A0A3Q0KIP7_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KIP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 348 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
1M46.5Very low74.4Confident217 Ų21776 Ų76100%1.06941%0.405SS*.  0-54.50-83.5-172.5-8100112.3A3 H4 S5M1-A3 PolarHBondContact O-N 3.35Å; M1-H4 WeakPolarHBondContact O-CB 3.48Å; M1-H4 PolarHBondContact O-N 3.46Å; M1-S5 PolarHBondContact O-N 2.95Å
2L48.2Very low76.1Confident144 Ų14478.7 Ų78.775%0.75441%0.41SS*.Hα-helixtrans-54.1-46.1-179.7-70.5165.5000114.4H4 S5 E6L2-H4 PolarHBondContact O-N 3.49Å; L2-S5 PolarHBondContact O-N 2.71Å; L2-S5 PolarHBondContact O-OG 2.59Å; L2-E6 PolarHBondContact O-N 3.31Å
3A57.8Low77.4Confident32 Ų3284 Ų8426%0.26443%0.432SS..Hα-helixtrans-62.4-29.9177.700000113.5M1 F7 L298M1-A3 PolarHBondContact O-N 3.35Å; A3-F7 WeakPolarHBondContact O-CD2 3.39Å; A3-F7 PolarHBondContact O-N 3.17Å; A3-L298 HydrophobicContact CB-CD1 3.89Å; A3-L298 HydrophobicContact CB-CG 4Å
4H61.6Low78.5Confident85 Ų8580.2 Ų80.239%0.39441%0.411SS..Hα-helixtrans-73.2-38.5-179-172.970.9000111.9M1 L2 T8 N284M1-H4 WeakPolarHBondContact O-CB 3.48Å; M1-H4 PolarHBondContact O-N 3.46Å; L2-H4 PolarHBondContact O-N 3.49Å; H4-T8 WeakPolarHBondContact O-CB 3.25Å; H4-T8 PolarHBondContact O-N 3.34Å; H4-T8 VanDerWaalsContact O-N 3.08Å; H4-T8 PolarHBondContact O-OG1 2.94Å; H4-N284 PolarHBondContact ND1-OD1 3.1Å
5S69.8Low79.6Confident58 Ų5876 Ų7641%0.40639%0.392SS..Hα-helixtrans-64.4-4117546.70000111.6M1 L2 T8 D9M1-S5 PolarHBondContact O-N 2.95Å; L2-S5 PolarHBondContact O-N 2.71Å; L2-S5 PolarHBondContact O-OG 2.59Å; S5-T8 WeakPolarHBondContact O-CB 2.96Å; S5-T8 PolarHBondContact O-N 3.22Å; S5-D9 PolarHBondContact O-N 3.44Å
6E80.1Confident80.5Confident99 Ų9980 Ų8046%0.46341%0.405SS..Hα-helixtrans-65.9-44.8-179-70.5175.114300112.7L2 T8 D9 L10 L298L2-E6 PolarHBondContact O-N 3.31Å; E6-T8 VanDerWaalsContact C-N 3.29Å; E6-T8 PolarHBondContact O-N 2.96Å; E6-D9 PolarHBondContact O-N 2.92Å; E6-L10 VanDerWaalsContact O-CB 3.29Å; E6-L10 WeakPolarHBondContact O-CB 3.19Å; E6-L10 PolarHBondContact O-N 3.3Å; E6-L298 HydrophobicContact CB-CD2 4.16Å; E6-L298 WeakPolarHBondContact OE2-CD1 3.49Å; E6-L298 VanDerWaalsContact OE2-CD2 3.28Å; E6-L298 WeakPolarHBondContact OE2-CD2 3.27Å
7F89.6Confident81.2Confident2 Ų280.2 Ų80.21%0.00941%0.407CS..Hα-helixtrans-63.3-37.2173.3-80.7-65.9000112A3 D9 L10 Y11 L145 W297 L298 Y301A3-F7 WeakPolarHBondContact O-CD2 3.39Å; A3-F7 PolarHBondContact O-N 3.17Å; F7-D9 PolarHBondContact O-N 3.33Å; F7-L10 HydrophobicContact CD1-CD2 4.13Å; F7-L10 HydrophobicContact CE1-CD2 4.48Å; F7-L10 PolarHBondContact O-N 3.06Å; F7-Y11 HydrophobicContact CB-CD2 4.24Å; F7-Y11 HydrophobicContact CB-CE2 3.74Å; F7-Y11 HydrophobicContact CD1-CE1 4.1Å; F7-Y11 HydrophobicContact CD1-CE2 4.16Å; F7-Y11 AromaticContact CD1-CZ 3.62Å; F7-Y11 WeakPolarHBondContact CD1-OH 3.43Å; F7-Y11 HydrophobicContact CG-CE2 4.29Å; F7-Y11 WeakPolarHBondContact O-CB 3.44Å; F7-Y11 WeakPolarHBondContact O-CD2 3.45Å; F7-Y11 PolarHBondContact O-N 3.23Å; F7-L145 HydrophobicContact CE1-CD2 3.88Å; F7-L145 HydrophobicContact CE2-CD2 4.31Å; F7-L145 HydrophobicContact CZ-CD1 4.28Å; F7-L145 HydrophobicContact CZ-CD2 3.77Å; F7-W297 HydrophobicContact CE2-CB 3.71Å; F7-W297 HydrophobicContact CZ-CB 4.22Å; F7-L298 HydrophobicContact CD2-CD2 4.41Å; F7-L298 HydrophobicContact CE2-CD2 3.92Å; F7-L298 HydrophobicContact CE2-CG 4.41Å; F7-L298 HydrophobicContact CZ-CD2 4.26Å; F7-Y301 HydrophobicContact CE1-CD1 4.33Å; F7-Y301 HydrophobicContact CE1-CD2 4.05Å; F7-Y301 AromaticContact CE1-CG 3.8Å; F7-Y301 HydrophobicContact CE1-CG 3.8Å; F7-Y301 HydrophobicContact CZ-CG 4.18Å
8T87.6Confident81.9Confident53 Ų5375.7 Ų75.733%0.32539%0.385SS..Hα-helixtrans-62.4-45.5179.2-60.70000111.7H4 S5 E6 K12H4-T8 WeakPolarHBondContact O-CB 3.25Å; H4-T8 PolarHBondContact O-N 3.34Å; H4-T8 VanDerWaalsContact O-N 3.08Å; H4-T8 PolarHBondContact O-OG1 2.94Å; S5-T8 WeakPolarHBondContact O-CB 2.96Å; S5-T8 PolarHBondContact O-N 3.22Å; E6-T8 VanDerWaalsContact C-N 3.29Å; E6-T8 PolarHBondContact O-N 2.96Å; T8-K12 VanDerWaalsContact O-CB 3.27Å; T8-K12 WeakPolarHBondContact O-CB 3.27Å; T8-K12 PolarHBondContact O-N 2.91Å
9D91.2Very high82.5Confident103 Ų10374.5 Ų74.555%0.55138%0.377SS*.Hα-helixtrans-68.5-43.5178.8-72.4-29.1000111.6S5 E6 F7 Y11 K12 E13S5-D9 PolarHBondContact O-N 3.44Å; E6-D9 PolarHBondContact O-N 2.92Å; F7-D9 PolarHBondContact O-N 3.33Å; D9-Y11 PolarHBondContact O-N 3.33Å; D9-K12 WeakPolarHBondContact O-CB 3.49Å; D9-K12 PolarHBondContact O-N 3.14Å; D9-E13 PolarHBondContact O-N 2.96Å
10L92.2Very high82.9Confident39 Ų3976.8 Ų76.820%0.20439%0.386CS..Hα-helixtrans-55.2-52.1173.8176.371.8000111.7E6 F7 K12 E13 Q14 F93 Y301E6-L10 VanDerWaalsContact O-CB 3.29Å; E6-L10 WeakPolarHBondContact O-CB 3.19Å; E6-L10 PolarHBondContact O-N 3.3Å; F7-L10 HydrophobicContact CD1-CD2 4.13Å; F7-L10 HydrophobicContact CE1-CD2 4.48Å; F7-L10 PolarHBondContact O-N 3.06Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 3.32Å; L10-E13 PolarHBondContact O-N 2.95Å; L10-Q14 HydrophobicContact CD1-CG 4.45Å; L10-Q14 WeakPolarHBondContact O-CB 3.27Å; L10-Q14 WeakPolarHBondContact O-CG 3.34Å; L10-Q14 PolarHBondContact O-N 3.33Å; L10-F93 HydrophobicContact CD2-CE2 4.47Å; L10-Y301 HydrophobicContact CD2-CD1 4.36Å; L10-Y301 HydrophobicContact CD2-CE1 3.62Å; L10-Y301 HydrophobicContact CD2-CE2 3.91Å; L10-Y301 WeakPolarHBondContact CD2-OH 3.46Å
11Y94.3Very high83.3Confident4 Ų475.1 Ų75.12%0.01638%0.378CS..Hα-helixtrans-66.1-35.1-179-62.7-29.8000112.1F7 D9 S15 F93 E148 Y149 Y152F7-Y11 HydrophobicContact CB-CD2 4.24Å; F7-Y11 HydrophobicContact CB-CE2 3.74Å; F7-Y11 HydrophobicContact CD1-CE1 4.1Å; F7-Y11 HydrophobicContact CD1-CE2 4.16Å; F7-Y11 AromaticContact CD1-CZ 3.62Å; F7-Y11 WeakPolarHBondContact CD1-OH 3.43Å; F7-Y11 HydrophobicContact CG-CE2 4.29Å; F7-Y11 WeakPolarHBondContact O-CB 3.44Å; F7-Y11 WeakPolarHBondContact O-CD2 3.45Å; F7-Y11 PolarHBondContact O-N 3.23Å; D9-Y11 PolarHBondContact O-N 3.33Å; Y11-S15 WeakPolarHBondContact O-CA 3.23Å; Y11-S15 WeakPolarHBondContact O-CB 3.5Å; Y11-S15 PolarHBondContact O-N 3.2Å; Y11-F93 HydrophobicContact CD1-CE2 4.4Å; Y11-F93 AromaticContact CE1-CE2 3.64Å; Y11-F93 HydrophobicContact CE1-CE2 3.64Å; Y11-F93 AromaticContact CE1-CZ 3.98Å; Y11-F93 HydrophobicContact CE1-CZ 3.98Å; Y11-E148 HydrophobicContact CE2-CG 3.68Å; Y11-E148 PolarHBondContact OH-OE2 3.49Å; Y11-Y149 AromaticContact CD1-CD2 3.84Å; Y11-Y149 HydrophobicContact CD1-CD2 3.84Å; Y11-Y149 HydrophobicContact CE1-CD2 4.13Å; Y11-Y152 HydrophobicContact CD2-CD2 4.1Å; Y11-Y152 HydrophobicContact CD2-CG 4.45Å; Y11-Y152 HydrophobicContact CG-CD2 4.34Å; Y11-Y152 HydrophobicContact CG-CG 4.34Å; Y11-Y152 WeakPolarHBondContact O-CE1 3.41Å
12K94.2Very high85.4Confident108 Ų10866 Ų6647%0.4733%0.332SS..Hα-helixtrans-63.6-43.9176.5-174.4179.1-179.6-178.30111.9T8 D9 L10 K16 Y152T8-K12 VanDerWaalsContact O-CB 3.27Å; T8-K12 WeakPolarHBondContact O-CB 3.27Å; T8-K12 PolarHBondContact O-N 2.91Å; D9-K12 WeakPolarHBondContact O-CB 3.49Å; D9-K12 PolarHBondContact O-N 3.14Å; L10-K12 VanDerWaalsContact C-N 3.31Å; L10-K12 PolarHBondContact O-N 3.32Å; K12-K16 WeakPolarHBondContact O-CG 3.43Å; K12-K16 PolarHBondContact O-N 3.33Å; K12-Y152 WeakPolarHBondContact CA-OH 3.5Å; K12-Y152 WeakPolarHBondContact CB-OH 3.21Å
13E93Very high87.3Confident148 Ų14865.1 Ų65.169%0.69232%0.324SS*.Hα-helixtrans-65.1-51.2176.5-173.2-177.6167.200111.2D9 L10 S15 K16 L17D9-E13 PolarHBondContact O-N 2.96Å; L10-E13 PolarHBondContact O-N 2.95Å; E13-S15 VanDerWaalsContact C-N 3.27Å; E13-S15 PolarHBondContact O-N 3.46Å; E13-K16 PolarHBondContact O-N 3.11Å; E13-L17 PolarHBondContact O-N 3.44Å
14Q93.5Very high88.6Confident31 Ų3168.7 Ų68.715%0.14534%0.339CS..Hα-helixtrans-64.2-32.9-179.8-69.5-180-1200112.4L10 L17 F18 Y149L10-Q14 HydrophobicContact CD1-CG 4.45Å; L10-Q14 WeakPolarHBondContact O-CB 3.27Å; L10-Q14 WeakPolarHBondContact O-CG 3.34Å; L10-Q14 PolarHBondContact O-N 3.33Å; Q14-L17 PolarHBondContact O-N 3.16Å; Q14-F18 VanDerWaalsContact O-CB 3.25Å; Q14-F18 WeakPolarHBondContact O-CB 3.3Å; Q14-F18 PolarHBondContact O-N 2.88Å; Q14-Y149 HydrophobicContact CB-CE2 3.84Å
15S94.1Very high89Confident17 Ų1767.5 Ų67.512%0.11934%0.335CS..Hα-helixtrans-65.4-42175.4175.60000112.4Y11 E13 L17 F18 H19 L153Y11-S15 WeakPolarHBondContact O-CA 3.23Å; Y11-S15 WeakPolarHBondContact O-CB 3.5Å; Y11-S15 PolarHBondContact O-N 3.2Å; E13-S15 VanDerWaalsContact C-N 3.27Å; E13-S15 PolarHBondContact O-N 3.46Å; S15-L17 PolarHBondContact O-N 3.43Å; S15-F18 PolarHBondContact O-N 3.32Å; S15-H19 PolarHBondContact O-CD2 2.83Å; S15-H19 PolarHBondContact O-N 3.22Å; S15-H19 PolarHBondContact OG-CD2 3.4Å; S15-L153 VanDerWaalsContact CA-CD2 3.45Å
16K93.5Very high88.6Confident140 Ų14070.8 Ų70.861%0.60934%0.342SS*.Hα-helixtrans-59.5-47.9174.5-71.7173.9-179.4-178.20111.2K12 E13 H19 Q20K12-K16 WeakPolarHBondContact O-CG 3.43Å; K12-K16 PolarHBondContact O-N 3.33Å; E13-K16 PolarHBondContact O-N 3.11Å; K16-H19 PolarHBondContact O-N 2.87Å; K16-Q20 WeakPolarHBondContact O-CB 3.31Å; K16-Q20 PolarHBondContact O-N 2.88Å
17L92.3Very high87.6Confident83 Ų8368.3 Ų68.344%0.43533%0.332SS..Hα-helixtrans-63.3-45.5178.3-179.260.9000111.5E13 Q14 S15 H19 Q20 L21E13-L17 PolarHBondContact O-N 3.44Å; Q14-L17 PolarHBondContact O-N 3.16Å; S15-L17 PolarHBondContact O-N 3.43Å; L17-H19 PolarHBondContact O-N 2.86Å; L17-Q20 WeakPolarHBondContact O-CB 3.43Å; L17-Q20 PolarHBondContact O-N 3.17Å; L17-L21 HydrophobicContact CD1-CD1 4.09Å; L17-L21 HydrophobicContact CD1-CG 4.16Å; L17-L21 HydrophobicContact CG-CD1 4Å; L17-L21 HydrophobicContact CG-CG 4.46Å; L17-L21 WeakPolarHBondContact O-CG 3.45Å; L17-L21 PolarHBondContact O-N 3.37Å
18F94.5Very high86Confident0 Ų074 Ų740%036%0.361CS..Hα-helixtrans-54-53.1176.1171.3-88.7000111.1Q14 S15 Q20 L21 Y22 S90 L153 I155 L183Q14-F18 VanDerWaalsContact O-CB 3.25Å; Q14-F18 WeakPolarHBondContact O-CB 3.3Å; Q14-F18 PolarHBondContact O-N 2.88Å; S15-F18 PolarHBondContact O-N 3.32Å; F18-Q20 VanDerWaalsContact C-N 3.31Å; F18-Q20 PolarHBondContact O-N 3.17Å; F18-L21 PolarHBondContact O-N 3.21Å; F18-Y22 HydrophobicContact CE1-CD2 4.27Å; F18-Y22 HydrophobicContact CE1-CG 4.11Å; F18-Y22 HydrophobicContact CE2-CD2 4.37Å; F18-Y22 AromaticContact CZ-CD2 3.69Å; F18-Y22 HydrophobicContact CZ-CD2 3.69Å; F18-Y22 HydrophobicContact CZ-CE2 4.38Å; F18-Y22 AromaticContact CZ-CG 3.99Å; F18-Y22 HydrophobicContact CZ-CG 3.99Å; F18-Y22 WeakPolarHBondContact O-CB 3.47Å; F18-Y22 PolarHBondContact O-N 3.34Å; F18-S90 VanDerWaalsContact CD2-C 3.49Å; F18-S90 VanDerWaalsContact CD2-CB 3.4Å; F18-S90 WeakPolarHBondContact CD2-O 3.49Å; F18-S90 VanDerWaalsContact CE2-CB 3.44Å; F18-L153 HydrophobicContact CB-CD1 4.24Å; F18-L153 HydrophobicContact CB-CD2 3.78Å; F18-L153 HydrophobicContact CD1-CB 4.34Å; F18-L153 HydrophobicContact CD1-CD1 4.16Å; F18-L153 HydrophobicContact CD1-CD2 3.95Å; F18-L153 HydrophobicContact CD1-CG 4.39Å; F18-L153 HydrophobicContact CD2-CD1 3.51Å; F18-L153 HydrophobicContact CD2-CD2 4.49Å; F18-L153 HydrophobicContact CE1-CB 4.42Å; F18-L153 HydrophobicContact CE2-CD1 3.91Å; F18-L153 HydrophobicContact CG-CD1 3.69Å; F18-L153 HydrophobicContact CG-CD2 3.81Å; F18-L153 HydrophobicContact CG-CG 4.25Å; F18-L153 HydrophobicContact CZ-CD1 4.42Å; F18-I155 HydrophobicContact CE1-CD1 4.32Å; F18-I155 HydrophobicContact CE2-CD1 3.86Å; F18-I155 HydrophobicContact CZ-CD1 3.58Å; F18-I155 HydrophobicContact CZ-CG1 4.47Å; F18-L183 HydrophobicContact CE1-CD1 4.3Å
19H92.6Very high84.5Confident53 Ų5376.3 Ų76.325%0.24537%0.369CS..Hα-helixtrans-65.2-36-177.9-75.1-64000112S15 K16 L17 H23S15-H19 PolarHBondContact O-CD2 2.83Å; S15-H19 PolarHBondContact O-N 3.22Å; S15-H19 PolarHBondContact OG-CD2 3.4Å; K16-H19 PolarHBondContact O-N 2.87Å; L17-H19 PolarHBondContact O-N 2.86Å; H19-H23 WeakPolarHBondContact O-CB 3.44Å; H19-H23 PolarHBondContact O-CD2 3.47Å; H19-H23 PolarHBondContact O-N 2.88Å; H19-H23 VanDerWaalsContact O-N 3.1Å
20Q92Very high83.6Confident120 Ų12076.9 Ų76.956%0.56138%0.377SS*.Hα-helixtrans-60.8-47.4173.5-176.8178.9-5.500111.7K16 L17 F18 N24K16-Q20 WeakPolarHBondContact O-CB 3.31Å; K16-Q20 PolarHBondContact O-N 2.88Å; L17-Q20 WeakPolarHBondContact O-CB 3.43Å; L17-Q20 PolarHBondContact O-N 3.17Å; F18-Q20 VanDerWaalsContact C-N 3.31Å; F18-Q20 PolarHBondContact O-N 3.17Å; Q20-N24 VanDerWaalsContact O-CB 3.27Å; Q20-N24 WeakPolarHBondContact O-CB 3.19Å; Q20-N24 PolarHBondContact O-N 2.8Å; Q20-N24 PolarHBondContact O-ND2 3Å; Q20-N24 VanDerWaalsContact O-ND2 3.09Å
21L91.4Very high83.3Confident41 Ų4176.1 Ų76.122%0.21538%0.376CS..Hα-helixtrans-68.3-44.9179-66.2174.3000112L17 F18 H23 N24 N25 F26L17-L21 HydrophobicContact CD1-CD1 4.09Å; L17-L21 HydrophobicContact CD1-CG 4.16Å; L17-L21 HydrophobicContact CG-CD1 4Å; L17-L21 HydrophobicContact CG-CG 4.46Å; L17-L21 WeakPolarHBondContact O-CG 3.45Å; L17-L21 PolarHBondContact O-N 3.37Å; F18-L21 PolarHBondContact O-N 3.21Å; L21-H23 VanDerWaalsContact C-N 3.34Å; L21-H23 PolarHBondContact O-N 3.09Å; L21-N24 PolarHBondContact O-N 3.15Å; L21-N25 PolarHBondContact O-N 3.47Å; L21-N25 VanDerWaalsContact O-N 3.15Å; L21-F26 HydrophobicContact CD2-CB 4.18Å; L21-F26 HydrophobicContact CD2-CD1 4.18Å; L21-F26 PolarHBondContact O-N 3.39Å
22Y90.7Very high83.2Confident25 Ų2581.3 Ų81.310%0.09840%0.398CS..Hα-helixtrans-63.9-36.8-176.1-174.3-91.9000112.9F18 N83 R86 I87 S90 L183F18-Y22 HydrophobicContact CE1-CD2 4.27Å; F18-Y22 HydrophobicContact CE1-CG 4.11Å; F18-Y22 HydrophobicContact CE2-CD2 4.37Å; F18-Y22 AromaticContact CZ-CD2 3.69Å; F18-Y22 HydrophobicContact CZ-CD2 3.69Å; F18-Y22 HydrophobicContact CZ-CE2 4.38Å; F18-Y22 AromaticContact CZ-CG 3.99Å; F18-Y22 HydrophobicContact CZ-CG 3.99Å; F18-Y22 WeakPolarHBondContact O-CB 3.47Å; F18-Y22 PolarHBondContact O-N 3.34Å; Y22-N83 PolarHBondContact OH-OD1 2.89Å; Y22-R86 HydrophobicContact CD2-CB 4.07Å; Y22-R86 HydrophobicContact CE2-CB 3.79Å; Y22-R86 PolarHBondContact O-NH2 3.46Å; Y22-I87 HydrophobicContact CE2-CG1 3.87Å; Y22-S90 WeakPolarHBondContact CA-OG 3.33Å; Y22-S90 WeakPolarHBondContact CB-OG 3.45Å; Y22-S90 PolarHBondContact N-OG 3.43Å; Y22-S90 VanDerWaalsContact N-OG 3.17Å; Y22-L183 HydrophobicContact CD1-CD1 4.18Å; Y22-L183 HydrophobicContact CE1-CD1 3.81Å
23H87.3Confident83.1Confident126 Ų12677.6 Ų77.658%0.58338%0.384SS*.Hα-helixtrans-83.2-31.7178.3-71.2-58.1000113.3H19 L21 N25H19-H23 WeakPolarHBondContact O-CB 3.44Å; H19-H23 PolarHBondContact O-CD2 3.47Å; H19-H23 PolarHBondContact O-N 2.88Å; H19-H23 VanDerWaalsContact O-N 3.1Å; L21-H23 VanDerWaalsContact C-N 3.34Å; L21-H23 PolarHBondContact O-N 3.09Å; H23-N25 VanDerWaalsContact C-N 3.27Å; H23-N25 PolarHBondContact O-N 3Å
24N84.3Confident83.2Confident107 Ų10776.1 Ų76.157%0.57238%0.38SS*.Hα-helixtrans-81.6-5.4178.8-68.5-20.5000113.6Q20 L21 F26Q20-N24 VanDerWaalsContact O-CB 3.27Å; Q20-N24 WeakPolarHBondContact O-CB 3.19Å; Q20-N24 PolarHBondContact O-N 2.8Å; Q20-N24 PolarHBondContact O-ND2 3Å; Q20-N24 VanDerWaalsContact O-ND2 3.09Å; L21-N24 PolarHBondContact O-N 3.15Å; N24-F26 HydrophobicContact CB-CB 4.2Å; N24-F26 PolarHBondContact O-N 3.24Å; N24-F26 VanDerWaalsContact O-N 3.1Å
25N71.6Confident83.3Confident61 Ų6176 Ų7633%0.32638%0.381SS..THydrogen-bonded Turntrans47.237.5-172-159.919.3000111.9L21 H23 M27L21-N25 PolarHBondContact O-N 3.47Å; L21-N25 VanDerWaalsContact O-N 3.15Å; H23-N25 VanDerWaalsContact C-N 3.27Å; H23-N25 PolarHBondContact O-N 3Å; N25-M27 PolarHBondContact O-N 3.42Å; N25-M27 VanDerWaalsContact O-N 3.08Å
26F60Low83.4Confident126 Ų12676 Ų7655%0.55338%0.378SS*.  trans-78.3100.1-168.8-170.4-92.6000110L21 N24 I28L21-F26 HydrophobicContact CD2-CB 4.18Å; L21-F26 HydrophobicContact CD2-CD1 4.18Å; L21-F26 PolarHBondContact O-N 3.39Å; N24-F26 HydrophobicContact CB-CB 4.2Å; N24-F26 PolarHBondContact O-N 3.24Å; N24-F26 VanDerWaalsContact O-N 3.1Å; F26-I28 HydrophobicContact CZ-CD1 4.15Å; F26-I28 HydrophobicContact CZ-CG1 4.33Å
27M60.7Low83.4Confident48 Ų4872.3 Ų72.324%0.23636%0.363CS..  trans-141.6134.1156.1-96-159.9164.500110.1N25 M29 A89 L99N25-M27 PolarHBondContact O-N 3.42Å; N25-M27 VanDerWaalsContact O-N 3.08Å; M27-M29 PolarHBondContact O-N 2.79Å; M27-A89 HydrophobicContact CE-CB 3.63Å; M27-A89 HydrophobicContact CG-CB 4.08Å; M27-A89 HydrophobicContact SD-CB 3.79Å; M27-L99 HydrophobicContact CE-CD2 4.13Å; M27-L99 HydrophobicContact CE-CG 4.06Å; M27-L99 HydrophobicContact SD-CD2 4.23Å
28I54.4Low83.5Confident122 Ų12272.1 Ų72.163%0.62636%0.357SS*.  trans-84.1112.2173.3-63.3171.9000107.1F26 T30F26-I28 HydrophobicContact CZ-CD1 4.15Å; F26-I28 HydrophobicContact CZ-CG1 4.33Å; I28-T30 HydrophobicContact CG2-CG2 4.23Å
29M57.3Low83.3Confident100 Ų10073.3 Ų73.349%0.49336%0.363SS..  trans-78.7115.2176.2-59.3174.681.100110M27M27-M29 PolarHBondContact O-N 2.79Å
30T70.8Confident83.1Confident116 Ų11674 Ų7471%0.71236%0.364SS*.  trans-154.548.9170.756.40000112.8I28I28-T30 HydrophobicContact CG2-CG2 4.23Å
31A87.3Confident83Confident23 Ų2369.5 Ų69.519%0.1934%0.344CS..  trans-136.4154.6168.700000110.9D35 F36 T101 F103A31-D35 WeakPolarHBondContact CA-OD2 3.36Å; A31-F36 HydrophobicContact CB-CE2 4.02Å; A31-F36 HydrophobicContact CB-CZ 4.36Å; A31-T101 HydrophobicContact CB-CG2 3.94Å; A31-F103 HydrophobicContact CB-CD1 3.92Å; A31-F103 HydrophobicContact CB-CE1 4.29Å; A31-F103 WeakPolarHBondContact O-CB 2.98Å; A31-F103 WeakPolarHBondContact O-CG 3.43Å
32K91.8Very high82.9Confident112 Ų11270.4 Ų70.449%0.48735%0.349SS..  trans-131.8163.2171.454.2172.6-179.2163.20109.8D34 D35 F36K32-D34 HydrophobicContact CD-CB 4.08Å; K32-D34 HydrophobicContact CG-CB 4.28Å; K32-D34 IonicContact NZ-OD2 3.5Å; K32-D34 PolarHBondContact NZ-OD2 3.02Å; K32-D34 PolarHBondContact O-N 3.02Å; K32-D35 VanDerWaalsContact CG-OD2 3.25Å; K32-D35 WeakPolarHBondContact CG-OD2 3.33Å; K32-D35 PolarHBondContact N-OD2 3.32Å; K32-D35 WeakPolarHBondContact O-CB 3.37Å; K32-D35 PolarHBondContact O-N 3.4Å; K32-F36 WeakPolarHBondContact O-CD2 3.28Å
33L92.8Very high82.5Confident31 Ų3170.7 Ų70.716%0.16236%0.359CS..G310 helixtrans-55.8-38.2-179.1-17361000112.2D35 F36 L64 F103 Y110 L333 I335L33-D35 PolarHBondContact O-N 2.92Å; L33-D35 VanDerWaalsContact O-N 3.13Å; L33-F36 PolarHBondContact O-N 3.5Å; L33-L64 HydrophobicContact CD1-CD2 3.88Å; L33-F103 HydrophobicContact CB-CE2 4.02Å; L33-F103 HydrophobicContact CD1-CE2 4.5Å; L33-Y110 HydrophobicContact CD1-CD1 4.39Å; L33-Y110 HydrophobicContact CD1-CE1 3.9Å; L33-Y110 HydrophobicContact CD2-CE1 4.47Å; L33-L333 HydrophobicContact CD2-CD1 4.05Å; L33-I335 HydrophobicContact CD2-CD1 3.86Å
34D94.2Very high82.2Confident116 Ų11672.2 Ų72.262%0.6237%0.367SS*.G310 helixtrans-62.7-15.9177.8-59.1-18.4000114.6K32 F36 I56K32-D34 HydrophobicContact CD-CB 4.08Å; K32-D34 HydrophobicContact CG-CB 4.28Å; K32-D34 IonicContact NZ-OD2 3.5Å; K32-D34 PolarHBondContact NZ-OD2 3.02Å; K32-D34 PolarHBondContact O-N 3.02Å; D34-F36 PolarHBondContact O-N 2.84Å; D34-I56 VanDerWaalsContact O-CD1 3.25Å; D34-I56 WeakPolarHBondContact O-CD1 3.49Å
35D95.3Very high81.5Confident28 Ų2869.1 Ų69.115%0.1536%0.361CS..G310 helixtrans-74.5-8.9175.3-60.5-38.3000111.6A31 K32 L33 H55 I56A31-D35 WeakPolarHBondContact CA-OD2 3.36Å; K32-D35 VanDerWaalsContact CG-OD2 3.25Å; K32-D35 WeakPolarHBondContact CG-OD2 3.33Å; K32-D35 PolarHBondContact N-OD2 3.32Å; K32-D35 WeakPolarHBondContact O-CB 3.37Å; K32-D35 PolarHBondContact O-N 3.4Å; L33-D35 PolarHBondContact O-N 2.92Å; L33-D35 VanDerWaalsContact O-N 3.13Å; D35-H55 WeakPolarHBondContact O-CA 3.2Å; D35-H55 PolarHBondContact O-CD2 2.98Å; D35-I56 PolarHBondContact O-N 3.15Å
36F95.5Very high81.4Confident17 Ų1769.7 Ų69.78%0.07538%0.381CS..EExtended strand (participates in β ladder)trans-124.4130.2-173.5-58.5-83.6000112.5A31 K32 L33 D34 V53 R54 H55 Y62 F103 V112A31-F36 HydrophobicContact CB-CE2 4.02Å; A31-F36 HydrophobicContact CB-CZ 4.36Å; K32-F36 WeakPolarHBondContact O-CD2 3.28Å; L33-F36 PolarHBondContact O-N 3.5Å; D34-F36 PolarHBondContact O-N 2.84Å; F36-V53 HydrophobicContact CB-CB 4.09Å; F36-V53 HydrophobicContact CB-CG2 4.29Å; F36-V53 HydrophobicContact CD1-CB 4.35Å; F36-V53 HydrophobicContact CD1-CG2 3.71Å; F36-V53 HydrophobicContact CE1-CG2 4.43Å; F36-V53 HydrophobicContact CG-CG2 4.22Å; F36-R54 CarbonylContact C-O 3.57Å; F36-R54 WeakPolarHBondContact CA-O 3.48Å; F36-H55 HydrophobicContact CD1-CB 4.04Å; F36-H55 HydrophobicContact CE1-CB 3.92Å; F36-H55 AromaticContact CE1-CD2 3.92Å; F36-Y62 HydrophobicContact CE1-CD2 4.11Å; F36-F103 HydrophobicContact CD2-CE1 4.26Å; F36-F103 HydrophobicContact CD2-CZ 4.16Å; F36-F103 AromaticContact CE2-CE1 3.7Å; F36-F103 HydrophobicContact CE2-CE1 3.7Å; F36-F103 HydrophobicContact CE2-CZ 4.06Å; F36-V112 HydrophobicContact CE1-CG1 4.11Å; F36-V112 HydrophobicContact CE1-CG2 4.29Å; F36-V112 HydrophobicContact CE2-CG2 4.04Å; F36-V112 HydrophobicContact CZ-CG1 4.14Å; F36-V112 HydrophobicContact CZ-CG2 3.65Å
37E94.8Very high82.1Confident63 Ų6366.8 Ų66.829%0.29437%0.368SS..EExtended strand (participates in β ladder)trans-85.7130.5164.5-178.8-175.8-143.700109.7L39 V53 R54 I56 Y318E37-L39 HydrophobicContact CG-CD2 3.95Å; E37-V53 CarbonylContact O-C 3.57Å; E37-V53 WeakPolarHBondContact O-CA 3.46Å; E37-V53 WeakPolarHBondContact O-CB 3.41Å; E37-R54 HydrophobicContact CB-CB 4.45Å; E37-R54 PolarHBondContact N-O 3.35Å; E37-R54 PolarHBondContact O-N 3.21Å; E37-R54 IonicContact OE1-NH2 3.8Å; E37-R54 IonicContact OE2-CZ 3.01Å; E37-R54 IonicContact OE2-NE 2.7Å; E37-R54 PolarHBondContact OE2-NE 2.93Å; E37-R54 IonicContact OE2-NH2 2.64Å; E37-R54 PolarHBondContact OE2-NH2 2.92Å; E37-I56 HydrophobicContact CB-CG1 4.31Å; E37-Y318 WeakPolarHBondContact OE2-CE2 3.16Å
38R93.5Very high83.2Confident80 Ų8065.3 Ų65.330%0.30237%0.365SS..EExtended strand (participates in β ladder)trans-87.3120.3179.2-58.4-178.8-64.6152.64.1109.4L51 V53 L330 I331R38-L51 HydrophobicContact CB-CD1 4.38Å; R38-L51 HydrophobicContact CG-CD1 4.13Å; R38-V53 HydrophobicContact CG-CG1 4.36Å; R38-L330 HydrophobicContact CB-CD2 4Å; R38-I331 PolarHBondContact NH1-O 3.34Å
39L91.3Very high84.9Confident25 Ų2561.5 Ų61.513%0.13134%0.344CS..EExtended strand (participates in β ladder)trans-99.8-51.6-173.3-57.7-175.6000112.6E37 L52 R54 L61 Y318 I321E37-L39 HydrophobicContact CG-CD2 3.95Å; L39-L52 HydrophobicContact CB-CB 4.48Å; L39-L52 HydrophobicContact CB-CG 4.26Å; L39-L52 WeakPolarHBondContact CB-O 3.39Å; L39-L52 HydrophobicContact CD1-CD2 4.38Å; L39-L52 HydrophobicContact CD1-CG 4.17Å; L39-L52 PolarHBondContact N-O 3.36Å; L39-R54 HydrophobicContact CD1-CB 4.04Å; L39-R54 HydrophobicContact CD2-CB 4.5Å; L39-R54 HydrophobicContact CG-CB 4.35Å; L39-L61 HydrophobicContact CD1-CD2 3.6Å; L39-Y318 HydrophobicContact CD1-CD2 4.11Å; L39-Y318 HydrophobicContact CD2-CD2 3.94Å; L39-Y318 HydrophobicContact CD2-CE2 3.62Å; L39-I321 HydrophobicContact CD1-CD1 3.96Å
40R88.8Confident86.6Confident67 Ų6758.4 Ų58.425%0.25333%0.331SS..EExtended strand (participates in β ladder)trans-158.4161.517964.1173.1-173166.53.4112.2L42 L51 L52 Y115R40-L42 HydrophobicContact CG-CD2 4.45Å; R40-L51 CarbonylContact O-C 3.52Å; R40-L51 WeakPolarHBondContact O-CA 3.24Å; R40-L52 HydrophobicContact CG-CB 3.68Å; R40-L52 HydrophobicContact CG-CD2 3.98Å; R40-L52 HydrophobicContact CG-CG 4.43Å; R40-L52 PolarHBondContact N-O 3.48Å; R40-L52 PolarHBondContact O-N 3.42Å; R40-Y115 PolarHBondContact NH2-OH 2.89Å
41T89.7Confident87.7Confident25 Ų2552.9 Ų52.915%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-76.4128.1166.5-53.60000109.9L51 I331T41-L51 HydrophobicContact CG2-CD2 4.22Å; T41-I331 HydrophobicContact CG2-CD1 3.66Å; T41-I331 WeakPolarHBondContact OG1-CD1 3.33Å
42L87.8Confident88Confident61 Ų6151.8 Ų51.832%0.31929%0.288SS..EExtended strand (participates in β ladder)trans-94-33.8174.1-67.6175.7000111.9R40 V50 L52 A63 Y115R40-L42 HydrophobicContact CG-CD2 4.45Å; L42-V50 HydrophobicContact CB-CB 4.39Å; L42-V50 HydrophobicContact CB-CG1 4.21Å; L42-V50 WeakPolarHBondContact CB-O 3.44Å; L42-V50 HydrophobicContact CD1-CG1 4.19Å; L42-V50 PolarHBondContact N-O 2.98Å; L42-L52 HydrophobicContact CD1-CB 3.95Å; L42-L52 HydrophobicContact CD2-CB 3.97Å; L42-L52 HydrophobicContact CG-CB 3.85Å; L42-A63 HydrophobicContact CD1-CB 3.96Å; L42-Y115 HydrophobicContact CD1-CD2 3.76Å; L42-Y115 HydrophobicContact CD1-CE2 3.69Å; L42-Y115 HydrophobicContact CD2-CE2 3.79Å; L42-Y115 HydrophobicContact CG-CE2 4.41Å
43G84.1Confident88.1Confident30 Ų3046.5 Ų46.531%0.30927%0.265SS..EExtended strand (participates in β ladder)trans-177.1170.4178.800000113V50G43-V50 PolarHBondContact N-O 3.28Å; G43-V50 PolarHBondContact O-N 3.45Å
44Q80.9Confident88.2Confident158 Ų15847 Ų4774%0.73827%0.265SS*.EExtended strand (participates in β ladder)trans-123.2122175.8-175.8174.36.600108.6
45G69.1Low88.2Confident43 Ų4343.2 Ų43.244%0.44324%0.243SC..EExtended strand (participates in β ladder)trans-101.3178.8174.200000111.8F47 G48G45-F47 PolarHBondContact O-N 3.34Å; G45-F47 VanDerWaalsContact O-N 3.13Å; G45-G48 PolarHBondContact N-O 3.17Å; G45-G48 PolarHBondContact O-N 3Å; G45-G48 VanDerWaalsContact O-O 3.13Å
46G69.6Low88.2Confident73 Ų7346.2 Ų46.275%0.75326%0.259SS*.THydrogen-bonded Turntrans-60.4-25.5-17500000115.6
47F74.8Confident88.1Confident65 Ų6553.9 Ų53.929%0.28529%0.292SS..THydrogen-bonded Turntrans-1204.5-177.2-52.8-65.2000114.4G45 L67 S68 N75 Q77G45-F47 PolarHBondContact O-N 3.34Å; G45-F47 VanDerWaalsContact O-N 3.13Å; F47-L67 HydrophobicContact CB-CD2 4.17Å; F47-S68 PolarHBondContact O-N 3.26Å; F47-S68 VanDerWaalsContact O-N 3.16Å; F47-N75 HydrophobicContact CE1-CB 3.93Å; F47-Q77 HydrophobicContact CE1-CG 3.91Å; F47-Q77 HydrophobicContact CE2-CG 4.24Å; F47-Q77 HydrophobicContact CZ-CB 4.36Å; F47-Q77 HydrophobicContact CZ-CG 3.58Å
48G82.6Confident88.1Confident16 Ų1654.3 Ų54.317%0.16530%0.299CS..EExtended strand (participates in β ladder)trans163.6-151.3-179.200000114.3G45 I66G45-G48 PolarHBondContact N-O 3.17Å; G45-G48 PolarHBondContact O-N 3Å; G45-G48 VanDerWaalsContact O-O 3.13Å; G48-I66 CarbonylContact C-O 3.53Å; G48-I66 VanDerWaalsContact CA-O 3.27Å; G48-I66 WeakPolarHBondContact CA-O 3.47Å
49H91Very high88Confident42 Ų4254.5 Ų54.519%0.19431%0.306CS..EExtended strand (participates in β ladder)trans-127.7151.4-164.2-56.2101.5000111.3I66 I331H49-I66 PolarHBondContact N-O 2.96Å; H49-I66 PolarHBondContact O-N 3.22Å; H49-I331 HydrophobicContact CB-CD1 3.79Å; H49-I331 WeakPolarHBondContact CD2-CD1 3.31Å
50V92.4Very high88.1Confident36 Ų3659.4 Ų59.422%0.21833%0.326CS..EExtended strand (participates in β ladder)trans-112.7120.9170.3-1730000107.6L42 G43 A63 L64 K65L42-V50 HydrophobicContact CB-CB 4.39Å; L42-V50 HydrophobicContact CB-CG1 4.21Å; L42-V50 WeakPolarHBondContact CB-O 3.44Å; L42-V50 HydrophobicContact CD1-CG1 4.19Å; L42-V50 PolarHBondContact N-O 2.98Å; G43-V50 PolarHBondContact N-O 3.28Å; G43-V50 PolarHBondContact O-N 3.45Å; V50-A63 HydrophobicContact CG1-CB 4Å; V50-L64 WeakPolarHBondContact CA-O 3.45Å; V50-K65 HydrophobicContact CG2-CB 4.47Å; V50-K65 HydrophobicContact CG2-CG 4.29Å
51L93.7Very high88.3Confident0 Ų057.7 Ų57.70%032%0.322CS..EExtended strand (participates in β ladder)trans-108.3145.2177.3-55.6-173.1000110.5R38 R40 T41 V53 A63 L64 I66 I331R38-L51 HydrophobicContact CB-CD1 4.38Å; R38-L51 HydrophobicContact CG-CD1 4.13Å; R40-L51 CarbonylContact O-C 3.52Å; R40-L51 WeakPolarHBondContact O-CA 3.24Å; T41-L51 HydrophobicContact CG2-CD2 4.22Å; L51-V53 HydrophobicContact CB-CG1 4.04Å; L51-A63 CarbonylContact O-C 3.42Å; L51-A63 WeakPolarHBondContact O-CA 3.28Å; L51-L64 PolarHBondContact N-O 3.12Å; L51-L64 PolarHBondContact O-N 3.45Å; L51-I66 HydrophobicContact CD1-CD1 3.53Å; L51-I66 HydrophobicContact CG-CD1 3.81Å; L51-I331 HydrophobicContact CD2-CD1 4.2Å
52L93.6Very high88.6Confident0 Ų058.2 Ų58.20%032%0.321CS..EExtended strand (participates in β ladder)trans-77.2124.8160.1179.356.5000107.6L39 R40 L42 L61 Y62 Y115 I321L39-L52 HydrophobicContact CB-CB 4.48Å; L39-L52 HydrophobicContact CB-CG 4.26Å; L39-L52 WeakPolarHBondContact CB-O 3.39Å; L39-L52 HydrophobicContact CD1-CD2 4.38Å; L39-L52 HydrophobicContact CD1-CG 4.17Å; L39-L52 PolarHBondContact N-O 3.36Å; R40-L52 HydrophobicContact CG-CB 3.68Å; R40-L52 HydrophobicContact CG-CD2 3.98Å; R40-L52 HydrophobicContact CG-CG 4.43Å; R40-L52 PolarHBondContact N-O 3.48Å; R40-L52 PolarHBondContact O-N 3.42Å; L42-L52 HydrophobicContact CD1-CB 3.95Å; L42-L52 HydrophobicContact CD2-CB 3.97Å; L42-L52 HydrophobicContact CG-CB 3.85Å; L52-L61 HydrophobicContact CD1-CB 4.22Å; L52-L61 HydrophobicContact CD1-CD2 4.33Å; L52-Y62 WeakPolarHBondContact CD1-O 3.41Å; L52-Y115 HydrophobicContact CD1-CD1 3.64Å; L52-Y115 HydrophobicContact CD1-CD2 3.81Å; L52-Y115 HydrophobicContact CD1-CE1 3.64Å; L52-Y115 HydrophobicContact CD1-CE2 3.83Å; L52-Y115 HydrophobicContact CD1-CG 3.72Å; L52-Y115 HydrophobicContact CD2-CE1 4.26Å; L52-I321 HydrophobicContact CD2-CD1 3.76Å
53V95Very high88.9Confident0 Ų055.6 Ų55.60%031%0.308CS..EExtended strand (participates in β ladder)trans-128.8155.4179.4-57.70000111.4F36 E37 R38 L51 L61 Y62 L64F36-V53 HydrophobicContact CB-CB 4.09Å; F36-V53 HydrophobicContact CB-CG2 4.29Å; F36-V53 HydrophobicContact CD1-CB 4.35Å; F36-V53 HydrophobicContact CD1-CG2 3.71Å; F36-V53 HydrophobicContact CE1-CG2 4.43Å; F36-V53 HydrophobicContact CG-CG2 4.22Å; E37-V53 CarbonylContact O-C 3.57Å; E37-V53 WeakPolarHBondContact O-CA 3.46Å; E37-V53 WeakPolarHBondContact O-CB 3.41Å; R38-V53 HydrophobicContact CG-CG1 4.36Å; L51-V53 HydrophobicContact CB-CG1 4.04Å; V53-L61 WeakPolarHBondContact O-CA 3.25Å; V53-Y62 PolarHBondContact N-O 2.67Å; V53-Y62 PolarHBondContact O-N 3.2Å; V53-L64 HydrophobicContact CB-CB 4.42Å; V53-L64 HydrophobicContact CG1-CB 3.63Å; V53-L64 HydrophobicContact CG1-CD2 3.87Å; V53-L64 HydrophobicContact CG1-CG 4.39Å; V53-L64 HydrophobicContact CG2-CB 3.86Å
54R94.1Very high89.5Confident43 Ų4354.2 Ų54.216%0.16229%0.294CS..EExtended strand (participates in β ladder)trans-116.9123.6174.2-177.2-179.180.3139.4-12.5109.1F36 E37 L39 I56 N59 K60 L61 Y318F36-R54 CarbonylContact C-O 3.57Å; F36-R54 WeakPolarHBondContact CA-O 3.48Å; E37-R54 HydrophobicContact CB-CB 4.45Å; E37-R54 PolarHBondContact N-O 3.35Å; E37-R54 PolarHBondContact O-N 3.21Å; E37-R54 IonicContact OE1-NH2 3.8Å; E37-R54 IonicContact OE2-CZ 3.01Å; E37-R54 IonicContact OE2-NE 2.7Å; E37-R54 PolarHBondContact OE2-NE 2.93Å; E37-R54 IonicContact OE2-NH2 2.64Å; E37-R54 PolarHBondContact OE2-NH2 2.92Å; L39-R54 HydrophobicContact CD1-CB 4.04Å; L39-R54 HydrophobicContact CD2-CB 4.5Å; L39-R54 HydrophobicContact CG-CB 4.35Å; R54-I56 PolarHBondContact O-N 2.97Å; R54-N59 WeakPolarHBondContact CD-OD1 3.46Å; R54-N59 PolarHBondContact NH1-OD1 3.19Å; R54-K60 WeakPolarHBondContact CA-O 3.33Å; R54-L61 HydrophobicContact CB-CD2 4.05Å; R54-L61 HydrophobicContact CG-CD2 4.35Å; R54-Y318 VanDerWaalsContact CD-CD2 3.43Å
55H95.2Very high90.2Very high35 Ų3548 Ų4816%0.16227%0.265CS..EExtended strand (participates in β ladder)trans-70.7117.7172-179.7-107.6000109.4D35 F36 K57 T58 N59 K60 Y62D35-H55 WeakPolarHBondContact O-CA 3.2Å; D35-H55 PolarHBondContact O-CD2 2.98Å; F36-H55 HydrophobicContact CD1-CB 4.04Å; F36-H55 HydrophobicContact CE1-CB 3.92Å; F36-H55 AromaticContact CE1-CD2 3.92Å; H55-K57 VanDerWaalsContact C-N 3.33Å; H55-K57 PolarHBondContact O-N 3.23Å; H55-T58 WeakPolarHBondContact ND1-CG2 3.31Å; H55-T58 PolarHBondContact ND1-N 3.2Å; H55-T58 PolarHBondContact ND1-OG1 3.14Å; H55-T58 PolarHBondContact O-N 3.39Å; H55-N59 WeakPolarHBondContact O-CA 3.44Å; H55-N59 PolarHBondContact O-N 3.23Å; H55-K60 PolarHBondContact N-O 3.42Å; H55-Y62 HydrophobicContact CB-CD2 4.12Å; H55-Y62 HydrophobicContact CB-CE2 3.7Å
56I95Very high91.4Very high92 Ų9246.1 Ų46.147%0.47224%0.244SC..THydrogen-bonded Turntrans-59.3-43.1-165.2-64.7174.4000111.6D34 D35 E37 R54D34-I56 VanDerWaalsContact O-CD1 3.25Å; D34-I56 WeakPolarHBondContact O-CD1 3.49Å; D35-I56 PolarHBondContact O-N 3.15Å; E37-I56 HydrophobicContact CB-CG1 4.31Å; R54-I56 PolarHBondContact O-N 2.97Å
57K93.8Very high92.6Very high178 Ų17842.9 Ų42.977%0.77421%0.21SC*.THydrogen-bonded Turntrans-74.9-36.4-175.3-64.1179.4-178.4170.70113.7H55H55-K57 VanDerWaalsContact C-N 3.33Å; H55-K57 PolarHBondContact O-N 3.23Å
58T93.8Very high93.5Very high72 Ų7240.8 Ų40.844%0.44220%0.203SC..THydrogen-bonded Turntrans-101.7-8-174.763.40000113.1H55 K60H55-T58 WeakPolarHBondContact ND1-CG2 3.31Å; H55-T58 PolarHBondContact ND1-N 3.2Å; H55-T58 PolarHBondContact ND1-OG1 3.14Å; H55-T58 PolarHBondContact O-N 3.39Å; T58-K60 PolarHBondContact O-N 2.85Å
59N92.7Very high94.1Very high84 Ų8440.1 Ų40.145%0.44920%0.195SC..  trans58.514.7-176-152.335.8000114.3R54 H55R54-N59 WeakPolarHBondContact CD-OD1 3.46Å; R54-N59 PolarHBondContact NH1-OD1 3.19Å; H55-N59 WeakPolarHBondContact O-CA 3.44Å; H55-N59 PolarHBondContact O-N 3.23Å
60K92.9Very high94.2Very high127 Ų12741.2 Ų41.255%0.55220%0.203SC*.  trans-82.2141-180-71.8-173.5176.2-175.40110.9R54 H55 T58 Y62R54-K60 WeakPolarHBondContact CA-O 3.33Å; H55-K60 PolarHBondContact N-O 3.42Å; T58-K60 PolarHBondContact O-N 2.85Å; K60-Y62 HydrophobicContact CB-CE2 3.63Å; K60-Y62 WeakPolarHBondContact O-CD2 3.43Å
61L93.7Very high94.2Very high31 Ų3143.8 Ų43.816%0.16221%0.212CC..EExtended strand (participates in β ladder)trans-87140.7176.6-63.4177.2000111.2L39 L52 V53 R54 Y115 I321L39-L61 HydrophobicContact CD1-CD2 3.6Å; L52-L61 HydrophobicContact CD1-CB 4.22Å; L52-L61 HydrophobicContact CD1-CD2 4.33Å; V53-L61 WeakPolarHBondContact O-CA 3.25Å; R54-L61 HydrophobicContact CB-CD2 4.05Å; R54-L61 HydrophobicContact CG-CD2 4.35Å; L61-Y115 HydrophobicContact CB-CD1 4.11Å; L61-Y115 HydrophobicContact CD1-CD1 4.48Å; L61-Y115 HydrophobicContact CD1-CE1 4.4Å; L61-I321 HydrophobicContact CD1-CD1 3.9Å; L61-I321 HydrophobicContact CD2-CD1 4.24Å
62Y95.2Very high94.2Very high37 Ų3743.8 Ų43.815%0.14521%0.212CC..EExtended strand (participates in β ladder)trans-141.5160.8176.5-58.9-80.9000110.3F36 L52 V53 H55 K60 Y100 V112F36-Y62 HydrophobicContact CE1-CD2 4.11Å; L52-Y62 WeakPolarHBondContact CD1-O 3.41Å; V53-Y62 PolarHBondContact N-O 2.67Å; V53-Y62 PolarHBondContact O-N 3.2Å; H55-Y62 HydrophobicContact CB-CD2 4.12Å; H55-Y62 HydrophobicContact CB-CE2 3.7Å; K60-Y62 HydrophobicContact CB-CE2 3.63Å; K60-Y62 WeakPolarHBondContact O-CD2 3.43Å; Y62-Y100 AromaticContact CD1-CD2 3.56Å; Y62-Y100 HydrophobicContact CD1-CD2 3.56Å; Y62-Y100 AromaticContact CD1-CE2 3.67Å; Y62-Y100 HydrophobicContact CD1-CE2 3.67Å; Y62-Y100 HydrophobicContact CD1-CG 4.45Å; Y62-Y100 AromaticContact CE1-CD2 3.59Å; Y62-Y100 HydrophobicContact CE1-CD2 3.59Å; Y62-Y100 AromaticContact CE1-CE2 3.62Å; Y62-Y100 HydrophobicContact CE1-CE2 3.62Å; Y62-Y100 HydrophobicContact CE1-CG 4.13Å; Y62-V112 HydrophobicContact CD1-CG1 3.91Å; Y62-V112 HydrophobicContact CD2-CG1 4.32Å; Y62-V112 HydrophobicContact CG-CG1 3.72Å
63A94.9Very high94.2Very high6 Ų646 Ų465%0.0522%0.223CC..EExtended strand (participates in β ladder)trans-95.7131.9163.700000108.7L42 V50 L51 I113 Y115L42-A63 HydrophobicContact CD1-CB 3.96Å; V50-A63 HydrophobicContact CG1-CB 4Å; L51-A63 CarbonylContact O-C 3.42Å; L51-A63 WeakPolarHBondContact O-CA 3.28Å; A63-I113 HydrophobicContact CB-CD1 4.28Å; A63-I113 HydrophobicContact CB-CG1 3.78Å; A63-I113 PolarHBondContact N-O 2.89Å; A63-I113 WeakPolarHBondContact O-CG1 3.3Å; A63-I113 PolarHBondContact O-N 2.86Å; A63-Y115 HydrophobicContact CB-CD2 4.47Å
64L95.7Very high94.2Very high0 Ų053 Ų530%025%0.254CS..EExtended strand (participates in β ladder)trans-109.5105.1178.6-174.668.6000108.7L33 V50 L51 V53 I66 F103 Y110 M111 V112L33-L64 HydrophobicContact CD1-CD2 3.88Å; V50-L64 WeakPolarHBondContact CA-O 3.45Å; L51-L64 PolarHBondContact N-O 3.12Å; L51-L64 PolarHBondContact O-N 3.45Å; V53-L64 HydrophobicContact CB-CB 4.42Å; V53-L64 HydrophobicContact CG1-CB 3.63Å; V53-L64 HydrophobicContact CG1-CD2 3.87Å; V53-L64 HydrophobicContact CG1-CG 4.39Å; V53-L64 HydrophobicContact CG2-CB 3.86Å; L64-I66 HydrophobicContact CD2-CD1 4.12Å; L64-I66 HydrophobicContact CD2-CG1 4.12Å; L64-I66 HydrophobicContact CG-CD1 4.46Å; L64-I66 HydrophobicContact CG-CG1 3.98Å; L64-F103 HydrophobicContact CD1-CE1 4.06Å; L64-F103 HydrophobicContact CD1-CZ 3.92Å; L64-Y110 HydrophobicContact CD1-CD1 4.16Å; L64-Y110 HydrophobicContact CD2-CD1 3.99Å; L64-Y110 HydrophobicContact CD2-CE1 4.45Å; L64-Y110 HydrophobicContact CG-CD1 4.16Å; L64-M111 WeakPolarHBondContact CA-O 3.37Å; L64-V112 HydrophobicContact CD1-CG2 3.8Å
65K94.9Very high94.1Very high29 Ų2954.5 Ų54.513%0.12627%0.265CS..EExtended strand (participates in β ladder)trans-81.1119.1171.5-169.5-179-166-171.50107.9V50 L67 E84 Y110 M111 D177V50-K65 HydrophobicContact CG2-CB 4.47Å; V50-K65 HydrophobicContact CG2-CG 4.29Å; K65-L67 HydrophobicContact CD-CD2 4.41Å; K65-L67 HydrophobicContact CG-CD2 4.17Å; K65-L67 HydrophobicContact CG-CG 4.41Å; K65-E84 IonicContact NZ-OE1 2.94Å; K65-E84 PolarHBondContact NZ-OE1 3.29Å; K65-E84 IonicContact NZ-OE2 2.99Å; K65-E84 PolarHBondContact NZ-OE2 3.2Å; K65-Y110 WeakPolarHBondContact O-CA 3.44Å; K65-M111 HydrophobicContact CB-CB 4.21Å; K65-M111 HydrophobicContact CD-SD 4.36Å; K65-M111 PolarHBondContact N-O 2.95Å; K65-M111 PolarHBondContact O-N 3.43Å; K65-D177 IonicContact NZ-OD1 2.64Å; K65-D177 PolarHBondContact NZ-OD1 3.05Å
66I95.4Very high94Very high2 Ų260.6 Ų60.61%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-111.7122.9-176.9-50.6179.3000107.8G48 H49 L51 L64 Y108 L109 Y110 L333G48-I66 CarbonylContact C-O 3.53Å; G48-I66 VanDerWaalsContact CA-O 3.27Å; G48-I66 WeakPolarHBondContact CA-O 3.47Å; H49-I66 PolarHBondContact N-O 2.96Å; H49-I66 PolarHBondContact O-N 3.22Å; L51-I66 HydrophobicContact CD1-CD1 3.53Å; L51-I66 HydrophobicContact CG-CD1 3.81Å; L64-I66 HydrophobicContact CD2-CD1 4.12Å; L64-I66 HydrophobicContact CD2-CG1 4.12Å; L64-I66 HydrophobicContact CG-CD1 4.46Å; L64-I66 HydrophobicContact CG-CG1 3.98Å; I66-Y108 HydrophobicContact CG2-CD1 3.72Å; I66-Y108 HydrophobicContact CG2-CE1 4.49Å; I66-Y108 HydrophobicContact CG2-CG 3.81Å; I66-L109 WeakPolarHBondContact CA-O 3.29Å; I66-Y110 HydrophobicContact CB-CD1 4.38Å; I66-Y110 HydrophobicContact CB-CE1 4.34Å; I66-Y110 HydrophobicContact CD1-CD1 4.49Å; I66-Y110 HydrophobicContact CD1-CE1 4.14Å; I66-Y110 HydrophobicContact CG1-CD1 3.88Å; I66-Y110 HydrophobicContact CG1-CE1 3.94Å; I66-Y110 HydrophobicContact CG2-CD1 4.12Å; I66-Y110 HydrophobicContact CG2-CE1 3.69Å; I66-L333 HydrophobicContact CD1-CD1 3.9Å; I66-L333 HydrophobicContact CD1-CD2 4.03Å; I66-L333 HydrophobicContact CG2-CD2 4.16Å
67L94.6Very high93.8Very high6 Ų658.4 Ų58.43%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-121.5127.4-174.8-56.1167.8000110.3F47 K65 K69 I72 V81 Y108 L109 M111F47-L67 HydrophobicContact CB-CD2 4.17Å; K65-L67 HydrophobicContact CD-CD2 4.41Å; K65-L67 HydrophobicContact CG-CD2 4.17Å; K65-L67 HydrophobicContact CG-CG 4.41Å; L67-K69 PolarHBondContact O-N 3.08Å; L67-I72 HydrophobicContact CB-CD1 3.78Å; L67-V81 HydrophobicContact CD1-CG1 3.74Å; L67-V81 HydrophobicContact CD1-CG2 4.34Å; L67-Y108 CarbonylContact O-C 3.44Å; L67-Y108 VanDerWaalsContact O-CA 3.24Å; L67-Y108 WeakPolarHBondContact O-CA 3.37Å; L67-L109 HydrophobicContact CB-CB 4.3Å; L67-L109 PolarHBondContact N-O 3.22Å; L67-L109 PolarHBondContact O-N 3.38Å; L67-M111 HydrophobicContact CD1-CE 4.17Å
68S94.1Very high93.8Very high21 Ų2152 Ų5215%0.14725%0.254CS..EExtended strand (participates in β ladder)trans-75.9119.6178.7169.30000111.3F47 L70 H71 I72F47-S68 PolarHBondContact O-N 3.26Å; F47-S68 VanDerWaalsContact O-N 3.16Å; S68-L70 VanDerWaalsContact C-N 3.28Å; S68-L70 PolarHBondContact O-N 2.89Å; S68-H71 PolarHBondContact O-N 3.34Å; S68-H71 PolarHBondContact OG-N 3.05Å; S68-I72 VanDerWaalsContact O-CG1 3.28Å; S68-I72 WeakPolarHBondContact O-CG1 3.47Å; S68-I72 PolarHBondContact O-N 3.4Å
69K94.4Very high93.8Very high1 Ų154.6 Ų54.60%0.00427%0.266CS..Hα-helixtrans-55.2-44.9176.8-69.7-177.5-173.5-173.70111.9L67 H71 I72 I73 D105 T107 L109 E339 F341 F345L67-K69 PolarHBondContact O-N 3.08Å; K69-H71 PolarHBondContact O-N 3.23Å; K69-I72 PolarHBondContact O-N 2.93Å; K69-I73 WeakPolarHBondContact O-CD1 3.46Å; K69-I73 WeakPolarHBondContact O-CG1 3.18Å; K69-I73 PolarHBondContact O-N 2.94Å; K69-D105 WeakPolarHBondContact CE-O 3.45Å; K69-D105 PolarHBondContact NZ-O 2.98Å; K69-T107 WeakPolarHBondContact CB-O 3.49Å; K69-T107 VanDerWaalsContact CG-O 3.32Å; K69-T107 WeakPolarHBondContact CG-O 2.88Å; K69-T107 PolarHBondContact N-O 3.45Å; K69-L109 HydrophobicContact CD-CD2 4.45Å; K69-L109 HydrophobicContact CG-CD2 4.07Å; K69-L109 HydrophobicContact CG-CG 4.04Å; K69-E339 IonicContact NZ-OE1 3.01Å; K69-E339 PolarHBondContact NZ-OE1 3.33Å; K69-E339 IonicContact NZ-OE2 3.06Å; K69-E339 PolarHBondContact NZ-OE2 2.88Å; K69-F341 HydrophobicContact CB-CD2 3.89Å; K69-F341 HydrophobicContact CB-CE2 4.29Å; K69-F341 HydrophobicContact CD-CD2 4.2Å; K69-F345 HydrophobicContact CB-CD2 4.37Å; K69-F345 HydrophobicContact CB-CE2 3.7Å; K69-F345 HydrophobicContact CB-CZ 4.29Å; K69-F345 HydrophobicContact CD-CD2 3.9Å; K69-F345 HydrophobicContact CD-CE2 4.08Å; K69-F345 HydrophobicContact CG-CD2 3.9Å; K69-F345 HydrophobicContact CG-CE2 3.7Å; K69-F345 HydrophobicContact CG-CZ 4.37Å
70L92.9Very high93.7Very high66 Ų6652.8 Ų52.835%0.34626%0.256SS..Hα-helixtrans-62.9-42.2-179.6-179.3141.2000112S68 K74 F341S68-L70 VanDerWaalsContact C-N 3.28Å; S68-L70 PolarHBondContact O-N 2.89Å; L70-K74 HydrophobicContact CD2-CD 3.79Å; L70-K74 HydrophobicContact CG-CD 4.39Å; L70-K74 WeakPolarHBondContact O-CB 3.3Å; L70-K74 WeakPolarHBondContact O-CG 3.38Å; L70-K74 PolarHBondContact O-N 3.01Å; L70-F341 HydrophobicContact CB-CE2 4.28Å; L70-F341 HydrophobicContact CB-CZ 4.49Å
71H92.9Very high93.8Very high90 Ų9047 Ų4742%0.41723%0.231SC..Hα-helixtrans-66.1-40.9174.3-99.670.8000112.1S68 K69 I73 K74 N75S68-H71 PolarHBondContact O-N 3.34Å; S68-H71 PolarHBondContact OG-N 3.05Å; K69-H71 PolarHBondContact O-N 3.23Å; H71-I73 VanDerWaalsContact C-N 3.34Å; H71-I73 PolarHBondContact O-N 3.32Å; H71-K74 PolarHBondContact O-N 3.37Å; H71-N75 WeakPolarHBondContact O-CB 3.3Å; H71-N75 PolarHBondContact O-N 3.49Å; H71-N75 PolarHBondContact O-ND2 2.81Å
72I93.9Very high93.7Very high0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-59.7-46.3177.5-68162.1000110.7L67 S68 K69 N75 H76 Q77 I78 V81 L109 F345L67-I72 HydrophobicContact CB-CD1 3.78Å; S68-I72 VanDerWaalsContact O-CG1 3.28Å; S68-I72 WeakPolarHBondContact O-CG1 3.47Å; S68-I72 PolarHBondContact O-N 3.4Å; K69-I72 PolarHBondContact O-N 2.93Å; I72-N75 PolarHBondContact O-N 3.16Å; I72-H76 PolarHBondContact O-N 3.36Å; I72-H76 VanDerWaalsContact O-N 3.17Å; I72-Q77 HydrophobicContact CG2-CB 4.23Å; I72-Q77 PolarHBondContact O-N 3.07Å; I72-I78 HydrophobicContact CG2-CB 4.35Å; I72-I78 HydrophobicContact CG2-CG1 3.89Å; I72-V81 HydrophobicContact CD1-CG1 4.33Å; I72-V81 HydrophobicContact CD1-CG2 3.89Å; I72-V81 HydrophobicContact CG1-CG2 3.99Å; I72-V81 HydrophobicContact CG2-CG2 4.17Å; I72-L109 HydrophobicContact CD1-CD1 3.74Å; I72-L109 HydrophobicContact CD1-CG 4.49Å; I72-F345 HydrophobicContact CB-CZ 4.14Å; I72-F345 HydrophobicContact CD1-CE1 4.4Å; I72-F345 HydrophobicContact CD1-CZ 4.47Å; I72-F345 HydrophobicContact CG2-CE1 3.87Å; I72-F345 HydrophobicContact CG2-CZ 3.86Å
73I93.7Very high93.6Very high47 Ų4745.8 Ų45.824%0.24123%0.227CC..Hα-helixtrans-64.8-49.5179.6-70.2159.4000110.7K69 H71 N75 H76 I78 F341 V344 F345K69-I73 WeakPolarHBondContact O-CD1 3.46Å; K69-I73 WeakPolarHBondContact O-CG1 3.18Å; K69-I73 PolarHBondContact O-N 2.94Å; H71-I73 VanDerWaalsContact C-N 3.34Å; H71-I73 PolarHBondContact O-N 3.32Å; I73-N75 PolarHBondContact O-N 3.02Å; I73-H76 PolarHBondContact O-N 3.15Å; I73-I78 HydrophobicContact CG1-CD1 4.06Å; I73-I78 HydrophobicContact CG1-CG1 4.24Å; I73-F341 HydrophobicContact CD1-CB 4.05Å; I73-F341 HydrophobicContact CD1-CD1 3.26Å; I73-F341 HydrophobicContact CD1-CD2 3.73Å; I73-F341 HydrophobicContact CD1-CE1 3.5Å; I73-F341 VanDerWaalsContact CD1-CE1 3.5Å; I73-F341 HydrophobicContact CD1-CE2 3.94Å; I73-F341 HydrophobicContact CD1-CG 3.38Å; I73-F341 HydrophobicContact CD1-CZ 3.83Å; I73-V344 HydrophobicContact CD1-CG1 4.42Å; I73-V344 HydrophobicContact CG1-CG1 4.37Å; I73-F345 HydrophobicContact CD1-CE2 3.86Å; I73-F345 HydrophobicContact CD1-CZ 4.29Å; I73-F345 HydrophobicContact CG1-CE2 4.12Å; I73-F345 HydrophobicContact CG1-CZ 4.04Å
74K93.7Very high93.6Very high146 Ų14645.8 Ų45.864%0.63523%0.227SC*.Hα-helixtrans-58.8-32.5-180-78.2-175.9177-174.70113.1L70 H71L70-K74 HydrophobicContact CD2-CD 3.79Å; L70-K74 HydrophobicContact CG-CD 4.39Å; L70-K74 WeakPolarHBondContact O-CB 3.3Å; L70-K74 WeakPolarHBondContact O-CG 3.38Å; L70-K74 PolarHBondContact O-N 3.01Å; H71-K74 PolarHBondContact O-N 3.37Å
75N92.6Very high93.5Very high75 Ų7546.3 Ų46.340%0.40123%0.229SC..THydrogen-bonded Turntrans-95.77.4179.8-67.5-72.8000113.7F47 H71 I72 I73 Q77F47-N75 HydrophobicContact CE1-CB 3.93Å; H71-N75 WeakPolarHBondContact O-CB 3.3Å; H71-N75 PolarHBondContact O-N 3.49Å; H71-N75 PolarHBondContact O-ND2 2.81Å; I72-N75 PolarHBondContact O-N 3.16Å; I73-N75 PolarHBondContact O-N 3.02Å; N75-Q77 VanDerWaalsContact C-N 3.27Å; N75-Q77 HydrophobicContact CB-CG 3.93Å; N75-Q77 WeakPolarHBondContact O-CG 3.16Å; N75-Q77 PolarHBondContact O-N 3.25Å; N75-Q77 PolarHBondContact O-NE2 3.21Å
76H92.6Very high93.4Very high162 Ų16247.8 Ų47.875%0.7523%0.233SC*.THydrogen-bonded Turntrans55.635.4-178.6-55.1-70.5000114.3I72 I73I72-H76 PolarHBondContact O-N 3.36Å; I72-H76 VanDerWaalsContact O-N 3.17Å; I73-H76 PolarHBondContact O-N 3.15Å
77Q92.4Very high93.4Very high46 Ų4647.7 Ų47.722%0.21523%0.233CC..  trans-102.614.4-174.6-61.7-56.8-52.800114.4F47 I72 N75 N79 N80 V81F47-Q77 HydrophobicContact CE1-CG 3.91Å; F47-Q77 HydrophobicContact CE2-CG 4.24Å; F47-Q77 HydrophobicContact CZ-CB 4.36Å; F47-Q77 HydrophobicContact CZ-CG 3.58Å; I72-Q77 HydrophobicContact CG2-CB 4.23Å; I72-Q77 PolarHBondContact O-N 3.07Å; N75-Q77 VanDerWaalsContact C-N 3.27Å; N75-Q77 HydrophobicContact CB-CG 3.93Å; N75-Q77 WeakPolarHBondContact O-CG 3.16Å; N75-Q77 PolarHBondContact O-N 3.25Å; N75-Q77 PolarHBondContact O-NE2 3.21Å; Q77-N79 VanDerWaalsContact C-N 3.33Å; Q77-N79 PolarHBondContact O-N 3.18Å; Q77-N80 HydrophobicContact CB-CB 4.4Å; Q77-N80 WeakPolarHBondContact O-CB 3.39Å; Q77-N80 PolarHBondContact O-N 3.34Å; Q77-N80 VanDerWaalsContact O-N 3.13Å; Q77-N80 PolarHBondContact OE1-ND2 3.04Å; Q77-N80 PolarHBondContact OE1-OD1 3.13Å; Q77-V81 PolarHBondContact O-N 3.01Å
78I93.4Very high93.3Very high43 Ų4347.5 Ų47.522%0.22123%0.232CC..Hα-helixtrans-55.1-50.4-177.6-60.5161.7000110.5I72 I73 N80 V81 I82 V344 F345I72-I78 HydrophobicContact CG2-CB 4.35Å; I72-I78 HydrophobicContact CG2-CG1 3.89Å; I73-I78 HydrophobicContact CG1-CD1 4.06Å; I73-I78 HydrophobicContact CG1-CG1 4.24Å; I78-N80 VanDerWaalsContact C-N 3.3Å; I78-N80 PolarHBondContact O-N 3.31Å; I78-V81 PolarHBondContact O-N 3.35Å; I78-I82 HydrophobicContact CG2-CD1 3.78Å; I78-I82 WeakPolarHBondContact O-CG1 3.38Å; I78-I82 PolarHBondContact O-N 2.98Å; I78-V344 HydrophobicContact CD1-CG1 3.62Å; I78-V344 HydrophobicContact CG1-CG1 4.19Å; I78-V344 HydrophobicContact CG2-CG1 4.28Å; I78-F345 HydrophobicContact CB-CE1 4.39Å; I78-F345 HydrophobicContact CG1-CE1 4.13Å; I78-F345 HydrophobicContact CG1-CZ 4.11Å; I78-F345 HydrophobicContact CG2-CD1 4.33Å; I78-F345 HydrophobicContact CG2-CE1 3.97Å
79N92.5Very high93.3Very high128 Ų12847.3 Ų47.368%0.68423%0.232SC*.Hα-helixtrans-63.2-35.7-180-68.7-29.9000112.6Q77 N83Q77-N79 VanDerWaalsContact C-N 3.33Å; Q77-N79 PolarHBondContact O-N 3.18Å; N79-N83 WeakPolarHBondContact O-CB 3.4Å; N79-N83 PolarHBondContact O-N 3.08Å
80N92.3Very high93.3Very high46 Ų4647.6 Ų47.625%0.24623%0.234CC..Hα-helixtrans-65.2-44.4177.9-69.859000111Q77 I78 N83 E84 G179Q77-N80 HydrophobicContact CB-CB 4.4Å; Q77-N80 WeakPolarHBondContact O-CB 3.39Å; Q77-N80 PolarHBondContact O-N 3.34Å; Q77-N80 VanDerWaalsContact O-N 3.13Å; Q77-N80 PolarHBondContact OE1-ND2 3.04Å; Q77-N80 PolarHBondContact OE1-OD1 3.13Å; I78-N80 VanDerWaalsContact C-N 3.3Å; I78-N80 PolarHBondContact O-N 3.31Å; N80-N83 PolarHBondContact O-N 3.49Å; N80-E84 WeakPolarHBondContact O-CB 3.46Å; N80-E84 PolarHBondContact O-N 3.24Å; N80-G179 PolarHBondContact ND2-O 2.97Å
81V93.4Very high93.3Very high5 Ų544.7 Ų44.73%0.0322%0.219CC..Hα-helixtrans-68.3-43.4179.8173.90000111.9L67 I72 Q77 I78 N83 E84 K85 L109 M111 F348L67-V81 HydrophobicContact CD1-CG1 3.74Å; L67-V81 HydrophobicContact CD1-CG2 4.34Å; I72-V81 HydrophobicContact CD1-CG1 4.33Å; I72-V81 HydrophobicContact CD1-CG2 3.89Å; I72-V81 HydrophobicContact CG1-CG2 3.99Å; I72-V81 HydrophobicContact CG2-CG2 4.17Å; Q77-V81 PolarHBondContact O-N 3.01Å; I78-V81 PolarHBondContact O-N 3.35Å; V81-N83 VanDerWaalsContact C-N 3.33Å; V81-N83 PolarHBondContact O-N 3.24Å; V81-E84 PolarHBondContact O-N 2.85Å; V81-K85 PolarHBondContact O-N 2.82Å; V81-L109 HydrophobicContact CG1-CD1 3.89Å; V81-M111 HydrophobicContact CG1-CE 4.3Å; V81-F348 HydrophobicContact CG1-CD2 4.02Å; V81-F348 HydrophobicContact CG1-CE2 3.85Å
82I92.8Very high93.2Very high13 Ų1345.1 Ų45.17%0.06722%0.224CC..Hα-helixtrans-63-43.2175.6-65.9169.4000110.1I78 K85 R86 E347I78-I82 HydrophobicContact CG2-CD1 3.78Å; I78-I82 WeakPolarHBondContact O-CG1 3.38Å; I78-I82 PolarHBondContact O-N 2.98Å; I82-K85 PolarHBondContact O-N 2.92Å; I82-R86 HydrophobicContact CG2-CG 4.5Å; I82-R86 WeakPolarHBondContact O-CB 3.49Å; I82-R86 VanDerWaalsContact O-CG 3.27Å; I82-R86 WeakPolarHBondContact O-CG 3.48Å; I82-R86 PolarHBondContact O-N 3.35Å; I82-E347 HydrophobicContact CD1-CB 4.3Å; I82-E347 HydrophobicContact CG2-CB 4.11Å
83N92.8Very high93.3Very high29 Ų2945.3 Ų45.316%0.15523%0.225CC..Hα-helixtrans-67.4-39.5177.9-17867.7000112.3Y22 N79 N80 V81 R86 I87 A181Y22-N83 PolarHBondContact OH-OD1 2.89Å; N79-N83 WeakPolarHBondContact O-CB 3.4Å; N79-N83 PolarHBondContact O-N 3.08Å; N80-N83 PolarHBondContact O-N 3.49Å; V81-N83 VanDerWaalsContact C-N 3.33Å; V81-N83 PolarHBondContact O-N 3.24Å; N83-R86 PolarHBondContact O-N 3.13Å; N83-I87 VanDerWaalsContact ND2-CD1 3.32Å; N83-I87 WeakPolarHBondContact ND2-CD1 3.44Å; N83-I87 WeakPolarHBondContact O-CG1 3.4Å; N83-I87 PolarHBondContact O-N 3.16Å; N83-A181 PolarHBondContact ND2-O 3.06Å
84E94.5Very high93.5Very high7 Ų744.6 Ų44.63%0.03322%0.223CC..Hα-helixtrans-55.9-54173.3-179.8179.1-167.600110.3K65 N80 V81 R86 I87 L88 M111 L178K65-E84 IonicContact NZ-OE1 2.94Å; K65-E84 PolarHBondContact NZ-OE1 3.29Å; K65-E84 IonicContact NZ-OE2 2.99Å; K65-E84 PolarHBondContact NZ-OE2 3.2Å; N80-E84 WeakPolarHBondContact O-CB 3.46Å; N80-E84 PolarHBondContact O-N 3.24Å; V81-E84 PolarHBondContact O-N 2.85Å; E84-R86 VanDerWaalsContact C-N 3.3Å; E84-R86 PolarHBondContact O-N 3.45Å; E84-I87 PolarHBondContact O-N 3.16Å; E84-L88 HydrophobicContact CG-CD1 3.85Å; E84-L88 WeakPolarHBondContact O-CB 3.25Å; E84-L88 PolarHBondContact O-N 2.97Å; E84-M111 HydrophobicContact CG-CE 4.32Å; E84-L178 HydrophobicContact CG-CB 4.17Å; E84-L178 PolarHBondContact OE1-N 3.32Å
85K93.1Very high93.7Very high10 Ų1037.6 Ų37.64%0.04319%0.193CC..Hα-helixtrans-50.7-53.1175.5174.2-167.8149.6-174.30110.2V81 I82 I87 L88 A89 L99 T102 M111 E347 F348V81-K85 PolarHBondContact O-N 2.82Å; I82-K85 PolarHBondContact O-N 2.92Å; K85-I87 PolarHBondContact O-N 3.3Å; K85-L88 PolarHBondContact O-N 2.9Å; K85-A89 WeakPolarHBondContact O-CB 3.32Å; K85-A89 PolarHBondContact O-N 3.29Å; K85-L99 HydrophobicContact CG-CD2 4.44Å; K85-T102 HydrophobicContact CD-CG2 4.28Å; K85-T102 HydrophobicContact CG-CG2 4.05Å; K85-M111 HydrophobicContact CB-CE 3.91Å; K85-E347 PolarHBondContact NZ-O 2.64Å; K85-F348 HydrophobicContact CB-CD2 4.44Å; K85-F348 HydrophobicContact CB-CE2 4.3Å; K85-F348 HydrophobicContact CD-CD2 4.02Å; K85-F348 HydrophobicContact CD-CE2 4.34Å; K85-F348 HydrophobicContact CD-CG 4.27Å; K85-F348 WeakPolarHBondContact CD-O 3.32Å; K85-F348 WeakPolarHBondContact CE-O 3.47Å; K85-F348 PolarHBondContact NZ-O 3.5Å
86R93.1Very high93.9Very high60 Ų6034.2 Ų34.223%0.22617%0.174CC..Hα-helixtrans-62.8-41.9-174.8-74174.365.4167.35112.6Y22 I82 N83 E84 S90Y22-R86 HydrophobicContact CD2-CB 4.07Å; Y22-R86 HydrophobicContact CE2-CB 3.79Å; Y22-R86 PolarHBondContact O-NH2 3.46Å; I82-R86 HydrophobicContact CG2-CG 4.5Å; I82-R86 WeakPolarHBondContact O-CB 3.49Å; I82-R86 VanDerWaalsContact O-CG 3.27Å; I82-R86 WeakPolarHBondContact O-CG 3.48Å; I82-R86 PolarHBondContact O-N 3.35Å; N83-R86 PolarHBondContact O-N 3.13Å; E84-R86 VanDerWaalsContact C-N 3.3Å; E84-R86 PolarHBondContact O-N 3.45Å; R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.85Å; R86-S90 PolarHBondContact O-OG 3.2Å
87I95Very high94.2Very high0 Ų026.6 Ų26.60%014%0.139CC..Hα-helixtrans-64.5-53.5176.2-68.9174.7000109.6Y22 N83 E84 K85 A89 S90 C91 I155 L178 A181Y22-I87 HydrophobicContact CE2-CG1 3.87Å; N83-I87 VanDerWaalsContact ND2-CD1 3.32Å; N83-I87 WeakPolarHBondContact ND2-CD1 3.44Å; N83-I87 WeakPolarHBondContact O-CG1 3.4Å; N83-I87 PolarHBondContact O-N 3.16Å; E84-I87 PolarHBondContact O-N 3.16Å; K85-I87 PolarHBondContact O-N 3.3Å; I87-A89 VanDerWaalsContact C-N 3.33Å; I87-A89 PolarHBondContact O-N 3.06Å; I87-S90 PolarHBondContact O-N 3.04Å; I87-C91 PolarHBondContact O-N 3.48Å; I87-C91 PolarHBondContact O-SG 3.2Å; I87-C91 VanDerWaalsContact O-SG 3.33Å; I87-I155 HydrophobicContact CD1-CG2 4.2Å; I87-I155 HydrophobicContact CG1-CD1 4.4Å; I87-I155 HydrophobicContact CG2-CD1 3.86Å; I87-L178 HydrophobicContact CG2-CD1 3.93Å; I87-L178 HydrophobicContact CG2-CD2 4.32Å; I87-L178 HydrophobicContact CG2-CG 4.5Å; I87-A181 HydrophobicContact CD1-CB 3.84Å
88L94.3Very high94.3Very high3 Ų326.8 Ų26.82%0.01614%0.14CC..Hα-helixtrans-57.7-43.1-179.4-86.9172.2000112.8E84 K85 S90 I97 L99 M111 L178E84-L88 HydrophobicContact CG-CD1 3.85Å; E84-L88 WeakPolarHBondContact O-CB 3.25Å; E84-L88 PolarHBondContact O-N 2.97Å; K85-L88 PolarHBondContact O-N 2.9Å; L88-S90 PolarHBondContact O-N 3.32Å; L88-I97 HydrophobicContact CD2-CG2 3.69Å; L88-L99 HydrophobicContact CB-CB 3.91Å; L88-L99 HydrophobicContact CB-CD2 3.89Å; L88-M111 HydrophobicContact CD1-SD 4.35Å; L88-L178 HydrophobicContact CD2-CD1 3.4Å; L88-L178 VanDerWaalsContact CD2-CD1 3.4Å; L88-L178 HydrophobicContact CD2-CG 4.44Å; L88-L178 HydrophobicContact CG-CB 4.28Å; L88-L178 HydrophobicContact CG-CD1 3.6Å; L88-L178 HydrophobicContact CG-CG 4.46Å
89A93.3Very high94.3Very high17 Ų1724.8 Ų24.814%0.1413%0.13CC..Hα-helixtrans-64.9-25.9178.600000113.2M27 K85 I87 L99M27-A89 HydrophobicContact CE-CB 3.63Å; M27-A89 HydrophobicContact CG-CB 4.08Å; M27-A89 HydrophobicContact SD-CB 3.79Å; K85-A89 WeakPolarHBondContact O-CB 3.32Å; K85-A89 PolarHBondContact O-N 3.29Å; I87-A89 VanDerWaalsContact C-N 3.33Å; I87-A89 PolarHBondContact O-N 3.06Å; A89-L99 HydrophobicContact CB-CD2 4Å
90S93.8Very high94.4Very high7 Ų724.4 Ų24.45%0.04912%0.12CC..Hα-helixtrans-98.6-20.3-175.1-53.10000112.7F18 Y22 R86 I87 L88F18-S90 VanDerWaalsContact CD2-C 3.49Å; F18-S90 VanDerWaalsContact CD2-CB 3.4Å; F18-S90 WeakPolarHBondContact CD2-O 3.49Å; F18-S90 VanDerWaalsContact CE2-CB 3.44Å; Y22-S90 WeakPolarHBondContact CA-OG 3.33Å; Y22-S90 WeakPolarHBondContact CB-OG 3.45Å; Y22-S90 PolarHBondContact N-OG 3.43Å; Y22-S90 VanDerWaalsContact N-OG 3.17Å; R86-S90 WeakPolarHBondContact O-CB 3.49Å; R86-S90 PolarHBondContact O-N 2.85Å; R86-S90 PolarHBondContact O-OG 3.2Å; I87-S90 PolarHBondContact O-N 3.04Å; L88-S90 PolarHBondContact O-N 3.32Å
91C93Very high94.4Very high4 Ų423.2 Ų23.23%0.02711%0.114CC..  trans-80.8136.5177.6-73.80000111.2I87 I96 Y149I87-C91 PolarHBondContact O-N 3.48Å; I87-C91 PolarHBondContact O-SG 3.2Å; I87-C91 VanDerWaalsContact O-SG 3.33Å; C91-I96 HydrophobicContact CB-CG2 4.35Å; C91-Y149 HydrophobicContact CB-CE1 4.33Å
92N90.6Very high94.4Very high99 Ų9923 Ų2353%0.52911%0.113SC..  trans-141.299167.6179.86.8000107.6Y149N92-Y149 PolarHBondContact N-OH 3.38Å
93F96.9Very high94.5Very high5 Ų522.9 Ų22.92%0.02211%0.112CC..  trans-148.2143.2-177-167.2-110.9000111.2L10 Y11 F95 I96 L145 Y149 Y301L10-F93 HydrophobicContact CD2-CE2 4.47Å; Y11-F93 HydrophobicContact CD1-CE2 4.4Å; Y11-F93 AromaticContact CE1-CE2 3.64Å; Y11-F93 HydrophobicContact CE1-CE2 3.64Å; Y11-F93 AromaticContact CE1-CZ 3.98Å; Y11-F93 HydrophobicContact CE1-CZ 3.98Å; F93-F95 HydrophobicContact CD1-CB 4.38Å; F93-F95 HydrophobicContact CE1-CB 4.38Å; F93-F95 AromaticContact CE1-CD2 3.95Å; F93-F95 HydrophobicContact CE1-CD2 3.95Å; F93-F95 PolarHBondContact O-N 3.43Å; F93-I96 HydrophobicContact CB-CB 4.33Å; F93-I96 HydrophobicContact CB-CD1 4.11Å; F93-I96 HydrophobicContact CB-CG1 4.26Å; F93-I96 HydrophobicContact CD1-CD1 4.48Å; F93-I96 HydrophobicContact CD1-CG1 4.35Å; F93-I96 PolarHBondContact O-N 2.56Å; F93-L145 HydrophobicContact CE1-CB 4.24Å; F93-L145 VanDerWaalsContact CE1-O 3.29Å; F93-L145 WeakPolarHBondContact CE1-O 3.34Å; F93-L145 HydrophobicContact CZ-CB 4.28Å; F93-Y149 HydrophobicContact CB-CD1 3.73Å; F93-Y149 HydrophobicContact CB-CD2 4.44Å; F93-Y149 HydrophobicContact CB-CE1 3.63Å; F93-Y149 HydrophobicContact CB-CE2 4.37Å; F93-Y149 HydrophobicContact CB-CG 4.11Å; F93-Y149 HydrophobicContact CD1-CD1 4.17Å; F93-Y149 HydrophobicContact CD1-CG 4.11Å; F93-Y149 HydrophobicContact CD2-CD1 4.25Å; F93-Y149 AromaticContact CD2-CD2 3.7Å; F93-Y149 HydrophobicContact CD2-CD2 3.7Å; F93-Y149 HydrophobicContact CD2-CE2 4.11Å; F93-Y149 AromaticContact CD2-CG 3.74Å; F93-Y149 HydrophobicContact CD2-CG 3.74Å; F93-Y149 HydrophobicContact CE2-CD2 4.16Å; F93-Y149 HydrophobicContact CE2-CG 4.2Å; F93-Y149 AromaticContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD2 4.09Å; F93-Y149 HydrophobicContact CG-CE1 4.17Å; F93-Y149 HydrophobicContact CG-CE2 4.46Å; F93-Y149 AromaticContact CG-CG 3.7Å; F93-Y149 HydrophobicContact CG-CG 3.7Å; F93-Y301 HydrophobicContact CD2-CE2 4.05Å; F93-Y301 HydrophobicContact CE2-CD2 4.01Å; F93-Y301 AromaticContact CE2-CE2 3.34Å; F93-Y301 HydrophobicContact CE2-CE2 3.34Å; F93-Y301 AromaticContact CZ-CD2 3.86Å; F93-Y301 HydrophobicContact CZ-CD2 3.86Å; F93-Y301 AromaticContact CZ-CE2 3.68Å; F93-Y301 HydrophobicContact CZ-CE2 3.68Å
94T96.7Very high94.5Very high31 Ų3124.4 Ų24.419%0.1912%0.117CC..THydrogen-bonded Turntrans-48.6-43.5-173.2-57.90000113.1K174 Y301 L303T94-K174 VanDerWaalsContact O-CD 3.24Å; T94-K174 WeakPolarHBondContact O-CD 3.26Å; T94-K174 WeakPolarHBondContact O-CE 3.23Å; T94-K174 PolarHBondContact O-NZ 2.67Å; T94-Y301 WeakPolarHBondContact CG2-O 3.42Å; T94-Y301 WeakPolarHBondContact OG1-CE2 3.44Å; T94-Y301 PolarHBondContact OG1-O 2.71Å; T94-L303 HydrophobicContact CG2-CD1 4.11Å; T94-L303 HydrophobicContact CG2-CD2 3.58Å; T94-L303 HydrophobicContact CG2-CG 3.89Å
95F98.4Very high94.4Very high0 Ų025.7 Ų25.70%012%0.124CC..THydrogen-bonded Turntrans-102.219-174.6-54.6-55.8000114.1F93 Q142 L145 A146 F172 L175 L300 Y301 L303F93-F95 HydrophobicContact CD1-CB 4.38Å; F93-F95 HydrophobicContact CE1-CB 4.38Å; F93-F95 AromaticContact CE1-CD2 3.95Å; F93-F95 HydrophobicContact CE1-CD2 3.95Å; F93-F95 PolarHBondContact O-N 3.43Å; F95-Q142 HydrophobicContact CD1-CB 3.99Å; F95-Q142 HydrophobicContact CD1-CG 3.96Å; F95-Q142 HydrophobicContact CD2-CB 4.31Å; F95-Q142 HydrophobicContact CE1-CB 4.15Å; F95-Q142 HydrophobicContact CE1-CG 3.61Å; F95-Q142 HydrophobicContact CE2-CB 4.45Å; F95-Q142 HydrophobicContact CE2-CG 4.28Å; F95-Q142 HydrophobicContact CG-CB 4.08Å; F95-Q142 HydrophobicContact CG-CG 4.44Å; F95-Q142 HydrophobicContact CZ-CB 4.37Å; F95-Q142 HydrophobicContact CZ-CG 3.79Å; F95-L145 HydrophobicContact CD2-CB 3.86Å; F95-L145 HydrophobicContact CD2-CD1 4.32Å; F95-L145 HydrophobicContact CE2-CB 4.03Å; F95-L145 HydrophobicContact CE2-CD1 3.62Å; F95-L145 HydrophobicContact CE2-CG 4.47Å; F95-A146 HydrophobicContact CB-CB 4.04Å; F95-F172 AromaticContact CE1-CD1 3.93Å; F95-F172 HydrophobicContact CE1-CD1 3.93Å; F95-L175 WeakPolarHBondContact O-CB 3.17Å; F95-L175 PolarHBondContact O-N 2.95Å; F95-L300 HydrophobicContact CZ-CG 4.26Å; F95-L300 WeakPolarHBondContact CZ-O 3.46Å; F95-Y301 HydrophobicContact CE2-CD2 4.43Å; F95-L303 HydrophobicContact CE1-CD2 3.7Å; F95-L303 HydrophobicContact CZ-CD2 4.15Å
96I98.2Very high94.4Very high3 Ų326.7 Ų26.72%0.01513%0.131CC..BIsolated β-bridgetrans-117.3138.6171.7-64.8177.1000108.5C91 F93 Q98 Y149 L150 L175 L178C91-I96 HydrophobicContact CB-CG2 4.35Å; F93-I96 HydrophobicContact CB-CB 4.33Å; F93-I96 HydrophobicContact CB-CD1 4.11Å; F93-I96 HydrophobicContact CB-CG1 4.26Å; F93-I96 HydrophobicContact CD1-CD1 4.48Å; F93-I96 HydrophobicContact CD1-CG1 4.35Å; F93-I96 PolarHBondContact O-N 2.56Å; I96-Q98 PolarHBondContact O-N 3.01Å; I96-Y149 HydrophobicContact CD1-CD1 3.5Å; I96-Y149 VanDerWaalsContact CD1-CD1 3.5Å; I96-Y149 HydrophobicContact CD1-CE1 3.72Å; I96-L150 HydrophobicContact CD1-CD1 4.43Å; I96-L150 HydrophobicContact CD1-CD2 3.71Å; I96-L150 HydrophobicContact CD1-CG 3.9Å; I96-L175 HydrophobicContact CG1-CB 4.48Å; I96-L178 HydrophobicContact CG2-CD1 4.23Å
97I97Very high94.4Very high3 Ų324.5 Ų24.52%0.01513%0.125CC..PPolyproline II helixtrans-62.9133.6179.5-158.370.6000110.6L88 I113 E114 V166 K174 L175L88-I97 HydrophobicContact CD2-CG2 3.69Å; I97-I113 HydrophobicContact CG1-CB 4.48Å; I97-I113 HydrophobicContact CG1-CD1 4.5Å; I97-E114 HydrophobicContact CD1-CB 3.64Å; I97-E114 HydrophobicContact CD1-CG 3.93Å; I97-E114 WeakPolarHBondContact CD1-O 3.46Å; I97-E114 HydrophobicContact CG1-CB 3.99Å; I97-V166 HydrophobicContact CD1-CG2 4.03Å; I97-K174 HydrophobicContact CB-CB 4.32Å; I97-K174 HydrophobicContact CD1-CB 3.81Å; I97-K174 HydrophobicContact CD1-CG 4.09Å; I97-L175 PolarHBondContact N-O 2.83Å
98Q95Very high94.4Very high49 Ų4926.3 Ų26.323%0.22913%0.132CC..PPolyproline II helixtrans-81.3132.6179.3-173.961.649.500111.3I96 Y100 I113 E114I96-Q98 PolarHBondContact O-N 3.01Å; Q98-Y100 HydrophobicContact CG-CD1 4.25Å; Q98-Y100 HydrophobicContact CG-CE1 3.98Å; Q98-I113 CarbonylContact O-C 3.6Å; Q98-I113 VanDerWaalsContact O-CA 3.27Å; Q98-I113 WeakPolarHBondContact O-CA 3.49Å; Q98-E114 HydrophobicContact CB-CB 4.19Å; Q98-E114 PolarHBondContact N-OE2 2.85Å; Q98-E114 PolarHBondContact O-N 3.32Å
99L94.9Very high94.4Very high2 Ų226.2 Ų26.21%0.0113%0.131CC..EExtended strand (participates in β ladder)trans-90.5124.7162.6178.266.7000109.7M27 K85 L88 A89 T102 M111 I113M27-L99 HydrophobicContact CE-CD2 4.13Å; M27-L99 HydrophobicContact CE-CG 4.06Å; M27-L99 HydrophobicContact SD-CD2 4.23Å; K85-L99 HydrophobicContact CG-CD2 4.44Å; L88-L99 HydrophobicContact CB-CB 3.91Å; L88-L99 HydrophobicContact CB-CD2 3.89Å; A89-L99 HydrophobicContact CB-CD2 4Å; L99-T102 HydrophobicContact CD1-CG2 3.95Å; L99-T102 HydrophobicContact CD2-CG2 3.95Å; L99-T102 HydrophobicContact CG-CG2 4.38Å; L99-M111 HydrophobicContact CD1-CB 3.79Å; L99-M111 HydrophobicContact CD1-CG 4.37Å; L99-I113 HydrophobicContact CB-CG2 4.41Å; L99-I113 HydrophobicContact CD1-CG2 3.67Å
100Y93.1Very high94.5Very high119 Ų11925.4 Ų25.447%0.46713%0.125SC..EExtended strand (participates in β ladder)trans-93.4-46.5179.2-67.8-68.9000112.5Y62 Q98 V112 E114Y62-Y100 AromaticContact CD1-CD2 3.56Å; Y62-Y100 HydrophobicContact CD1-CD2 3.56Å; Y62-Y100 AromaticContact CD1-CE2 3.67Å; Y62-Y100 HydrophobicContact CD1-CE2 3.67Å; Y62-Y100 HydrophobicContact CD1-CG 4.45Å; Y62-Y100 AromaticContact CE1-CD2 3.59Å; Y62-Y100 HydrophobicContact CE1-CD2 3.59Å; Y62-Y100 AromaticContact CE1-CE2 3.62Å; Y62-Y100 HydrophobicContact CE1-CE2 3.62Å; Y62-Y100 HydrophobicContact CE1-CG 4.13Å; Q98-Y100 HydrophobicContact CG-CD1 4.25Å; Q98-Y100 HydrophobicContact CG-CE1 3.98Å; Y100-V112 WeakPolarHBondContact CB-O 3.48Å; Y100-V112 PolarHBondContact N-O 2.68Å; Y100-E114 HydrophobicContact CE2-CB 4.07Å
101T93.4Very high94.5Very high21 Ų2125.1 Ų25.113%0.12912%0.122CC..EExtended strand (participates in β ladder)trans-160.8162.4179.5-1670000111A31 V112A31-T101 HydrophobicContact CB-CG2 3.94Å; T101-V112 HydrophobicContact CG2-CB 3.73Å; T101-V112 HydrophobicContact CG2-CG1 4.45Å; T101-V112 HydrophobicContact CG2-CG2 3.58Å; T101-V112 PolarHBondContact N-O 2.9Å; T101-V112 PolarHBondContact O-N 3.09Å
102T93.9Very high94.6Very high2 Ų225 Ų251%0.01212%0.122CC..EExtended strand (participates in β ladder)trans-128.7152.9172.560.80000110.6K85 L99 Y110 M111 F348K85-T102 HydrophobicContact CD-CG2 4.28Å; K85-T102 HydrophobicContact CG-CG2 4.05Å; L99-T102 HydrophobicContact CD1-CG2 3.95Å; L99-T102 HydrophobicContact CD2-CG2 3.95Å; L99-T102 HydrophobicContact CG-CG2 4.38Å; T102-Y110 WeakPolarHBondContact CA-O 3.43Å; T102-Y110 WeakPolarHBondContact CB-O 3.36Å; T102-M111 HydrophobicContact CG2-CB 4.38Å; T102-M111 HydrophobicContact CG2-CG 3.99Å; T102-F348 HydrophobicContact CG2-CE1 4.26Å; T102-F348 HydrophobicContact CG2-CZ 4.08Å; T102-F348 PolarHBondContact OG1-O 2.76Å
103F93.8Very high94.8Very high10 Ų1020.9 Ų20.94%0.04410%0.099CC..EExtended strand (participates in β ladder)trans-154.1168.917257.8-87.7000110.2A31 L33 F36 L64 Y110 V112 F348A31-F103 HydrophobicContact CB-CD1 3.92Å; A31-F103 HydrophobicContact CB-CE1 4.29Å; A31-F103 WeakPolarHBondContact O-CB 2.98Å; A31-F103 WeakPolarHBondContact O-CG 3.43Å; L33-F103 HydrophobicContact CB-CE2 4.02Å; L33-F103 HydrophobicContact CD1-CE2 4.5Å; F36-F103 HydrophobicContact CD2-CE1 4.26Å; F36-F103 HydrophobicContact CD2-CZ 4.16Å; F36-F103 AromaticContact CE2-CE1 3.7Å; F36-F103 HydrophobicContact CE2-CE1 3.7Å; F36-F103 HydrophobicContact CE2-CZ 4.06Å; L64-F103 HydrophobicContact CD1-CE1 4.06Å; L64-F103 HydrophobicContact CD1-CZ 3.92Å; F103-Y110 AromaticContact CD2-CD2 3.4Å; F103-Y110 HydrophobicContact CD2-CD2 3.4Å; F103-Y110 VanDerWaalsContact CD2-CD2 3.4Å; F103-Y110 HydrophobicContact CD2-CE2 4.19Å; F103-Y110 AromaticContact CD2-CG 3.66Å; F103-Y110 HydrophobicContact CD2-CG 3.66Å; F103-Y110 HydrophobicContact CE1-CG 4.41Å; F103-Y110 VanDerWaalsContact CE2-CB 3.43Å; F103-Y110 AromaticContact CE2-CD1 3.8Å; F103-Y110 HydrophobicContact CE2-CD1 3.8Å; F103-Y110 AromaticContact CE2-CD2 3.31Å; F103-Y110 HydrophobicContact CE2-CD2 3.31Å; F103-Y110 HydrophobicContact CE2-CE1 4.37Å; F103-Y110 AromaticContact CE2-CE2 3.95Å; F103-Y110 HydrophobicContact CE2-CE2 3.95Å; F103-Y110 AromaticContact CE2-CG 3.22Å; F103-Y110 HydrophobicContact CE2-CG 3.22Å; F103-Y110 HydrophobicContact CG-CD2 4.35Å; F103-Y110 HydrophobicContact CG-CG 4.41Å; F103-Y110 VanDerWaalsContact CZ-CB 3.5Å; F103-Y110 HydrophobicContact CZ-CD1 4.01Å; F103-Y110 HydrophobicContact CZ-CD2 4.22Å; F103-Y110 AromaticContact CZ-CG 3.66Å; F103-Y110 HydrophobicContact CZ-CG 3.66Å; F103-Y110 PolarHBondContact N-O 3.39Å; F103-Y110 WeakPolarHBondContact O-CA 3.4Å; F103-Y110 WeakPolarHBondContact O-CB 3.26Å; F103-Y110 PolarHBondContact O-N 2.89Å; F103-V112 HydrophobicContact CD1-CG2 4.27Å; F103-V112 HydrophobicContact CE1-CG2 3.63Å; F103-F348 WeakPolarHBondContact O-CE1 3.17Å
104K92.9Very high94.8Very high61 Ų6121.6 Ų21.627%0.26510%0.103SC..EExtended strand (participates in β ladder)trans-138.5150.3178.961-178.1-179.4177.40110.2Y108 L109 F345 D346K104-Y108 WeakPolarHBondContact CA-O 3.48Å; K104-L109 HydrophobicContact CB-CD2 3.68Å; K104-L109 HydrophobicContact CD-CD2 4.39Å; K104-F345 PolarHBondContact NZ-O 3.26Å; K104-D346 IonicContact NZ-OD1 3.71Å; K104-D346 PolarHBondContact NZ-OD1 2.84Å
105D92.4Very high94.6Very high34 Ų3421.3 Ų21.318%0.18210%0.098CC..  trans-115-165.7162.766.129.2000109.2K69 T107 Y108 Y110 I335K69-D105 WeakPolarHBondContact CE-O 3.45Å; K69-D105 PolarHBondContact NZ-O 2.98Å; D105-T107 PolarHBondContact O-N 3.31Å; D105-T107 WeakPolarHBondContact OD1-CA 3.5Å; D105-T107 PolarHBondContact OD1-N 2.87Å; D105-Y108 PolarHBondContact N-O 3.3Å; D105-Y108 PolarHBondContact OD1-N 2.73Å; D105-Y110 HydrophobicContact CB-CE2 4.22Å; D105-Y110 VanDerWaalsContact OD2-CE2 3.23Å; D105-Y110 WeakPolarHBondContact OD2-CE2 3.46Å; D105-Y110 VanDerWaalsContact OD2-CZ 3.27Å; D105-Y110 PolarHBondContact OD2-OH 2.78Å; D105-I335 HydrophobicContact CB-CG2 4.37Å; D105-I335 WeakPolarHBondContact OD2-CD1 3.49Å
106T92.8Very high94.4Very high31 Ų3122 Ų2219%0.1910%0.104CC..SBendtrans-62.9-16.7179.355.80000114.7I335 N336 E339T106-I335 WeakPolarHBondContact OG1-CG2 3.44Å; T106-N336 VanDerWaalsContact CB-O 3.27Å; T106-N336 WeakPolarHBondContact CB-O 3.25Å; T106-N336 WeakPolarHBondContact CG2-O 3.39Å; T106-N336 PolarHBondContact OG1-O 2.91Å; T106-E339 WeakPolarHBondContact CA-OE2 3.35Å; T106-E339 HydrophobicContact CG2-CB 4.29Å
107T93.5Very high94Very high14 Ų1422.9 Ų22.99%0.08611%0.109CC..SBendtrans-129.3-37-165-52.10000113.5K69 D105 N336K69-T107 WeakPolarHBondContact CB-O 3.49Å; K69-T107 VanDerWaalsContact CG-O 3.32Å; K69-T107 WeakPolarHBondContact CG-O 2.88Å; K69-T107 PolarHBondContact N-O 3.45Å; D105-T107 PolarHBondContact O-N 3.31Å; D105-T107 WeakPolarHBondContact OD1-CA 3.5Å; D105-T107 PolarHBondContact OD1-N 2.87Å; T107-N336 WeakPolarHBondContact OG1-CB 3.49Å; T107-N336 PolarHBondContact OG1-N 3Å
108Y94.4Very high93.7Very high38 Ų3823.5 Ų23.515%0.14912%0.116CC..EExtended strand (participates in β ladder)trans-126.1154.7-172.9-56.5-80.1000112.2I66 L67 K104 D105 L333 N334 I335I66-Y108 HydrophobicContact CG2-CD1 3.72Å; I66-Y108 HydrophobicContact CG2-CE1 4.49Å; I66-Y108 HydrophobicContact CG2-CG 3.81Å; L67-Y108 CarbonylContact O-C 3.44Å; L67-Y108 VanDerWaalsContact O-CA 3.24Å; L67-Y108 WeakPolarHBondContact O-CA 3.37Å; K104-Y108 WeakPolarHBondContact CA-O 3.48Å; D105-Y108 PolarHBondContact N-O 3.3Å; D105-Y108 PolarHBondContact OD1-N 2.73Å; Y108-L333 HydrophobicContact CE2-CB 4.31Å; Y108-L333 HydrophobicContact CE2-CD2 4.33Å; Y108-N334 WeakPolarHBondContact CE2-O 3.17Å; Y108-N334 PolarHBondContact OH-O 2.77Å; Y108-I335 HydrophobicContact CD2-CG1 4.31Å; Y108-I335 HydrophobicContact CE2-CG1 4.22Å
109L94.3Very high93.6Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-105143.7165.2-51.1176.2000108.5I66 L67 K69 I72 V81 K104 F345 F348I66-L109 WeakPolarHBondContact CA-O 3.29Å; L67-L109 HydrophobicContact CB-CB 4.3Å; L67-L109 PolarHBondContact N-O 3.22Å; L67-L109 PolarHBondContact O-N 3.38Å; K69-L109 HydrophobicContact CD-CD2 4.45Å; K69-L109 HydrophobicContact CG-CD2 4.07Å; K69-L109 HydrophobicContact CG-CG 4.04Å; I72-L109 HydrophobicContact CD1-CD1 3.74Å; I72-L109 HydrophobicContact CD1-CG 4.49Å; V81-L109 HydrophobicContact CG1-CD1 3.89Å; K104-L109 HydrophobicContact CB-CD2 3.68Å; K104-L109 HydrophobicContact CD-CD2 4.39Å; L109-F345 HydrophobicContact CD1-CD1 3.53Å; L109-F345 HydrophobicContact CD1-CE1 3.71Å; L109-F345 HydrophobicContact CD1-CG 4.07Å; L109-F345 HydrophobicContact CD1-CZ 4.39Å; L109-F345 HydrophobicContact CD2-CB 3.94Å; L109-F345 HydrophobicContact CD2-CD1 4.3Å; L109-F345 HydrophobicContact CD2-CD2 4.49Å; L109-F345 HydrophobicContact CD2-CG 4Å; L109-F345 HydrophobicContact CG-CD1 4.46Å; L109-F348 HydrophobicContact CB-CD1 4.08Å; L109-F348 HydrophobicContact CB-CD2 4.38Å; L109-F348 HydrophobicContact CB-CE1 3.7Å; L109-F348 HydrophobicContact CB-CE2 4Å; L109-F348 HydrophobicContact CB-CG 4.41Å; L109-F348 HydrophobicContact CB-CZ 3.67Å; L109-F348 HydrophobicContact CD1-CD2 3.84Å; L109-F348 HydrophobicContact CD1-CE2 4.09Å; L109-F348 HydrophobicContact CD1-CG 4.06Å; L109-F348 HydrophobicContact CD2-CB 4.4Å; L109-F348 HydrophobicContact CD2-CD1 3.89Å; L109-F348 HydrophobicContact CD2-CE1 4.36Å; L109-F348 HydrophobicContact CD2-CG 4.03Å; L109-F348 HydrophobicContact CG-CD1 4.38Å; L109-F348 HydrophobicContact CG-CE1 4.48Å; L109-F348 HydrophobicContact CG-CG 4.4Å
110Y94.9Very high93.5Very high1 Ų124.8 Ų24.80%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-127.2131.5-173.5-60.5-88.6000110.8L33 L64 K65 I66 T102 F103 D105 F348L33-Y110 HydrophobicContact CD1-CD1 4.39Å; L33-Y110 HydrophobicContact CD1-CE1 3.9Å; L33-Y110 HydrophobicContact CD2-CE1 4.47Å; L64-Y110 HydrophobicContact CD1-CD1 4.16Å; L64-Y110 HydrophobicContact CD2-CD1 3.99Å; L64-Y110 HydrophobicContact CD2-CE1 4.45Å; L64-Y110 HydrophobicContact CG-CD1 4.16Å; K65-Y110 WeakPolarHBondContact O-CA 3.44Å; I66-Y110 HydrophobicContact CB-CD1 4.38Å; I66-Y110 HydrophobicContact CB-CE1 4.34Å; I66-Y110 HydrophobicContact CD1-CD1 4.49Å; I66-Y110 HydrophobicContact CD1-CE1 4.14Å; I66-Y110 HydrophobicContact CG1-CD1 3.88Å; I66-Y110 HydrophobicContact CG1-CE1 3.94Å; I66-Y110 HydrophobicContact CG2-CD1 4.12Å; I66-Y110 HydrophobicContact CG2-CE1 3.69Å; T102-Y110 WeakPolarHBondContact CA-O 3.43Å; T102-Y110 WeakPolarHBondContact CB-O 3.36Å; F103-Y110 AromaticContact CD2-CD2 3.4Å; F103-Y110 HydrophobicContact CD2-CD2 3.4Å; F103-Y110 VanDerWaalsContact CD2-CD2 3.4Å; F103-Y110 HydrophobicContact CD2-CE2 4.19Å; F103-Y110 AromaticContact CD2-CG 3.66Å; F103-Y110 HydrophobicContact CD2-CG 3.66Å; F103-Y110 HydrophobicContact CE1-CG 4.41Å; F103-Y110 VanDerWaalsContact CE2-CB 3.43Å; F103-Y110 AromaticContact CE2-CD1 3.8Å; F103-Y110 HydrophobicContact CE2-CD1 3.8Å; F103-Y110 AromaticContact CE2-CD2 3.31Å; F103-Y110 HydrophobicContact CE2-CD2 3.31Å; F103-Y110 HydrophobicContact CE2-CE1 4.37Å; F103-Y110 AromaticContact CE2-CE2 3.95Å; F103-Y110 HydrophobicContact CE2-CE2 3.95Å; F103-Y110 AromaticContact CE2-CG 3.22Å; F103-Y110 HydrophobicContact CE2-CG 3.22Å; F103-Y110 HydrophobicContact CG-CD2 4.35Å; F103-Y110 HydrophobicContact CG-CG 4.41Å; F103-Y110 VanDerWaalsContact CZ-CB 3.5Å; F103-Y110 HydrophobicContact CZ-CD1 4.01Å; F103-Y110 HydrophobicContact CZ-CD2 4.22Å; F103-Y110 AromaticContact CZ-CG 3.66Å; F103-Y110 HydrophobicContact CZ-CG 3.66Å; F103-Y110 PolarHBondContact N-O 3.39Å; F103-Y110 WeakPolarHBondContact O-CA 3.4Å; F103-Y110 WeakPolarHBondContact O-CB 3.26Å; F103-Y110 PolarHBondContact O-N 2.89Å; D105-Y110 HydrophobicContact CB-CE2 4.22Å; D105-Y110 VanDerWaalsContact OD2-CE2 3.23Å; D105-Y110 WeakPolarHBondContact OD2-CE2 3.46Å; D105-Y110 VanDerWaalsContact OD2-CZ 3.27Å; D105-Y110 PolarHBondContact OD2-OH 2.78Å; Y110-F348 WeakPolarHBondContact O-CE1 3.25Å
111M94.8Very high93.7Very high0 Ų019.1 Ų19.10%011%0.11CC..EExtended strand (participates in β ladder)trans-119.9119.9169.6-57.4-178178.500109.6L64 K65 L67 V81 E84 K85 L88 L99 T102 I113 F348L64-M111 WeakPolarHBondContact CA-O 3.37Å; K65-M111 HydrophobicContact CB-CB 4.21Å; K65-M111 HydrophobicContact CD-SD 4.36Å; K65-M111 PolarHBondContact N-O 2.95Å; K65-M111 PolarHBondContact O-N 3.43Å; L67-M111 HydrophobicContact CD1-CE 4.17Å; V81-M111 HydrophobicContact CG1-CE 4.3Å; E84-M111 HydrophobicContact CG-CE 4.32Å; K85-M111 HydrophobicContact CB-CE 3.91Å; L88-M111 HydrophobicContact CD1-SD 4.35Å; L99-M111 HydrophobicContact CD1-CB 3.79Å; L99-M111 HydrophobicContact CD1-CG 4.37Å; T102-M111 HydrophobicContact CG2-CB 4.38Å; T102-M111 HydrophobicContact CG2-CG 3.99Å; M111-I113 HydrophobicContact CB-CG2 4.25Å; M111-F348 HydrophobicContact CE-CE2 3.56Å; M111-F348 HydrophobicContact CE-CZ 4.04Å; M111-F348 HydrophobicContact CG-CE2 4.32Å; M111-F348 HydrophobicContact CG-CZ 3.81Å
112V95.5Very high93.8Very high2 Ų221.3 Ų21.31%0.01212%0.118CC..EExtended strand (participates in β ladder)trans-90.7107.7174.2-175.10000107.9F36 Y62 L64 Y100 T101 F103F36-V112 HydrophobicContact CE1-CG1 4.11Å; F36-V112 HydrophobicContact CE1-CG2 4.29Å; F36-V112 HydrophobicContact CE2-CG2 4.04Å; F36-V112 HydrophobicContact CZ-CG1 4.14Å; F36-V112 HydrophobicContact CZ-CG2 3.65Å; Y62-V112 HydrophobicContact CD1-CG1 3.91Å; Y62-V112 HydrophobicContact CD2-CG1 4.32Å; Y62-V112 HydrophobicContact CG-CG1 3.72Å; L64-V112 HydrophobicContact CD1-CG2 3.8Å; Y100-V112 WeakPolarHBondContact CB-O 3.48Å; Y100-V112 PolarHBondContact N-O 2.68Å; T101-V112 HydrophobicContact CG2-CB 3.73Å; T101-V112 HydrophobicContact CG2-CG1 4.45Å; T101-V112 HydrophobicContact CG2-CG2 3.58Å; T101-V112 PolarHBondContact N-O 2.9Å; T101-V112 PolarHBondContact O-N 3.09Å; F103-V112 HydrophobicContact CD1-CG2 4.27Å; F103-V112 HydrophobicContact CE1-CG2 3.63Å
113I95.3Very high93.9Very high12 Ų1225.2 Ų25.26%0.06214%0.142CC..EExtended strand (participates in β ladder)trans-117.1164-17661.2172.1000111.3A63 I97 Q98 L99 M111 Y115A63-I113 HydrophobicContact CB-CD1 4.28Å; A63-I113 HydrophobicContact CB-CG1 3.78Å; A63-I113 PolarHBondContact N-O 2.89Å; A63-I113 WeakPolarHBondContact O-CG1 3.3Å; A63-I113 PolarHBondContact O-N 2.86Å; I97-I113 HydrophobicContact CG1-CB 4.48Å; I97-I113 HydrophobicContact CG1-CD1 4.5Å; Q98-I113 CarbonylContact O-C 3.6Å; Q98-I113 VanDerWaalsContact O-CA 3.27Å; Q98-I113 WeakPolarHBondContact O-CA 3.49Å; L99-I113 HydrophobicContact CB-CG2 4.41Å; L99-I113 HydrophobicContact CD1-CG2 3.67Å; M111-I113 HydrophobicContact CB-CG2 4.25Å; I113-Y115 PolarHBondContact O-N 2.8Å
114E94.8Very high94Very high21 Ų2125.4 Ų25.410%0.09814%0.144CC..  trans-50.9133170.3178.9179.3-170.600111.5I97 Q98 Y100 H168 K174I97-E114 HydrophobicContact CD1-CB 3.64Å; I97-E114 HydrophobicContact CD1-CG 3.93Å; I97-E114 WeakPolarHBondContact CD1-O 3.46Å; I97-E114 HydrophobicContact CG1-CB 3.99Å; Q98-E114 HydrophobicContact CB-CB 4.19Å; Q98-E114 PolarHBondContact N-OE2 2.85Å; Q98-E114 PolarHBondContact O-N 3.32Å; Y100-E114 HydrophobicContact CE2-CB 4.07Å; E114-H168 IonicContact OE1-CD2 2.63Å; E114-H168 IonicContact OE1-NE2 3.58Å; E114-K174 WeakPolarHBondContact OE1-CE 3.47Å; E114-K174 IonicContact OE1-NZ 3.86Å; E114-K174 PolarHBondContact OE1-NZ 3.35Å; E114-K174 WeakPolarHBondContact OE2-CE 3.28Å; E114-K174 IonicContact OE2-NZ 3.25Å; E114-K174 PolarHBondContact OE2-NZ 3.3Å
115Y94Very high94.2Very high25 Ų2522.6 Ų22.610%0.09813%0.131CC..  trans-91.6114.7176.3173-129.3000110.4R40 L42 L52 L61 A63 I113 I117R40-Y115 PolarHBondContact NH2-OH 2.89Å; L42-Y115 HydrophobicContact CD1-CD2 3.76Å; L42-Y115 HydrophobicContact CD1-CE2 3.69Å; L42-Y115 HydrophobicContact CD2-CE2 3.79Å; L42-Y115 HydrophobicContact CG-CE2 4.41Å; L52-Y115 HydrophobicContact CD1-CD1 3.64Å; L52-Y115 HydrophobicContact CD1-CD2 3.81Å; L52-Y115 HydrophobicContact CD1-CE1 3.64Å; L52-Y115 HydrophobicContact CD1-CE2 3.83Å; L52-Y115 HydrophobicContact CD1-CG 3.72Å; L52-Y115 HydrophobicContact CD2-CE1 4.26Å; L61-Y115 HydrophobicContact CB-CD1 4.11Å; L61-Y115 HydrophobicContact CD1-CD1 4.48Å; L61-Y115 HydrophobicContact CD1-CE1 4.4Å; A63-Y115 HydrophobicContact CB-CD2 4.47Å; I113-Y115 PolarHBondContact O-N 2.8Å; Y115-I117 HydrophobicContact CE1-CB 3.99Å; Y115-I117 HydrophobicContact CE1-CG1 4.2Å
116A93.6Very high94.5Very high14 Ų1425 Ų2512%0.11614%0.138CC..  trans-94103.4172.400000110.2G118 V166 I167A116-G118 VanDerWaalsContact C-N 3.29Å; A116-G118 PolarHBondContact O-N 3.41Å; A116-V166 HydrophobicContact CB-CB 3.6Å; A116-V166 HydrophobicContact CB-CG2 3.41Å; A116-V166 VanDerWaalsContact CB-CG2 3.41Å; A116-I167 CarbonylContact C-O 3.54Å; A116-I167 WeakPolarHBondContact CB-O 3.39Å
117I90.2Very high94.6Very high22 Ų2231 Ų3111%0.11316%0.164CC..THydrogen-bonded Turntrans-65.1-27.1-174.4-170.6176.5000114.3Y115 G119 S169 Y315 T316Y115-I117 HydrophobicContact CE1-CB 3.99Å; Y115-I117 HydrophobicContact CE1-CG1 4.2Å; I117-G119 PolarHBondContact O-N 3.49Å; I117-S169 VanDerWaalsContact CG2-CA 3.49Å; I117-Y315 WeakPolarHBondContact CD1-O 3.21Å; I117-T316 HydrophobicContact CD1-CG2 3.76Å
118G90.6Very high94.8Very high16 Ų1633.7 Ų33.717%0.16518%0.176CC..THydrogen-bonded Turntrans-77.32.8-173.700000115A116 I167A116-G118 VanDerWaalsContact C-N 3.29Å; A116-G118 PolarHBondContact O-N 3.41Å; G118-I167 VanDerWaalsContact CA-O 3.22Å; G118-I167 WeakPolarHBondContact CA-O 3.32Å; G118-I167 PolarHBondContact N-O 2.75Å
119G91.8Very high94.9Very high35 Ų3539.7 Ų39.736%0.36120%0.203SC..  trans71.7-157.5-174.500000111.8I117 V166 I167I117-G119 PolarHBondContact O-N 3.49Å; G119-V166 CarbonylContact O-C 3.58Å; G119-V166 VanDerWaalsContact O-CA 3.29Å; G119-V166 WeakPolarHBondContact O-CA 3.42Å; G119-I167 PolarHBondContact O-N 3.32Å
120D94.2Very high95.1Very high42 Ų4245.9 Ų45.923%0.22523%0.23CC..BIsolated β-bridgetrans-102.5158.1178.354.575.5000113F122 T123 L124 L165 V166D120-F122 PolarHBondContact O-N 3.11Å; D120-F122 VanDerWaalsContact OD1-CB 3.28Å; D120-F122 WeakPolarHBondContact OD1-CB 3.49Å; D120-F122 PolarHBondContact OD1-N 3.35Å; D120-T123 PolarHBondContact O-N 2.94Å; D120-T123 WeakPolarHBondContact OD1-CB 3.48Å; D120-T123 PolarHBondContact OD1-N 3.47Å; D120-T123 PolarHBondContact OD1-OG1 3.06Å; D120-T123 PolarHBondContact OD2-OG1 3.12Å; D120-L124 PolarHBondContact O-N 2.74Å; D120-L165 CarbonylContact C-O 3.55Å; D120-L165 WeakPolarHBondContact CA-O 3.18Å; D120-V166 HydrophobicContact CB-CG1 4.45Å
121L97.1Very high95.2Very high1 Ų146.3 Ų46.31%0.00523%0.231CC..Hα-helixtrans-64.2-25.6176.2-76.2-172.8000112.4L124 L125 F131 Y139 P162 L165 I167 I173 M226L121-L124 HydrophobicContact CD2-CD2 4.4Å; L121-L124 PolarHBondContact O-N 3.08Å; L121-L125 WeakPolarHBondContact O-CB 3.48Å; L121-L125 PolarHBondContact O-N 3.03Å; L121-F131 HydrophobicContact CD2-CE2 4.16Å; L121-F131 HydrophobicContact CD2-CZ 4.31Å; L121-Y139 HydrophobicContact CD1-CD1 4.46Å; L121-Y139 HydrophobicContact CD1-CD2 4.19Å; L121-Y139 HydrophobicContact CD1-CG 4.03Å; L121-Y139 HydrophobicContact CD2-CD1 4.32Å; L121-Y139 HydrophobicContact CD2-CD2 3.82Å; L121-Y139 HydrophobicContact CD2-CE1 4.16Å; L121-Y139 HydrophobicContact CD2-CE2 3.6Å; L121-Y139 HydrophobicContact CD2-CG 4.18Å; L121-P162 HydrophobicContact CB-CB 4.19Å; L121-P162 PolarHBondContact N-O 3.46Å; L121-L165 HydrophobicContact CB-CB 4.18Å; L121-L165 HydrophobicContact CD1-CB 3.72Å; L121-L165 HydrophobicContact CD1-CD1 3.8Å; L121-L165 HydrophobicContact CD1-CG 4.4Å; L121-L165 HydrophobicContact CG-CB 3.92Å; L121-L165 PolarHBondContact N-O 3.3Å; L121-I167 HydrophobicContact CD2-CD1 3.78Å; L121-I167 HydrophobicContact CD2-CG1 3.86Å; L121-I167 HydrophobicContact CG-CG1 4.36Å; L121-I173 HydrophobicContact CD1-CG2 4.03Å; L121-I173 HydrophobicContact CD2-CG2 4.17Å; L121-I173 HydrophobicContact CG-CG2 4.06Å; L121-M226 HydrophobicContact CD1-SD 4.41Å
122F96.2Very high95.4Very high66 Ų6649.2 Ų49.229%0.28925%0.25SS..Hα-helixtrans-60.9-52.5177-178.9-97.2000110.7D120 L124 L125 R126 P162 E163D120-F122 PolarHBondContact O-N 3.11Å; D120-F122 VanDerWaalsContact OD1-CB 3.28Å; D120-F122 WeakPolarHBondContact OD1-CB 3.49Å; D120-F122 PolarHBondContact OD1-N 3.35Å; F122-L124 VanDerWaalsContact C-N 3.33Å; F122-L124 PolarHBondContact O-N 2.98Å; F122-L125 PolarHBondContact O-N 3.23Å; F122-R126 HydrophobicContact CD1-CG 4.11Å; F122-R126 HydrophobicContact CE1-CG 3.8Å; F122-R126 HydrophobicContact CE2-CG 4.36Å; F122-R126 HydrophobicContact CZ-CG 3.94Å; F122-R126 VanDerWaalsContact O-CG 3.26Å; F122-R126 WeakPolarHBondContact O-CG 3.4Å; F122-R126 PolarHBondContact O-N 3.31Å; F122-P162 HydrophobicContact CB-CB 3.74Å; F122-P162 HydrophobicContact CD2-CB 4.32Å; F122-P162 PolarHBondContact N-O 3.5Å; F122-E163 HydrophobicContact CB-CB 4.43Å; F122-E163 HydrophobicContact CB-CG 3.72Å; F122-E163 HydrophobicContact CD1-CG 4.36Å; F122-E163 HydrophobicContact CD2-CG 4.1Å; F122-E163 WeakPolarHBondContact CD2-OE1 3.07Å; F122-E163 HydrophobicContact CG-CG 3.82Å
123T94.9Very high95.5Very high85 Ų8551.8 Ų51.852%0.52126%0.264SS..Hα-helixtrans-59.5-45.1179.1-59.50000110.9D120 L125 R126 H127D120-T123 PolarHBondContact O-N 2.94Å; D120-T123 WeakPolarHBondContact OD1-CB 3.48Å; D120-T123 PolarHBondContact OD1-N 3.47Å; D120-T123 PolarHBondContact OD1-OG1 3.06Å; D120-T123 PolarHBondContact OD2-OG1 3.12Å; T123-L125 PolarHBondContact O-N 3.35Å; T123-R126 PolarHBondContact O-N 2.81Å; T123-H127 WeakPolarHBondContact O-CB 3.5Å; T123-H127 PolarHBondContact O-N 2.74Å
124L96.1Very high95.6Very high14 Ų1455.7 Ų55.77%0.07329%0.285CS..Hα-helixtrans-63.6-42177.2-176.257.2000112D120 L121 F122 H127 M128 F131 M135 I167 Y309D120-L124 PolarHBondContact O-N 2.74Å; L121-L124 HydrophobicContact CD2-CD2 4.4Å; L121-L124 PolarHBondContact O-N 3.08Å; F122-L124 VanDerWaalsContact C-N 3.33Å; F122-L124 PolarHBondContact O-N 2.98Å; L124-H127 PolarHBondContact O-N 3.21Å; L124-M128 HydrophobicContact CD1-CG 4.1Å; L124-M128 HydrophobicContact CD1-SD 3.76Å; L124-M128 HydrophobicContact CG-SD 3.98Å; L124-M128 WeakPolarHBondContact O-CB 3.34Å; L124-M128 WeakPolarHBondContact O-CG 3.38Å; L124-M128 PolarHBondContact O-N 2.78Å; L124-F131 HydrophobicContact CB-CE1 4.41Å; L124-F131 HydrophobicContact CB-CZ 4.15Å; L124-F131 HydrophobicContact CD2-CE1 4.39Å; L124-F131 HydrophobicContact CD2-CZ 4.21Å; L124-F131 HydrophobicContact CG-CE1 3.84Å; L124-F131 HydrophobicContact CG-CZ 3.91Å; L124-M135 HydrophobicContact CD2-CE 3.39Å; L124-M135 HydrophobicContact CG-CE 4.05Å; L124-I167 HydrophobicContact CB-CD1 4.21Å; L124-I167 HydrophobicContact CD2-CD1 3.46Å; L124-I167 VanDerWaalsContact CD2-CD1 3.46Å; L124-I167 HydrophobicContact CG-CD1 4.48Å; L124-Y309 HydrophobicContact CD1-CD2 4.23Å; L124-Y309 HydrophobicContact CD1-CE1 4.29Å; L124-Y309 HydrophobicContact CD1-CE2 3.91Å; L124-Y309 HydrophobicContact CD2-CD1 3.53Å; L124-Y309 HydrophobicContact CD2-CD2 4.34Å; L124-Y309 HydrophobicContact CD2-CE1 3.73Å; L124-Y309 HydrophobicContact CD2-CG 3.87Å
125L97.9Very high95.7Very high2 Ų254.8 Ų54.81%0.0128%0.281CS..Hα-helixtrans-63.9-42.6177.2-179.661.9000111.6L121 F122 T123 M128 K129 F131 E225L121-L125 WeakPolarHBondContact O-CB 3.48Å; L121-L125 PolarHBondContact O-N 3.03Å; F122-L125 PolarHBondContact O-N 3.23Å; T123-L125 PolarHBondContact O-N 3.35Å; L125-M128 CarbonylContact O-C 3.6Å; L125-M128 PolarHBondContact O-N 3.38Å; L125-K129 CarbonylContact O-C 3.54Å; L125-K129 VanDerWaalsContact O-CA 3.23Å; L125-K129 WeakPolarHBondContact O-CA 3.48Å; L125-K129 PolarHBondContact O-N 2.84Å; L125-F131 VanDerWaalsContact CA-CE1 3.44Å; L125-F131 HydrophobicContact CB-CE1 3.99Å; L125-F131 HydrophobicContact CB-CE2 4.27Å; L125-F131 HydrophobicContact CB-CZ 3.7Å; L125-F131 HydrophobicContact CD1-CD1 3.95Å; L125-F131 HydrophobicContact CD1-CD2 4.27Å; L125-F131 HydrophobicContact CD1-CE1 3.99Å; L125-F131 HydrophobicContact CD1-CE2 4.3Å; L125-F131 HydrophobicContact CD1-CG 4.09Å; L125-F131 HydrophobicContact CD1-CZ 4.16Å; L125-E225 HydrophobicContact CD2-CG 3.58Å
126R97Very high96Very high85 Ų8553.7 Ų53.732%0.32128%0.277SS..Hα-helixtrans-63.5-42.1177-66.1-68.8145.2-150-9.8111.5F122 T123 K129 E225 G229F122-R126 HydrophobicContact CD1-CG 4.11Å; F122-R126 HydrophobicContact CE1-CG 3.8Å; F122-R126 HydrophobicContact CE2-CG 4.36Å; F122-R126 HydrophobicContact CZ-CG 3.94Å; F122-R126 VanDerWaalsContact O-CG 3.26Å; F122-R126 WeakPolarHBondContact O-CG 3.4Å; F122-R126 PolarHBondContact O-N 3.31Å; T123-R126 PolarHBondContact O-N 2.81Å; R126-K129 PolarHBondContact O-N 2.76Å; R126-E225 IonicContact NH2-OE1 3.47Å; R126-E225 PolarHBondContact NH2-OE1 2.91Å; R126-G229 PolarHBondContact NH1-O 3.48Å; R126-G229 PolarHBondContact NH2-O 2.48Å
127H95.7Very high96.2Very high157 Ų15754.1 Ų54.173%0.72728%0.276SS*.Hα-helixtrans-63-46.5175176.5-91.4000112.1T123 L124 K129T123-H127 WeakPolarHBondContact O-CB 3.5Å; T123-H127 PolarHBondContact O-N 2.74Å; L124-H127 PolarHBondContact O-N 3.21Å; H127-K129 VanDerWaalsContact C-N 3.32Å; H127-K129 PolarHBondContact O-N 3.07Å
128M97.3Very high96.6Very high69 Ų6953.5 Ų53.534%0.3427%0.273SS..Hα-helixtrans-80.1-11.8-179.2-66.8-177.665.700113.9L124 L125 K130 F131 M135L124-M128 HydrophobicContact CD1-CG 4.1Å; L124-M128 HydrophobicContact CD1-SD 3.76Å; L124-M128 HydrophobicContact CG-SD 3.98Å; L124-M128 WeakPolarHBondContact O-CB 3.34Å; L124-M128 WeakPolarHBondContact O-CG 3.38Å; L124-M128 PolarHBondContact O-N 2.78Å; L125-M128 CarbonylContact O-C 3.6Å; L125-M128 PolarHBondContact O-N 3.38Å; M128-K130 PolarHBondContact O-N 2.67Å; M128-F131 HydrophobicContact CB-CD1 4.14Å; M128-F131 HydrophobicContact CB-CE1 4.14Å; M128-F131 HydrophobicContact CE-CD1 4.1Å; M128-F131 HydrophobicContact CG-CE1 4.33Å; M128-F131 HydrophobicContact SD-CD1 3.76Å; M128-F131 HydrophobicContact SD-CE1 3.66Å; M128-M135 HydrophobicContact CE-CE 4.33Å; M128-M135 HydrophobicContact CE-SD 3.8Å; M128-M135 HydrophobicContact SD-CE 3.72Å; M128-M135 HydrophobicContact SD-SD 3.99Å
129K98Very high97Very high164 Ų16452.8 Ų52.871%0.71327%0.265SS*.SBendtrans65.1-35.2-171.4-53.4174.5-179.1176.40114.8L125 R126 H127 G229L125-K129 CarbonylContact O-C 3.54Å; L125-K129 VanDerWaalsContact O-CA 3.23Å; L125-K129 WeakPolarHBondContact O-CA 3.48Å; L125-K129 PolarHBondContact O-N 2.84Å; R126-K129 PolarHBondContact O-N 2.76Å; H127-K129 VanDerWaalsContact C-N 3.32Å; H127-K129 PolarHBondContact O-N 3.07Å; K129-G229 WeakPolarHBondContact O-CA 3.07Å
130K97.3Very high97.3Very high131 Ų13151.1 Ų51.157%0.5725%0.247SC*.SBendtrans-159.5158171.762.1-179.8-177.6178.10109.5M128 T227M128-K130 PolarHBondContact O-N 2.67Å; K130-T227 WeakPolarHBondContact CB-O 3.37Å
131F98.3Very high97.6Very high9 Ų949.1 Ų49.14%0.03924%0.237CC..  trans-94.1145.9174.7-65.9-19.8000112.2L121 L124 L125 M128 M135 V136 Y139 M226L121-F131 HydrophobicContact CD2-CE2 4.16Å; L121-F131 HydrophobicContact CD2-CZ 4.31Å; L124-F131 HydrophobicContact CB-CE1 4.41Å; L124-F131 HydrophobicContact CB-CZ 4.15Å; L124-F131 HydrophobicContact CD2-CE1 4.39Å; L124-F131 HydrophobicContact CD2-CZ 4.21Å; L124-F131 HydrophobicContact CG-CE1 3.84Å; L124-F131 HydrophobicContact CG-CZ 3.91Å; L125-F131 VanDerWaalsContact CA-CE1 3.44Å; L125-F131 HydrophobicContact CB-CE1 3.99Å; L125-F131 HydrophobicContact CB-CE2 4.27Å; L125-F131 HydrophobicContact CB-CZ 3.7Å; L125-F131 HydrophobicContact CD1-CD1 3.95Å; L125-F131 HydrophobicContact CD1-CD2 4.27Å; L125-F131 HydrophobicContact CD1-CE1 3.99Å; L125-F131 HydrophobicContact CD1-CE2 4.3Å; L125-F131 HydrophobicContact CD1-CG 4.09Å; L125-F131 HydrophobicContact CD1-CZ 4.16Å; M128-F131 HydrophobicContact CB-CD1 4.14Å; M128-F131 HydrophobicContact CB-CE1 4.14Å; M128-F131 HydrophobicContact CE-CD1 4.1Å; M128-F131 HydrophobicContact CG-CE1 4.33Å; M128-F131 HydrophobicContact SD-CD1 3.76Å; M128-F131 HydrophobicContact SD-CE1 3.66Å; F131-M135 HydrophobicContact CB-CB 4.17Å; F131-M135 HydrophobicContact CB-CG 4.12Å; F131-M135 HydrophobicContact CB-SD 4.13Å; F131-M135 HydrophobicContact CD1-CE 3.88Å; F131-M135 HydrophobicContact CD1-SD 3.72Å; F131-M135 HydrophobicContact CD2-CE 4.48Å; F131-M135 HydrophobicContact CD2-CG 4.15Å; F131-M135 HydrophobicContact CD2-SD 4.37Å; F131-M135 HydrophobicContact CE1-CE 3.73Å; F131-M135 HydrophobicContact CE1-SD 4.21Å; F131-M135 HydrophobicContact CE2-CE 4.35Å; F131-M135 HydrophobicContact CG-CE 4.28Å; F131-M135 HydrophobicContact CG-CG 4.03Å; F131-M135 HydrophobicContact CG-SD 3.82Å; F131-M135 HydrophobicContact CZ-CE 3.98Å; F131-V136 HydrophobicContact CB-CG2 3.85Å; F131-Y139 HydrophobicContact CD2-CD2 4.39Å; F131-Y139 HydrophobicContact CE2-CD2 4.27Å; F131-Y139 HydrophobicContact CE2-CE2 4.36Å; F131-M226 HydrophobicContact CD2-CB 3.85Å; F131-M226 HydrophobicContact CD2-CG 3.83Å; F131-M226 HydrophobicContact CD2-SD 3.92Å; F131-M226 HydrophobicContact CE2-CG 4.06Å; F131-M226 HydrophobicContact CE2-SD 4.1Å; F131-M226 PolarHBondContact N-O 3.37Å
132P97.5Very high97.6Very high61 Ų6149 Ų4940%0.39624%0.237SC..  trans-68.8156.1167.631.5-35.3000110.8N134 M135 V136P132-N134 VanDerWaalsContact C-N 3.3Å; P132-N134 WeakPolarHBondContact CB-OD1 2.92Å; P132-N134 WeakPolarHBondContact CG-OD1 3.41Å; P132-N134 PolarHBondContact O-N 3.45Å; P132-M135 HydrophobicContact CG-CB 3.9Å; P132-M135 HydrophobicContact CG-SD 4.44Å; P132-M135 WeakPolarHBondContact O-CA 3.49Å; P132-M135 WeakPolarHBondContact O-CB 3.36Å; P132-M135 PolarHBondContact O-N 3.37Å; P132-V136 PolarHBondContact O-N 2.87Å; P132-V136 VanDerWaalsContact O-N 3.08Å
133D97.4Very high97.8Very high56 Ų5646 Ų4630%0.29922%0.223SC..Hα-helixtrans-54.7-40.4-172.3-173.977.6000113.9M135 V136 K137 N257 Y291D133-M135 VanDerWaalsContact C-N 3.25Å; D133-M135 PolarHBondContact O-N 2.92Å; D133-V136 PolarHBondContact O-N 3.19Å; D133-K137 WeakPolarHBondContact O-CB 3.26Å; D133-K137 PolarHBondContact O-N 3.08Å; D133-N257 VanDerWaalsContact CG-ND2 3.27Å; D133-N257 PolarHBondContact OD1-ND2 3.03Å; D133-N257 PolarHBondContact OD2-ND2 3.06Å; D133-Y291 PolarHBondContact O-OH 3.06Å; D133-Y291 VanDerWaalsContact OD1-CE2 3.3Å; D133-Y291 WeakPolarHBondContact OD1-CE2 3.4Å; D133-Y291 PolarHBondContact OD1-OH 2.67Å
134N97.6Very high97.9Very high94 Ų9442 Ų4250%0.50320%0.198SC..Hα-helixtrans-62.6-32.7177.566.1-49.7000112.7P132 F138P132-N134 VanDerWaalsContact C-N 3.3Å; P132-N134 WeakPolarHBondContact CB-OD1 2.92Å; P132-N134 WeakPolarHBondContact CG-OD1 3.41Å; P132-N134 PolarHBondContact O-N 3.45Å; N134-F138 VanDerWaalsContact O-CB 3.24Å; N134-F138 WeakPolarHBondContact O-CB 3.48Å; N134-F138 PolarHBondContact O-N 3.23Å
135M98.3Very high98Very high3 Ų341.3 Ų41.32%0.01520%0.195CC..Hα-helixtrans-77.7-40.1177.8-173.4171.6-173.200111.4L124 M128 F131 P132 D133 K137 F138 Y139 P308 Y309L124-M135 HydrophobicContact CD2-CE 3.39Å; L124-M135 HydrophobicContact CG-CE 4.05Å; M128-M135 HydrophobicContact CE-CE 4.33Å; M128-M135 HydrophobicContact CE-SD 3.8Å; M128-M135 HydrophobicContact SD-CE 3.72Å; M128-M135 HydrophobicContact SD-SD 3.99Å; F131-M135 HydrophobicContact CB-CB 4.17Å; F131-M135 HydrophobicContact CB-CG 4.12Å; F131-M135 HydrophobicContact CB-SD 4.13Å; F131-M135 HydrophobicContact CD1-CE 3.88Å; F131-M135 HydrophobicContact CD1-SD 3.72Å; F131-M135 HydrophobicContact CD2-CE 4.48Å; F131-M135 HydrophobicContact CD2-CG 4.15Å; F131-M135 HydrophobicContact CD2-SD 4.37Å; F131-M135 HydrophobicContact CE1-CE 3.73Å; F131-M135 HydrophobicContact CE1-SD 4.21Å; F131-M135 HydrophobicContact CE2-CE 4.35Å; F131-M135 HydrophobicContact CG-CE 4.28Å; F131-M135 HydrophobicContact CG-CG 4.03Å; F131-M135 HydrophobicContact CG-SD 3.82Å; F131-M135 HydrophobicContact CZ-CE 3.98Å; P132-M135 HydrophobicContact CG-CB 3.9Å; P132-M135 HydrophobicContact CG-SD 4.44Å; P132-M135 WeakPolarHBondContact O-CA 3.49Å; P132-M135 WeakPolarHBondContact O-CB 3.36Å; P132-M135 PolarHBondContact O-N 3.37Å; D133-M135 VanDerWaalsContact C-N 3.25Å; D133-M135 PolarHBondContact O-N 2.92Å; M135-K137 VanDerWaalsContact C-N 3.34Å; M135-K137 PolarHBondContact O-N 3.23Å; M135-F138 PolarHBondContact O-N 2.83Å; M135-Y139 HydrophobicContact CE-CE2 3.49Å; M135-Y139 VanDerWaalsContact CE-CE2 3.49Å; M135-Y139 HydrophobicContact CG-CD2 3.72Å; M135-Y139 HydrophobicContact CG-CE2 3.32Å; M135-Y139 VanDerWaalsContact O-CD2 3.27Å; M135-Y139 WeakPolarHBondContact O-CD2 3.33Å; M135-Y139 PolarHBondContact O-N 2.83Å; M135-Y139 HydrophobicContact SD-CE2 4.21Å; M135-P308 HydrophobicContact CB-CB 4.22Å; M135-P308 HydrophobicContact CB-CG 3.99Å; M135-P308 HydrophobicContact CG-CB 4.43Å; M135-P308 HydrophobicContact CG-CG 3.9Å; M135-Y309 HydrophobicContact CE-CG 4.3Å
136V98.7Very high98.1Very high1 Ų141.2 Ų41.21%0.00620%0.195CC..Hα-helixtrans-57.8-47.8171-179.30000110.3F131 P132 D133 G140 L223 M226 L260F131-V136 HydrophobicContact CB-CG2 3.85Å; P132-V136 PolarHBondContact O-N 2.87Å; P132-V136 VanDerWaalsContact O-N 3.08Å; D133-V136 PolarHBondContact O-N 3.19Å; V136-G140 WeakPolarHBondContact O-CA 3.03Å; V136-G140 PolarHBondContact O-N 3.34Å; V136-L223 HydrophobicContact CG1-CD2 3.77Å; V136-M226 HydrophobicContact CG1-CB 4.41Å; V136-M226 HydrophobicContact CG1-CE 4.06Å; V136-M226 HydrophobicContact CG2-CB 4Å; V136-L260 HydrophobicContact CG1-CD2 3.95Å
137K98.6Very high98.1Very high23 Ų2337.2 Ų37.210%0.118%0.18CC..Hα-helixtrans-62.4-45.3177.4-167.1-175.8-59.3-176.80112.3D133 M135 G141 Y291 F292 D294D133-K137 WeakPolarHBondContact O-CB 3.26Å; D133-K137 PolarHBondContact O-N 3.08Å; M135-K137 VanDerWaalsContact C-N 3.34Å; M135-K137 PolarHBondContact O-N 3.23Å; K137-G141 PolarHBondContact O-N 3.49Å; K137-Y291 HydrophobicContact CB-CE1 3.98Å; K137-Y291 WeakPolarHBondContact CE-O 3.48Å; K137-Y291 HydrophobicContact CG-CE1 3.95Å; K137-Y291 PolarHBondContact NZ-O 2.63Å; K137-F292 HydrophobicContact CD-CD1 4.43Å; K137-F292 HydrophobicContact CG-CD1 3.69Å; K137-F292 HydrophobicContact CG-CE1 3.86Å; K137-D294 IonicContact NZ-OD1 2.67Å; K137-D294 PolarHBondContact NZ-OD1 2.89Å; K137-D294 IonicContact NZ-OD2 3.4Å; K137-D294 PolarHBondContact NZ-OD2 3.36Å
138F98.7Very high98.2Very high10 Ų1030.5 Ų30.54%0.04415%0.149CC..Hα-helixtrans-62.2-50.4-178.9176.3-103.9000112.5N134 M135 Q142 F172 L300 I305 P307 P308N134-F138 VanDerWaalsContact O-CB 3.24Å; N134-F138 WeakPolarHBondContact O-CB 3.48Å; N134-F138 PolarHBondContact O-N 3.23Å; M135-F138 PolarHBondContact O-N 2.83Å; F138-Q142 VanDerWaalsContact CZ-NE2 3.32Å; F138-Q142 WeakPolarHBondContact O-CG 3.35Å; F138-Q142 PolarHBondContact O-N 3.29Å; F138-Q142 PolarHBondContact O-NE2 2.93Å; F138-F172 HydrophobicContact CE1-CD1 4.43Å; F138-F172 HydrophobicContact CE2-CD1 4.09Å; F138-F172 AromaticContact CE2-CE1 3.64Å; F138-F172 HydrophobicContact CE2-CE1 3.64Å; F138-F172 HydrophobicContact CE2-CZ 4.03Å; F138-F172 AromaticContact CZ-CD1 3.54Å; F138-F172 HydrophobicContact CZ-CD1 3.54Å; F138-F172 HydrophobicContact CZ-CD2 4.3Å; F138-F172 AromaticContact CZ-CE1 3.52Å; F138-F172 HydrophobicContact CZ-CE1 3.52Å; F138-F172 HydrophobicContact CZ-CE2 4.26Å; F138-F172 AromaticContact CZ-CG 3.97Å; F138-F172 HydrophobicContact CZ-CG 3.97Å; F138-F172 AromaticContact CZ-CZ 3.89Å; F138-F172 HydrophobicContact CZ-CZ 3.89Å; F138-L300 HydrophobicContact CD2-CD1 3.94Å; F138-L300 HydrophobicContact CE2-CD1 3.85Å; F138-I305 HydrophobicContact CD2-CG2 4.06Å; F138-I305 HydrophobicContact CE2-CB 4.28Å; F138-I305 HydrophobicContact CE2-CG2 3.97Å; F138-P307 HydrophobicContact CE1-CB 4.05Å; F138-P307 HydrophobicContact CZ-CB 3.82Å; F138-P308 HydrophobicContact CB-CG 4.1Å; F138-P308 HydrophobicContact CD1-CG 3.73Å; F138-P308 HydrophobicContact CE1-CG 4.37Å; F138-P308 HydrophobicContact CG-CG 4.02Å
139Y98.8Very high98.2Very high0 Ų027.3 Ų27.30%013%0.133CC..Hα-helixtrans-73-37.9177.6-63.8-50.1000112L121 F131 M135 G141 Q142 V143 I173L121-Y139 HydrophobicContact CD1-CD1 4.46Å; L121-Y139 HydrophobicContact CD1-CD2 4.19Å; L121-Y139 HydrophobicContact CD1-CG 4.03Å; L121-Y139 HydrophobicContact CD2-CD1 4.32Å; L121-Y139 HydrophobicContact CD2-CD2 3.82Å; L121-Y139 HydrophobicContact CD2-CE1 4.16Å; L121-Y139 HydrophobicContact CD2-CE2 3.6Å; L121-Y139 HydrophobicContact CD2-CG 4.18Å; F131-Y139 HydrophobicContact CD2-CD2 4.39Å; F131-Y139 HydrophobicContact CE2-CD2 4.27Å; F131-Y139 HydrophobicContact CE2-CE2 4.36Å; M135-Y139 HydrophobicContact CE-CE2 3.49Å; M135-Y139 VanDerWaalsContact CE-CE2 3.49Å; M135-Y139 HydrophobicContact CG-CD2 3.72Å; M135-Y139 HydrophobicContact CG-CE2 3.32Å; M135-Y139 VanDerWaalsContact O-CD2 3.27Å; M135-Y139 WeakPolarHBondContact O-CD2 3.33Å; M135-Y139 PolarHBondContact O-N 2.83Å; M135-Y139 HydrophobicContact SD-CE2 4.21Å; Y139-G141 VanDerWaalsContact C-N 3.3Å; Y139-G141 PolarHBondContact O-N 2.88Å; Y139-Q142 PolarHBondContact O-N 3.31Å; Y139-Q142 VanDerWaalsContact O-N 3.09Å; Y139-V143 WeakPolarHBondContact O-CG2 3.35Å; Y139-V143 PolarHBondContact O-N 3.44Å; Y139-I173 HydrophobicContact CD1-CB 4.48Å; Y139-I173 HydrophobicContact CD1-CG1 4.37Å; Y139-I173 HydrophobicContact CD1-CG2 3.42Å; Y139-I173 VanDerWaalsContact CD1-CG2 3.42Å; Y139-I173 HydrophobicContact CE1-CG2 3.61Å; Y139-I173 HydrophobicContact CG-CG2 4.33Å
140G98.8Very high98.2Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-58.5-42.1176.400000112.5V136 Q142 V143 I144 F219V136-G140 WeakPolarHBondContact O-CA 3.03Å; V136-G140 PolarHBondContact O-N 3.34Å; G140-Q142 VanDerWaalsContact C-N 3.32Å; G140-Q142 PolarHBondContact O-N 3Å; G140-V143 PolarHBondContact O-N 2.66Å; G140-I144 WeakPolarHBondContact O-CG1 2.99Å; G140-I144 PolarHBondContact O-N 2.96Å; G140-F219 WeakPolarHBondContact O-CE2 3.33Å
141G98.7Very high98.2Very high0 Ų014.2 Ų14.20%08%0.076CC..Hα-helixtrans-61.1-37.3174.500000113.7K137 Y139 I144 L145 L300K137-G141 PolarHBondContact O-N 3.49Å; Y139-G141 VanDerWaalsContact C-N 3.3Å; Y139-G141 PolarHBondContact O-N 2.88Å; G141-I144 WeakPolarHBondContact O-CB 3.47Å; G141-I144 PolarHBondContact O-N 3.49Å; G141-L145 WeakPolarHBondContact O-CG 3.38Å; G141-L145 PolarHBondContact O-N 3.35Å; G141-L145 VanDerWaalsContact O-N 3.17Å; G141-L300 VanDerWaalsContact C-CD2 3.45Å
142Q98.8Very high98.1Very high0 Ų017.9 Ų17.90%09%0.09CC..Hα-helixtrans-70.6-41.4178.5-67.1167.471.800111.3F95 F138 Y139 G140 I144 L145 A146 F172 I173 L300F95-Q142 HydrophobicContact CD1-CB 3.99Å; F95-Q142 HydrophobicContact CD1-CG 3.96Å; F95-Q142 HydrophobicContact CD2-CB 4.31Å; F95-Q142 HydrophobicContact CE1-CB 4.15Å; F95-Q142 HydrophobicContact CE1-CG 3.61Å; F95-Q142 HydrophobicContact CE2-CB 4.45Å; F95-Q142 HydrophobicContact CE2-CG 4.28Å; F95-Q142 HydrophobicContact CG-CB 4.08Å; F95-Q142 HydrophobicContact CG-CG 4.44Å; F95-Q142 HydrophobicContact CZ-CB 4.37Å; F95-Q142 HydrophobicContact CZ-CG 3.79Å; F138-Q142 VanDerWaalsContact CZ-NE2 3.32Å; F138-Q142 WeakPolarHBondContact O-CG 3.35Å; F138-Q142 PolarHBondContact O-N 3.29Å; F138-Q142 PolarHBondContact O-NE2 2.93Å; Y139-Q142 PolarHBondContact O-N 3.31Å; Y139-Q142 VanDerWaalsContact O-N 3.09Å; G140-Q142 VanDerWaalsContact C-N 3.32Å; G140-Q142 PolarHBondContact O-N 3Å; Q142-I144 VanDerWaalsContact C-N 3.33Å; Q142-I144 PolarHBondContact O-N 3.47Å; Q142-L145 PolarHBondContact O-N 2.94Å; Q142-A146 PolarHBondContact O-N 2.88Å; Q142-F172 HydrophobicContact CG-CD1 4.47Å; Q142-I173 HydrophobicContact CB-CD1 3.84Å; Q142-I173 HydrophobicContact CB-CG1 3.63Å; Q142-I173 HydrophobicContact CG-CG1 4.28Å; Q142-I173 VanDerWaalsContact OE1-CG1 3.24Å; Q142-L300 HydrophobicContact CG-CD1 3.88Å; Q142-L300 HydrophobicContact CG-CD2 4.08Å; Q142-L300 HydrophobicContact CG-CG 4.07Å
143V98.9Very high98Very high2 Ų215 Ų151%0.0127%0.071CC..Hα-helixtrans-61.6-42.3174.4174.70000110.9Y139 G140 L145 A146 L147 L160 L165 I173 F219 L222Y139-V143 WeakPolarHBondContact O-CG2 3.35Å; Y139-V143 PolarHBondContact O-N 3.44Å; G140-V143 PolarHBondContact O-N 2.66Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 2.89Å; V143-A146 PolarHBondContact O-N 3.25Å; V143-L147 HydrophobicContact CG1-CD1 3.98Å; V143-L147 HydrophobicContact CG1-CG 4.2Å; V143-L147 WeakPolarHBondContact O-CB 3.36Å; V143-L147 WeakPolarHBondContact O-CG 3.31Å; V143-L147 PolarHBondContact O-N 3.42Å; V143-L160 HydrophobicContact CG1-CD1 3.76Å; V143-L160 HydrophobicContact CG1-CD2 3.74Å; V143-L160 HydrophobicContact CG1-CG 4.43Å; V143-L165 HydrophobicContact CG2-CD1 3.93Å; V143-L165 HydrophobicContact CG2-CD2 3.82Å; V143-I173 HydrophobicContact CG2-CD1 3.71Å; V143-F219 HydrophobicContact CB-CD2 4.19Å; V143-F219 HydrophobicContact CB-CE2 4.07Å; V143-F219 HydrophobicContact CG1-CD2 3.68Å; V143-F219 HydrophobicContact CG1-CE2 4.07Å; V143-L222 HydrophobicContact CG1-CD2 4.3Å; V143-L222 HydrophobicContact CG2-CD2 3.96Å
144I98.6Very high97.9Very high0 Ų013.1 Ų13.10%06%0.062CC..Hα-helixtrans-54.7-50.4174.3-75.8165.5000110.8G140 G141 Q142 A146 L147 E148 W216 F219 I283 I286 K287 F292 W297G140-I144 WeakPolarHBondContact O-CG1 2.99Å; G140-I144 PolarHBondContact O-N 2.96Å; G141-I144 WeakPolarHBondContact O-CB 3.47Å; G141-I144 PolarHBondContact O-N 3.49Å; Q142-I144 VanDerWaalsContact C-N 3.33Å; Q142-I144 PolarHBondContact O-N 3.47Å; I144-A146 VanDerWaalsContact C-N 3.35Å; I144-A146 PolarHBondContact O-N 3.37Å; I144-L147 PolarHBondContact O-N 3.41Å; I144-E148 WeakPolarHBondContact O-CB 3.46Å; I144-E148 PolarHBondContact O-N 2.84Å; I144-W216 HydrophobicContact CG1-CZ3 4.12Å; I144-F219 HydrophobicContact CD1-CE1 3.68Å; I144-F219 HydrophobicContact CD1-CE2 4.47Å; I144-F219 HydrophobicContact CD1-CZ 3.49Å; I144-F219 VanDerWaalsContact CD1-CZ 3.49Å; I144-F219 HydrophobicContact CG1-CD1 4.38Å; I144-F219 HydrophobicContact CG1-CE1 3.63Å; I144-F219 HydrophobicContact CG1-CE2 4.04Å; I144-F219 HydrophobicContact CG1-CZ 3.43Å; I144-F219 VanDerWaalsContact CG1-CZ 3.43Å; I144-I283 HydrophobicContact CG2-CD1 3.88Å; I144-I286 HydrophobicContact CD1-CG2 3.64Å; I144-I286 HydrophobicContact CG1-CG2 4.07Å; I144-K287 HydrophobicContact CG2-CD 4.1Å; I144-K287 HydrophobicContact CG2-CG 3.66Å; I144-F292 HydrophobicContact CD1-CD2 4.32Å; I144-F292 HydrophobicContact CD1-CE1 4.22Å; I144-F292 HydrophobicContact CD1-CE2 3.46Å; I144-F292 VanDerWaalsContact CD1-CE2 3.46Å; I144-F292 HydrophobicContact CD1-CZ 3.42Å; I144-F292 VanDerWaalsContact CD1-CZ 3.42Å; I144-W297 HydrophobicContact CB-CH2 4.32Å; I144-W297 HydrophobicContact CB-CZ3 4.12Å; I144-W297 HydrophobicContact CD1-CH2 3.79Å; I144-W297 HydrophobicContact CD1-CZ3 4.39Å; I144-W297 HydrophobicContact CG2-CH2 3.93Å; I144-W297 HydrophobicContact CG2-CZ3 3.79Å
145L98.2Very high97.9Very high0 Ų08.7 Ų8.70%04%0.038CC..Hα-helixtrans-66.1-36.7-178.9-68.6177.5000112.3F7 F93 F95 G141 Q142 V143 E148 Y149 W297 L300F7-L145 HydrophobicContact CE1-CD2 3.88Å; F7-L145 HydrophobicContact CE2-CD2 4.31Å; F7-L145 HydrophobicContact CZ-CD1 4.28Å; F7-L145 HydrophobicContact CZ-CD2 3.77Å; F93-L145 HydrophobicContact CE1-CB 4.24Å; F93-L145 VanDerWaalsContact CE1-O 3.29Å; F93-L145 WeakPolarHBondContact CE1-O 3.34Å; F93-L145 HydrophobicContact CZ-CB 4.28Å; F95-L145 HydrophobicContact CD2-CB 3.86Å; F95-L145 HydrophobicContact CD2-CD1 4.32Å; F95-L145 HydrophobicContact CE2-CB 4.03Å; F95-L145 HydrophobicContact CE2-CD1 3.62Å; F95-L145 HydrophobicContact CE2-CG 4.47Å; G141-L145 WeakPolarHBondContact O-CG 3.38Å; G141-L145 PolarHBondContact O-N 3.35Å; G141-L145 VanDerWaalsContact O-N 3.17Å; Q142-L145 PolarHBondContact O-N 2.94Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 2.89Å; L145-E148 WeakPolarHBondContact CD2-OE2 3.49Å; L145-Y149 WeakPolarHBondContact O-CB 3.46Å; L145-Y149 PolarHBondContact O-N 3.02Å; L145-Y149 VanDerWaalsContact O-N 3.11Å; L145-W297 HydrophobicContact CD1-CE3 4.18Å; L145-W297 HydrophobicContact CD2-CE3 3.88Å; L145-W297 HydrophobicContact CD2-CZ3 4.45Å; L145-W297 HydrophobicContact CG-CE3 3.95Å; L145-W297 HydrophobicContact CG-CZ3 4.25Å; L145-L300 HydrophobicContact CD1-CD2 4Å; L145-L300 HydrophobicContact CD1-CG 4.36Å
146A98.4Very high97.9Very high1 Ų18.5 Ų8.51%0.0084%0.038CC..Hα-helixtrans-65.2-47175.700000112F95 Q142 V143 I144 Y149 L150 L175F95-A146 HydrophobicContact CB-CB 4.04Å; Q142-A146 PolarHBondContact O-N 2.88Å; V143-A146 PolarHBondContact O-N 3.25Å; I144-A146 VanDerWaalsContact C-N 3.35Å; I144-A146 PolarHBondContact O-N 3.37Å; A146-Y149 PolarHBondContact O-N 2.9Å; A146-L150 WeakPolarHBondContact O-CG 3.41Å; A146-L150 PolarHBondContact O-N 3.12Å; A146-L175 HydrophobicContact CB-CB 4.46Å; A146-L175 HydrophobicContact CB-CD2 4.3Å
147L98.5Very high97.9Very high0 Ų08.5 Ų8.50%04%0.037CC..Hα-helixtrans-66.9-42.4177.5-70.3-178.8000111.8V143 I144 Y149 L150 H151 Y157 L160 D215 W216 F219V143-L147 HydrophobicContact CG1-CD1 3.98Å; V143-L147 HydrophobicContact CG1-CG 4.2Å; V143-L147 WeakPolarHBondContact O-CB 3.36Å; V143-L147 WeakPolarHBondContact O-CG 3.31Å; V143-L147 PolarHBondContact O-N 3.42Å; I144-L147 PolarHBondContact O-N 3.41Å; L147-Y149 VanDerWaalsContact C-N 3.29Å; L147-Y149 PolarHBondContact O-N 2.91Å; L147-L150 PolarHBondContact O-N 3.42Å; L147-H151 WeakPolarHBondContact O-CB 3.47Å; L147-H151 PolarHBondContact O-CD2 3.47Å; L147-H151 PolarHBondContact O-N 3.37Å; L147-Y157 HydrophobicContact CD2-CD1 4.42Å; L147-Y157 HydrophobicContact CD2-CG 4.39Å; L147-L160 HydrophobicContact CD1-CD2 4.26Å; L147-D215 HydrophobicContact CD1-CB 4.02Å; L147-D215 HydrophobicContact CD2-CB 3.97Å; L147-W216 HydrophobicContact CB-CH2 3.55Å; L147-W216 HydrophobicContact CB-CZ2 4.07Å; L147-W216 HydrophobicContact CB-CZ3 4.03Å; L147-W216 HydrophobicContact CD1-CE3 4.03Å; L147-W216 HydrophobicContact CD1-CH2 4.11Å; L147-W216 HydrophobicContact CD1-CZ3 3.71Å; L147-F219 HydrophobicContact CD1-CB 4.41Å
148E97.4Very high97.9Very high16 Ų168.3 Ų8.38%0.0754%0.036CC..Hα-helixtrans-55.5-45.8175.5-177.8177.3-157.600111.2Y11 I144 L145 Y152 I283 K287Y11-E148 HydrophobicContact CE2-CG 3.68Å; Y11-E148 PolarHBondContact OH-OE2 3.49Å; I144-E148 WeakPolarHBondContact O-CB 3.46Å; I144-E148 PolarHBondContact O-N 2.84Å; L145-E148 WeakPolarHBondContact CD2-OE2 3.49Å; E148-Y152 WeakPolarHBondContact O-CB 3.44Å; E148-Y152 PolarHBondContact O-N 3.29Å; E148-I283 HydrophobicContact CB-CG1 4.16Å; E148-I283 HydrophobicContact CG-CG1 3.97Å; E148-I283 HydrophobicContact CG-CG2 4.32Å; E148-K287 VanDerWaalsContact CD-NZ 3.32Å; E148-K287 IonicContact OE1-NZ 2.96Å; E148-K287 PolarHBondContact OE1-NZ 2.82Å; E148-K287 VanDerWaalsContact OE1-NZ 3.12Å; E148-K287 WeakPolarHBondContact OE2-CD 3.44Å; E148-K287 IonicContact OE2-NZ 3.87Å; E148-K287 PolarHBondContact OE2-NZ 2.74Å
149Y97.4Very high97.8Very high2 Ų28 Ų81%0.0084%0.035CC..Hα-helixtrans-61.4-51.6174.4171.6-103.4000112.3Y11 Q14 C91 N92 F93 I96 L145 A146 L147 H151 Y152 L153Y11-Y149 AromaticContact CD1-CD2 3.84Å; Y11-Y149 HydrophobicContact CD1-CD2 3.84Å; Y11-Y149 HydrophobicContact CE1-CD2 4.13Å; Q14-Y149 HydrophobicContact CB-CE2 3.84Å; C91-Y149 HydrophobicContact CB-CE1 4.33Å; N92-Y149 PolarHBondContact N-OH 3.38Å; F93-Y149 HydrophobicContact CB-CD1 3.73Å; F93-Y149 HydrophobicContact CB-CD2 4.44Å; F93-Y149 HydrophobicContact CB-CE1 3.63Å; F93-Y149 HydrophobicContact CB-CE2 4.37Å; F93-Y149 HydrophobicContact CB-CG 4.11Å; F93-Y149 HydrophobicContact CD1-CD1 4.17Å; F93-Y149 HydrophobicContact CD1-CG 4.11Å; F93-Y149 HydrophobicContact CD2-CD1 4.25Å; F93-Y149 AromaticContact CD2-CD2 3.7Å; F93-Y149 HydrophobicContact CD2-CD2 3.7Å; F93-Y149 HydrophobicContact CD2-CE2 4.11Å; F93-Y149 AromaticContact CD2-CG 3.74Å; F93-Y149 HydrophobicContact CD2-CG 3.74Å; F93-Y149 HydrophobicContact CE2-CD2 4.16Å; F93-Y149 HydrophobicContact CE2-CG 4.2Å; F93-Y149 AromaticContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD1 3.78Å; F93-Y149 HydrophobicContact CG-CD2 4.09Å; F93-Y149 HydrophobicContact CG-CE1 4.17Å; F93-Y149 HydrophobicContact CG-CE2 4.46Å; F93-Y149 AromaticContact CG-CG 3.7Å; F93-Y149 HydrophobicContact CG-CG 3.7Å; I96-Y149 HydrophobicContact CD1-CD1 3.5Å; I96-Y149 VanDerWaalsContact CD1-CD1 3.5Å; I96-Y149 HydrophobicContact CD1-CE1 3.72Å; L145-Y149 WeakPolarHBondContact O-CB 3.46Å; L145-Y149 PolarHBondContact O-N 3.02Å; L145-Y149 VanDerWaalsContact O-N 3.11Å; A146-Y149 PolarHBondContact O-N 2.9Å; L147-Y149 VanDerWaalsContact C-N 3.29Å; L147-Y149 PolarHBondContact O-N 2.91Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 3.45Å; Y149-Y152 WeakPolarHBondContact O-CB 3.42Å; Y149-Y152 PolarHBondContact O-N 3.22Å; Y149-Y152 VanDerWaalsContact O-N 3.13Å; Y149-L153 HydrophobicContact CD1-CD1 4.11Å; Y149-L153 HydrophobicContact CE1-CD1 3.45Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.45Å; Y149-L153 HydrophobicContact CE1-CG 4.33Å; Y149-L153 HydrophobicContact CE2-CD1 4.05Å; Y149-L153 HydrophobicContact CE2-CD2 4.36Å; Y149-L153 HydrophobicContact CE2-CG 4.24Å; Y149-L153 VanDerWaalsContact CZ-CD1 3.45Å; Y149-L153 WeakPolarHBondContact O-CG 3.4Å; Y149-L153 PolarHBondContact O-N 3.07Å
150L97.8Very high97.8Very high0 Ų08 Ų80%04%0.035CC..Hα-helixtrans-58.7-44.1179.1-72.3177.7000112I96 A146 L147 Y152 L153 T154 I155 Y157 L175 L178I96-L150 HydrophobicContact CD1-CD1 4.43Å; I96-L150 HydrophobicContact CD1-CD2 3.71Å; I96-L150 HydrophobicContact CD1-CG 3.9Å; A146-L150 WeakPolarHBondContact O-CG 3.41Å; A146-L150 PolarHBondContact O-N 3.12Å; L147-L150 PolarHBondContact O-N 3.42Å; L150-Y152 VanDerWaalsContact C-N 3.3Å; L150-Y152 PolarHBondContact O-N 3.23Å; L150-L153 CarbonylContact O-C 3.56Å; L150-L153 WeakPolarHBondContact O-CA 3.39Å; L150-L153 WeakPolarHBondContact O-CB 3.25Å; L150-L153 PolarHBondContact O-N 3.21Å; L150-L153 VanDerWaalsContact O-N 3.12Å; L150-T154 PolarHBondContact O-N 3.04Å; L150-I155 CarbonylContact C-O 3.46Å; L150-I155 HydrophobicContact CB-CB 4.25Å; L150-I155 HydrophobicContact CD2-CB 4.3Å; L150-I155 HydrophobicContact CD2-CD1 4.07Å; L150-I155 HydrophobicContact CD2-CG2 4.23Å; L150-I155 WeakPolarHBondContact O-CB 3.5Å; L150-I155 PolarHBondContact O-N 3.19Å; L150-Y157 HydrophobicContact CD1-CD2 4.03Å; L150-Y157 HydrophobicContact CD1-CG 4.31Å; L150-L175 HydrophobicContact CD1-CD2 3.8Å; L150-L178 HydrophobicContact CD1-CD2 4.3Å
151H97Very high97.7Very high20 Ų209.5 Ų9.59%0.0934%0.042CC..Hα-helixtrans-64.6-36.2178-63.9174.2000111.5L147 Y149 L153 T154 I155 Y212 D215 W216L147-H151 WeakPolarHBondContact O-CB 3.47Å; L147-H151 PolarHBondContact O-CD2 3.47Å; L147-H151 PolarHBondContact O-N 3.37Å; Y149-H151 VanDerWaalsContact C-N 3.33Å; Y149-H151 PolarHBondContact O-N 3.45Å; H151-L153 VanDerWaalsContact C-N 3.31Å; H151-L153 PolarHBondContact O-N 2.84Å; H151-T154 WeakPolarHBondContact O-CA 3.29Å; H151-T154 PolarHBondContact O-N 3.41Å; H151-I155 PolarHBondContact CD2-O 3.11Å; H151-Y212 HydrophobicContact CB-CD1 4.18Å; H151-Y212 HydrophobicContact CB-CD2 4Å; H151-Y212 HydrophobicContact CB-CE2 4.42Å; H151-Y212 HydrophobicContact CB-CG 3.92Å; H151-Y212 AromaticContact CD2-CD1 3.48Å; H151-Y212 VanDerWaalsContact CD2-CD1 3.48Å; H151-Y212 WeakPolarHBondContact CD2-CD1 3.41Å; H151-Y212 AromaticContact CD2-CG 3.66Å; H151-Y212 AromaticContact CG-CD1 3.88Å; H151-Y212 AromaticContact CG-CG 3.63Å; H151-D215 IonicContact CD2-OD2 3.45Å; H151-D215 IonicContact CE1-OD2 2.81Å; H151-D215 IonicContact NE2-OD2 3.12Å; H151-D215 PolarHBondContact NE2-OD2 3.16Å; H151-W216 AromaticContact CE1-CE2 3.58Å; H151-W216 AromaticContact CE1-CZ2 3.65Å; H151-W216 AromaticContact CE1-NE1 3.51Å; H151-W216 AromaticContact ND1-CE2 3.66Å; H151-W216 AromaticContact ND1-CZ2 3.5Å; H151-W216 WeakPolarHBondContact ND1-CZ2 3.39Å; H151-W216 AromaticContact ND1-NE1 3.49Å; H151-W216 PolarHBondContact ND1-NE1 3.17Å
152Y95.6Very high97.7Very high86 Ų869.6 Ų9.634%0.3374%0.042SC..Hα-helixtrans-60.9-40.6172.7-167-80.2000111.7Y11 K12 E148 Y149 L150 T154Y11-Y152 HydrophobicContact CD2-CD2 4.1Å; Y11-Y152 HydrophobicContact CD2-CG 4.45Å; Y11-Y152 HydrophobicContact CG-CD2 4.34Å; Y11-Y152 HydrophobicContact CG-CG 4.34Å; Y11-Y152 WeakPolarHBondContact O-CE1 3.41Å; K12-Y152 WeakPolarHBondContact CA-OH 3.5Å; K12-Y152 WeakPolarHBondContact CB-OH 3.21Å; E148-Y152 WeakPolarHBondContact O-CB 3.44Å; E148-Y152 PolarHBondContact O-N 3.29Å; Y149-Y152 WeakPolarHBondContact O-CB 3.42Å; Y149-Y152 PolarHBondContact O-N 3.22Å; Y149-Y152 VanDerWaalsContact O-N 3.13Å; L150-Y152 VanDerWaalsContact C-N 3.3Å; L150-Y152 PolarHBondContact O-N 3.23Å; Y152-T154 PolarHBondContact O-N 3.13Å
153L95.9Very high97.5Very high0 Ų013.1 Ų13.10%06%0.058CC..THydrogen-bonded Turntrans-73.10174.1-61.2-176.4000114.6S15 F18 Y149 L150 H151 I155S15-L153 VanDerWaalsContact CA-CD2 3.45Å; F18-L153 HydrophobicContact CB-CD1 4.24Å; F18-L153 HydrophobicContact CB-CD2 3.78Å; F18-L153 HydrophobicContact CD1-CB 4.34Å; F18-L153 HydrophobicContact CD1-CD1 4.16Å; F18-L153 HydrophobicContact CD1-CD2 3.95Å; F18-L153 HydrophobicContact CD1-CG 4.39Å; F18-L153 HydrophobicContact CD2-CD1 3.51Å; F18-L153 HydrophobicContact CD2-CD2 4.49Å; F18-L153 HydrophobicContact CE1-CB 4.42Å; F18-L153 HydrophobicContact CE2-CD1 3.91Å; F18-L153 HydrophobicContact CG-CD1 3.69Å; F18-L153 HydrophobicContact CG-CD2 3.81Å; F18-L153 HydrophobicContact CG-CG 4.25Å; F18-L153 HydrophobicContact CZ-CD1 4.42Å; Y149-L153 HydrophobicContact CD1-CD1 4.11Å; Y149-L153 HydrophobicContact CE1-CD1 3.45Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.45Å; Y149-L153 HydrophobicContact CE1-CG 4.33Å; Y149-L153 HydrophobicContact CE2-CD1 4.05Å; Y149-L153 HydrophobicContact CE2-CD2 4.36Å; Y149-L153 HydrophobicContact CE2-CG 4.24Å; Y149-L153 VanDerWaalsContact CZ-CD1 3.45Å; Y149-L153 WeakPolarHBondContact O-CG 3.4Å; Y149-L153 PolarHBondContact O-N 3.07Å; L150-L153 CarbonylContact O-C 3.56Å; L150-L153 WeakPolarHBondContact O-CA 3.39Å; L150-L153 WeakPolarHBondContact O-CB 3.25Å; L150-L153 PolarHBondContact O-N 3.21Å; L150-L153 VanDerWaalsContact O-N 3.12Å; H151-L153 VanDerWaalsContact C-N 3.31Å; H151-L153 PolarHBondContact O-N 2.84Å; L153-I155 HydrophobicContact CB-CD1 3.91Å; L153-I155 HydrophobicContact CB-CG1 4.02Å; L153-I155 HydrophobicContact CD1-CD1 4.06Å
154T96.1Very high97.4Very high18 Ų1813.5 Ų13.511%0.116%0.06CC..THydrogen-bonded Turntrans67.730.3-17369.20000116.6L150 H151 Y152 L183 V184 K186 Y212L150-T154 PolarHBondContact O-N 3.04Å; H151-T154 WeakPolarHBondContact O-CA 3.29Å; H151-T154 PolarHBondContact O-N 3.41Å; Y152-T154 PolarHBondContact O-N 3.13Å; T154-L183 CarbonylContact O-C 3.55Å; T154-L183 WeakPolarHBondContact O-CA 3.46Å; T154-V184 PolarHBondContact O-N 3.09Å; T154-K186 HydrophobicContact CG2-CG 3.94Å; T154-Y212 VanDerWaalsContact C-OH 3.29Å; T154-Y212 WeakPolarHBondContact CA-OH 3.49Å; T154-Y212 WeakPolarHBondContact CB-OH 3.39Å; T154-Y212 PolarHBondContact O-OH 2.96Å
155I98Very high97.4Very high0 Ų013.5 Ų13.50%06%0.061CC..EExtended strand (participates in β ladder)trans-105.1127.3-179.4-57.3173.7000109.4F18 I87 L150 H151 L153 A181 K182 Y212F18-I155 HydrophobicContact CE1-CD1 4.32Å; F18-I155 HydrophobicContact CE2-CD1 3.86Å; F18-I155 HydrophobicContact CZ-CD1 3.58Å; F18-I155 HydrophobicContact CZ-CG1 4.47Å; I87-I155 HydrophobicContact CD1-CG2 4.2Å; I87-I155 HydrophobicContact CG1-CD1 4.4Å; I87-I155 HydrophobicContact CG2-CD1 3.86Å; L150-I155 CarbonylContact C-O 3.46Å; L150-I155 HydrophobicContact CB-CB 4.25Å; L150-I155 HydrophobicContact CD2-CB 4.3Å; L150-I155 HydrophobicContact CD2-CD1 4.07Å; L150-I155 HydrophobicContact CD2-CG2 4.23Å; L150-I155 WeakPolarHBondContact O-CB 3.5Å; L150-I155 PolarHBondContact O-N 3.19Å; H151-I155 PolarHBondContact CD2-O 3.11Å; L153-I155 HydrophobicContact CB-CD1 3.91Å; L153-I155 HydrophobicContact CB-CG1 4.02Å; L153-I155 HydrophobicContact CD1-CD1 4.06Å; I155-A181 HydrophobicContact CG2-CB 3.88Å; I155-K182 WeakPolarHBondContact CA-O 3.43Å; I155-Y212 WeakPolarHBondContact O-CD1 3.43Å; I155-Y212 WeakPolarHBondContact O-CE1 3.4Å
156V98.2Very high97.3Very high0 Ų014.7 Ų14.70%07%0.068CC..EExtended strand (participates in β ladder)trans-93.1129.9167.7-163.80000107.7R158 A181 K182 V184 Y212 V214V156-R158 HydrophobicContact CB-CG 3.93Å; V156-R158 HydrophobicContact CG1-CG 3.42Å; V156-R158 VanDerWaalsContact CG1-CG 3.42Å; V156-A181 CarbonylContact O-C 3.48Å; V156-A181 VanDerWaalsContact O-CA 3.25Å; V156-A181 WeakPolarHBondContact O-CA 3.37Å; V156-K182 PolarHBondContact N-O 3.03Å; V156-K182 PolarHBondContact O-N 2.96Å; V156-V184 HydrophobicContact CG2-CB 4.06Å; V156-V184 HydrophobicContact CG2-CG2 3.8Å; V156-Y212 HydrophobicContact CB-CD1 4.18Å; V156-Y212 HydrophobicContact CG2-CD1 3.55Å; V156-Y212 HydrophobicContact CG2-CE1 3.64Å; V156-V214 HydrophobicContact CG1-CG2 3.67Å
157Y98.4Very high97.2Very high0 Ų014.7 Ų14.70%07%0.067CC..  trans-81.4-50.4-173.4-179.2-115000113.3L147 L150 D159 L160 N164 L175 T176 D177 L178 F180 A181 D215L147-Y157 HydrophobicContact CD2-CD1 4.42Å; L147-Y157 HydrophobicContact CD2-CG 4.39Å; L150-Y157 HydrophobicContact CD1-CD2 4.03Å; L150-Y157 HydrophobicContact CD1-CG 4.31Å; Y157-D159 VanDerWaalsContact C-N 3.29Å; Y157-D159 VanDerWaalsContact CE1-O 3.31Å; Y157-D159 WeakPolarHBondContact CE1-O 3.5Å; Y157-D159 PolarHBondContact O-N 3.46Å; Y157-L160 HydrophobicContact CD1-CB 3.97Å; Y157-L160 HydrophobicContact CE1-CB 4.03Å; Y157-L160 HydrophobicContact CE1-CD1 4.43Å; Y157-L160 VanDerWaalsContact CE1-N 3.3Å; Y157-N164 VanDerWaalsContact OH-CB 3.3Å; Y157-N164 WeakPolarHBondContact OH-CB 3.43Å; Y157-N164 PolarHBondContact OH-ND2 3.44Å; Y157-L175 HydrophobicContact CD1-CD1 4.41Å; Y157-L175 HydrophobicContact CD1-CD2 4.33Å; Y157-L175 HydrophobicContact CD2-CD2 3.87Å; Y157-L175 HydrophobicContact CD2-CG 4.48Å; Y157-L175 HydrophobicContact CE1-CD1 3.65Å; Y157-L175 HydrophobicContact CE1-CD2 4.21Å; Y157-L175 HydrophobicContact CE1-CG 4.24Å; Y157-L175 HydrophobicContact CE2-CD1 4.18Å; Y157-L175 HydrophobicContact CE2-CD2 3.77Å; Y157-L175 HydrophobicContact CE2-CG 3.89Å; Y157-L175 HydrophobicContact CG-CD2 4.17Å; Y157-L175 WeakPolarHBondContact OH-CD1 3.46Å; Y157-T176 PolarHBondContact OH-O 3.41Å; Y157-D177 PolarHBondContact OH-O 2.91Å; Y157-L178 HydrophobicContact CD2-CD2 3.54Å; Y157-L178 HydrophobicContact CE2-CD2 3.61Å; Y157-L178 HydrophobicContact CE2-CG 4.23Å; Y157-F180 CarbonylContact O-C 3.49Å; Y157-A181 HydrophobicContact CD2-CB 4.47Å; Y157-A181 PolarHBondContact O-N 3.22Å; Y157-D215 PolarHBondContact N-OD1 3.01Å; Y157-D215 PolarHBondContact N-OD2 3.08Å
158R97.9Very high97Very high20 Ų2016.8 Ų16.88%0.0758%0.077CC..  trans69.30.7168.6-49.3-175.4-66.41623.9118.1V156 F180 C194 G195 Y210 V214 D215V156-R158 HydrophobicContact CB-CG 3.93Å; V156-R158 HydrophobicContact CG1-CG 3.42Å; V156-R158 VanDerWaalsContact CG1-CG 3.42Å; R158-F180 HydrophobicContact CB-CB 4.4Å; R158-F180 PolarHBondContact NE-O 2.67Å; R158-F180 PolarHBondContact NH2-O 2.96Å; R158-C194 PolarHBondContact NH1-SG 3.07Å; R158-G195 WeakPolarHBondContact O-CA 3.3Å; R158-Y210 WeakPolarHBondContact CD-OH 3.2Å; R158-Y210 HydrophobicContact CG-CE2 4.33Å; R158-Y210 PolarHBondContact NH1-OH 2.95Å; R158-V214 HydrophobicContact CG-CG2 4.38Å; R158-D215 PolarHBondContact N-OD1 2.89Å
159D97Very high96.7Very high2 Ų217.8 Ų17.81%0.0119%0.086CC..  trans-140.944.3176.1-159.740.5000112.7Y157 K161 N164 F180 T196Y157-D159 VanDerWaalsContact C-N 3.29Å; Y157-D159 VanDerWaalsContact CE1-O 3.31Å; Y157-D159 WeakPolarHBondContact CE1-O 3.5Å; Y157-D159 PolarHBondContact O-N 3.46Å; D159-K161 PolarHBondContact O-N 3Å; D159-K161 IonicContact OD1-NZ 3Å; D159-K161 PolarHBondContact OD1-NZ 3.42Å; D159-K161 VanDerWaalsContact OD2-CE 3.22Å; D159-K161 WeakPolarHBondContact OD2-CE 3.34Å; D159-K161 IonicContact OD2-NZ 3.63Å; D159-K161 PolarHBondContact OD2-NZ 2.86Å; D159-N164 PolarHBondContact O-ND2 3.11Å; D159-N164 PolarHBondContact OD2-ND2 3.27Å; D159-F180 HydrophobicContact CB-CB 4.08Å; D159-F180 HydrophobicContact CB-CD2 3.55Å; D159-F180 HydrophobicContact CB-CE2 4.44Å; D159-F180 HydrophobicContact CB-CG 4.24Å; D159-T196 PolarHBondContact OD1-N 3.13Å; D159-T196 VanDerWaalsContact OD1-N 3.07Å; D159-T196 PolarHBondContact OD1-OG1 3.43Å
160L98.5Very high96.6Very high0 Ų020.2 Ų20.20%010%0.099CC..  trans-70.3122.3173.8-176.969.9000110.2V143 L147 Y157 L165 L175 Y199 A218 F219 L222V143-L160 HydrophobicContact CG1-CD1 3.76Å; V143-L160 HydrophobicContact CG1-CD2 3.74Å; V143-L160 HydrophobicContact CG1-CG 4.43Å; L147-L160 HydrophobicContact CD1-CD2 4.26Å; Y157-L160 HydrophobicContact CD1-CB 3.97Å; Y157-L160 HydrophobicContact CE1-CB 4.03Å; Y157-L160 HydrophobicContact CE1-CD1 4.43Å; Y157-L160 VanDerWaalsContact CE1-N 3.3Å; L160-L165 HydrophobicContact CD1-CD1 4.23Å; L160-L165 HydrophobicContact CD1-CD2 4.08Å; L160-L165 HydrophobicContact CD1-CG 4.42Å; L160-L175 HydrophobicContact CD1-CD1 4.07Å; L160-Y199 WeakPolarHBondContact O-CD1 3.41Å; L160-Y199 WeakPolarHBondContact O-CE1 3.4Å; L160-A218 HydrophobicContact CB-CB 3.97Å; L160-A218 HydrophobicContact CD2-CB 4.36Å; L160-F219 HydrophobicContact CD2-CB 3.97Å; L160-F219 HydrophobicContact CD2-CD2 4.39Å; L160-L222 HydrophobicContact CD1-CD2 4.15Å; L160-L222 HydrophobicContact CD2-CB 4.42Å; L160-L222 HydrophobicContact CD2-CD2 4Å; L160-L222 HydrophobicContact CG-CD2 4.13Å
161K97.6Very high96.5Very high33 Ų3320.2 Ų20.214%0.14310%0.099CC..SBendtrans-163.6160.9175.560.3-176.3163-162.50109.8D159 E163 N164 T196 Y199D159-K161 PolarHBondContact O-N 3Å; D159-K161 IonicContact OD1-NZ 3Å; D159-K161 PolarHBondContact OD1-NZ 3.42Å; D159-K161 VanDerWaalsContact OD2-CE 3.22Å; D159-K161 WeakPolarHBondContact OD2-CE 3.34Å; D159-K161 IonicContact OD2-NZ 3.63Å; D159-K161 PolarHBondContact OD2-NZ 2.86Å; K161-E163 WeakPolarHBondContact CB-OE2 3.44Å; K161-E163 HydrophobicContact CD-CB 4.23Å; K161-E163 WeakPolarHBondContact CD-OE2 3.46Å; K161-E163 HydrophobicContact CG-CB 4.2Å; K161-E163 VanDerWaalsContact CG-OE2 3.3Å; K161-E163 WeakPolarHBondContact CG-OE2 3.18Å; K161-E163 PolarHBondContact O-N 3.21Å; K161-N164 VanDerWaalsContact CE-ND2 3.28Å; K161-N164 WeakPolarHBondContact CE-ND2 3.37Å; K161-N164 HydrophobicContact CG-CB 4.26Å; K161-N164 PolarHBondContact O-N 3.02Å; K161-N164 VanDerWaalsContact O-N 3.09Å; K161-T196 HydrophobicContact CD-CG2 4.22Å; K161-T196 WeakPolarHBondContact CD-OG1 3.36Å; K161-T196 PolarHBondContact NZ-OG1 3.36Å; K161-Y199 HydrophobicContact CB-CD2 4.08Å; K161-Y199 HydrophobicContact CB-CE1 4.29Å; K161-Y199 HydrophobicContact CB-CE2 3.89Å; K161-Y199 HydrophobicContact CB-CG 4.4Å
162P97.9Very high96.5Very high1 Ų119.6 Ų19.61%0.00610%0.096CC..G310 helixtrans-55.5-31.4-179-27.834000114.7L121 F122 N164 L165 Y199 L222L121-P162 HydrophobicContact CB-CB 4.19Å; L121-P162 PolarHBondContact N-O 3.46Å; F122-P162 HydrophobicContact CB-CB 3.74Å; F122-P162 HydrophobicContact CD2-CB 4.32Å; F122-P162 PolarHBondContact N-O 3.5Å; P162-N164 VanDerWaalsContact C-N 3.28Å; P162-N164 PolarHBondContact O-N 3.3Å; P162-L165 PolarHBondContact O-N 3.43Å; P162-Y199 WeakPolarHBondContact CD-OH 3.3Å; P162-L222 HydrophobicContact CG-CD1 3.68Å
163E95.4Very high96.7Very high74 Ų7415.6 Ų15.635%0.3468%0.081SC..G310 helixtrans-65.1-32179.2-62.588.5149.300112.1F122 K161 L165F122-E163 HydrophobicContact CB-CB 4.43Å; F122-E163 HydrophobicContact CB-CG 3.72Å; F122-E163 HydrophobicContact CD1-CG 4.36Å; F122-E163 HydrophobicContact CD2-CG 4.1Å; F122-E163 WeakPolarHBondContact CD2-OE1 3.07Å; F122-E163 HydrophobicContact CG-CG 3.82Å; K161-E163 WeakPolarHBondContact CB-OE2 3.44Å; K161-E163 HydrophobicContact CD-CB 4.23Å; K161-E163 WeakPolarHBondContact CD-OE2 3.46Å; K161-E163 HydrophobicContact CG-CB 4.2Å; K161-E163 VanDerWaalsContact CG-OE2 3.3Å; K161-E163 WeakPolarHBondContact CG-OE2 3.18Å; K161-E163 PolarHBondContact O-N 3.21Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.23Å
164N96.6Very high96.8Very high10 Ų1017.2 Ų17.25%0.0539%0.087CC..G310 helixtrans-90.911.5-179.1-69.8-7.7000112.8Y157 D159 K161 P162 T176Y157-N164 VanDerWaalsContact OH-CB 3.3Å; Y157-N164 WeakPolarHBondContact OH-CB 3.43Å; Y157-N164 PolarHBondContact OH-ND2 3.44Å; D159-N164 PolarHBondContact O-ND2 3.11Å; D159-N164 PolarHBondContact OD2-ND2 3.27Å; K161-N164 VanDerWaalsContact CE-ND2 3.28Å; K161-N164 WeakPolarHBondContact CE-ND2 3.37Å; K161-N164 HydrophobicContact CG-CB 4.26Å; K161-N164 PolarHBondContact O-N 3.02Å; K161-N164 VanDerWaalsContact O-N 3.09Å; P162-N164 VanDerWaalsContact C-N 3.28Å; P162-N164 PolarHBondContact O-N 3.3Å; N164-T176 HydrophobicContact CB-CG2 4.48Å; N164-T176 WeakPolarHBondContact O-CG2 3.34Å; N164-T176 PolarHBondContact O-N 2.81Å
165L98.3Very high96.9Very high1 Ų116.5 Ų16.51%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-118.193.8178.9-61.2171.9000108.8D120 L121 V143 L160 P162 E163 I173 L175 L222D120-L165 CarbonylContact C-O 3.55Å; D120-L165 WeakPolarHBondContact CA-O 3.18Å; L121-L165 HydrophobicContact CB-CB 4.18Å; L121-L165 HydrophobicContact CD1-CB 3.72Å; L121-L165 HydrophobicContact CD1-CD1 3.8Å; L121-L165 HydrophobicContact CD1-CG 4.4Å; L121-L165 HydrophobicContact CG-CB 3.92Å; L121-L165 PolarHBondContact N-O 3.3Å; V143-L165 HydrophobicContact CG2-CD1 3.93Å; V143-L165 HydrophobicContact CG2-CD2 3.82Å; L160-L165 HydrophobicContact CD1-CD1 4.23Å; L160-L165 HydrophobicContact CD1-CD2 4.08Å; L160-L165 HydrophobicContact CD1-CG 4.42Å; P162-L165 PolarHBondContact O-N 3.43Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.23Å; L165-I173 HydrophobicContact CD2-CD1 3.76Å; L165-L175 HydrophobicContact CD2-CD1 3.51Å; L165-L222 HydrophobicContact CD1-CD1 3.98Å; L165-L222 HydrophobicContact CD1-CD2 3.6Å; L165-L222 HydrophobicContact CD1-CG 4.45Å
166V96.4Very high96.8Very high25 Ų2517.6 Ų17.615%0.1529%0.09CC..EExtended strand (participates in β ladder)trans-91.3142.5-176.9-61.20000111.6I97 A116 G119 D120 I173 K174 T176I97-V166 HydrophobicContact CD1-CG2 4.03Å; A116-V166 HydrophobicContact CB-CB 3.6Å; A116-V166 HydrophobicContact CB-CG2 3.41Å; A116-V166 VanDerWaalsContact CB-CG2 3.41Å; G119-V166 CarbonylContact O-C 3.58Å; G119-V166 VanDerWaalsContact O-CA 3.29Å; G119-V166 WeakPolarHBondContact O-CA 3.42Å; D120-V166 HydrophobicContact CB-CG1 4.45Å; V166-I173 CarbonylContact O-C 3.38Å; V166-I173 WeakPolarHBondContact O-CA 3.03Å; V166-K174 HydrophobicContact CG2-CB 3.91Å; V166-K174 WeakPolarHBondContact CG2-O 3.46Å; V166-K174 PolarHBondContact N-O 3.49Å; V166-K174 PolarHBondContact O-N 3.49Å; V166-T176 HydrophobicContact CG1-CG2 3.83Å; V166-T176 HydrophobicContact CG2-CG2 4.43Å
167I96.3Very high96.5Very high0 Ų019.8 Ų19.80%010%0.102CC..EExtended strand (participates in β ladder)trans-97.4119.5-173.9-48.6171.1000109.2A116 G118 G119 L121 L124 F172 I173 Y309 P311A116-I167 CarbonylContact C-O 3.54Å; A116-I167 WeakPolarHBondContact CB-O 3.39Å; G118-I167 VanDerWaalsContact CA-O 3.22Å; G118-I167 WeakPolarHBondContact CA-O 3.32Å; G118-I167 PolarHBondContact N-O 2.75Å; G119-I167 PolarHBondContact O-N 3.32Å; L121-I167 HydrophobicContact CD2-CD1 3.78Å; L121-I167 HydrophobicContact CD2-CG1 3.86Å; L121-I167 HydrophobicContact CG-CG1 4.36Å; L124-I167 HydrophobicContact CB-CD1 4.21Å; L124-I167 HydrophobicContact CD2-CD1 3.46Å; L124-I167 VanDerWaalsContact CD2-CD1 3.46Å; L124-I167 HydrophobicContact CG-CD1 4.48Å; I167-F172 CarbonylContact C-O 3.53Å; I167-I173 HydrophobicContact CG1-CG2 4.38Å; I167-Y309 HydrophobicContact CD1-CD1 4.25Å; I167-Y309 HydrophobicContact CD1-CE1 4.06Å; I167-Y309 HydrophobicContact CG2-CD1 4.42Å; I167-Y309 HydrophobicContact CG2-CE1 4.46Å; I167-P311 HydrophobicContact CG2-CG 3.73Å
168H94.1Very high96.3Very high45 Ų4519.8 Ų19.821%0.20810%0.102CC..PPolyproline II helixtrans-79166.4176.2-171.8-101.8000111.5E114 N170 G171 F172E114-H168 IonicContact OE1-CD2 2.63Å; E114-H168 IonicContact OE1-NE2 3.58Å; H168-N170 WeakPolarHBondContact CB-OD1 3.5Å; H168-N170 PolarHBondContact ND1-OD1 3.37Å; H168-N170 VanDerWaalsContact ND1-OD1 3.1Å; H168-N170 PolarHBondContact O-N 2.81Å; H168-N170 VanDerWaalsContact O-N 3.1Å; H168-G171 PolarHBondContact O-N 2.88Å; H168-F172 PolarHBondContact N-O 2.86Å
169S91.5Very high96.1Very high37 Ų3719.5 Ų19.526%0.25910%0.104SC..THydrogen-bonded Turntrans-59.5-25.2-17559.40000114.3I117 G171I117-S169 VanDerWaalsContact CG2-CA 3.49Å; S169-G171 VanDerWaalsContact C-N 3.29Å
170N93.7Very high96Very high52 Ų5222.1 Ų22.128%0.27812%0.116SC..THydrogen-bonded Turntrans-84.86.4175.664.1-2.8000113.5H168 F172 P307H168-N170 WeakPolarHBondContact CB-OD1 3.5Å; H168-N170 PolarHBondContact ND1-OD1 3.37Å; H168-N170 VanDerWaalsContact ND1-OD1 3.1Å; H168-N170 PolarHBondContact O-N 2.81Å; H168-N170 VanDerWaalsContact O-N 3.1Å; N170-F172 VanDerWaalsContact C-N 3.29Å; N170-F172 HydrophobicContact CB-CD2 4.31Å; N170-F172 WeakPolarHBondContact O-CD2 3.27Å; N170-F172 PolarHBondContact O-N 3.36Å; N170-F172 PolarHBondContact OD1-N 3.19Å; N170-P307 WeakPolarHBondContact O-CG 3.34Å
171G96.1Very high95.9Very high0 Ų022.2 Ų22.20%012%0.117CC..SBendtrans81.1-2.5177.300000115.9H168 S169 Y309H168-G171 PolarHBondContact O-N 2.88Å; S169-G171 VanDerWaalsContact C-N 3.29Å; G171-Y309 WeakPolarHBondContact CA-O 3.47Å
172F98.2Very high95.9Very high8 Ų824.2 Ų24.24%0.03513%0.126CC..  trans-86161.6173-70-100.3000111.1F95 F138 Q142 I167 H168 N170 L300 L303 I305F95-F172 AromaticContact CE1-CD1 3.93Å; F95-F172 HydrophobicContact CE1-CD1 3.93Å; F138-F172 HydrophobicContact CE1-CD1 4.43Å; F138-F172 HydrophobicContact CE2-CD1 4.09Å; F138-F172 AromaticContact CE2-CE1 3.64Å; F138-F172 HydrophobicContact CE2-CE1 3.64Å; F138-F172 HydrophobicContact CE2-CZ 4.03Å; F138-F172 AromaticContact CZ-CD1 3.54Å; F138-F172 HydrophobicContact CZ-CD1 3.54Å; F138-F172 HydrophobicContact CZ-CD2 4.3Å; F138-F172 AromaticContact CZ-CE1 3.52Å; F138-F172 HydrophobicContact CZ-CE1 3.52Å; F138-F172 HydrophobicContact CZ-CE2 4.26Å; F138-F172 AromaticContact CZ-CG 3.97Å; F138-F172 HydrophobicContact CZ-CG 3.97Å; F138-F172 AromaticContact CZ-CZ 3.89Å; F138-F172 HydrophobicContact CZ-CZ 3.89Å; Q142-F172 HydrophobicContact CG-CD1 4.47Å; I167-F172 CarbonylContact C-O 3.53Å; H168-F172 PolarHBondContact N-O 2.86Å; N170-F172 VanDerWaalsContact C-N 3.29Å; N170-F172 HydrophobicContact CB-CD2 4.31Å; N170-F172 WeakPolarHBondContact O-CD2 3.27Å; N170-F172 PolarHBondContact O-N 3.36Å; N170-F172 PolarHBondContact OD1-N 3.19Å; F172-L300 HydrophobicContact CE1-CD1 4.14Å; F172-L303 HydrophobicContact CB-CD2 4.07Å; F172-L303 HydrophobicContact CD1-CD2 3.37Å; F172-L303 HydrophobicContact CD2-CB 4.43Å; F172-L303 HydrophobicContact CD2-CD2 3.95Å; F172-L303 HydrophobicContact CE1-CB 4.3Å; F172-L303 HydrophobicContact CE1-CD2 3.62Å; F172-L303 HydrophobicContact CE2-CB 3.99Å; F172-L303 HydrophobicContact CE2-CD2 4.19Å; F172-L303 HydrophobicContact CG-CD2 3.53Å; F172-L303 VanDerWaalsContact CZ-CA 3.48Å; F172-L303 HydrophobicContact CZ-CB 3.91Å; F172-L303 HydrophobicContact CZ-CD2 4.03Å; F172-I305 WeakPolarHBondContact CZ-O 3.05Å
173I98.5Very high95.8Very high2 Ų226.1 Ų26.11%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-97.8159.5179.459.2141.7000112.8L121 Y139 Q142 V143 L165 V166 I167L121-I173 HydrophobicContact CD1-CG2 4.03Å; L121-I173 HydrophobicContact CD2-CG2 4.17Å; L121-I173 HydrophobicContact CG-CG2 4.06Å; Y139-I173 HydrophobicContact CD1-CB 4.48Å; Y139-I173 HydrophobicContact CD1-CG1 4.37Å; Y139-I173 HydrophobicContact CD1-CG2 3.42Å; Y139-I173 VanDerWaalsContact CD1-CG2 3.42Å; Y139-I173 HydrophobicContact CE1-CG2 3.61Å; Y139-I173 HydrophobicContact CG-CG2 4.33Å; Q142-I173 HydrophobicContact CB-CD1 3.84Å; Q142-I173 HydrophobicContact CB-CG1 3.63Å; Q142-I173 HydrophobicContact CG-CG1 4.28Å; Q142-I173 VanDerWaalsContact OE1-CG1 3.24Å; V143-I173 HydrophobicContact CG2-CD1 3.71Å; L165-I173 HydrophobicContact CD2-CD1 3.76Å; V166-I173 CarbonylContact O-C 3.38Å; V166-I173 WeakPolarHBondContact O-CA 3.03Å; I167-I173 HydrophobicContact CG1-CG2 4.38Å
174K98.3Very high95.8Very high33 Ų3322.8 Ų22.814%0.14312%0.12CC..EExtended strand (participates in β ladder)trans-127129.5165.7-61.7-78.5-172.6145.40107.9T94 I97 E114 V166T94-K174 VanDerWaalsContact O-CD 3.24Å; T94-K174 WeakPolarHBondContact O-CD 3.26Å; T94-K174 WeakPolarHBondContact O-CE 3.23Å; T94-K174 PolarHBondContact O-NZ 2.67Å; I97-K174 HydrophobicContact CB-CB 4.32Å; I97-K174 HydrophobicContact CD1-CB 3.81Å; I97-K174 HydrophobicContact CD1-CG 4.09Å; E114-K174 WeakPolarHBondContact OE1-CE 3.47Å; E114-K174 IonicContact OE1-NZ 3.86Å; E114-K174 PolarHBondContact OE1-NZ 3.35Å; E114-K174 WeakPolarHBondContact OE2-CE 3.28Å; E114-K174 IonicContact OE2-NZ 3.25Å; E114-K174 PolarHBondContact OE2-NZ 3.3Å; V166-K174 HydrophobicContact CG2-CB 3.91Å; V166-K174 WeakPolarHBondContact CG2-O 3.46Å; V166-K174 PolarHBondContact N-O 3.49Å; V166-K174 PolarHBondContact O-N 3.49Å
175L98.4Very high95.8Very high3 Ų324.4 Ų24.42%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-70.1126.1166.8-170.268.1000108.5F95 I96 I97 A146 L150 Y157 L160 L165F95-L175 WeakPolarHBondContact O-CB 3.17Å; F95-L175 PolarHBondContact O-N 2.95Å; I96-L175 HydrophobicContact CG1-CB 4.48Å; I97-L175 PolarHBondContact N-O 2.83Å; A146-L175 HydrophobicContact CB-CB 4.46Å; A146-L175 HydrophobicContact CB-CD2 4.3Å; L150-L175 HydrophobicContact CD1-CD2 3.8Å; Y157-L175 HydrophobicContact CD1-CD1 4.41Å; Y157-L175 HydrophobicContact CD1-CD2 4.33Å; Y157-L175 HydrophobicContact CD2-CD2 3.87Å; Y157-L175 HydrophobicContact CD2-CG 4.48Å; Y157-L175 HydrophobicContact CE1-CD1 3.65Å; Y157-L175 HydrophobicContact CE1-CD2 4.21Å; Y157-L175 HydrophobicContact CE1-CG 4.24Å; Y157-L175 HydrophobicContact CE2-CD1 4.18Å; Y157-L175 HydrophobicContact CE2-CD2 3.77Å; Y157-L175 HydrophobicContact CE2-CG 3.89Å; Y157-L175 HydrophobicContact CG-CD2 4.17Å; Y157-L175 WeakPolarHBondContact OH-CD1 3.46Å; L160-L175 HydrophobicContact CD1-CD1 4.07Å; L165-L175 HydrophobicContact CD2-CD1 3.51Å
176T95.7Very high95.5Very high24 Ų2432.4 Ų32.415%0.14717%0.166CC..  trans-120.2-175.8178.5-169.70000110.9Y157 N164 V166Y157-T176 PolarHBondContact OH-O 3.41Å; N164-T176 HydrophobicContact CB-CG2 4.48Å; N164-T176 WeakPolarHBondContact O-CG2 3.34Å; N164-T176 PolarHBondContact O-N 2.81Å; V166-T176 HydrophobicContact CG1-CG2 3.83Å; V166-T176 HydrophobicContact CG2-CG2 4.43Å
177D92.5Very high95.3Very high46 Ų4638.7 Ų38.725%0.24619%0.193CC..  trans49.181177.1-156.14.2000114.3K65 Y157 G179K65-D177 IonicContact NZ-OD1 2.64Å; K65-D177 PolarHBondContact NZ-OD1 3.05Å; Y157-D177 PolarHBondContact OH-O 2.91Å; D177-G179 PolarHBondContact O-N 3.17Å
178L94.5Very high95.3Very high0 Ų044.3 Ų44.30%022%0.218CC..  trans-90.918.4178.8-75158.7000111.8E84 I87 L88 I96 L150 Y157 F180 A181E84-L178 HydrophobicContact CG-CB 4.17Å; E84-L178 PolarHBondContact OE1-N 3.32Å; I87-L178 HydrophobicContact CG2-CD1 3.93Å; I87-L178 HydrophobicContact CG2-CD2 4.32Å; I87-L178 HydrophobicContact CG2-CG 4.5Å; L88-L178 HydrophobicContact CD2-CD1 3.4Å; L88-L178 VanDerWaalsContact CD2-CD1 3.4Å; L88-L178 HydrophobicContact CD2-CG 4.44Å; L88-L178 HydrophobicContact CG-CB 4.28Å; L88-L178 HydrophobicContact CG-CD1 3.6Å; L88-L178 HydrophobicContact CG-CG 4.46Å; I96-L178 HydrophobicContact CG2-CD1 4.23Å; L150-L178 HydrophobicContact CD1-CD2 4.3Å; Y157-L178 HydrophobicContact CD2-CD2 3.54Å; Y157-L178 HydrophobicContact CE2-CD2 3.61Å; Y157-L178 HydrophobicContact CE2-CG 4.23Å; L178-F180 PolarHBondContact O-N 3.28Å; L178-A181 HydrophobicContact CB-CB 4Å; L178-A181 HydrophobicContact CD2-CB 3.52Å; L178-A181 HydrophobicContact CG-CB 4.39Å; L178-A181 VanDerWaalsContact O-CB 3.3Å; L178-A181 WeakPolarHBondContact O-CB 3.43Å; L178-A181 PolarHBondContact O-N 3.46Å
179G92.9Very high95.4Very high13 Ų1347.6 Ų47.613%0.13423%0.228CC..THydrogen-bonded Turntrans-59.7-29.5-178.800000114.7N80 D177N80-G179 PolarHBondContact ND2-O 2.97Å; D177-G179 PolarHBondContact O-N 3.17Å
180F94.6Very high95.7Very high57 Ų5746 Ų4625%0.2522%0.217CC..THydrogen-bonded Turntrans-98.6-1.6172.3-64.9-62.9000113.3Y157 R158 D159 L178 C194Y157-F180 CarbonylContact O-C 3.49Å; R158-F180 HydrophobicContact CB-CB 4.4Å; R158-F180 PolarHBondContact NE-O 2.67Å; R158-F180 PolarHBondContact NH2-O 2.96Å; D159-F180 HydrophobicContact CB-CB 4.08Å; D159-F180 HydrophobicContact CB-CD2 3.55Å; D159-F180 HydrophobicContact CB-CE2 4.44Å; D159-F180 HydrophobicContact CB-CG 4.24Å; L178-F180 PolarHBondContact O-N 3.28Å; F180-C194 HydrophobicContact CD1-CB 3.61Å; F180-C194 HydrophobicContact CE1-CB 3.82Å; F180-C194 HydrophobicContact CG-CB 4.45Å
181A97.2Very high95.9Very high3 Ų350.3 Ų50.33%0.02523%0.229CC..  trans-68.8147.6177.600000111N83 I87 I155 V156 Y157 L178N83-A181 PolarHBondContact ND2-O 3.06Å; I87-A181 HydrophobicContact CD1-CB 3.84Å; I155-A181 HydrophobicContact CG2-CB 3.88Å; V156-A181 CarbonylContact O-C 3.48Å; V156-A181 VanDerWaalsContact O-CA 3.25Å; V156-A181 WeakPolarHBondContact O-CA 3.37Å; Y157-A181 HydrophobicContact CD2-CB 4.47Å; Y157-A181 PolarHBondContact O-N 3.22Å; L178-A181 HydrophobicContact CB-CB 4Å; L178-A181 HydrophobicContact CD2-CB 3.52Å; L178-A181 HydrophobicContact CG-CB 4.39Å; L178-A181 VanDerWaalsContact O-CB 3.3Å; L178-A181 WeakPolarHBondContact O-CB 3.43Å; L178-A181 PolarHBondContact O-N 3.46Å
182K96.2Very high95.8Very high74 Ų7453.3 Ų53.332%0.32225%0.248SC..EExtended strand (participates in β ladder)trans-147.2131-178.7-173.6174.5-177.6178.20111.3I155 V156 V184 T190I155-K182 WeakPolarHBondContact CA-O 3.43Å; V156-K182 PolarHBondContact N-O 3.03Å; V156-K182 PolarHBondContact O-N 2.96Å; K182-V184 HydrophobicContact CB-CG2 4.26Å; K182-V184 HydrophobicContact CD-CG2 4.16Å; K182-V184 HydrophobicContact CG-CG2 3.92Å; K182-V184 PolarHBondContact O-N 3.18Å; K182-T190 PolarHBondContact NZ-OG1 3.41Å
183L95.9Very high95.6Very high42 Ų4258.5 Ų58.522%0.2228%0.275CS..EExtended strand (participates in β ladder)trans-70.5116168.4-163.6156.7000108.7F18 Y22 T154 P185F18-L183 HydrophobicContact CE1-CD1 4.3Å; Y22-L183 HydrophobicContact CD1-CD1 4.18Å; Y22-L183 HydrophobicContact CE1-CD1 3.81Å; T154-L183 CarbonylContact O-C 3.55Å; T154-L183 WeakPolarHBondContact O-CA 3.46Å; L183-P185 HydrophobicContact CD2-CG 4.26Å
184V96.8Very high95.4Very high4 Ų459 Ų592%0.02428%0.279CS..  trans-126104.2179-173.90000108.1T154 V156 K182 K188 T190 H211 Y212T154-V184 PolarHBondContact O-N 3.09Å; V156-V184 HydrophobicContact CG2-CB 4.06Å; V156-V184 HydrophobicContact CG2-CG2 3.8Å; K182-V184 HydrophobicContact CB-CG2 4.26Å; K182-V184 HydrophobicContact CD-CG2 4.16Å; K182-V184 HydrophobicContact CG-CG2 3.92Å; K182-V184 PolarHBondContact O-N 3.18Å; V184-K188 HydrophobicContact CG1-CB 4.21Å; V184-K188 WeakPolarHBondContact CG1-O 3.22Å; V184-T190 HydrophobicContact CG2-CG2 4.02Å; V184-H211 WeakPolarHBondContact CG1-CD2 3.11Å; V184-H211 PolarHBondContact O-NE2 3.49Å; V184-Y212 PolarHBondContact O-OH 3.28Å
185P94.9Very high95.1Very high43 Ų4358.1 Ų58.128%0.27928%0.28SS..  trans-52.3148.1179.3-27.635.2000112.3L183 H187 K188L183-P185 HydrophobicContact CD2-CG 4.26Å; P185-H187 PolarHBondContact O-N 3.3Å; P185-K188 HydrophobicContact CB-CB 4.44Å; P185-K188 HydrophobicContact CB-CD 4.48Å; P185-K188 HydrophobicContact CB-CG 4.27Å; P185-K188 HydrophobicContact CG-CD 4.18Å; P185-K188 HydrophobicContact CG-CG 4.48Å; P185-K188 PolarHBondContact O-N 3.27Å
186K92.4Very high94.9Very high169 Ų16959.3 Ų59.374%0.73529%0.287SS*.THydrogen-bonded Turntrans-53.5-28.9-173.6-64.2-176.3179.5-179.60115.1T154T154-K186 HydrophobicContact CG2-CG 3.94Å
187H92.8Very high94.9Very high157 Ų15759.9 Ų59.973%0.72729%0.291SS*.THydrogen-bonded Turntrans-93.41.6179.464.2-88.2000113.6P185P185-H187 PolarHBondContact O-N 3.3Å
188K96.7Very high95Very high118 Ų11859.5 Ų59.551%0.51329%0.289SS..  trans-112.8161.6-179.8-64.7-165.6177.6-177.40110.5V184 P185V184-K188 HydrophobicContact CG1-CB 4.21Å; V184-K188 WeakPolarHBondContact CG1-O 3.22Å; P185-K188 HydrophobicContact CB-CB 4.44Å; P185-K188 HydrophobicContact CB-CD 4.48Å; P185-K188 HydrophobicContact CB-CG 4.27Å; P185-K188 HydrophobicContact CG-CD 4.18Å; P185-K188 HydrophobicContact CG-CG 4.48Å; P185-K188 PolarHBondContact O-N 3.27Å
189R96.7Very high95.2Very high114 Ų11460.1 Ų60.143%0.4329%0.291SS..  trans-123.8166.5171.2-61.4-67.5-178.5159.4-2.2108.9W191 Y210 H211R189-W191 VanDerWaalsContact C-CZ3 3.48Å; R189-W191 HydrophobicContact CB-CE3 4.42Å; R189-W191 HydrophobicContact CB-CH2 3.63Å; R189-W191 HydrophobicContact CB-CZ2 4.17Å; R189-W191 HydrophobicContact CB-CZ3 3.77Å; R189-W191 WeakPolarHBondContact O-CZ3 3.43Å; R189-Y210 WeakPolarHBondContact CA-O 3.39Å; R189-Y210 WeakPolarHBondContact CD-O 3.46Å; R189-H211 VanDerWaalsContact NH1-CB 3.34Å
190T96.8Very high95.4Very high3 Ų360.2 Ų60.22%0.01829%0.289CS..BIsolated β-bridgetrans-123.3155.6170.4-176.30000109.4K182 V184 Y210K182-T190 PolarHBondContact NZ-OG1 3.41Å; V184-T190 HydrophobicContact CG2-CG2 4.02Å; T190-Y210 HydrophobicContact CG2-CD2 3.81Å; T190-Y210 HydrophobicContact CG2-CE1 4.16Å; T190-Y210 HydrophobicContact CG2-CE2 3.35Å; T190-Y210 HydrophobicContact CG2-CG 4.37Å; T190-Y210 PolarHBondContact N-O 3.29Å; T190-Y210 VanDerWaalsContact N-O 3.07Å; T190-Y210 WeakPolarHBondContact O-CD1 3.35Å; T190-Y210 WeakPolarHBondContact O-CE1 3.41Å; T190-Y210 PolarHBondContact O-N 3.33Å
191W97.4Very high95.6Very high143 Ų14357.5 Ų57.554%0.54228%0.277SS..  trans-126.53.2-177-73.2-101.3000112.6R189 L193 N207R189-W191 VanDerWaalsContact C-CZ3 3.48Å; R189-W191 HydrophobicContact CB-CE3 4.42Å; R189-W191 HydrophobicContact CB-CH2 3.63Å; R189-W191 HydrophobicContact CB-CZ2 4.17Å; R189-W191 HydrophobicContact CB-CZ3 3.77Å; R189-W191 WeakPolarHBondContact O-CZ3 3.43Å; W191-L193 PolarHBondContact O-N 3.33Å; W191-N207 PolarHBondContact O-OD1 2.98Å
192T94.9Very high95.7Very high64 Ų6457.5 Ų57.539%0.39328%0.276SS..  trans-63.3121.1-178.1-50.50000110.2C194 Y210T192-C194 HydrophobicContact CG2-CB 4.29Å; T192-C194 PolarHBondContact O-N 3.36Å; T192-Y210 WeakPolarHBondContact O-CE1 3.49Å; T192-Y210 PolarHBondContact O-OH 2.92Å
193L94.7Very high95.7Very high116 Ų11654.4 Ų54.461%0.60726%0.263SS*.  trans-74.6109.2169.2178.160.5000109W191 M200 I204 L205W191-L193 PolarHBondContact O-N 3.33Å; L193-M200 HydrophobicContact CD1-SD 4Å; L193-I204 HydrophobicContact CD1-CG2 3.74Å; L193-L205 HydrophobicContact CD1-CD2 4.43Å
194C93.7Very high95.8Very high12 Ų1252.7 Ų52.78%0.08125%0.254CS..  trans-160.1166.7179.964.80000111.6R158 F180 T192R158-C194 PolarHBondContact NH1-SG 3.07Å; F180-C194 HydrophobicContact CD1-CB 3.61Å; F180-C194 HydrophobicContact CE1-CB 3.82Å; F180-C194 HydrophobicContact CG-CB 4.45Å; T192-C194 HydrophobicContact CG2-CB 4.29Å; T192-C194 PolarHBondContact O-N 3.36Å
195G92.4Very high95.8Very high16 Ų1654.2 Ų54.217%0.16526%0.262CS..SBendtrans110.6-171.6-177.200000112.3R158 M200R158-G195 WeakPolarHBondContact O-CA 3.3Å; G195-M200 WeakPolarHBondContact O-CE 3.27Å
196T93.8Very high95.9Very high28 Ų2855.6 Ų55.617%0.17227%0.267CS..  trans-94.4126.2179-59.80000110.3D159 K161 D198 Y199 M200D159-T196 PolarHBondContact OD1-N 3.13Å; D159-T196 VanDerWaalsContact OD1-N 3.07Å; D159-T196 PolarHBondContact OD1-OG1 3.43Å; K161-T196 HydrophobicContact CD-CG2 4.22Å; K161-T196 WeakPolarHBondContact CD-OG1 3.36Å; K161-T196 PolarHBondContact NZ-OG1 3.36Å; T196-D198 PolarHBondContact O-N 2.95Å; T196-D198 VanDerWaalsContact O-N 3.16Å; T196-Y199 HydrophobicContact CG2-CD2 4.17Å; T196-Y199 WeakPolarHBondContact O-CA 3.28Å; T196-Y199 PolarHBondContact O-N 3.36Å; T196-M200 WeakPolarHBondContact O-CG 3.49Å; T196-M200 PolarHBondContact O-N 3.25Å
197P94.6Very high96Very high36 Ų3652.6 Ų52.623%0.23426%0.259CS..G310 helixtrans-46.3-48.5-170.3-34.438.1000115.7Y199 M200 F242 I245P197-Y199 PolarHBondContact O-N 2.63Å; P197-Y199 VanDerWaalsContact O-N 3.13Å; P197-M200 PolarHBondContact O-N 3.41Å; P197-F242 HydrophobicContact CB-CE1 3.92Å; P197-F242 HydrophobicContact CB-CZ 4.5Å; P197-I245 VanDerWaalsContact O-CD1 3.28Å; P197-I245 WeakPolarHBondContact O-CD1 3.35Å
198D96.1Very high96.2Very high37 Ų3750.9 Ų50.920%0.19825%0.249CC..G310 helixtrans-65.9-16.5-177.2-56-71000113.9T196 I221 P231T196-D198 PolarHBondContact O-N 2.95Å; T196-D198 VanDerWaalsContact O-N 3.16Å; D198-I221 WeakPolarHBondContact O-CG2 3.47Å; D198-P231 HydrophobicContact CB-CB 4.06Å; D198-P231 HydrophobicContact CB-CG 3.9Å
199Y98.1Very high96.2Very high13 Ų1346.5 Ų46.55%0.05124%0.237CC..G310 helixtrans-107.5-8.6-177-73.2-95.2000113.3L160 K161 P162 T196 P197 A218 I221 L222 E225L160-Y199 WeakPolarHBondContact O-CD1 3.41Å; L160-Y199 WeakPolarHBondContact O-CE1 3.4Å; K161-Y199 HydrophobicContact CB-CD2 4.08Å; K161-Y199 HydrophobicContact CB-CE1 4.29Å; K161-Y199 HydrophobicContact CB-CE2 3.89Å; K161-Y199 HydrophobicContact CB-CG 4.4Å; P162-Y199 WeakPolarHBondContact CD-OH 3.3Å; T196-Y199 HydrophobicContact CG2-CD2 4.17Å; T196-Y199 WeakPolarHBondContact O-CA 3.28Å; T196-Y199 PolarHBondContact O-N 3.36Å; P197-Y199 PolarHBondContact O-N 2.63Å; P197-Y199 VanDerWaalsContact O-N 3.13Å; Y199-A218 HydrophobicContact CD1-CB 4.29Å; Y199-I221 HydrophobicContact CD1-CB 3.78Å; Y199-I221 HydrophobicContact CD1-CG2 3.52Å; Y199-I221 HydrophobicContact CD2-CG2 4.31Å; Y199-I221 HydrophobicContact CE1-CB 3.96Å; Y199-I221 HydrophobicContact CE1-CG2 3.48Å; Y199-I221 VanDerWaalsContact CE1-CG2 3.48Å; Y199-I221 HydrophobicContact CE2-CG2 4.23Å; Y199-I221 HydrophobicContact CG-CG2 3.96Å; Y199-L222 HydrophobicContact CE1-CB 4.12Å; Y199-E225 VanDerWaalsContact OH-CD 3.31Å; Y199-E225 PolarHBondContact OH-OE2 2.81Å
200M97.9Very high96.3Very high16 Ų1641.2 Ų41.28%0.07922%0.217CC..  trans-67.9135.4-178.5-68.4-171.2-173.700111.3L193 G195 T196 P197 I204 L205 W217 I245L193-M200 HydrophobicContact CD1-SD 4Å; G195-M200 WeakPolarHBondContact O-CE 3.27Å; T196-M200 WeakPolarHBondContact O-CG 3.49Å; T196-M200 PolarHBondContact O-N 3.25Å; P197-M200 PolarHBondContact O-N 3.41Å; M200-I204 HydrophobicContact SD-CG2 4.34Å; M200-L205 HydrophobicContact CB-CD2 3.99Å; M200-L205 HydrophobicContact CB-CG 4.27Å; M200-L205 HydrophobicContact CG-CD2 4.46Å; M200-L205 HydrophobicContact SD-CD2 3.6Å; M200-L205 VanDerWaalsContact SD-CD2 3.6Å; M200-W217 PolarHBondContact O-NE1 2.96Å; M200-W217 VanDerWaalsContact O-NE1 3.14Å; M200-I245 WeakPolarHBondContact O-CG2 3.17Å
201A98.2Very high96.3Very high0 Ų041.8 Ų41.80%022%0.22CC..  trans-74.5152.2172.900000111.4E203 I204 L205 V214 W217A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 HydrophobicContact CB-CG 4.4Å; A201-E203 WeakPolarHBondContact CB-OE2 3.12Å; A201-E203 PolarHBondContact O-N 3.02Å; A201-I204 HydrophobicContact CB-CG1 4.44Å; A201-I204 WeakPolarHBondContact O-CB 3.24Å; A201-I204 PolarHBondContact O-N 3.41Å; A201-L205 PolarHBondContact O-N 3.38Å; A201-V214 HydrophobicContact CB-CB 3.95Å; A201-V214 HydrophobicContact CB-CG1 3.93Å; A201-W217 HydrophobicContact CB-CB 3.84Å; A201-W217 HydrophobicContact CB-CD2 4.18Å; A201-W217 HydrophobicContact CB-CG 3.72Å
202P97.9Very high96.2Very high2 Ų236.3 Ų36.31%0.01320%0.199CC..Hα-helixtrans-57-37.3-178.1-24.232.2000113.2I204 L205 L206 W217 I245 V270P202-I204 VanDerWaalsContact C-N 3.25Å; P202-I204 PolarHBondContact O-N 2.91Å; P202-L205 PolarHBondContact O-N 3.5Å; P202-L206 WeakPolarHBondContact O-CB 3.32Å; P202-L206 VanDerWaalsContact O-CG 3.23Å; P202-L206 WeakPolarHBondContact O-CG 3.3Å; P202-L206 PolarHBondContact O-N 2.78Å; P202-W217 VanDerWaalsContact CD-CZ3 3.48Å; P202-W217 HydrophobicContact CG-CE3 4.18Å; P202-W217 HydrophobicContact CG-CH2 3.36Å; P202-W217 HydrophobicContact CG-CZ2 3.84Å; P202-W217 HydrophobicContact CG-CZ3 3.55Å; P202-I245 HydrophobicContact CB-CG2 4.39Å; P202-I245 HydrophobicContact CG-CG2 3.89Å; P202-I245 WeakPolarHBondContact CG-O 3.38Å; P202-V270 HydrophobicContact CB-CG1 4.33Å; P202-V270 HydrophobicContact CG-CG1 4.41Å; P202-V270 HydrophobicContact CG-CG2 4.13Å
203E97.7Very high96.3Very high9 Ų933.6 Ų33.64%0.04218%0.183CC..Hα-helixtrans-65.4-25.9178.563.6-91.4-149.400113.6A201 N207 K208 V214 R275A201-E203 VanDerWaalsContact C-N 3.26Å; A201-E203 HydrophobicContact CB-CG 4.4Å; A201-E203 WeakPolarHBondContact CB-OE2 3.12Å; A201-E203 PolarHBondContact O-N 3.02Å; E203-N207 PolarHBondContact O-N 3.09Å; E203-K208 HydrophobicContact CB-CB 4.07Å; E203-K208 PolarHBondContact O-N 2.89Å; E203-V214 HydrophobicContact CG-CG1 3.91Å; E203-V214 VanDerWaalsContact OE1-CG1 3.31Å; E203-V214 WeakPolarHBondContact OE1-CG1 3.5Å; E203-R275 IonicContact OE1-CZ 3.59Å; E203-R275 IonicContact OE1-NH1 2.85Å; E203-R275 PolarHBondContact OE1-NH1 2.79Å; E203-R275 IonicContact OE1-NH2 3.69Å; E203-R275 PolarHBondContact OE1-NH2 2.8Å; E203-R275 IonicContact OE2-CZ 3.73Å; E203-R275 IonicContact OE2-NH1 3.02Å; E203-R275 IonicContact OE2-NH2 2.67Å; E203-R275 PolarHBondContact OE2-NH2 3.36Å
204I97.8Very high96.5Very high7 Ų728.3 Ų28.34%0.03616%0.155CC..Hα-helixtrans-70.4-48.9172.3-59.6-179.5000109.1L193 M200 A201 P202 L206 N207 Y210 V214L193-I204 HydrophobicContact CD1-CG2 3.74Å; M200-I204 HydrophobicContact SD-CG2 4.34Å; A201-I204 HydrophobicContact CB-CG1 4.44Å; A201-I204 WeakPolarHBondContact O-CB 3.24Å; A201-I204 PolarHBondContact O-N 3.41Å; P202-I204 VanDerWaalsContact C-N 3.25Å; P202-I204 PolarHBondContact O-N 2.91Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.26Å; I204-N207 PolarHBondContact O-N 3.48Å; I204-N207 VanDerWaalsContact O-N 3.11Å; I204-Y210 HydrophobicContact CB-CE1 4.45Å; I204-Y210 HydrophobicContact CD1-CE2 4.32Å; I204-Y210 HydrophobicContact CG1-CD1 3.89Å; I204-Y210 HydrophobicContact CG1-CD2 4.26Å; I204-Y210 HydrophobicContact CG1-CE1 3.89Å; I204-Y210 HydrophobicContact CG1-CE2 4.26Å; I204-Y210 HydrophobicContact CG1-CG 4.09Å; I204-Y210 HydrophobicContact CG2-CE1 4.37Å; I204-V214 HydrophobicContact CD1-CB 3.9Å; I204-V214 HydrophobicContact CD1-CG1 3.88Å; I204-V214 HydrophobicContact CD1-CG2 4.23Å; I204-V214 HydrophobicContact CG1-CB 4.38Å; I204-V214 HydrophobicContact CG1-CG1 3.81Å
205L96.8Very high96.8Very high35 Ų3527.8 Ų27.818%0.18315%0.152CC..Hα-helixtrans-64.4-36.6-178.9-59.4-178.2000112.5L193 M200 A201 P202 N207 F242 I245L193-L205 HydrophobicContact CD1-CD2 4.43Å; M200-L205 HydrophobicContact CB-CD2 3.99Å; M200-L205 HydrophobicContact CB-CG 4.27Å; M200-L205 HydrophobicContact CG-CD2 4.46Å; M200-L205 HydrophobicContact SD-CD2 3.6Å; M200-L205 VanDerWaalsContact SD-CD2 3.6Å; A201-L205 PolarHBondContact O-N 3.38Å; P202-L205 PolarHBondContact O-N 3.5Å; L205-N207 PolarHBondContact O-N 2.9Å; L205-F242 HydrophobicContact CD1-CB 4Å; L205-F242 HydrophobicContact CD1-CD1 3.66Å; L205-F242 HydrophobicContact CD1-CE1 4.41Å; L205-F242 HydrophobicContact CD1-CG 4.04Å; L205-F242 HydrophobicContact CD2-CD1 3.7Å; L205-F242 HydrophobicContact CD2-CE1 3.64Å; L205-F242 HydrophobicContact CD2-CG 4.24Å; L205-F242 HydrophobicContact CD2-CZ 4.15Å; L205-F242 HydrophobicContact CG-CD1 4.35Å; L205-I245 HydrophobicContact CD1-CB 3.91Å; L205-I245 HydrophobicContact CD1-CD1 4.05Å; L205-I245 HydrophobicContact CD1-CG2 3.53Å
206L96.3Very high97.1Very high73 Ų7327.2 Ų27.238%0.38214%0.144SC..THydrogen-bonded Turntrans-81.87.2177.7-63.9172.5000113.1P202 I204 K208 I246P202-L206 WeakPolarHBondContact O-CB 3.32Å; P202-L206 VanDerWaalsContact O-CG 3.23Å; P202-L206 WeakPolarHBondContact O-CG 3.3Å; P202-L206 PolarHBondContact O-N 2.78Å; I204-L206 VanDerWaalsContact C-N 3.32Å; I204-L206 PolarHBondContact O-N 3.26Å; L206-K208 HydrophobicContact CB-CD 4.26Å; L206-K208 HydrophobicContact CB-CG 4.09Å; L206-K208 PolarHBondContact O-N 2.97Å; L206-K208 VanDerWaalsContact O-N 3.16Å; L206-I246 HydrophobicContact CD2-CD1 3.88Å; L206-I246 HydrophobicContact CD2-CG1 4.24Å; L206-I246 HydrophobicContact CG-CD1 4.43Å; L206-I246 HydrophobicContact CG-CG1 4.35Å
207N95.7Very high97.3Very high106 Ų10625.9 Ų25.957%0.56714%0.136SC*.THydrogen-bonded Turntrans5138-178.4-169.331.2000113.3W191 E203 I204 L205W191-N207 PolarHBondContact O-OD1 2.98Å; E203-N207 PolarHBondContact O-N 3.09Å; I204-N207 PolarHBondContact O-N 3.48Å; I204-N207 VanDerWaalsContact O-N 3.11Å; L205-N207 PolarHBondContact O-N 2.9Å
208K96.7Very high97.5Very high120 Ų12024.4 Ų24.452%0.52213%0.127SC..  trans-88148.6174-64.6178.9-178.1175.70108.9E203 L206 Y210E203-K208 HydrophobicContact CB-CB 4.07Å; E203-K208 PolarHBondContact O-N 2.89Å; L206-K208 HydrophobicContact CB-CD 4.26Å; L206-K208 HydrophobicContact CB-CG 4.09Å; L206-K208 PolarHBondContact O-N 2.97Å; L206-K208 VanDerWaalsContact O-N 3.16Å; K208-Y210 WeakPolarHBondContact O-CD1 3.32Å; K208-Y210 PolarHBondContact O-N 3.26Å
209G96.6Very high97.6Very high26 Ų2622.6 Ų22.627%0.26812%0.118SC..  trans-63.9121.5176.600000110.8
210Y97.7Very high97.7Very high3 Ų322 Ų221%0.01212%0.115CC..BIsolated β-bridgetrans-125.9172.6-172.869.1-97.2000113R158 R189 T190 T192 I204 K208 V214R158-Y210 WeakPolarHBondContact CD-OH 3.2Å; R158-Y210 HydrophobicContact CG-CE2 4.33Å; R158-Y210 PolarHBondContact NH1-OH 2.95Å; R189-Y210 WeakPolarHBondContact CA-O 3.39Å; R189-Y210 WeakPolarHBondContact CD-O 3.46Å; T190-Y210 HydrophobicContact CG2-CD2 3.81Å; T190-Y210 HydrophobicContact CG2-CE1 4.16Å; T190-Y210 HydrophobicContact CG2-CE2 3.35Å; T190-Y210 HydrophobicContact CG2-CG 4.37Å; T190-Y210 PolarHBondContact N-O 3.29Å; T190-Y210 VanDerWaalsContact N-O 3.07Å; T190-Y210 WeakPolarHBondContact O-CD1 3.35Å; T190-Y210 WeakPolarHBondContact O-CE1 3.41Å; T190-Y210 PolarHBondContact O-N 3.33Å; T192-Y210 WeakPolarHBondContact O-CE1 3.49Å; T192-Y210 PolarHBondContact O-OH 2.92Å; I204-Y210 HydrophobicContact CB-CE1 4.45Å; I204-Y210 HydrophobicContact CD1-CE2 4.32Å; I204-Y210 HydrophobicContact CG1-CD1 3.89Å; I204-Y210 HydrophobicContact CG1-CD2 4.26Å; I204-Y210 HydrophobicContact CG1-CE1 3.89Å; I204-Y210 HydrophobicContact CG1-CE2 4.26Å; I204-Y210 HydrophobicContact CG1-CG 4.09Å; I204-Y210 HydrophobicContact CG2-CE1 4.37Å; K208-Y210 WeakPolarHBondContact O-CD1 3.32Å; K208-Y210 PolarHBondContact O-N 3.26Å; Y210-V214 HydrophobicContact CD2-CB 4.43Å; Y210-V214 HydrophobicContact CD2-CG1 3.55Å; Y210-V214 HydrophobicContact CD2-CG2 4.03Å; Y210-V214 HydrophobicContact CE2-CG1 4.38Å; Y210-V214 HydrophobicContact CE2-CG2 4.28Å; Y210-V214 HydrophobicContact CG-CG1 3.85Å
211H96.5Very high97.7Very high16 Ų1621.2 Ų21.27%0.07411%0.111CC..  trans-153.3-155.2-177.8-157.3-138000110.6V184 R189 P213 V214V184-H211 WeakPolarHBondContact CG1-CD2 3.11Å; V184-H211 PolarHBondContact O-NE2 3.49Å; R189-H211 VanDerWaalsContact NH1-CB 3.34Å; H211-P213 VanDerWaalsContact C-N 3.31Å; H211-P213 WeakPolarHBondContact O-CD 3.33Å; H211-P213 VanDerWaalsContact O-N 3.1Å; H211-V214 VanDerWaalsContact O-CG2 3.3Å; H211-V214 WeakPolarHBondContact O-CG2 3.25Å; H211-V214 PolarHBondContact O-N 3.4Å
212Y96.2Very high97.7Very high28 Ų2821.2 Ų21.211%0.1111%0.111CC..THydrogen-bonded Turntrans-49.1-31.2-177.7-48.3-42.6000117.6H151 T154 I155 V156 V184 V214 D215H151-Y212 HydrophobicContact CB-CD1 4.18Å; H151-Y212 HydrophobicContact CB-CD2 4Å; H151-Y212 HydrophobicContact CB-CE2 4.42Å; H151-Y212 HydrophobicContact CB-CG 3.92Å; H151-Y212 AromaticContact CD2-CD1 3.48Å; H151-Y212 VanDerWaalsContact CD2-CD1 3.48Å; H151-Y212 WeakPolarHBondContact CD2-CD1 3.41Å; H151-Y212 AromaticContact CD2-CG 3.66Å; H151-Y212 AromaticContact CG-CD1 3.88Å; H151-Y212 AromaticContact CG-CG 3.63Å; T154-Y212 VanDerWaalsContact C-OH 3.29Å; T154-Y212 WeakPolarHBondContact CA-OH 3.49Å; T154-Y212 WeakPolarHBondContact CB-OH 3.39Å; T154-Y212 PolarHBondContact O-OH 2.96Å; I155-Y212 WeakPolarHBondContact O-CD1 3.43Å; I155-Y212 WeakPolarHBondContact O-CE1 3.4Å; V156-Y212 HydrophobicContact CB-CD1 4.18Å; V156-Y212 HydrophobicContact CG2-CD1 3.55Å; V156-Y212 HydrophobicContact CG2-CE1 3.64Å; V184-Y212 PolarHBondContact O-OH 3.28Å; Y212-V214 PolarHBondContact O-N 2.91Å; Y212-D215 WeakPolarHBondContact O-CB 3.29Å; Y212-D215 PolarHBondContact O-N 3.38Å
213P97.7Very high97.8Very high7 Ų721.1 Ų21.15%0.04511%0.111CC..Hα-helixtrans-57.6-19-179.9-29.137000115.9H211 D215 W216 W217 L272 R275 N278H211-P213 VanDerWaalsContact C-N 3.31Å; H211-P213 WeakPolarHBondContact O-CD 3.33Å; H211-P213 VanDerWaalsContact O-N 3.1Å; P213-D215 VanDerWaalsContact C-N 3.27Å; P213-D215 PolarHBondContact O-N 3.3Å; P213-W216 PolarHBondContact O-N 3.3Å; P213-W217 PolarHBondContact O-N 3.39Å; P213-L272 HydrophobicContact CB-CD2 4.09Å; P213-R275 PolarHBondContact O-NH1 2.78Å; P213-N278 HydrophobicContact CB-CB 4.06Å; P213-N278 HydrophobicContact CG-CB 3.75Å; P213-N278 WeakPolarHBondContact CG-OD1 3.32Å
214V98.4Very high97.8Very high5 Ų522 Ų223%0.0311%0.114CC..Hα-helixtrans-66.1-31.5174-570000112.1V156 R158 A201 E203 I204 Y210 H211 Y212 W216 W217 A218V156-V214 HydrophobicContact CG1-CG2 3.67Å; R158-V214 HydrophobicContact CG-CG2 4.38Å; A201-V214 HydrophobicContact CB-CB 3.95Å; A201-V214 HydrophobicContact CB-CG1 3.93Å; E203-V214 HydrophobicContact CG-CG1 3.91Å; E203-V214 VanDerWaalsContact OE1-CG1 3.31Å; E203-V214 WeakPolarHBondContact OE1-CG1 3.5Å; I204-V214 HydrophobicContact CD1-CB 3.9Å; I204-V214 HydrophobicContact CD1-CG1 3.88Å; I204-V214 HydrophobicContact CD1-CG2 4.23Å; I204-V214 HydrophobicContact CG1-CB 4.38Å; I204-V214 HydrophobicContact CG1-CG1 3.81Å; Y210-V214 HydrophobicContact CD2-CB 4.43Å; Y210-V214 HydrophobicContact CD2-CG1 3.55Å; Y210-V214 HydrophobicContact CD2-CG2 4.03Å; Y210-V214 HydrophobicContact CE2-CG1 4.38Å; Y210-V214 HydrophobicContact CE2-CG2 4.28Å; Y210-V214 HydrophobicContact CG-CG1 3.85Å; H211-V214 VanDerWaalsContact O-CG2 3.3Å; H211-V214 WeakPolarHBondContact O-CG2 3.25Å; H211-V214 PolarHBondContact O-N 3.4Å; Y212-V214 PolarHBondContact O-N 2.91Å; V214-W216 VanDerWaalsContact C-N 3.33Å; V214-W217 WeakPolarHBondContact O-CB 3.28Å; V214-W217 PolarHBondContact O-N 3.24Å; V214-A218 PolarHBondContact O-N 3.44Å; V214-A218 VanDerWaalsContact O-N 3.09Å
215D98.7Very high97.9Very high0 Ų022 Ų220%011%0.114CC..Hα-helixtrans-72.3-31.6179.1-63.1-31.4000110.7L147 H151 Y157 R158 Y212 P213 A218 F219L147-D215 HydrophobicContact CD1-CB 4.02Å; L147-D215 HydrophobicContact CD2-CB 3.97Å; H151-D215 IonicContact CD2-OD2 3.45Å; H151-D215 IonicContact CE1-OD2 2.81Å; H151-D215 IonicContact NE2-OD2 3.12Å; H151-D215 PolarHBondContact NE2-OD2 3.16Å; Y157-D215 PolarHBondContact N-OD1 3.01Å; Y157-D215 PolarHBondContact N-OD2 3.08Å; R158-D215 PolarHBondContact N-OD1 2.89Å; Y212-D215 WeakPolarHBondContact O-CB 3.29Å; Y212-D215 PolarHBondContact O-N 3.38Å; P213-D215 VanDerWaalsContact C-N 3.27Å; P213-D215 PolarHBondContact O-N 3.3Å; D215-A218 PolarHBondContact O-N 3.46Å; D215-F219 WeakPolarHBondContact O-CB 3.49Å; D215-F219 PolarHBondContact O-N 3.39Å
216W98.7Very high97.9Very high4 Ų420.4 Ų20.42%0.01511%0.105CC..Hα-helixtrans-72.5-31.4174.8-61.3125.6000112.9I144 L147 H151 P213 V214 F219 G220 L267 I283 I286I144-W216 HydrophobicContact CG1-CZ3 4.12Å; L147-W216 HydrophobicContact CB-CH2 3.55Å; L147-W216 HydrophobicContact CB-CZ2 4.07Å; L147-W216 HydrophobicContact CB-CZ3 4.03Å; L147-W216 HydrophobicContact CD1-CE3 4.03Å; L147-W216 HydrophobicContact CD1-CH2 4.11Å; L147-W216 HydrophobicContact CD1-CZ3 3.71Å; H151-W216 AromaticContact CE1-CE2 3.58Å; H151-W216 AromaticContact CE1-CZ2 3.65Å; H151-W216 AromaticContact CE1-NE1 3.51Å; H151-W216 AromaticContact ND1-CE2 3.66Å; H151-W216 AromaticContact ND1-CZ2 3.5Å; H151-W216 WeakPolarHBondContact ND1-CZ2 3.39Å; H151-W216 AromaticContact ND1-NE1 3.49Å; H151-W216 PolarHBondContact ND1-NE1 3.17Å; P213-W216 PolarHBondContact O-N 3.3Å; V214-W216 VanDerWaalsContact C-N 3.33Å; W216-F219 HydrophobicContact CE3-CB 4.18Å; W216-F219 HydrophobicContact CE3-CD1 4.06Å; W216-F219 HydrophobicContact CE3-CG 4.3Å; W216-F219 HydrophobicContact CZ3-CD1 4.35Å; W216-F219 PolarHBondContact O-N 3.05Å; W216-G220 PolarHBondContact O-N 3.1Å; W216-G220 VanDerWaalsContact O-N 3.08Å; W216-L267 HydrophobicContact CB-CD2 4.12Å; W216-I283 HydrophobicContact CH2-CD1 3.23Å; W216-I283 HydrophobicContact CH2-CG1 4.43Å; W216-I283 HydrophobicContact CZ2-CD1 3.35Å; W216-I283 HydrophobicContact CZ2-CG1 4.31Å; W216-I283 HydrophobicContact CZ3-CD1 3.97Å; W216-I286 HydrophobicContact CB-CD1 4.37Å; W216-I286 HydrophobicContact CD2-CD1 3.39Å; W216-I286 HydrophobicContact CE3-CD1 3.39Å; W216-I286 HydrophobicContact CG-CD1 3.83Å; W216-I286 HydrophobicContact CH2-CD1 4.43Å; W216-I286 HydrophobicContact CZ2-CD1 4.42Å; W216-I286 HydrophobicContact CZ3-CD1 3.94Å
217W98.7Very high98Very high0 Ų018.2 Ų18.20%010%0.095CC..Hα-helixtrans-61.3-53.9166.9173.8-79000110.5M200 A201 P202 P213 V214 F219 G220 I221 F233 I245 I268 V270M200-W217 PolarHBondContact O-NE1 2.96Å; M200-W217 VanDerWaalsContact O-NE1 3.14Å; A201-W217 HydrophobicContact CB-CB 3.84Å; A201-W217 HydrophobicContact CB-CD2 4.18Å; A201-W217 HydrophobicContact CB-CG 3.72Å; P202-W217 VanDerWaalsContact CD-CZ3 3.48Å; P202-W217 HydrophobicContact CG-CE3 4.18Å; P202-W217 HydrophobicContact CG-CH2 3.36Å; P202-W217 HydrophobicContact CG-CZ2 3.84Å; P202-W217 HydrophobicContact CG-CZ3 3.55Å; P213-W217 PolarHBondContact O-N 3.39Å; V214-W217 WeakPolarHBondContact O-CB 3.28Å; V214-W217 PolarHBondContact O-N 3.24Å; W217-F219 PolarHBondContact O-N 3.06Å; W217-G220 WeakPolarHBondContact O-CA 2.94Å; W217-G220 PolarHBondContact O-N 3.23Å; W217-I221 WeakPolarHBondContact O-CG1 3.39Å; W217-I221 PolarHBondContact O-N 2.81Å; W217-F233 HydrophobicContact CH2-CE2 4.18Å; W217-F233 HydrophobicContact CH2-CZ 4.38Å; W217-F233 HydrophobicContact CZ2-CD2 4.34Å; W217-F233 AromaticContact CZ2-CE2 3.54Å; W217-F233 HydrophobicContact CZ2-CE2 3.54Å; W217-F233 HydrophobicContact CZ2-CZ 4.18Å; W217-I245 HydrophobicContact CZ2-CG2 3.83Å; W217-I268 HydrophobicContact CD2-CG2 4.07Å; W217-I268 HydrophobicContact CE3-CB 4.38Å; W217-I268 HydrophobicContact CE3-CG2 3.78Å; W217-I268 HydrophobicContact CH2-CG2 3.35Å; W217-I268 HydrophobicContact CZ2-CG2 3.64Å; W217-I268 HydrophobicContact CZ3-CB 4.37Å; W217-I268 HydrophobicContact CZ3-CG2 3.42Å; W217-I268 VanDerWaalsContact CZ3-CG2 3.42Å; W217-V270 HydrophobicContact CH2-CG2 4.34Å; W217-V270 HydrophobicContact CZ3-CG2 4.29Å
218A98.8Very high98.1Very high5 Ų515.2 Ų15.24%0.0418%0.08CC..Hα-helixtrans-59-33.2178.800000112L160 Y199 V214 D215 I221 L222L160-A218 HydrophobicContact CB-CB 3.97Å; L160-A218 HydrophobicContact CD2-CB 4.36Å; Y199-A218 HydrophobicContact CD1-CB 4.29Å; V214-A218 PolarHBondContact O-N 3.44Å; V214-A218 VanDerWaalsContact O-N 3.09Å; D215-A218 PolarHBondContact O-N 3.46Å; A218-I221 WeakPolarHBondContact O-CB 3.39Å; A218-I221 PolarHBondContact O-N 3.49Å; A218-L222 WeakPolarHBondContact O-CB 3.43Å; A218-L222 PolarHBondContact O-N 2.79Å
219F98.9Very high98.1Very high0 Ų09.5 Ų9.50%06%0.056CC..Hα-helixtrans-64.5-41.6173.1178.5-117.5000112.4G140 V143 I144 L147 L160 D215 W216 W217 I221 L222 L223 L267 I286 F292G140-F219 WeakPolarHBondContact O-CE2 3.33Å; V143-F219 HydrophobicContact CB-CD2 4.19Å; V143-F219 HydrophobicContact CB-CE2 4.07Å; V143-F219 HydrophobicContact CG1-CD2 3.68Å; V143-F219 HydrophobicContact CG1-CE2 4.07Å; I144-F219 HydrophobicContact CD1-CE1 3.68Å; I144-F219 HydrophobicContact CD1-CE2 4.47Å; I144-F219 HydrophobicContact CD1-CZ 3.49Å; I144-F219 VanDerWaalsContact CD1-CZ 3.49Å; I144-F219 HydrophobicContact CG1-CD1 4.38Å; I144-F219 HydrophobicContact CG1-CE1 3.63Å; I144-F219 HydrophobicContact CG1-CE2 4.04Å; I144-F219 HydrophobicContact CG1-CZ 3.43Å; I144-F219 VanDerWaalsContact CG1-CZ 3.43Å; L147-F219 HydrophobicContact CD1-CB 4.41Å; L160-F219 HydrophobicContact CD2-CB 3.97Å; L160-F219 HydrophobicContact CD2-CD2 4.39Å; D215-F219 WeakPolarHBondContact O-CB 3.49Å; D215-F219 PolarHBondContact O-N 3.39Å; W216-F219 HydrophobicContact CE3-CB 4.18Å; W216-F219 HydrophobicContact CE3-CD1 4.06Å; W216-F219 HydrophobicContact CE3-CG 4.3Å; W216-F219 HydrophobicContact CZ3-CD1 4.35Å; W216-F219 PolarHBondContact O-N 3.05Å; W217-F219 PolarHBondContact O-N 3.06Å; F219-I221 VanDerWaalsContact C-N 3.33Å; F219-I221 PolarHBondContact O-N 3.2Å; F219-L222 HydrophobicContact CD2-CD2 4.46Å; F219-L222 WeakPolarHBondContact O-CB 3.5Å; F219-L222 PolarHBondContact O-N 3.32Å; F219-L223 HydrophobicContact CD1-CD1 4.1Å; F219-L223 HydrophobicContact CD2-CG 4.41Å; F219-L223 HydrophobicContact CE1-CD1 3.53Å; F219-L223 HydrophobicContact CE1-CG 4.14Å; F219-L223 HydrophobicContact CE2-CD1 4.27Å; F219-L223 HydrophobicContact CE2-CD2 3.98Å; F219-L223 HydrophobicContact CE2-CG 3.97Å; F219-L223 HydrophobicContact CZ-CD1 3.63Å; F219-L223 HydrophobicContact CZ-CD2 3.82Å; F219-L223 HydrophobicContact CZ-CG 3.81Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3Å; F219-L267 HydrophobicContact CD1-CD1 3.58Å; F219-L267 HydrophobicContact CD1-CD2 4.17Å; F219-L267 HydrophobicContact CE1-CD1 3.88Å; F219-I286 HydrophobicContact CE1-CG2 4.19Å; F219-F292 HydrophobicContact CZ-CZ 4.39Å
220G98.8Very high98.2Very high0 Ų014.6 Ų14.60%07%0.068CC..Hα-helixtrans-59.7-42.5171.600000112.6W216 W217 L223 Y224W216-G220 PolarHBondContact O-N 3.1Å; W216-G220 VanDerWaalsContact O-N 3.08Å; W217-G220 WeakPolarHBondContact O-CA 2.94Å; W217-G220 PolarHBondContact O-N 3.23Å; G220-L223 PolarHBondContact O-N 3.48Å; G220-Y224 PolarHBondContact O-N 3.44Å
221I98.8Very high98.2Very high0 Ų015 Ų150%07%0.071CC..Hα-helixtrans-60-47.7174.9-58.6-64000110.3D198 Y199 W217 A218 F219 L223 Y224 E225 P231 P232 F233 I268D198-I221 WeakPolarHBondContact O-CG2 3.47Å; Y199-I221 HydrophobicContact CD1-CB 3.78Å; Y199-I221 HydrophobicContact CD1-CG2 3.52Å; Y199-I221 HydrophobicContact CD2-CG2 4.31Å; Y199-I221 HydrophobicContact CE1-CB 3.96Å; Y199-I221 HydrophobicContact CE1-CG2 3.48Å; Y199-I221 VanDerWaalsContact CE1-CG2 3.48Å; Y199-I221 HydrophobicContact CE2-CG2 4.23Å; Y199-I221 HydrophobicContact CG-CG2 3.96Å; W217-I221 WeakPolarHBondContact O-CG1 3.39Å; W217-I221 PolarHBondContact O-N 2.81Å; A218-I221 WeakPolarHBondContact O-CB 3.39Å; A218-I221 PolarHBondContact O-N 3.49Å; F219-I221 VanDerWaalsContact C-N 3.33Å; F219-I221 PolarHBondContact O-N 3.2Å; I221-L223 PolarHBondContact O-N 3.42Å; I221-Y224 WeakPolarHBondContact O-CB 3.38Å; I221-Y224 PolarHBondContact O-N 3.2Å; I221-E225 PolarHBondContact O-N 3.25Å; I221-P231 HydrophobicContact CG2-CB 3.99Å; I221-P232 HydrophobicContact CD1-CG 3.52Å; I221-F233 HydrophobicContact CD1-CD2 3.74Å; I221-F233 HydrophobicContact CD1-CE2 3.65Å; I221-I268 HydrophobicContact CD1-CD1 3.68Å; I221-I268 HydrophobicContact CD1-CG1 4.46Å; I221-I268 HydrophobicContact CG1-CD1 4.34Å
222L98.9Very high98.2Very high0 Ų015.5 Ų15.50%08%0.076CC..Hα-helixtrans-59-46.7178.7178.668.5000112.1V143 L160 P162 L165 Y199 A218 F219 Y224 E225 M226V143-L222 HydrophobicContact CG1-CD2 4.3Å; V143-L222 HydrophobicContact CG2-CD2 3.96Å; L160-L222 HydrophobicContact CD1-CD2 4.15Å; L160-L222 HydrophobicContact CD2-CB 4.42Å; L160-L222 HydrophobicContact CD2-CD2 4Å; L160-L222 HydrophobicContact CG-CD2 4.13Å; P162-L222 HydrophobicContact CG-CD1 3.68Å; L165-L222 HydrophobicContact CD1-CD1 3.98Å; L165-L222 HydrophobicContact CD1-CD2 3.6Å; L165-L222 HydrophobicContact CD1-CG 4.45Å; Y199-L222 HydrophobicContact CE1-CB 4.12Å; A218-L222 WeakPolarHBondContact O-CB 3.43Å; A218-L222 PolarHBondContact O-N 2.79Å; F219-L222 HydrophobicContact CD2-CD2 4.46Å; F219-L222 WeakPolarHBondContact O-CB 3.5Å; F219-L222 PolarHBondContact O-N 3.32Å; L222-Y224 VanDerWaalsContact C-N 3.3Å; L222-Y224 PolarHBondContact O-N 3.03Å; L222-E225 PolarHBondContact O-N 3.38Å; L222-M226 HydrophobicContact CD1-CG 4.24Å; L222-M226 HydrophobicContact CD1-SD 4.45Å; L222-M226 HydrophobicContact CD2-CE 4.3Å; L222-M226 HydrophobicContact CG-CE 3.89Å; L222-M226 HydrophobicContact CG-CG 4.48Å; L222-M226 HydrophobicContact CG-SD 4.4Å; L222-M226 WeakPolarHBondContact O-CB 3.34Å; L222-M226 WeakPolarHBondContact O-CG 3.44Å; L222-M226 PolarHBondContact O-N 2.86Å
223L98.8Very high98.3Very high0 Ų014.2 Ų14.20%07%0.071CC..Hα-helixtrans-60.6-41.4177.2-70.7176.7000111.7V136 F219 G220 I221 M226 T227 L260 L263 I264 L267V136-L223 HydrophobicContact CG1-CD2 3.77Å; F219-L223 HydrophobicContact CD1-CD1 4.1Å; F219-L223 HydrophobicContact CD2-CG 4.41Å; F219-L223 HydrophobicContact CE1-CD1 3.53Å; F219-L223 HydrophobicContact CE1-CG 4.14Å; F219-L223 HydrophobicContact CE2-CD1 4.27Å; F219-L223 HydrophobicContact CE2-CD2 3.98Å; F219-L223 HydrophobicContact CE2-CG 3.97Å; F219-L223 HydrophobicContact CZ-CD1 3.63Å; F219-L223 HydrophobicContact CZ-CD2 3.82Å; F219-L223 HydrophobicContact CZ-CG 3.81Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3Å; G220-L223 PolarHBondContact O-N 3.48Å; I221-L223 PolarHBondContact O-N 3.42Å; L223-M226 HydrophobicContact CD2-CE 3.94Å; L223-T227 WeakPolarHBondContact O-CB 3.48Å; L223-T227 PolarHBondContact O-N 3.35Å; L223-T227 PolarHBondContact O-OG1 3Å; L223-L260 HydrophobicContact CB-CD1 4.23Å; L223-L260 HydrophobicContact CD1-CD1 3.99Å; L223-L260 HydrophobicContact CD2-CD1 4.41Å; L223-L260 HydrophobicContact CG-CD1 4.46Å; L223-L263 HydrophobicContact CD1-CD2 3.94Å; L223-L263 HydrophobicContact CD1-CG 4.44Å; L223-I264 HydrophobicContact CB-CD1 3.93Å; L223-I264 HydrophobicContact CB-CG1 3.98Å; L223-I264 HydrophobicContact CD1-CG1 4.29Å; L223-L267 HydrophobicContact CD1-CD1 3.85Å
224Y98.8Very high98.1Very high28 Ų2818.1 Ų18.111%0.119%0.09CC..Hα-helixtrans-64.8-47.4176.3-174.3-79.3000111.3G220 I221 L222 T227 T228 Y230 P232 I250 K251 F252 F256G220-Y224 PolarHBondContact O-N 3.44Å; I221-Y224 WeakPolarHBondContact O-CB 3.38Å; I221-Y224 PolarHBondContact O-N 3.2Å; L222-Y224 VanDerWaalsContact C-N 3.3Å; L222-Y224 PolarHBondContact O-N 3.03Å; Y224-T227 PolarHBondContact O-N 3Å; Y224-T227 VanDerWaalsContact O-N 3.16Å; Y224-T228 HydrophobicContact CD1-CG2 4.14Å; Y224-T228 WeakPolarHBondContact CD1-OG1 3.24Å; Y224-T228 HydrophobicContact CE1-CG2 3.75Å; Y224-T228 VanDerWaalsContact CE1-OG1 3.24Å; Y224-T228 WeakPolarHBondContact CE1-OG1 3.46Å; Y224-T228 HydrophobicContact CE2-CG2 4.26Å; Y224-T228 WeakPolarHBondContact O-CG2 3.44Å; Y224-T228 PolarHBondContact O-N 3.38Å; Y224-T228 PolarHBondContact O-OG1 3.43Å; Y224-Y230 WeakPolarHBondContact CD1-O 3.45Å; Y224-Y230 WeakPolarHBondContact CE1-O 3.19Å; Y224-P232 HydrophobicContact CD1-CB 3.67Å; Y224-P232 HydrophobicContact CD1-CG 3.98Å; Y224-P232 HydrophobicContact CD2-CB 4.09Å; Y224-P232 HydrophobicContact CE1-CB 3.67Å; Y224-P232 HydrophobicContact CE1-CG 4.47Å; Y224-P232 HydrophobicContact CE2-CB 4.08Å; Y224-P232 HydrophobicContact CG-CB 3.88Å; Y224-P232 HydrophobicContact CG-CG 4.05Å; Y224-I250 HydrophobicContact CD2-CG2 3.89Å; Y224-I250 HydrophobicContact CE2-CG2 3.56Å; Y224-K251 WeakPolarHBondContact CE2-O 3.36Å; Y224-K251 PolarHBondContact OH-O 3.38Å; Y224-F252 HydrophobicContact CD2-CD1 4.41Å; Y224-F252 AromaticContact CD2-CE1 3.99Å; Y224-F252 HydrophobicContact CD2-CE1 3.99Å; Y224-F252 HydrophobicContact CE2-CD1 4.16Å; Y224-F252 HydrophobicContact CE2-CE1 4.14Å; Y224-F256 AromaticContact CD2-CE2 3.98Å; Y224-F256 HydrophobicContact CD2-CE2 3.98Å; Y224-F256 HydrophobicContact CD2-CZ 4.13Å; Y224-F256 HydrophobicContact CE2-CE2 4.02Å
225E98.5Very high98Very high7 Ų721.3 Ų21.33%0.03311%0.105CC..Hα-helixtrans-64-45-179.4173160.8-175.200111.7L125 R126 Y199 I221 L222 T227 T228 G229 Y230 P231L125-E225 HydrophobicContact CD2-CG 3.58Å; R126-E225 IonicContact NH2-OE1 3.47Å; R126-E225 PolarHBondContact NH2-OE1 2.91Å; Y199-E225 VanDerWaalsContact OH-CD 3.31Å; Y199-E225 PolarHBondContact OH-OE2 2.81Å; I221-E225 PolarHBondContact O-N 3.25Å; L222-E225 PolarHBondContact O-N 3.38Å; E225-T227 PolarHBondContact O-N 3.13Å; E225-T228 PolarHBondContact O-N 2.75Å; E225-G229 VanDerWaalsContact O-CA 3.26Å; E225-G229 WeakPolarHBondContact O-CA 3.34Å; E225-G229 PolarHBondContact O-N 3.32Å; E225-Y230 WeakPolarHBondContact CA-O 3.15Å; E225-P231 WeakPolarHBondContact OE2-CD 3.27Å
226M98.6Very high97.7Very high1 Ų130.8 Ų30.81%0.00515%0.149CC..Hα-helixtrans-58.6-34.8175-72.1-169.3-65.700111.8L121 F131 V136 L222 L223L121-M226 HydrophobicContact CD1-SD 4.41Å; F131-M226 HydrophobicContact CD2-CB 3.85Å; F131-M226 HydrophobicContact CD2-CG 3.83Å; F131-M226 HydrophobicContact CD2-SD 3.92Å; F131-M226 HydrophobicContact CE2-CG 4.06Å; F131-M226 HydrophobicContact CE2-SD 4.1Å; F131-M226 PolarHBondContact N-O 3.37Å; V136-M226 HydrophobicContact CG1-CB 4.41Å; V136-M226 HydrophobicContact CG1-CE 4.06Å; V136-M226 HydrophobicContact CG2-CB 4Å; L222-M226 HydrophobicContact CD1-CG 4.24Å; L222-M226 HydrophobicContact CD1-SD 4.45Å; L222-M226 HydrophobicContact CD2-CE 4.3Å; L222-M226 HydrophobicContact CG-CE 3.89Å; L222-M226 HydrophobicContact CG-CG 4.48Å; L222-M226 HydrophobicContact CG-SD 4.4Å; L222-M226 WeakPolarHBondContact O-CB 3.34Å; L222-M226 WeakPolarHBondContact O-CG 3.44Å; L222-M226 PolarHBondContact O-N 2.86Å; L223-M226 HydrophobicContact CD2-CE 3.94Å
227T98.4Very high97.6Very high27 Ų2734.1 Ų34.117%0.16617%0.167CC..Hα-helixtrans-77.8-33.5-177.9-54.80000113.3K130 L223 Y224 E225 F256 L260K130-T227 WeakPolarHBondContact CB-O 3.37Å; L223-T227 WeakPolarHBondContact O-CB 3.48Å; L223-T227 PolarHBondContact O-N 3.35Å; L223-T227 PolarHBondContact O-OG1 3Å; Y224-T227 PolarHBondContact O-N 3Å; Y224-T227 VanDerWaalsContact O-N 3.16Å; E225-T227 PolarHBondContact O-N 3.13Å; T227-F256 HydrophobicContact CG2-CD2 4.2Å; T227-F256 HydrophobicContact CG2-CE1 4.2Å; T227-F256 HydrophobicContact CG2-CE2 3.71Å; T227-F256 HydrophobicContact CG2-CZ 3.69Å; T227-L260 HydrophobicContact CG2-CD2 4.3Å; T227-L260 VanDerWaalsContact OG1-CD2 3.26Å; T227-L260 WeakPolarHBondContact OG1-CD2 3.38Å
228T97.5Very high97.4Very high42 Ų4238.8 Ų38.826%0.25819%0.189SC..Hα-helixtrans-113.5-17-169.163.30000114Y224 E225 Y230 F256Y224-T228 HydrophobicContact CD1-CG2 4.14Å; Y224-T228 WeakPolarHBondContact CD1-OG1 3.24Å; Y224-T228 HydrophobicContact CE1-CG2 3.75Å; Y224-T228 VanDerWaalsContact CE1-OG1 3.24Å; Y224-T228 WeakPolarHBondContact CE1-OG1 3.46Å; Y224-T228 HydrophobicContact CE2-CG2 4.26Å; Y224-T228 WeakPolarHBondContact O-CG2 3.44Å; Y224-T228 PolarHBondContact O-N 3.38Å; Y224-T228 PolarHBondContact O-OG1 3.43Å; E225-T228 PolarHBondContact O-N 2.75Å; T228-Y230 PolarHBondContact OG1-N 3.23Å; T228-Y230 PolarHBondContact OG1-O 3.45Å; T228-F256 HydrophobicContact CG2-CD2 4.25Å; T228-F256 HydrophobicContact CG2-CE2 3.65Å
229G97.2Very high97.2Very high0 Ų044 Ų440%021%0.213CC..SBendtrans90.3-6.2-174.300000114.8R126 K129 E225R126-G229 PolarHBondContact NH1-O 3.48Å; R126-G229 PolarHBondContact NH2-O 2.48Å; K129-G229 WeakPolarHBondContact O-CA 3.07Å; E225-G229 VanDerWaalsContact O-CA 3.26Å; E225-G229 WeakPolarHBondContact O-CA 3.34Å; E225-G229 PolarHBondContact O-N 3.32Å
230Y97Very high97.1Very high133 Ų13348.6 Ų48.652%0.52223%0.233SC..SBendtrans-149.5150.9-176.3-58.9-82.9000111.3Y224 E225 T228 L234Y224-Y230 WeakPolarHBondContact CD1-O 3.45Å; Y224-Y230 WeakPolarHBondContact CE1-O 3.19Å; E225-Y230 WeakPolarHBondContact CA-O 3.15Å; T228-Y230 PolarHBondContact OG1-N 3.23Å; T228-Y230 PolarHBondContact OG1-O 3.45Å; Y230-L234 HydrophobicContact CD1-CD2 3.85Å; Y230-L234 HydrophobicContact CG-CD2 4.3Å
231P97.6Very high97Very high12 Ų1248.8 Ų48.88%0.07824%0.235CC..  trans-66.7152.817625.5-29.6000111.4D198 I221 E225 F233 L234D198-P231 HydrophobicContact CB-CB 4.06Å; D198-P231 HydrophobicContact CB-CG 3.9Å; I221-P231 HydrophobicContact CG2-CB 3.99Å; E225-P231 WeakPolarHBondContact OE2-CD 3.27Å; P231-F233 VanDerWaalsContact C-N 3.31Å; P231-F233 PolarHBondContact O-N 3Å; P231-L234 HydrophobicContact CG-CB 4.1Å; P231-L234 HydrophobicContact CG-CD1 4.18Å; P231-L234 PolarHBondContact O-N 3.47Å
232P97.5Very high97Very high27 Ų2750.6 Ų50.618%0.17524%0.243CC..THydrogen-bonded Turntrans-70.3-24-172.126.2-31.1000114.1I221 Y224 I250 I268I221-P232 HydrophobicContact CD1-CG 3.52Å; Y224-P232 HydrophobicContact CD1-CB 3.67Å; Y224-P232 HydrophobicContact CD1-CG 3.98Å; Y224-P232 HydrophobicContact CD2-CB 4.09Å; Y224-P232 HydrophobicContact CE1-CB 3.67Å; Y224-P232 HydrophobicContact CE1-CG 4.47Å; Y224-P232 HydrophobicContact CE2-CB 4.08Å; Y224-P232 HydrophobicContact CG-CB 3.88Å; Y224-P232 HydrophobicContact CG-CG 4.05Å; P232-I250 HydrophobicContact CB-CG1 4.36Å; P232-I250 HydrophobicContact CB-CG2 3.95Å; P232-I268 HydrophobicContact CG-CD1 4.3Å
233F97.4Very high96.9Very high1 Ų156.7 Ų56.70%0.00427%0.271CS..THydrogen-bonded Turntrans-106.420.5-176.7-53.9-58.8000113.1W217 I221 P231 H235 L244 I245 I250 I268W217-F233 HydrophobicContact CH2-CE2 4.18Å; W217-F233 HydrophobicContact CH2-CZ 4.38Å; W217-F233 HydrophobicContact CZ2-CD2 4.34Å; W217-F233 AromaticContact CZ2-CE2 3.54Å; W217-F233 HydrophobicContact CZ2-CE2 3.54Å; W217-F233 HydrophobicContact CZ2-CZ 4.18Å; I221-F233 HydrophobicContact CD1-CD2 3.74Å; I221-F233 HydrophobicContact CD1-CE2 3.65Å; P231-F233 VanDerWaalsContact C-N 3.31Å; P231-F233 PolarHBondContact O-N 3Å; F233-H235 PolarHBondContact O-N 2.93Å; F233-L244 HydrophobicContact CB-CB 4.02Å; F233-L244 HydrophobicContact CD1-CB 3.96Å; F233-L244 HydrophobicContact CG-CB 4.35Å; F233-I245 HydrophobicContact CB-CG1 3.87Å; F233-I245 HydrophobicContact CD2-CG1 3.64Å; F233-I245 HydrophobicContact CE2-CG1 4.42Å; F233-I245 HydrophobicContact CG-CG1 3.89Å; F233-I250 HydrophobicContact CE1-CG1 4.08Å; F233-I250 HydrophobicContact CZ-CG1 3.74Å; F233-I268 HydrophobicContact CE2-CG2 3.96Å; F233-I268 HydrophobicContact CZ-CG2 3.91Å
234L94.3Very high96.9Very high88 Ų8860 Ų6046%0.46129%0.288SS..  trans-62127.6-175.4-174.562.9000112.1Y230 P231Y230-L234 HydrophobicContact CD1-CD2 3.85Å; Y230-L234 HydrophobicContact CG-CD2 4.3Å; P231-L234 HydrophobicContact CG-CB 4.1Å; P231-L234 HydrophobicContact CG-CD1 4.18Å; P231-L234 PolarHBondContact O-N 3.47Å
235H95.4Very high96.9Very high72 Ų7258.6 Ų58.633%0.33328%0.283SS..  trans-148.8152.8172-168.1-84.4000110.5F233 D237 K240 T241 L244F233-H235 PolarHBondContact O-N 2.93Å; H235-D237 PolarHBondContact ND1-N 3.24Å; H235-D237 PolarHBondContact ND1-O 2.93Å; H235-K240 HydrophobicContact CB-CB 4.31Å; H235-K240 WeakPolarHBondContact CE1-CD 3.2Å; H235-K240 WeakPolarHBondContact ND1-CB 3.46Å; H235-T241 PolarHBondContact N-OG1 2.77Å; H235-T241 PolarHBondContact O-OG1 3.47Å; H235-L244 HydrophobicContact CB-CD1 4.26Å
236H93.4Very high96.8Very high200 Ų20061.7 Ų61.793%0.92630%0.299SS*.SBendtrans-69.6-32.4-179.5-68.8-62.2000113.7
237D95.4Very high96.7Very high73 Ų7366.4 Ų66.439%0.3932%0.324SS..SBendtrans-92.6119.3172.6179.3-9.8000109.8H235 M239 K240 T241H235-D237 PolarHBondContact ND1-N 3.24Å; H235-D237 PolarHBondContact ND1-O 2.93Å; D237-M239 VanDerWaalsContact C-N 3.28Å; D237-M239 PolarHBondContact O-N 3.46Å; D237-M239 PolarHBondContact OD1-N 3.48Å; D237-K240 HydrophobicContact CB-CB 4.32Å; D237-K240 HydrophobicContact CB-CD 4.11Å; D237-K240 HydrophobicContact CB-CG 4.31Å; D237-K240 PolarHBondContact O-N 3Å; D237-K240 VanDerWaalsContact O-N 3.17Å; D237-T241 PolarHBondContact O-N 2.97Å; D237-T241 VanDerWaalsContact O-N 3.12Å
238Q94.9Very high96.6Very high99 Ų9965.9 Ų65.946%0.46332%0.324SS..Hα-helixtrans-58.9-35.8-179.1-174.1-179.827.300112.9K240 T241 F242Q238-K240 VanDerWaalsContact C-N 3.3Å; Q238-K240 PolarHBondContact O-N 2.99Å; Q238-T241 WeakPolarHBondContact O-CB 3.49Å; Q238-T241 PolarHBondContact O-N 3.36Å; Q238-F242 HydrophobicContact CG-CD2 4.44Å; Q238-F242 HydrophobicContact CG-CE1 4Å; Q238-F242 HydrophobicContact CG-CE2 3.83Å; Q238-F242 HydrophobicContact CG-CZ 3.59Å; Q238-F242 WeakPolarHBondContact O-CG 3.32Å; Q238-F242 PolarHBondContact O-N 3.2Å
239M95.8Very high96.5Very high113 Ų11370 Ų7056%0.55734%0.34SS*.Hα-helixtrans-67.4-36.3-180-69-62.8158.300111.1D237 F242 E243D237-M239 VanDerWaalsContact C-N 3.28Å; D237-M239 PolarHBondContact O-N 3.46Å; D237-M239 PolarHBondContact OD1-N 3.48Å; M239-F242 HydrophobicContact CE-CD2 4.5Å; M239-F242 HydrophobicContact CE-CE2 4.33Å; M239-F242 WeakPolarHBondContact O-CB 3.19Å; M239-F242 PolarHBondContact O-N 2.87Å; M239-F242 HydrophobicContact SD-CD2 3.9Å; M239-F242 HydrophobicContact SD-CE2 4.32Å; M239-E243 WeakPolarHBondContact O-CG 3.38Å; M239-E243 PolarHBondContact O-N 3.26Å
240K96.8Very high96.4Very high97 Ų9771.2 Ų71.242%0.42235%0.346SS..Hα-helixtrans-69.5-35.4173.1-71.1176.5175.7178.70112.4H235 D237 Q238 F242 E243 L244H235-K240 HydrophobicContact CB-CB 4.31Å; H235-K240 WeakPolarHBondContact CE1-CD 3.2Å; H235-K240 WeakPolarHBondContact ND1-CB 3.46Å; D237-K240 HydrophobicContact CB-CB 4.32Å; D237-K240 HydrophobicContact CB-CD 4.11Å; D237-K240 HydrophobicContact CB-CG 4.31Å; D237-K240 PolarHBondContact O-N 3Å; D237-K240 VanDerWaalsContact O-N 3.17Å; Q238-K240 VanDerWaalsContact C-N 3.3Å; Q238-K240 PolarHBondContact O-N 2.99Å; K240-F242 VanDerWaalsContact C-N 3.28Å; K240-F242 PolarHBondContact O-N 2.64Å; K240-E243 PolarHBondContact O-N 3.43Å; K240-L244 WeakPolarHBondContact O-CB 3.48Å; K240-L244 VanDerWaalsContact O-CG 3.27Å; K240-L244 WeakPolarHBondContact O-CG 3.27Å; K240-L244 PolarHBondContact O-N 2.98Å
241T97Very high96.4Very high4 Ų472.5 Ų72.53%0.02536%0.355CS..Hα-helixtrans-56.9-44.7169.2-60.70000110.5H235 D237 Q238 L244 I245H235-T241 PolarHBondContact N-OG1 2.77Å; H235-T241 PolarHBondContact O-OG1 3.47Å; D237-T241 PolarHBondContact O-N 2.97Å; D237-T241 VanDerWaalsContact O-N 3.12Å; Q238-T241 WeakPolarHBondContact O-CB 3.49Å; Q238-T241 PolarHBondContact O-N 3.36Å; T241-L244 PolarHBondContact O-N 3.31Å; T241-I245 HydrophobicContact CG2-CD1 3.9Å; T241-I245 VanDerWaalsContact O-CG1 3.31Å; T241-I245 WeakPolarHBondContact O-CG1 3.48Å; T241-I245 PolarHBondContact O-N 3.34Å
242F97.4Very high96.4Very high39 Ų3974 Ų7417%0.17136%0.36CS..Hα-helixtrans-64.2-41.9176.9-62.5-22.2000113P197 L205 Q238 M239 K240 L244 I245 I246P197-F242 HydrophobicContact CB-CE1 3.92Å; P197-F242 HydrophobicContact CB-CZ 4.5Å; L205-F242 HydrophobicContact CD1-CB 4Å; L205-F242 HydrophobicContact CD1-CD1 3.66Å; L205-F242 HydrophobicContact CD1-CE1 4.41Å; L205-F242 HydrophobicContact CD1-CG 4.04Å; L205-F242 HydrophobicContact CD2-CD1 3.7Å; L205-F242 HydrophobicContact CD2-CE1 3.64Å; L205-F242 HydrophobicContact CD2-CG 4.24Å; L205-F242 HydrophobicContact CD2-CZ 4.15Å; L205-F242 HydrophobicContact CG-CD1 4.35Å; Q238-F242 HydrophobicContact CG-CD2 4.44Å; Q238-F242 HydrophobicContact CG-CE1 4Å; Q238-F242 HydrophobicContact CG-CE2 3.83Å; Q238-F242 HydrophobicContact CG-CZ 3.59Å; Q238-F242 WeakPolarHBondContact O-CG 3.32Å; Q238-F242 PolarHBondContact O-N 3.2Å; M239-F242 HydrophobicContact CE-CD2 4.5Å; M239-F242 HydrophobicContact CE-CE2 4.33Å; M239-F242 WeakPolarHBondContact O-CB 3.19Å; M239-F242 PolarHBondContact O-N 2.87Å; M239-F242 HydrophobicContact SD-CD2 3.9Å; M239-F242 HydrophobicContact SD-CE2 4.32Å; K240-F242 VanDerWaalsContact C-N 3.28Å; K240-F242 PolarHBondContact O-N 2.64Å; F242-L244 VanDerWaalsContact C-N 3.35Å; F242-L244 PolarHBondContact O-N 3.04Å; F242-I245 PolarHBondContact O-N 3Å; F242-I246 VanDerWaalsContact O-CG1 3.27Å; F242-I246 WeakPolarHBondContact O-CG1 3.34Å; F242-I246 PolarHBondContact O-N 3.45Å
243E97.6Very high96.2Very high128 Ų12877 Ų7760%0.59838%0.378SS*.Hα-helixtrans-59.4-44.5174.1-71.7172.7-177.900111.9M239 K240 I246 N247M239-E243 WeakPolarHBondContact O-CG 3.38Å; M239-E243 PolarHBondContact O-N 3.26Å; K240-E243 PolarHBondContact O-N 3.43Å; E243-I246 PolarHBondContact O-N 2.92Å; E243-N247 WeakPolarHBondContact O-CB 3.24Å; E243-N247 PolarHBondContact O-N 2.9Å
244L98.1Very high96Very high68 Ų6887.4 Ų87.436%0.35642%0.423SS..Hα-helixtrans-62.9-42.7177-71.2172.2000112F233 H235 K240 T241 F242 N247 G248F233-L244 HydrophobicContact CB-CB 4.02Å; F233-L244 HydrophobicContact CD1-CB 3.96Å; F233-L244 HydrophobicContact CG-CB 4.35Å; H235-L244 HydrophobicContact CB-CD1 4.26Å; K240-L244 WeakPolarHBondContact O-CB 3.48Å; K240-L244 VanDerWaalsContact O-CG 3.27Å; K240-L244 WeakPolarHBondContact O-CG 3.27Å; K240-L244 PolarHBondContact O-N 2.98Å; T241-L244 PolarHBondContact O-N 3.31Å; F242-L244 VanDerWaalsContact C-N 3.35Å; F242-L244 PolarHBondContact O-N 3.04Å; L244-N247 PolarHBondContact O-N 3.38Å; L244-G248 PolarHBondContact O-N 2.99Å
245I98.1Very high95.8Very high0 Ų091.3 Ų91.30%044%0.444CS..Hα-helixtrans-60.8-45.9175.3-73.1165.9000110.7P197 M200 P202 L205 W217 F233 T241 F242 N247 G248P197-I245 VanDerWaalsContact O-CD1 3.28Å; P197-I245 WeakPolarHBondContact O-CD1 3.35Å; M200-I245 WeakPolarHBondContact O-CG2 3.17Å; P202-I245 HydrophobicContact CB-CG2 4.39Å; P202-I245 HydrophobicContact CG-CG2 3.89Å; P202-I245 WeakPolarHBondContact CG-O 3.38Å; L205-I245 HydrophobicContact CD1-CB 3.91Å; L205-I245 HydrophobicContact CD1-CD1 4.05Å; L205-I245 HydrophobicContact CD1-CG2 3.53Å; W217-I245 HydrophobicContact CZ2-CG2 3.83Å; F233-I245 HydrophobicContact CB-CG1 3.87Å; F233-I245 HydrophobicContact CD2-CG1 3.64Å; F233-I245 HydrophobicContact CE2-CG1 4.42Å; F233-I245 HydrophobicContact CG-CG1 3.89Å; T241-I245 HydrophobicContact CG2-CD1 3.9Å; T241-I245 VanDerWaalsContact O-CG1 3.31Å; T241-I245 WeakPolarHBondContact O-CG1 3.48Å; T241-I245 PolarHBondContact O-N 3.34Å; F242-I245 PolarHBondContact O-N 3Å; I245-N247 VanDerWaalsContact C-N 3.32Å; I245-N247 PolarHBondContact O-N 3.3Å; I245-G248 PolarHBondContact O-N 3.46Å; I245-G248 VanDerWaalsContact O-N 3.14Å
246I97.5Very high95.9Very high71 Ų7188.4 Ų88.436%0.36443%0.43SS..Hα-helixtrans-65.2-37.1-179.9-69.3164.5000111.3L206 F242 E243 G248L206-I246 HydrophobicContact CD2-CD1 3.88Å; L206-I246 HydrophobicContact CD2-CG1 4.24Å; L206-I246 HydrophobicContact CG-CD1 4.43Å; L206-I246 HydrophobicContact CG-CG1 4.35Å; F242-I246 VanDerWaalsContact O-CG1 3.27Å; F242-I246 WeakPolarHBondContact O-CG1 3.34Å; F242-I246 PolarHBondContact O-N 3.45Å; E243-I246 PolarHBondContact O-N 2.92Å; I246-G248 VanDerWaalsContact C-N 3.35Å
247N96.8Very high96.1Very high100 Ų10081 Ų8154%0.53540%0.398SS..Hα-helixtrans-67.4-35.3173-17455.5000112.1E243 L244 I245 E249E243-N247 WeakPolarHBondContact O-CB 3.24Å; E243-N247 PolarHBondContact O-N 2.9Å; L244-N247 PolarHBondContact O-N 3.38Å; I245-N247 VanDerWaalsContact C-N 3.32Å; I245-N247 PolarHBondContact O-N 3.3Å; N247-E249 VanDerWaalsContact ND2-CB 3.25Å; N247-E249 WeakPolarHBondContact ND2-CB 3.27Å; N247-E249 PolarHBondContact ND2-OE2 3.28Å; N247-E249 PolarHBondContact O-N 2.7Å
248G95.3Very high96.2Very high16 Ų1682.3 Ų82.317%0.16541%0.41CS..  trans70.48.217400000115.4L244 I245 I246 I250L244-G248 PolarHBondContact O-N 2.99Å; I245-G248 PolarHBondContact O-N 3.46Å; I245-G248 VanDerWaalsContact O-N 3.14Å; I246-G248 VanDerWaalsContact C-N 3.35Å; G248-I250 PolarHBondContact O-N 2.84Å
249E95.6Very high96.4Very high129 Ų12980.3 Ų80.360%0.60340%0.402SS*.  trans-82115.4-178.8-170.2-171.8164.600111.7N247N247-E249 VanDerWaalsContact ND2-CB 3.25Å; N247-E249 WeakPolarHBondContact ND2-CB 3.27Å; N247-E249 PolarHBondContact ND2-OE2 3.28Å; N247-E249 PolarHBondContact O-N 2.7Å
250I96.5Very high96.5Very high25 Ų2575 Ų7513%0.12838%0.376CS..  trans-100.1139.1177.9-56.1158.1000110.8Y224 P232 F233 G248 F252 I264 I268Y224-I250 HydrophobicContact CD2-CG2 3.89Å; Y224-I250 HydrophobicContact CE2-CG2 3.56Å; P232-I250 HydrophobicContact CB-CG1 4.36Å; P232-I250 HydrophobicContact CB-CG2 3.95Å; F233-I250 HydrophobicContact CE1-CG1 4.08Å; F233-I250 HydrophobicContact CZ-CG1 3.74Å; G248-I250 PolarHBondContact O-N 2.84Å; I250-F252 HydrophobicContact CB-CD2 4.48Å; I250-F252 HydrophobicContact CB-CE2 3.77Å; I250-F252 HydrophobicContact CB-CZ 4.06Å; I250-F252 HydrophobicContact CD1-CZ 4.21Å; I250-F252 HydrophobicContact CG2-CD2 4.08Å; I250-F252 HydrophobicContact CG2-CE1 4.06Å; I250-F252 HydrophobicContact CG2-CE2 3.57Å; I250-F252 HydrophobicContact CG2-CZ 3.56Å; I250-I264 HydrophobicContact CD1-CG2 4.03Å; I250-I268 HydrophobicContact CD1-CB 3.55Å; I250-I268 HydrophobicContact CD1-CD1 3.43Å; I250-I268 VanDerWaalsContact CD1-CD1 3.43Å; I250-I268 HydrophobicContact CD1-CG1 4Å; I250-I268 HydrophobicContact CD1-CG2 3.66Å; I250-I268 HydrophobicContact CG1-CD1 4.34Å; I250-I268 HydrophobicContact CG1-CG2 4.27Å
251K95.6Very high96.6Very high161 Ų16174.1 Ų74.170%0.737%0.372SS*.  trans-98.4130.3172.1-64178-177.2173.90110.2Y224Y224-K251 WeakPolarHBondContact CE2-O 3.36Å; Y224-K251 PolarHBondContact OH-O 3.38Å
252F97.1Very high96.7Very high43 Ų4377 Ų7719%0.18939%0.387CS..  trans-114.7142.7175.3-62.5-88.9000110.3Y224 I250 F256 K261 I264 Q265Y224-F252 HydrophobicContact CD2-CD1 4.41Å; Y224-F252 AromaticContact CD2-CE1 3.99Å; Y224-F252 HydrophobicContact CD2-CE1 3.99Å; Y224-F252 HydrophobicContact CE2-CD1 4.16Å; Y224-F252 HydrophobicContact CE2-CE1 4.14Å; I250-F252 HydrophobicContact CB-CD2 4.48Å; I250-F252 HydrophobicContact CB-CE2 3.77Å; I250-F252 HydrophobicContact CB-CZ 4.06Å; I250-F252 HydrophobicContact CD1-CZ 4.21Å; I250-F252 HydrophobicContact CG2-CD2 4.08Å; I250-F252 HydrophobicContact CG2-CE1 4.06Å; I250-F252 HydrophobicContact CG2-CE2 3.57Å; I250-F252 HydrophobicContact CG2-CZ 3.56Å; F252-F256 HydrophobicContact CB-CB 4.38Å; F252-F256 AromaticContact CD1-CD1 3.94Å; F252-F256 HydrophobicContact CD1-CD1 3.94Å; F252-F256 AromaticContact CD1-CD2 3.78Å; F252-F256 HydrophobicContact CD1-CD2 3.78Å; F252-F256 HydrophobicContact CD1-CE1 4.01Å; F252-F256 AromaticContact CD1-CE2 3.84Å; F252-F256 HydrophobicContact CD1-CE2 3.84Å; F252-F256 AromaticContact CD1-CG 3.82Å; F252-F256 HydrophobicContact CD1-CG 3.82Å; F252-F256 AromaticContact CD1-CZ 3.97Å; F252-F256 HydrophobicContact CD1-CZ 3.97Å; F252-F256 HydrophobicContact CE1-CD1 4.42Å; F252-F256 HydrophobicContact CE1-CE1 4.09Å; F252-F256 HydrophobicContact CE1-CE2 4.28Å; F252-F256 HydrophobicContact CE1-CZ 4.03Å; F252-K261 HydrophobicContact CB-CD 4.14Å; F252-K261 HydrophobicContact CB-CG 4.49Å; F252-K261 HydrophobicContact CD1-CB 4.19Å; F252-K261 HydrophobicContact CD1-CD 4.39Å; F252-K261 HydrophobicContact CD1-CG 3.83Å; F252-K261 HydrophobicContact CD2-CD 4.21Å; F252-K261 HydrophobicContact CD2-CG 4Å; F252-K261 HydrophobicContact CE1-CB 4.27Å; F252-K261 HydrophobicContact CE1-CG 3.96Å; F252-K261 HydrophobicContact CE2-CG 4.12Å; F252-K261 HydrophobicContact CG-CD 4Å; F252-K261 HydrophobicContact CG-CG 3.84Å; F252-K261 HydrophobicContact CZ-CG 4.09Å; F252-I264 HydrophobicContact CE1-CB 4.29Å; F252-I264 HydrophobicContact CE1-CD1 4.47Å; F252-I264 HydrophobicContact CE1-CG2 4.05Å; F252-I264 HydrophobicContact CZ-CB 4.26Å; F252-I264 HydrophobicContact CZ-CG2 3.84Å; F252-Q265 HydrophobicContact CE2-CG 3.72Å; F252-Q265 HydrophobicContact CZ-CG 3.9Å
253T94.1Very high96.7Very high89 Ų8975.1 Ų75.155%0.54638%0.379SS..  trans-77.2160.4171.173.70000110.5L255 F256T253-L255 PolarHBondContact O-N 3.36Å; T253-F256 VanDerWaalsContact O-CB 3.28Å; T253-F256 WeakPolarHBondContact O-CB 3.29Å; T253-F256 PolarHBondContact O-N 3.31Å
254K92.5Very high96.8Very high220 Ų22069 Ų6996%0.95735%0.351SS*.THydrogen-bonded Turntrans-64.2-21.7176.8-66.6-177.6178.8-179.90113.7F256K254-F256 VanDerWaalsContact C-N 3.33Å
255L91.3Very high96.8Very high170 Ų17069.6 Ų69.689%0.8935%0.351SS*.THydrogen-bonded Turntrans-89.2-0.6-179.9-63.9176.6000112.9T253T253-L255 PolarHBondContact O-N 3.36Å
256F96.7Very high96.8Very high12 Ų1272.2 Ų72.25%0.05336%0.363CS..SBendtrans-68.4133.3179.9-149.3-74.2000109.8Y224 T227 T228 F252 T253 K254 P258 L260 K261 I264Y224-F256 AromaticContact CD2-CE2 3.98Å; Y224-F256 HydrophobicContact CD2-CE2 3.98Å; Y224-F256 HydrophobicContact CD2-CZ 4.13Å; Y224-F256 HydrophobicContact CE2-CE2 4.02Å; T227-F256 HydrophobicContact CG2-CD2 4.2Å; T227-F256 HydrophobicContact CG2-CE1 4.2Å; T227-F256 HydrophobicContact CG2-CE2 3.71Å; T227-F256 HydrophobicContact CG2-CZ 3.69Å; T228-F256 HydrophobicContact CG2-CD2 4.25Å; T228-F256 HydrophobicContact CG2-CE2 3.65Å; F252-F256 HydrophobicContact CB-CB 4.38Å; F252-F256 AromaticContact CD1-CD1 3.94Å; F252-F256 HydrophobicContact CD1-CD1 3.94Å; F252-F256 AromaticContact CD1-CD2 3.78Å; F252-F256 HydrophobicContact CD1-CD2 3.78Å; F252-F256 HydrophobicContact CD1-CE1 4.01Å; F252-F256 AromaticContact CD1-CE2 3.84Å; F252-F256 HydrophobicContact CD1-CE2 3.84Å; F252-F256 AromaticContact CD1-CG 3.82Å; F252-F256 HydrophobicContact CD1-CG 3.82Å; F252-F256 AromaticContact CD1-CZ 3.97Å; F252-F256 HydrophobicContact CD1-CZ 3.97Å; F252-F256 HydrophobicContact CE1-CD1 4.42Å; F252-F256 HydrophobicContact CE1-CE1 4.09Å; F252-F256 HydrophobicContact CE1-CE2 4.28Å; F252-F256 HydrophobicContact CE1-CZ 4.03Å; T253-F256 VanDerWaalsContact O-CB 3.28Å; T253-F256 WeakPolarHBondContact O-CB 3.29Å; T253-F256 PolarHBondContact O-N 3.31Å; K254-F256 VanDerWaalsContact C-N 3.33Å; F256-P258 WeakPolarHBondContact O-CD 3.22Å; F256-P258 VanDerWaalsContact O-N 3.12Å; F256-L260 HydrophobicContact CE1-CB 4.08Å; F256-L260 HydrophobicContact CE1-CD2 3.92Å; F256-L260 HydrophobicContact CE1-CG 3.82Å; F256-L260 HydrophobicContact CZ-CD2 4.37Å; F256-K261 HydrophobicContact CD1-CB 3.86Å; F256-K261 HydrophobicContact CE1-CB 4.35Å; F256-I264 HydrophobicContact CE1-CD1 3.83Å; F256-I264 HydrophobicContact CZ-CD1 3.64Å
257N97.7Very high96.9Very high45 Ų4568.8 Ų68.824%0.24135%0.346CS..  trans-53.9119.7178.3178.4-30.5000109.5D133 L259 L260 K261D133-N257 VanDerWaalsContact CG-ND2 3.27Å; D133-N257 PolarHBondContact OD1-ND2 3.03Å; D133-N257 PolarHBondContact OD2-ND2 3.06Å; N257-L259 VanDerWaalsContact C-N 3.26Å; N257-L259 PolarHBondContact O-N 2.94Å; N257-L259 WeakPolarHBondContact OD1-CB 3.33Å; N257-L259 PolarHBondContact OD1-N 3.05Å; N257-L260 HydrophobicContact CB-CB 3.91Å; N257-L260 PolarHBondContact O-N 3.06Å; N257-L260 VanDerWaalsContact O-N 3.15Å; N257-L260 PolarHBondContact OD1-N 3.29Å; N257-K261 WeakPolarHBondContact O-CB 3.41Å; N257-K261 PolarHBondContact O-N 3.49Å
258P98.2Very high96.9Very high99 Ų9964.3 Ų64.364%0.64332%0.322SS*.Hα-helixtrans-57.7-36.1-175.6-27.535.4000114F256 D262F256-P258 WeakPolarHBondContact O-CD 3.22Å; F256-P258 VanDerWaalsContact O-N 3.12Å; P258-D262 WeakPolarHBondContact O-CB 3.41Å; P258-D262 PolarHBondContact O-N 3.4Å
259L98.4Very high97.1Very high58 Ų5866.5 Ų66.530%0.30433%0.328SS..Hα-helixtrans-73.8-38.7179-59.1-179.9000111.9N257 D262 L263 H289 H290 Y291N257-L259 VanDerWaalsContact C-N 3.26Å; N257-L259 PolarHBondContact O-N 2.94Å; N257-L259 WeakPolarHBondContact OD1-CB 3.33Å; N257-L259 PolarHBondContact OD1-N 3.05Å; L259-D262 PolarHBondContact O-N 3.33Å; L259-L263 PolarHBondContact O-N 2.81Å; L259-H289 PolarHBondContact O-CE1 2.81Å; L259-H289 VanDerWaalsContact O-CE1 3.23Å; L259-H290 VanDerWaalsContact CD1-CD2 3.46Å; L259-H290 WeakPolarHBondContact CD1-CD2 3.47Å; L259-H290 HydrophobicContact CD2-CB 4.41Å; L259-Y291 HydrophobicContact CB-CD2 3.99Å
260L98.6Very high97.2Very high0 Ų063.2 Ų63.20%032%0.317CS..Hα-helixtrans-68.2-40.3175-175.254.1000111V136 L223 T227 F256 N257 D262 L263 I264 Y291V136-L260 HydrophobicContact CG1-CD2 3.95Å; L223-L260 HydrophobicContact CB-CD1 4.23Å; L223-L260 HydrophobicContact CD1-CD1 3.99Å; L223-L260 HydrophobicContact CD2-CD1 4.41Å; L223-L260 HydrophobicContact CG-CD1 4.46Å; T227-L260 HydrophobicContact CG2-CD2 4.3Å; T227-L260 VanDerWaalsContact OG1-CD2 3.26Å; T227-L260 WeakPolarHBondContact OG1-CD2 3.38Å; F256-L260 HydrophobicContact CE1-CB 4.08Å; F256-L260 HydrophobicContact CE1-CD2 3.92Å; F256-L260 HydrophobicContact CE1-CG 3.82Å; F256-L260 HydrophobicContact CZ-CD2 4.37Å; N257-L260 HydrophobicContact CB-CB 3.91Å; N257-L260 PolarHBondContact O-N 3.06Å; N257-L260 VanDerWaalsContact O-N 3.15Å; N257-L260 PolarHBondContact OD1-N 3.29Å; L260-D262 VanDerWaalsContact C-N 3.34Å; L260-L263 HydrophobicContact CD1-CD2 4.41Å; L260-L263 PolarHBondContact O-N 3.39Å; L260-I264 HydrophobicContact CD1-CD1 4.05Å; L260-I264 HydrophobicContact CD1-CG1 4.16Å; L260-I264 HydrophobicContact CD2-CD1 4.45Å; L260-I264 HydrophobicContact CG-CD1 3.82Å; L260-I264 HydrophobicContact CG-CG1 4.37Å; L260-I264 WeakPolarHBondContact O-CB 3.49Å; L260-I264 VanDerWaalsContact O-CG1 3.29Å; L260-I264 WeakPolarHBondContact O-CG1 3.27Å; L260-I264 PolarHBondContact O-N 3.47Å; L260-Y291 HydrophobicContact CB-CD2 3.82Å; L260-Y291 HydrophobicContact CB-CE2 3.58Å; L260-Y291 HydrophobicContact CB-CG 4.49Å; L260-Y291 HydrophobicContact CD1-CD1 4.03Å; L260-Y291 HydrophobicContact CD1-CD2 4.39Å; L260-Y291 HydrophobicContact CD1-CE1 3.68Å; L260-Y291 HydrophobicContact CD1-CE2 4.09Å; L260-Y291 HydrophobicContact CD1-CG 4.36Å; L260-Y291 HydrophobicContact CD2-CE2 4.39Å; L260-Y291 HydrophobicContact CG-CE2 4.2Å
261K98.5Very high97.2Very high79 Ų7966 Ų6634%0.34333%0.331SS..Hα-helixtrans-55.8-51.5173.5173.4-176.8172.5-169.90110.2F252 F256 N257 L263 I264 Q265F252-K261 HydrophobicContact CB-CD 4.14Å; F252-K261 HydrophobicContact CB-CG 4.49Å; F252-K261 HydrophobicContact CD1-CB 4.19Å; F252-K261 HydrophobicContact CD1-CD 4.39Å; F252-K261 HydrophobicContact CD1-CG 3.83Å; F252-K261 HydrophobicContact CD2-CD 4.21Å; F252-K261 HydrophobicContact CD2-CG 4Å; F252-K261 HydrophobicContact CE1-CB 4.27Å; F252-K261 HydrophobicContact CE1-CG 3.96Å; F252-K261 HydrophobicContact CE2-CG 4.12Å; F252-K261 HydrophobicContact CG-CD 4Å; F252-K261 HydrophobicContact CG-CG 3.84Å; F252-K261 HydrophobicContact CZ-CG 4.09Å; F256-K261 HydrophobicContact CD1-CB 3.86Å; F256-K261 HydrophobicContact CE1-CB 4.35Å; N257-K261 WeakPolarHBondContact O-CB 3.41Å; N257-K261 PolarHBondContact O-N 3.49Å; K261-L263 VanDerWaalsContact C-N 3.33Å; K261-L263 PolarHBondContact O-N 2.99Å; K261-I264 PolarHBondContact O-N 3.22Å; K261-Q265 HydrophobicContact CG-CG 4.41Å; K261-Q265 WeakPolarHBondContact O-CB 3.35Å; K261-Q265 VanDerWaalsContact O-CG 3.31Å; K261-Q265 WeakPolarHBondContact O-CG 3.19Å; K261-Q265 PolarHBondContact O-N 3.35Å
262D98.5Very high97.2Very high65 Ų6560.6 Ų60.635%0.34831%0.31SS..Hα-helixtrans-58.1-45179.3-170.968.2000111.7P258 L259 L260 Q265 H266 H289P258-D262 WeakPolarHBondContact O-CB 3.41Å; P258-D262 PolarHBondContact O-N 3.4Å; L259-D262 PolarHBondContact O-N 3.33Å; L260-D262 VanDerWaalsContact C-N 3.34Å; D262-Q265 PolarHBondContact O-N 3.5Å; D262-H266 PolarHBondContact O-N 3.2Å; D262-H266 VanDerWaalsContact O-N 3.15Å; D262-H266 PolarHBondContact O-ND1 3.45Å; D262-H266 IonicContact OD1-CE1 2.77Å; D262-H266 PolarHBondContact OD1-CE1 3.15Å; D262-H266 IonicContact OD1-ND1 3.79Å; D262-H266 IonicContact OD2-CE1 2.86Å; D262-H266 IonicContact OD2-ND1 3.45Å; D262-H289 IonicContact OD2-CE1 2.68Å; D262-H289 IonicContact OD2-NE2 3.66Å; D262-H289 PolarHBondContact OD2-NE2 3.17Å
263L98.7Very high97.2Very high0 Ų062.5 Ų62.50%033%0.329CS..Hα-helixtrans-59-50.6174.617858.2000112.4L223 L259 L260 K261 Q265 H266 L267 Y276 I286 H289 Y291 F292L223-L263 HydrophobicContact CD1-CD2 3.94Å; L223-L263 HydrophobicContact CD1-CG 4.44Å; L259-L263 PolarHBondContact O-N 2.81Å; L260-L263 HydrophobicContact CD1-CD2 4.41Å; L260-L263 PolarHBondContact O-N 3.39Å; K261-L263 VanDerWaalsContact C-N 3.33Å; K261-L263 PolarHBondContact O-N 2.99Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.48Å; L263-H266 PolarHBondContact O-N 2.95Å; L263-H266 VanDerWaalsContact O-N 3.09Å; L263-L267 HydrophobicContact CD1-CD1 3.95Å; L263-L267 HydrophobicContact CD1-CG 4.13Å; L263-L267 HydrophobicContact CD2-CD1 4.45Å; L263-L267 HydrophobicContact CG-CD1 3.79Å; L263-L267 HydrophobicContact CG-CG 4.4Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 2.85Å; L263-Y276 HydrophobicContact CD1-CD2 4.32Å; L263-I286 HydrophobicContact CD1-CG2 4.36Å; L263-H289 HydrophobicContact CD1-CB 4.08Å; L263-Y291 HydrophobicContact CD2-CD1 3.86Å; L263-Y291 HydrophobicContact CD2-CG 4.34Å; L263-F292 HydrophobicContact CD2-CD2 4.29Å; L263-F292 HydrophobicContact CD2-CE2 3.44Å; L263-F292 VanDerWaalsContact CD2-CE2 3.44Å; L263-F292 HydrophobicContact CD2-CZ 3.93Å
264I98.7Very high97.3Very high0 Ų060.7 Ų60.70%032%0.32CS..Hα-helixtrans-61.4-39.8-179.2-70.4170000110.4L223 I250 F252 F256 L260 K261 H266 L267 I268L223-I264 HydrophobicContact CB-CD1 3.93Å; L223-I264 HydrophobicContact CB-CG1 3.98Å; L223-I264 HydrophobicContact CD1-CG1 4.29Å; I250-I264 HydrophobicContact CD1-CG2 4.03Å; F252-I264 HydrophobicContact CE1-CB 4.29Å; F252-I264 HydrophobicContact CE1-CD1 4.47Å; F252-I264 HydrophobicContact CE1-CG2 4.05Å; F252-I264 HydrophobicContact CZ-CB 4.26Å; F252-I264 HydrophobicContact CZ-CG2 3.84Å; F256-I264 HydrophobicContact CE1-CD1 3.83Å; F256-I264 HydrophobicContact CZ-CD1 3.64Å; L260-I264 HydrophobicContact CD1-CD1 4.05Å; L260-I264 HydrophobicContact CD1-CG1 4.16Å; L260-I264 HydrophobicContact CD2-CD1 4.45Å; L260-I264 HydrophobicContact CG-CD1 3.82Å; L260-I264 HydrophobicContact CG-CG1 4.37Å; L260-I264 WeakPolarHBondContact O-CB 3.49Å; L260-I264 VanDerWaalsContact O-CG1 3.29Å; L260-I264 WeakPolarHBondContact O-CG1 3.27Å; L260-I264 PolarHBondContact O-N 3.47Å; K261-I264 PolarHBondContact O-N 3.22Å; I264-H266 VanDerWaalsContact C-N 3.27Å; I264-H266 PolarHBondContact O-N 3.09Å; I264-L267 PolarHBondContact O-N 3.25Å; I264-I268 HydrophobicContact CG2-CD1 3.69Å; I264-I268 HydrophobicContact CG2-CG1 4.19Å; I264-I268 PolarHBondContact O-N 3.32Å
265Q98.4Very high97.6Very high79 Ų7950.2 Ų50.237%0.36927%0.274SS..Hα-helixtrans-61.3-35.1176.1-73.5-177.5-74.200111.8F252 K261 D262 L263 Q269F252-Q265 HydrophobicContact CE2-CG 3.72Å; F252-Q265 HydrophobicContact CZ-CG 3.9Å; K261-Q265 HydrophobicContact CG-CG 4.41Å; K261-Q265 WeakPolarHBondContact O-CB 3.35Å; K261-Q265 VanDerWaalsContact O-CG 3.31Å; K261-Q265 WeakPolarHBondContact O-CG 3.19Å; K261-Q265 PolarHBondContact O-N 3.35Å; D262-Q265 PolarHBondContact O-N 3.5Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.48Å; Q265-Q269 VanDerWaalsContact O-CG 3.3Å; Q265-Q269 WeakPolarHBondContact O-CG 3.34Å; Q265-Q269 PolarHBondContact O-NE2 3.41Å
266H98.4Very high97.9Very high55 Ų5544.1 Ų44.126%0.25524%0.24SC..Hα-helixtrans-80.8-21.5175.4-68.496.9000114.2D262 L263 I264 R275 Y276D262-H266 PolarHBondContact O-N 3.2Å; D262-H266 VanDerWaalsContact O-N 3.15Å; D262-H266 PolarHBondContact O-ND1 3.45Å; D262-H266 IonicContact OD1-CE1 2.77Å; D262-H266 PolarHBondContact OD1-CE1 3.15Å; D262-H266 IonicContact OD1-ND1 3.79Å; D262-H266 IonicContact OD2-CE1 2.86Å; D262-H266 IonicContact OD2-ND1 3.45Å; L263-H266 PolarHBondContact O-N 2.95Å; L263-H266 VanDerWaalsContact O-N 3.09Å; I264-H266 VanDerWaalsContact C-N 3.27Å; I264-H266 PolarHBondContact O-N 3.09Å; H266-R275 WeakPolarHBondContact O-CA 3.37Å; H266-Y276 HydrophobicContact CB-CD1 3.75Å; H266-Y276 HydrophobicContact CB-CD2 3.41Å; H266-Y276 VanDerWaalsContact CB-CD2 3.41Å; H266-Y276 HydrophobicContact CB-CE1 3.84Å; H266-Y276 HydrophobicContact CB-CE2 3.47Å; H266-Y276 VanDerWaalsContact CB-CE2 3.47Å; H266-Y276 HydrophobicContact CB-CG 3.55Å; H266-Y276 AromaticContact CD2-CE1 3.51Å; H266-Y276 AromaticContact CD2-CZ 3.49Å; H266-Y276 VanDerWaalsContact CD2-CZ 3.49Å; H266-Y276 AromaticContact CG-CE1 3.79Å; H266-Y276 AromaticContact CG-CE2 3.63Å; H266-Y276 AromaticContact CG-CZ 3.47Å; H266-Y276 VanDerWaalsContact CG-CZ 3.47Å; H266-Y276 AromaticContact ND1-CZ 3.99Å; H266-Y276 PolarHBondContact O-N 3.2Å
267L98.6Very high97.9Very high0 Ų044.3 Ų44.30%024%0.244CC..Hα-helixtrans-82.6-43.1176-71.1168.9000112.7W216 F219 L223 L263 I264 Q269 R275 I286W216-L267 HydrophobicContact CB-CD2 4.12Å; F219-L267 HydrophobicContact CD1-CD1 3.58Å; F219-L267 HydrophobicContact CD1-CD2 4.17Å; F219-L267 HydrophobicContact CE1-CD1 3.88Å; L223-L267 HydrophobicContact CD1-CD1 3.85Å; L263-L267 HydrophobicContact CD1-CD1 3.95Å; L263-L267 HydrophobicContact CD1-CG 4.13Å; L263-L267 HydrophobicContact CD2-CD1 4.45Å; L263-L267 HydrophobicContact CG-CD1 3.79Å; L263-L267 HydrophobicContact CG-CG 4.4Å; L263-L267 WeakPolarHBondContact O-CG 3.47Å; L263-L267 PolarHBondContact O-N 2.85Å; I264-L267 PolarHBondContact O-N 3.25Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 PolarHBondContact O-N 3.05Å; L267-Q269 VanDerWaalsContact O-N 3.17Å; L267-R275 WeakPolarHBondContact O-CD 3.47Å; L267-R275 VanDerWaalsContact O-CG 3.25Å; L267-R275 WeakPolarHBondContact O-CG 3.1Å; L267-I286 HydrophobicContact CD2-CD1 3.63Å; L267-I286 HydrophobicContact CD2-CG1 3.94Å
268I98.4Very high97.8Very high5 Ų545 Ų453%0.02625%0.248CC..SBendtrans-92.674.4179.3-54.2179.2000108.2W217 I221 P232 F233 I250 I264W217-I268 HydrophobicContact CD2-CG2 4.07Å; W217-I268 HydrophobicContact CE3-CB 4.38Å; W217-I268 HydrophobicContact CE3-CG2 3.78Å; W217-I268 HydrophobicContact CH2-CG2 3.35Å; W217-I268 HydrophobicContact CZ2-CG2 3.64Å; W217-I268 HydrophobicContact CZ3-CB 4.37Å; W217-I268 HydrophobicContact CZ3-CG2 3.42Å; W217-I268 VanDerWaalsContact CZ3-CG2 3.42Å; I221-I268 HydrophobicContact CD1-CD1 3.68Å; I221-I268 HydrophobicContact CD1-CG1 4.46Å; I221-I268 HydrophobicContact CG1-CD1 4.34Å; P232-I268 HydrophobicContact CG-CD1 4.3Å; F233-I268 HydrophobicContact CE2-CG2 3.96Å; F233-I268 HydrophobicContact CZ-CG2 3.91Å; I250-I268 HydrophobicContact CD1-CB 3.55Å; I250-I268 HydrophobicContact CD1-CD1 3.43Å; I250-I268 VanDerWaalsContact CD1-CD1 3.43Å; I250-I268 HydrophobicContact CD1-CG1 4Å; I250-I268 HydrophobicContact CD1-CG2 3.66Å; I250-I268 HydrophobicContact CG1-CD1 4.34Å; I250-I268 HydrophobicContact CG1-CG2 4.27Å; I264-I268 HydrophobicContact CG2-CD1 3.69Å; I264-I268 HydrophobicContact CG2-CG1 4.19Å; I264-I268 PolarHBondContact O-N 3.32Å
269Q98.2Very high97.6Very high63 Ų6343 Ų4329%0.29423%0.232SC..  trans-117.5122.9176.9-75.1-67.7-32.400109.5Q265 L267 D271 R275Q265-Q269 VanDerWaalsContact O-CG 3.3Å; Q265-Q269 WeakPolarHBondContact O-CG 3.34Å; Q265-Q269 PolarHBondContact O-NE2 3.41Å; L267-Q269 VanDerWaalsContact C-N 3.32Å; L267-Q269 PolarHBondContact O-N 3.05Å; L267-Q269 VanDerWaalsContact O-N 3.17Å; Q269-D271 VanDerWaalsContact C-N 3.33Å; Q269-R275 HydrophobicContact CB-CB 3.91Å; Q269-R275 HydrophobicContact CB-CG 4.21Å; Q269-R275 VanDerWaalsContact O-CZ 3.26Å; Q269-R275 PolarHBondContact O-NE 2.89Å; Q269-R275 PolarHBondContact O-NH2 2.83Å
270V97.4Very high97.4Very high60 Ų6050.2 Ų50.236%0.36426%0.261SS..SBendtrans-66.5-40.7175.5-179.80000109.9P202 W217 L272P202-V270 HydrophobicContact CB-CG1 4.33Å; P202-V270 HydrophobicContact CG-CG1 4.41Å; P202-V270 HydrophobicContact CG-CG2 4.13Å; W217-V270 HydrophobicContact CH2-CG2 4.34Å; W217-V270 HydrophobicContact CZ3-CG2 4.29Å; V270-L272 PolarHBondContact O-N 3.16Å
271D96.7Very high97.2Very high82 Ų8254.9 Ų54.944%0.43929%0.286SS..SBendtrans-76.5112.7171.7-179.315.4000110.9Q269 S273 S274 R275Q269-D271 VanDerWaalsContact C-N 3.33Å; D271-S273 VanDerWaalsContact CG-OG 3.27Å; D271-S273 PolarHBondContact O-N 2.75Å; D271-S273 WeakPolarHBondContact OD1-CB 3.33Å; D271-S273 PolarHBondContact OD1-N 3.21Å; D271-S273 PolarHBondContact OD1-OG 2.96Å; D271-S273 PolarHBondContact OD2-OG 3.03Å; D271-S274 PolarHBondContact O-N 2.88Å; D271-R275 PolarHBondContact O-N 2.85Å
272L96.6Very high96.9Very high49 Ų4951.9 Ų51.926%0.25728%0.278SS..G310 helixtrans-57.9-27.9176-67.1178.4000112.8P213 V270 S274 R275 N278P213-L272 HydrophobicContact CB-CD2 4.09Å; V270-L272 PolarHBondContact O-N 3.16Å; L272-S274 PolarHBondContact O-N 2.99Å; L272-R275 VanDerWaalsContact CD2-CZ 3.48Å; L272-R275 PolarHBondContact O-N 3Å; L272-N278 PolarHBondContact O-ND2 2.79Å
273S96.1Very high96.8Very high82 Ų8250.2 Ų50.257%0.57327%0.268SS*.G310 helixtrans-68.9-13.5179.493.50000113.6D271 L279D271-S273 VanDerWaalsContact CG-OG 3.27Å; D271-S273 PolarHBondContact O-N 2.75Å; D271-S273 WeakPolarHBondContact OD1-CB 3.33Å; D271-S273 PolarHBondContact OD1-N 3.21Å; D271-S273 PolarHBondContact OD1-OG 2.96Å; D271-S273 PolarHBondContact OD2-OG 3.03Å; S273-L279 WeakPolarHBondContact O-CD2 3.37Å
274S97.1Very high96.6Very high51 Ų5152.2 Ų52.236%0.35728%0.279SS..G310 helixtrans-116.7-1.7179.3-61.60000112.7D271 L272D271-S274 PolarHBondContact O-N 2.88Å; L272-S274 PolarHBondContact O-N 2.99Å
275R98.4Very high96.5Very high0 Ų053.4 Ų53.40%029%0.285CS..  trans-81.8121.5-178.8-163.5-177.1-63.3165.54.1112E203 P213 H266 L267 Q269 D271 L272 N278 L279E203-R275 IonicContact OE1-CZ 3.59Å; E203-R275 IonicContact OE1-NH1 2.85Å; E203-R275 PolarHBondContact OE1-NH1 2.79Å; E203-R275 IonicContact OE1-NH2 3.69Å; E203-R275 PolarHBondContact OE1-NH2 2.8Å; E203-R275 IonicContact OE2-CZ 3.73Å; E203-R275 IonicContact OE2-NH1 3.02Å; E203-R275 IonicContact OE2-NH2 2.67Å; E203-R275 PolarHBondContact OE2-NH2 3.36Å; P213-R275 PolarHBondContact O-NH1 2.78Å; H266-R275 WeakPolarHBondContact O-CA 3.37Å; L267-R275 WeakPolarHBondContact O-CD 3.47Å; L267-R275 VanDerWaalsContact O-CG 3.25Å; L267-R275 WeakPolarHBondContact O-CG 3.1Å; Q269-R275 HydrophobicContact CB-CB 3.91Å; Q269-R275 HydrophobicContact CB-CG 4.21Å; Q269-R275 VanDerWaalsContact O-CZ 3.26Å; Q269-R275 PolarHBondContact O-NE 2.89Å; Q269-R275 PolarHBondContact O-NH2 2.83Å; D271-R275 PolarHBondContact O-N 2.85Å; L272-R275 VanDerWaalsContact CD2-CZ 3.48Å; L272-R275 PolarHBondContact O-N 3Å; R275-N278 HydrophobicContact CB-CB 4.5Å; R275-N278 WeakPolarHBondContact O-CB 3.45Å; R275-N278 PolarHBondContact O-N 3.33Å; R275-L279 WeakPolarHBondContact O-CG 3.45Å; R275-L279 PolarHBondContact O-N 3.1Å
276Y98.2Very high96.5Very high43 Ų4349.6 Ų49.617%0.16927%0.268CS..THydrogen-bonded Turntrans-57.2142.5170.1-78.96.3000111.5L263 H266 N278 L279 D285 H289L263-Y276 HydrophobicContact CD1-CD2 4.32Å; H266-Y276 HydrophobicContact CB-CD1 3.75Å; H266-Y276 HydrophobicContact CB-CD2 3.41Å; H266-Y276 VanDerWaalsContact CB-CD2 3.41Å; H266-Y276 HydrophobicContact CB-CE1 3.84Å; H266-Y276 HydrophobicContact CB-CE2 3.47Å; H266-Y276 VanDerWaalsContact CB-CE2 3.47Å; H266-Y276 HydrophobicContact CB-CG 3.55Å; H266-Y276 AromaticContact CD2-CE1 3.51Å; H266-Y276 AromaticContact CD2-CZ 3.49Å; H266-Y276 VanDerWaalsContact CD2-CZ 3.49Å; H266-Y276 AromaticContact CG-CE1 3.79Å; H266-Y276 AromaticContact CG-CE2 3.63Å; H266-Y276 AromaticContact CG-CZ 3.47Å; H266-Y276 VanDerWaalsContact CG-CZ 3.47Å; H266-Y276 AromaticContact ND1-CZ 3.99Å; H266-Y276 PolarHBondContact O-N 3.2Å; Y276-N278 VanDerWaalsContact C-N 3.27Å; Y276-L279 HydrophobicContact CD1-CD1 3.69Å; Y276-L279 HydrophobicContact CD1-CG 4.41Å; Y276-L279 HydrophobicContact CE1-CD1 3.89Å; Y276-D285 HydrophobicContact CD1-CB 3.86Å; Y276-D285 HydrophobicContact CD2-CB 4.1Å; Y276-D285 HydrophobicContact CE1-CB 4.23Å; Y276-D285 HydrophobicContact CE2-CB 4.49Å; Y276-D285 HydrophobicContact CG-CB 3.78Å; Y276-H289 AromaticContact CE2-CD2 3.84Å
277G95.9Very high96.5Very high15 Ų1547.5 Ų47.516%0.15526%0.258CS..THydrogen-bonded Turntrans86.7-16.1-168.900000114.4G282G277-G282 WeakPolarHBondContact CA-O 3.48Å; G277-G282 PolarHBondContact N-O 3.28Å
278N96.1Very high96.4Very high60 Ų6053.6 Ų53.632%0.32129%0.29SS..THydrogen-bonded Turntrans-112-10173.9-169.666.6000113.9P213 L272 R275 Y276P213-N278 HydrophobicContact CB-CB 4.06Å; P213-N278 HydrophobicContact CG-CB 3.75Å; P213-N278 WeakPolarHBondContact CG-OD1 3.32Å; L272-N278 PolarHBondContact O-ND2 2.79Å; R275-N278 HydrophobicContact CB-CB 4.5Å; R275-N278 WeakPolarHBondContact O-CB 3.45Å; R275-N278 PolarHBondContact O-N 3.33Å; Y276-N278 VanDerWaalsContact C-N 3.27Å
279L94.9Very high96.4Very high56 Ų5654 Ų5429%0.29329%0.292SS..SBendtrans-75.6-179.2177.7-45.5-173.7000111.6S273 R275 Y276 N281 G282 D285S273-L279 WeakPolarHBondContact O-CD2 3.37Å; R275-L279 WeakPolarHBondContact O-CG 3.45Å; R275-L279 PolarHBondContact O-N 3.1Å; Y276-L279 HydrophobicContact CD1-CD1 3.69Å; Y276-L279 HydrophobicContact CD1-CG 4.41Å; Y276-L279 HydrophobicContact CE1-CD1 3.89Å; L279-N281 VanDerWaalsContact C-N 3.27Å; L279-N281 PolarHBondContact O-N 2.89Å; L279-G282 WeakPolarHBondContact O-CA 3.5Å; L279-G282 PolarHBondContact O-N 3.47Å; L279-D285 WeakPolarHBondContact CB-OD2 3.41Å
280K93.3Very high96.3Very high211 Ų21156.4 Ų56.492%0.91730%0.303SS*.THydrogen-bonded Turntrans-57.3-34.1-177.1-173.2-179.9176.9-175.90113.9G282K280-G282 VanDerWaalsContact C-N 3.34Å
281N93.4Very high96.4Very high97 Ų9753.6 Ų53.652%0.51929%0.286SS..THydrogen-bonded Turntrans-89-4.6178-45.1-50.7000112.6L279 I283 N284 D285L279-N281 VanDerWaalsContact C-N 3.27Å; L279-N281 PolarHBondContact O-N 2.89Å; N281-I283 PolarHBondContact O-N 3.42Å; N281-N284 HydrophobicContact CB-CB 4.13Å; N281-N284 VanDerWaalsContact O-CB 3.32Å; N281-N284 WeakPolarHBondContact O-CB 3.35Å; N281-N284 PolarHBondContact O-N 2.94Å; N281-N284 VanDerWaalsContact O-N 3.08Å; N281-D285 WeakPolarHBondContact CB-OD1 3.07Å; N281-D285 PolarHBondContact ND2-OD1 3.27Å
282G93.4Very high96.5Very high17 Ų1749.9 Ų49.918%0.17527%0.266CS..THydrogen-bonded Turntrans55.6-127177.100000112.3G277 L279 K280 N284 D285G277-G282 WeakPolarHBondContact CA-O 3.48Å; G277-G282 PolarHBondContact N-O 3.28Å; L279-G282 WeakPolarHBondContact O-CA 3.5Å; L279-G282 PolarHBondContact O-N 3.47Å; K280-G282 VanDerWaalsContact C-N 3.34Å; G282-N284 PolarHBondContact O-N 3.25Å; G282-N284 VanDerWaalsContact O-N 3.15Å; G282-D285 PolarHBondContact N-OD2 2.79Å; G282-D285 PolarHBondContact O-N 3.1Å
283I95Very high96.5Very high30 Ų3053.4 Ų53.415%0.15428%0.281CS..THydrogen-bonded Turntrans-58.5-25.1179-177.354.3000113.7I144 E148 W216 N281 D285 I286 K287I144-I283 HydrophobicContact CG2-CD1 3.88Å; E148-I283 HydrophobicContact CB-CG1 4.16Å; E148-I283 HydrophobicContact CG-CG1 3.97Å; E148-I283 HydrophobicContact CG-CG2 4.32Å; W216-I283 HydrophobicContact CH2-CD1 3.23Å; W216-I283 HydrophobicContact CH2-CG1 4.43Å; W216-I283 HydrophobicContact CZ2-CD1 3.35Å; W216-I283 HydrophobicContact CZ2-CG1 4.31Å; W216-I283 HydrophobicContact CZ3-CD1 3.97Å; N281-I283 PolarHBondContact O-N 3.42Å; I283-D285 PolarHBondContact O-N 3.08Å; I283-I286 HydrophobicContact CD1-CB 4.16Å; I283-I286 HydrophobicContact CD1-CD1 4.09Å; I283-I286 WeakPolarHBondContact O-CB 3.23Å; I283-I286 PolarHBondContact O-N 2.73Å; I283-K287 HydrophobicContact CD1-CD 4.42Å; I283-K287 HydrophobicContact CD1-CG 4.27Å; I283-K287 HydrophobicContact CG1-CD 3.82Å; I283-K287 HydrophobicContact CG1-CG 4.11Å; I283-K287 PolarHBondContact O-N 2.64Å
284N95.6Very high96.4Very high41 Ų4154.1 Ų54.122%0.21928%0.278CS..Hα-helixtrans-68.5-24.1-179.4-68-45.8000112.7H4 N281 G282 I286 N288H4-N284 PolarHBondContact ND1-OD1 3.1Å; N281-N284 HydrophobicContact CB-CB 4.13Å; N281-N284 VanDerWaalsContact O-CB 3.32Å; N281-N284 WeakPolarHBondContact O-CB 3.35Å; N281-N284 PolarHBondContact O-N 2.94Å; N281-N284 VanDerWaalsContact O-N 3.08Å; G282-N284 PolarHBondContact O-N 3.25Å; G282-N284 VanDerWaalsContact O-N 3.15Å; N284-I286 PolarHBondContact O-N 2.83Å; N284-N288 VanDerWaalsContact O-CB 3.25Å; N284-N288 WeakPolarHBondContact O-CB 3.34Å; N284-N288 PolarHBondContact O-N 3.18Å; N284-N288 PolarHBondContact O-ND2 2.78Å
285D97.2Very high96.4Very high25 Ų2552.7 Ų52.713%0.13427%0.266CS..Hα-helixtrans-64-27.9172.1-62.7-48.9000111.3Y276 L279 N281 G282 I283Y276-D285 HydrophobicContact CD1-CB 3.86Å; Y276-D285 HydrophobicContact CD2-CB 4.1Å; Y276-D285 HydrophobicContact CE1-CB 4.23Å; Y276-D285 HydrophobicContact CE2-CB 4.49Å; Y276-D285 HydrophobicContact CG-CB 3.78Å; L279-D285 WeakPolarHBondContact CB-OD2 3.41Å; N281-D285 WeakPolarHBondContact CB-OD1 3.07Å; N281-D285 PolarHBondContact ND2-OD1 3.27Å; G282-D285 PolarHBondContact N-OD2 2.79Å; G282-D285 PolarHBondContact O-N 3.1Å; I283-D285 PolarHBondContact O-N 3.08Å
286I98.2Very high96.4Very high0 Ų055.9 Ų55.90%028%0.283CS..Hα-helixtrans-86.8-52.5177.6-54.2173.2000110.3I144 W216 F219 L263 L267 I283 N284 N288 H289 F292I144-I286 HydrophobicContact CD1-CG2 3.64Å; I144-I286 HydrophobicContact CG1-CG2 4.07Å; W216-I286 HydrophobicContact CB-CD1 4.37Å; W216-I286 HydrophobicContact CD2-CD1 3.39Å; W216-I286 HydrophobicContact CE3-CD1 3.39Å; W216-I286 HydrophobicContact CG-CD1 3.83Å; W216-I286 HydrophobicContact CH2-CD1 4.43Å; W216-I286 HydrophobicContact CZ2-CD1 4.42Å; W216-I286 HydrophobicContact CZ3-CD1 3.94Å; F219-I286 HydrophobicContact CE1-CG2 4.19Å; L263-I286 HydrophobicContact CD1-CG2 4.36Å; L267-I286 HydrophobicContact CD2-CD1 3.63Å; L267-I286 HydrophobicContact CD2-CG1 3.94Å; I283-I286 HydrophobicContact CD1-CB 4.16Å; I283-I286 HydrophobicContact CD1-CD1 4.09Å; I283-I286 WeakPolarHBondContact O-CB 3.23Å; I283-I286 PolarHBondContact O-N 2.73Å; N284-I286 PolarHBondContact O-N 2.83Å; I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.18Å; I286-H289 WeakPolarHBondContact O-CB 3.38Å; I286-H289 PolarHBondContact O-N 2.78Å; I286-H289 VanDerWaalsContact O-N 3.13Å; I286-F292 HydrophobicContact CG2-CE2 4.34Å; I286-F292 WeakPolarHBondContact O-CD2 3.5Å
287K97Very high96.3Very high11 Ų1155 Ų555%0.04828%0.28CS..Hα-helixtrans-65.6-31.9-175.1-74.7176.572.9168.80113.9I144 E148 I283 H289 W297I144-K287 HydrophobicContact CG2-CD 4.1Å; I144-K287 HydrophobicContact CG2-CG 3.66Å; E148-K287 VanDerWaalsContact CD-NZ 3.32Å; E148-K287 IonicContact OE1-NZ 2.96Å; E148-K287 PolarHBondContact OE1-NZ 2.82Å; E148-K287 VanDerWaalsContact OE1-NZ 3.12Å; E148-K287 WeakPolarHBondContact OE2-CD 3.44Å; E148-K287 IonicContact OE2-NZ 3.87Å; E148-K287 PolarHBondContact OE2-NZ 2.74Å; I283-K287 HydrophobicContact CD1-CD 4.42Å; I283-K287 HydrophobicContact CD1-CG 4.27Å; I283-K287 HydrophobicContact CG1-CD 3.82Å; I283-K287 HydrophobicContact CG1-CG 4.11Å; I283-K287 PolarHBondContact O-N 2.64Å; K287-H289 VanDerWaalsContact C-N 3.34Å; K287-W297 HydrophobicContact CB-CH2 4.42Å; K287-W297 HydrophobicContact CB-CZ2 3.76Å; K287-W297 HydrophobicContact CG-CD2 4.37Å; K287-W297 HydrophobicContact CG-CH2 3.91Å; K287-W297 HydrophobicContact CG-CZ2 3.73Å; K287-W297 HydrophobicContact CG-CZ3 4.28Å; K287-W297 WeakPolarHBondContact O-CZ2 3.37Å; K287-W297 PolarHBondContact O-NE1 3.06Å
288N96.6Very high96.3Very high127 Ų12756.1 Ų56.168%0.67928%0.282SS*.THydrogen-bonded Turntrans-93.24.2178.1-58.7-36.9000112.7N284 I286N284-N288 VanDerWaalsContact O-CB 3.25Å; N284-N288 WeakPolarHBondContact O-CB 3.34Å; N284-N288 PolarHBondContact O-N 3.18Å; N284-N288 PolarHBondContact O-ND2 2.78Å; I286-N288 VanDerWaalsContact C-N 3.32Å; I286-N288 PolarHBondContact O-N 3.18Å
289H98.3Very high96.4Very high15 Ų1557.7 Ų57.77%0.06929%0.288CS..SBendtrans-60141.7175.8-168.8-95.2000110.8L259 D262 L263 Y276 I286 K287 Y291 F292L259-H289 PolarHBondContact O-CE1 2.81Å; L259-H289 VanDerWaalsContact O-CE1 3.23Å; D262-H289 IonicContact OD2-CE1 2.68Å; D262-H289 IonicContact OD2-NE2 3.66Å; D262-H289 PolarHBondContact OD2-NE2 3.17Å; L263-H289 HydrophobicContact CD1-CB 4.08Å; Y276-H289 AromaticContact CE2-CD2 3.84Å; I286-H289 WeakPolarHBondContact O-CB 3.38Å; I286-H289 PolarHBondContact O-N 2.78Å; I286-H289 VanDerWaalsContact O-N 3.13Å; K287-H289 VanDerWaalsContact C-N 3.34Å; H289-Y291 VanDerWaalsContact ND1-CB 3.3Å; H289-Y291 WeakPolarHBondContact ND1-CB 3.49Å; H289-Y291 PolarHBondContact ND1-N 2.92Å; H289-Y291 VanDerWaalsContact ND1-N 3.16Å; H289-Y291 PolarHBondContact O-N 3.01Å; H289-F292 HydrophobicContact CB-CD2 4.48Å; H289-F292 PolarHBondContact O-N 3.07Å
290H98Very high96.5Very high113 Ų11355 Ų5552%0.52327%0.274SS..G310 helixtrans-60.9-22.2-174.6-164.964.9000113.4L259 F292 H293L259-H290 VanDerWaalsContact CD1-CD2 3.46Å; L259-H290 WeakPolarHBondContact CD1-CD2 3.47Å; L259-H290 HydrophobicContact CD2-CB 4.41Å; H290-F292 PolarHBondContact O-N 2.78Å; H290-H293 WeakPolarHBondContact O-CB 3.4Å; H290-H293 PolarHBondContact O-N 2.97Å; H290-H293 PolarHBondContact O-ND1 3.11Å
291Y98.6Very high96.7Very high1 Ų146.2 Ų46.20%0.00424%0.235CC..G310 helixtrans-56.2-33.4171.2-176.2-112000113.5D133 K137 L259 L260 L263 H289D133-Y291 PolarHBondContact O-OH 3.06Å; D133-Y291 VanDerWaalsContact OD1-CE2 3.3Å; D133-Y291 WeakPolarHBondContact OD1-CE2 3.4Å; D133-Y291 PolarHBondContact OD1-OH 2.67Å; K137-Y291 HydrophobicContact CB-CE1 3.98Å; K137-Y291 WeakPolarHBondContact CE-O 3.48Å; K137-Y291 HydrophobicContact CG-CE1 3.95Å; K137-Y291 PolarHBondContact NZ-O 2.63Å; L259-Y291 HydrophobicContact CB-CD2 3.99Å; L260-Y291 HydrophobicContact CB-CD2 3.82Å; L260-Y291 HydrophobicContact CB-CE2 3.58Å; L260-Y291 HydrophobicContact CB-CG 4.49Å; L260-Y291 HydrophobicContact CD1-CD1 4.03Å; L260-Y291 HydrophobicContact CD1-CD2 4.39Å; L260-Y291 HydrophobicContact CD1-CE1 3.68Å; L260-Y291 HydrophobicContact CD1-CE2 4.09Å; L260-Y291 HydrophobicContact CD1-CG 4.36Å; L260-Y291 HydrophobicContact CD2-CE2 4.39Å; L260-Y291 HydrophobicContact CG-CE2 4.2Å; L263-Y291 HydrophobicContact CD2-CD1 3.86Å; L263-Y291 HydrophobicContact CD2-CG 4.34Å; H289-Y291 VanDerWaalsContact ND1-CB 3.3Å; H289-Y291 WeakPolarHBondContact ND1-CB 3.49Å; H289-Y291 PolarHBondContact ND1-N 2.92Å; H289-Y291 VanDerWaalsContact ND1-N 3.16Å; H289-Y291 PolarHBondContact O-N 3.01Å
292F98.2Very high96.9Very high4 Ų446.9 Ų46.92%0.01824%0.235CC..G310 helixtrans-102.115.8-179.2-61.7-66.8000113.4K137 I144 F219 L263 I286 H289 H290 D294 L295 W297K137-F292 HydrophobicContact CD-CD1 4.43Å; K137-F292 HydrophobicContact CG-CD1 3.69Å; K137-F292 HydrophobicContact CG-CE1 3.86Å; I144-F292 HydrophobicContact CD1-CD2 4.32Å; I144-F292 HydrophobicContact CD1-CE1 4.22Å; I144-F292 HydrophobicContact CD1-CE2 3.46Å; I144-F292 VanDerWaalsContact CD1-CE2 3.46Å; I144-F292 HydrophobicContact CD1-CZ 3.42Å; I144-F292 VanDerWaalsContact CD1-CZ 3.42Å; F219-F292 HydrophobicContact CZ-CZ 4.39Å; L263-F292 HydrophobicContact CD2-CD2 4.29Å; L263-F292 HydrophobicContact CD2-CE2 3.44Å; L263-F292 VanDerWaalsContact CD2-CE2 3.44Å; L263-F292 HydrophobicContact CD2-CZ 3.93Å; I286-F292 HydrophobicContact CG2-CE2 4.34Å; I286-F292 WeakPolarHBondContact O-CD2 3.5Å; H289-F292 HydrophobicContact CB-CD2 4.48Å; H289-F292 PolarHBondContact O-N 3.07Å; H290-F292 PolarHBondContact O-N 2.78Å; F292-D294 PolarHBondContact O-N 2.89Å; F292-D294 VanDerWaalsContact O-N 3.11Å; F292-L295 HydrophobicContact CB-CB 4.25Å; F292-L295 HydrophobicContact CD1-CB 4.47Å; F292-L295 HydrophobicContact CD1-CD2 3.68Å; F292-L295 HydrophobicContact CE1-CD2 4.3Å; F292-L295 HydrophobicContact CG-CD2 4.44Å; F292-L295 WeakPolarHBondContact O-CB 3.21Å; F292-L295 PolarHBondContact O-N 2.8Å; F292-W297 HydrophobicContact CB-CH2 4.49Å; F292-W297 HydrophobicContact CB-CZ2 3.83Å; F292-W297 HydrophobicContact CD1-CH2 4.28Å; F292-W297 HydrophobicContact CD1-CZ2 4.43Å; F292-W297 HydrophobicContact CD2-CH2 4.34Å; F292-W297 HydrophobicContact CD2-CZ2 4.23Å; F292-W297 HydrophobicContact CG-CH2 4.14Å; F292-W297 AromaticContact CG-CZ2 3.94Å; F292-W297 HydrophobicContact CG-CZ2 3.94Å
293H96.3Very high97.1Very high123 Ų12349.1 Ų49.157%0.56924%0.242SC*.THydrogen-bonded Turntrans-57.4-29.5-174.973.5-78000114.1H290H290-H293 WeakPolarHBondContact O-CB 3.4Å; H290-H293 PolarHBondContact O-N 2.97Å; H290-H293 PolarHBondContact O-ND1 3.11Å
294D95.8Very high97.2Very high97 Ų9753.1 Ų53.152%0.51926%0.264SS..THydrogen-bonded Turntrans-95.8-0.7-179.960.6-30.5000113.4K137 F292K137-D294 IonicContact NZ-OD1 2.67Å; K137-D294 PolarHBondContact NZ-OD1 2.89Å; K137-D294 IonicContact NZ-OD2 3.4Å; K137-D294 PolarHBondContact NZ-OD2 3.36Å; F292-D294 PolarHBondContact O-N 2.89Å; F292-D294 VanDerWaalsContact O-N 3.11Å
295L97.2Very high97.3Very high20 Ų2053 Ų5311%0.10526%0.263CS..  trans-91.6114.4-179.4-176.563.4000111.2F292 W297 L300 I305F292-L295 HydrophobicContact CB-CB 4.25Å; F292-L295 HydrophobicContact CD1-CB 4.47Å; F292-L295 HydrophobicContact CD1-CD2 3.68Å; F292-L295 HydrophobicContact CE1-CD2 4.3Å; F292-L295 HydrophobicContact CG-CD2 4.44Å; F292-L295 WeakPolarHBondContact O-CB 3.21Å; F292-L295 PolarHBondContact O-N 2.8Å; L295-W297 HydrophobicContact CD2-CE3 4.23Å; L295-W297 HydrophobicContact CD2-CH2 3.78Å; L295-W297 HydrophobicContact CD2-CZ2 4.09Å; L295-W297 HydrophobicContact CD2-CZ3 3.88Å; L295-W297 PolarHBondContact O-N 2.85Å; L295-L300 HydrophobicContact CD1-CD2 4.29Å; L295-L300 HydrophobicContact CD2-CD2 4.15Å; L295-I305 HydrophobicContact CD1-CD1 3.79Å
296N96.6Very high97.3Very high68 Ų6860.8 Ų60.836%0.36430%0.295SS..  trans-81.6103.9171.6-174.1-38.2000110.7L298 Q299 L300N296-L298 VanDerWaalsContact C-N 3.31Å; N296-L298 PolarHBondContact O-N 3.01Å; N296-L298 PolarHBondContact OD1-N 2.85Å; N296-L298 VanDerWaalsContact OD1-N 3.08Å; N296-Q299 HydrophobicContact CB-CB 4Å; N296-Q299 HydrophobicContact CB-CG 4.12Å; N296-Q299 PolarHBondContact O-N 3.01Å; N296-Q299 PolarHBondContact OD1-N 3.45Å; N296-L300 PolarHBondContact O-N 3.48Å
297W97.1Very high97.2Very high24 Ų2461.9 Ų61.99%0.09130%0.302CS..Hα-helixtrans-57.7-37.2-178.1-63.1104.1000114.3F7 I144 L145 K287 F292 L295 L300 Y301F7-W297 HydrophobicContact CE2-CB 3.71Å; F7-W297 HydrophobicContact CZ-CB 4.22Å; I144-W297 HydrophobicContact CB-CH2 4.32Å; I144-W297 HydrophobicContact CB-CZ3 4.12Å; I144-W297 HydrophobicContact CD1-CH2 3.79Å; I144-W297 HydrophobicContact CD1-CZ3 4.39Å; I144-W297 HydrophobicContact CG2-CH2 3.93Å; I144-W297 HydrophobicContact CG2-CZ3 3.79Å; L145-W297 HydrophobicContact CD1-CE3 4.18Å; L145-W297 HydrophobicContact CD2-CE3 3.88Å; L145-W297 HydrophobicContact CD2-CZ3 4.45Å; L145-W297 HydrophobicContact CG-CE3 3.95Å; L145-W297 HydrophobicContact CG-CZ3 4.25Å; K287-W297 HydrophobicContact CB-CH2 4.42Å; K287-W297 HydrophobicContact CB-CZ2 3.76Å; K287-W297 HydrophobicContact CG-CD2 4.37Å; K287-W297 HydrophobicContact CG-CH2 3.91Å; K287-W297 HydrophobicContact CG-CZ2 3.73Å; K287-W297 HydrophobicContact CG-CZ3 4.28Å; K287-W297 WeakPolarHBondContact O-CZ2 3.37Å; K287-W297 PolarHBondContact O-NE1 3.06Å; F292-W297 HydrophobicContact CB-CH2 4.49Å; F292-W297 HydrophobicContact CB-CZ2 3.83Å; F292-W297 HydrophobicContact CD1-CH2 4.28Å; F292-W297 HydrophobicContact CD1-CZ2 4.43Å; F292-W297 HydrophobicContact CD2-CH2 4.34Å; F292-W297 HydrophobicContact CD2-CZ2 4.23Å; F292-W297 HydrophobicContact CG-CH2 4.14Å; F292-W297 AromaticContact CG-CZ2 3.94Å; F292-W297 HydrophobicContact CG-CZ2 3.94Å; L295-W297 HydrophobicContact CD2-CE3 4.23Å; L295-W297 HydrophobicContact CD2-CH2 3.78Å; L295-W297 HydrophobicContact CD2-CZ2 4.09Å; L295-W297 HydrophobicContact CD2-CZ3 3.88Å; L295-W297 PolarHBondContact O-N 2.85Å; W297-L300 PolarHBondContact O-N 3.24Å; W297-Y301 WeakPolarHBondContact O-CB 3.34Å; W297-Y301 PolarHBondContact O-N 3.36Å
298L96.1Very high97.2Very high39 Ų3963.8 Ų63.820%0.20432%0.316CS..Hα-helixtrans-73.4-43.6-180-65.8164.2000111.2A3 E6 F7 N296 L300 Y301 H302A3-L298 HydrophobicContact CB-CD1 3.89Å; A3-L298 HydrophobicContact CB-CG 4Å; E6-L298 HydrophobicContact CB-CD2 4.16Å; E6-L298 WeakPolarHBondContact OE2-CD1 3.49Å; E6-L298 VanDerWaalsContact OE2-CD2 3.28Å; E6-L298 WeakPolarHBondContact OE2-CD2 3.27Å; F7-L298 HydrophobicContact CD2-CD2 4.41Å; F7-L298 HydrophobicContact CE2-CD2 3.92Å; F7-L298 HydrophobicContact CE2-CG 4.41Å; F7-L298 HydrophobicContact CZ-CD2 4.26Å; N296-L298 VanDerWaalsContact C-N 3.31Å; N296-L298 PolarHBondContact O-N 3.01Å; N296-L298 PolarHBondContact OD1-N 2.85Å; N296-L298 VanDerWaalsContact OD1-N 3.08Å; L298-L300 PolarHBondContact O-N 3.2Å; L298-Y301 PolarHBondContact O-N 3.23Å; L298-H302 WeakPolarHBondContact O-CB 3Å; L298-H302 PolarHBondContact O-CD2 2.85Å; L298-H302 PolarHBondContact O-N 3.45Å
299Q97.3Very high97Very high93 Ų9361 Ų6144%0.43530%0.297SS..Hα-helixtrans-62.4-37.2174.3-70.8-175.9-0.400111.2N296 L303 N304 I305N296-Q299 HydrophobicContact CB-CB 4Å; N296-Q299 HydrophobicContact CB-CG 4.12Å; N296-Q299 PolarHBondContact O-N 3.01Å; N296-Q299 PolarHBondContact OD1-N 3.45Å; Q299-L303 PolarHBondContact O-N 3.39Å; Q299-N304 HydrophobicContact CB-CB 4.18Å; Q299-N304 HydrophobicContact CG-CB 4.45Å; Q299-N304 PolarHBondContact O-N 2.85Å; Q299-I305 HydrophobicContact CB-CD1 4.25Å; Q299-I305 HydrophobicContact CB-CG1 3.82Å
300L98Very high96.7Very high0 Ų066.1 Ų66.10%032%0.32CS..Hα-helixtrans-61.5-53.6174-171.868000110.5F95 F138 G141 Q142 L145 F172 L295 N296 W297 L298 H302 L303 I305F95-L300 HydrophobicContact CZ-CG 4.26Å; F95-L300 WeakPolarHBondContact CZ-O 3.46Å; F138-L300 HydrophobicContact CD2-CD1 3.94Å; F138-L300 HydrophobicContact CE2-CD1 3.85Å; G141-L300 VanDerWaalsContact C-CD2 3.45Å; Q142-L300 HydrophobicContact CG-CD1 3.88Å; Q142-L300 HydrophobicContact CG-CD2 4.08Å; Q142-L300 HydrophobicContact CG-CG 4.07Å; L145-L300 HydrophobicContact CD1-CD2 4Å; L145-L300 HydrophobicContact CD1-CG 4.36Å; F172-L300 HydrophobicContact CE1-CD1 4.14Å; L295-L300 HydrophobicContact CD1-CD2 4.29Å; L295-L300 HydrophobicContact CD2-CD2 4.15Å; N296-L300 PolarHBondContact O-N 3.48Å; W297-L300 PolarHBondContact O-N 3.24Å; L298-L300 PolarHBondContact O-N 3.2Å; L300-H302 VanDerWaalsContact C-N 3.3Å; L300-H302 PolarHBondContact O-N 3.24Å; L300-L303 PolarHBondContact O-N 3.45Å; L300-I305 HydrophobicContact CB-CD1 3.76Å; L300-I305 HydrophobicContact CD1-CD1 3.96Å; L300-I305 HydrophobicContact CG-CD1 4.47Å
301Y97.3Very high96.2Very high26 Ų2661 Ų6110%0.10230%0.297CS..Hα-helixtrans-58.1-38.5179.8175.3-105.4000113.6F7 L10 F93 T94 F95 W297 L298 L303F7-Y301 HydrophobicContact CE1-CD1 4.33Å; F7-Y301 HydrophobicContact CE1-CD2 4.05Å; F7-Y301 AromaticContact CE1-CG 3.8Å; F7-Y301 HydrophobicContact CE1-CG 3.8Å; F7-Y301 HydrophobicContact CZ-CG 4.18Å; L10-Y301 HydrophobicContact CD2-CD1 4.36Å; L10-Y301 HydrophobicContact CD2-CE1 3.62Å; L10-Y301 HydrophobicContact CD2-CE2 3.91Å; L10-Y301 WeakPolarHBondContact CD2-OH 3.46Å; F93-Y301 HydrophobicContact CD2-CE2 4.05Å; F93-Y301 HydrophobicContact CE2-CD2 4.01Å; F93-Y301 AromaticContact CE2-CE2 3.34Å; F93-Y301 HydrophobicContact CE2-CE2 3.34Å; F93-Y301 AromaticContact CZ-CD2 3.86Å; F93-Y301 HydrophobicContact CZ-CD2 3.86Å; F93-Y301 AromaticContact CZ-CE2 3.68Å; F93-Y301 HydrophobicContact CZ-CE2 3.68Å; T94-Y301 WeakPolarHBondContact CG2-O 3.42Å; T94-Y301 WeakPolarHBondContact OG1-CE2 3.44Å; T94-Y301 PolarHBondContact OG1-O 2.71Å; F95-Y301 HydrophobicContact CE2-CD2 4.43Å; W297-Y301 WeakPolarHBondContact O-CB 3.34Å; W297-Y301 PolarHBondContact O-N 3.36Å; L298-Y301 PolarHBondContact O-N 3.23Å; Y301-L303 PolarHBondContact O-N 3.31Å
302H97.2Very high95.2Very high111 Ų11164.8 Ų64.851%0.51432%0.324SS..THydrogen-bonded Turntrans-83.37.1177-69.4-58.4000114.1L298 L300 N304L298-H302 WeakPolarHBondContact O-CB 3Å; L298-H302 PolarHBondContact O-CD2 2.85Å; L298-H302 PolarHBondContact O-N 3.45Å; L300-H302 VanDerWaalsContact C-N 3.3Å; L300-H302 PolarHBondContact O-N 3.24Å; H302-N304 WeakPolarHBondContact CB-ND2 3.06Å; H302-N304 PolarHBondContact O-N 3.44Å; H302-N304 PolarHBondContact O-OD1 3.42Å
303L97.6Very high93.7Very high64 Ų6468.5 Ų68.534%0.33534%0.343SS..THydrogen-bonded Turntrans61.827.3179.1-48175.8000113.8T94 F95 F172 Q299 L300 Y301T94-L303 HydrophobicContact CG2-CD1 4.11Å; T94-L303 HydrophobicContact CG2-CD2 3.58Å; T94-L303 HydrophobicContact CG2-CG 3.89Å; F95-L303 HydrophobicContact CE1-CD2 3.7Å; F95-L303 HydrophobicContact CZ-CD2 4.15Å; F172-L303 HydrophobicContact CB-CD2 4.07Å; F172-L303 HydrophobicContact CD1-CD2 3.37Å; F172-L303 HydrophobicContact CD2-CB 4.43Å; F172-L303 HydrophobicContact CD2-CD2 3.95Å; F172-L303 HydrophobicContact CE1-CB 4.3Å; F172-L303 HydrophobicContact CE1-CD2 3.62Å; F172-L303 HydrophobicContact CE2-CB 3.99Å; F172-L303 HydrophobicContact CE2-CD2 4.19Å; F172-L303 HydrophobicContact CG-CD2 3.53Å; F172-L303 VanDerWaalsContact CZ-CA 3.48Å; F172-L303 HydrophobicContact CZ-CB 3.91Å; F172-L303 HydrophobicContact CZ-CD2 4.03Å; Q299-L303 PolarHBondContact O-N 3.39Å; L300-L303 PolarHBondContact O-N 3.45Å; Y301-L303 PolarHBondContact O-N 3.31Å
304N97.6Very high91.9Very high114 Ų11467.9 Ų67.961%0.6134%0.344SS*.  trans-93.25-177.4-70.2-29.1000113.6Q299 H302Q299-N304 HydrophobicContact CB-CB 4.18Å; Q299-N304 HydrophobicContact CG-CB 4.45Å; Q299-N304 PolarHBondContact O-N 2.85Å; H302-N304 WeakPolarHBondContact CB-ND2 3.06Å; H302-N304 PolarHBondContact O-N 3.44Å; H302-N304 PolarHBondContact O-OD1 3.42Å
305I97.4Very high90Very high38 Ų3866.5 Ų66.520%0.19533%0.332CS..SBendtrans-96131.7174.2-62.4-177.2000108.8F138 F172 L295 Q299 L300 P307F138-I305 HydrophobicContact CD2-CG2 4.06Å; F138-I305 HydrophobicContact CE2-CB 4.28Å; F138-I305 HydrophobicContact CE2-CG2 3.97Å; F172-I305 WeakPolarHBondContact CZ-O 3.05Å; L295-I305 HydrophobicContact CD1-CD1 3.79Å; Q299-I305 HydrophobicContact CB-CD1 4.25Å; Q299-I305 HydrophobicContact CB-CG1 3.82Å; L300-I305 HydrophobicContact CB-CD1 3.76Å; L300-I305 HydrophobicContact CD1-CD1 3.96Å; L300-I305 HydrophobicContact CG-CD1 4.47Å; I305-P307 WeakPolarHBondContact O-CD 3.46Å
306K97Very high88.2Confident188 Ų18868.7 Ų68.782%0.81735%0.346SS*.PPolyproline II helixtrans-62.5121.4174.9-175.9178.6178.8179.70109.7
307P97Very high86.5Confident23 Ų2368.5 Ų68.515%0.14935%0.347CS..PPolyproline II helixtrans-67.2143.8179.732.1-40.2000110.6F138 N170 I305 Y309F138-P307 HydrophobicContact CE1-CB 4.05Å; F138-P307 HydrophobicContact CZ-CB 3.82Å; N170-P307 WeakPolarHBondContact O-CG 3.34Å; I305-P307 WeakPolarHBondContact O-CD 3.46Å; P307-Y309 VanDerWaalsContact C-N 3.27Å; P307-Y309 PolarHBondContact O-N 3.42Å
308P96Very high84.7Confident51 Ų5169.6 Ų69.633%0.33135%0.352SS..SBendtrans-73.5-20.7177.830.5-34.7000112.8M135 F138M135-P308 HydrophobicContact CB-CB 4.22Å; M135-P308 HydrophobicContact CB-CG 3.99Å; M135-P308 HydrophobicContact CG-CB 4.43Å; M135-P308 HydrophobicContact CG-CG 3.9Å; F138-P308 HydrophobicContact CB-CG 4.1Å; F138-P308 HydrophobicContact CD1-CG 3.73Å; F138-P308 HydrophobicContact CE1-CG 4.37Å; F138-P308 HydrophobicContact CG-CG 4.02Å
309Y93.4Very high83Confident70 Ų7073 Ų7328%0.27537%0.37SS..  trans-133.7131.8176170-100.5000108.9L124 M135 I167 G171 P307 P311L124-Y309 HydrophobicContact CD1-CD2 4.23Å; L124-Y309 HydrophobicContact CD1-CE1 4.29Å; L124-Y309 HydrophobicContact CD1-CE2 3.91Å; L124-Y309 HydrophobicContact CD2-CD1 3.53Å; L124-Y309 HydrophobicContact CD2-CD2 4.34Å; L124-Y309 HydrophobicContact CD2-CE1 3.73Å; L124-Y309 HydrophobicContact CD2-CG 3.87Å; M135-Y309 HydrophobicContact CE-CG 4.3Å; I167-Y309 HydrophobicContact CD1-CD1 4.25Å; I167-Y309 HydrophobicContact CD1-CE1 4.06Å; I167-Y309 HydrophobicContact CG2-CD1 4.42Å; I167-Y309 HydrophobicContact CG2-CE1 4.46Å; G171-Y309 WeakPolarHBondContact CA-O 3.47Å; P307-Y309 VanDerWaalsContact C-N 3.27Å; P307-Y309 PolarHBondContact O-N 3.42Å; Y309-P311 HydrophobicContact CD1-CG 4.44Å; Y309-P311 HydrophobicContact CE1-CB 4.36Å; Y309-P311 HydrophobicContact CE1-CG 3.86Å
310Q91.2Very high81.2Confident121 Ų12171.3 Ų71.357%0.56536%0.364SS*.  trans-120119.6175.2-170.8162-300108.5
311P87.3Confident79.3Confident6 Ų672.2 Ų72.24%0.03937%0.369CS..  trans-57.1143.9177.7-2533.2000111.9I167 Y309 L313I167-P311 HydrophobicContact CG2-CG 3.73Å; Y309-P311 HydrophobicContact CD1-CG 4.44Å; Y309-P311 HydrophobicContact CE1-CB 4.36Å; Y309-P311 HydrophobicContact CE1-CG 3.86Å; P311-L313 PolarHBondContact O-N 2.54Å; P311-L313 VanDerWaalsContact O-N 3.11Å
312S77.8Confident77.2Confident80 Ų8074.7 Ų74.756%0.55938%0.384SS*.  trans-61.5115.8171.5-59.80000109.6L314S312-L314 PolarHBondContact O-N 2.54Å
313L67.7Low74.9Confident82 Ų8277.8 Ų77.843%0.42940%0.398SS..  trans-74.815.4179.1-61.1178.2000113.4P311 Y315 T316P311-L313 PolarHBondContact O-N 2.54Å; P311-L313 VanDerWaalsContact O-N 3.11Å; L313-Y315 PolarHBondContact O-N 2.89Å; L313-T316 HydrophobicContact CB-CG2 3.64Å; L313-T316 HydrophobicContact CD2-CG2 3.53Å; L313-T316 HydrophobicContact CG-CG2 4.1Å; L313-T316 WeakPolarHBondContact O-CG2 3.49Å; L313-T316 PolarHBondContact O-N 3.46Å; L313-T316 PolarHBondContact O-OG1 2.89Å
314L56.7Low72.7Confident111 Ų11178.7 Ų78.758%0.58140%0.401SS*.THydrogen-bonded Turntrans-58.1-7.2176.9-71.3172.5000112.8S312 D320S312-L314 PolarHBondContact O-N 2.54Å; L314-D320 WeakPolarHBondContact O-CB 3.38Å
315Y57.4Low70.3Confident68 Ų6880.2 Ų80.227%0.26741%0.41SS..THydrogen-bonded Turntrans-136.538.2-174.8-46.7-67.2000112.8I117 L313 M324I117-Y315 WeakPolarHBondContact CD1-O 3.21Å; L313-Y315 PolarHBondContact O-N 2.89Å; Y315-M324 HydrophobicContact CD1-CE 4.16Å; Y315-M324 HydrophobicContact CE1-CE 3.19Å; Y315-M324 HydrophobicContact CE1-CG 4.22Å; Y315-M324 HydrophobicContact CE2-CE 4.11Å; Y315-M324 WeakPolarHBondContact OH-CE 3.45Å
316T59.4Low68Low65 Ų6586.1 Ų86.140%0.39944%0.436SS..SBendtrans-88-23.7-176.152.80000113.4I117 L313 D320I117-T316 HydrophobicContact CD1-CG2 3.76Å; L313-T316 HydrophobicContact CB-CG2 3.64Å; L313-T316 HydrophobicContact CD2-CG2 3.53Å; L313-T316 HydrophobicContact CG-CG2 4.1Å; L313-T316 WeakPolarHBondContact O-CG2 3.49Å; L313-T316 PolarHBondContact O-N 3.46Å; L313-T316 PolarHBondContact O-OG1 2.89Å; T316-D320 PolarHBondContact N-OD2 3.34Å
317T61Low65.7Low65 Ų6581.9 Ų81.940%0.39943%0.43SS..SBendtrans-119.3156.1179.273.90000111.4N319 D320 I321T317-N319 PolarHBondContact O-N 3.35Å; T317-D320 WeakPolarHBondContact CB-OD2 3.46Å; T317-D320 PolarHBondContact N-OD2 3.35Å; T317-D320 PolarHBondContact O-N 2.83Å; T317-D320 PolarHBondContact OG1-OD1 3.26Å; T317-D320 PolarHBondContact OG1-OD2 3.2Å; T317-I321 PolarHBondContact O-N 3.16Å
318Y57.7Low63.8Low47 Ų4785 Ų8518%0.18445%0.446CS..Hα-helixtrans-53.6-36.5173.5174.9-105000112.5E37 L39 R54 D320 I321 N322E37-Y318 WeakPolarHBondContact OE2-CE2 3.16Å; L39-Y318 HydrophobicContact CD1-CD2 4.11Å; L39-Y318 HydrophobicContact CD2-CD2 3.94Å; L39-Y318 HydrophobicContact CD2-CE2 3.62Å; R54-Y318 VanDerWaalsContact CD-CD2 3.43Å; Y318-D320 PolarHBondContact O-N 3.39Å; Y318-I321 PolarHBondContact O-N 2.89Å; Y318-N322 WeakPolarHBondContact CE1-ND2 3.4Å; Y318-N322 VanDerWaalsContact CZ-ND2 3.3Å; Y318-N322 PolarHBondContact O-N 3.4Å; Y318-N322 PolarHBondContact OH-ND2 2.88Å
319N60.4Low62.3Low111 Ų11190.8 Ų90.859%0.59447%0.468SS*.Hα-helixtrans-62.6-33.2178.7-67.9-11.4000112T317 H323T317-N319 PolarHBondContact O-N 3.35Å; N319-H323 PolarHBondContact O-CD2 3.4Å
320D59.8Low61.4Low56 Ų5691.3 Ų91.330%0.29948%0.475SS..Hα-helixtrans-76.3-29.4179.5-45.7-47.6000112.5L314 T316 T317 Y318L314-D320 WeakPolarHBondContact O-CB 3.38Å; T316-D320 PolarHBondContact N-OD2 3.34Å; T317-D320 WeakPolarHBondContact CB-OD2 3.46Å; T317-D320 PolarHBondContact N-OD2 3.35Å; T317-D320 PolarHBondContact O-N 2.83Å; T317-D320 PolarHBondContact OG1-OD1 3.26Å; T317-D320 PolarHBondContact OG1-OD2 3.2Å; Y318-D320 PolarHBondContact O-N 3.39Å
321I57.5Low60.8Low20 Ų2087.6 Ų87.610%0.10346%0.459CS..Hα-helixtrans-74.4-32.5-177.7-61.4163.6000111.5L39 L52 L61 T317 Y318 H323 M324L39-I321 HydrophobicContact CD1-CD1 3.96Å; L52-I321 HydrophobicContact CD2-CD1 3.76Å; L61-I321 HydrophobicContact CD1-CD1 3.9Å; L61-I321 HydrophobicContact CD2-CD1 4.24Å; T317-I321 PolarHBondContact O-N 3.16Å; Y318-I321 PolarHBondContact O-N 2.89Å; I321-H323 PolarHBondContact O-N 3.2Å; I321-H323 VanDerWaalsContact O-N 3.16Å; I321-M324 WeakPolarHBondContact O-CB 3.44Å; I321-M324 PolarHBondContact O-N 3.32Å
322N53.2Low60.5Low77 Ų7794.8 Ų94.841%0.41249%0.492SS..THydrogen-bonded Turntrans-66.2-13.2179.1-79.2-19.4000114.3Y318 M324Y318-N322 WeakPolarHBondContact CE1-ND2 3.4Å; Y318-N322 VanDerWaalsContact CZ-ND2 3.3Å; Y318-N322 PolarHBondContact O-N 3.4Å; Y318-N322 PolarHBondContact OH-ND2 2.88Å; N322-M324 VanDerWaalsContact C-N 3.3Å
323H50.6Low60.9Low176 Ų17691.8 Ų91.882%0.81547%0.469SS*.THydrogen-bonded Turntrans-89.19.1176.5-69.8-62.8000113.8N319 I321N319-H323 PolarHBondContact O-CD2 3.4Å; I321-H323 PolarHBondContact O-N 3.2Å; I321-H323 VanDerWaalsContact O-N 3.16Å
324M50.4Low61.8Low83 Ų8392.9 Ų92.941%0.40948%0.476SS..SBendtrans-89.5138.5173.8-82.6-92.9164.500112.1Y315 I321 N322 H326Y315-M324 HydrophobicContact CD1-CE 4.16Å; Y315-M324 HydrophobicContact CE1-CE 3.19Å; Y315-M324 HydrophobicContact CE1-CG 4.22Å; Y315-M324 HydrophobicContact CE2-CE 4.11Å; Y315-M324 WeakPolarHBondContact OH-CE 3.45Å; I321-M324 WeakPolarHBondContact O-CB 3.44Å; I321-M324 PolarHBondContact O-N 3.32Å; N322-M324 VanDerWaalsContact C-N 3.3Å; M324-H326 PolarHBondContact O-N 3.03Å
325D48.5Very low63.4Low146 Ų14690.8 Ų90.878%0.78146%0.464SS*.  trans-55.7122.5158.9-76.4-38000108.6S327D325-S327 PolarHBondContact O-N 3.22Å; D325-S327 PolarHBondContact O-OG 3.2Å
326H48.5Very low64.8Low162 Ų16290.4 Ų90.475%0.7547%0.467SS*.  trans-65.437.6-179.9-65.3-73000114.2M324 N328M324-H326 PolarHBondContact O-N 3.03Å; H326-N328 PolarHBondContact O-N 3.13Å
327S48.5Very low66.1Low100 Ų10095.3 Ų95.370%0.69949%0.491SS*.  trans-65.3-19.1-178.1560000114D325 E329D325-S327 PolarHBondContact O-N 3.22Å; D325-S327 PolarHBondContact O-OG 3.2Å; S327-E329 PolarHBondContact O-N 3.01Å
328N57Low67.2Low88 Ų88100.3 Ų100.347%0.47151%0.507SS..SBendtrans-90.292.7168.2-71.6-5.4000108.9H326 L330H326-N328 PolarHBondContact O-N 3.13Å; N328-L330 PolarHBondContact O-N 3.26Å
329E65.2Low68.5Low173 Ų173100.8 Ų100.881%0.80851%0.511SS*.PPolyproline II helixtrans-47.2125171-70.6-177.1166.800110.1S327 I331S327-E329 PolarHBondContact O-N 3.01Å; E329-I331 PolarHBondContact O-N 2.84Å
330L72.7Confident69.5Low80 Ų80101.2 Ų101.242%0.41951%0.509SS..PPolyproline II helixtrans-62.6122.8169.9-77.8171.9000108.1R38 N328 H332R38-L330 HydrophobicContact CB-CD2 4Å; N328-L330 PolarHBondContact O-N 3.26Å; L330-H332 PolarHBondContact O-N 2.87Å
331I78.7Confident70.6Confident43 Ų43100.6 Ų100.622%0.22150%0.504CS..PPolyproline II helixtrans-61128177.2-64.7153.3000109.2R38 T41 H49 L51 E329 L333R38-I331 PolarHBondContact NH1-O 3.34Å; T41-I331 HydrophobicContact CG2-CD1 3.66Å; T41-I331 WeakPolarHBondContact OG1-CD1 3.33Å; H49-I331 HydrophobicContact CB-CD1 3.79Å; H49-I331 WeakPolarHBondContact CD2-CD1 3.31Å; L51-I331 HydrophobicContact CD2-CD1 4.2Å; E329-I331 PolarHBondContact O-N 2.84Å; I331-L333 PolarHBondContact O-N 2.75Å
332H82.5Confident71.3Confident157 Ų157106.1 Ų106.173%0.72753%0.529SS*.  trans-72.4115.8173-172.2-75.3000109.6L330 N334L330-H332 PolarHBondContact O-N 2.87Å; H332-N334 PolarHBondContact O-N 2.9Å
333L85.2Confident72.7Confident17 Ų17108.4 Ų108.49%0.08954%0.542CS..  trans-85.8109.9174.1-63.1173.1000108.2L33 I66 Y108 I331 I335L33-L333 HydrophobicContact CD2-CD1 4.05Å; I66-L333 HydrophobicContact CD1-CD1 3.9Å; I66-L333 HydrophobicContact CD1-CD2 4.03Å; I66-L333 HydrophobicContact CG2-CD2 4.16Å; Y108-L333 HydrophobicContact CE2-CB 4.31Å; Y108-L333 HydrophobicContact CE2-CD2 4.33Å; I331-L333 PolarHBondContact O-N 2.75Å; L333-I335 HydrophobicContact CB-CG1 4.37Å; L333-I335 PolarHBondContact O-N 2.97Å
334N87.7Confident74.5Confident106 Ų106102.8 Ų102.857%0.56752%0.519SS*.  trans-84103.9170.9-167.36.8000108.7Y108 H332Y108-N334 WeakPolarHBondContact CE2-O 3.17Å; Y108-N334 PolarHBondContact OH-O 2.77Å; H332-N334 PolarHBondContact O-N 2.9Å
335I88.7Confident76.2Confident66 Ų6698.8 Ų98.834%0.33850%0.5SS..  trans-99.8120.7-179.2-58.2171.2000107.6L33 D105 T106 Y108 L333L33-I335 HydrophobicContact CD2-CD1 3.86Å; D105-I335 HydrophobicContact CB-CG2 4.37Å; D105-I335 WeakPolarHBondContact OD2-CD1 3.49Å; T106-I335 WeakPolarHBondContact OG1-CG2 3.44Å; Y108-I335 HydrophobicContact CD2-CG1 4.31Å; Y108-I335 HydrophobicContact CE2-CG1 4.22Å; L333-I335 HydrophobicContact CB-CG1 4.37Å; L333-I335 PolarHBondContact O-N 2.97Å
336N87.6Confident78.1Confident61 Ų6196.4 Ų96.433%0.32649%0.487SS..  trans-67.5146.7178.8-64.2-33.4000111.7T106 T107 K338T106-N336 VanDerWaalsContact CB-O 3.27Å; T106-N336 WeakPolarHBondContact CB-O 3.25Å; T106-N336 WeakPolarHBondContact CG2-O 3.39Å; T106-N336 PolarHBondContact OG1-O 2.91Å; T107-N336 WeakPolarHBondContact OG1-CB 3.49Å; T107-N336 PolarHBondContact OG1-N 3Å; N336-K338 VanDerWaalsContact C-N 3.3Å; N336-K338 PolarHBondContact O-N 3.34Å
337D86.1Confident79.8Confident167 Ų16793.6 Ų93.689%0.89347%0.474SS*.SBendtrans-71.9-25.7175.7-61.4-46.7000113.4
338K85.4Confident81.5Confident170 Ų17088.9 Ų88.974%0.73944%0.441SS*.SBendtrans-116.6133.4-176.9-66.2-173.7179.9-177.80111.1N336 Q340N336-K338 VanDerWaalsContact C-N 3.3Å; N336-K338 PolarHBondContact O-N 3.34Å; K338-Q340 PolarHBondContact O-N 2.81Å
339E84Confident82.7Confident57 Ų5789 Ų8927%0.26644%0.44SS..  trans-68.3123.6170.1179.961.9-104.100109.8K69 T106 F341 E342K69-E339 IonicContact NZ-OE1 3.01Å; K69-E339 PolarHBondContact NZ-OE1 3.33Å; K69-E339 IonicContact NZ-OE2 3.06Å; K69-E339 PolarHBondContact NZ-OE2 2.88Å; T106-E339 WeakPolarHBondContact CA-OE2 3.35Å; T106-E339 HydrophobicContact CG2-CB 4.29Å; E339-F341 PolarHBondContact OE1-N 3.06Å; E339-E342 HydrophobicContact CG-CB 3.64Å; E339-E342 HydrophobicContact CG-CG 4.02Å
340Q81.9Confident83.6Confident120 Ų12084.5 Ų84.556%0.56142%0.42SS*.SBendtrans-97.3-16.6177.8-66.7-178.3-0.100112.1K338K338-Q340 PolarHBondContact O-N 2.81Å
341F83.2Confident84.2Confident43 Ų4384.8 Ų84.819%0.18942%0.42CS..  trans-13337.7-167.7-49.2-62.3000112.1K69 L70 I73 E339 N343 V344 F345K69-F341 HydrophobicContact CB-CD2 3.89Å; K69-F341 HydrophobicContact CB-CE2 4.29Å; K69-F341 HydrophobicContact CD-CD2 4.2Å; L70-F341 HydrophobicContact CB-CE2 4.28Å; L70-F341 HydrophobicContact CB-CZ 4.49Å; I73-F341 HydrophobicContact CD1-CB 4.05Å; I73-F341 HydrophobicContact CD1-CD1 3.26Å; I73-F341 HydrophobicContact CD1-CD2 3.73Å; I73-F341 HydrophobicContact CD1-CE1 3.5Å; I73-F341 VanDerWaalsContact CD1-CE1 3.5Å; I73-F341 HydrophobicContact CD1-CE2 3.94Å; I73-F341 HydrophobicContact CD1-CG 3.38Å; I73-F341 HydrophobicContact CD1-CZ 3.83Å; E339-F341 PolarHBondContact OE1-N 3.06Å; F341-N343 PolarHBondContact O-N 2.81Å; F341-V344 HydrophobicContact CB-CB 4.15Å; F341-V344 HydrophobicContact CB-CG2 3.99Å; F341-V344 PolarHBondContact O-N 3.33Å; F341-F345 HydrophobicContact CB-CD2 4.43Å; F341-F345 HydrophobicContact CB-CE2 4.43Å
342E71.7Confident84.6Confident136 Ų13687.2 Ų87.264%0.63643%0.432SS*.THydrogen-bonded Turntrans-45.6-45.9-165.1-161.2165.4-170.900113.2E339 D346E339-E342 HydrophobicContact CG-CB 3.64Å; E339-E342 HydrophobicContact CG-CG 4.02Å; E342-D346 VanDerWaalsContact O-OD1 3.1Å
343N83.5Confident84.7Confident126 Ų12682.9 Ų82.967%0.67441%0.414SS*.THydrogen-bonded Turntrans-100.5-1-174.1-52.9-27.4000114.5F341 F345 D346F341-N343 PolarHBondContact O-N 2.81Å; N343-F345 VanDerWaalsContact C-N 3.35Å; N343-D346 WeakPolarHBondContact CA-OD2 3.45Å
344V87Confident84.7Confident57 Ų5787.3 Ų87.335%0.34544%0.436SS..THydrogen-bonded Turntrans-75.7-29.1-174.1-179.50000111.6I73 I78 F341I73-V344 HydrophobicContact CD1-CG1 4.42Å; I73-V344 HydrophobicContact CG1-CG1 4.37Å; I78-V344 HydrophobicContact CD1-CG1 3.62Å; I78-V344 HydrophobicContact CG1-CG1 4.19Å; I78-V344 HydrophobicContact CG2-CG1 4.28Å; F341-V344 HydrophobicContact CB-CB 4.15Å; F341-V344 HydrophobicContact CB-CG2 3.99Å; F341-V344 PolarHBondContact O-N 3.33Å
345F87.7Confident84.5Confident0 Ų085.9 Ų85.90%043%0.426CS..THydrogen-bonded Turntrans-122.133-173-62.4-76.2000112.2K69 I72 I73 I78 K104 L109 F341 N343 E347 F348K69-F345 HydrophobicContact CB-CD2 4.37Å; K69-F345 HydrophobicContact CB-CE2 3.7Å; K69-F345 HydrophobicContact CB-CZ 4.29Å; K69-F345 HydrophobicContact CD-CD2 3.9Å; K69-F345 HydrophobicContact CD-CE2 4.08Å; K69-F345 HydrophobicContact CG-CD2 3.9Å; K69-F345 HydrophobicContact CG-CE2 3.7Å; K69-F345 HydrophobicContact CG-CZ 4.37Å; I72-F345 HydrophobicContact CB-CZ 4.14Å; I72-F345 HydrophobicContact CD1-CE1 4.4Å; I72-F345 HydrophobicContact CD1-CZ 4.47Å; I72-F345 HydrophobicContact CG2-CE1 3.87Å; I72-F345 HydrophobicContact CG2-CZ 3.86Å; I73-F345 HydrophobicContact CD1-CE2 3.86Å; I73-F345 HydrophobicContact CD1-CZ 4.29Å; I73-F345 HydrophobicContact CG1-CE2 4.12Å; I73-F345 HydrophobicContact CG1-CZ 4.04Å; I78-F345 HydrophobicContact CB-CE1 4.39Å; I78-F345 HydrophobicContact CG1-CE1 4.13Å; I78-F345 HydrophobicContact CG1-CZ 4.11Å; I78-F345 HydrophobicContact CG2-CD1 4.33Å; I78-F345 HydrophobicContact CG2-CE1 3.97Å; K104-F345 PolarHBondContact NZ-O 3.26Å; L109-F345 HydrophobicContact CD1-CD1 3.53Å; L109-F345 HydrophobicContact CD1-CE1 3.71Å; L109-F345 HydrophobicContact CD1-CG 4.07Å; L109-F345 HydrophobicContact CD1-CZ 4.39Å; L109-F345 HydrophobicContact CD2-CB 3.94Å; L109-F345 HydrophobicContact CD2-CD1 4.3Å; L109-F345 HydrophobicContact CD2-CD2 4.49Å; L109-F345 HydrophobicContact CD2-CG 4Å; L109-F345 HydrophobicContact CG-CD1 4.46Å; F341-F345 HydrophobicContact CB-CD2 4.43Å; F341-F345 HydrophobicContact CB-CE2 4.43Å; N343-F345 VanDerWaalsContact C-N 3.35Å; F345-E347 VanDerWaalsContact C-N 3.28Å; F345-E347 PolarHBondContact O-N 3.33Å; F345-F348 HydrophobicContact CB-CB 4.2Å; F345-F348 WeakPolarHBondContact O-CB 3.46Å; F345-F348 PolarHBondContact O-N 3.45Å
346D86.7Confident84.1Confident95 Ų9587.5 Ų87.551%0.50843%0.433SS..THydrogen-bonded Turntrans-69.2-26.7178.6-74.5-17.6000113.6K104 E342 N343 F348K104-D346 IonicContact NZ-OD1 3.71Å; K104-D346 PolarHBondContact NZ-OD1 2.84Å; E342-D346 VanDerWaalsContact O-OD1 3.1Å; N343-D346 WeakPolarHBondContact CA-OD2 3.45Å; D346-F348 PolarHBondContact O-N 2.7Å
347E84.1Confident83.8Confident104 Ų10489.7 Ų89.749%0.48644%0.442SS..THydrogen-bonded Turntrans-79.1-4.9173.7-60.9-171.1177.200113.4I82 K85 F345I82-E347 HydrophobicContact CD1-CB 4.3Å; I82-E347 HydrophobicContact CG2-CB 4.11Å; K85-E347 PolarHBondContact NZ-O 2.64Å; F345-E347 VanDerWaalsContact C-N 3.28Å; F345-E347 PolarHBondContact O-N 3.33Å
348F84.9Confident83.6Confident1 Ų182.6 Ų82.60%0.00440%0.401CS..  trans-90.80176.6-170.7-81.7000111.8V81 K85 T102 F103 L109 Y110 M111 F345 D346V81-F348 HydrophobicContact CG1-CD2 4.02Å; V81-F348 HydrophobicContact CG1-CE2 3.85Å; K85-F348 HydrophobicContact CB-CD2 4.44Å; K85-F348 HydrophobicContact CB-CE2 4.3Å; K85-F348 HydrophobicContact CD-CD2 4.02Å; K85-F348 HydrophobicContact CD-CE2 4.34Å; K85-F348 HydrophobicContact CD-CG 4.27Å; K85-F348 WeakPolarHBondContact CD-O 3.32Å; K85-F348 WeakPolarHBondContact CE-O 3.47Å; K85-F348 PolarHBondContact NZ-O 3.5Å; T102-F348 HydrophobicContact CG2-CE1 4.26Å; T102-F348 HydrophobicContact CG2-CZ 4.08Å; T102-F348 PolarHBondContact OG1-O 2.76Å; F103-F348 WeakPolarHBondContact O-CE1 3.17Å; L109-F348 HydrophobicContact CB-CD1 4.08Å; L109-F348 HydrophobicContact CB-CD2 4.38Å; L109-F348 HydrophobicContact CB-CE1 3.7Å; L109-F348 HydrophobicContact CB-CE2 4Å; L109-F348 HydrophobicContact CB-CG 4.41Å; L109-F348 HydrophobicContact CB-CZ 3.67Å; L109-F348 HydrophobicContact CD1-CD2 3.84Å; L109-F348 HydrophobicContact CD1-CE2 4.09Å; L109-F348 HydrophobicContact CD1-CG 4.06Å; L109-F348 HydrophobicContact CD2-CB 4.4Å; L109-F348 HydrophobicContact CD2-CD1 3.89Å; L109-F348 HydrophobicContact CD2-CE1 4.36Å; L109-F348 HydrophobicContact CD2-CG 4.03Å; L109-F348 HydrophobicContact CG-CD1 4.38Å; L109-F348 HydrophobicContact CG-CE1 4.48Å; L109-F348 HydrophobicContact CG-CG 4.4Å; Y110-F348 WeakPolarHBondContact O-CE1 3.25Å; M111-F348 HydrophobicContact CE-CE2 3.56Å; M111-F348 HydrophobicContact CE-CZ 4.04Å; M111-F348 HydrophobicContact CG-CE2 4.32Å; M111-F348 HydrophobicContact CG-CZ 3.81Å; F345-F348 HydrophobicContact CB-CB 4.2Å; F345-F348 WeakPolarHBondContact O-CB 3.46Å; F345-F348 PolarHBondContact O-N 3.45Å; D346-F348 PolarHBondContact O-N 2.7Å

Retrieved 348 of 348 residues in 213 ms (Link to these results)

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