A0A3Q0KP20_SCHMA Loading...

Putative 22.6kDa tegument-associated antigen

AlphaFold DB , UniProt , Accession A0A3Q0KP20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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
1M81.2Confident90.8Very high120 Ų12046.8 Ų46.859%0.59122%0.215SC*.  0-56.50-169.2177.2-77.800111K3 F4 I5 F62 P160M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.47Å; M1-K3 VanDerWaalsContact O-N 3.17Å; M1-F4 WeakPolarHBondContact O-CB 3.35Å; M1-F4 PolarHBondContact O-N 3.33Å; M1-I5 HydrophobicContact CG-CD1 4.24Å; M1-I5 PolarHBondContact O-N 3.04Å; M1-F62 HydrophobicContact CE-CD1 4.27Å; M1-P160 HydrophobicContact SD-CG 4.16Å
2E90.4Very high90.9Very high53 Ų5342.9 Ų42.925%0.24820%0.198CC..Hα-helixtrans-45.3-48.3179.3-73-176.5159.300114.4F4 I5 E6 S97 H158 P160 F161E2-F4 PolarHBondContact O-N 2.97Å; E2-F4 VanDerWaalsContact O-N 3.14Å; E2-I5 CarbonylContact O-C 3.53Å; E2-I5 WeakPolarHBondContact O-CA 3.35Å; E2-I5 WeakPolarHBondContact O-CB 3.3Å; E2-I5 PolarHBondContact O-N 3.36Å; E2-E6 WeakPolarHBondContact O-CG 3.17Å; E2-E6 PolarHBondContact O-N 3.05Å; E2-S97 VanDerWaalsContact OE1-CB 3.26Å; E2-S97 WeakPolarHBondContact OE1-CB 3.43Å; E2-S97 PolarHBondContact OE1-OG 3.25Å; E2-H158 IonicContact OE1-CD2 2.86Å; E2-H158 IonicContact OE1-NE2 2.94Å; E2-P160 HydrophobicContact CG-CB 3.82Å; E2-P160 HydrophobicContact CG-CG 4.39Å; E2-P160 WeakPolarHBondContact OE1-CA 3.21Å; E2-F161 HydrophobicContact CB-CE1 3.95Å; E2-F161 HydrophobicContact CB-CZ 4.37Å; E2-F161 HydrophobicContact CG-CD1 4.18Å; E2-F161 HydrophobicContact CG-CE1 4.02Å; E2-F161 PolarHBondContact OE1-N 3.28Å
3K88.9Confident90.6Very high120 Ų12043.2 Ų43.252%0.52221%0.208SC..Hα-helixtrans-51.5-39.9176.8-172.7174.8-177.2-1790113.2M1 E6 I7 M35M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 3.47Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-E6 PolarHBondContact O-N 2.94Å; K3-I7 HydrophobicContact CG-CD1 4.17Å; K3-I7 WeakPolarHBondContact O-CD1 3.36Å; K3-I7 WeakPolarHBondContact O-CG1 3.41Å; K3-I7 PolarHBondContact O-N 3.24Å; K3-M35 HydrophobicContact CD-CE 3.95Å; K3-M35 HydrophobicContact CG-CE 4.47Å
4F89.9Confident90.2Very high19 Ų1947.6 Ų47.68%0.08323%0.233CC..Hα-helixtrans-70.6-36.1177.4-64.8-46.7000112.5M1 E2 I7 F8 M35 M39 W43M1-F4 WeakPolarHBondContact O-CB 3.35Å; M1-F4 PolarHBondContact O-N 3.33Å; E2-F4 PolarHBondContact O-N 2.97Å; E2-F4 VanDerWaalsContact O-N 3.14Å; F4-I7 HydrophobicContact CD1-CD1 4.48Å; F4-I7 PolarHBondContact O-N 2.85Å; F4-F8 PolarHBondContact O-N 3.4Å; F4-M35 HydrophobicContact CE1-CE 4Å; F4-M39 HydrophobicContact CE1-CE 4.45Å; F4-M39 HydrophobicContact CE2-CE 3.59Å; F4-M39 HydrophobicContact CE2-SD 4.5Å; F4-M39 HydrophobicContact CZ-CE 3.42Å; F4-M39 VanDerWaalsContact CZ-CE 3.42Å; F4-M39 HydrophobicContact CZ-CG 3.93Å; F4-M39 HydrophobicContact CZ-SD 3.75Å; F4-W43 HydrophobicContact CB-CD2 4.35Å; F4-W43 HydrophobicContact CB-CH2 4.47Å; F4-W43 HydrophobicContact CB-CZ2 3.9Å; F4-W43 AromaticContact CD1-CD2 3.74Å; F4-W43 HydrophobicContact CD1-CD2 3.74Å; F4-W43 AromaticContact CD1-CE2 3.99Å; F4-W43 AromaticContact CD1-CE3 3.8Å; F4-W43 HydrophobicContact CD1-CE3 3.8Å; F4-W43 HydrophobicContact CD1-CG 4.09Å; F4-W43 HydrophobicContact CD1-CH2 4.27Å; F4-W43 HydrophobicContact CD1-CZ2 4.32Å; F4-W43 HydrophobicContact CD1-CZ3 4Å; F4-W43 HydrophobicContact CD2-CB 4.47Å; F4-W43 AromaticContact CD2-CD1 3.73Å; F4-W43 HydrophobicContact CD2-CD2 4.4Å; F4-W43 AromaticContact CD2-CG 3.99Å; F4-W43 HydrophobicContact CD2-CG 3.99Å; F4-W43 HydrophobicContact CE1-CB 4.27Å; F4-W43 HydrophobicContact CE1-CD2 4.03Å; F4-W43 AromaticContact CE1-CE3 3.95Å; F4-W43 HydrophobicContact CE1-CE3 3.95Å; F4-W43 HydrophobicContact CE1-CG 4.13Å; F4-W43 HydrophobicContact CE1-CZ3 4.44Å; F4-W43 HydrophobicContact CE2-CB 4Å; F4-W43 HydrophobicContact CE2-CG 4.01Å; F4-W43 AromaticContact CG-CD1 3.9Å; F4-W43 AromaticContact CG-CD2 3.94Å; F4-W43 HydrophobicContact CG-CD2 3.94Å; F4-W43 AromaticContact CG-CE2 3.86Å; F4-W43 HydrophobicContact CG-CE3 4.46Å; F4-W43 HydrophobicContact CG-CG 4.03Å; F4-W43 HydrophobicContact CG-CZ2 4.34Å; F4-W43 AromaticContact CG-NE1 3.87Å; F4-W43 HydrophobicContact CZ-CB 3.89Å; F4-W43 HydrophobicContact CZ-CD2 4.46Å; F4-W43 HydrophobicContact CZ-CG 4.07Å
5I93.9Very high89.8Confident0 Ų047.3 Ų47.30%023%0.233CC..Hα-helixtrans-65.4-45.1175.2-49.6171.1000109.3M1 E2 I7 F8 L9 F58 L64 M69 P160 F161M1-I5 HydrophobicContact CG-CD1 4.24Å; M1-I5 PolarHBondContact O-N 3.04Å; E2-I5 CarbonylContact O-C 3.53Å; E2-I5 WeakPolarHBondContact O-CA 3.35Å; E2-I5 WeakPolarHBondContact O-CB 3.3Å; E2-I5 PolarHBondContact O-N 3.36Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.23Å; I5-F8 WeakPolarHBondContact O-CB 3.46Å; I5-F8 PolarHBondContact O-N 3.39Å; I5-L9 HydrophobicContact CG2-CD1 4.23Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.36Å; I5-L9 PolarHBondContact O-N 3.31Å; I5-F58 HydrophobicContact CB-CE1 4.26Å; I5-F58 HydrophobicContact CB-CZ 4.31Å; I5-F58 HydrophobicContact CG1-CE1 3.96Å; I5-F58 HydrophobicContact CG1-CZ 3.96Å; I5-F58 HydrophobicContact CG2-CE1 4.09Å; I5-L64 HydrophobicContact CD1-CD1 3.66Å; I5-L64 HydrophobicContact CD1-CD2 3.88Å; I5-L64 HydrophobicContact CD1-CG 4.42Å; I5-L64 HydrophobicContact CG1-CD1 3.93Å; I5-L64 HydrophobicContact CG2-CD1 4.47Å; I5-M69 HydrophobicContact CG2-CE 3.35Å; I5-M69 HydrophobicContact CG2-SD 4.28Å; I5-P160 HydrophobicContact CD1-CB 3.62Å; I5-P160 HydrophobicContact CD1-CG 3.85Å; I5-F161 HydrophobicContact CB-CE2 3.85Å; I5-F161 HydrophobicContact CB-CZ 3.84Å; I5-F161 HydrophobicContact CD1-CE2 4.09Å; I5-F161 HydrophobicContact CD1-CZ 4.5Å; I5-F161 HydrophobicContact CG2-CE2 3.54Å; I5-F161 HydrophobicContact CG2-CZ 3.96Å
6E92.2Very high89.3Confident85 Ų8554.1 Ų54.140%0.39727%0.27SS..Hα-helixtrans-59.9-41.5176.2-66.1-173.814500112.5E2 K3 L9 K10 R76 F161E2-E6 WeakPolarHBondContact O-CG 3.17Å; E2-E6 PolarHBondContact O-N 3.05Å; K3-E6 PolarHBondContact O-N 2.94Å; E6-L9 PolarHBondContact O-N 3.09Å; E6-K10 VanDerWaalsContact O-CB 3.28Å; E6-K10 WeakPolarHBondContact O-CB 3.46Å; E6-K10 PolarHBondContact O-N 3.46Å; E6-R76 IonicContact OE1-CZ 3.96Å; E6-R76 IonicContact OE1-NH1 3.29Å; E6-R76 PolarHBondContact OE1-NH1 3.49Å; E6-F161 HydrophobicContact CG-CE1 3.72Å; E6-F161 HydrophobicContact CG-CZ 3.69Å
7I92.5Very high89Confident6 Ų654.9 Ų54.93%0.03128%0.276CS..Hα-helixtrans-61.6-48.7174.5-68.3166.1000110.3K3 F4 I5 L9 K10 L11 Y29 M35 W43K3-I7 HydrophobicContact CG-CD1 4.17Å; K3-I7 WeakPolarHBondContact O-CD1 3.36Å; K3-I7 WeakPolarHBondContact O-CG1 3.41Å; K3-I7 PolarHBondContact O-N 3.24Å; F4-I7 HydrophobicContact CD1-CD1 4.48Å; F4-I7 PolarHBondContact O-N 2.85Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 3.23Å; I7-L9 PolarHBondContact O-N 3.26Å; I7-K10 PolarHBondContact O-N 2.94Å; I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 HydrophobicContact CG2-CG 4.33Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 3.26Å; I7-Y29 HydrophobicContact CB-CE1 4.44Å; I7-Y29 HydrophobicContact CD1-CD1 4.37Å; I7-Y29 HydrophobicContact CD1-CE1 4.12Å; I7-Y29 HydrophobicContact CG1-CD1 4.15Å; I7-Y29 HydrophobicContact CG1-CE1 3.68Å; I7-Y29 HydrophobicContact CG2-CD1 3.77Å; I7-Y29 HydrophobicContact CG2-CE1 4.08Å; I7-Y29 HydrophobicContact CG2-CG 4.43Å; I7-M35 HydrophobicContact CD1-CE 3.9Å; I7-M35 HydrophobicContact CD1-SD 3.57Å; I7-M35 VanDerWaalsContact CD1-SD 3.57Å; I7-W43 HydrophobicContact CG2-CH2 4.42Å
8F93.6Very high88.9Confident0 Ų057 Ų570%029%0.288CS..Hα-helixtrans-56.2-51.8178-172.2-72.2000110.9F4 I5 K10 L11 D12 I21 I53 F55 F58F4-F8 PolarHBondContact O-N 3.4Å; I5-F8 WeakPolarHBondContact O-CB 3.46Å; I5-F8 PolarHBondContact O-N 3.39Å; F8-K10 VanDerWaalsContact C-N 3.31Å; F8-K10 PolarHBondContact O-N 3.48Å; F8-L11 PolarHBondContact O-N 3.13Å; F8-D12 HydrophobicContact CD1-CB 4.44Å; F8-D12 HydrophobicContact CE1-CB 4.15Å; F8-D12 WeakPolarHBondContact O-CB 3.41Å; F8-D12 PolarHBondContact O-N 2.89Å; F8-I21 HydrophobicContact CB-CD1 4.46Å; F8-I21 HydrophobicContact CD2-CD1 3.25Å; F8-I21 HydrophobicContact CD2-CG1 3.85Å; F8-I21 HydrophobicContact CD2-CG2 4.48Å; F8-I21 HydrophobicContact CE1-CG2 4.34Å; F8-I21 HydrophobicContact CE2-CB 4.47Å; F8-I21 HydrophobicContact CE2-CD1 3.5Å; F8-I21 HydrophobicContact CE2-CG1 3.52Å; F8-I21 HydrophobicContact CE2-CG2 4.25Å; F8-I21 HydrophobicContact CG-CD1 4.02Å; F8-I21 HydrophobicContact CZ-CD1 4.41Å; F8-I21 HydrophobicContact CZ-CG1 4.14Å; F8-I21 HydrophobicContact CZ-CG2 4.14Å; F8-I53 HydrophobicContact CE2-CB 4.32Å; F8-I53 HydrophobicContact CE2-CG2 3.93Å; F8-F55 AromaticContact CD1-CD2 3.73Å; F8-F55 HydrophobicContact CD1-CD2 3.73Å; F8-F55 HydrophobicContact CD1-CE2 4.24Å; F8-F55 HydrophobicContact CE1-CB 3.75Å; F8-F55 AromaticContact CE1-CD2 3.4Å; F8-F55 HydrophobicContact CE1-CD2 3.4Å; F8-F55 HydrophobicContact CE1-CE2 4.31Å; F8-F55 AromaticContact CE1-CG 3.94Å; F8-F55 HydrophobicContact CE1-CG 3.94Å; F8-F55 VanDerWaalsContact CZ-CA 3.46Å; F8-F55 HydrophobicContact CZ-CB 3.95Å; F8-F55 HydrophobicContact CZ-CD2 4.15Å; F8-F58 HydrophobicContact CB-CD2 4.39Å; F8-F58 HydrophobicContact CB-CE1 4.32Å; F8-F58 HydrophobicContact CB-CE2 4.09Å; F8-F58 HydrophobicContact CB-CZ 4.06Å; F8-F58 HydrophobicContact CD2-CB 3.93Å; F8-F58 HydrophobicContact CD2-CD1 4.19Å; F8-F58 AromaticContact CD2-CD2 3.36Å; F8-F58 HydrophobicContact CD2-CD2 3.36Å; F8-F58 AromaticContact CD2-CE2 3.9Å; F8-F58 HydrophobicContact CD2-CE2 3.9Å; F8-F58 AromaticContact CD2-CG 3.54Å; F8-F58 HydrophobicContact CD2-CG 3.54Å; F8-F58 HydrophobicContact CE2-CB 3.67Å; F8-F58 AromaticContact CE2-CD2 3.94Å; F8-F58 HydrophobicContact CE2-CD2 3.94Å; F8-F58 AromaticContact CE2-CG 3.85Å; F8-F58 HydrophobicContact CE2-CG 3.85Å; F8-F58 HydrophobicContact CG-CD1 4.21Å; F8-F58 HydrophobicContact CG-CD2 4.05Å; F8-F58 HydrophobicContact CG-CE1 4.42Å; F8-F58 HydrophobicContact CG-CE2 4.26Å; F8-F58 HydrophobicContact CG-CG 4.03Å; F8-F58 HydrophobicContact CG-CZ 4.44Å; F8-F58 HydrophobicContact CZ-CB 4.2Å
9L92.8Very high88.9Confident9 Ų954.8 Ų54.85%0.04728%0.281CS..Hα-helixtrans-59.8-42.7-178.4-66.6-177.7000111.4I5 E6 I7 D12 S13 F55 M69 K73I5-L9 HydrophobicContact CG2-CD1 4.23Å; I5-L9 HydrophobicContact CG2-CG 4.27Å; I5-L9 VanDerWaalsContact O-CG 3.28Å; I5-L9 WeakPolarHBondContact O-CG 3.36Å; I5-L9 PolarHBondContact O-N 3.31Å; E6-L9 PolarHBondContact O-N 3.09Å; I7-L9 PolarHBondContact O-N 3.26Å; L9-D12 PolarHBondContact O-N 3.37Å; L9-S13 PolarHBondContact O-N 3.33Å; L9-S13 PolarHBondContact O-OG 3.01Å; L9-S13 VanDerWaalsContact O-OG 3.11Å; L9-F55 HydrophobicContact CD2-CE2 3.65Å; L9-F55 HydrophobicContact CD2-CZ 3.79Å; L9-M69 HydrophobicContact CD1-CE 4.11Å; L9-M69 HydrophobicContact CD2-CE 4.38Å; L9-K73 HydrophobicContact CD2-CB 3.84Å; L9-K73 HydrophobicContact CD2-CD 4.06Å; L9-K73 HydrophobicContact CD2-CG 3.92Å
10K90.9Very high89.1Confident99 Ų9957 Ų5743%0.4329%0.289SS..Hα-helixtrans-63.7-44.8178.1-176.8177179-179.10112.5E6 I7 F8 S13 N14 Y29E6-K10 VanDerWaalsContact O-CB 3.28Å; E6-K10 WeakPolarHBondContact O-CB 3.46Å; E6-K10 PolarHBondContact O-N 3.46Å; I7-K10 PolarHBondContact O-N 2.94Å; F8-K10 VanDerWaalsContact C-N 3.31Å; F8-K10 PolarHBondContact O-N 3.48Å; K10-S13 PolarHBondContact O-N 3.49Å; K10-N14 VanDerWaalsContact O-CG 3.27Å; K10-N14 PolarHBondContact O-N 2.86Å; K10-N14 VanDerWaalsContact O-N 3.08Å; K10-N14 PolarHBondContact O-ND2 3.45Å; K10-Y29 HydrophobicContact CD-CE2 3.99Å; K10-Y29 PolarHBondContact NZ-OH 2.87Å
11L92.5Very high89.3Confident4 Ų454.3 Ų54.32%0.02128%0.275CS..Hα-helixtrans-66.9-41.2178.7-67.1179.9000111.6I7 F8 S13 N14 N15 I21 E25 L26 Y29I7-L11 HydrophobicContact CG2-CD1 3.94Å; I7-L11 HydrophobicContact CG2-CG 4.33Å; I7-L11 WeakPolarHBondContact O-CG 3.49Å; I7-L11 PolarHBondContact O-N 3.26Å; F8-L11 PolarHBondContact O-N 3.13Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-S13 PolarHBondContact O-N 2.93Å; L11-N14 WeakPolarHBondContact O-CB 3.49Å; L11-N14 PolarHBondContact O-N 3.32Å; L11-N14 VanDerWaalsContact O-N 3.16Å; L11-N15 PolarHBondContact O-N 3.29Å; L11-N15 PolarHBondContact O-ND2 3.42Å; L11-I21 HydrophobicContact CB-CB 4.37Å; L11-I21 HydrophobicContact CB-CG2 3.67Å; L11-I21 HydrophobicContact CD1-CD1 4.4Å; L11-E25 HydrophobicContact CD1-CG 4.33Å; L11-E25 HydrophobicContact CD2-CG 3.91Å; L11-L26 HydrophobicContact CD1-CB 3.92Å; L11-Y29 HydrophobicContact CD2-CD2 3.88Å; L11-Y29 HydrophobicContact CD2-CG 4.17Å
12D91.8Very high89.9Confident0 Ų053.4 Ų53.40%027%0.268CS..Hα-helixtrans-63.5-40.2176-171.219.8000111.8F8 L9 N14 N15 N17 N18 G19 I21 K73F8-D12 HydrophobicContact CD1-CB 4.44Å; F8-D12 HydrophobicContact CE1-CB 4.15Å; F8-D12 WeakPolarHBondContact O-CB 3.41Å; F8-D12 PolarHBondContact O-N 2.89Å; L9-D12 PolarHBondContact O-N 3.37Å; D12-N14 VanDerWaalsContact C-N 3.32Å; D12-N14 PolarHBondContact O-N 3.45Å; D12-N15 CarbonylContact O-C 3.6Å; D12-N15 WeakPolarHBondContact O-CA 3.13Å; D12-N15 PolarHBondContact O-N 2.74Å; D12-N17 WeakPolarHBondContact O-CA 3.28Å; D12-N17 PolarHBondContact O-N 2.99Å; D12-N18 PolarHBondContact OD1-N 2.76Å; D12-G19 WeakPolarHBondContact OD1-CA 3.5Å; D12-G19 PolarHBondContact OD1-N 3.01Å; D12-G19 WeakPolarHBondContact OD2-CA 3.15Å; D12-I21 HydrophobicContact CB-CG2 4.12Å; D12-K73 VanDerWaalsContact CG-NZ 3.33Å; D12-K73 IonicContact OD1-NZ 3.57Å; D12-K73 IonicContact OD2-NZ 3.86Å; D12-K73 PolarHBondContact OD2-NZ 3.38Å
13S87.4Confident89.9Confident47 Ų4752.2 Ų52.233%0.32926%0.262SS..Hα-helixtrans-60.6-38.4171.7-640000113.1L9 K10 L11 N15 N16 N17L9-S13 PolarHBondContact O-N 3.33Å; L9-S13 PolarHBondContact O-OG 3.01Å; L9-S13 VanDerWaalsContact O-OG 3.11Å; K10-S13 PolarHBondContact O-N 3.49Å; L11-S13 VanDerWaalsContact C-N 3.35Å; L11-S13 PolarHBondContact O-N 2.93Å; S13-N15 PolarHBondContact O-N 3.01Å; S13-N16 PolarHBondContact O-N 3.13Å; S13-N17 VanDerWaalsContact CA-OD1 3.23Å; S13-N17 WeakPolarHBondContact CA-OD1 2.88Å; S13-N17 PolarHBondContact N-OD1 2.87Å; S13-N17 PolarHBondContact OG-OD1 3.37Å
14N84.8Confident90Very high104 Ų10449.9 Ų49.956%0.55626%0.258SS*.Hα-helixtrans-67.4-25.1173.5-65.1-22.9000112.5K10 L11 D12 N16K10-N14 VanDerWaalsContact O-CG 3.27Å; K10-N14 PolarHBondContact O-N 2.86Å; K10-N14 VanDerWaalsContact O-N 3.08Å; K10-N14 PolarHBondContact O-ND2 3.45Å; L11-N14 WeakPolarHBondContact O-CB 3.49Å; L11-N14 PolarHBondContact O-N 3.32Å; L11-N14 VanDerWaalsContact O-N 3.16Å; D12-N14 VanDerWaalsContact C-N 3.32Å; D12-N14 PolarHBondContact O-N 3.45Å; N14-N16 VanDerWaalsContact C-N 3.29Å; N14-N16 PolarHBondContact O-N 3.26Å
15N84.2Confident90.1Very high44 Ų4450.8 Ų50.824%0.23526%0.262CS..THydrogen-bonded Turntrans-92.129.3179.1-72.9-32.9000113.5L11 D12 S13 N17 N18 F20 E25L11-N15 PolarHBondContact O-N 3.29Å; L11-N15 PolarHBondContact O-ND2 3.42Å; D12-N15 CarbonylContact O-C 3.6Å; D12-N15 WeakPolarHBondContact O-CA 3.13Å; D12-N15 PolarHBondContact O-N 2.74Å; S13-N15 PolarHBondContact O-N 3.01Å; N15-N17 PolarHBondContact O-N 2.67Å; N15-N18 PolarHBondContact O-N 2.96Å; N15-N18 PolarHBondContact O-ND2 3.34Å; N15-N18 VanDerWaalsContact O-ND2 3.16Å; N15-F20 PolarHBondContact ND2-O 2.83Å; N15-E25 PolarHBondContact ND2-OE1 3.38Å; N15-E25 PolarHBondContact ND2-OE2 2.88Å
16N81.7Confident90Very high156 Ų15650.8 Ų50.883%0.83426%0.262SS*.THydrogen-bonded Turntrans58.229.3-177.7-55.7-49000113.6S13 N14 N18S13-N16 PolarHBondContact O-N 3.13Å; N14-N16 VanDerWaalsContact C-N 3.29Å; N14-N16 PolarHBondContact O-N 3.26Å; N16-N18 PolarHBondContact O-N 3.4Å
17N84Confident90Very high68 Ų6849.2 Ų49.236%0.36426%0.256SS..THydrogen-bonded Turntrans56.435.3178.6-70.9-44000114.1D12 S13 N15 G19 K73 E77D12-N17 WeakPolarHBondContact O-CA 3.28Å; D12-N17 PolarHBondContact O-N 2.99Å; S13-N17 VanDerWaalsContact CA-OD1 3.23Å; S13-N17 WeakPolarHBondContact CA-OD1 2.88Å; S13-N17 PolarHBondContact N-OD1 2.87Å; S13-N17 PolarHBondContact OG-OD1 3.37Å; N15-N17 PolarHBondContact O-N 2.67Å; N17-G19 PolarHBondContact O-N 3.39Å; N17-K73 WeakPolarHBondContact OD1-CE 3.39Å; N17-K73 PolarHBondContact OD1-NZ 3.39Å; N17-E77 PolarHBondContact ND2-OE1 3.45Å; N17-E77 PolarHBondContact OD1-OE1 2.81Å
18N87Confident90Very high92 Ų9254.9 Ų54.949%0.49228%0.283SS..  trans-72.4-8.6-179.369.723.7000113.2D12 N15 N16 F20D12-N18 PolarHBondContact OD1-N 2.76Å; N15-N18 PolarHBondContact O-N 2.96Å; N15-N18 PolarHBondContact O-ND2 3.34Å; N15-N18 VanDerWaalsContact O-ND2 3.16Å; N16-N18 PolarHBondContact O-N 3.4Å; N18-F20 WeakPolarHBondContact O-CD2 3.49Å; N18-F20 WeakPolarHBondContact O-CE2 3.48Å; N18-F20 WeakPolarHBondContact OD1-CA 3.41Å; N18-F20 WeakPolarHBondContact OD1-CB 3.36Å; N18-F20 PolarHBondContact OD1-N 3.37Å; N18-F20 PolarHBondContact OD1-O 3.45Å; N18-F20 VanDerWaalsContact OD1-O 3.07Å
19G90.1Very high90Very high16 Ų1656.9 Ų56.917%0.16529%0.29CS..SBendtrans85.613.9179.200000113.7D12 N17 S54 F55D12-G19 WeakPolarHBondContact OD1-CA 3.5Å; D12-G19 PolarHBondContact OD1-N 3.01Å; D12-G19 WeakPolarHBondContact OD2-CA 3.15Å; N17-G19 PolarHBondContact O-N 3.39Å; G19-S54 CarbonylContact O-C 3.42Å; G19-S54 VanDerWaalsContact O-CA 3.32Å; G19-S54 WeakPolarHBondContact O-CA 3.49Å; G19-F55 PolarHBondContact O-N 3.16Å
20F93.1Very high90Very high98 Ų9856.4 Ų56.443%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-137.4140.8-177.3-60.3-93.1000111.7N15 N18 I53 S54N15-F20 PolarHBondContact ND2-O 2.83Å; N18-F20 WeakPolarHBondContact O-CD2 3.49Å; N18-F20 WeakPolarHBondContact O-CE2 3.48Å; N18-F20 WeakPolarHBondContact OD1-CA 3.41Å; N18-F20 WeakPolarHBondContact OD1-CB 3.36Å; N18-F20 PolarHBondContact OD1-N 3.37Å; N18-F20 PolarHBondContact OD1-O 3.45Å; N18-F20 VanDerWaalsContact OD1-O 3.07Å; F20-I53 WeakPolarHBondContact CA-O 3.28Å; F20-S54 VanDerWaalsContact CE1-CB 3.45Å
21I93.4Very high90.2Very high1 Ų157 Ų571%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-121148.1167.967.8172.3000109.7F8 L11 D12 L26 K52 I53F8-I21 HydrophobicContact CB-CD1 4.46Å; F8-I21 HydrophobicContact CD2-CD1 3.25Å; F8-I21 HydrophobicContact CD2-CG1 3.85Å; F8-I21 HydrophobicContact CD2-CG2 4.48Å; F8-I21 HydrophobicContact CE1-CG2 4.34Å; F8-I21 HydrophobicContact CE2-CB 4.47Å; F8-I21 HydrophobicContact CE2-CD1 3.5Å; F8-I21 HydrophobicContact CE2-CG1 3.52Å; F8-I21 HydrophobicContact CE2-CG2 4.25Å; F8-I21 HydrophobicContact CG-CD1 4.02Å; F8-I21 HydrophobicContact CZ-CD1 4.41Å; F8-I21 HydrophobicContact CZ-CG1 4.14Å; F8-I21 HydrophobicContact CZ-CG2 4.14Å; L11-I21 HydrophobicContact CB-CB 4.37Å; L11-I21 HydrophobicContact CB-CG2 3.67Å; L11-I21 HydrophobicContact CD1-CD1 4.4Å; D12-I21 HydrophobicContact CB-CG2 4.12Å; I21-L26 HydrophobicContact CD1-CB 4.36Å; I21-L26 HydrophobicContact CD1-CD1 3.62Å; I21-K52 CarbonylContact O-C 3.57Å; I21-K52 VanDerWaalsContact O-CA 3.31Å; I21-K52 WeakPolarHBondContact O-CA 3.43Å; I21-I53 HydrophobicContact CG1-CB 4.12Å; I21-I53 PolarHBondContact N-O 3.28Å; I21-I53 PolarHBondContact O-N 2.96Å
22K92.6Very high90.2Very high101 Ų10164.5 Ų64.544%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-85.1143.2171.1-67.8177.8-177.9175.50109.4T24 E25 L26 K52K22-T24 PolarHBondContact O-N 3.24Å; K22-E25 HydrophobicContact CB-CB 4.11Å; K22-E25 WeakPolarHBondContact O-CB 3.46Å; K22-E25 PolarHBondContact O-N 3.06Å; K22-L26 PolarHBondContact O-N 2.92Å; K22-L26 VanDerWaalsContact O-N 3.13Å; K22-K52 HydrophobicContact CG-CG 4.18Å
23K90.2Very high90.2Very high27 Ų2769 Ų6912%0.11735%0.345CS..Hα-helixtrans-58-40.1172.3-78.1-171.2176.7163.70112.7E25 L26 I27 L44 F47 N48 L50 D51 I53K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.12Å; K23-L26 WeakPolarHBondContact O-CB 3.31Å; K23-L26 PolarHBondContact O-N 3.05Å; K23-I27 VanDerWaalsContact O-CG1 3.28Å; K23-I27 WeakPolarHBondContact O-CG1 3.39Å; K23-I27 PolarHBondContact O-N 3.18Å; K23-L44 HydrophobicContact CG-CD2 4.19Å; K23-F47 WeakPolarHBondContact CE-O 3.28Å; K23-F47 VanDerWaalsContact NZ-C 3.34Å; K23-F47 PolarHBondContact NZ-O 3.16Å; K23-N48 VanDerWaalsContact NZ-C 3.28Å; K23-N48 VanDerWaalsContact NZ-CA 3.28Å; K23-N48 PolarHBondContact NZ-O 2.92Å; K23-L50 WeakPolarHBondContact CD-O 3.44Å; K23-L50 WeakPolarHBondContact CE-O 3.45Å; K23-L50 PolarHBondContact NZ-O 2.85Å; K23-D51 PolarHBondContact N-O 3.46Å; K23-I53 HydrophobicContact CG-CD1 4.06Å; K23-I53 HydrophobicContact CG-CG1 4.35Å
24T91.8Very high90.5Very high71 Ų7173.9 Ų73.944%0.43637%0.368SS..Hα-helixtrans-62.1-40.6179.547.90000112.1K22 I27 Q28K22-T24 PolarHBondContact O-N 3.24Å; T24-I27 PolarHBondContact O-N 3.21Å; T24-Q28 WeakPolarHBondContact O-CB 3.41Å; T24-Q28 WeakPolarHBondContact O-CG 3.46Å; T24-Q28 PolarHBondContact O-N 3.39Å
25E91.7Very high90.8Very high38 Ų3869.9 Ų69.918%0.17835%0.346CS..Hα-helixtrans-64.6-42.4176-178.4-173.8-173.600111.7L11 N15 K22 K23 Q28 Y29L11-E25 HydrophobicContact CD1-CG 4.33Å; L11-E25 HydrophobicContact CD2-CG 3.91Å; N15-E25 PolarHBondContact ND2-OE1 3.38Å; N15-E25 PolarHBondContact ND2-OE2 2.88Å; K22-E25 HydrophobicContact CB-CB 4.11Å; K22-E25 WeakPolarHBondContact O-CB 3.46Å; K22-E25 PolarHBondContact O-N 3.06Å; K23-E25 VanDerWaalsContact C-N 3.32Å; K23-E25 PolarHBondContact O-N 3.12Å; E25-Q28 PolarHBondContact O-N 2.85Å; E25-Y29 WeakPolarHBondContact O-CB 3.26Å; E25-Y29 PolarHBondContact O-N 2.91Å
26L91.4Very high91.2Very high0 Ų072.7 Ų72.70%036%0.361CS..Hα-helixtrans-63.5-45.8176.3172.5169.5000111.8L11 I21 K22 K23 Y29 C30 V40 W43 L44 I53L11-L26 HydrophobicContact CD1-CB 3.92Å; I21-L26 HydrophobicContact CD1-CB 4.36Å; I21-L26 HydrophobicContact CD1-CD1 3.62Å; K22-L26 PolarHBondContact O-N 2.92Å; K22-L26 VanDerWaalsContact O-N 3.13Å; K23-L26 WeakPolarHBondContact O-CB 3.31Å; K23-L26 PolarHBondContact O-N 3.05Å; L26-Y29 WeakPolarHBondContact O-CB 3.38Å; L26-Y29 PolarHBondContact O-N 3.3Å; L26-C30 WeakPolarHBondContact O-CB 3.4Å; L26-C30 PolarHBondContact O-N 2.94Å; L26-C30 PolarHBondContact O-SG 3.19Å; L26-C30 VanDerWaalsContact O-SG 3.37Å; L26-V40 HydrophobicContact CD2-CG1 3.9Å; L26-W43 HydrophobicContact CD1-CE3 4.1Å; L26-W43 HydrophobicContact CD1-CH2 3.02Å; L26-W43 HydrophobicContact CD1-CZ2 3.77Å; L26-W43 HydrophobicContact CD1-CZ3 3.23Å; L26-W43 HydrophobicContact CD2-CE3 3.83Å; L26-W43 HydrophobicContact CD2-CH2 3.94Å; L26-W43 HydrophobicContact CD2-CZ3 3.19Å; L26-W43 HydrophobicContact CG-CE3 4.26Å; L26-W43 HydrophobicContact CG-CH2 3.41Å; L26-W43 VanDerWaalsContact CG-CH2 3.41Å; L26-W43 HydrophobicContact CG-CZ3 3.23Å; L26-L44 HydrophobicContact CD1-CD2 3.67Å; L26-L44 HydrophobicContact CD2-CD1 3.79Å; L26-L44 HydrophobicContact CD2-CD2 3.89Å; L26-L44 HydrophobicContact CD2-CG 4.03Å; L26-L44 HydrophobicContact CG-CD2 4.43Å; L26-I53 HydrophobicContact CD1-CD1 4.34Å
27I92.1Very high91.8Very high52 Ų5267.8 Ų67.827%0.26733%0.334SS..Hα-helixtrans-61.2-49176.8-70.2165.5000109.8K23 T24 Y29 C30 E31 M37 L44K23-I27 VanDerWaalsContact O-CG1 3.28Å; K23-I27 WeakPolarHBondContact O-CG1 3.39Å; K23-I27 PolarHBondContact O-N 3.18Å; T24-I27 PolarHBondContact O-N 3.21Å; I27-Y29 VanDerWaalsContact C-N 3.28Å; I27-Y29 PolarHBondContact O-N 3.44Å; I27-C30 PolarHBondContact O-N 3.48Å; I27-C30 VanDerWaalsContact O-N 3.13Å; I27-E31 HydrophobicContact CG2-CG 4.31Å; I27-E31 WeakPolarHBondContact O-CG 3.45Å; I27-E31 PolarHBondContact O-N 3.46Å; I27-M37 HydrophobicContact CG2-CE 3.89Å; I27-L44 HydrophobicContact CD1-CD1 4.03Å; I27-L44 HydrophobicContact CG1-CD1 3.79Å
28Q93.5Very high92.2Very high126 Ų12668.9 Ų68.959%0.58935%0.346SS*.Hα-helixtrans-59.1-39177.6-74.9170.8-4.400112.3T24 E25 K32T24-Q28 WeakPolarHBondContact O-CB 3.41Å; T24-Q28 WeakPolarHBondContact O-CG 3.46Å; T24-Q28 PolarHBondContact O-N 3.39Å; E25-Q28 PolarHBondContact O-N 2.85Å; Q28-K32 VanDerWaalsContact O-CB 3.3Å; Q28-K32 WeakPolarHBondContact O-CB 3.18Å; Q28-K32 PolarHBondContact O-N 3.08Å
29Y93.3Very high92.3Very high41 Ų4169.2 Ų69.216%0.16135%0.346CS..Hα-helixtrans-63.8-48.6174.7-176.9-83.5000111.2I7 K10 L11 E25 L26 I27 E31 K32 E33I7-Y29 HydrophobicContact CB-CE1 4.44Å; I7-Y29 HydrophobicContact CD1-CD1 4.37Å; I7-Y29 HydrophobicContact CD1-CE1 4.12Å; I7-Y29 HydrophobicContact CG1-CD1 4.15Å; I7-Y29 HydrophobicContact CG1-CE1 3.68Å; I7-Y29 HydrophobicContact CG2-CD1 3.77Å; I7-Y29 HydrophobicContact CG2-CE1 4.08Å; I7-Y29 HydrophobicContact CG2-CG 4.43Å; K10-Y29 HydrophobicContact CD-CE2 3.99Å; K10-Y29 PolarHBondContact NZ-OH 2.87Å; L11-Y29 HydrophobicContact CD2-CD2 3.88Å; L11-Y29 HydrophobicContact CD2-CG 4.17Å; E25-Y29 WeakPolarHBondContact O-CB 3.26Å; E25-Y29 PolarHBondContact O-N 2.91Å; L26-Y29 WeakPolarHBondContact O-CB 3.38Å; L26-Y29 PolarHBondContact O-N 3.3Å; I27-Y29 VanDerWaalsContact C-N 3.28Å; I27-Y29 PolarHBondContact O-N 3.44Å; Y29-E31 PolarHBondContact O-N 2.98Å; Y29-K32 PolarHBondContact O-N 3.44Å; Y29-E33 HydrophobicContact CD1-CG 4.08Å; Y29-E33 HydrophobicContact CE1-CG 3.57Å; Y29-E33 HydrophobicContact CE2-CG 4.45Å; Y29-E33 WeakPolarHBondContact O-CG 3.42Å; Y29-E33 PolarHBondContact O-N 3.38Å
30C92.8Very high92.3Very high0 Ų068.4 Ų68.40%034%0.338CS..Hα-helixtrans-63.7-40.1-179.7-73.30000112.8L26 I27 E33 N34 M35 M37 V40L26-C30 WeakPolarHBondContact O-CB 3.4Å; L26-C30 PolarHBondContact O-N 2.94Å; L26-C30 PolarHBondContact O-SG 3.19Å; L26-C30 VanDerWaalsContact O-SG 3.37Å; I27-C30 PolarHBondContact O-N 3.48Å; I27-C30 VanDerWaalsContact O-N 3.13Å; C30-E33 PolarHBondContact O-N 3.16Å; C30-N34 PolarHBondContact O-N 3.03Å; C30-M35 HydrophobicContact CB-CB 4.17Å; C30-M35 HydrophobicContact CB-SD 4.33Å; C30-M35 WeakPolarHBondContact O-CB 3.49Å; C30-M35 PolarHBondContact O-N 2.98Å; C30-M37 HydrophobicContact CB-CE 4.45Å; C30-M37 HydrophobicContact CB-SD 4.05Å; C30-V40 HydrophobicContact CB-CG1 4.27Å; C30-V40 HydrophobicContact CB-CG2 3.73Å
31E94.1Very high92.2Very high110 Ų11068.1 Ų68.151%0.51434%0.341SS..Hα-helixtrans-61.1-46.8173.5-73.3175.916000111.1I27 Y29 E33 N34 M37I27-E31 HydrophobicContact CG2-CG 4.31Å; I27-E31 WeakPolarHBondContact O-CG 3.45Å; I27-E31 PolarHBondContact O-N 3.46Å; Y29-E31 PolarHBondContact O-N 2.98Å; E31-E33 VanDerWaalsContact C-N 3.29Å; E31-E33 PolarHBondContact O-N 3.02Å; E31-N34 PolarHBondContact O-N 3.28Å; E31-M37 HydrophobicContact CG-CE 3.99Å; E31-M37 HydrophobicContact CG-SD 3.9Å
32K94.1Very high92.1Very high162 Ų16273.7 Ų73.770%0.70437%0.367SS*.Hα-helixtrans-60.7-38.2178.6-177.9-175.3174.1-175.10112.4Q28 Y29 N34Q28-K32 VanDerWaalsContact O-CB 3.3Å; Q28-K32 WeakPolarHBondContact O-CB 3.18Å; Q28-K32 PolarHBondContact O-N 3.08Å; Y29-K32 PolarHBondContact O-N 3.44Å; K32-N34 PolarHBondContact O-N 3.07Å
33E91.8Very high91.9Very high94 Ų9469.4 Ų69.444%0.43935%0.348SS..THydrogen-bonded Turntrans-84.19.8178.1-62.7-62.6135.100113.1Y29 C30 E31 M35Y29-E33 HydrophobicContact CD1-CG 4.08Å; Y29-E33 HydrophobicContact CE1-CG 3.57Å; Y29-E33 HydrophobicContact CE2-CG 4.45Å; Y29-E33 WeakPolarHBondContact O-CG 3.42Å; Y29-E33 PolarHBondContact O-N 3.38Å; C30-E33 PolarHBondContact O-N 3.16Å; E31-E33 VanDerWaalsContact C-N 3.29Å; E31-E33 PolarHBondContact O-N 3.02Å; E33-M35 HydrophobicContact CB-CG 4.12Å; E33-M35 PolarHBondContact O-N 2.78Å
34N92.2Very high92Very high150 Ų15068.5 Ų68.580%0.80234%0.344SS*.THydrogen-bonded Turntrans50.442.4-178.5-61.9-66.3000113C30 E31 K32C30-N34 PolarHBondContact O-N 3.03Å; E31-N34 PolarHBondContact O-N 3.28Å; K32-N34 PolarHBondContact O-N 3.07Å
35M92.4Very high92Very high21 Ų2170.1 Ų70.110%0.10335%0.345CS..  trans-76.9155.1176.1-64.8-171.55800111.3K3 F4 I7 C30 E33 M37 V40K3-M35 HydrophobicContact CD-CE 3.95Å; K3-M35 HydrophobicContact CG-CE 4.47Å; F4-M35 HydrophobicContact CE1-CE 4Å; I7-M35 HydrophobicContact CD1-CE 3.9Å; I7-M35 HydrophobicContact CD1-SD 3.57Å; I7-M35 VanDerWaalsContact CD1-SD 3.57Å; C30-M35 HydrophobicContact CB-CB 4.17Å; C30-M35 HydrophobicContact CB-SD 4.33Å; C30-M35 WeakPolarHBondContact O-CB 3.49Å; C30-M35 PolarHBondContact O-N 2.98Å; E33-M35 HydrophobicContact CB-CG 4.12Å; E33-M35 PolarHBondContact O-N 2.78Å; M35-M37 PolarHBondContact O-N 3.44Å; M35-M37 VanDerWaalsContact O-N 3.09Å; M35-V40 HydrophobicContact CB-CG2 4.35Å
36D93Very high91.9Very high103 Ų10372 Ų7255%0.55136%0.36SS*.  trans-66.5107.9172.5178.13.6000110C38 M39 V40D36-C38 PolarHBondContact O-N 3.24Å; D36-C38 WeakPolarHBondContact OD1-CB 3.33Å; D36-C38 PolarHBondContact OD1-N 2.83Å; D36-M39 HydrophobicContact CB-CB 4.09Å; D36-M39 VanDerWaalsContact O-CB 3.28Å; D36-M39 WeakPolarHBondContact O-CB 3.45Å; D36-M39 PolarHBondContact O-N 2.69Å; D36-V40 WeakPolarHBondContact O-CG2 3.38Å; D36-V40 PolarHBondContact O-N 2.89Å; D36-V40 VanDerWaalsContact O-N 3.12Å
37M92.6Very high92Very high53 Ų5372 Ų7226%0.26136%0.361SS..Hα-helixtrans-66.7-24.7-177.1-62.6-51.6-62.500112.8I27 C30 E31 M35 M39 V40 D41I27-M37 HydrophobicContact CG2-CE 3.89Å; C30-M37 HydrophobicContact CB-CE 4.45Å; C30-M37 HydrophobicContact CB-SD 4.05Å; E31-M37 HydrophobicContact CG-CE 3.99Å; E31-M37 HydrophobicContact CG-SD 3.9Å; M35-M37 PolarHBondContact O-N 3.44Å; M35-M37 VanDerWaalsContact O-N 3.09Å; M37-M39 VanDerWaalsContact C-N 3.3Å; M37-M39 PolarHBondContact O-N 3.42Å; M37-V40 HydrophobicContact CE-CB 4.14Å; M37-V40 HydrophobicContact CE-CG1 4Å; M37-V40 HydrophobicContact CE-CG2 4.45Å; M37-V40 PolarHBondContact O-N 3.5Å; M37-V40 HydrophobicContact SD-CB 4.41Å; M37-V40 HydrophobicContact SD-CG2 4.15Å; M37-D41 WeakPolarHBondContact O-CB 3.32Å; M37-D41 VanDerWaalsContact O-CG 3.24Å; M37-D41 PolarHBondContact O-N 2.8Å
38C92.6Very high91.4Very high91 Ų9174.8 Ų74.862%0.61538%0.376SS*.Hα-helixtrans-65.4-37.5171.8-66.90000111.4D36 E42D36-C38 PolarHBondContact O-N 3.24Å; D36-C38 WeakPolarHBondContact OD1-CB 3.33Å; D36-C38 PolarHBondContact OD1-N 2.83Å; C38-E42 PolarHBondContact O-N 3.35Å; C38-E42 VanDerWaalsContact O-N 3.16Å
39M89.6Confident90.8Very high98 Ų9874.3 Ų74.348%0.48339%0.386SS..Hα-helixtrans-67.6-38174.1-166.5-159.3178.200111.4F4 D36 M37 W43F4-M39 HydrophobicContact CE1-CE 4.45Å; F4-M39 HydrophobicContact CE2-CE 3.59Å; F4-M39 HydrophobicContact CE2-SD 4.5Å; F4-M39 HydrophobicContact CZ-CE 3.42Å; F4-M39 VanDerWaalsContact CZ-CE 3.42Å; F4-M39 HydrophobicContact CZ-CG 3.93Å; F4-M39 HydrophobicContact CZ-SD 3.75Å; D36-M39 HydrophobicContact CB-CB 4.09Å; D36-M39 VanDerWaalsContact O-CB 3.28Å; D36-M39 WeakPolarHBondContact O-CB 3.45Å; D36-M39 PolarHBondContact O-N 2.69Å; M37-M39 VanDerWaalsContact C-N 3.3Å; M37-M39 PolarHBondContact O-N 3.42Å; M39-W43 WeakPolarHBondContact O-CB 3.39Å; M39-W43 PolarHBondContact O-N 3.14Å
40V90.9Very high90.2Very high0 Ų074.9 Ų74.90%039%0.392CS..Hα-helixtrans-67.3-40.3177.1177.10000111.2L26 C30 M35 D36 M37 W43 L44L26-V40 HydrophobicContact CD2-CG1 3.9Å; C30-V40 HydrophobicContact CB-CG1 4.27Å; C30-V40 HydrophobicContact CB-CG2 3.73Å; M35-V40 HydrophobicContact CB-CG2 4.35Å; D36-V40 WeakPolarHBondContact O-CG2 3.38Å; D36-V40 PolarHBondContact O-N 2.89Å; D36-V40 VanDerWaalsContact O-N 3.12Å; M37-V40 HydrophobicContact CE-CB 4.14Å; M37-V40 HydrophobicContact CE-CG1 4Å; M37-V40 HydrophobicContact CE-CG2 4.45Å; M37-V40 PolarHBondContact O-N 3.5Å; M37-V40 HydrophobicContact SD-CB 4.41Å; M37-V40 HydrophobicContact SD-CG2 4.15Å; V40-W43 HydrophobicContact CG1-CE3 4.18Å; V40-W43 WeakPolarHBondContact O-CB 3.45Å; V40-W43 PolarHBondContact O-N 2.9Å; V40-L44 HydrophobicContact CG1-CD1 4.07Å; V40-L44 HydrophobicContact CG1-CG 4.44Å; V40-L44 WeakPolarHBondContact O-CB 3.43Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.23Å
41D90.9Very high90Very high92 Ų9279.8 Ų79.849%0.49242%0.418SS..Hα-helixtrans-64.8-44.9177.6-73.1-22.7000111.6M37 W43 L44 K45M37-D41 WeakPolarHBondContact O-CB 3.32Å; M37-D41 VanDerWaalsContact O-CG 3.24Å; M37-D41 PolarHBondContact O-N 2.8Å; D41-W43 VanDerWaalsContact C-N 3.26Å; D41-W43 PolarHBondContact O-N 3.01Å; D41-L44 PolarHBondContact O-N 3.47Å; D41-K45 WeakPolarHBondContact O-CB 3.23Å; D41-K45 PolarHBondContact O-N 3.39Å
42E90.4Very high89.9Confident118 Ų11879.9 Ų79.955%0.55142%0.417SS*.Hα-helixtrans-63.6-33.8174.4-75.8-62.5131.100112C38 K45C38-E42 PolarHBondContact O-N 3.35Å; C38-E42 VanDerWaalsContact O-N 3.16Å; E42-K45 VanDerWaalsContact CD-NZ 3.32Å; E42-K45 WeakPolarHBondContact O-CB 3.34Å; E42-K45 IonicContact OE1-NZ 2.85Å; E42-K45 PolarHBondContact OE1-NZ 3.47Å; E42-K45 WeakPolarHBondContact OE2-CD 3.33Å; E42-K45 IonicContact OE2-NZ 2.92Å; E42-K45 PolarHBondContact OE2-NZ 2.89Å
43W88.6Confident89.9Confident10 Ų1072.1 Ų72.14%0.03838%0.383CS..Hα-helixtrans-67.1-38.4173.3170.657.8000113F4 I7 L26 M39 V40 D41 P46 F58 F62F4-W43 HydrophobicContact CB-CD2 4.35Å; F4-W43 HydrophobicContact CB-CH2 4.47Å; F4-W43 HydrophobicContact CB-CZ2 3.9Å; F4-W43 AromaticContact CD1-CD2 3.74Å; F4-W43 HydrophobicContact CD1-CD2 3.74Å; F4-W43 AromaticContact CD1-CE2 3.99Å; F4-W43 AromaticContact CD1-CE3 3.8Å; F4-W43 HydrophobicContact CD1-CE3 3.8Å; F4-W43 HydrophobicContact CD1-CG 4.09Å; F4-W43 HydrophobicContact CD1-CH2 4.27Å; F4-W43 HydrophobicContact CD1-CZ2 4.32Å; F4-W43 HydrophobicContact CD1-CZ3 4Å; F4-W43 HydrophobicContact CD2-CB 4.47Å; F4-W43 AromaticContact CD2-CD1 3.73Å; F4-W43 HydrophobicContact CD2-CD2 4.4Å; F4-W43 AromaticContact CD2-CG 3.99Å; F4-W43 HydrophobicContact CD2-CG 3.99Å; F4-W43 HydrophobicContact CE1-CB 4.27Å; F4-W43 HydrophobicContact CE1-CD2 4.03Å; F4-W43 AromaticContact CE1-CE3 3.95Å; F4-W43 HydrophobicContact CE1-CE3 3.95Å; F4-W43 HydrophobicContact CE1-CG 4.13Å; F4-W43 HydrophobicContact CE1-CZ3 4.44Å; F4-W43 HydrophobicContact CE2-CB 4Å; F4-W43 HydrophobicContact CE2-CG 4.01Å; F4-W43 AromaticContact CG-CD1 3.9Å; F4-W43 AromaticContact CG-CD2 3.94Å; F4-W43 HydrophobicContact CG-CD2 3.94Å; F4-W43 AromaticContact CG-CE2 3.86Å; F4-W43 HydrophobicContact CG-CE3 4.46Å; F4-W43 HydrophobicContact CG-CG 4.03Å; F4-W43 HydrophobicContact CG-CZ2 4.34Å; F4-W43 AromaticContact CG-NE1 3.87Å; F4-W43 HydrophobicContact CZ-CB 3.89Å; F4-W43 HydrophobicContact CZ-CD2 4.46Å; F4-W43 HydrophobicContact CZ-CG 4.07Å; I7-W43 HydrophobicContact CG2-CH2 4.42Å; L26-W43 HydrophobicContact CD1-CE3 4.1Å; L26-W43 HydrophobicContact CD1-CH2 3.02Å; L26-W43 HydrophobicContact CD1-CZ2 3.77Å; L26-W43 HydrophobicContact CD1-CZ3 3.23Å; L26-W43 HydrophobicContact CD2-CE3 3.83Å; L26-W43 HydrophobicContact CD2-CH2 3.94Å; L26-W43 HydrophobicContact CD2-CZ3 3.19Å; L26-W43 HydrophobicContact CG-CE3 4.26Å; L26-W43 HydrophobicContact CG-CH2 3.41Å; L26-W43 VanDerWaalsContact CG-CH2 3.41Å; L26-W43 HydrophobicContact CG-CZ3 3.23Å; M39-W43 WeakPolarHBondContact O-CB 3.39Å; M39-W43 PolarHBondContact O-N 3.14Å; V40-W43 HydrophobicContact CG1-CE3 4.18Å; V40-W43 WeakPolarHBondContact O-CB 3.45Å; V40-W43 PolarHBondContact O-N 2.9Å; D41-W43 VanDerWaalsContact C-N 3.26Å; D41-W43 PolarHBondContact O-N 3.01Å; W43-P46 VanDerWaalsContact O-CD 3.26Å; W43-P46 WeakPolarHBondContact O-CD 3.46Å; W43-F58 AromaticContact CZ2-CE2 3.76Å; W43-F58 HydrophobicContact CZ2-CE2 3.76Å; W43-F58 AromaticContact NE1-CE2 3.77Å; W43-F62 AromaticContact CD1-CE1 3.58Å; W43-F62 AromaticContact CD1-CE2 3.85Å; W43-F62 AromaticContact CD1-CZ 3.03Å; W43-F62 HydrophobicContact CG-CZ 4.29Å; W43-F62 AromaticContact NE1-CE1 3.84Å; W43-F62 AromaticContact NE1-CE2 3.29Å; W43-F62 VanDerWaalsContact NE1-CE2 3.29Å; W43-F62 AromaticContact NE1-CZ 3Å
44L91.2Very high90Very high8 Ų868.5 Ų68.54%0.04237%0.368CS..Hα-helixtrans-80.7-18.6179.9-76178.2000113.9K23 L26 I27 V40 D41 P46 F47 N48 I53K23-L44 HydrophobicContact CG-CD2 4.19Å; L26-L44 HydrophobicContact CD1-CD2 3.67Å; L26-L44 HydrophobicContact CD2-CD1 3.79Å; L26-L44 HydrophobicContact CD2-CD2 3.89Å; L26-L44 HydrophobicContact CD2-CG 4.03Å; L26-L44 HydrophobicContact CG-CD2 4.43Å; I27-L44 HydrophobicContact CD1-CD1 4.03Å; I27-L44 HydrophobicContact CG1-CD1 3.79Å; V40-L44 HydrophobicContact CG1-CD1 4.07Å; V40-L44 HydrophobicContact CG1-CG 4.44Å; V40-L44 WeakPolarHBondContact O-CB 3.43Å; V40-L44 WeakPolarHBondContact O-CG 3.32Å; V40-L44 PolarHBondContact O-N 3.23Å; D41-L44 PolarHBondContact O-N 3.47Å; L44-P46 VanDerWaalsContact C-CD 3.41Å; L44-F47 CarbonylContact O-C 3.57Å; L44-F47 WeakPolarHBondContact O-CA 3.44Å; L44-F47 WeakPolarHBondContact O-CB 3.19Å; L44-F47 PolarHBondContact O-N 3.18Å; L44-N48 PolarHBondContact O-N 2.94Å; L44-I53 HydrophobicContact CD2-CD1 3.8Å
45K92Very high90.1Very high105 Ų10561.7 Ų61.746%0.45733%0.332SS..G310 helixtrans-49.8-43.6-177.2-170.3178.7-170.4166.80114.6D41 E42 F47 N48D41-K45 WeakPolarHBondContact O-CB 3.23Å; D41-K45 PolarHBondContact O-N 3.39Å; E42-K45 VanDerWaalsContact CD-NZ 3.32Å; E42-K45 WeakPolarHBondContact O-CB 3.34Å; E42-K45 IonicContact OE1-NZ 2.85Å; E42-K45 PolarHBondContact OE1-NZ 3.47Å; E42-K45 WeakPolarHBondContact OE2-CD 3.33Å; E42-K45 IonicContact OE2-NZ 2.92Å; E42-K45 PolarHBondContact OE2-NZ 2.89Å; K45-F47 PolarHBondContact O-N 3.42Å; K45-N48 WeakPolarHBondContact CA-OD1 3.17Å; K45-N48 WeakPolarHBondContact O-CB 3.4Å; K45-N48 PolarHBondContact O-N 2.95Å; K45-N48 PolarHBondContact O-ND2 2.92Å; K45-N48 PolarHBondContact O-OD1 3.49Å
46P91.3Very high90.2Very high77 Ų7768.7 Ų68.750%0.536%0.357SS..G310 helixtrans-63.5-23.6176.5-21.135.1000113.3W43 L44 V61W43-P46 VanDerWaalsContact O-CD 3.26Å; W43-P46 WeakPolarHBondContact O-CD 3.46Å; L44-P46 VanDerWaalsContact C-CD 3.41Å; P46-V61 HydrophobicContact CB-CG1 3.56Å; P46-V61 HydrophobicContact CB-CG2 4.15Å; P46-V61 HydrophobicContact CG-CG1 3.77Å
47F91.7Very high90.2Very high2 Ų267.6 Ų67.61%0.00935%0.348CS..G310 helixtrans-96.16.9-179.1-52.5-76.8000112.8K23 L44 K45 S49 L50 I53 E57 F58 V61 F62K23-F47 WeakPolarHBondContact CE-O 3.28Å; K23-F47 VanDerWaalsContact NZ-C 3.34Å; K23-F47 PolarHBondContact NZ-O 3.16Å; L44-F47 CarbonylContact O-C 3.57Å; L44-F47 WeakPolarHBondContact O-CA 3.44Å; L44-F47 WeakPolarHBondContact O-CB 3.19Å; L44-F47 PolarHBondContact O-N 3.18Å; K45-F47 PolarHBondContact O-N 3.42Å; F47-S49 PolarHBondContact O-N 3.27Å; F47-L50 HydrophobicContact CD1-CD1 4.26Å; F47-L50 WeakPolarHBondContact O-CB 3.48Å; F47-L50 PolarHBondContact O-N 3.41Å; F47-I53 HydrophobicContact CB-CD1 3.89Å; F47-I53 HydrophobicContact CB-CG1 3.98Å; F47-I53 HydrophobicContact CD1-CB 4.43Å; F47-I53 HydrophobicContact CD1-CD1 4.19Å; F47-I53 HydrophobicContact CD1-CG1 4Å; F47-I53 HydrophobicContact CD1-CG2 3.65Å; F47-I53 HydrophobicContact CD2-CD1 3.83Å; F47-I53 HydrophobicContact CE1-CG2 3.53Å; F47-I53 HydrophobicContact CE2-CD1 4.42Å; F47-I53 HydrophobicContact CG-CD1 3.69Å; F47-I53 HydrophobicContact CG-CG1 3.91Å; F47-I53 HydrophobicContact CG-CG2 4.26Å; F47-I53 HydrophobicContact CZ-CG2 4.06Å; F47-E57 HydrophobicContact CE1-CB 4.44Å; F47-F58 HydrophobicContact CZ-CD2 4.25Å; F47-V61 HydrophobicContact CD1-CG2 4.31Å; F47-V61 HydrophobicContact CE1-CB 3.96Å; F47-V61 HydrophobicContact CE1-CG1 4.34Å; F47-V61 HydrophobicContact CE1-CG2 3.54Å; F47-V61 HydrophobicContact CE2-CB 4.42Å; F47-V61 HydrophobicContact CE2-CG1 3.97Å; F47-V61 HydrophobicContact CZ-CB 3.59Å; F47-V61 HydrophobicContact CZ-CG1 3.64Å; F47-V61 HydrophobicContact CZ-CG2 3.71Å; F47-F62 AromaticContact CE2-CE2 3.73Å; F47-F62 HydrophobicContact CE2-CE2 3.73Å; F47-F62 AromaticContact CE2-CZ 3.95Å; F47-F62 HydrophobicContact CE2-CZ 3.95Å; F47-F62 AromaticContact CZ-CE2 3.72Å; F47-F62 HydrophobicContact CZ-CE2 3.72Å; F47-F62 HydrophobicContact CZ-CZ 4.32Å
48N80.5Confident90.3Very high110 Ų11065.1 Ų65.159%0.58834%0.336SS*.THydrogen-bonded Turntrans-46.3-37.2-166.8-88.3-9.2000116K23 L44 K45 L50K23-N48 VanDerWaalsContact NZ-C 3.28Å; K23-N48 VanDerWaalsContact NZ-CA 3.28Å; K23-N48 PolarHBondContact NZ-O 2.92Å; L44-N48 PolarHBondContact O-N 2.94Å; K45-N48 WeakPolarHBondContact CA-OD1 3.17Å; K45-N48 WeakPolarHBondContact O-CB 3.4Å; K45-N48 PolarHBondContact O-N 2.95Å; K45-N48 PolarHBondContact O-ND2 2.92Å; K45-N48 PolarHBondContact O-OD1 3.49Å; N48-L50 VanDerWaalsContact C-N 3.31Å; N48-L50 PolarHBondContact O-N 3.34Å
49S81Confident90.3Very high115 Ų11560.8 Ų60.880%0.80431%0.307SS*.THydrogen-bonded Turntrans-77.6-7.8179.1520000115.4F47F47-S49 PolarHBondContact O-N 3.27Å
50L80.2Confident90.5Very high54 Ų5461.3 Ų61.328%0.28332%0.315SS..  trans-104.3138.4-173-55.5178.1000111.9K23 F47 N48 K52K23-L50 WeakPolarHBondContact CD-O 3.44Å; K23-L50 WeakPolarHBondContact CE-O 3.45Å; K23-L50 PolarHBondContact NZ-O 2.85Å; F47-L50 HydrophobicContact CD1-CD1 4.26Å; F47-L50 WeakPolarHBondContact O-CB 3.48Å; F47-L50 PolarHBondContact O-N 3.41Å; N48-L50 VanDerWaalsContact C-N 3.31Å; N48-L50 PolarHBondContact O-N 3.34Å; L50-K52 WeakPolarHBondContact CB-O 3.28Å
51D88.2Confident90.5Very high102 Ų10264.2 Ų64.255%0.54533%0.333SS..SBendtrans-83.7-34.2167.4178.553.7000111.4K23K23-D51 PolarHBondContact N-O 3.46Å
52K92.8Very high90.4Very high112 Ų11261.6 Ų61.649%0.48732%0.317SS..EExtended strand (participates in β ladder)trans-119137.5178.6-63.7-179.1-176.7178.10110.1I21 K22 L50I21-K52 CarbonylContact O-C 3.57Å; I21-K52 VanDerWaalsContact O-CA 3.31Å; I21-K52 WeakPolarHBondContact O-CA 3.43Å; K22-K52 HydrophobicContact CG-CG 4.18Å; L50-K52 WeakPolarHBondContact CB-O 3.28Å
53I93.8Very high90.4Very high0 Ų058.9 Ų58.90%032%0.321CS..EExtended strand (participates in β ladder)trans-107.3118.7177.4-56.1169.8000107F8 F20 I21 K23 L26 L44 F47 F58F8-I53 HydrophobicContact CE2-CB 4.32Å; F8-I53 HydrophobicContact CE2-CG2 3.93Å; F20-I53 WeakPolarHBondContact CA-O 3.28Å; I21-I53 HydrophobicContact CG1-CB 4.12Å; I21-I53 PolarHBondContact N-O 3.28Å; I21-I53 PolarHBondContact O-N 2.96Å; K23-I53 HydrophobicContact CG-CD1 4.06Å; K23-I53 HydrophobicContact CG-CG1 4.35Å; L26-I53 HydrophobicContact CD1-CD1 4.34Å; L44-I53 HydrophobicContact CD2-CD1 3.8Å; F47-I53 HydrophobicContact CB-CD1 3.89Å; F47-I53 HydrophobicContact CB-CG1 3.98Å; F47-I53 HydrophobicContact CD1-CB 4.43Å; F47-I53 HydrophobicContact CD1-CD1 4.19Å; F47-I53 HydrophobicContact CD1-CG1 4Å; F47-I53 HydrophobicContact CD1-CG2 3.65Å; F47-I53 HydrophobicContact CD2-CD1 3.83Å; F47-I53 HydrophobicContact CE1-CG2 3.53Å; F47-I53 HydrophobicContact CE2-CD1 4.42Å; F47-I53 HydrophobicContact CG-CD1 3.69Å; F47-I53 HydrophobicContact CG-CG1 3.91Å; F47-I53 HydrophobicContact CG-CG2 4.26Å; F47-I53 HydrophobicContact CZ-CG2 4.06Å; I53-F58 HydrophobicContact CG2-CB 4.12Å
54S94Very high90.6Very high17 Ų1759.1 Ų59.112%0.11932%0.323CS..EExtended strand (participates in β ladder)trans-76.7153.8172.170.60000111.2G19 F20 R56 E57 F58G19-S54 CarbonylContact O-C 3.42Å; G19-S54 VanDerWaalsContact O-CA 3.32Å; G19-S54 WeakPolarHBondContact O-CA 3.49Å; F20-S54 VanDerWaalsContact CE1-CB 3.45Å; S54-R56 PolarHBondContact O-N 3.17Å; S54-E57 WeakPolarHBondContact CB-OE2 3.44Å; S54-E57 PolarHBondContact N-OE2 3.11Å; S54-E57 PolarHBondContact O-N 2.98Å; S54-E57 WeakPolarHBondContact OG-CB 3.16Å; S54-E57 WeakPolarHBondContact OG-CG 3.36Å; S54-E57 PolarHBondContact OG-N 3.26Å; S54-E57 VanDerWaalsContact OG-N 3.14Å; S54-E57 PolarHBondContact OG-OE2 3.09Å; S54-F58 WeakPolarHBondContact O-CB 3.48Å; S54-F58 PolarHBondContact O-N 2.82Å
55F94.6Very high90.6Very high8 Ų863.2 Ų63.24%0.03534%0.341CS..Hα-helixtrans-61.1-33.7177.6-174.4-139.2000112.2F8 L9 G19 C59 Y66 M69 I70 K73F8-F55 AromaticContact CD1-CD2 3.73Å; F8-F55 HydrophobicContact CD1-CD2 3.73Å; F8-F55 HydrophobicContact CD1-CE2 4.24Å; F8-F55 HydrophobicContact CE1-CB 3.75Å; F8-F55 AromaticContact CE1-CD2 3.4Å; F8-F55 HydrophobicContact CE1-CD2 3.4Å; F8-F55 HydrophobicContact CE1-CE2 4.31Å; F8-F55 AromaticContact CE1-CG 3.94Å; F8-F55 HydrophobicContact CE1-CG 3.94Å; F8-F55 VanDerWaalsContact CZ-CA 3.46Å; F8-F55 HydrophobicContact CZ-CB 3.95Å; F8-F55 HydrophobicContact CZ-CD2 4.15Å; L9-F55 HydrophobicContact CD2-CE2 3.65Å; L9-F55 HydrophobicContact CD2-CZ 3.79Å; G19-F55 PolarHBondContact O-N 3.16Å; F55-C59 PolarHBondContact O-N 2.61Å; F55-C59 PolarHBondContact O-SG 3.27Å; F55-Y66 HydrophobicContact CB-CE2 4.41Å; F55-Y66 HydrophobicContact CD1-CD2 4.21Å; F55-Y66 AromaticContact CD1-CE2 3.56Å; F55-Y66 HydrophobicContact CD1-CE2 3.56Å; F55-Y66 HydrophobicContact CE1-CE2 4.18Å; F55-Y66 HydrophobicContact CG-CE2 4.17Å; F55-M69 HydrophobicContact CE1-CB 4.29Å; F55-M69 HydrophobicContact CE2-CB 4.28Å; F55-M69 HydrophobicContact CE2-CE 4.44Å; F55-M69 HydrophobicContact CZ-CB 3.63Å; F55-M69 HydrophobicContact CZ-CE 4.32Å; F55-I70 HydrophobicContact CE1-CG1 3.99Å; F55-K73 HydrophobicContact CE1-CD 4.44Å
56R93.8Very high90.7Very high168 Ų16862 Ų6263%0.63433%0.333SS*.Hα-helixtrans-68.8-46.2177.1-168.8173.1-173.7-140.20.3112S54 F58 C59 V60 Y66S54-R56 PolarHBondContact O-N 3.17Å; R56-F58 VanDerWaalsContact C-N 3.3Å; R56-F58 PolarHBondContact O-N 2.77Å; R56-C59 PolarHBondContact O-N 3.44Å; R56-V60 WeakPolarHBondContact O-CG2 3.41Å; R56-V60 PolarHBondContact O-N 2.85Å; R56-Y66 HydrophobicContact CB-CD2 4.06Å; R56-Y66 HydrophobicContact CB-CE2 3.79Å; R56-Y66 HydrophobicContact CG-CD2 4.15Å; R56-Y66 HydrophobicContact CG-CE2 4.26Å; R56-Y66 HydrophobicContact CG-CG 4.41Å
57E93.6Very high90.7Very high79 Ų7964.5 Ų64.537%0.36934%0.339SS..Hα-helixtrans-62.3-41.2175.3-72.2160.2152.800111.2F47 S54 C59 V60 V61F47-E57 HydrophobicContact CE1-CB 4.44Å; S54-E57 WeakPolarHBondContact CB-OE2 3.44Å; S54-E57 PolarHBondContact N-OE2 3.11Å; S54-E57 PolarHBondContact O-N 2.98Å; S54-E57 WeakPolarHBondContact OG-CB 3.16Å; S54-E57 WeakPolarHBondContact OG-CG 3.36Å; S54-E57 PolarHBondContact OG-N 3.26Å; S54-E57 VanDerWaalsContact OG-N 3.14Å; S54-E57 PolarHBondContact OG-OE2 3.09Å; E57-C59 VanDerWaalsContact C-N 3.34Å; E57-C59 PolarHBondContact O-N 3.14Å; E57-V60 PolarHBondContact O-N 3.1Å; E57-V61 WeakPolarHBondContact O-CG2 3.15Å; E57-V61 PolarHBondContact O-N 3.29Å
58F94.1Very high90.8Very high1 Ų166.8 Ų66.80%0.00435%0.349CS..Hα-helixtrans-55.3-50.5173.9179.8-91.6000111.2I5 F8 W43 F47 I53 S54 R56 V60 V61 F62 L64I5-F58 HydrophobicContact CB-CE1 4.26Å; I5-F58 HydrophobicContact CB-CZ 4.31Å; I5-F58 HydrophobicContact CG1-CE1 3.96Å; I5-F58 HydrophobicContact CG1-CZ 3.96Å; I5-F58 HydrophobicContact CG2-CE1 4.09Å; F8-F58 HydrophobicContact CB-CD2 4.39Å; F8-F58 HydrophobicContact CB-CE1 4.32Å; F8-F58 HydrophobicContact CB-CE2 4.09Å; F8-F58 HydrophobicContact CB-CZ 4.06Å; F8-F58 HydrophobicContact CD2-CB 3.93Å; F8-F58 HydrophobicContact CD2-CD1 4.19Å; F8-F58 AromaticContact CD2-CD2 3.36Å; F8-F58 HydrophobicContact CD2-CD2 3.36Å; F8-F58 AromaticContact CD2-CE2 3.9Å; F8-F58 HydrophobicContact CD2-CE2 3.9Å; F8-F58 AromaticContact CD2-CG 3.54Å; F8-F58 HydrophobicContact CD2-CG 3.54Å; F8-F58 HydrophobicContact CE2-CB 3.67Å; F8-F58 AromaticContact CE2-CD2 3.94Å; F8-F58 HydrophobicContact CE2-CD2 3.94Å; F8-F58 AromaticContact CE2-CG 3.85Å; F8-F58 HydrophobicContact CE2-CG 3.85Å; F8-F58 HydrophobicContact CG-CD1 4.21Å; F8-F58 HydrophobicContact CG-CD2 4.05Å; F8-F58 HydrophobicContact CG-CE1 4.42Å; F8-F58 HydrophobicContact CG-CE2 4.26Å; F8-F58 HydrophobicContact CG-CG 4.03Å; F8-F58 HydrophobicContact CG-CZ 4.44Å; F8-F58 HydrophobicContact CZ-CB 4.2Å; W43-F58 AromaticContact CZ2-CE2 3.76Å; W43-F58 HydrophobicContact CZ2-CE2 3.76Å; W43-F58 AromaticContact NE1-CE2 3.77Å; F47-F58 HydrophobicContact CZ-CD2 4.25Å; I53-F58 HydrophobicContact CG2-CB 4.12Å; S54-F58 WeakPolarHBondContact O-CB 3.48Å; S54-F58 PolarHBondContact O-N 2.82Å; R56-F58 VanDerWaalsContact C-N 3.3Å; R56-F58 PolarHBondContact O-N 2.77Å; F58-V60 PolarHBondContact O-N 3.39Å; F58-V61 PolarHBondContact O-N 2.84Å; F58-F62 HydrophobicContact CD1-CD2 4.13Å; F58-F62 AromaticContact CD2-CD2 3.64Å; F58-F62 HydrophobicContact CD2-CD2 3.64Å; F58-F62 AromaticContact CD2-CE2 3.49Å; F58-F62 HydrophobicContact CD2-CE2 3.49Å; F58-F62 VanDerWaalsContact CD2-CE2 3.49Å; F58-F62 AromaticContact CE1-CD2 3.9Å; F58-F62 HydrophobicContact CE1-CD2 3.9Å; F58-F62 AromaticContact CE2-CD2 3.37Å; F58-F62 HydrophobicContact CE2-CD2 3.37Å; F58-F62 AromaticContact CE2-CE2 3.22Å; F58-F62 HydrophobicContact CE2-CE2 3.22Å; F58-F62 HydrophobicContact CE2-CZ 4.33Å; F58-F62 HydrophobicContact CG-CD2 4.01Å; F58-F62 HydrophobicContact CG-CE2 4.27Å; F58-F62 AromaticContact CZ-CD2 3.51Å; F58-F62 HydrophobicContact CZ-CD2 3.51Å; F58-F62 AromaticContact CZ-CE2 3.84Å; F58-F62 HydrophobicContact CZ-CE2 3.84Å; F58-F62 HydrophobicContact CZ-CG 4.41Å; F58-F62 WeakPolarHBondContact O-CD2 3.34Å; F58-F62 PolarHBondContact O-N 2.91Å; F58-F62 VanDerWaalsContact O-N 3.15Å; F58-L64 HydrophobicContact CD1-CD1 4.24Å; F58-L64 HydrophobicContact CE1-CD1 3.76Å
59C93.7Very high91.4Very high1 Ų162 Ų621%0.00732%0.324CS..Hα-helixtrans-59.9-44.7178.5-67.70000112.2F55 R56 E57 V61 F62 G63 L64 Y66F55-C59 PolarHBondContact O-N 2.61Å; F55-C59 PolarHBondContact O-SG 3.27Å; R56-C59 PolarHBondContact O-N 3.44Å; E57-C59 VanDerWaalsContact C-N 3.34Å; E57-C59 PolarHBondContact O-N 3.14Å; C59-V61 PolarHBondContact O-N 3.47Å; C59-F62 PolarHBondContact O-N 3.33Å; C59-G63 PolarHBondContact O-N 3.24Å; C59-G63 VanDerWaalsContact O-N 3.09Å; C59-L64 HydrophobicContact CB-CB 4.08Å; C59-L64 PolarHBondContact O-N 3.17Å; C59-Y66 HydrophobicContact CB-CD2 4.28Å
60V92.5Very high92Very high109 Ų10960.2 Ų60.266%0.66130%0.304SS*.Hα-helixtrans-60.6-45.3179.11700000111.8R56 E57 F58 F62 G63R56-V60 WeakPolarHBondContact O-CG2 3.41Å; R56-V60 PolarHBondContact O-N 2.85Å; E57-V60 PolarHBondContact O-N 3.1Å; F58-V60 PolarHBondContact O-N 3.39Å; V60-F62 VanDerWaalsContact C-N 3.32Å; V60-F62 PolarHBondContact O-N 3.09Å; V60-G63 PolarHBondContact O-N 3.32Å
61V91.7Very high92.7Very high60 Ų6062.7 Ų62.736%0.36432%0.316SS..Hα-helixtrans-64.4-36.6-179.5166.20000112.2P46 F47 E57 F58 C59P46-V61 HydrophobicContact CB-CG1 3.56Å; P46-V61 HydrophobicContact CB-CG2 4.15Å; P46-V61 HydrophobicContact CG-CG1 3.77Å; F47-V61 HydrophobicContact CD1-CG2 4.31Å; F47-V61 HydrophobicContact CE1-CB 3.96Å; F47-V61 HydrophobicContact CE1-CG1 4.34Å; F47-V61 HydrophobicContact CE1-CG2 3.54Å; F47-V61 HydrophobicContact CE2-CB 4.42Å; F47-V61 HydrophobicContact CE2-CG1 3.97Å; F47-V61 HydrophobicContact CZ-CB 3.59Å; F47-V61 HydrophobicContact CZ-CG1 3.64Å; F47-V61 HydrophobicContact CZ-CG2 3.71Å; E57-V61 WeakPolarHBondContact O-CG2 3.15Å; E57-V61 PolarHBondContact O-N 3.29Å; F58-V61 PolarHBondContact O-N 2.84Å; C59-V61 PolarHBondContact O-N 3.47Å
62F89.6Confident93Very high37 Ų3758.1 Ų58.116%0.16229%0.291CS..THydrogen-bonded Turntrans-93.38-178.6-67.3-64.8000114.3M1 W43 F47 F58 C59 V60 L64M1-F62 HydrophobicContact CE-CD1 4.27Å; W43-F62 AromaticContact CD1-CE1 3.58Å; W43-F62 AromaticContact CD1-CE2 3.85Å; W43-F62 AromaticContact CD1-CZ 3.03Å; W43-F62 HydrophobicContact CG-CZ 4.29Å; W43-F62 AromaticContact NE1-CE1 3.84Å; W43-F62 AromaticContact NE1-CE2 3.29Å; W43-F62 VanDerWaalsContact NE1-CE2 3.29Å; W43-F62 AromaticContact NE1-CZ 3Å; F47-F62 AromaticContact CE2-CE2 3.73Å; F47-F62 HydrophobicContact CE2-CE2 3.73Å; F47-F62 AromaticContact CE2-CZ 3.95Å; F47-F62 HydrophobicContact CE2-CZ 3.95Å; F47-F62 AromaticContact CZ-CE2 3.72Å; F47-F62 HydrophobicContact CZ-CE2 3.72Å; F47-F62 HydrophobicContact CZ-CZ 4.32Å; F58-F62 HydrophobicContact CD1-CD2 4.13Å; F58-F62 AromaticContact CD2-CD2 3.64Å; F58-F62 HydrophobicContact CD2-CD2 3.64Å; F58-F62 AromaticContact CD2-CE2 3.49Å; F58-F62 HydrophobicContact CD2-CE2 3.49Å; F58-F62 VanDerWaalsContact CD2-CE2 3.49Å; F58-F62 AromaticContact CE1-CD2 3.9Å; F58-F62 HydrophobicContact CE1-CD2 3.9Å; F58-F62 AromaticContact CE2-CD2 3.37Å; F58-F62 HydrophobicContact CE2-CD2 3.37Å; F58-F62 AromaticContact CE2-CE2 3.22Å; F58-F62 HydrophobicContact CE2-CE2 3.22Å; F58-F62 HydrophobicContact CE2-CZ 4.33Å; F58-F62 HydrophobicContact CG-CD2 4.01Å; F58-F62 HydrophobicContact CG-CE2 4.27Å; F58-F62 AromaticContact CZ-CD2 3.51Å; F58-F62 HydrophobicContact CZ-CD2 3.51Å; F58-F62 AromaticContact CZ-CE2 3.84Å; F58-F62 HydrophobicContact CZ-CE2 3.84Å; F58-F62 HydrophobicContact CZ-CG 4.41Å; F58-F62 WeakPolarHBondContact O-CD2 3.34Å; F58-F62 PolarHBondContact O-N 2.91Å; F58-F62 VanDerWaalsContact O-N 3.15Å; C59-F62 PolarHBondContact O-N 3.33Å; V60-F62 VanDerWaalsContact C-N 3.32Å; V60-F62 PolarHBondContact O-N 3.09Å; F62-L64 HydrophobicContact CB-CD1 3.93Å; F62-L64 HydrophobicContact CB-CG 3.81Å; F62-L64 PolarHBondContact O-N 3.36Å
63G89.8Confident93Very high62 Ų6253.9 Ų53.964%0.63927%0.272SS*.THydrogen-bonded Turntrans65.718.2-178.300000113.7C59 V60C59-G63 PolarHBondContact O-N 3.24Å; C59-G63 VanDerWaalsContact O-N 3.09Å; V60-G63 PolarHBondContact O-N 3.32Å
64L92Very high93Very high15 Ų1560.1 Ų60.18%0.07930%0.3CS..  trans-83142-178.9-53.1171000109.9I5 F58 C59 F62 Y66 M69 P160I5-L64 HydrophobicContact CD1-CD1 3.66Å; I5-L64 HydrophobicContact CD1-CD2 3.88Å; I5-L64 HydrophobicContact CD1-CG 4.42Å; I5-L64 HydrophobicContact CG1-CD1 3.93Å; I5-L64 HydrophobicContact CG2-CD1 4.47Å; F58-L64 HydrophobicContact CD1-CD1 4.24Å; F58-L64 HydrophobicContact CE1-CD1 3.76Å; C59-L64 HydrophobicContact CB-CB 4.08Å; C59-L64 PolarHBondContact O-N 3.17Å; F62-L64 HydrophobicContact CB-CD1 3.93Å; F62-L64 HydrophobicContact CB-CG 3.81Å; F62-L64 PolarHBondContact O-N 3.36Å; L64-Y66 PolarHBondContact O-N 3.15Å; L64-M69 HydrophobicContact CB-CG 3.81Å; L64-M69 HydrophobicContact CD1-CG 4.17Å; L64-M69 HydrophobicContact CD1-SD 4.22Å; L64-P160 HydrophobicContact CD2-CG 4.05Å
65K92Very high93Very high94 Ų9460.4 Ų60.441%0.40930%0.3SS..  trans-76.6115.1171.5-69.9173.3178.6-176.10109.9E67 E68 M69 R177K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 2.93Å; K65-E68 HydrophobicContact CB-CB 4.07Å; K65-E68 HydrophobicContact CB-CG 3.97Å; K65-E68 HydrophobicContact CD-CG 4.15Å; K65-E68 WeakPolarHBondContact CD-OE1 2.98Å; K65-E68 IonicContact NZ-OE1 3.87Å; K65-E68 PolarHBondContact NZ-OE1 3.43Å; K65-E68 PolarHBondContact O-N 2.94Å; K65-E68 VanDerWaalsContact O-N 3.15Å; K65-M69 WeakPolarHBondContact O-CG 3.47Å; K65-M69 PolarHBondContact O-N 3.46Å; K65-R177 VanDerWaalsContact NZ-NH2 3.2Å
66Y93.1Very high92.8Very high78 Ų7862.9 Ų62.931%0.30631%0.309SS..Hα-helixtrans-55.9-40.8-175.5-178.6-111.1000112.7F55 R56 C59 L64 M69 I70F55-Y66 HydrophobicContact CB-CE2 4.41Å; F55-Y66 HydrophobicContact CD1-CD2 4.21Å; F55-Y66 AromaticContact CD1-CE2 3.56Å; F55-Y66 HydrophobicContact CD1-CE2 3.56Å; F55-Y66 HydrophobicContact CE1-CE2 4.18Å; F55-Y66 HydrophobicContact CG-CE2 4.17Å; R56-Y66 HydrophobicContact CB-CD2 4.06Å; R56-Y66 HydrophobicContact CB-CE2 3.79Å; R56-Y66 HydrophobicContact CG-CD2 4.15Å; R56-Y66 HydrophobicContact CG-CE2 4.26Å; R56-Y66 HydrophobicContact CG-CG 4.41Å; C59-Y66 HydrophobicContact CB-CD2 4.28Å; L64-Y66 PolarHBondContact O-N 3.15Å; Y66-M69 PolarHBondContact O-N 3Å; Y66-I70 HydrophobicContact CD1-CD1 3.81Å; Y66-I70 HydrophobicContact CE1-CD1 3.32Å; Y66-I70 HydrophobicContact CE1-CG1 4.26Å; Y66-I70 HydrophobicContact CE2-CD1 4.31Å; Y66-I70 HydrophobicContact CE2-CG1 4.44Å; Y66-I70 HydrophobicContact CG-CD1 4.49Å; Y66-I70 WeakPolarHBondContact O-CG1 3.39Å; Y66-I70 PolarHBondContact O-N 3.02Å
67E92.6Very high92.7Very high130 Ų13057.2 Ų57.261%0.60729%0.29SS*.Hα-helixtrans-66.7-42.1179.6-61.973.3-159.600112K65 M69 I70 M71K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 2.93Å; E67-M69 VanDerWaalsContact C-N 3.31Å; E67-I70 PolarHBondContact O-N 3.33Å; E67-M71 PolarHBondContact O-N 3.48Å
68E93.2Very high92.7Very high50 Ų5055.8 Ų55.823%0.23429%0.285CS..Hα-helixtrans-64.6-39.7175.6-64.6-179.1-165.800110.4K65 M71 E72 R177K65-E68 HydrophobicContact CB-CB 4.07Å; K65-E68 HydrophobicContact CB-CG 3.97Å; K65-E68 HydrophobicContact CD-CG 4.15Å; K65-E68 WeakPolarHBondContact CD-OE1 2.98Å; K65-E68 IonicContact NZ-OE1 3.87Å; K65-E68 PolarHBondContact NZ-OE1 3.43Å; K65-E68 PolarHBondContact O-N 2.94Å; K65-E68 VanDerWaalsContact O-N 3.15Å; E68-M71 HydrophobicContact CG-CE 4.42Å; E68-M71 PolarHBondContact O-N 3.03Å; E68-E72 PolarHBondContact O-N 2.85Å; E68-R177 VanDerWaalsContact CD-NH1 3.33Å; E68-R177 IonicContact OE1-CZ 2.65Å; E68-R177 IonicContact OE1-NH1 3.93Å; E68-R177 PolarHBondContact OE1-NH1 3.43Å; E68-R177 VanDerWaalsContact OE1-NH1 3.13Å; E68-R177 IonicContact OE1-NH2 3.81Å; E68-R177 IonicContact OE2-CZ 3.93Å; E68-R177 IonicContact OE2-NH1 3.94Å; E68-R177 PolarHBondContact OE2-NH1 2.58Å; E68-R177 IonicContact OE2-NH2 3.03Å
69M93.9Very high92.6Very high11 Ų1160.2 Ų60.25%0.05431%0.307CS..Hα-helixtrans-70.2-31.9179.1-75.4-53.7-43.800114.1I5 L9 F55 L64 K65 Y66 E67 M71 E72 K73 F161I5-M69 HydrophobicContact CG2-CE 3.35Å; I5-M69 HydrophobicContact CG2-SD 4.28Å; L9-M69 HydrophobicContact CD1-CE 4.11Å; L9-M69 HydrophobicContact CD2-CE 4.38Å; F55-M69 HydrophobicContact CE1-CB 4.29Å; F55-M69 HydrophobicContact CE2-CB 4.28Å; F55-M69 HydrophobicContact CE2-CE 4.44Å; F55-M69 HydrophobicContact CZ-CB 3.63Å; F55-M69 HydrophobicContact CZ-CE 4.32Å; L64-M69 HydrophobicContact CB-CG 3.81Å; L64-M69 HydrophobicContact CD1-CG 4.17Å; L64-M69 HydrophobicContact CD1-SD 4.22Å; K65-M69 WeakPolarHBondContact O-CG 3.47Å; K65-M69 PolarHBondContact O-N 3.46Å; Y66-M69 PolarHBondContact O-N 3Å; E67-M69 VanDerWaalsContact C-N 3.31Å; M69-M71 VanDerWaalsContact C-N 3.34Å; M69-E72 HydrophobicContact CE-CB 4.26Å; M69-E72 HydrophobicContact CE-CG 4.35Å; M69-E72 PolarHBondContact O-N 3.28Å; M69-K73 WeakPolarHBondContact O-CB 3.41Å; M69-K73 PolarHBondContact O-N 2.73Å; M69-F161 HydrophobicContact CE-CE2 4.2Å
70I93.8Very high92.4Very high76 Ų7664.5 Ų64.539%0.3934%0.342SS..Hα-helixtrans-62.2-44.3170.2-74.2168.5000110.6F55 Y66 E67 K73 K74F55-I70 HydrophobicContact CE1-CG1 3.99Å; Y66-I70 HydrophobicContact CD1-CD1 3.81Å; Y66-I70 HydrophobicContact CE1-CD1 3.32Å; Y66-I70 HydrophobicContact CE1-CG1 4.26Å; Y66-I70 HydrophobicContact CE2-CD1 4.31Å; Y66-I70 HydrophobicContact CE2-CG1 4.44Å; Y66-I70 HydrophobicContact CG-CD1 4.49Å; Y66-I70 WeakPolarHBondContact O-CG1 3.39Å; Y66-I70 PolarHBondContact O-N 3.02Å; E67-I70 PolarHBondContact O-N 3.33Å; I70-K73 PolarHBondContact O-N 2.95Å; I70-K74 PolarHBondContact O-N 3Å
71M93.5Very high92.4Very high106 Ų10664.1 Ų64.152%0.52234%0.339SS..Hα-helixtrans-64.7-44178.2-65.9-173-71.200110.9E67 E68 M69 K73 K74 D75E67-M71 PolarHBondContact O-N 3.48Å; E68-M71 HydrophobicContact CG-CE 4.42Å; E68-M71 PolarHBondContact O-N 3.03Å; M69-M71 VanDerWaalsContact C-N 3.34Å; M71-K73 VanDerWaalsContact C-N 3.34Å; M71-K73 PolarHBondContact O-N 3.13Å; M71-K74 PolarHBondContact O-N 3.26Å; M71-D75 PolarHBondContact O-N 3.45Å
72E94.2Very high92.4Very high6 Ų664.3 Ų64.33%0.02835%0.354CS..Hα-helixtrans-59.9-43.8176.2-174.761.1-159.300112.2E68 M69 K74 D75 R76 K102 F161E68-E72 PolarHBondContact O-N 2.85Å; M69-E72 HydrophobicContact CE-CB 4.26Å; M69-E72 HydrophobicContact CE-CG 4.35Å; M69-E72 PolarHBondContact O-N 3.28Å; E72-K74 PolarHBondContact O-N 3.03Å; E72-D75 PolarHBondContact O-N 3.45Å; E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 PolarHBondContact O-N 2.9Å; E72-R76 IonicContact OE1-CZ 2.61Å; E72-R76 VanDerWaalsContact OE1-CZ 3.29Å; E72-R76 IonicContact OE1-NE 2.93Å; E72-R76 PolarHBondContact OE1-NE 3.21Å; E72-R76 IonicContact OE1-NH2 3.9Å; E72-R76 PolarHBondContact OE1-NH2 3.38Å; E72-K102 IonicContact OE2-NZ 2.73Å; E72-K102 PolarHBondContact OE2-NZ 3.25Å; E72-F161 HydrophobicContact CG-CB 4.39Å; E72-F161 HydrophobicContact CG-CD2 3.69Å; E72-F161 HydrophobicContact CG-CE2 4.23Å; E72-F161 HydrophobicContact CG-CG 4.25Å
73K93.8Very high92.6Very high23 Ų2368.8 Ų68.810%0.138%0.379CS..Hα-helixtrans-57.1-50.8175.6-178.7176.6177.2-169.20111.1L9 D12 N17 F55 M69 I70 M71 D75 R76 E77L9-K73 HydrophobicContact CD2-CB 3.84Å; L9-K73 HydrophobicContact CD2-CD 4.06Å; L9-K73 HydrophobicContact CD2-CG 3.92Å; D12-K73 VanDerWaalsContact CG-NZ 3.33Å; D12-K73 IonicContact OD1-NZ 3.57Å; D12-K73 IonicContact OD2-NZ 3.86Å; D12-K73 PolarHBondContact OD2-NZ 3.38Å; N17-K73 WeakPolarHBondContact OD1-CE 3.39Å; N17-K73 PolarHBondContact OD1-NZ 3.39Å; F55-K73 HydrophobicContact CE1-CD 4.44Å; M69-K73 WeakPolarHBondContact O-CB 3.41Å; M69-K73 PolarHBondContact O-N 2.73Å; I70-K73 PolarHBondContact O-N 2.95Å; M71-K73 VanDerWaalsContact C-N 3.34Å; M71-K73 PolarHBondContact O-N 3.13Å; K73-D75 VanDerWaalsContact C-N 3.34Å; K73-D75 PolarHBondContact O-N 3.02Å; K73-R76 PolarHBondContact O-N 2.94Å; K73-E77 WeakPolarHBondContact CE-OE1 3.46Å; K73-E77 IonicContact NZ-OE1 2.71Å; K73-E77 WeakPolarHBondContact O-CG 3.34Å; K73-E77 PolarHBondContact O-N 2.95Å
74K92.8Very high92.8Very high131 Ų13166.6 Ų66.657%0.5735%0.354SS*.Hα-helixtrans-60.5-42.3179.3-176.3179.4178.9-178.40112.3I70 M71 E72 R76 E77 N78I70-K74 PolarHBondContact O-N 3Å; M71-K74 PolarHBondContact O-N 3.26Å; E72-K74 PolarHBondContact O-N 3.03Å; K74-R76 VanDerWaalsContact C-N 3.31Å; K74-R76 PolarHBondContact O-N 3.46Å; K74-E77 PolarHBondContact O-N 3.28Å; K74-N78 VanDerWaalsContact O-CG 3.32Å; K74-N78 PolarHBondContact O-N 3.14Å; K74-N78 PolarHBondContact O-ND2 3.03Å
75D94.1Very high93Very high24 Ų2468.1 Ų68.113%0.12836%0.364CS..Hα-helixtrans-62.1-41.1177.8-70.6-16.8000111.5M71 E72 K73 N78 M79 S84 S99 Q101 K102M71-D75 PolarHBondContact O-N 3.45Å; E72-D75 PolarHBondContact O-N 3.45Å; K73-D75 VanDerWaalsContact C-N 3.34Å; K73-D75 PolarHBondContact O-N 3.02Å; D75-N78 PolarHBondContact O-N 3.38Å; D75-M79 PolarHBondContact O-N 3.28Å; D75-S84 PolarHBondContact O-OG 3.39Å; D75-S99 VanDerWaalsContact CB-CB 3.48Å; D75-S99 WeakPolarHBondContact CB-OG 3.33Å; D75-S99 PolarHBondContact OD2-OG 3.33Å; D75-Q101 HydrophobicContact CB-CB 4.39Å; D75-K102 IonicContact OD2-NZ 3.59Å; D75-K102 PolarHBondContact OD2-NZ 3.44Å
76R92.1Very high93.2Very high59 Ų5971.7 Ų71.722%0.22338%0.38CS..Hα-helixtrans-70.6-35.7178.4-72-177.1-179.3-100.1-15.6113E6 E72 K73 K74 M79 A80 S97 F161E6-R76 IonicContact OE1-CZ 3.96Å; E6-R76 IonicContact OE1-NH1 3.29Å; E6-R76 PolarHBondContact OE1-NH1 3.49Å; E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 PolarHBondContact O-N 2.9Å; E72-R76 IonicContact OE1-CZ 2.61Å; E72-R76 VanDerWaalsContact OE1-CZ 3.29Å; E72-R76 IonicContact OE1-NE 2.93Å; E72-R76 PolarHBondContact OE1-NE 3.21Å; E72-R76 IonicContact OE1-NH2 3.9Å; E72-R76 PolarHBondContact OE1-NH2 3.38Å; K73-R76 PolarHBondContact O-N 2.94Å; K74-R76 VanDerWaalsContact C-N 3.31Å; K74-R76 PolarHBondContact O-N 3.46Å; R76-M79 WeakPolarHBondContact O-CB 3.17Å; R76-M79 PolarHBondContact O-N 3.46Å; R76-A80 PolarHBondContact O-N 2.97Å; R76-S97 PolarHBondContact NH2-O 3.42Å; R76-F161 VanDerWaalsContact NH2-CE1 3.33Å
77E91.8Very high93.3Very high50 Ų5069.3 Ų69.323%0.23437%0.374CS..Hα-helixtrans-62-47.8172-72.6171.8164.500111.1N17 K73 K74 M79 A80 V81N17-E77 PolarHBondContact ND2-OE1 3.45Å; N17-E77 PolarHBondContact OD1-OE1 2.81Å; K73-E77 WeakPolarHBondContact CE-OE1 3.46Å; K73-E77 IonicContact NZ-OE1 2.71Å; K73-E77 WeakPolarHBondContact O-CG 3.34Å; K73-E77 PolarHBondContact O-N 2.95Å; K74-E77 PolarHBondContact O-N 3.28Å; E77-M79 PolarHBondContact O-N 3.06Å; E77-A80 WeakPolarHBondContact O-CB 3.26Å; E77-A80 PolarHBondContact O-N 3.44Å; E77-A80 VanDerWaalsContact O-N 3.1Å; E77-V81 WeakPolarHBondContact O-CG2 3.48Å; E77-V81 PolarHBondContact O-N 3.41Å; E77-V81 VanDerWaalsContact O-N 3.09Å
78N93Very high93.6Very high49 Ų4966.2 Ų66.226%0.26236%0.362SS..Hα-helixtrans-57.7-37.8174.7-72-24000111.8K74 D75 V81 G82 L83 S84K74-N78 VanDerWaalsContact O-CG 3.32Å; K74-N78 PolarHBondContact O-N 3.14Å; K74-N78 PolarHBondContact O-ND2 3.03Å; D75-N78 PolarHBondContact O-N 3.38Å; N78-V81 PolarHBondContact O-N 3.22Å; N78-G82 PolarHBondContact O-N 2.85Å; N78-G82 VanDerWaalsContact O-N 3.14Å; N78-L83 HydrophobicContact CB-CB 4.27Å; N78-L83 PolarHBondContact O-N 3.46Å; N78-S84 PolarHBondContact O-N 3.33Å
79M91.7Very high93.8Very high94 Ų9470.1 Ų70.146%0.46340%0.395SS..Hα-helixtrans-65.9-43.1176.4178.7172.6-179.100111.5D75 R76 E77 V81 G82 S84 L100D75-M79 PolarHBondContact O-N 3.28Å; R76-M79 WeakPolarHBondContact O-CB 3.17Å; R76-M79 PolarHBondContact O-N 3.46Å; E77-M79 PolarHBondContact O-N 3.06Å; M79-V81 VanDerWaalsContact C-N 3.29Å; M79-V81 PolarHBondContact O-N 2.74Å; M79-G82 PolarHBondContact O-N 3.03Å; M79-G82 VanDerWaalsContact O-N 3.13Å; M79-S84 WeakPolarHBondContact CA-OG 3.44Å; M79-S84 WeakPolarHBondContact CB-OG 3.35Å; M79-S84 PolarHBondContact N-OG 3.33Å; M79-L100 HydrophobicContact CE-CD1 3.95Å; M79-L100 HydrophobicContact CE-CG 3.97Å; M79-L100 HydrophobicContact CG-CD1 3.85Å; M79-L100 HydrophobicContact CG-CG 4.33Å; M79-L100 HydrophobicContact SD-CB 4.48Å; M79-L100 HydrophobicContact SD-CD1 3.98Å; M79-L100 HydrophobicContact SD-CG 3.84Å
80A89.1Confident94Very high90 Ų9073.2 Ų73.274%0.74441%0.411SS*.Hα-helixtrans-63.7-33.2179.200000112.9R76 E77R76-A80 PolarHBondContact O-N 2.97Å; E77-A80 WeakPolarHBondContact O-CB 3.26Å; E77-A80 PolarHBondContact O-N 3.44Å; E77-A80 VanDerWaalsContact O-N 3.1Å
81V91.9Very high94.2Very high101 Ų10170.2 Ų70.261%0.61240%0.396SS*.THydrogen-bonded Turntrans-92.86.5176.1-59.30000113.9E77 N78 M79 L83E77-V81 WeakPolarHBondContact O-CG2 3.48Å; E77-V81 PolarHBondContact O-N 3.41Å; E77-V81 VanDerWaalsContact O-N 3.09Å; N78-V81 PolarHBondContact O-N 3.22Å; M79-V81 VanDerWaalsContact C-N 3.29Å; M79-V81 PolarHBondContact O-N 2.74Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 HydrophobicContact CG2-CB 4.15Å; V81-L83 HydrophobicContact CG2-CD1 3.64Å; V81-L83 HydrophobicContact CG2-CG 3.69Å; V81-L83 PolarHBondContact O-N 3.3Å
82G93.1Very high94.4Very high65 Ų6568.3 Ų68.367%0.6739%0.39SS*.THydrogen-bonded Turntrans72.620.1176.100000115.2N78 M79N78-G82 PolarHBondContact O-N 2.85Å; N78-G82 VanDerWaalsContact O-N 3.14Å; M79-G82 PolarHBondContact O-N 3.03Å; M79-G82 VanDerWaalsContact O-N 3.13Å
83L94.1Very high94.6Very high130 Ų13070.6 Ų70.668%0.68140%0.402SS*.  trans-91.4-9.1177.6-66.1178.5000113.5N78 V81N78-L83 HydrophobicContact CB-CB 4.27Å; N78-L83 PolarHBondContact O-N 3.46Å; V81-L83 VanDerWaalsContact C-N 3.33Å; V81-L83 HydrophobicContact CG2-CB 4.15Å; V81-L83 HydrophobicContact CG2-CD1 3.64Å; V81-L83 HydrophobicContact CG2-CG 3.69Å; V81-L83 PolarHBondContact O-N 3.3Å
84S94.1Very high94.7Very high16 Ų1673.5 Ų73.511%0.11242%0.415CS..SBendtrans-73.8140.5178.9-65.50000112.5D75 N78 M79D75-S84 PolarHBondContact O-OG 3.39Å; N78-S84 PolarHBondContact O-N 3.33Å; M79-S84 WeakPolarHBondContact CA-OG 3.44Å; M79-S84 WeakPolarHBondContact CB-OG 3.35Å; M79-S84 PolarHBondContact N-OG 3.33Å
85P95.3Very high94.8Very high47 Ų4769.9 Ų69.931%0.30541%0.406SS..  trans-65.8160.6171.631-35.5000110.7L100 V104P85-L100 WeakPolarHBondContact O-CB 3.28Å; P85-V104 HydrophobicContact CB-CB 4.43Å; P85-V104 HydrophobicContact CB-CG1 4.31Å; P85-V104 HydrophobicContact CB-CG2 3.83Å; P85-V104 HydrophobicContact CG-CB 4.13Å; P85-V104 HydrophobicContact CG-CG1 4.33Å; P85-V104 HydrophobicContact CG-CG2 3.8Å
86K95Very high94.9Very high169 Ų16971.1 Ų71.174%0.73542%0.415SS*.  trans-111.2146.6174.3-65.4-179.2-178.3178.10109.5V104K86-V104 WeakPolarHBondContact O-CG2 3.39Å
87P97.1Very high95Very high28 Ų2869.2 Ų69.218%0.18241%0.41CS..  trans-55.2152.5170.1-25.535000111I91 I93 Q103 V104P87-I91 HydrophobicContact CB-CB 4.45Å; P87-I93 HydrophobicContact CG-CD1 4.36Å; P87-I93 HydrophobicContact CG-CG1 4.33Å; P87-Q103 HydrophobicContact CG-CB 4.01Å; P87-V104 HydrophobicContact CG-CG2 4.28Å
88D97.8Very high95.3Very high66 Ų6667.2 Ų67.235%0.35340%0.401SS..  trans-57.3149176.5-75-13.1000111.2D90 I91 K111D88-D90 WeakPolarHBondContact CB-OD1 3.41Å; D88-D90 PolarHBondContact O-N 3.05Å; D88-D90 VanDerWaalsContact O-N 3.14Å; D88-I91 HydrophobicContact CB-CD1 3.99Å; D88-I91 HydrophobicContact CB-CG1 4.07Å; D88-I91 WeakPolarHBondContact O-CB 3.39Å; D88-I91 PolarHBondContact O-N 3.17Å; D88-K111 IonicContact OD2-NZ 2.66Å; D88-K111 PolarHBondContact OD2-NZ 2.95Å
89S97.2Very high95.4Very high132 Ų13265 Ų6592%0.92339%0.389SS*.THydrogen-bonded Turntrans-66.9-16.1-174.456.90000114.5I91S89-I91 VanDerWaalsContact C-N 3.27Å
90D97.9Very high95.7Very high75 Ų7561.9 Ų61.940%0.40138%0.375SS..THydrogen-bonded Turntrans-872.9174.157.3-2.2000112.9D88 K111 Y168D88-D90 WeakPolarHBondContact CB-OD1 3.41Å; D88-D90 PolarHBondContact O-N 3.05Å; D88-D90 VanDerWaalsContact O-N 3.14Å; D90-K111 IonicContact OD1-NZ 2.8Å; D90-K111 PolarHBondContact OD1-NZ 2.99Å; D90-K111 WeakPolarHBondContact OD2-CE 3.14Å; D90-K111 IonicContact OD2-NZ 3.05Å; D90-K111 PolarHBondContact OD2-NZ 3.17Å; D90-Y168 WeakPolarHBondContact OD2-CE2 3.41Å
91I98.5Very high96Very high14 Ų1461.2 Ų61.27%0.07236%0.356CS..  trans-104.5119.6178.4-54.3-174.1000108.7P87 D88 S89 I93 T107 K111 F166 M167 Y168P87-I91 HydrophobicContact CB-CB 4.45Å; D88-I91 HydrophobicContact CB-CD1 3.99Å; D88-I91 HydrophobicContact CB-CG1 4.07Å; D88-I91 WeakPolarHBondContact O-CB 3.39Å; D88-I91 PolarHBondContact O-N 3.17Å; S89-I91 VanDerWaalsContact C-N 3.27Å; I91-I93 HydrophobicContact CG2-CD1 3.94Å; I91-T107 VanDerWaalsContact CD1-CB 3.46Å; I91-T107 HydrophobicContact CD1-CG2 4.37Å; I91-T107 HydrophobicContact CG2-CG2 3.82Å; I91-K111 HydrophobicContact CD1-CD 4.39Å; I91-F166 HydrophobicContact CG2-CB 4.13Å; I91-F166 HydrophobicContact CG2-CD2 3.88Å; I91-F166 HydrophobicContact CG2-CG 4.32Å; I91-M167 WeakPolarHBondContact CA-O 3.37Å; I91-Y168 HydrophobicContact CG1-CD2 4.33Å
92T97.9Very high96.3Very high65 Ų6557 Ų5740%0.39933%0.329SS..EExtended strand (participates in β ladder)trans-97.7108.7175.1-58.30000109.2F94 F166 M167T92-F94 HydrophobicContact CG2-CE1 4.14Å; T92-F94 HydrophobicContact CG2-CZ 4.22Å; T92-F166 CarbonylContact O-C 3.43Å; T92-F166 WeakPolarHBondContact O-CA 3.39Å; T92-F166 WeakPolarHBondContact O-CB 3.37Å; T92-M167 HydrophobicContact CG2-CE 4.41Å; T92-M167 PolarHBondContact N-O 2.7Å; T92-M167 PolarHBondContact O-N 3.26Å
93I97.7Very high96.6Very high54 Ų5454.8 Ų54.828%0.27730%0.302SS..EExtended strand (participates in β ladder)trans-79.1123.1171.1-53-57.4000108.9P87 I91 T96 T107 I164 F166P87-I93 HydrophobicContact CG-CD1 4.36Å; P87-I93 HydrophobicContact CG-CG1 4.33Å; I91-I93 HydrophobicContact CG2-CD1 3.94Å; I93-T96 HydrophobicContact CG2-CG2 3.94Å; I93-T107 HydrophobicContact CD1-CG2 4.02Å; I93-I164 HydrophobicContact CD1-CD1 4.16Å; I93-F166 HydrophobicContact CD1-CB 3.61Å; I93-F166 HydrophobicContact CD1-CG 4.45Å
94F95.6Very high96.8Very high85 Ų8549.3 Ų49.337%0.37327%0.273SS..EExtended strand (participates in β ladder)trans-92.1-43.5175.3-68.8-70.6000112.1T92 E165 M167 R172T92-F94 HydrophobicContact CG2-CE1 4.14Å; T92-F94 HydrophobicContact CG2-CZ 4.22Å; F94-E165 HydrophobicContact CB-CB 4.36Å; F94-E165 HydrophobicContact CB-CG 4.03Å; F94-E165 HydrophobicContact CD2-CG 4.21Å; F94-E165 PolarHBondContact N-O 2.65Å; F94-M167 HydrophobicContact CD2-CB 4.46Å; F94-M167 HydrophobicContact CE2-CB 3.52Å; F94-M167 HydrophobicContact CE2-CE 4.36Å; F94-M167 HydrophobicContact CE2-SD 4.42Å; F94-M167 HydrophobicContact CZ-CB 4.13Å; F94-M167 HydrophobicContact CZ-CE 3.81Å; F94-M167 HydrophobicContact CZ-SD 4.21Å; F94-R172 HydrophobicContact CD2-CG 4.41Å; F94-R172 HydrophobicContact CE2-CG 4.16Å
95S95.4Very high97Very high54 Ų5449.9 Ų49.938%0.37828%0.275SS..EExtended strand (participates in β ladder)trans-15514717967.40000110.1E165S95-E165 PolarHBondContact N-O 3.03Å; S95-E165 PolarHBondContact O-N 3.27Å; S95-E165 VanDerWaalsContact OG-CB 3.28Å; S95-E165 WeakPolarHBondContact OG-CB 3.41Å; S95-E165 PolarHBondContact OG-OE2 3.4Å
96T96.5Very high97.1Very high51 Ų5147.7 Ų47.731%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-164.5147.5174.6-171.70000111.4I93 M98 Q103 A163I93-T96 HydrophobicContact CG2-CG2 3.94Å; T96-M98 WeakPolarHBondContact OG1-CB 3.42Å; T96-M98 PolarHBondContact OG1-N 3.25Å; T96-Q103 HydrophobicContact CG2-CG 4.29Å; T96-A163 VanDerWaalsContact CA-O 3.31Å; T96-A163 WeakPolarHBondContact CA-O 3.35Å; T96-A163 PolarHBondContact OG1-O 3.33Å
97S95.4Very high97.3Very high19 Ų1939.6 Ų39.613%0.13323%0.226CC..  trans-104.7-4.4165.158.10000112.7E2 R76 H158 F161 L162 A163E2-S97 VanDerWaalsContact OE1-CB 3.26Å; E2-S97 WeakPolarHBondContact OE1-CB 3.43Å; E2-S97 PolarHBondContact OE1-OG 3.25Å; R76-S97 PolarHBondContact NH2-O 3.42Å; S97-H158 PolarHBondContact OG-NE2 3.34Å; S97-F161 WeakPolarHBondContact O-CA 3.47Å; S97-F161 WeakPolarHBondContact O-CD1 3.28Å; S97-F161 WeakPolarHBondContact OG-CA 3.28Å; S97-L162 PolarHBondContact OG-N 2.95Å; S97-A163 PolarHBondContact N-O 2.96Å; S97-A163 PolarHBondContact OG-N 3.15Å
98M96.5Very high97.4Very high7 Ų740.4 Ų40.43%0.03423%0.229CC..SBendtrans-78.1150.9-173.9-68177.8-177.100113.3T96 K102 Q103 I106 W143 F161 L162 I164T96-M98 WeakPolarHBondContact OG1-CB 3.42Å; T96-M98 PolarHBondContact OG1-N 3.25Å; M98-K102 HydrophobicContact CB-CB 4.03Å; M98-K102 HydrophobicContact CG-CB 4.38Å; M98-K102 HydrophobicContact SD-CB 4.19Å; M98-Q103 HydrophobicContact CB-CG 4.11Å; M98-Q103 PolarHBondContact O-NE2 3.13Å; M98-I106 HydrophobicContact CE-CD1 3.56Å; M98-I106 HydrophobicContact SD-CD1 3.48Å; M98-I106 WeakPolarHBondContact SD-CD1 3.26Å; M98-W143 HydrophobicContact CE-CH2 3.53Å; M98-W143 HydrophobicContact CE-CZ3 3.57Å; M98-F161 WeakPolarHBondContact CA-O 3.3Å; M98-F161 WeakPolarHBondContact CG-O 3.31Å; M98-L162 VanDerWaalsContact CE-C 3.48Å; M98-I164 HydrophobicContact CE-CB 4.05Å; M98-I164 HydrophobicContact CE-CG2 3.73Å; M98-I164 HydrophobicContact SD-CB 3.71Å; M98-I164 HydrophobicContact SD-CD1 4.43Å; M98-I164 HydrophobicContact SD-CG2 3.76Å
99S95.9Very high97.4Very high2 Ų239 Ų391%0.01422%0.22CC..  trans-58.3151.7165.174.60000111.9D75 Q101 K102 Q103D75-S99 VanDerWaalsContact CB-CB 3.48Å; D75-S99 WeakPolarHBondContact CB-OG 3.33Å; D75-S99 PolarHBondContact OD2-OG 3.33Å; S99-Q101 PolarHBondContact O-N 2.95Å; S99-Q101 VanDerWaalsContact O-N 3.17Å; S99-K102 PolarHBondContact O-N 3.34Å; S99-K102 PolarHBondContact OG-N 2.86Å; S99-Q103 WeakPolarHBondContact O-CG 3.39Å; S99-Q103 PolarHBondContact O-N 2.98Å
100L96.9Very high97.5Very high30 Ų3032.8 Ų32.816%0.15718%0.177CC..Hα-helixtrans-54.9-36.1177.6-80.8178.8000112.7M79 P85 K102 Q103 V104M79-L100 HydrophobicContact CE-CD1 3.95Å; M79-L100 HydrophobicContact CE-CG 3.97Å; M79-L100 HydrophobicContact CG-CD1 3.85Å; M79-L100 HydrophobicContact CG-CG 4.33Å; M79-L100 HydrophobicContact SD-CB 4.48Å; M79-L100 HydrophobicContact SD-CD1 3.98Å; M79-L100 HydrophobicContact SD-CG 3.84Å; P85-L100 WeakPolarHBondContact O-CB 3.28Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 2.77Å; L100-Q103 PolarHBondContact O-N 2.93Å; L100-V104 VanDerWaalsContact O-CG2 3.31Å; L100-V104 WeakPolarHBondContact O-CG2 2.97Å; L100-V104 PolarHBondContact O-N 2.92Å
101Q96.8Very high97.5Very high75 Ų7530.7 Ų30.735%0.3516%0.164SC..Hα-helixtrans-61.7-41.6178.1-175.758.171.700112.3D75 S99 D105D75-Q101 HydrophobicContact CB-CB 4.39Å; S99-Q101 PolarHBondContact O-N 2.95Å; S99-Q101 VanDerWaalsContact O-N 3.17Å; Q101-D105 WeakPolarHBondContact O-CB 3.41Å; Q101-D105 PolarHBondContact O-N 2.87Å
102K97.6Very high97.4Very high12 Ų1235.9 Ų35.95%0.05219%0.188CC..Hα-helixtrans-72.3-36.9175.5-71.8-177-176.973.10112E72 D75 M98 S99 L100 D105 I106 Y139 L162E72-K102 IonicContact OE2-NZ 2.73Å; E72-K102 PolarHBondContact OE2-NZ 3.25Å; D75-K102 IonicContact OD2-NZ 3.59Å; D75-K102 PolarHBondContact OD2-NZ 3.44Å; M98-K102 HydrophobicContact CB-CB 4.03Å; M98-K102 HydrophobicContact CG-CB 4.38Å; M98-K102 HydrophobicContact SD-CB 4.19Å; S99-K102 PolarHBondContact O-N 3.34Å; S99-K102 PolarHBondContact OG-N 2.86Å; L100-K102 VanDerWaalsContact C-N 3.35Å; L100-K102 PolarHBondContact O-N 2.77Å; K102-D105 PolarHBondContact O-N 3.15Å; K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.33Å; K102-Y139 HydrophobicContact CD-CE1 4.33Å; K102-Y139 HydrophobicContact CG-CE1 4.08Å; K102-L162 HydrophobicContact CD-CD2 4.17Å
103Q98.5Very high97.4Very high19 Ų1933.2 Ų33.29%0.08917%0.172CC..Hα-helixtrans-56.7-54.7174.6-65.2173.939.200110.2P87 T96 M98 S99 L100 D105 I106 T107 I164P87-Q103 HydrophobicContact CG-CB 4.01Å; T96-Q103 HydrophobicContact CG2-CG 4.29Å; M98-Q103 HydrophobicContact CB-CG 4.11Å; M98-Q103 PolarHBondContact O-NE2 3.13Å; S99-Q103 WeakPolarHBondContact O-CG 3.39Å; S99-Q103 PolarHBondContact O-N 2.98Å; L100-Q103 PolarHBondContact O-N 2.93Å; Q103-D105 VanDerWaalsContact C-N 3.3Å; Q103-D105 PolarHBondContact O-N 2.78Å; Q103-I106 PolarHBondContact O-N 2.83Å; Q103-T107 WeakPolarHBondContact O-CB 3.45Å; Q103-T107 WeakPolarHBondContact O-CG2 3.45Å; Q103-T107 PolarHBondContact O-N 2.91Å; Q103-T107 PolarHBondContact O-OG1 3.17Å; Q103-I164 HydrophobicContact CB-CD1 4.01Å; Q103-I164 HydrophobicContact CG-CD1 3.86Å
104V98.4Very high97.4Very high15 Ų1530.9 Ų30.99%0.09116%0.16CC..Hα-helixtrans-56.3-45177.9175.80000111.7P85 K86 P87 L100 I106 T107 N108P85-V104 HydrophobicContact CB-CB 4.43Å; P85-V104 HydrophobicContact CB-CG1 4.31Å; P85-V104 HydrophobicContact CB-CG2 3.83Å; P85-V104 HydrophobicContact CG-CB 4.13Å; P85-V104 HydrophobicContact CG-CG1 4.33Å; P85-V104 HydrophobicContact CG-CG2 3.8Å; K86-V104 WeakPolarHBondContact O-CG2 3.39Å; P87-V104 HydrophobicContact CG-CG2 4.28Å; L100-V104 VanDerWaalsContact O-CG2 3.31Å; L100-V104 WeakPolarHBondContact O-CG2 2.97Å; L100-V104 PolarHBondContact O-N 2.92Å; V104-I106 PolarHBondContact O-N 2.98Å; V104-T107 PolarHBondContact O-OG1 2.63Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.48Å; V104-N108 WeakPolarHBondContact O-CB 3.27Å; V104-N108 PolarHBondContact O-N 2.71Å; V104-N108 PolarHBondContact O-OD1 3.49Å
105D98.3Very high97.5Very high28 Ų2831.7 Ų31.715%0.1517%0.168CC..Hα-helixtrans-59.2-49.8-178.8-171.762.6000112.9Q101 K102 Q103 M109 Y134 K138 Y139Q101-D105 WeakPolarHBondContact O-CB 3.41Å; Q101-D105 PolarHBondContact O-N 2.87Å; K102-D105 PolarHBondContact O-N 3.15Å; Q103-D105 VanDerWaalsContact C-N 3.3Å; Q103-D105 PolarHBondContact O-N 2.78Å; D105-M109 WeakPolarHBondContact O-CB 3.36Å; D105-M109 PolarHBondContact O-N 3.27Å; D105-Y134 PolarHBondContact OD1-OH 3.02Å; D105-Y134 WeakPolarHBondContact OD2-CE1 3.44Å; D105-Y134 PolarHBondContact OD2-OH 3.48Å; D105-K138 IonicContact OD1-NZ 3.39Å; D105-K138 PolarHBondContact OD1-NZ 3Å; D105-K138 WeakPolarHBondContact OD2-CD 3.31Å; D105-K138 VanDerWaalsContact OD2-CE 3.31Å; D105-K138 WeakPolarHBondContact OD2-CE 3.46Å; D105-K138 IonicContact OD2-NZ 2.68Å; D105-K138 PolarHBondContact OD2-NZ 3.32Å; D105-Y139 WeakPolarHBondContact OD2-CE2 3.38Å; D105-Y139 PolarHBondContact OD2-OH 3.4Å
106I98.7Very high97.6Very high1 Ų134.6 Ų34.61%0.00518%0.183CC..Hα-helixtrans-72.1-40.4-176.3-66.1176.7000110.8M98 K102 Q103 V104 M109 F110 M131 L135 Y139 I164 F166 I175M98-I106 HydrophobicContact CE-CD1 3.56Å; M98-I106 HydrophobicContact SD-CD1 3.48Å; M98-I106 WeakPolarHBondContact SD-CD1 3.26Å; K102-I106 WeakPolarHBondContact O-CG1 3.31Å; K102-I106 PolarHBondContact O-N 3.33Å; Q103-I106 PolarHBondContact O-N 2.83Å; V104-I106 PolarHBondContact O-N 2.98Å; I106-M109 PolarHBondContact O-N 3.45Å; I106-F110 PolarHBondContact O-N 3.1Å; I106-M131 HydrophobicContact CG2-CE 4.04Å; I106-L135 HydrophobicContact CD1-CD2 3.64Å; I106-L135 HydrophobicContact CG1-CD2 3.7Å; I106-Y139 HydrophobicContact CD1-CE2 4.47Å; I106-Y139 HydrophobicContact CG1-CE2 4.29Å; I106-I164 HydrophobicContact CD1-CG2 4.38Å; I106-I164 HydrophobicContact CG2-CG2 4.18Å; I106-F166 HydrophobicContact CG2-CE1 4.11Å; I106-I175 HydrophobicContact CG2-CD1 3.83Å
107T98.8Very high97.6Very high0 Ų036.3 Ų36.30%019%0.187CC..Hα-helixtrans-69.2-38.1-179.262.60000111.5I91 I93 Q103 V104 F110 K111 I164 F166I91-T107 VanDerWaalsContact CD1-CB 3.46Å; I91-T107 HydrophobicContact CD1-CG2 4.37Å; I91-T107 HydrophobicContact CG2-CG2 3.82Å; I93-T107 HydrophobicContact CD1-CG2 4.02Å; Q103-T107 WeakPolarHBondContact O-CB 3.45Å; Q103-T107 WeakPolarHBondContact O-CG2 3.45Å; Q103-T107 PolarHBondContact O-N 2.91Å; Q103-T107 PolarHBondContact O-OG1 3.17Å; V104-T107 PolarHBondContact O-OG1 2.63Å; T107-F110 PolarHBondContact O-N 2.87Å; T107-K111 VanDerWaalsContact O-CB 3.31Å; T107-K111 WeakPolarHBondContact O-CB 3.22Å; T107-K111 PolarHBondContact O-N 2.96Å; T107-I164 HydrophobicContact CG2-CD1 4.09Å; T107-F166 HydrophobicContact CG2-CD1 4.02Å; T107-F166 HydrophobicContact CG2-CD2 4.01Å; T107-F166 HydrophobicContact CG2-CE1 4.14Å; T107-F166 HydrophobicContact CG2-CE2 4.12Å; T107-F166 HydrophobicContact CG2-CG 3.94Å; T107-F166 HydrophobicContact CG2-CZ 4.19Å
108N98.5Very high97.6Very high44 Ų4439 Ų3924%0.23519%0.194CC..Hα-helixtrans-68.4-43.2175.7-70.63.2000111.2V104 F110 K111 E112V104-N108 WeakPolarHBondContact CG1-ND2 3.48Å; V104-N108 WeakPolarHBondContact O-CB 3.27Å; V104-N108 PolarHBondContact O-N 2.71Å; V104-N108 PolarHBondContact O-OD1 3.49Å; N108-F110 VanDerWaalsContact C-N 3.3Å; N108-F110 PolarHBondContact O-N 2.92Å; N108-K111 PolarHBondContact O-N 2.83Å; N108-E112 WeakPolarHBondContact O-CB 3.23Å; N108-E112 WeakPolarHBondContact O-CG 3.49Å; N108-E112 PolarHBondContact O-N 2.82Å
109M98.2Very high97.6Very high37 Ų3744.3 Ų44.318%0.18223%0.227CC..Hα-helixtrans-56.8-44.5174.5177.260-168.800111.5D105 I106 T113 M131 Y134D105-M109 WeakPolarHBondContact O-CB 3.36Å; D105-M109 PolarHBondContact O-N 3.27Å; I106-M109 PolarHBondContact O-N 3.45Å; M109-T113 VanDerWaalsContact CE-OG1 3.28Å; M109-T113 WeakPolarHBondContact CE-OG1 3.32Å; M109-T113 VanDerWaalsContact O-CB 3.27Å; M109-T113 WeakPolarHBondContact O-CB 3.35Å; M109-T113 PolarHBondContact O-N 3.05Å; M109-T113 PolarHBondContact O-OG1 2.91Å; M109-M131 HydrophobicContact CB-SD 4.24Å; M109-M131 HydrophobicContact CG-CE 4.43Å; M109-M131 HydrophobicContact CG-SD 3.59Å; M109-M131 VanDerWaalsContact CG-SD 3.59Å; M109-Y134 HydrophobicContact CB-CD1 4.25Å; M109-Y134 HydrophobicContact CB-CE1 4.01Å; M109-Y134 HydrophobicContact CE-CD2 4.37Å; M109-Y134 HydrophobicContact CE-CG 4.13Å; M109-Y134 HydrophobicContact CG-CD1 3.68Å; M109-Y134 HydrophobicContact CG-CD2 4.39Å; M109-Y134 HydrophobicContact CG-CE1 3.93Å; M109-Y134 HydrophobicContact CG-CG 3.92Å; M109-Y134 HydrophobicContact SD-CD1 4.45Å; M109-Y134 HydrophobicContact SD-CD2 4.12Å; M109-Y134 HydrophobicContact SD-CE2 4.4Å; M109-Y134 HydrophobicContact SD-CG 4.13Å
110F98.7Very high97.5Very high1 Ų147.8 Ų47.80%0.00425%0.246CC..Hα-helixtrans-63.3-49.2176.1178.6-108.6000112I106 T107 N108 E112 T113 L114 I127 M131 I147 F166 Y168 F171 C173I106-F110 PolarHBondContact O-N 3.1Å; T107-F110 PolarHBondContact O-N 2.87Å; N108-F110 VanDerWaalsContact C-N 3.3Å; N108-F110 PolarHBondContact O-N 2.92Å; F110-E112 PolarHBondContact O-N 2.94Å; F110-T113 PolarHBondContact O-N 2.8Å; F110-L114 HydrophobicContact CE1-CD2 4.25Å; F110-L114 HydrophobicContact CE2-CD1 4.43Å; F110-L114 HydrophobicContact CZ-CB 4.44Å; F110-L114 HydrophobicContact CZ-CD1 4.1Å; F110-L114 HydrophobicContact CZ-CD2 4.26Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.46Å; F110-L114 PolarHBondContact O-N 2.91Å; F110-I127 HydrophobicContact CD2-CG2 4.21Å; F110-I127 HydrophobicContact CE2-CG2 4.03Å; F110-M131 VanDerWaalsContact CA-SD 3.56Å; F110-M131 HydrophobicContact CB-CE 3.81Å; F110-M131 HydrophobicContact CB-SD 3.93Å; F110-M131 HydrophobicContact CD2-CG 4.4Å; F110-M131 HydrophobicContact CD2-SD 4.35Å; F110-I147 HydrophobicContact CD2-CD1 4.18Å; F110-I147 HydrophobicContact CE2-CD1 3.54Å; F110-I147 HydrophobicContact CE2-CG1 4.03Å; F110-I147 HydrophobicContact CE2-CG2 4.46Å; F110-I147 HydrophobicContact CZ-CG2 4.47Å; F110-F166 HydrophobicContact CB-CE2 4.06Å; F110-F166 HydrophobicContact CB-CZ 3.74Å; F110-F166 AromaticContact CD1-CE2 3.57Å; F110-F166 HydrophobicContact CD1-CE2 3.57Å; F110-F166 HydrophobicContact CD1-CZ 4Å; F110-F166 HydrophobicContact CE1-CE2 4.32Å; F110-F166 AromaticContact CG-CE2 4Å; F110-F166 HydrophobicContact CG-CE2 4Å; F110-F166 AromaticContact CG-CZ 3.94Å; F110-F166 HydrophobicContact CG-CZ 3.94Å; F110-Y168 HydrophobicContact CD1-CD1 4.07Å; F110-Y168 AromaticContact CE1-CD1 3.92Å; F110-Y168 HydrophobicContact CE1-CD1 3.92Å; F110-Y168 HydrophobicContact CE1-CG 4.47Å; F110-F171 HydrophobicContact CE1-CB 4.36Å; F110-F171 HydrophobicContact CZ-CB 3.88Å; F110-F171 HydrophobicContact CZ-CG 4.5Å; F110-C173 VanDerWaalsContact CE1-SG 3.56Å; F110-C173 VanDerWaalsContact CE2-SG 3.51Å; F110-C173 WeakPolarHBondContact CZ-SG 3.45Å
111K98.2Very high97.3Very high32 Ų3253.6 Ų53.614%0.13927%0.272CS..Hα-helixtrans-58.3-48.6-179.4177.1165.7-176.5179.10112.1D88 D90 I91 T107 N108 L114 N115 Y168D88-K111 IonicContact OD2-NZ 2.66Å; D88-K111 PolarHBondContact OD2-NZ 2.95Å; D90-K111 IonicContact OD1-NZ 2.8Å; D90-K111 PolarHBondContact OD1-NZ 2.99Å; D90-K111 WeakPolarHBondContact OD2-CE 3.14Å; D90-K111 IonicContact OD2-NZ 3.05Å; D90-K111 PolarHBondContact OD2-NZ 3.17Å; I91-K111 HydrophobicContact CD1-CD 4.39Å; T107-K111 VanDerWaalsContact O-CB 3.31Å; T107-K111 WeakPolarHBondContact O-CB 3.22Å; T107-K111 PolarHBondContact O-N 2.96Å; N108-K111 PolarHBondContact O-N 2.83Å; K111-L114 PolarHBondContact O-N 3.23Å; K111-N115 VanDerWaalsContact O-CB 3.31Å; K111-N115 WeakPolarHBondContact O-CB 3.14Å; K111-N115 PolarHBondContact O-N 3.32Å; K111-N115 PolarHBondContact O-ND2 3.49Å; K111-Y168 HydrophobicContact CB-CD1 4.24Å; K111-Y168 HydrophobicContact CB-CE1 4.07Å; K111-Y168 HydrophobicContact CD-CD2 4.31Å; K111-Y168 HydrophobicContact CD-CE1 4.49Å; K111-Y168 HydrophobicContact CD-CE2 3.83Å; K111-Y168 HydrophobicContact CG-CD1 4.35Å; K111-Y168 HydrophobicContact CG-CE1 3.76Å; K111-Y168 HydrophobicContact CG-CE2 3.98Å
112E97.6Very high97.2Very high122 Ų12258 Ų5857%0.5729%0.29SS*.Hα-helixtrans-62.3-44.1177.3-71.6176.5-169.400111.5N108 F110 T116N108-E112 WeakPolarHBondContact O-CB 3.23Å; N108-E112 WeakPolarHBondContact O-CG 3.49Å; N108-E112 PolarHBondContact O-N 2.82Å; F110-E112 PolarHBondContact O-N 2.94Å; E112-T116 VanDerWaalsContact O-CB 3.25Å; E112-T116 WeakPolarHBondContact O-CB 3.47Å; E112-T116 PolarHBondContact O-N 2.82Å; E112-T116 PolarHBondContact O-OG1 3.01Å
113T97.9Very high97.2Very high10 Ų1058 Ų586%0.06129%0.291CS..Hα-helixtrans-68.7-41.4-178.8-53.20000111.3M109 F110 T116 K117 I127 D130M109-T113 VanDerWaalsContact CE-OG1 3.28Å; M109-T113 WeakPolarHBondContact CE-OG1 3.32Å; M109-T113 VanDerWaalsContact O-CB 3.27Å; M109-T113 WeakPolarHBondContact O-CB 3.35Å; M109-T113 PolarHBondContact O-N 3.05Å; M109-T113 PolarHBondContact O-OG1 2.91Å; F110-T113 PolarHBondContact O-N 2.8Å; T113-T116 PolarHBondContact O-N 2.96Å; T113-K117 HydrophobicContact CG2-CD 3.97Å; T113-K117 HydrophobicContact CG2-CG 4.43Å; T113-K117 WeakPolarHBondContact O-CB 3.31Å; T113-K117 PolarHBondContact O-N 3.14Å; T113-I127 HydrophobicContact CG2-CB 4.29Å; T113-I127 HydrophobicContact CG2-CG1 4.05Å; T113-I127 HydrophobicContact CG2-CG2 3.94Å; T113-D130 HydrophobicContact CG2-CB 4.27Å
114L97.8Very high97.1Very high5 Ų558.1 Ų58.13%0.02629%0.293CS..Hα-helixtrans-62.1-53175.6-169.578.3000110.2F110 K111 T116 K117 Y118 I124 I127 Y168 D169 F171F110-L114 HydrophobicContact CE1-CD2 4.25Å; F110-L114 HydrophobicContact CE2-CD1 4.43Å; F110-L114 HydrophobicContact CZ-CB 4.44Å; F110-L114 HydrophobicContact CZ-CD1 4.1Å; F110-L114 HydrophobicContact CZ-CD2 4.26Å; F110-L114 VanDerWaalsContact O-CB 3.31Å; F110-L114 WeakPolarHBondContact O-CB 3.46Å; F110-L114 PolarHBondContact O-N 2.91Å; K111-L114 PolarHBondContact O-N 3.23Å; L114-T116 PolarHBondContact O-N 2.93Å; L114-K117 PolarHBondContact O-N 3.33Å; L114-Y118 HydrophobicContact CD1-CD2 4.16Å; L114-Y118 HydrophobicContact CD1-CG 4Å; L114-Y118 WeakPolarHBondContact O-CB 3.36Å; L114-Y118 PolarHBondContact O-N 2.83Å; L114-I124 HydrophobicContact CD1-CD1 4.26Å; L114-I127 HydrophobicContact CD1-CD1 3.98Å; L114-Y168 HydrophobicContact CB-CE1 4.44Å; L114-Y168 HydrophobicContact CD2-CD1 3.67Å; L114-Y168 HydrophobicContact CD2-CE1 3.62Å; L114-D169 HydrophobicContact CD2-CB 4.38Å; L114-F171 HydrophobicContact CD1-CD2 3.71Å; L114-F171 HydrophobicContact CD1-CE2 3.73Å; L114-F171 HydrophobicContact CD2-CD2 3.86Å; L114-F171 HydrophobicContact CD2-CE2 4.3Å; L114-F171 HydrophobicContact CG-CD2 4.46Å
115N96.8Very high97Very high102 Ų10262.3 Ų62.355%0.54531%0.313SS..Hα-helixtrans-62.6-26.7-178.2-68.5-16.7000113.1K111 Y168K111-N115 VanDerWaalsContact O-CB 3.31Å; K111-N115 WeakPolarHBondContact O-CB 3.14Å; K111-N115 PolarHBondContact O-N 3.32Å; K111-N115 PolarHBondContact O-ND2 3.49Å; N115-Y168 PolarHBondContact ND2-OH 2.73Å; N115-Y168 PolarHBondContact OD1-OH 3.39Å
116T96.9Very high97Very high114 Ų11464.3 Ų64.370%0.69933%0.326SS*.Hα-helixtrans-90.7-37.1-178.2-54.40000113.1E112 T113 L114E112-T116 VanDerWaalsContact O-CB 3.25Å; E112-T116 WeakPolarHBondContact O-CB 3.47Å; E112-T116 PolarHBondContact O-N 2.82Å; E112-T116 PolarHBondContact O-OG1 3.01Å; T113-T116 PolarHBondContact O-N 2.96Å; L114-T116 PolarHBondContact O-N 2.93Å
117K96.8Very high97Very high87 Ų8764.3 Ų64.338%0.37833%0.326SS..Hα-helixtrans-114.3-15.7-167.3-58.6-170.7-177.8-175.90114.2T113 L114 T119 S123 V126 I127 D130T113-K117 HydrophobicContact CG2-CD 3.97Å; T113-K117 HydrophobicContact CG2-CG 4.43Å; T113-K117 WeakPolarHBondContact O-CB 3.31Å; T113-K117 PolarHBondContact O-N 3.14Å; L114-K117 PolarHBondContact O-N 3.33Å; K117-T119 PolarHBondContact O-N 3.43Å; K117-S123 WeakPolarHBondContact O-CB 3.37Å; K117-V126 HydrophobicContact CD-CG1 4.46Å; K117-I127 HydrophobicContact CB-CG1 4.22Å; K117-D130 WeakPolarHBondContact CD-OD2 3.38Å; K117-D130 IonicContact NZ-OD1 3.87Å; K117-D130 IonicContact NZ-OD2 2.58Å; K117-D130 PolarHBondContact NZ-OD2 2.68Å
118Y96.6Very high97Very high76 Ų7665.5 Ų65.530%0.29833%0.334SS..  trans-72.4113.9-178.6-175.7-110.1000111.1L114 D120 S123 I124 I127 K170 F171L114-Y118 HydrophobicContact CD1-CD2 4.16Å; L114-Y118 HydrophobicContact CD1-CG 4Å; L114-Y118 WeakPolarHBondContact O-CB 3.36Å; L114-Y118 PolarHBondContact O-N 2.83Å; Y118-D120 WeakPolarHBondContact CE2-O 3.16Å; Y118-S123 WeakPolarHBondContact CA-OG 3.18Å; Y118-S123 WeakPolarHBondContact CD2-OG 3.34Å; Y118-I124 HydrophobicContact CD2-CD1 3.56Å; Y118-I124 HydrophobicContact CD2-CG1 4.18Å; Y118-I124 HydrophobicContact CE2-CD1 3.61Å; Y118-I124 HydrophobicContact CE2-CG1 3.93Å; Y118-I127 HydrophobicContact CD2-CD1 4.34Å; Y118-K170 PolarHBondContact OH-NZ 3.45Å; Y118-F171 HydrophobicContact CD2-CE2 4.28Å; Y118-F171 HydrophobicContact CD2-CZ 4.25Å; Y118-F171 HydrophobicContact CE1-CE2 4.32Å; Y118-F171 HydrophobicContact CE1-CZ 4.48Å; Y118-F171 AromaticContact CE2-CE2 3.93Å; Y118-F171 HydrophobicContact CE2-CE2 3.93Å; Y118-F171 AromaticContact CE2-CZ 3.55Å; Y118-F171 HydrophobicContact CE2-CZ 3.55Å; Y118-F171 AromaticContact CZ-CE2 3.95Å; Y118-F171 AromaticContact CZ-CZ 3.68Å
119T95.7Very high97Very high118 Ų11867.8 Ų67.872%0.72435%0.346SS*.SBendtrans-122.2-39.8176.4540000111.9K117 S123K117-T119 PolarHBondContact O-N 3.43Å; T119-S123 PolarHBondContact N-OG 2.84Å
120D94.2Very high97Very high76 Ų7668 Ų6841%0.40635%0.347SS..SBendtrans-151.4177.9176.863.823.1000110.7Y118 K122 S123Y118-D120 WeakPolarHBondContact CE2-O 3.16Å; D120-K122 PolarHBondContact O-N 3.35Å; D120-K122 VanDerWaalsContact O-N 3.17Å; D120-K122 WeakPolarHBondContact OD1-CA 3.39Å; D120-K122 VanDerWaalsContact OD1-CB 3.27Å; D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.71Å; D120-S123 WeakPolarHBondContact O-CB 3.35Å; D120-S123 PolarHBondContact O-N 3.43Å; D120-S123 PolarHBondContact O-OG 2.82Å; D120-S123 PolarHBondContact OD1-N 3.41Å
121E92.6Very high97Very high151 Ų15167.9 Ų67.971%0.70635%0.347SS*.THydrogen-bonded Turntrans-58.4-28.6177.6-67.7178.4179.900113.4S123 I124E121-S123 VanDerWaalsContact C-N 3.29Å; E121-S123 PolarHBondContact O-N 2.91Å; E121-I124 WeakPolarHBondContact O-CB 3.24Å; E121-I124 PolarHBondContact O-N 2.86Å
122K94.6Very high97Very high169 Ų16969.5 Ų69.574%0.73535%0.354SS*.THydrogen-bonded Turntrans-71.5-27.4179-58.2178.9-178.6173.10111.5D120 I124 I125D120-K122 PolarHBondContact O-N 3.35Å; D120-K122 VanDerWaalsContact O-N 3.17Å; D120-K122 WeakPolarHBondContact OD1-CA 3.39Å; D120-K122 VanDerWaalsContact OD1-CB 3.27Å; D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.71Å; K122-I124 PolarHBondContact O-N 2.8Å; K122-I125 WeakPolarHBondContact O-CG2 3.31Å
123S96.5Very high97Very high10 Ų1069.6 Ų69.67%0.0735%0.353CS..Hα-helixtrans-65.1-21.3174.9720000113.3K117 Y118 T119 D120 E121 I125 V126 I127K117-S123 WeakPolarHBondContact O-CB 3.37Å; Y118-S123 WeakPolarHBondContact CA-OG 3.18Å; Y118-S123 WeakPolarHBondContact CD2-OG 3.34Å; T119-S123 PolarHBondContact N-OG 2.84Å; D120-S123 WeakPolarHBondContact O-CB 3.35Å; D120-S123 PolarHBondContact O-N 3.43Å; D120-S123 PolarHBondContact O-OG 2.82Å; D120-S123 PolarHBondContact OD1-N 3.41Å; E121-S123 VanDerWaalsContact C-N 3.29Å; E121-S123 PolarHBondContact O-N 2.91Å; S123-I125 VanDerWaalsContact C-N 3.3Å; S123-I125 PolarHBondContact O-N 2.79Å; S123-V126 WeakPolarHBondContact O-CB 3.15Å; S123-V126 PolarHBondContact O-N 2.92Å; S123-I127 PolarHBondContact O-N 2.73Å
124I97.2Very high97.1Very high23 Ų2371.8 Ų71.812%0.11836%0.36CS..Hα-helixtrans-59.9-37.7-179.5-64.2-64.5000112.1L114 Y118 E121 K122 V126 I127 V128 I147 F171L114-I124 HydrophobicContact CD1-CD1 4.26Å; Y118-I124 HydrophobicContact CD2-CD1 3.56Å; Y118-I124 HydrophobicContact CD2-CG1 4.18Å; Y118-I124 HydrophobicContact CE2-CD1 3.61Å; Y118-I124 HydrophobicContact CE2-CG1 3.93Å; E121-I124 WeakPolarHBondContact O-CB 3.24Å; E121-I124 PolarHBondContact O-N 2.86Å; K122-I124 PolarHBondContact O-N 2.8Å; I124-V126 PolarHBondContact O-N 2.66Å; I124-I127 HydrophobicContact CD1-CD1 4.04Å; I124-I127 WeakPolarHBondContact O-CB 3.37Å; I124-I127 PolarHBondContact O-N 3.03Å; I124-I127 VanDerWaalsContact O-N 3.12Å; I124-V128 HydrophobicContact CG2-CG2 4.2Å; I124-V128 WeakPolarHBondContact O-CG2 3.27Å; I124-V128 PolarHBondContact O-N 2.86Å; I124-I147 HydrophobicContact CD1-CG2 4.42Å; I124-I147 HydrophobicContact CG2-CB 4.03Å; I124-I147 HydrophobicContact CG2-CD1 4.5Å; I124-I147 HydrophobicContact CG2-CG2 3.91Å; I124-F171 HydrophobicContact CD1-CD1 4.3Å; I124-F171 HydrophobicContact CD1-CE1 3.67Å; I124-F171 HydrophobicContact CD1-CE2 4.02Å; I124-F171 HydrophobicContact CD1-CZ 3.5Å; I124-F171 HydrophobicContact CG1-CE1 4.19Å; I124-F171 HydrophobicContact CG1-CZ 4.22Å
125I97.1Very high97.1Very high103 Ų10371.5 Ų71.553%0.52836%0.359SS..Hα-helixtrans-64.6-32.6178.4-165.356.7000112.2K122 S123 N129K122-I125 WeakPolarHBondContact O-CG2 3.31Å; S123-I125 VanDerWaalsContact C-N 3.3Å; S123-I125 PolarHBondContact O-N 2.79Å; I125-N129 WeakPolarHBondContact O-CB 3.47Å; I125-N129 VanDerWaalsContact O-CG 3.23Å; I125-N129 PolarHBondContact O-N 3.46Å; I125-N129 VanDerWaalsContact O-N 3.07Å; I125-N129 PolarHBondContact O-ND2 2.82Å; I125-N129 VanDerWaalsContact O-ND2 3.09Å
126V97.7Very high97.2Very high70 Ų7068.5 Ų68.542%0.42434%0.343SS..Hα-helixtrans-66-45.3174.9-177.60000109.2K117 S123 I124 N129 D130K117-V126 HydrophobicContact CD-CG1 4.46Å; S123-V126 WeakPolarHBondContact O-CB 3.15Å; S123-V126 PolarHBondContact O-N 2.92Å; I124-V126 PolarHBondContact O-N 2.66Å; V126-N129 PolarHBondContact O-N 2.88Å; V126-D130 WeakPolarHBondContact O-CB 3.39Å; V126-D130 VanDerWaalsContact O-CG 3.27Å; V126-D130 PolarHBondContact O-N 2.85Å
127I98.5Very high97.2Very high0 Ų069.7 Ų69.70%034%0.341CS..Hα-helixtrans-62.7-45.3178-61.7156.5000111.1F110 T113 L114 K117 Y118 S123 I124 N129 D130 M131 I147F110-I127 HydrophobicContact CD2-CG2 4.21Å; F110-I127 HydrophobicContact CE2-CG2 4.03Å; T113-I127 HydrophobicContact CG2-CB 4.29Å; T113-I127 HydrophobicContact CG2-CG1 4.05Å; T113-I127 HydrophobicContact CG2-CG2 3.94Å; L114-I127 HydrophobicContact CD1-CD1 3.98Å; K117-I127 HydrophobicContact CB-CG1 4.22Å; Y118-I127 HydrophobicContact CD2-CD1 4.34Å; S123-I127 PolarHBondContact O-N 2.73Å; I124-I127 HydrophobicContact CD1-CD1 4.04Å; I124-I127 WeakPolarHBondContact O-CB 3.37Å; I124-I127 PolarHBondContact O-N 3.03Å; I124-I127 VanDerWaalsContact O-N 3.12Å; I127-N129 VanDerWaalsContact C-N 3.32Å; I127-N129 PolarHBondContact O-N 3.35Å; I127-D130 PolarHBondContact O-N 2.89Å; I127-M131 HydrophobicContact CG2-CG 4.36Å; I127-M131 WeakPolarHBondContact O-CB 3.42Å; I127-M131 WeakPolarHBondContact O-CG 3.48Å; I127-M131 PolarHBondContact O-N 2.87Å; I127-I147 HydrophobicContact CB-CD1 4.33Å; I127-I147 HydrophobicContact CG2-CD1 3.73Å
128V98.5Very high97.1Very high26 Ų2670.3 Ų70.316%0.15834%0.343CS..Hα-helixtrans-55.7-47.4174.8172.20000110.8I124 M131 K132 V145 I147I124-V128 HydrophobicContact CG2-CG2 4.2Å; I124-V128 WeakPolarHBondContact O-CG2 3.27Å; I124-V128 PolarHBondContact O-N 2.86Å; V128-M131 PolarHBondContact O-N 3.18Å; V128-K132 WeakPolarHBondContact O-CB 3.5Å; V128-K132 PolarHBondContact O-N 3.16Å; V128-V145 HydrophobicContact CG1-CB 4.21Å; V128-V145 HydrophobicContact CG1-CG1 4.17Å; V128-I147 HydrophobicContact CB-CD1 4.45Å; V128-I147 HydrophobicContact CG2-CB 4.08Å; V128-I147 HydrophobicContact CG2-CD1 3.6Å; V128-I147 HydrophobicContact CG2-CG1 3.91Å
129N98.4Very high97Very high91 Ų9168.5 Ų68.549%0.48734%0.336SS..Hα-helixtrans-67.2-40.7-178.2-73.3-29.7000112.4I125 V126 I127 K132 K133I125-N129 WeakPolarHBondContact O-CB 3.47Å; I125-N129 VanDerWaalsContact O-CG 3.23Å; I125-N129 PolarHBondContact O-N 3.46Å; I125-N129 VanDerWaalsContact O-N 3.07Å; I125-N129 PolarHBondContact O-ND2 2.82Å; I125-N129 VanDerWaalsContact O-ND2 3.09Å; V126-N129 PolarHBondContact O-N 2.88Å; I127-N129 VanDerWaalsContact C-N 3.32Å; I127-N129 PolarHBondContact O-N 3.35Å; N129-K132 PolarHBondContact O-N 2.82Å; N129-K133 VanDerWaalsContact O-CB 3.3Å; N129-K133 WeakPolarHBondContact O-CB 3.35Å; N129-K133 PolarHBondContact O-N 3.12Å
130D98.4Very high96.9Very high41 Ų4163.8 Ų63.822%0.21931%0.311CS..Hα-helixtrans-64.5-44.3176.5-72.1-28000111.4T113 K117 V126 I127 K133 Y134T113-D130 HydrophobicContact CG2-CB 4.27Å; K117-D130 WeakPolarHBondContact CD-OD2 3.38Å; K117-D130 IonicContact NZ-OD1 3.87Å; K117-D130 IonicContact NZ-OD2 2.58Å; K117-D130 PolarHBondContact NZ-OD2 2.68Å; V126-D130 WeakPolarHBondContact O-CB 3.39Å; V126-D130 VanDerWaalsContact O-CG 3.27Å; V126-D130 PolarHBondContact O-N 2.85Å; I127-D130 PolarHBondContact O-N 2.89Å; D130-K133 PolarHBondContact O-N 3.22Å; D130-Y134 VanDerWaalsContact O-CB 3.3Å; D130-Y134 WeakPolarHBondContact O-CB 3.31Å; D130-Y134 PolarHBondContact O-N 3.02Å
131M98.5Very high96.9Very high0 Ų067.7 Ų67.70%033%0.325CS..Hα-helixtrans-58.6-50.2173.9-73.3-65-6500110.9I106 M109 F110 I127 V128 K133 Y134 L135 V145 I175I106-M131 HydrophobicContact CG2-CE 4.04Å; M109-M131 HydrophobicContact CB-SD 4.24Å; M109-M131 HydrophobicContact CG-CE 4.43Å; M109-M131 HydrophobicContact CG-SD 3.59Å; M109-M131 VanDerWaalsContact CG-SD 3.59Å; F110-M131 VanDerWaalsContact CA-SD 3.56Å; F110-M131 HydrophobicContact CB-CE 3.81Å; F110-M131 HydrophobicContact CB-SD 3.93Å; F110-M131 HydrophobicContact CD2-CG 4.4Å; F110-M131 HydrophobicContact CD2-SD 4.35Å; I127-M131 HydrophobicContact CG2-CG 4.36Å; I127-M131 WeakPolarHBondContact O-CB 3.42Å; I127-M131 WeakPolarHBondContact O-CG 3.48Å; I127-M131 PolarHBondContact O-N 2.87Å; V128-M131 PolarHBondContact O-N 3.18Å; M131-K133 VanDerWaalsContact C-N 3.35Å; M131-K133 PolarHBondContact O-N 3.39Å; M131-Y134 PolarHBondContact O-N 3.36Å; M131-L135 WeakPolarHBondContact O-CB 3.25Å; M131-L135 WeakPolarHBondContact O-CD1 3.32Å; M131-L135 WeakPolarHBondContact O-CG 3.4Å; M131-L135 PolarHBondContact O-N 3.42Å; M131-V145 HydrophobicContact CB-CG1 3.98Å; M131-V145 HydrophobicContact CB-CG2 4.36Å; M131-I175 HydrophobicContact CE-CD1 3.73Å
132K98.6Very high97.1Very high66 Ų6664.4 Ų64.429%0.28731%0.311SS..Hα-helixtrans-59.4-46.8179.5-174.8-175.5178.7-0.30111.3V128 N129 L135 D136 W143 V145V128-K132 WeakPolarHBondContact O-CB 3.5Å; V128-K132 PolarHBondContact O-N 3.16Å; N129-K132 PolarHBondContact O-N 2.82Å; K132-L135 PolarHBondContact O-N 3.06Å; K132-D136 IonicContact NZ-OD1 3.93Å; K132-D136 PolarHBondContact NZ-OD1 3.43Å; K132-D136 IonicContact NZ-OD2 2.72Å; K132-D136 PolarHBondContact NZ-OD2 2.72Å; K132-D136 WeakPolarHBondContact O-CB 3.39Å; K132-D136 PolarHBondContact O-N 2.95Å; K132-W143 WeakPolarHBondContact CE-O 3.49Å; K132-W143 PolarHBondContact NZ-O 2.91Å; K132-V145 HydrophobicContact CB-CG2 4.03Å
133K98.6Very high97.2Very high124 Ų12456.3 Ų56.354%0.53928%0.276SS..Hα-helixtrans-60.1-48.2179-178.2-177.3173.2-174.90111.1N129 D130 M131 L135 D136 E137N129-K133 VanDerWaalsContact O-CB 3.3Å; N129-K133 WeakPolarHBondContact O-CB 3.35Å; N129-K133 PolarHBondContact O-N 3.12Å; D130-K133 PolarHBondContact O-N 3.22Å; M131-K133 VanDerWaalsContact C-N 3.35Å; M131-K133 PolarHBondContact O-N 3.39Å; K133-L135 VanDerWaalsContact C-N 3.33Å; K133-L135 PolarHBondContact O-N 2.97Å; K133-D136 PolarHBondContact O-N 2.96Å; K133-E137 WeakPolarHBondContact CE-OE1 3.27Å; K133-E137 HydrophobicContact CG-CG 4.46Å; K133-E137 IonicContact NZ-OE1 2.73Å; K133-E137 WeakPolarHBondContact O-CB 3.4Å; K133-E137 VanDerWaalsContact O-CG 3.32Å; K133-E137 WeakPolarHBondContact O-CG 3.46Å; K133-E137 PolarHBondContact O-N 3.42Å
134Y98.6Very high97.3Very high55 Ų5559.3 Ų59.322%0.21629%0.289CS..Hα-helixtrans-56.5-47.2177.4174-99000112D105 M109 D130 M131 E137 K138D105-Y134 PolarHBondContact OD1-OH 3.02Å; D105-Y134 WeakPolarHBondContact OD2-CE1 3.44Å; D105-Y134 PolarHBondContact OD2-OH 3.48Å; M109-Y134 HydrophobicContact CB-CD1 4.25Å; M109-Y134 HydrophobicContact CB-CE1 4.01Å; M109-Y134 HydrophobicContact CE-CD2 4.37Å; M109-Y134 HydrophobicContact CE-CG 4.13Å; M109-Y134 HydrophobicContact CG-CD1 3.68Å; M109-Y134 HydrophobicContact CG-CD2 4.39Å; M109-Y134 HydrophobicContact CG-CE1 3.93Å; M109-Y134 HydrophobicContact CG-CG 3.92Å; M109-Y134 HydrophobicContact SD-CD1 4.45Å; M109-Y134 HydrophobicContact SD-CD2 4.12Å; M109-Y134 HydrophobicContact SD-CE2 4.4Å; M109-Y134 HydrophobicContact SD-CG 4.13Å; D130-Y134 VanDerWaalsContact O-CB 3.3Å; D130-Y134 WeakPolarHBondContact O-CB 3.31Å; D130-Y134 PolarHBondContact O-N 3.02Å; M131-Y134 PolarHBondContact O-N 3.36Å; Y134-E137 PolarHBondContact O-N 2.69Å; Y134-K138 HydrophobicContact CE1-CD 4.01Å; Y134-K138 HydrophobicContact CE2-CD 4.13Å; Y134-K138 VanDerWaalsContact O-CB 3.25Å; Y134-K138 WeakPolarHBondContact O-CB 3.18Å; Y134-K138 PolarHBondContact O-N 2.84Å; Y134-K138 VanDerWaalsContact OH-CD 3.24Å; Y134-K138 WeakPolarHBondContact OH-CD 3.46Å; Y134-K138 PolarHBondContact OH-NZ 3.34Å
135L98.5Very high97.4Very high0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-66.5-43.8179.7-66.9165.1000112.2I106 M131 K132 K133 E137 K138 Y139 W143 V145 I175I106-L135 HydrophobicContact CD1-CD2 3.64Å; I106-L135 HydrophobicContact CG1-CD2 3.7Å; M131-L135 WeakPolarHBondContact O-CB 3.25Å; M131-L135 WeakPolarHBondContact O-CD1 3.32Å; M131-L135 WeakPolarHBondContact O-CG 3.4Å; M131-L135 PolarHBondContact O-N 3.42Å; K132-L135 PolarHBondContact O-N 3.06Å; K133-L135 VanDerWaalsContact C-N 3.33Å; K133-L135 PolarHBondContact O-N 2.97Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.42Å; L135-K138 PolarHBondContact O-N 3.33Å; L135-Y139 HydrophobicContact CD2-CD2 4.01Å; L135-Y139 HydrophobicContact CD2-CE2 4.46Å; L135-Y139 WeakPolarHBondContact O-CA 3.3Å; L135-Y139 PolarHBondContact O-N 2.9Å; L135-W143 VanDerWaalsContact C-CD1 3.42Å; L135-W143 HydrophobicContact CB-CB 3.96Å; L135-W143 HydrophobicContact CB-CD2 3.67Å; L135-W143 HydrophobicContact CB-CE3 4.34Å; L135-W143 HydrophobicContact CB-CG 3.46Å; L135-W143 VanDerWaalsContact CB-CG 3.46Å; L135-W143 HydrophobicContact CD1-CB 4.29Å; L135-W143 HydrophobicContact CD1-CD2 4.11Å; L135-W143 HydrophobicContact CD1-CE3 3.98Å; L135-W143 HydrophobicContact CD1-CG 4.26Å; L135-W143 HydrophobicContact CD2-CD2 4.35Å; L135-W143 HydrophobicContact CD2-CE3 4.34Å; L135-W143 HydrophobicContact CD2-CZ3 4.43Å; L135-W143 HydrophobicContact CG-CD2 4.27Å; L135-W143 HydrophobicContact CG-CE3 4.47Å; L135-W143 HydrophobicContact CG-CG 4.42Å; L135-W143 PolarHBondContact O-NE1 2.84Å; L135-V145 HydrophobicContact CD1-CG2 3.69Å; L135-I175 HydrophobicContact CD1-CG2 3.45Å; L135-I175 VanDerWaalsContact CD1-CG2 3.45Å
136D97.7Very high97.4Very high39 Ų3958.9 Ų58.921%0.20928%0.284CS..Hα-helixtrans-62.2-37.6177.4-78.2-25.2000111.9K132 K133 G140 K141 L142 W143K132-D136 IonicContact NZ-OD1 3.93Å; K132-D136 PolarHBondContact NZ-OD1 3.43Å; K132-D136 IonicContact NZ-OD2 2.72Å; K132-D136 PolarHBondContact NZ-OD2 2.72Å; K132-D136 WeakPolarHBondContact O-CB 3.39Å; K132-D136 PolarHBondContact O-N 2.95Å; K133-D136 PolarHBondContact O-N 2.96Å; D136-G140 WeakPolarHBondContact CA-O 3.39Å; D136-G140 CarbonylContact O-C 3.26Å; D136-G140 VanDerWaalsContact O-C 3.26Å; D136-G140 WeakPolarHBondContact O-CA 3.33Å; D136-G140 PolarHBondContact O-N 3.26Å; D136-K141 VanDerWaalsContact OD1-CA 3.31Å; D136-K141 WeakPolarHBondContact OD1-CA 3.39Å; D136-L142 PolarHBondContact OD1-N 3.07Å; D136-W143 PolarHBondContact OD1-N 3.46Å; D136-W143 VanDerWaalsContact OD1-N 3.12Å
137E97.3Very high97.4Very high139 Ų13956.7 Ų56.765%0.6527%0.27SS*.Hα-helixtrans-74.4-41.7178.4-73.7175.217600112.2K133 Y134 L135K133-E137 WeakPolarHBondContact CE-OE1 3.27Å; K133-E137 HydrophobicContact CG-CG 4.46Å; K133-E137 IonicContact NZ-OE1 2.73Å; K133-E137 WeakPolarHBondContact O-CB 3.4Å; K133-E137 VanDerWaalsContact O-CG 3.32Å; K133-E137 WeakPolarHBondContact O-CG 3.46Å; K133-E137 PolarHBondContact O-N 3.42Å; Y134-E137 PolarHBondContact O-N 2.69Å; L135-E137 VanDerWaalsContact C-N 3.3Å; L135-E137 PolarHBondContact O-N 3.42Å
138K96Very high97.4Very high99 Ų9958.2 Ų58.243%0.4328%0.277SS..Hα-helixtrans-86.2-41.6-173.7-173169.8-174.6171.50113.9D105 Y134 L135D105-K138 IonicContact OD1-NZ 3.39Å; D105-K138 PolarHBondContact OD1-NZ 3Å; D105-K138 WeakPolarHBondContact OD2-CD 3.31Å; D105-K138 VanDerWaalsContact OD2-CE 3.31Å; D105-K138 WeakPolarHBondContact OD2-CE 3.46Å; D105-K138 IonicContact OD2-NZ 2.68Å; D105-K138 PolarHBondContact OD2-NZ 3.32Å; Y134-K138 HydrophobicContact CE1-CD 4.01Å; Y134-K138 HydrophobicContact CE2-CD 4.13Å; Y134-K138 VanDerWaalsContact O-CB 3.25Å; Y134-K138 WeakPolarHBondContact O-CB 3.18Å; Y134-K138 PolarHBondContact O-N 2.84Å; Y134-K138 VanDerWaalsContact OH-CD 3.24Å; Y134-K138 WeakPolarHBondContact OH-CD 3.46Å; Y134-K138 PolarHBondContact OH-NZ 3.34Å; L135-K138 PolarHBondContact O-N 3.33Å
139Y94.6Very high97.2Very high38 Ų3861.3 Ų61.315%0.14929%0.293CS..SBendtrans-118.316.8-170.9-61.6-61.4000113.1K102 D105 I106 L135 W143 R177K102-Y139 HydrophobicContact CD-CE1 4.33Å; K102-Y139 HydrophobicContact CG-CE1 4.08Å; D105-Y139 WeakPolarHBondContact OD2-CE2 3.38Å; D105-Y139 PolarHBondContact OD2-OH 3.4Å; I106-Y139 HydrophobicContact CD1-CE2 4.47Å; I106-Y139 HydrophobicContact CG1-CE2 4.29Å; L135-Y139 HydrophobicContact CD2-CD2 4.01Å; L135-Y139 HydrophobicContact CD2-CE2 4.46Å; L135-Y139 WeakPolarHBondContact O-CA 3.3Å; L135-Y139 PolarHBondContact O-N 2.9Å; Y139-W143 HydrophobicContact CD2-CZ2 4.35Å; Y139-W143 HydrophobicContact CG-CZ2 4.24Å; Y139-R177 PolarHBondContact O-NH1 2.9Å
140G93.3Very high96.9Very high20 Ų2059 Ų5921%0.20629%0.291CS..  trans80.8163.6-179.400000112.9D136 W143D136-G140 WeakPolarHBondContact CA-O 3.39Å; D136-G140 CarbonylContact O-C 3.26Å; D136-G140 VanDerWaalsContact O-C 3.26Å; D136-G140 WeakPolarHBondContact O-CA 3.33Å; D136-G140 PolarHBondContact O-N 3.26Å; G140-W143 PolarHBondContact O-NE1 2.92Å
141K94.6Very high96.6Very high158 Ų15862.1 Ų62.169%0.68732%0.315SS*.SBendtrans-70.9170.7-169.9-60.1-177.5-179.21800114D136 R177D136-K141 VanDerWaalsContact OD1-CA 3.31Å; D136-K141 WeakPolarHBondContact OD1-CA 3.39Å; K141-R177 PolarHBondContact O-NE 2.9Å
142L95.5Very high96.3Very high81 Ų8164.2 Ų64.242%0.42433%0.325SS..  trans85.228.3172.8-50.3173.4000114.2D136 R177 S178 A180D136-L142 PolarHBondContact OD1-N 3.07Å; L142-R177 HydrophobicContact CB-CG 4.5Å; L142-S178 PolarHBondContact O-N 3.17Å; L142-A180 HydrophobicContact CD1-CB 4.32Å
143W98Very high96Very high0 Ų072.3 Ų72.30%035%0.354CS..EExtended strand (participates in β ladder)trans-75.3136.9172-70.689.6000112.7M98 K132 L135 D136 Y139 G140 L162 I175 W176 R177M98-W143 HydrophobicContact CE-CH2 3.53Å; M98-W143 HydrophobicContact CE-CZ3 3.57Å; K132-W143 WeakPolarHBondContact CE-O 3.49Å; K132-W143 PolarHBondContact NZ-O 2.91Å; L135-W143 VanDerWaalsContact C-CD1 3.42Å; L135-W143 HydrophobicContact CB-CB 3.96Å; L135-W143 HydrophobicContact CB-CD2 3.67Å; L135-W143 HydrophobicContact CB-CE3 4.34Å; L135-W143 HydrophobicContact CB-CG 3.46Å; L135-W143 VanDerWaalsContact CB-CG 3.46Å; L135-W143 HydrophobicContact CD1-CB 4.29Å; L135-W143 HydrophobicContact CD1-CD2 4.11Å; L135-W143 HydrophobicContact CD1-CE3 3.98Å; L135-W143 HydrophobicContact CD1-CG 4.26Å; L135-W143 HydrophobicContact CD2-CD2 4.35Å; L135-W143 HydrophobicContact CD2-CE3 4.34Å; L135-W143 HydrophobicContact CD2-CZ3 4.43Å; L135-W143 HydrophobicContact CG-CD2 4.27Å; L135-W143 HydrophobicContact CG-CE3 4.47Å; L135-W143 HydrophobicContact CG-CG 4.42Å; L135-W143 PolarHBondContact O-NE1 2.84Å; D136-W143 PolarHBondContact OD1-N 3.46Å; D136-W143 VanDerWaalsContact OD1-N 3.12Å; Y139-W143 HydrophobicContact CD2-CZ2 4.35Å; Y139-W143 HydrophobicContact CG-CZ2 4.24Å; G140-W143 PolarHBondContact O-NE1 2.92Å; W143-L162 HydrophobicContact CH2-CB 3.84Å; W143-L162 HydrophobicContact CH2-CD2 4Å; W143-L162 HydrophobicContact CH2-CG 4.41Å; W143-L162 HydrophobicContact CZ2-CB 4.32Å; W143-L162 HydrophobicContact CZ2-CD1 4.47Å; W143-L162 HydrophobicContact CZ2-CD2 4.11Å; W143-I175 HydrophobicContact CE3-CG2 3.63Å; W143-I175 HydrophobicContact CZ3-CG2 3.82Å; W143-W176 WeakPolarHBondContact CA-O 3.32Å; W143-R177 HydrophobicContact CD2-CB 3.87Å; W143-R177 HydrophobicContact CD2-CG 4.37Å; W143-R177 HydrophobicContact CE3-CB 4.04Å; W143-R177 HydrophobicContact CG-CB 4.46Å; W143-R177 HydrophobicContact CH2-CB 4.13Å; W143-R177 HydrophobicContact CZ2-CB 3.95Å; W143-R177 HydrophobicContact CZ3-CB 4.17Å
144Q97.9Very high95.5Very high73 Ų7369.6 Ų69.634%0.34135%0.35SS..EExtended strand (participates in β ladder)trans-106133.2167.6-53.4-58.1-27.100108.1F146 I175 W176 S178Q144-F146 HydrophobicContact CB-CE2 4.21Å; Q144-I175 WeakPolarHBondContact O-CA 3.27Å; Q144-W176 HydrophobicContact CB-CD2 3.78Å; Q144-W176 HydrophobicContact CB-CE3 4.08Å; Q144-W176 HydrophobicContact CB-CG 4.4Å; Q144-W176 HydrophobicContact CB-CH2 3.98Å; Q144-W176 HydrophobicContact CB-CZ2 3.64Å; Q144-W176 HydrophobicContact CB-CZ3 4.18Å; Q144-W176 HydrophobicContact CG-CD2 4.28Å; Q144-W176 HydrophobicContact CG-CZ2 3.78Å; Q144-W176 PolarHBondContact N-O 3.17Å; Q144-W176 PolarHBondContact O-N 2.92Å; Q144-W176 VanDerWaalsContact O-N 3.1Å; Q144-S178 PolarHBondContact NE2-OG 2.96Å
145V98.5Very high95.1Very high15 Ų1574.6 Ų74.69%0.09138%0.381CS..EExtended strand (participates in β ladder)trans-132.5118.8-178178.60000108.3V128 M131 K132 L135 I147 I175V128-V145 HydrophobicContact CG1-CB 4.21Å; V128-V145 HydrophobicContact CG1-CG1 4.17Å; M131-V145 HydrophobicContact CB-CG1 3.98Å; M131-V145 HydrophobicContact CB-CG2 4.36Å; K132-V145 HydrophobicContact CB-CG2 4.03Å; L135-V145 HydrophobicContact CD1-CG2 3.69Å; V145-I147 HydrophobicContact CG1-CG1 4.47Å; V145-I175 HydrophobicContact CG1-CD1 4.36Å; V145-I175 HydrophobicContact CG1-CG1 4.23Å; V145-I175 HydrophobicContact CG2-CG1 4.48Å; V145-I175 HydrophobicContact CG2-CG2 4.26Å
146F98Very high94.7Very high101 Ų10176.9 Ų76.944%0.44339%0.391SS..EExtended strand (participates in β ladder)trans-116.8128.3173.9-70.5-109.6000108.4Q144 I148 C173 V174 W176Q144-F146 HydrophobicContact CB-CE2 4.21Å; F146-I148 HydrophobicContact CB-CD1 4.22Å; F146-I148 HydrophobicContact CB-CG1 4.34Å; F146-C173 CarbonylContact O-C 3.56Å; F146-C173 VanDerWaalsContact O-CA 3.27Å; F146-C173 WeakPolarHBondContact O-CA 3.02Å; F146-V174 HydrophobicContact CB-CB 4.13Å; F146-V174 HydrophobicContact CB-CG2 4.42Å; F146-V174 PolarHBondContact N-O 2.91Å; F146-V174 PolarHBondContact O-N 3.04Å; F146-W176 AromaticContact CD2-CH2 3.56Å; F146-W176 HydrophobicContact CD2-CH2 3.56Å; F146-W176 AromaticContact CD2-CZ3 3.48Å; F146-W176 HydrophobicContact CD2-CZ3 3.48Å; F146-W176 VanDerWaalsContact CD2-CZ3 3.48Å; F146-W176 AromaticContact CE2-CH2 3.2Å; F146-W176 HydrophobicContact CE2-CH2 3.2Å; F146-W176 HydrophobicContact CE2-CZ2 4.07Å; F146-W176 AromaticContact CE2-CZ3 3.67Å; F146-W176 HydrophobicContact CE2-CZ3 3.67Å; F146-W176 HydrophobicContact CG-CZ3 4.44Å; F146-W176 AromaticContact CZ-CH2 4Å; F146-W176 HydrophobicContact CZ-CH2 4Å
147I98Very high94.5Very high25 Ų2579.8 Ų79.813%0.12841%0.414CS..EExtended strand (participates in β ladder)trans-116.9122.7170.6-64.1172.4000106.7F110 I124 I127 V128 V145 F171F110-I147 HydrophobicContact CD2-CD1 4.18Å; F110-I147 HydrophobicContact CE2-CD1 3.54Å; F110-I147 HydrophobicContact CE2-CG1 4.03Å; F110-I147 HydrophobicContact CE2-CG2 4.46Å; F110-I147 HydrophobicContact CZ-CG2 4.47Å; I124-I147 HydrophobicContact CD1-CG2 4.42Å; I124-I147 HydrophobicContact CG2-CB 4.03Å; I124-I147 HydrophobicContact CG2-CD1 4.5Å; I124-I147 HydrophobicContact CG2-CG2 3.91Å; I127-I147 HydrophobicContact CB-CD1 4.33Å; I127-I147 HydrophobicContact CG2-CD1 3.73Å; V128-I147 HydrophobicContact CB-CD1 4.45Å; V128-I147 HydrophobicContact CG2-CB 4.08Å; V128-I147 HydrophobicContact CG2-CD1 3.6Å; V128-I147 HydrophobicContact CG2-CG1 3.91Å; V145-I147 HydrophobicContact CG1-CG1 4.47Å; I147-F171 HydrophobicContact CG2-CB 3.98Å; I147-F171 HydrophobicContact CG2-CD1 3.7Å; I147-F171 HydrophobicContact CG2-CE1 4.48Å; I147-F171 HydrophobicContact CG2-CG 4Å
148I96.9Very high94.3Very high32 Ų3275.8 Ų75.816%0.16440%0.395CS..EExtended strand (participates in β ladder)trans-127.3124.2-166.6-57.7169.2000108.5F146 F152 F171 R172 V174F146-I148 HydrophobicContact CB-CD1 4.22Å; F146-I148 HydrophobicContact CB-CG1 4.34Å; I148-F152 HydrophobicContact CB-CD1 4.4Å; I148-F152 HydrophobicContact CD1-CB 4.17Å; I148-F152 HydrophobicContact CD1-CD1 3.26Å; I148-F152 HydrophobicContact CD1-CD2 3.82Å; I148-F152 HydrophobicContact CD1-CE1 3.54Å; I148-F152 HydrophobicContact CD1-CE2 4.08Å; I148-F152 HydrophobicContact CD1-CG 3.45Å; I148-F152 VanDerWaalsContact CD1-CG 3.45Å; I148-F152 HydrophobicContact CD1-CZ 3.99Å; I148-F152 HydrophobicContact CG1-CD1 4.39Å; I148-F152 HydrophobicContact CG2-CD1 4.06Å; I148-F171 WeakPolarHBondContact O-CA 3.49Å; I148-R172 HydrophobicContact CB-CB 4.47Å; I148-R172 PolarHBondContact N-O 3.3Å; I148-R172 PolarHBondContact O-N 3.31Å; I148-V174 HydrophobicContact CD1-CG2 3.98Å
149D95.5Very high94.1Very high91 Ų9172.5 Ų72.549%0.48738%0.381SS..EExtended strand (participates in β ladder)trans-95.197.8167-168.4-9.1000107.9K170 F171D149-K170 WeakPolarHBondContact OD2-CE 3.34Å; D149-K170 IonicContact OD2-NZ 2.63Å; D149-K170 PolarHBondContact OD2-NZ 3.28Å; D149-F171 HydrophobicContact CB-CD1 4.22Å; D149-F171 HydrophobicContact CB-CE1 4.02Å
150G92.6Very high94.1Very high42 Ų4271.5 Ų71.543%0.43338%0.38SS..SBendtrans120.7-153.6-176.700000114.5
151S91Very high94.2Very high106 Ų10670.6 Ų70.674%0.74137%0.37SS*.  trans-106.9148.2-173.5-62.60000112.2
152F92.6Very high94.3Very high45 Ų4563.7 Ų63.720%0.19734%0.34CS..  trans-152.7168.8175.875.7-74.5000109.8I148 S154 E165 R172 V174I148-F152 HydrophobicContact CB-CD1 4.4Å; I148-F152 HydrophobicContact CD1-CB 4.17Å; I148-F152 HydrophobicContact CD1-CD1 3.26Å; I148-F152 HydrophobicContact CD1-CD2 3.82Å; I148-F152 HydrophobicContact CD1-CE1 3.54Å; I148-F152 HydrophobicContact CD1-CE2 4.08Å; I148-F152 HydrophobicContact CD1-CG 3.45Å; I148-F152 VanDerWaalsContact CD1-CG 3.45Å; I148-F152 HydrophobicContact CD1-CZ 3.99Å; I148-F152 HydrophobicContact CG1-CD1 4.39Å; I148-F152 HydrophobicContact CG2-CD1 4.06Å; F152-S154 WeakPolarHBondContact CE2-OG 3.41Å; F152-E165 WeakPolarHBondContact CZ-OE1 3.25Å; F152-R172 HydrophobicContact CE1-CG 3.84Å; F152-V174 HydrophobicContact CE1-CG2 3.73Å; F152-V174 HydrophobicContact CE2-CG2 3.59Å; F152-V174 HydrophobicContact CZ-CB 4.42Å; F152-V174 HydrophobicContact CZ-CG2 3.07Å
153W93.1Very high94.4Very high236 Ų23660 Ų6089%0.89432%0.322SS*.  trans-127.2137.3171.2-66.2-99.1000108.2
154S87.6Confident94.4Very high66 Ų6660.1 Ų60.146%0.46232%0.322SS..  trans-141.4158.2177.469.40000111.8F152F152-S154 WeakPolarHBondContact CE2-OG 3.41Å
155N90.7Very high94.4Very high161 Ų16157.5 Ų57.586%0.86131%0.31SS*.  trans-144.8128.1162.7-173.7-4.5000106.4
156F90.4Very high94.4Very high47 Ų4756.8 Ų56.821%0.20631%0.306CS..  trans-147.8146.1-174.557.4-89.5000110.8H158 A163 V174 W176F156-H158 HydrophobicContact CD2-CB 4.26Å; F156-H158 AromaticContact CD2-ND1 3.87Å; F156-H158 HydrophobicContact CE2-CB 4.36Å; F156-H158 AromaticContact CE2-ND1 3.74Å; F156-A163 HydrophobicContact CE2-CB 3.86Å; F156-A163 HydrophobicContact CZ-CB 4.42Å; F156-V174 HydrophobicContact CE1-CG1 3.77Å; F156-V174 HydrophobicContact CZ-CG1 4.07Å; F156-W176 HydrophobicContact CB-CZ2 4.29Å; F156-W176 HydrophobicContact CD1-CE3 4.49Å; F156-W176 HydrophobicContact CD2-CB 4.01Å; F156-W176 AromaticContact CD2-CD1 3.96Å; F156-W176 AromaticContact CD2-CD2 3.71Å; F156-W176 HydrophobicContact CD2-CD2 3.71Å; F156-W176 HydrophobicContact CD2-CE3 4.16Å; F156-W176 AromaticContact CD2-CG 3.63Å; F156-W176 HydrophobicContact CD2-CG 3.63Å; F156-W176 HydrophobicContact CE2-CB 3.71Å; F156-W176 HydrophobicContact CE2-CD2 4.02Å; F156-W176 HydrophobicContact CE2-CE3 4.19Å; F156-W176 AromaticContact CE2-CG 3.83Å; F156-W176 HydrophobicContact CE2-CG 3.83Å; F156-W176 HydrophobicContact CG-CD2 4.1Å; F156-W176 HydrophobicContact CG-CE3 4.32Å; F156-W176 HydrophobicContact CG-CG 4.46Å; F156-W176 HydrophobicContact CZ-CE3 4.37Å
157S91.4Very high94.4Very high100 Ų10055 Ų5570%0.69930%0.3SS*.  trans-87.4146.7166.6-59.60000109.4
158H93.6Very high94.4Very high55 Ų5555 Ų5526%0.25530%0.298SS..  trans-144.9158.1-178.753.3-78.9000110.1E2 S97 F156 A163 W176 R177E2-H158 IonicContact OE1-CD2 2.86Å; E2-H158 IonicContact OE1-NE2 2.94Å; S97-H158 PolarHBondContact OG-NE2 3.34Å; F156-H158 HydrophobicContact CD2-CB 4.26Å; F156-H158 AromaticContact CD2-ND1 3.87Å; F156-H158 HydrophobicContact CE2-CB 4.36Å; F156-H158 AromaticContact CE2-ND1 3.74Å; H158-A163 HydrophobicContact CB-CB 4.1Å; H158-A163 WeakPolarHBondContact CD2-CB 3.31Å; H158-W176 HydrophobicContact CB-CB 3.85Å; H158-W176 HydrophobicContact CB-CG 4.24Å; H158-R177 CarbonylContact C-O 3.48Å; H158-R177 WeakPolarHBondContact CA-O 3.41Å
159E92.7Very high94.3Very high30 Ų3058.6 Ų58.614%0.1432%0.318CS..SBendtrans-58.7140.3168.8-167.573.6-128.700109.3F161 L162 R177 P179 A180E159-F161 PolarHBondContact O-N 3.4Å; E159-L162 HydrophobicContact CB-CB 4.31Å; E159-L162 HydrophobicContact CB-CD1 4.12Å; E159-L162 HydrophobicContact CG-CD1 3.89Å; E159-L162 PolarHBondContact O-N 2.89Å; E159-L162 VanDerWaalsContact O-N 3.15Å; E159-R177 HydrophobicContact CB-CB 4.24Å; E159-R177 HydrophobicContact CB-CG 4.47Å; E159-R177 PolarHBondContact N-O 3.22Å; E159-P179 VanDerWaalsContact OE2-CA 3.28Å; E159-P179 WeakPolarHBondContact OE2-CA 3.41Å; E159-A180 PolarHBondContact OE2-N 2.94Å
160P93.6Very high94.3Very high17 Ų1758.1 Ų58.111%0.1131%0.311CS..THydrogen-bonded Turntrans-48.4130.7180-3339.2000113.7M1 E2 I5 L64 L162M1-P160 HydrophobicContact SD-CG 4.16Å; E2-P160 HydrophobicContact CG-CB 3.82Å; E2-P160 HydrophobicContact CG-CG 4.39Å; E2-P160 WeakPolarHBondContact OE1-CA 3.21Å; I5-P160 HydrophobicContact CD1-CB 3.62Å; I5-P160 HydrophobicContact CD1-CG 3.85Å; L64-P160 HydrophobicContact CD2-CG 4.05Å; P160-L162 PolarHBondContact O-N 2.81Å
161F95.9Very high94.5Very high2 Ų256.5 Ų56.51%0.00929%0.292CS..THydrogen-bonded Turntrans63.317.2176.6-44.5-53.8000115.3E2 I5 E6 M69 E72 R76 S97 M98 E159E2-F161 HydrophobicContact CB-CE1 3.95Å; E2-F161 HydrophobicContact CB-CZ 4.37Å; E2-F161 HydrophobicContact CG-CD1 4.18Å; E2-F161 HydrophobicContact CG-CE1 4.02Å; E2-F161 PolarHBondContact OE1-N 3.28Å; I5-F161 HydrophobicContact CB-CE2 3.85Å; I5-F161 HydrophobicContact CB-CZ 3.84Å; I5-F161 HydrophobicContact CD1-CE2 4.09Å; I5-F161 HydrophobicContact CD1-CZ 4.5Å; I5-F161 HydrophobicContact CG2-CE2 3.54Å; I5-F161 HydrophobicContact CG2-CZ 3.96Å; E6-F161 HydrophobicContact CG-CE1 3.72Å; E6-F161 HydrophobicContact CG-CZ 3.69Å; M69-F161 HydrophobicContact CE-CE2 4.2Å; E72-F161 HydrophobicContact CG-CB 4.39Å; E72-F161 HydrophobicContact CG-CD2 3.69Å; E72-F161 HydrophobicContact CG-CE2 4.23Å; E72-F161 HydrophobicContact CG-CG 4.25Å; R76-F161 VanDerWaalsContact NH2-CE1 3.33Å; S97-F161 WeakPolarHBondContact O-CA 3.47Å; S97-F161 WeakPolarHBondContact O-CD1 3.28Å; S97-F161 WeakPolarHBondContact OG-CA 3.28Å; M98-F161 WeakPolarHBondContact CA-O 3.3Å; M98-F161 WeakPolarHBondContact CG-O 3.31Å; E159-F161 PolarHBondContact O-N 3.4Å
162L96.4Very high94.9Very high12 Ų1254.5 Ų54.56%0.06327%0.269CS..  trans-123.143.1-176.7-61.3178.7000112.2S97 M98 K102 W143 E159 P160 W176 R177S97-L162 PolarHBondContact OG-N 2.95Å; M98-L162 VanDerWaalsContact CE-C 3.48Å; K102-L162 HydrophobicContact CD-CD2 4.17Å; W143-L162 HydrophobicContact CH2-CB 3.84Å; W143-L162 HydrophobicContact CH2-CD2 4Å; W143-L162 HydrophobicContact CH2-CG 4.41Å; W143-L162 HydrophobicContact CZ2-CB 4.32Å; W143-L162 HydrophobicContact CZ2-CD1 4.47Å; W143-L162 HydrophobicContact CZ2-CD2 4.11Å; E159-L162 HydrophobicContact CB-CB 4.31Å; E159-L162 HydrophobicContact CB-CD1 4.12Å; E159-L162 HydrophobicContact CG-CD1 3.89Å; E159-L162 PolarHBondContact O-N 2.89Å; E159-L162 VanDerWaalsContact O-N 3.15Å; P160-L162 PolarHBondContact O-N 2.81Å; L162-W176 CarbonylContact O-C 3.55Å; L162-W176 VanDerWaalsContact O-CA 3.23Å; L162-W176 WeakPolarHBondContact O-CA 3.35Å; L162-R177 HydrophobicContact CB-CB 3.86Å; L162-R177 HydrophobicContact CD1-CB 4.15Å; L162-R177 HydrophobicContact CD1-CG 4.48Å; L162-R177 PolarHBondContact O-N 3.42Å
163A97.8Very high95.1Very high5 Ų552.4 Ų52.44%0.04126%0.259CS..EExtended strand (participates in β ladder)trans-132.2142167.300000113.5T96 S97 F156 H158 I175 W176T96-A163 VanDerWaalsContact CA-O 3.31Å; T96-A163 WeakPolarHBondContact CA-O 3.35Å; T96-A163 PolarHBondContact OG1-O 3.33Å; S97-A163 PolarHBondContact N-O 2.96Å; S97-A163 PolarHBondContact OG-N 3.15Å; F156-A163 HydrophobicContact CE2-CB 3.86Å; F156-A163 HydrophobicContact CZ-CB 4.42Å; H158-A163 HydrophobicContact CB-CB 4.1Å; H158-A163 WeakPolarHBondContact CD2-CB 3.31Å; A163-I175 WeakPolarHBondContact CA-O 2.86Å; A163-W176 HydrophobicContact CB-CB 3.9Å
164I98.3Very high95.4Very high1 Ų141.2 Ų41.21%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-148.5140.7175.8-168.7174.3000110.9I93 M98 Q103 I106 T107 F166 I175I93-I164 HydrophobicContact CD1-CD1 4.16Å; M98-I164 HydrophobicContact CE-CB 4.05Å; M98-I164 HydrophobicContact CE-CG2 3.73Å; M98-I164 HydrophobicContact SD-CB 3.71Å; M98-I164 HydrophobicContact SD-CD1 4.43Å; M98-I164 HydrophobicContact SD-CG2 3.76Å; Q103-I164 HydrophobicContact CB-CD1 4.01Å; Q103-I164 HydrophobicContact CG-CD1 3.86Å; I106-I164 HydrophobicContact CD1-CG2 4.38Å; I106-I164 HydrophobicContact CG2-CG2 4.18Å; T107-I164 HydrophobicContact CG2-CD1 4.09Å; I164-F166 HydrophobicContact CD1-CD1 4.06Å; I164-F166 HydrophobicContact CG1-CD1 4.02Å; I164-F166 HydrophobicContact CG2-CD1 4.36Å; I164-F166 HydrophobicContact CG2-CE1 4.42Å; I164-I175 HydrophobicContact CG2-CB 3.95Å; I164-I175 PolarHBondContact N-O 3.09Å; I164-I175 PolarHBondContact O-N 3.49Å
165E97.9Very high95.9Very high19 Ų1938.1 Ų38.19%0.08920%0.195CC..EExtended strand (participates in β ladder)trans-129.2124.6171.7-173.7-176.5-162.900109.4F94 S95 F152 R172 C173 V174F94-E165 HydrophobicContact CB-CB 4.36Å; F94-E165 HydrophobicContact CB-CG 4.03Å; F94-E165 HydrophobicContact CD2-CG 4.21Å; F94-E165 PolarHBondContact N-O 2.65Å; S95-E165 PolarHBondContact N-O 3.03Å; S95-E165 PolarHBondContact O-N 3.27Å; S95-E165 VanDerWaalsContact OG-CB 3.28Å; S95-E165 WeakPolarHBondContact OG-CB 3.41Å; S95-E165 PolarHBondContact OG-OE2 3.4Å; F152-E165 WeakPolarHBondContact CZ-OE1 3.25Å; E165-R172 VanDerWaalsContact CD-NH2 3.29Å; E165-R172 IonicContact OE1-CZ 2.83Å; E165-R172 IonicContact OE1-NE 2.71Å; E165-R172 PolarHBondContact OE1-NE 3.48Å; E165-R172 IonicContact OE1-NH2 3.13Å; E165-R172 PolarHBondContact OE1-NH2 2.58Å; E165-R172 IonicContact OE2-NH2 2.92Å; E165-C173 VanDerWaalsContact CA-O 3.27Å; E165-C173 WeakPolarHBondContact CA-O 3.32Å; E165-V174 HydrophobicContact CG-CG2 4.4Å
166F98.2Very high96.2Very high0 Ų032 Ų320%016%0.16CC..EExtended strand (participates in β ladder)trans-149.6167.8-178.267.8-86.7000111.9I91 T92 I93 I106 T107 F110 I164 R172 C173 I175I91-F166 HydrophobicContact CG2-CB 4.13Å; I91-F166 HydrophobicContact CG2-CD2 3.88Å; I91-F166 HydrophobicContact CG2-CG 4.32Å; T92-F166 CarbonylContact O-C 3.43Å; T92-F166 WeakPolarHBondContact O-CA 3.39Å; T92-F166 WeakPolarHBondContact O-CB 3.37Å; I93-F166 HydrophobicContact CD1-CB 3.61Å; I93-F166 HydrophobicContact CD1-CG 4.45Å; I106-F166 HydrophobicContact CG2-CE1 4.11Å; T107-F166 HydrophobicContact CG2-CD1 4.02Å; T107-F166 HydrophobicContact CG2-CD2 4.01Å; T107-F166 HydrophobicContact CG2-CE1 4.14Å; T107-F166 HydrophobicContact CG2-CE2 4.12Å; T107-F166 HydrophobicContact CG2-CG 3.94Å; T107-F166 HydrophobicContact CG2-CZ 4.19Å; F110-F166 HydrophobicContact CB-CE2 4.06Å; F110-F166 HydrophobicContact CB-CZ 3.74Å; F110-F166 AromaticContact CD1-CE2 3.57Å; F110-F166 HydrophobicContact CD1-CE2 3.57Å; F110-F166 HydrophobicContact CD1-CZ 4Å; F110-F166 HydrophobicContact CE1-CE2 4.32Å; F110-F166 AromaticContact CG-CE2 4Å; F110-F166 HydrophobicContact CG-CE2 4Å; F110-F166 AromaticContact CG-CZ 3.94Å; F110-F166 HydrophobicContact CG-CZ 3.94Å; I164-F166 HydrophobicContact CD1-CD1 4.06Å; I164-F166 HydrophobicContact CG1-CD1 4.02Å; I164-F166 HydrophobicContact CG2-CD1 4.36Å; I164-F166 HydrophobicContact CG2-CE1 4.42Å; F166-R172 WeakPolarHBondContact O-CA 3.44Å; F166-C173 HydrophobicContact CD1-CB 3.98Å; F166-C173 HydrophobicContact CD2-CB 4.32Å; F166-C173 HydrophobicContact CE1-CB 3.6Å; F166-C173 HydrophobicContact CE2-CB 3.97Å; F166-C173 HydrophobicContact CG-CB 4.33Å; F166-C173 HydrophobicContact CZ-CB 3.6Å; F166-C173 PolarHBondContact N-O 3.17Å; F166-C173 PolarHBondContact O-N 3.18Å; F166-I175 HydrophobicContact CE1-CD1 4.03Å
167M98.1Very high96.5Very high62 Ų6230 Ų3031%0.30515%0.152SC..EExtended strand (participates in β ladder)trans-129.1137.1172.9166.7-179.871.300110.4I91 T92 F94 F171I91-M167 WeakPolarHBondContact CA-O 3.37Å; T92-M167 HydrophobicContact CG2-CE 4.41Å; T92-M167 PolarHBondContact N-O 2.7Å; T92-M167 PolarHBondContact O-N 3.26Å; F94-M167 HydrophobicContact CD2-CB 4.46Å; F94-M167 HydrophobicContact CE2-CB 3.52Å; F94-M167 HydrophobicContact CE2-CE 4.36Å; F94-M167 HydrophobicContact CE2-SD 4.42Å; F94-M167 HydrophobicContact CZ-CB 4.13Å; F94-M167 HydrophobicContact CZ-CE 3.81Å; F94-M167 HydrophobicContact CZ-SD 4.21Å; M167-F171 WeakPolarHBondContact CA-O 3.4Å
168Y98Very high96.7Very high27 Ų2726.6 Ų26.611%0.10613%0.128CC..EExtended strand (participates in β ladder)trans-138.7131.3170.6169.8-110.7000107.7D90 I91 F110 K111 L114 N115 K170 F171D90-Y168 WeakPolarHBondContact OD2-CE2 3.41Å; I91-Y168 HydrophobicContact CG1-CD2 4.33Å; F110-Y168 HydrophobicContact CD1-CD1 4.07Å; F110-Y168 AromaticContact CE1-CD1 3.92Å; F110-Y168 HydrophobicContact CE1-CD1 3.92Å; F110-Y168 HydrophobicContact CE1-CG 4.47Å; K111-Y168 HydrophobicContact CB-CD1 4.24Å; K111-Y168 HydrophobicContact CB-CE1 4.07Å; K111-Y168 HydrophobicContact CD-CD2 4.31Å; K111-Y168 HydrophobicContact CD-CE1 4.49Å; K111-Y168 HydrophobicContact CD-CE2 3.83Å; K111-Y168 HydrophobicContact CG-CD1 4.35Å; K111-Y168 HydrophobicContact CG-CE1 3.76Å; K111-Y168 HydrophobicContact CG-CE2 3.98Å; L114-Y168 HydrophobicContact CB-CE1 4.44Å; L114-Y168 HydrophobicContact CD2-CD1 3.67Å; L114-Y168 HydrophobicContact CD2-CE1 3.62Å; N115-Y168 PolarHBondContact ND2-OH 2.73Å; N115-Y168 PolarHBondContact OD1-OH 3.39Å; Y168-K170 PolarHBondContact O-N 3.03Å; Y168-F171 PolarHBondContact N-O 3.12Å; Y168-F171 VanDerWaalsContact N-O 3.16Å; Y168-F171 PolarHBondContact O-N 3.29Å
169D95.2Very high96.3Very high107 Ų10727.2 Ų27.257%0.57214%0.136SC*.THydrogen-bonded Turntrans52.9-132-166.2-172.637.2000110.9L114L114-D169 HydrophobicContact CD2-CB 4.38Å
170K95.3Very high95.6Very high81 Ų8128.4 Ų28.435%0.35215%0.151SC..THydrogen-bonded Turntrans-86.3-6.4177.365.2175.7-177.2152.70114.2Y118 D149 Y168Y118-K170 PolarHBondContact OH-NZ 3.45Å; D149-K170 WeakPolarHBondContact OD2-CE 3.34Å; D149-K170 IonicContact OD2-NZ 2.63Å; D149-K170 PolarHBondContact OD2-NZ 3.28Å; Y168-K170 PolarHBondContact O-N 3.03Å
171F97.6Very high94Very high7 Ų739.1 Ų39.13%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-95.9126.3-170.8-65.5-68.5000111.8F110 L114 Y118 I124 I147 I148 D149 M167 Y168F110-F171 HydrophobicContact CE1-CB 4.36Å; F110-F171 HydrophobicContact CZ-CB 3.88Å; F110-F171 HydrophobicContact CZ-CG 4.5Å; L114-F171 HydrophobicContact CD1-CD2 3.71Å; L114-F171 HydrophobicContact CD1-CE2 3.73Å; L114-F171 HydrophobicContact CD2-CD2 3.86Å; L114-F171 HydrophobicContact CD2-CE2 4.3Å; L114-F171 HydrophobicContact CG-CD2 4.46Å; Y118-F171 HydrophobicContact CD2-CE2 4.28Å; Y118-F171 HydrophobicContact CD2-CZ 4.25Å; Y118-F171 HydrophobicContact CE1-CE2 4.32Å; Y118-F171 HydrophobicContact CE1-CZ 4.48Å; Y118-F171 AromaticContact CE2-CE2 3.93Å; Y118-F171 HydrophobicContact CE2-CE2 3.93Å; Y118-F171 AromaticContact CE2-CZ 3.55Å; Y118-F171 HydrophobicContact CE2-CZ 3.55Å; Y118-F171 AromaticContact CZ-CE2 3.95Å; Y118-F171 AromaticContact CZ-CZ 3.68Å; I124-F171 HydrophobicContact CD1-CD1 4.3Å; I124-F171 HydrophobicContact CD1-CE1 3.67Å; I124-F171 HydrophobicContact CD1-CE2 4.02Å; I124-F171 HydrophobicContact CD1-CZ 3.5Å; I124-F171 HydrophobicContact CG1-CE1 4.19Å; I124-F171 HydrophobicContact CG1-CZ 4.22Å; I147-F171 HydrophobicContact CG2-CB 3.98Å; I147-F171 HydrophobicContact CG2-CD1 3.7Å; I147-F171 HydrophobicContact CG2-CE1 4.48Å; I147-F171 HydrophobicContact CG2-CG 4Å; I148-F171 WeakPolarHBondContact O-CA 3.49Å; D149-F171 HydrophobicContact CB-CD1 4.22Å; D149-F171 HydrophobicContact CB-CE1 4.02Å; M167-F171 WeakPolarHBondContact CA-O 3.4Å; Y168-F171 PolarHBondContact N-O 3.12Å; Y168-F171 VanDerWaalsContact N-O 3.16Å; Y168-F171 PolarHBondContact O-N 3.29Å
172R97.5Very high93.9Very high65 Ų6541 Ų4125%0.24522%0.217CC..EExtended strand (participates in β ladder)trans-94.9125.2169.2-169.3161173.81561.2109.6F94 I148 F152 E165 F166F94-R172 HydrophobicContact CD2-CG 4.41Å; F94-R172 HydrophobicContact CE2-CG 4.16Å; I148-R172 HydrophobicContact CB-CB 4.47Å; I148-R172 PolarHBondContact N-O 3.3Å; I148-R172 PolarHBondContact O-N 3.31Å; F152-R172 HydrophobicContact CE1-CG 3.84Å; E165-R172 VanDerWaalsContact CD-NH2 3.29Å; E165-R172 IonicContact OE1-CZ 2.83Å; E165-R172 IonicContact OE1-NE 2.71Å; E165-R172 PolarHBondContact OE1-NE 3.48Å; E165-R172 IonicContact OE1-NH2 3.13Å; E165-R172 PolarHBondContact OE1-NH2 2.58Å; E165-R172 IonicContact OE2-NH2 2.92Å; F166-R172 WeakPolarHBondContact O-CA 3.44Å
173C98.3Very high93.8Very high0 Ų042.5 Ų42.50%023%0.226CC..EExtended strand (participates in β ladder)trans-106.3129.2-179.2-66.90000109.8F110 F146 E165 F166 I175F110-C173 VanDerWaalsContact CE1-SG 3.56Å; F110-C173 VanDerWaalsContact CE2-SG 3.51Å; F110-C173 WeakPolarHBondContact CZ-SG 3.45Å; F146-C173 CarbonylContact O-C 3.56Å; F146-C173 VanDerWaalsContact O-CA 3.27Å; F146-C173 WeakPolarHBondContact O-CA 3.02Å; E165-C173 VanDerWaalsContact CA-O 3.27Å; E165-C173 WeakPolarHBondContact CA-O 3.32Å; F166-C173 HydrophobicContact CD1-CB 3.98Å; F166-C173 HydrophobicContact CD2-CB 4.32Å; F166-C173 HydrophobicContact CE1-CB 3.6Å; F166-C173 HydrophobicContact CE2-CB 3.97Å; F166-C173 HydrophobicContact CG-CB 4.33Å; F166-C173 HydrophobicContact CZ-CB 3.6Å; F166-C173 PolarHBondContact N-O 3.17Å; F166-C173 PolarHBondContact O-N 3.18Å; C173-I175 HydrophobicContact CB-CD1 4.41Å; C173-I175 HydrophobicContact CB-CG1 4.49Å
174V98.1Very high93.6Very high2 Ų244.6 Ų44.61%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-121.9114.9172.2-161.60000107.6F146 I148 F152 F156 E165 W176F146-V174 HydrophobicContact CB-CB 4.13Å; F146-V174 HydrophobicContact CB-CG2 4.42Å; F146-V174 PolarHBondContact N-O 2.91Å; F146-V174 PolarHBondContact O-N 3.04Å; I148-V174 HydrophobicContact CD1-CG2 3.98Å; F152-V174 HydrophobicContact CE1-CG2 3.73Å; F152-V174 HydrophobicContact CE2-CG2 3.59Å; F152-V174 HydrophobicContact CZ-CB 4.42Å; F152-V174 HydrophobicContact CZ-CG2 3.07Å; F156-V174 HydrophobicContact CE1-CG1 3.77Å; F156-V174 HydrophobicContact CZ-CG1 4.07Å; E165-V174 HydrophobicContact CG-CG2 4.4Å; V174-W176 HydrophobicContact CB-CZ3 4.27Å; V174-W176 HydrophobicContact CG1-CE3 3.95Å; V174-W176 HydrophobicContact CG1-CZ3 3.83Å
175I98.6Very high93.3Very high0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-133125.4-170.5-57.2-178.6000108.4I106 M131 L135 W143 Q144 V145 A163 I164 F166 C173I106-I175 HydrophobicContact CG2-CD1 3.83Å; M131-I175 HydrophobicContact CE-CD1 3.73Å; L135-I175 HydrophobicContact CD1-CG2 3.45Å; L135-I175 VanDerWaalsContact CD1-CG2 3.45Å; W143-I175 HydrophobicContact CE3-CG2 3.63Å; W143-I175 HydrophobicContact CZ3-CG2 3.82Å; Q144-I175 WeakPolarHBondContact O-CA 3.27Å; V145-I175 HydrophobicContact CG1-CD1 4.36Å; V145-I175 HydrophobicContact CG1-CG1 4.23Å; V145-I175 HydrophobicContact CG2-CG1 4.48Å; V145-I175 HydrophobicContact CG2-CG2 4.26Å; A163-I175 WeakPolarHBondContact CA-O 2.86Å; I164-I175 HydrophobicContact CG2-CB 3.95Å; I164-I175 PolarHBondContact N-O 3.09Å; I164-I175 PolarHBondContact O-N 3.49Å; F166-I175 HydrophobicContact CE1-CD1 4.03Å; C173-I175 HydrophobicContact CB-CD1 4.41Å; C173-I175 HydrophobicContact CB-CG1 4.49Å
176W98Very high93Very high34 Ų3448.9 Ų48.913%0.12926%0.259CS..EExtended strand (participates in β ladder)trans-148.5153.4174.371.597.5000112.3W143 Q144 F146 F156 H158 L162 A163 V174W143-W176 WeakPolarHBondContact CA-O 3.32Å; Q144-W176 HydrophobicContact CB-CD2 3.78Å; Q144-W176 HydrophobicContact CB-CE3 4.08Å; Q144-W176 HydrophobicContact CB-CG 4.4Å; Q144-W176 HydrophobicContact CB-CH2 3.98Å; Q144-W176 HydrophobicContact CB-CZ2 3.64Å; Q144-W176 HydrophobicContact CB-CZ3 4.18Å; Q144-W176 HydrophobicContact CG-CD2 4.28Å; Q144-W176 HydrophobicContact CG-CZ2 3.78Å; Q144-W176 PolarHBondContact N-O 3.17Å; Q144-W176 PolarHBondContact O-N 2.92Å; Q144-W176 VanDerWaalsContact O-N 3.1Å; F146-W176 AromaticContact CD2-CH2 3.56Å; F146-W176 HydrophobicContact CD2-CH2 3.56Å; F146-W176 AromaticContact CD2-CZ3 3.48Å; F146-W176 HydrophobicContact CD2-CZ3 3.48Å; F146-W176 VanDerWaalsContact CD2-CZ3 3.48Å; F146-W176 AromaticContact CE2-CH2 3.2Å; F146-W176 HydrophobicContact CE2-CH2 3.2Å; F146-W176 HydrophobicContact CE2-CZ2 4.07Å; F146-W176 AromaticContact CE2-CZ3 3.67Å; F146-W176 HydrophobicContact CE2-CZ3 3.67Å; F146-W176 HydrophobicContact CG-CZ3 4.44Å; F146-W176 AromaticContact CZ-CH2 4Å; F146-W176 HydrophobicContact CZ-CH2 4Å; F156-W176 HydrophobicContact CB-CZ2 4.29Å; F156-W176 HydrophobicContact CD1-CE3 4.49Å; F156-W176 HydrophobicContact CD2-CB 4.01Å; F156-W176 AromaticContact CD2-CD1 3.96Å; F156-W176 AromaticContact CD2-CD2 3.71Å; F156-W176 HydrophobicContact CD2-CD2 3.71Å; F156-W176 HydrophobicContact CD2-CE3 4.16Å; F156-W176 AromaticContact CD2-CG 3.63Å; F156-W176 HydrophobicContact CD2-CG 3.63Å; F156-W176 HydrophobicContact CE2-CB 3.71Å; F156-W176 HydrophobicContact CE2-CD2 4.02Å; F156-W176 HydrophobicContact CE2-CE3 4.19Å; F156-W176 AromaticContact CE2-CG 3.83Å; F156-W176 HydrophobicContact CE2-CG 3.83Å; F156-W176 HydrophobicContact CG-CD2 4.1Å; F156-W176 HydrophobicContact CG-CE3 4.32Å; F156-W176 HydrophobicContact CG-CG 4.46Å; F156-W176 HydrophobicContact CZ-CE3 4.37Å; H158-W176 HydrophobicContact CB-CB 3.85Å; H158-W176 HydrophobicContact CB-CG 4.24Å; L162-W176 CarbonylContact O-C 3.55Å; L162-W176 VanDerWaalsContact O-CA 3.23Å; L162-W176 WeakPolarHBondContact O-CA 3.35Å; A163-W176 HydrophobicContact CB-CB 3.9Å; V174-W176 HydrophobicContact CB-CZ3 4.27Å; V174-W176 HydrophobicContact CG1-CE3 3.95Å; V174-W176 HydrophobicContact CG1-CZ3 3.83Å
177R96.7Very high92.7Very high5 Ų552.1 Ų52.12%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-91.6129.2167.7-167.6170165-145.2-31109.4K65 E68 Y139 K141 L142 W143 H158 E159 L162K65-R177 VanDerWaalsContact NZ-NH2 3.2Å; E68-R177 VanDerWaalsContact CD-NH1 3.33Å; E68-R177 IonicContact OE1-CZ 2.65Å; E68-R177 IonicContact OE1-NH1 3.93Å; E68-R177 PolarHBondContact OE1-NH1 3.43Å; E68-R177 VanDerWaalsContact OE1-NH1 3.13Å; E68-R177 IonicContact OE1-NH2 3.81Å; E68-R177 IonicContact OE2-CZ 3.93Å; E68-R177 IonicContact OE2-NH1 3.94Å; E68-R177 PolarHBondContact OE2-NH1 2.58Å; E68-R177 IonicContact OE2-NH2 3.03Å; Y139-R177 PolarHBondContact O-NH1 2.9Å; K141-R177 PolarHBondContact O-NE 2.9Å; L142-R177 HydrophobicContact CB-CG 4.5Å; W143-R177 HydrophobicContact CD2-CB 3.87Å; W143-R177 HydrophobicContact CD2-CG 4.37Å; W143-R177 HydrophobicContact CE3-CB 4.04Å; W143-R177 HydrophobicContact CG-CB 4.46Å; W143-R177 HydrophobicContact CH2-CB 4.13Å; W143-R177 HydrophobicContact CZ2-CB 3.95Å; W143-R177 HydrophobicContact CZ3-CB 4.17Å; H158-R177 CarbonylContact C-O 3.48Å; H158-R177 WeakPolarHBondContact CA-O 3.41Å; E159-R177 HydrophobicContact CB-CB 4.24Å; E159-R177 HydrophobicContact CB-CG 4.47Å; E159-R177 PolarHBondContact N-O 3.22Å; L162-R177 HydrophobicContact CB-CB 3.86Å; L162-R177 HydrophobicContact CD1-CB 4.15Å; L162-R177 HydrophobicContact CD1-CG 4.48Å; L162-R177 PolarHBondContact O-N 3.42Å
178S94Very high92.3Very high28 Ų2851.4 Ų51.420%0.19628%0.275CS..PPolyproline II helixtrans-73.6144.4175.1-54.60000109.9L142 Q144 A180L142-S178 PolarHBondContact O-N 3.17Å; Q144-S178 PolarHBondContact NE2-OG 2.96Å; S178-A180 PolarHBondContact O-N 3.06Å
179P86.9Confident91.9Very high67 Ų6753.3 Ų53.344%0.43529%0.288SS..PPolyproline II helixtrans-53.6135.9174.1-25.835.2000111.6E159E159-P179 VanDerWaalsContact OE2-CA 3.28Å; E159-P179 WeakPolarHBondContact OE2-CA 3.41Å
180A76.5Confident91.6Very high55 Ų5548.8 Ų48.846%0.45526%0.264SS..PPolyproline II helixtrans-76.8139.9167.700000110.1L142 E159 S178L142-A180 HydrophobicContact CD1-CB 4.32Å; E159-A180 PolarHBondContact OE2-N 2.94Å; S178-A180 PolarHBondContact O-N 3.06Å
181D61.6Low91.2Very high242 Ų24245.9 Ų45.9100%1.29426%0.256SS*.  trans-64.90169.9-67.1-36.6000112

Retrieved 181 of 181 residues in 473.6 ms (Link to these results)

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