; T591-G593 PolarHBondContact O-N 3.37Å
592C41.5Very low40.6Very low16 Ų1660.9 Ų60.911%0.10834%0.335CS..  trans-72.7110.4161.6-65.90000108.9S589 L590 Q594S589-C592 WeakPolarHBondContact O-CB 3.31Å; S589-C592 PolarHBondContact O-N 2.87Å; L590-C592 PolarHBondContact O-N 3.46Å; C592-Q594 PolarHBondContact O-N 2.85Å
593G39.4Very low40.7Very low39 Ų3964.2 Ų64.240%0.40235%0.348SS..THydrogen-bonded Turntrans-64.823.9175.200000115.4T591T591-G593 PolarHBondContact O-N 3.37Å
594Q36Very low40.9Very low53 Ų5367.1 Ų67.125%0.24835%0.347CS..THydrogen-bonded Turntrans-105.611.1-174-57.8-178.75.500111.7W420 C592 S596 L597 F598W420-Q594 VanDerWaalsContact CH2-NE2 3.3Å; C592-Q594 PolarHBondContact O-N 2.85Å; Q594-S596 VanDerWaalsContact C-N 3.31Å; Q594-S596 PolarHBondContact O-N 2.85Å; Q594-L597 CarbonylContact O-C 3.47Å; Q594-L597 WeakPolarHBondContact O-CA 3.15Å; Q594-L597 WeakPolarHBondContact O-CB 3.47Å; Q594-L597 PolarHBondContact O-N 3.42Å; Q594-F598 PolarHBondContact O-N 3.49Å
595I33.5Very low41.1Very low13 Ų1367 Ų677%0.06735%0.35CS..Hα-helixtrans-81.1-9.5-174.1-78.4-112.5000113.7F586 H588 S589 L597 F598 D599 G600F586-I595 HydrophobicContact CB-CG2 4.3Å; F586-I595 HydrophobicContact CD2-CG2 4.22Å; F586-I595 HydrophobicContact CG-CG2 4.29Å; H588-I595 WeakPolarHBondContact CD2-CD1 3.21Å; H588-I595 VanDerWaalsContact NE2-CG2 3.3Å; H588-I595 WeakPolarHBondContact NE2-CG2 3.4Å; H588-I595 WeakPolarHBondContact O-CD1 3.24Å; S589-I595 VanDerWaalsContact CA-CD1 3.42Å; S589-I595 VanDerWaalsContact CB-CG1 3.41Å; I595-L597 PolarHBondContact O-N 3.2Å; I595-L597 VanDerWaalsContact O-N 3.08Å; I595-F598 HydrophobicContact CB-CB 4.45Å; I595-F598 HydrophobicContact CD1-CB 3.44Å; I595-F598 VanDerWaalsContact CD1-CB 3.44Å; I595-F598 HydrophobicContact CG1-CB 3.67Å; I595-F598 PolarHBondContact O-N 2.87Å; I595-D599 HydrophobicContact CG2-CB 3.89Å; I595-D599 WeakPolarHBondContact O-CA 3.28Å; I595-D599 WeakPolarHBondContact O-CB 3.33Å; I595-D599 PolarHBondContact O-N 2.91Å; I595-G600 PolarHBondContact O-N 2.79Å
596S33.4Very low41.5Very low117 Ų11768.9 Ų68.982%0.81837%0.365SS*.Hα-helixtrans-56.6-18.7153.7-42.90000113.3Q594Q594-S596 VanDerWaalsContact C-N 3.31Å; Q594-S596 PolarHBondContact O-N 2.85Å
597L34.5Very low41.6Very low129 Ų12966.8 Ų66.868%0.67536%0.362SS*.Hα-helixtrans-114.1-16.9171.8-70.3166.3000113.8Q594 I595 G600 W601Q594-L597 CarbonylContact O-C 3.47Å; Q594-L597 WeakPolarHBondContact O-CA 3.15Å; Q594-L597 WeakPolarHBondContact O-CB 3.47Å; Q594-L597 PolarHBondContact O-N 3.42Å; I595-L597 PolarHBondContact O-N 3.2Å; I595-L597 VanDerWaalsContact O-N 3.08Å; L597-G600 VanDerWaalsContact C-CA 3.46Å; L597-G600 CarbonylContact O-C 3.6Å; L597-G600 VanDerWaalsContact O-C 3.23Å; L597-G600 WeakPolarHBondContact O-CA 3.26Å; L597-W601 PolarHBondContact O-N 3.38Å
598F35.8Very low42.2Very low116 Ų11666.7 Ų66.751%0.50936%0.358SS..Hα-helixtrans-102.6-31.5176.7-97.5-101.4000115.2Q594 I595 G600 W601 I602Q594-F598 PolarHBondContact O-N 3.49Å; I595-F598 HydrophobicContact CB-CB 4.45Å; I595-F598 HydrophobicContact CD1-CB 3.44Å; I595-F598 VanDerWaalsContact CD1-CB 3.44Å; I595-F598 HydrophobicContact CG1-CB 3.67Å; I595-F598 PolarHBondContact O-N 2.87Å; F598-G600 PolarHBondContact O-N 3.49Å; F598-W601 HydrophobicContact CD1-CB 4.18Å; F598-W601 AromaticContact CD1-CD1 3.5Å; F598-W601 VanDerWaalsContact CD1-CD1 3.5Å; F598-W601 HydrophobicContact CD1-CG 4.06Å; F598-W601 HydrophobicContact CG-CB 4.47Å; F598-W601 VanDerWaalsContact O-CA 3.23Å; F598-W601 WeakPolarHBondContact O-CA 3.4Å; F598-W601 VanDerWaalsContact O-CB 3.26Å; F598-W601 WeakPolarHBondContact O-CB 3.25Å; F598-W601 VanDerWaalsContact O-CG 3.28Å; F598-W601 PolarHBondContact O-N 3.35Å; F598-I602 PolarHBondContact O-N 3.14Å
599D38.1Very low42.7Very low61 Ų6167.5 Ų67.533%0.32636%0.363SS..Hα-helixtrans-65.2-28.3151.1-138.2-10.3000108.6H588 I595 W601 I602 L603H588-D599 IonicContact CE1-OD2 2.96Å; H588-D599 IonicContact NE2-OD1 2.71Å; H588-D599 IonicContact NE2-OD2 2.62Å; I595-D599 HydrophobicContact CG2-CB 3.89Å; I595-D599 WeakPolarHBondContact O-CA 3.28Å; I595-D599 WeakPolarHBondContact O-CB 3.33Å; I595-D599 PolarHBondContact O-N 2.91Å; D599-W601 VanDerWaalsContact C-N 3.29Å; D599-W601 PolarHBondContact O-N 2.83Å; D599-I602 CarbonylContact O-C 3.51Å; D599-I602 PolarHBondContact O-N 3.5Å; D599-L603 PolarHBondContact O-N 3.09Å
600G34.2Very low43.1Very low20 Ų2072.3 Ų72.321%0.20639%0.386CS..Hα-helixtrans-44.5-45.515200000113.4I595 L597 F598 I602 L603 W604I595-G600 PolarHBondContact O-N 2.79Å; L597-G600 VanDerWaalsContact C-CA 3.46Å; L597-G600 CarbonylContact O-C 3.6Å; L597-G600 VanDerWaalsContact O-C 3.23Å; L597-G600 WeakPolarHBondContact O-CA 3.26Å; F598-G600 PolarHBondContact O-N 3.49Å; G600-I602 PolarHBondContact O-N 3.42Å; G600-L603 CarbonylContact O-C 3.5Å; G600-L603 PolarHBondContact O-N 2.87Å; G600-W604 VanDerWaalsContact O-CA 3.28Å; G600-W604 WeakPolarHBondContact O-CA 3.43Å; G600-W604 WeakPolarHBondContact O-CB 3.46Å; G600-W604 PolarHBondContact O-N 3.11Å
601W41.4Very low43.3Very low115 Ų11573.7 Ų73.744%0.43639%0.391SS..Hα-helixtrans-65.4-26.4172.8110-97.5000113.9L597 F598 D599 W604 L605L597-W601 PolarHBondContact O-N 3.38Å; F598-W601 HydrophobicContact CD1-CB 4.18Å; F598-W601 AromaticContact CD1-CD1 3.5Å; F598-W601 VanDerWaalsContact CD1-CD1 3.5Å; F598-W601 HydrophobicContact CD1-CG 4.06Å; F598-W601 HydrophobicContact CG-CB 4.47Å; F598-W601 VanDerWaalsContact O-CA 3.23Å; F598-W601 WeakPolarHBondContact O-CA 3.4Å; F598-W601 VanDerWaalsContact O-CB 3.26Å; F598-W601 WeakPolarHBondContact O-CB 3.25Å; F598-W601 VanDerWaalsContact O-CG 3.28Å; F598-W601 PolarHBondContact O-N 3.35Å; D599-W601 VanDerWaalsContact C-N 3.29Å; D599-W601 PolarHBondContact O-N 2.83Å; W601-W604 CarbonylContact O-C 3.06Å; W601-L605 HydrophobicContact CE3-CB 3.6Å; W601-L605 HydrophobicContact CE3-CD1 4.11Å; W601-L605 HydrophobicContact CE3-CD2 4.39Å; W601-L605 HydrophobicContact CE3-CG 4.21Å; W601-L605 HydrophobicContact CH2-CD2 4.34Å; W601-L605 HydrophobicContact CZ3-CB 3.81Å; W601-L605 HydrophobicContact CZ3-CD1 3.83Å; W601-L605 HydrophobicContact CZ3-CD2 3.69Å; W601-L605 HydrophobicContact CZ3-CG 3.94Å; W601-L605 VanDerWaalsContact O-CA 3.3Å; W601-L605 WeakPolarHBondContact O-CA 3.18Å; W601-L605 WeakPolarHBondContact O-CB 3.48Å; W601-L605 PolarHBondContact O-N 3.08Å
602I44.4Very low44.2Very low81 Ų8177 Ų7742%0.41541%0.405SS..Hα-helixtrans-82.7-29.3171.4-62.7-177.4000111F598 D599 G600 S606F598-I602 PolarHBondContact O-N 3.14Å; D599-I602 CarbonylContact O-C 3.51Å; D599-I602 PolarHBondContact O-N 3.5Å; G600-I602 PolarHBondContact O-N 3.42Å; I602-S606 WeakPolarHBondContact O-CA 3.42Å; I602-S606 WeakPolarHBondContact O-CB 3.27Å; I602-S606 PolarHBondContact O-N 3.46Å; I602-S606 PolarHBondContact O-OG 3.27Å
603L44.1Very low45.3Very low122 Ų12280.3 Ų80.364%0.63942%0.42SS*.Hα-helixtrans-82.1-13.6169.1-72.7169.8000113.8D599 G600 S606 S607D599-L603 PolarHBondContact O-N 3.09Å; G600-L603 CarbonylContact O-C 3.5Å; G600-L603 PolarHBondContact O-N 2.87Å; L603-S606 WeakPolarHBondContact CA-OG 3.16Å; L603-S607 WeakPolarHBondContact O-CA 3.35Å; L603-S607 WeakPolarHBondContact O-CB 3.47Å; L603-S607 PolarHBondContact O-N 3Å
604W43.3Very low45.8Very low149 Ų14982.1 Ų82.156%0.56442%0.424SS*.Hα-helixtrans-110.9-12.4178.7173.297000111.4G600 W601 S607 L608G600-W604 VanDerWaalsContact O-CA 3.28Å; G600-W604 WeakPolarHBondContact O-CA 3.43Å; G600-W604 WeakPolarHBondContact O-CB 3.46Å; G600-W604 PolarHBondContact O-N 3.11Å; W601-W604 CarbonylContact O-C 3.06Å; W604-S607 CarbonylContact O-C 3.58Å; W604-L608 VanDerWaalsContact C-N 3.31Å; W604-L608 HydrophobicContact CD2-CD1 3.97Å; W604-L608 HydrophobicContact CD2-CG 4.15Å; W604-L608 HydrophobicContact CE3-CD1 4.01Å; W604-L608 HydrophobicContact CE3-CG 4.49Å; W604-L608 HydrophobicContact CH2-CD1 3.49Å; W604-L608 VanDerWaalsContact CH2-CD1 3.49Å; W604-L608 HydrophobicContact CZ2-CD1 3.42Å; W604-L608 VanDerWaalsContact CZ2-CD1 3.42Å; W604-L608 HydrophobicContact CZ2-CG 4.28Å; W604-L608 HydrophobicContact CZ3-CD1 3.78Å; W604-L608 VanDerWaalsContact O-CA 3.26Å; W604-L608 WeakPolarHBondContact O-CA 3.45Å; W604-L608 WeakPolarHBondContact O-CB 3.09Å; W604-L608 WeakPolarHBondContact O-CG 3.41Å; W604-L608 PolarHBondContact O-N 2.95Å
605L48Very low46.9Very low69 Ų6983.9 Ų83.936%0.36143%0.431SS..Hα-helixtrans-106.4-5.4159.4-159.8120.1000111.9W601 M609W601-L605 HydrophobicContact CE3-CB 3.6Å; W601-L605 HydrophobicContact CE3-CD1 4.11Å; W601-L605 HydrophobicContact CE3-CD2 4.39Å; W601-L605 HydrophobicContact CE3-CG 4.21Å; W601-L605 HydrophobicContact CH2-CD2 4.34Å; W601-L605 HydrophobicContact CZ3-CB 3.81Å; W601-L605 HydrophobicContact CZ3-CD1 3.83Å; W601-L605 HydrophobicContact CZ3-CD2 3.69Å; W601-L605 HydrophobicContact CZ3-CG 3.94Å; W601-L605 VanDerWaalsContact O-CA 3.3Å; W601-L605 WeakPolarHBondContact O-CA 3.18Å; W601-L605 WeakPolarHBondContact O-CB 3.48Å; W601-L605 PolarHBondContact O-N 3.08Å; L605-M609 HydrophobicContact CD2-CG 3.97Å; L605-M609 HydrophobicContact CG-CG 4.32Å; L605-M609 WeakPolarHBondContact O-CA 3.36Å; L605-M609 WeakPolarHBondContact O-CB 3.47Å; L605-M609 WeakPolarHBondContact O-CG 3.29Å; L605-M609 PolarHBondContact O-N 3.46Å
606S50.8Low48.2Very low51 Ų5189.7 Ų89.736%0.35746%0.456SS..Hα-helixtrans-89.7-23.5147.269.10000112.1I602 L603 M610I602-S606 WeakPolarHBondContact O-CA 3.42Å; I602-S606 WeakPolarHBondContact O-CB 3.27Å; I602-S606 PolarHBondContact O-N 3.46Å; I602-S606 PolarHBondContact O-OG 3.27Å; L603-S606 WeakPolarHBondContact CA-OG 3.16Å; S606-M610 WeakPolarHBondContact O-CA 3.34Å; S606-M610 WeakPolarHBondContact O-CB 3.49Å; S606-M610 WeakPolarHBondContact O-CG 3.27Å; S606-M610 PolarHBondContact O-N 3.49Å
607S47.5Very low49.2Very low51 Ų5187.1 Ų87.136%0.35744%0.438SS..Hα-helixtrans-85-14.7162.2-1730000112.8L603 W604 Q611L603-S607 WeakPolarHBondContact O-CA 3.35Å; L603-S607 WeakPolarHBondContact O-CB 3.47Å; L603-S607 PolarHBondContact O-N 3Å; W604-S607 CarbonylContact O-C 3.58Å; S607-Q611 VanDerWaalsContact O-CA 3.31Å; S607-Q611 WeakPolarHBondContact O-CA 3.39Å; S607-Q611 WeakPolarHBondContact O-CB 3.47Å; S607-Q611 WeakPolarHBondContact O-CG 3.42Å; S607-Q611 PolarHBondContact O-N 2.81Å; S607-Q611 PolarHBondContact O-NE2 2.93Å; S607-Q611 PolarHBondContact OG-NE2 2.87Å
608L52.8Low49.9Very low40 Ų4084.8 Ų84.821%0.20943%0.429CS..Hα-helixtrans-94.6-23.6161.6-76.6-175.9000112.3W604 Q611 Q612W604-L608 VanDerWaalsContact C-N 3.31Å; W604-L608 HydrophobicContact CD2-CD1 3.97Å; W604-L608 HydrophobicContact CD2-CG 4.15Å; W604-L608 HydrophobicContact CE3-CD1 4.01Å; W604-L608 HydrophobicContact CE3-CG 4.49Å; W604-L608 HydrophobicContact CH2-CD1 3.49Å; W604-L608 VanDerWaalsContact CH2-CD1 3.49Å; W604-L608 HydrophobicContact CZ2-CD1 3.42Å; W604-L608 VanDerWaalsContact CZ2-CD1 3.42Å; W604-L608 HydrophobicContact CZ2-CG 4.28Å; W604-L608 HydrophobicContact CZ3-CD1 3.78Å; W604-L608 VanDerWaalsContact O-CA 3.26Å; W604-L608 WeakPolarHBondContact O-CA 3.45Å; W604-L608 WeakPolarHBondContact O-CB 3.09Å; W604-L608 WeakPolarHBondContact O-CG 3.41Å; W604-L608 PolarHBondContact O-N 2.95Å; L608-Q611 HydrophobicContact CD2-CB 4.22Å; L608-Q612 WeakPolarHBondContact O-CA 3.1Å; L608-Q612 WeakPolarHBondContact O-CB 3.43Å; L608-Q612 WeakPolarHBondContact O-CG 3.49Å; L608-Q612 PolarHBondContact O-N 3.5Å
609M57.1Low50.6Low98 Ų9885 Ų8548%0.48343%0.429SS..Hα-helixtrans-72.9-43.1162.2-74-92.377.800109.3L605 Q612 I613L605-M609 HydrophobicContact CD2-CG 3.97Å; L605-M609 HydrophobicContact CG-CG 4.32Å; L605-M609 WeakPolarHBondContact O-CA 3.36Å; L605-M609 WeakPolarHBondContact O-CB 3.47Å; L605-M609 WeakPolarHBondContact O-CG 3.29Å; L605-M609 PolarHBondContact O-N 3.46Å; M609-Q612 HydrophobicContact CE-CB 4.15Å; M609-Q612 CarbonylContact O-C 3.57Å; M609-Q612 PolarHBondContact O-N 3.25Å; M609-Q612 VanDerWaalsContact O-N 3.15Å; M609-I613 HydrophobicContact CB-CD1 4.36Å; M609-I613 WeakPolarHBondContact O-CA 3.36Å; M609-I613 WeakPolarHBondContact O-CB 3.46Å; M609-I613 WeakPolarHBondContact O-CD1 3.45Å; M609-I613 WeakPolarHBondContact O-CG1 3.42Å; M609-I613 PolarHBondContact O-N 3.33Å
610M54.5Low51.6Low111 Ų11184.6 Ų84.655%0.54743%0.429SS..Hα-helixtrans-68-40.9171-69.4-68.1-76.100111.5S606 Q612 I613 T614S606-M610 WeakPolarHBondContact O-CA 3.34Å; S606-M610 WeakPolarHBondContact O-CB 3.49Å; S606-M610 WeakPolarHBondContact O-CG 3.27Å; S606-M610 PolarHBondContact O-N 3.49Å; M610-Q612 VanDerWaalsContact C-N 3.29Å; M610-Q612 PolarHBondContact O-N 2.86Å; M610-I613 CarbonylContact O-C 3.47Å; M610-I613 PolarHBondContact O-N 3.37Å; M610-T614 WeakPolarHBondContact O-CA 3.18Å; M610-T614 WeakPolarHBondContact O-CB 3.2Å; M610-T614 PolarHBondContact O-N 2.8Å; M610-T614 PolarHBondContact O-OG1 3.11Å
611Q52.8Low52Low75 Ų7588.8 Ų88.835%0.3545%0.446SS..Hα-helixtrans-69.8-21.7169-74.2169.653.400112.5S607 L608 K615S607-Q611 VanDerWaalsContact O-CA 3.31Å; S607-Q611 WeakPolarHBondContact O-CA 3.39Å; S607-Q611 WeakPolarHBondContact O-CB 3.47Å; S607-Q611 WeakPolarHBondContact O-CG 3.42Å; S607-Q611 PolarHBondContact O-N 2.81Å; S607-Q611 PolarHBondContact O-NE2 2.93Å; S607-Q611 PolarHBondContact OG-NE2 2.87Å; L608-Q611 HydrophobicContact CD2-CB 4.22Å; Q611-K615 HydrophobicContact CB-CD 4.34Å; Q611-K615 VanDerWaalsContact O-CA 3.26Å; Q611-K615 WeakPolarHBondContact O-CA 3.34Å; Q611-K615 WeakPolarHBondContact O-CB 3.28Å; Q611-K615 WeakPolarHBondContact O-CD 3.03Å; Q611-K615 WeakPolarHBondContact O-CG 3.22Å; Q611-K615 PolarHBondContact O-N 3.01Å
612Q65.7Low51.9Low92 Ų9285.6 Ų85.643%0.4344%0.438SS..Hα-helixtrans-87.2-19.8172.2-70-90.136.100111.6L608 M609 M610 K615 F616L608-Q612 WeakPolarHBondContact O-CA 3.1Å; L608-Q612 WeakPolarHBondContact O-CB 3.43Å; L608-Q612 WeakPolarHBondContact O-CG 3.49Å; L608-Q612 PolarHBondContact O-N 3.5Å; M609-Q612 HydrophobicContact CE-CB 4.15Å; M609-Q612 CarbonylContact O-C 3.57Å; M609-Q612 PolarHBondContact O-N 3.25Å; M609-Q612 VanDerWaalsContact O-N 3.15Å; M610-Q612 VanDerWaalsContact C-N 3.29Å; M610-Q612 PolarHBondContact O-N 2.86Å; Q612-K615 CarbonylContact O-C 3.55Å; Q612-F616 VanDerWaalsContact O-CA 3.3Å; Q612-F616 WeakPolarHBondContact O-CA 3.19Å; Q612-F616 WeakPolarHBondContact O-CB 3.39Å; Q612-F616 PolarHBondContact O-N 2.98Å
613I63.6Low52Low84 Ų8488 Ų8843%0.43144%0.443SS..Hα-helixtrans-84.2-40.2172.6-73.1161.7000108.1M609 M610 F616 S617M609-I613 HydrophobicContact CB-CD1 4.36Å; M609-I613 WeakPolarHBondContact O-CA 3.36Å; M609-I613 WeakPolarHBondContact O-CB 3.46Å; M609-I613 WeakPolarHBondContact O-CD1 3.45Å; M609-I613 WeakPolarHBondContact O-CG1 3.42Å; M609-I613 PolarHBondContact O-N 3.33Å; M610-I613 CarbonylContact O-C 3.47Å; M610-I613 PolarHBondContact O-N 3.37Å; I613-F616 CarbonylContact O-C 3.42Å; I613-F616 PolarHBondContact O-N 2.78Å; I613-S617 VanDerWaalsContact O-CB 3.29Å; I613-S617 WeakPolarHBondContact O-CB 3.47Å; I613-S617 PolarHBondContact O-N 3.09Å; I613-S617 PolarHBondContact O-OG 3.35Å
614T50Low52.2Low77 Ų7787.4 Ų87.447%0.47244%0.439SS..Hα-helixtrans-72.3-39.2167.3-550000110.9M610 F616 V618M610-T614 WeakPolarHBondContact O-CA 3.18Å; M610-T614 WeakPolarHBondContact O-CB 3.2Å; M610-T614 PolarHBondContact O-N 2.8Å; M610-T614 PolarHBondContact O-OG1 3.11Å; T614-F616 PolarHBondContact O-N 3.37Å; T614-V618 HydrophobicContact CG2-CG2 4.38Å; T614-V618 WeakPolarHBondContact O-CA 3.42Å; T614-V618 WeakPolarHBondContact O-CB 3.39Å; T614-V618 WeakPolarHBondContact O-CG2 3.3Å; T614-V618 PolarHBondContact O-N 3.07Å
615K58.4Low52.1Low90 Ų9085.1 Ų85.139%0.39144%0.437SS..Hα-helixtrans-74.2-9.6166.8-65.7159.1-165.4161.40111.9Q611 Q612 K619Q611-K615 HydrophobicContact CB-CD 4.34Å; Q611-K615 VanDerWaalsContact O-CA 3.26Å; Q611-K615 WeakPolarHBondContact O-CA 3.34Å; Q611-K615 WeakPolarHBondContact O-CB 3.28Å; Q611-K615 WeakPolarHBondContact O-CD 3.03Å; Q611-K615 WeakPolarHBondContact O-CG 3.22Å; Q611-K615 PolarHBondContact O-N 3.01Å; Q612-K615 CarbonylContact O-C 3.55Å; K615-K619 WeakPolarHBondContact O-CA 3.4Å; K615-K619 WeakPolarHBondContact O-CB 3.46Å; K615-K619 VanDerWaalsContact O-CD 3.27Å; K615-K619 WeakPolarHBondContact O-CD 3.22Å; K615-K619 WeakPolarHBondContact O-CG 3.48Å; K615-K619 PolarHBondContact O-N 3.42Å
616F62.1Low51.7Low136 Ų13686.5 Ų86.560%0.59644%0.441SS*.Hα-helixtrans-97.9-26.6170.2178.5-96.4000111.8Q612 I613 T614 K619 V620Q612-F616 VanDerWaalsContact O-CA 3.3Å; Q612-F616 WeakPolarHBondContact O-CA 3.19Å; Q612-F616 WeakPolarHBondContact O-CB 3.39Å; Q612-F616 PolarHBondContact O-N 2.98Å; I613-F616 CarbonylContact O-C 3.42Å; I613-F616 PolarHBondContact O-N 2.78Å; T614-F616 PolarHBondContact O-N 3.37Å; F616-K619 CarbonylContact O-C 3.56Å; F616-V620 HydrophobicContact CD1-CG2 4.06Å; F616-V620 HydrophobicContact CD2-CG2 4.47Å; F616-V620 HydrophobicContact CE1-CG2 3.77Å; F616-V620 HydrophobicContact CE2-CG2 4.21Å; F616-V620 HydrophobicContact CG-CG2 4.4Å; F616-V620 HydrophobicContact CZ-CG2 3.85Å; F616-V620 WeakPolarHBondContact O-CA 3.29Å; F616-V620 WeakPolarHBondContact O-CB 3.4Å; F616-V620 WeakPolarHBondContact O-CG2 3.13Å; F616-V620 PolarHBondContact O-N 3.23Å
617S53.4Low51.5Low63 Ų6390.5 Ų90.544%0.44145%0.452SS..Hα-helixtrans-72.7-44.3165.4-64.70000108.7I613 V620 L621I613-S617 VanDerWaalsContact O-CB 3.29Å; I613-S617 WeakPolarHBondContact O-CB 3.47Å; I613-S617 PolarHBondContact O-N 3.09Å; I613-S617 PolarHBondContact O-OG 3.35Å; S617-V620 CarbonylContact O-C 3.57Å; S617-V620 PolarHBondContact O-N 2.72Å; S617-L621 WeakPolarHBondContact O-CB 3.25Å; S617-L621 WeakPolarHBondContact O-CD1 3.41Å; S617-L621 PolarHBondContact O-N 3.41Å
618V50.8Low51.1Low80 Ų8098.1 Ų98.149%0.48547%0.474SS..Hα-helixtrans-66.8-41.6168.41750000110.4T614 V620 L621 D622T614-V618 HydrophobicContact CG2-CG2 4.38Å; T614-V618 WeakPolarHBondContact O-CA 3.42Å; T614-V618 WeakPolarHBondContact O-CB 3.39Å; T614-V618 WeakPolarHBondContact O-CG2 3.3Å; T614-V618 PolarHBondContact O-N 3.07Å; V618-V620 PolarHBondContact O-N 3.5Å; V618-L621 CarbonylContact O-C 3.56Å; V618-L621 PolarHBondContact O-N 3.38Å; V618-D622 VanDerWaalsContact O-CA 3.29Å; V618-D622 WeakPolarHBondContact O-CA 3.42Å; V618-D622 WeakPolarHBondContact O-CB 3.31Å; V618-D622 PolarHBondContact O-N 2.76Å
619K49.1Very low49.9Very low119 Ų119101.6 Ų101.652%0.51749%0.492SS..Hα-helixtrans-79.415.3166.1-65.4167.2-179174.50114.1K615 F616 Y623K615-K619 WeakPolarHBondContact O-CA 3.4Å; K615-K619 WeakPolarHBondContact O-CB 3.46Å; K615-K619 VanDerWaalsContact O-CD 3.27Å; K615-K619 WeakPolarHBondContact O-CD 3.22Å; K615-K619 WeakPolarHBondContact O-CG 3.48Å; K615-K619 PolarHBondContact O-N 3.42Å; F616-K619 CarbonylContact O-C 3.56Å; K619-Y623 WeakPolarHBondContact O-CB 3.37Å; K619-Y623 PolarHBondContact O-N 3.02Å; K619-Y623 VanDerWaalsContact O-N 3.08Å
620V59Low48.5Very low54 Ų54105.4 Ų105.433%0.32751%0.506SS..Hα-helixtrans-107.8-42.4163.9156.80000107.2F616 S617 V618 D622 Y623 I624F616-V620 HydrophobicContact CD1-CG2 4.06Å; F616-V620 HydrophobicContact CD2-CG2 4.47Å; F616-V620 HydrophobicContact CE1-CG2 3.77Å; F616-V620 HydrophobicContact CE2-CG2 4.21Å; F616-V620 HydrophobicContact CG-CG2 4.4Å; F616-V620 HydrophobicContact CZ-CG2 3.85Å; F616-V620 WeakPolarHBondContact O-CA 3.29Å; F616-V620 WeakPolarHBondContact O-CB 3.4Å; F616-V620 WeakPolarHBondContact O-CG2 3.13Å; F616-V620 PolarHBondContact O-N 3.23Å; S617-V620 CarbonylContact O-C 3.57Å; S617-V620 PolarHBondContact O-N 2.72Å; V618-V620 PolarHBondContact O-N 3.5Å; V620-D622 PolarHBondContact O-N 3.4Å; V620-Y623 PolarHBondContact O-N 3.08Å; V620-Y623 CarbonylContact O-C 3.53Å; V620-I624 HydrophobicContact CG1-CD1 4.24Å; V620-I624 WeakPolarHBondContact O-CB 3.5Å; V620-I624 VanDerWaalsContact O-CD1 3.28Å; V620-I624 WeakPolarHBondContact O-CD1 3.18Å; V620-I624 WeakPolarHBondContact O-CG1 3.47Å; V620-I624 PolarHBondContact O-N 3.07Å
621L43Very low47.1Very low107 Ų107105.5 Ų105.556%0.5652%0.516SS*.Hα-helixtrans-56.3-33.2159.1-9264000112.2S617 V618 I624 N625S617-L621 WeakPolarHBondContact O-CB 3.25Å; S617-L621 WeakPolarHBondContact O-CD1 3.41Å; S617-L621 PolarHBondContact O-N 3.41Å; V618-L621 CarbonylContact O-C 3.56Å; V618-L621 PolarHBondContact O-N 3.38Å; L621-I624 WeakPolarHBondContact O-CB 3.22Å; L621-N625 WeakPolarHBondContact O-CB 3.49Å; L621-N625 PolarHBondContact O-OD1 3.05Å; L621-N625 PolarHBondContact O-ND2 3.32Å; L621-N625 PolarHBondContact O-N 2.78Å; L621-N625 VanDerWaalsContact O-CB 3.27Å
622D40.4Very low46.1Very low48 Ų48109.6 Ų109.626%0.25754%0.539SS..Hα-helixtrans-107.2-1.8-176.6-159.665.1000111.8V618 V620 K626V618-D622 VanDerWaalsContact O-CA 3.29Å; V618-D622 WeakPolarHBondContact O-CA 3.42Å; V618-D622 WeakPolarHBondContact O-CB 3.31Å; V618-D622 PolarHBondContact O-N 2.76Å; V620-D622 PolarHBondContact O-N 3.4Å; D622-K626 WeakPolarHBondContact O-CA 3.25Å; D622-K626 PolarHBondContact OD2-NZ 3Å; D622-K626 IonicContact OD2-NZ 3.85Å; D622-K626 WeakPolarHBondContact OD2-CD 3.38Å; D622-K626 PolarHBondContact OD1-NZ 2.93Å; D622-K626 WeakPolarHBondContact OD1-CG 3.42Å; D622-K626 PolarHBondContact O-N 3.45Å; D622-K626 WeakPolarHBondContact O-CB 3.25Å; D622-K626 IonicContact OD1-NZ 2.86Å
623Y45.8Very low44.2Very low133 Ų133110.3 Ų110.352%0.52255%0.552SS.*Hα-helixtrans-89.9-20.8151.4-180-102.1000110.2K619 V620 K627K619-Y623 WeakPolarHBondContact O-CB 3.37Å; K619-Y623 PolarHBondContact O-N 3.02Å; K619-Y623 VanDerWaalsContact O-N 3.08Å; V620-Y623 PolarHBondContact O-N 3.08Å; V620-Y623 CarbonylContact O-C 3.53Å; Y623-K627 PolarHBondContact OH-NZ 3.27Å; Y623-K627 PolarHBondContact O-N 3.41Å; Y623-K627 WeakPolarHBondContact O-CB 3.5Å; Y623-K627 WeakPolarHBondContact O-CA 3.3Å; Y623-K627 HydrophobicContact CG-CB 4.42Å; Y623-K627 HydrophobicContact CE2-CD 4.07Å; Y623-K627 HydrophobicContact CE1-CD 3.77Å; Y623-K627 HydrophobicContact CD2-CB 4.3Å; Y623-K627 HydrophobicContact CD1-CD 4.26Å; Y623-K627 HydrophobicContact CE2-CG 4.47Å
624I47.7Very low42.3Very low108 Ų108112.3 Ų112.355%0.55457%0.568SS**Hα-helixtrans-70.3-51.8161.9-72.2160.6000108.3V620 L621V620-I624 HydrophobicContact CG1-CD1 4.24Å; V620-I624 WeakPolarHBondContact O-CB 3.5Å; V620-I624 VanDerWaalsContact O-CD1 3.28Å; V620-I624 WeakPolarHBondContact O-CD1 3.18Å; V620-I624 WeakPolarHBondContact O-CG1 3.47Å; V620-I624 PolarHBondContact O-N 3.07Å; L621-I624 WeakPolarHBondContact O-CB 3.22Å
625N41.1Very low40.9Very low101 Ų101114.2 Ų114.254%0.5458%0.583SS.*Hα-helixtrans-80.5-20.2-179-60.8-18.4000115.2L621 Y628L621-N625 WeakPolarHBondContact O-CB 3.49Å; L621-N625 PolarHBondContact O-OD1 3.05Å; L621-N625 PolarHBondContact O-ND2 3.32Å; L621-N625 PolarHBondContact O-N 2.78Å; L621-N625 VanDerWaalsContact O-CB 3.27Å; N625-Y628 VanDerWaalsContact O-CB 3.3Å; N625-Y628 WeakPolarHBondContact O-CB 3.45Å
626K39.5Very low39.2Very low99 Ų99121.3 Ų121.343%0.4361%0.607SS.*Hα-helixtrans-125.110.3174.8-55.3-169.3-174.9740116.6D622 Y628 I629D622-K626 WeakPolarHBondContact O-CA 3.25Å; D622-K626 PolarHBondContact OD2-NZ 3Å; D622-K626 IonicContact OD2-NZ 3.85Å; D622-K626 WeakPolarHBondContact OD2-CD 3.38Å; D622-K626 PolarHBondContact OD1-NZ 2.93Å; D622-K626 WeakPolarHBondContact OD1-CG 3.42Å; D622-K626 PolarHBondContact O-N 3.45Å; D622-K626 WeakPolarHBondContact O-CB 3.25Å; D622-K626 IonicContact OD1-NZ 2.86Å; K626-Y628 PolarHBondContact O-N 3.42Å; K626-I629 VanDerWaalsContact C-N 3.3Å; K626-I629 PolarHBondContact O-N 2.87Å; K626-I629 CarbonylContact O-C 3.33Å; K626-I629 HydrophobicContact CG-CG1 4.41Å; K626-I629 HydrophobicContact CG-CD1 4.44Å; K626-I629 HydrophobicContact CG-CB 4Å; K626-I629 HydrophobicContact CD-CB 4.39Å; K626-I629 HydrophobicContact CB-CB 4.02Å
627K48.1Very low37.3Very low135 Ų135122.2 Ų122.259%0.58762%0.617SS**THydrogen-bonded Turntrans-68.3-14.3143.6-164.8172.6-171167.50110.6Y623Y623-K627 PolarHBondContact OH-NZ 3.27Å; Y623-K627 PolarHBondContact O-N 3.41Å; Y623-K627 WeakPolarHBondContact O-CB 3.5Å; Y623-K627 WeakPolarHBondContact O-CA 3.3Å; Y623-K627 HydrophobicContact CG-CB 4.42Å; Y623-K627 HydrophobicContact CE2-CD 4.07Å; Y623-K627 HydrophobicContact CE1-CD 3.77Å; Y623-K627 HydrophobicContact CD2-CB 4.3Å; Y623-K627 HydrophobicContact CD1-CD 4.26Å; Y623-K627 HydrophobicContact CE2-CG 4.47Å
628Y38.9Very low35.9Very low210 Ų210124.1 Ų124.182%0.82463%0.631SS**THydrogen-bonded Turntrans-74.7-16.5158.8-99.2-83.6000115.3N625 K626N625-Y628 VanDerWaalsContact O-CB 3.3Å; N625-Y628 WeakPolarHBondContact O-CB 3.45Å; K626-Y628 PolarHBondContact O-N 3.42Å
629I27.2Very low34.6Very low113 Ų113125.1 Ų125.158%0.57964%0.642SS**SBendtrans-140.893.2-177.5-51.8-177000110.7K626K626-I629 VanDerWaalsContact C-N 3.3Å; K626-I629 PolarHBondContact O-N 2.87Å; K626-I629 CarbonylContact O-C 3.33Å; K626-I629 HydrophobicContact CG-CG1 4.41Å; K626-I629 HydrophobicContact CG-CD1 4.44Å; K626-I629 HydrophobicContact CG-CB 4Å; K626-I629 HydrophobicContact CD-CB 4.39Å; K626-I629 HydrophobicContact CB-CB 4.02Å
630K27.3Very low33.4Very low179 Ų179125.2 Ų125.278%0.77865%0.652SS**  trans-70.8169.2-176.5-54.2169.9-179171.70113.4
631C25.8Very low31.8Very low112 Ų112132.5 Ų132.576%0.75768%0.675SS**  trans101.6142.6139.8-73.80000123
632L31Very low31.2Very low162 Ų162133.6 Ų133.685%0.84868%0.682SS**  trans83.5152.5155.3-89.976.3000121.1
633P26.2Very low30.8Very low107 Ų107135.4 Ų135.470%0.69570%0.696SS**  trans-150.8-170.9-132.142.7-18000118.9
634V23.7Very low30Very low125 Ų125133.5 Ų133.576%0.75869%0.694SS**  trans50.2124.2140.3162.60000120.6
635C20.8Very low29.2Very low118 Ų118129.9 Ų129.980%0.79768%0.676SS**  72.4142.258.9-60.60000115
636R22.3Very low28.7Very low238 Ų238125.5 Ų125.590%0.89866%0.655SS**  cis-139.9176.617-83.3-177.1171.2129.8-6.1110.4
637L21.9Very low28.5Very low155 Ų155121.7 Ų121.781%0.81264%0.641SS**  cis10295.89.1-153.2-179.3000117.9
638S24.1Very low27.5Very low103 Ų103115.9 Ų115.972%0.7262%0.617SS**  trans-177.2142.8167.749.40000110.9
639S24Very low27Very low102 Ų102108 Ų10871%0.71359%0.591SS**  cis89.9136.331.574.80000114.4
640T23.8Very low27Very low120 Ų120102.6 Ų102.674%0.73656%0.563SS**  cis-170.6-167.611.62.90000112
641Y25.1Very low27.1Very low207 Ų20794.4 Ų94.481%0.81253%0.528SS*.  trans95.6154.5164.9-75.6-106.9000119.8
642N30.1Very low27.3Very low130 Ų13090 Ų9070%0.69550%0.496SS*.  cis-166.2-147.2-33.3-1477.3000112.4
643P32Very low27.2Very low87 Ų8782.8 Ų82.857%0.56546%0.458SS*.  -120.2-165.2-101.632.7-10.5000118.9
644L29.5Very low27.2Very low92 Ų9281.3 Ų81.348%0.48244%0.441SS..  trans98.3154157.4-48.4-174.4000119.1K506 R528K506-L644 PolarHBondContact NZ-O 2.93Å; K506-L644 VanDerWaalsContact NZ-O 3.13Å; R528-L644 VanDerWaalsContact NH2-CD2 3.32Å
645N32Very low27.5Very low32 Ų3278 Ų7817%0.17142%0.421CS..  cis-144.1159.7-2-142.624000115.5T521 E526 R528T521-N645 WeakPolarHBondContact CA-O 3.08Å; T521-N645 WeakPolarHBondContact CB-O 3.41Å; T521-N645 VanDerWaalsContact CG2-O 3.29Å; T521-N645 WeakPolarHBondContact CG2-O 3.25Å; E526-N645 WeakPolarHBondContact CA-ND2 2.96Å; E526-N645 PolarHBondContact O-ND2 3.41Å; E526-N645 VanDerWaalsContact O-ND2 3.09Å; R528-N645 WeakPolarHBondContact CD-OD1 3.3Å; R528-N645 VanDerWaalsContact CG-OD1 3.25Å; R528-N645 WeakPolarHBondContact CG-OD1 3.49Å; R528-N645 PolarHBondContact NE-OD1 2.85Å
646G30.5Very low27.7Very low9 Ų976.5 Ų76.59%0.09341%0.405CS..  trans-73.2169.6-153.700000121.7I522 S523I522-G646 CarbonylContact C-O 3.54Å; I522-G646 PolarHBondContact N-O 3.49Å; S523-G646 PolarHBondContact N-O 2.99Å; S523-G646 PolarHBondContact OG-O 3.34Å; S523-G646 VanDerWaalsContact OG-O 3.09Å
647S34.7Very low27.9Very low19 Ų1970.7 Ų70.713%0.13340%0.396CS..  trans135.4153.2172.651.90000112.9R494 S520 T521 I522 D529R494-S647 PolarHBondContact NH2-O 2.82Å; S520-S647 CarbonylContact C-O 3.16Å; S520-S647 CarbonylContact O-C 3.48Å; S520-S647 PolarHBondContact O-N 3.33Å; T521-S647 CarbonylContact C-O 3.44Å; T521-S647 WeakPolarHBondContact CA-O 3.5Å; T521-S647 PolarHBondContact N-O 3.41Å; I522-S647 VanDerWaalsContact CG1-C 3.42Å; I522-S647 WeakPolarHBondContact CG1-O 3.23Å; I522-S647 PolarHBondContact N-O 3.08Å; D529-S647 PolarHBondContact O-OG 2.97Å
648S26.8Very low28.1Very low14 Ų1468.6 Ų68.610%0.09839%0.386CS..  trans-157.3154.7179.4-59.60000118S520S520-S648 VanDerWaalsContact C-OG 3.31Å; S520-S648 VanDerWaalsContact CB-OG 3.28Å; S520-S648 WeakPolarHBondContact CB-OG 3.47Å; S520-S648 PolarHBondContact O-OG 3.32Å; S520-S648 VanDerWaalsContact O-OG 3.13Å; S520-S648 PolarHBondContact OG-OG 3.32Å
649T28.9Very low28Very low43 Ų4372.7 Ų72.726%0.26439%0.394SS..  trans-154.4160.4162.9-36.20000109.9Q476Q476-T649 VanDerWaalsContact CB-O 3.27Å; Q476-T649 WeakPolarHBondContact CB-O 3.2Å; Q476-T649 CarbonylContact O-C 3.51Å
650A27.4Very low28Very low1 Ų178.8 Ų78.81%0.00842%0.415CS..  trans-151.2146.3-172.200000115.1Y325 L478Y325-A650 HydrophobicContact CD1-CB 3.98Å; Y325-A650 HydrophobicContact CE1-CB 3.99Å; L478-A650 HydrophobicContact CB-CB 3.55Å; L478-A650 HydrophobicContact CD1-CB 4.19Å; L478-A650 HydrophobicContact CD2-CB 4.23Å; L478-A650 HydrophobicContact CG-CB 4.21Å
651I29.2Very low28.2Very low7 Ų776.7 Ų76.74%0.03640%0.399CS..EExtended strand (participates in β ladder)trans-147.5129-178.9-58.9-173.8000109.5Y326 Y465 W471 I477 L478 I479Y326-I651 HydrophobicContact CD2-CD1 4.45Å; Y326-I651 CarbonylContact O-C 3.04Å; Y326-I651 WeakPolarHBondContact O-CA 3.15Å; Y326-I651 WeakPolarHBondContact O-CG2 3.33Å; Y465-I651 HydrophobicContact CD1-CD1 4.16Å; Y465-I651 HydrophobicContact CE1-CD1 3.33Å; W471-I651 HydrophobicContact CH2-CD1 3.77Å; W471-I651 HydrophobicContact CZ3-CD1 4.3Å; I477-I651 HydrophobicContact CG1-CD1 4.2Å; I477-I651 HydrophobicContact CG2-CB 3.89Å; I477-I651 HydrophobicContact CG2-CD1 4.44Å; I477-I651 HydrophobicContact CG2-CG1 4.48Å; I477-I651 HydrophobicContact CG2-CG2 4.4Å; L478-I651 CarbonylContact C-O 3.39Å; L478-I651 PolarHBondContact N-O 3.44Å; I479-I651 PolarHBondContact N-O 2.83Å
652Y29.4Very low28.4Very low19 Ų1969.8 Ų69.88%0.07538%0.378CS..EExtended strand (participates in β ladder)trans-96.9153.7-171.6-58.5-104.4000112Y325 Y326 F327 M328 I480 F537Y325-Y652 AromaticContact CD1-CE2 3.9Å; Y325-Y652 HydrophobicContact CD1-CE2 3.9Å; Y325-Y652 HydrophobicContact CG-CE2 4.38Å; Y326-Y652 PolarHBondContact O-N 3.43Å; F327-Y652 HydrophobicContact CD1-CD1 4.23Å; F327-Y652 AromaticContact CD1-CD2 3.63Å; F327-Y652 HydrophobicContact CD1-CD2 3.63Å; F327-Y652 HydrophobicContact CD1-CE2 4.46Å; F327-Y652 AromaticContact CD1-CG 3.53Å; F327-Y652 HydrophobicContact CD1-CG 3.53Å; F327-Y652 HydrophobicContact CD2-CD2 4.41Å; F327-Y652 AromaticContact CE1-CD1 3.78Å; F327-Y652 HydrophobicContact CE1-CD1 3.78Å; F327-Y652 AromaticContact CE1-CD2 3.37Å; F327-Y652 HydrophobicContact CE1-CD2 3.37Å; F327-Y652 HydrophobicContact CE1-CE1 4.13Å; F327-Y652 AromaticContact CE1-CE2 3.77Å; F327-Y652 HydrophobicContact CE1-CE2 3.77Å; F327-Y652 AromaticContact CE1-CG 3.42Å; F327-Y652 HydrophobicContact CE1-CG 3.42Å; F327-Y652 VanDerWaalsContact CE1-CG 3.42Å; F327-Y652 HydrophobicContact CE2-CD2 4.17Å; F327-Y652 HydrophobicContact CE2-CE2 4.31Å; F327-Y652 HydrophobicContact CG-CD2 4.16Å; F327-Y652 HydrophobicContact CG-CG 4.39Å; F327-Y652 AromaticContact CZ-CD2 3.66Å; F327-Y652 HydrophobicContact CZ-CD2 3.66Å; F327-Y652 AromaticContact CZ-CE2 3.68Å; F327-Y652 HydrophobicContact CZ-CE2 3.68Å; F327-Y652 HydrophobicContact CZ-CG 4.19Å; M328-Y652 WeakPolarHBondContact CB-O 3.26Å; M328-Y652 PolarHBondContact N-O 3.05Å; I480-Y652 HydrophobicContact CB-CD1 4.47Å; I480-Y652 HydrophobicContact CD1-CD1 3.37Å; I480-Y652 HydrophobicContact CD1-CE1 3.25Å; I480-Y652 HydrophobicContact CD1-CG 4.4Å; I480-Y652 HydrophobicContact CG1-CD1 4.46Å; F537-Y652 VanDerWaalsContact CD1-OH 3.22Å; F537-Y652 WeakPolarHBondContact CD1-OH 3.37Å; F537-Y652 WeakPolarHBondContact CD2-OH 3.38Å; F537-Y652 WeakPolarHBondContact CG-OH 3.44Å
653V29.5Very low28.3Very low11 Ų1166.5 Ų66.57%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-133.3120172.6-1790000110.6M328 T330 L458 I479M328-V653 HydrophobicContact CB-CG2 4.36Å; M328-V653 CarbonylContact O-C 3.58Å; M328-V653 VanDerWaalsContact O-CA 3.28Å; M328-V653 WeakPolarHBondContact O-CA 3.15Å; T330-V653 HydrophobicContact CG2-CG1 3.59Å; T330-V653 WeakPolarHBondContact OG1-CG1 3.08Å; L458-V653 HydrophobicContact CD1-CG1 3.98Å; L458-V653 HydrophobicContact CD1-CG2 4.18Å; I479-V653 HydrophobicContact CG1-CG2 4.43Å; I479-V653 HydrophobicContact CG2-CB 3.96Å; I479-V653 HydrophobicContact CG2-CG2 3.83Å
654F25.3Very low28.1Very low76 Ų7665.3 Ų65.333%0.33335%0.348SS..EExtended strand (participates in β ladder)trans-93.2150.2169.2-69.6-78.4000111.7F327 M328 E329 T330 P482F327-F654 AromaticContact CD1-CE2 3.89Å; F327-F654 HydrophobicContact CD1-CE2 3.89Å; M328-F654 PolarHBondContact O-N 2.99Å; E329-F654 HydrophobicContact CG-CB 4.38Å; T330-F654 PolarHBondContact N-O 3.43Å; T330-F654 PolarHBondContact OG1-O 3.42Å; P482-F654 HydrophobicContact CG-CD1 3.82Å; P482-F654 HydrophobicContact CG-CE1 4Å
655T29.8Very low28Very low56 Ų5663.6 Ų63.634%0.34434%0.34SS..  trans-132.573.3178.238.30000109.6T330 L483 V657T330-T655 WeakPolarHBondContact OG1-CG2 3.39Å; L483-T655 VanDerWaalsContact CD1-O 3.26Å; L483-T655 WeakPolarHBondContact CD1-O 3.5Å; T655-V657 PolarHBondContact O-N 3.05Å
656D25.9Very low27.7Very low85 Ų8565.7 Ų65.746%0.45535%0.351SS..  trans-62120.6-169-76.829.4000113.4
657V26.3Very low27.5Very low117 Ų11769.8 Ų69.871%0.70937%0.369SS*.  trans-145.140.8165.8-159.30000109.7T655T655-V657 PolarHBondContact O-N 3.05Å
658D25.4Very low27Very low111 Ų11173.7 Ų73.759%0.59439%0.388SS*.  trans-134.821.9178.5-83.5-55.4000112.7L483 R552L483-D658 WeakPolarHBondContact CD2-OD2 3.28Å; R552-D658 IonicContact NH2-OD2 3.84Å
659E21.9Very low27Very low189 Ų18978.7 Ų78.788%0.88341%0.412SS*.  trans-96.9106.3155.7-78.1-157.6150.100109.9
660I25.2Very low26.8Very low229 Ų22981.9 Ų81.9100%1.17443%0.425SS*.  trans-136.40170.2-60.6-179.3000107.9

Retrieved 660 of 660 residues in 452.6 ms (Link to these results)

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