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Tetraspanin

Structural component of specialized membrane microdomains known as tetraspanin-enriched microdomains (TERMs), which act as platforms for receptor clustering and signaling. Participates thereby in diverse biological functions such as cell signal transduction, adhesion, migration and protein trafficking. Regulates neuronal differentiation in response to NGF by facilitating NGF-mediated activation of NTRK1/TRKA receptor tyrosine kinase and subsequent downstream signaling pathways. Plays a role in the inhibition of TNFalpha-induced apoptosis. Mechanistically, inhibits the NF-kappa-B signaling pathway by blocking phosphorylation of CHUK. Also promotes the stability of the thiamine transporter 1/SLC19A2 in intestinal epithelial cells leading to an increase of thiamine uptake process.

AlphaFold DB (A0A2K5LYQ6), UniProt , Accession A0A096N1N8, Species PAPAN (Papio anubis, Olive baboon), Gene TSPAN1, Length 240 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
1M63.5Low84.3Confident211 Ų21187.8 Ų87.8100%1.03946%0.456SS*.  0-480-64.6-169179.400112.8C3 F4 S5M1-C3 PolarHBondContact O-N 3.3Å; M1-F4 PolarHBondContact O-N 3.37Å; M1-S5 PolarHBondContact O-N 3.36Å
2Q71.8Confident85Confident178 Ų17884.7 Ų84.783%0.83244%0.44SS*.Hα-helixtrans-59.1-40.5-178.3-69.6172.2-2000115F6Q2-F6 PolarHBondContact O-N 3.28Å; Q2-F6 VanDerWaalsContact O-N 3.07Å
3C80.7Confident85.8Confident79 Ų7985.3 Ų85.353%0.53444%0.443SS..Hα-helixtrans-64.9-39.8178.1-172.20000112.9M1 F6 I7M1-C3 PolarHBondContact O-N 3.3Å; C3-F6 PolarHBondContact O-N 2.86Å; C3-I7 WeakPolarHBondContact O-CG1 3.36Å; C3-I7 PolarHBondContact O-N 3.2Å
4F84.3Confident86.3Confident44 Ų4487.1 Ų87.119%0.19345%0.446CS..Hα-helixtrans-63.5-46.5178.4178.1-97.8000111.7M1 F6 I7 K8 Y234 L235 N238 L239M1-F4 PolarHBondContact O-N 3.37Å; F4-F6 PolarHBondContact O-N 2.8Å; F4-I7 PolarHBondContact O-N 3.44Å; F4-K8 WeakPolarHBondContact O-CB 3.49Å; F4-K8 PolarHBondContact O-N 3.3Å; F4-Y234 HydrophobicContact CD2-CE1 4.1Å; F4-L235 HydrophobicContact CD2-CD2 3.91Å; F4-L235 HydrophobicContact CE2-CD2 3.46Å; F4-L235 VanDerWaalsContact CE2-CD2 3.46Å; F4-L235 HydrophobicContact CZ-CD2 3.99Å; F4-N238 HydrophobicContact CD2-CB 3.69Å; F4-N238 HydrophobicContact CE2-CB 3.52Å; F4-L239 HydrophobicContact CZ-CD2 4.07Å
5S85.9Confident86.8Confident68 Ų6881.9 Ų81.948%0.47642%0.42SS..Hα-helixtrans-62.7-40.9175.5-61.80000112.2M1 K8 T9M1-S5 PolarHBondContact O-N 3.36Å; S5-K8 PolarHBondContact O-N 3.01Å; S5-T9 WeakPolarHBondContact O-CB 3.43Å; S5-T9 PolarHBondContact O-N 2.8Å; S5-T9 PolarHBondContact O-OG1 3.37Å
6F89.4Confident87.3Confident138 Ų13882.1 Ų82.161%0.60542%0.421SS*.Hα-helixtrans-61.2-49.3177.2178.4-101000112.3Q2 C3 F4 K8 T9 L10Q2-F6 PolarHBondContact O-N 3.28Å; Q2-F6 VanDerWaalsContact O-N 3.07Å; C3-F6 PolarHBondContact O-N 2.86Å; F4-F6 PolarHBondContact O-N 2.8Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 2.93Å; F6-T9 PolarHBondContact O-N 2.76Å; F6-L10 HydrophobicContact CE1-CD2 4.42Å; F6-L10 WeakPolarHBondContact O-CB 3.17Å; F6-L10 PolarHBondContact O-N 2.86Å
7I90Very high87.8Confident37 Ų3782.7 Ų82.719%0.1943%0.425CS..Hα-helixtrans-62.5-42.4179.1-68.6171.2000110.9C3 F4 L10 M11 V231 Y234 L235C3-I7 WeakPolarHBondContact O-CG1 3.36Å; C3-I7 PolarHBondContact O-N 3.2Å; F4-I7 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 3.4Å; I7-M11 WeakPolarHBondContact O-CB 3.24Å; I7-M11 PolarHBondContact O-N 3.44Å; I7-V231 HydrophobicContact CG2-CB 4.46Å; I7-V231 HydrophobicContact CG2-CG1 3.56Å; I7-V231 HydrophobicContact CG2-CG2 4.24Å; I7-Y234 HydrophobicContact CD1-CD1 4.05Å; I7-Y234 HydrophobicContact CD1-CE1 3.66Å; I7-Y234 HydrophobicContact CG2-CD1 4.2Å; I7-L235 HydrophobicContact CG2-CD2 4.42Å
8K89.4Confident88.1Confident37 Ų3782.2 Ų82.216%0.16142%0.422CS..Hα-helixtrans-60.5-48.2175.6173.6168.3162.2152.90111.8F4 S5 F6 L10 M11 I12 A78 E81 L235F4-K8 WeakPolarHBondContact O-CB 3.49Å; F4-K8 PolarHBondContact O-N 3.3Å; S5-K8 PolarHBondContact O-N 3.01Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 2.93Å; K8-L10 VanDerWaalsContact C-N 3.33Å; K8-L10 PolarHBondContact O-N 3.25Å; K8-M11 PolarHBondContact O-N 3.45Å; K8-I12 HydrophobicContact CG-CD1 3.99Å; K8-I12 WeakPolarHBondContact O-CG1 3.31Å; K8-I12 PolarHBondContact O-N 3.07Å; K8-A78 WeakPolarHBondContact CE-O 3.5Å; K8-A78 PolarHBondContact NZ-O 3.25Å; K8-E81 IonicContact NZ-OE1 2.67Å; K8-E81 PolarHBondContact NZ-OE1 3.47Å; K8-L235 HydrophobicContact CB-CD2 4.12Å
9T90.6Very high88.6Confident90 Ų9080.4 Ų80.455%0.55241%0.411SS*.Hα-helixtrans-61.5-42.1177.6-61.80000111.6S5 F6 I12 L13S5-T9 WeakPolarHBondContact O-CB 3.43Å; S5-T9 PolarHBondContact O-N 2.8Å; S5-T9 PolarHBondContact O-OG1 3.37Å; F6-T9 PolarHBondContact O-N 2.76Å; T9-I12 PolarHBondContact O-N 3.07Å; T9-L13 WeakPolarHBondContact O-CB 3.37Å; T9-L13 PolarHBondContact O-N 3.48Å
10L91.1Very high89Confident73 Ų7381.2 Ų81.238%0.38242%0.416SS..Hα-helixtrans-62.5-45.3177.9-169.866.1000111.6F6 I7 K8 I12 L13 F14F6-L10 HydrophobicContact CE1-CD2 4.42Å; F6-L10 WeakPolarHBondContact O-CB 3.17Å; F6-L10 PolarHBondContact O-N 2.86Å; I7-L10 PolarHBondContact O-N 3.4Å; K8-L10 VanDerWaalsContact C-N 3.33Å; K8-L10 PolarHBondContact O-N 3.25Å; L10-I12 PolarHBondContact O-N 2.95Å; L10-L13 PolarHBondContact O-N 3Å; L10-F14 HydrophobicContact CD1-CD2 3.86Å; L10-F14 HydrophobicContact CD1-CE2 3.38Å; L10-F14 HydrophobicContact CD1-CZ 4.3Å; L10-F14 HydrophobicContact CD2-CE2 4.14Å; L10-F14 HydrophobicContact CG-CD2 3.75Å; L10-F14 HydrophobicContact CG-CE2 3.58Å; L10-F14 VanDerWaalsContact O-CD2 3.29Å; L10-F14 WeakPolarHBondContact O-CD2 3.35Å; L10-F14 PolarHBondContact O-N 3.46Å
11M90.8Very high89.3Confident11 Ų1181 Ų815%0.05442%0.421CS..Hα-helixtrans-60.1-44.5176.4-177176172.900111.6I7 K8 N15 A78 F89 V231 L235I7-M11 WeakPolarHBondContact O-CB 3.24Å; I7-M11 PolarHBondContact O-N 3.44Å; K8-M11 PolarHBondContact O-N 3.45Å; M11-N15 VanDerWaalsContact CG-ND2 3.35Å; M11-N15 WeakPolarHBondContact CG-ND2 2.98Å; M11-N15 WeakPolarHBondContact O-CB 3.26Å; M11-N15 PolarHBondContact O-N 3.37Å; M11-N15 PolarHBondContact O-ND2 3.34Å; M11-A78 HydrophobicContact CE-CB 4.5Å; M11-A78 HydrophobicContact CG-CB 4.33Å; M11-A78 HydrophobicContact SD-CB 4.1Å; M11-F89 HydrophobicContact CE-CD1 3.98Å; M11-F89 HydrophobicContact CE-CE1 3.84Å; M11-V231 HydrophobicContact CB-CG1 4.03Å; M11-V231 HydrophobicContact CG-CG1 4.25Å; M11-V231 HydrophobicContact SD-CG1 3.83Å; M11-L235 HydrophobicContact SD-CD1 3.37Å; M11-L235 WeakPolarHBondContact SD-CD1 3.21Å
12I93.1Very high90.9Very high50 Ų5070.9 Ų70.926%0.25637%0.371SS..Hα-helixtrans-62.1-45.5177.5-67.7166.3000110.3K8 T9 L10 N15 L16 C75 A78K8-I12 HydrophobicContact CG-CD1 3.99Å; K8-I12 WeakPolarHBondContact O-CG1 3.31Å; K8-I12 PolarHBondContact O-N 3.07Å; T9-I12 PolarHBondContact O-N 3.07Å; L10-I12 PolarHBondContact O-N 2.95Å; I12-N15 PolarHBondContact O-N 2.92Å; I12-L16 WeakPolarHBondContact O-CB 3.26Å; I12-L16 PolarHBondContact O-N 2.99Å; I12-C75 PolarHBondContact O-SG 3.44Å; I12-A78 HydrophobicContact CD1-CB 4.14Å; I12-A78 HydrophobicContact CG1-CB 3.54Å
13L94.3Very high92.1Very high93 Ų9364 Ų6449%0.48735%0.345SS..Hα-helixtrans-63-47.1-178.6-174.5144.2000111.9T9 L10 L16 L17T9-L13 WeakPolarHBondContact O-CB 3.37Å; T9-L13 PolarHBondContact O-N 3.48Å; L10-L13 PolarHBondContact O-N 3Å; L13-L16 PolarHBondContact O-N 3.32Å; L13-L17 HydrophobicContact CD2-CD1 3.98Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.45Å; L13-L17 VanDerWaalsContact O-N 3.08Å
14F92.8Very high92.8Very high110 Ų11062.9 Ų62.948%0.48234%0.341SS..Hα-helixtrans-65.5-44.6178-80.3-63.9000112.5L10 L16 L17 I18L10-F14 HydrophobicContact CD1-CD2 3.86Å; L10-F14 HydrophobicContact CD1-CE2 3.38Å; L10-F14 HydrophobicContact CD1-CZ 4.3Å; L10-F14 HydrophobicContact CD2-CE2 4.14Å; L10-F14 HydrophobicContact CG-CD2 3.75Å; L10-F14 HydrophobicContact CG-CE2 3.58Å; L10-F14 VanDerWaalsContact O-CD2 3.29Å; L10-F14 WeakPolarHBondContact O-CD2 3.35Å; L10-F14 PolarHBondContact O-N 3.46Å; F14-L16 PolarHBondContact O-N 2.98Å; F14-L17 WeakPolarHBondContact O-CB 3.48Å; F14-L17 PolarHBondContact O-N 2.89Å; F14-I18 WeakPolarHBondContact O-CG1 3.37Å; F14-I18 PolarHBondContact O-N 3.45Å
15N93.9Very high93.3Very high10 Ų1064.1 Ų64.15%0.05335%0.349CS..Hα-helixtrans-67.3-28.1178.2-77.1-78.9000112.3M11 I12 I18 F19 G71 C75 F89M11-N15 VanDerWaalsContact CG-ND2 3.35Å; M11-N15 WeakPolarHBondContact CG-ND2 2.98Å; M11-N15 WeakPolarHBondContact O-CB 3.26Å; M11-N15 PolarHBondContact O-N 3.37Å; M11-N15 PolarHBondContact O-ND2 3.34Å; I12-N15 PolarHBondContact O-N 2.92Å; N15-I18 PolarHBondContact O-N 2.92Å; N15-F19 VanDerWaalsContact O-CB 3.26Å; N15-F19 WeakPolarHBondContact O-CB 3.32Å; N15-F19 PolarHBondContact O-N 2.91Å; N15-G71 WeakPolarHBondContact O-CA 3.43Å; N15-C75 VanDerWaalsContact CB-SG 3.54Å; N15-F89 WeakPolarHBondContact OD1-CE2 3.45Å; N15-F89 WeakPolarHBondContact OD1-CZ 3.35Å
16L95.3Very high93.7Very high85 Ų8562.4 Ų62.445%0.44533%0.334SS..Hα-helixtrans-68.4-41.4173.1-177.865.4000111I12 L13 F14 F19 L20 C75I12-L16 WeakPolarHBondContact O-CB 3.26Å; I12-L16 PolarHBondContact O-N 2.99Å; L13-L16 PolarHBondContact O-N 3.32Å; F14-L16 PolarHBondContact O-N 2.98Å; L16-F19 HydrophobicContact CD1-CD1 4.36Å; L16-F19 WeakPolarHBondContact O-CB 3.34Å; L16-F19 PolarHBondContact O-N 2.93Å; L16-L20 HydrophobicContact CG-CD1 4.5Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.49Å; L16-C75 PolarHBondContact N-SG 2.92Å
17L95.4Very high93.8Very high92 Ų9258.6 Ų58.648%0.48233%0.329SS..Hα-helixtrans-61.9-45.5173.4-68173.8000111.1L13 F14 F19 L20 C21L13-L17 HydrophobicContact CD2-CD1 3.98Å; L13-L17 WeakPolarHBondContact O-CG 3.36Å; L13-L17 PolarHBondContact O-N 3.45Å; L13-L17 VanDerWaalsContact O-N 3.08Å; F14-L17 WeakPolarHBondContact O-CB 3.48Å; F14-L17 PolarHBondContact O-N 2.89Å; L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 3.36Å; L17-L20 PolarHBondContact O-N 3.22Å; L17-C21 WeakPolarHBondContact O-CB 3.44Å; L17-C21 PolarHBondContact O-N 3.46Å; L17-C21 PolarHBondContact O-SG 3.38Å; L17-C21 VanDerWaalsContact O-SG 3.34Å
18I94.3Very high93.7Very high73 Ų7360 Ų6037%0.37434%0.339SS..Hα-helixtrans-59.3-44.7175.9-67169.4000110.7F14 N15 L20 C21 G22 V67F14-I18 WeakPolarHBondContact O-CG1 3.37Å; F14-I18 PolarHBondContact O-N 3.45Å; N15-I18 PolarHBondContact O-N 2.92Å; I18-L20 PolarHBondContact O-N 3.33Å; I18-C21 PolarHBondContact O-N 3.5Å; I18-G22 PolarHBondContact O-N 2.89Å; I18-V67 HydrophobicContact CG2-CG1 3.64Å
19F96.4Very high93.7Very high49 Ų4958.2 Ų58.222%0.21533%0.331CS..Hα-helixtrans-58.2-46.2176.1173.3-96.5000112.1N15 L16 L17 G22 A23 F68 F72N15-F19 VanDerWaalsContact O-CB 3.26Å; N15-F19 WeakPolarHBondContact O-CB 3.32Å; N15-F19 PolarHBondContact O-N 2.91Å; L16-F19 HydrophobicContact CD1-CD1 4.36Å; L16-F19 WeakPolarHBondContact O-CB 3.34Å; L16-F19 PolarHBondContact O-N 2.93Å; L17-F19 VanDerWaalsContact C-N 3.32Å; L17-F19 PolarHBondContact O-N 3.36Å; F19-G22 PolarHBondContact O-N 3.01Å; F19-A23 WeakPolarHBondContact O-CB 3.32Å; F19-A23 PolarHBondContact O-N 3.48Å; F19-F68 AromaticContact CD2-CD2 3.76Å; F19-F68 HydrophobicContact CD2-CD2 3.76Å; F19-F68 AromaticContact CD2-CE2 3.76Å; F19-F68 HydrophobicContact CD2-CE2 3.76Å; F19-F68 HydrophobicContact CD2-CG 4.26Å; F19-F68 HydrophobicContact CD2-CZ 4.21Å; F19-F68 WeakPolarHBondContact CD2-O 3.3Å; F19-F68 HydrophobicContact CE1-CE2 4.06Å; F19-F68 HydrophobicContact CE2-CD1 4.29Å; F19-F68 AromaticContact CE2-CD2 3.55Å; F19-F68 HydrophobicContact CE2-CD2 3.55Å; F19-F68 AromaticContact CE2-CE1 3.85Å; F19-F68 HydrophobicContact CE2-CE1 3.85Å; F19-F68 AromaticContact CE2-CE2 3.04Å; F19-F68 HydrophobicContact CE2-CE2 3.04Å; F19-F68 HydrophobicContact CE2-CG 4.16Å; F19-F68 AromaticContact CE2-CZ 3.22Å; F19-F68 HydrophobicContact CE2-CZ 3.22Å; F19-F68 HydrophobicContact CG-CD2 4.46Å; F19-F68 HydrophobicContact CZ-CD2 4.06Å; F19-F68 AromaticContact CZ-CE2 3.22Å; F19-F68 HydrophobicContact CZ-CE2 3.22Å; F19-F68 AromaticContact CZ-CZ 3.53Å; F19-F68 HydrophobicContact CZ-CZ 3.53Å; F19-F72 HydrophobicContact CD2-CB 3.88Å; F19-F72 HydrophobicContact CE2-CB 3.98Å; F19-F72 HydrophobicContact CE2-CD2 4.27Å
20L97.1Very high93.6Very high95 Ų9557.8 Ų57.850%0.49732%0.324SS..Hα-helixtrans-66.1-40.4177.7-68.5175.5000112L16 L17 I18 A23 A24L16-L20 HydrophobicContact CG-CD1 4.5Å; L16-L20 VanDerWaalsContact O-CG 3.3Å; L16-L20 WeakPolarHBondContact O-CG 3.38Å; L16-L20 PolarHBondContact O-N 3.49Å; L17-L20 PolarHBondContact O-N 3.22Å; I18-L20 PolarHBondContact O-N 3.33Å; L20-A23 PolarHBondContact O-N 3.35Å; L20-A24 WeakPolarHBondContact O-CB 3.35Å; L20-A24 PolarHBondContact O-N 3.47Å
21C95.6Very high93.3Very high77 Ų7760.2 Ų60.252%0.5233%0.329SS..Hα-helixtrans-61.9-43.8173.1-71.30000111.5L17 I18 A24 L25L17-C21 WeakPolarHBondContact O-CB 3.44Å; L17-C21 PolarHBondContact O-N 3.46Å; L17-C21 PolarHBondContact O-SG 3.38Å; L17-C21 VanDerWaalsContact O-SG 3.34Å; I18-C21 PolarHBondContact O-N 3.5Å; C21-A24 PolarHBondContact O-N 3.33Å; C21-L25 WeakPolarHBondContact O-CB 3.45Å; C21-L25 WeakPolarHBondContact O-CG 3.31Å; C21-L25 PolarHBondContact O-N 2.98Å
22G96.4Very high92.7Very high0 Ų060.2 Ų60.20%033%0.329CS..Hα-helixtrans-61.2-43174.800000112.5I18 F19 A24 L25 L26I18-G22 PolarHBondContact O-N 2.89Å; F19-G22 PolarHBondContact O-N 3.01Å; G22-A24 PolarHBondContact O-N 3.5Å; G22-L25 PolarHBondContact O-N 2.94Å; G22-L26 WeakPolarHBondContact O-CB 3.4Å; G22-L26 WeakPolarHBondContact O-CG 3.44Å; G22-L26 PolarHBondContact O-N 3.38Å
23A97.2Very high92Very high34 Ų3459 Ų5928%0.28133%0.325SS..Hα-helixtrans-62.6-41.7175.300000112.2F19 L20 L26 A27 F68F19-A23 WeakPolarHBondContact O-CB 3.32Å; F19-A23 PolarHBondContact O-N 3.48Å; L20-A23 PolarHBondContact O-N 3.35Å; A23-L26 PolarHBondContact O-N 3Å; A23-A27 WeakPolarHBondContact O-CB 3.42Å; A23-A27 PolarHBondContact O-N 3.5Å; A23-F68 HydrophobicContact CB-CD2 3.85Å; A23-F68 HydrophobicContact CB-CE2 4.03Å
24A95.8Very high91.3Very high54 Ų5461.2 Ų61.245%0.44634%0.336SS..Hα-helixtrans-64.7-45.4175.800000111.6L20 C21 G22 L26 A27 V28L20-A24 WeakPolarHBondContact O-CB 3.35Å; L20-A24 PolarHBondContact O-N 3.47Å; C21-A24 PolarHBondContact O-N 3.33Å; G22-A24 PolarHBondContact O-N 3.5Å; A24-L26 PolarHBondContact O-N 3Å; A24-A27 PolarHBondContact O-N 2.96Å; A24-V28 WeakPolarHBondContact O-CG2 3.13Å; A24-V28 PolarHBondContact O-N 2.89Å
25L94Very high90.3Very high71 Ų7159 Ų5937%0.37233%0.329SS..Hα-helixtrans-61-42.8176-74.7174000112C21 G22 V28 G29C21-L25 WeakPolarHBondContact O-CB 3.45Å; C21-L25 WeakPolarHBondContact O-CG 3.31Å; C21-L25 PolarHBondContact O-N 2.98Å; G22-L25 PolarHBondContact O-N 2.94Å; L25-V28 PolarHBondContact O-N 2.9Å; L25-G29 PolarHBondContact O-N 3.31Å
26L94.2Very high88.9Confident31 Ų3159 Ų5916%0.16233%0.331CS..Hα-helixtrans-58.5-49.7172.7-82.2173.1000111.8G22 A23 A24 V28 G29 I30 I61 G64 A65 F68G22-L26 WeakPolarHBondContact O-CB 3.4Å; G22-L26 WeakPolarHBondContact O-CG 3.44Å; G22-L26 PolarHBondContact O-N 3.38Å; A23-L26 PolarHBondContact O-N 3Å; A24-L26 PolarHBondContact O-N 3Å; L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.33Å; L26-G29 PolarHBondContact O-N 3.3Å; L26-I30 WeakPolarHBondContact O-CB 3.36Å; L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.27Å; L26-I30 PolarHBondContact O-N 3.29Å; L26-I61 HydrophobicContact CD2-CG2 4.14Å; L26-I61 WeakPolarHBondContact CD2-O 3.19Å; L26-G64 VanDerWaalsContact CG-C 3.46Å; L26-A65 HydrophobicContact CD2-CB 3.93Å; L26-A65 VanDerWaalsContact CD2-N 3.34Å; L26-F68 HydrophobicContact CD1-CB 3.75Å; L26-F68 HydrophobicContact CD1-CD1 4.39Å; L26-F68 HydrophobicContact CD1-CD2 4.21Å; L26-F68 HydrophobicContact CD1-CG 3.88Å
27A92.5Very high87.2Confident59 Ų5957.7 Ų57.749%0.48833%0.333SS..Hα-helixtrans-60.4-44.5-179.500000111.3A23 A24 I30 W31A23-A27 WeakPolarHBondContact O-CB 3.42Å; A23-A27 PolarHBondContact O-N 3.5Å; A24-A27 PolarHBondContact O-N 2.96Å; A27-I30 PolarHBondContact O-N 3.06Å; A27-W31 VanDerWaalsContact O-CB 3.25Å; A27-W31 WeakPolarHBondContact O-CB 3.3Å; A27-W31 PolarHBondContact O-N 2.9Å
28V88.3Confident85.6Confident66 Ų6654.9 Ų54.940%0.432%0.321SS..Hα-helixtrans-63.8-44.9175.4173.70000111A24 L25 L26 I30 W31 V32 F39A24-V28 WeakPolarHBondContact O-CG2 3.13Å; A24-V28 PolarHBondContact O-N 2.89Å; L25-V28 PolarHBondContact O-N 2.9Å; L26-V28 VanDerWaalsContact C-N 3.33Å; L26-V28 PolarHBondContact O-N 3.33Å; V28-I30 PolarHBondContact O-N 3.45Å; V28-W31 PolarHBondContact O-N 2.92Å; V28-V32 HydrophobicContact CG1-CG2 4.29Å; V28-V32 WeakPolarHBondContact O-CB 3.24Å; V28-V32 VanDerWaalsContact O-CG2 3.28Å; V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 3.5Å; V28-F39 HydrophobicContact CG1-CE2 4.45Å
29G88.1Confident84.1Confident0 Ų053.9 Ų53.90%031%0.314CS..Hα-helixtrans-62.7-40.5178.900000113.3L25 L26 S33 I61L25-G29 PolarHBondContact O-N 3.31Å; L26-G29 PolarHBondContact O-N 3.3Å; G29-S33 WeakPolarHBondContact O-CB 3.42Å; G29-S33 PolarHBondContact O-N 2.98Å; G29-S33 PolarHBondContact O-OG 2.84Å; G29-I61 VanDerWaalsContact C-CG1 3.44Å
30I89.4Confident82.2Confident80 Ų8052.1 Ų52.141%0.4131%0.307SS..Hα-helixtrans-65.8-46.2174-67.7169.1000110.1L26 A27 V28 V32 S33 I34 I61L26-I30 WeakPolarHBondContact O-CB 3.36Å; L26-I30 VanDerWaalsContact O-CG1 3.25Å; L26-I30 WeakPolarHBondContact O-CG1 3.27Å; L26-I30 PolarHBondContact O-N 3.29Å; A27-I30 PolarHBondContact O-N 3.06Å; V28-I30 PolarHBondContact O-N 3.45Å; I30-V32 PolarHBondContact O-N 3.1Å; I30-S33 PolarHBondContact O-N 2.86Å; I30-I34 HydrophobicContact CG2-CD1 3.5Å; I30-I34 VanDerWaalsContact CG2-CD1 3.5Å; I30-I34 HydrophobicContact CG2-CG1 4.28Å; I30-I34 WeakPolarHBondContact O-CG1 3.34Å; I30-I34 PolarHBondContact O-N 3.43Å; I30-I61 HydrophobicContact CG1-CD1 4.08Å; I30-I61 HydrophobicContact CG1-CG1 4.02Å
31W84.4Confident80.3Confident125 Ų12555.8 Ų55.847%0.47332%0.319SS..Hα-helixtrans-58.3-47.7178.6-173.6-80.3000111.6A27 V28 S33 I34 D35 F39A27-W31 VanDerWaalsContact O-CB 3.25Å; A27-W31 WeakPolarHBondContact O-CB 3.3Å; A27-W31 PolarHBondContact O-N 2.9Å; V28-W31 PolarHBondContact O-N 2.92Å; W31-S33 VanDerWaalsContact C-N 3.31Å; W31-S33 PolarHBondContact O-N 3.4Å; W31-I34 PolarHBondContact O-N 3.25Å; W31-D35 CarbonylContact O-C 3.34Å; W31-D35 PolarHBondContact O-N 3.36Å; W31-F39 AromaticContact CD1-CD2 3.86Å
32V77.8Confident78.6Confident10 Ų1057.7 Ų57.76%0.06132%0.322CS..Hα-helixtrans-63.4-37.2177.4170.60000111.7V28 I30 G36 F39 F53V28-V32 HydrophobicContact CG1-CG2 4.29Å; V28-V32 WeakPolarHBondContact O-CB 3.24Å; V28-V32 VanDerWaalsContact O-CG2 3.28Å; V28-V32 WeakPolarHBondContact O-CG2 3.45Å; V28-V32 PolarHBondContact O-N 3.5Å; I30-V32 PolarHBondContact O-N 3.1Å; V32-G36 PolarHBondContact O-N 2.93Å; V32-F39 HydrophobicContact CG2-CD1 4.29Å; V32-F39 HydrophobicContact CG2-CD2 4.1Å; V32-F39 HydrophobicContact CG2-CE1 4.45Å; V32-F39 HydrophobicContact CG2-CE2 4.26Å; V32-F39 HydrophobicContact CG2-CG 4.12Å; V32-F39 HydrophobicContact CG2-CZ 4.44Å; V32-F53 HydrophobicContact CG1-CB 3.96Å; V32-F53 HydrophobicContact CG1-CD1 4.12Å; V32-F53 HydrophobicContact CG1-CG 4.37Å
33S78.9Confident77Confident24 Ų2464.6 Ų64.617%0.16835%0.353CS..Hα-helixtrans-72.1-34179.9-59.70000113.7G29 I30 W31 G57 I61G29-S33 WeakPolarHBondContact O-CB 3.42Å; G29-S33 PolarHBondContact O-N 2.98Å; G29-S33 PolarHBondContact O-OG 2.84Å; I30-S33 PolarHBondContact O-N 2.86Å; W31-S33 VanDerWaalsContact C-N 3.31Å; W31-S33 PolarHBondContact O-N 3.4Å; S33-G57 WeakPolarHBondContact OG-CA 3.3Å; S33-I61 WeakPolarHBondContact OG-CD1 3.15Å
34I80.7Confident74.7Confident141 Ų14164.3 Ų64.372%0.72335%0.353SS*.Hα-helixtrans-95-43.1-174.8-61.4175.2000111.8I30 W31I30-I34 HydrophobicContact CG2-CD1 3.5Å; I30-I34 VanDerWaalsContact CG2-CD1 3.5Å; I30-I34 HydrophobicContact CG2-CG1 4.28Å; I30-I34 WeakPolarHBondContact O-CG1 3.34Å; I30-I34 PolarHBondContact O-N 3.43Å; W31-I34 PolarHBondContact O-N 3.25Å
35D71.2Confident72.3Confident62 Ų6267 Ų6733%0.33237%0.366SS..  trans-138.161-175.3-166.91.7000111.4W31 A37 S38 F39W31-D35 CarbonylContact O-C 3.34Å; W31-D35 PolarHBondContact O-N 3.36Å; D35-A37 PolarHBondContact O-N 3.44Å; D35-S38 VanDerWaalsContact CG-CB 3.43Å; D35-S38 PolarHBondContact O-N 3.19Å; D35-S38 PolarHBondContact OD1-N 3.48Å; D35-S38 PolarHBondContact OD1-OG 2.86Å; D35-S38 WeakPolarHBondContact OD2-CB 3.38Å; D35-S38 PolarHBondContact OD2-OG 3.44Å; D35-F39 PolarHBondContact O-N 3Å
36G64Low70Confident10 Ų1066.2 Ų66.210%0.10336%0.362CS..Hα-helixtrans-51.2-38.9170.700000111.6V32 S38 F39 L40V32-G36 PolarHBondContact O-N 2.93Å; G36-S38 PolarHBondContact O-N 3.43Å; G36-F39 WeakPolarHBondContact O-CB 3.48Å; G36-F39 PolarHBondContact O-N 2.99Å; G36-L40 VanDerWaalsContact O-CD1 3.27Å; G36-L40 WeakPolarHBondContact O-CD1 3.39Å; G36-L40 WeakPolarHBondContact O-CG 3.29Å; G36-L40 PolarHBondContact O-N 3.33Å
37A59.3Low67.7Low58 Ų5865.7 Ų65.748%0.47936%0.361SS..Hα-helixtrans-61.8-36.4-178.500000114.2D35 K41D35-A37 PolarHBondContact O-N 3.44Å; A37-K41 PolarHBondContact O-N 2.98Å
38S62.9Low65.3Low34 Ų3467.2 Ų67.224%0.23837%0.368CS..Hα-helixtrans-78.5-33.2176.7-66.80000113.5D35 G36 L40 K41 I42D35-S38 VanDerWaalsContact CG-CB 3.43Å; D35-S38 PolarHBondContact O-N 3.19Å; D35-S38 PolarHBondContact OD1-N 3.48Å; D35-S38 PolarHBondContact OD1-OG 2.86Å; D35-S38 WeakPolarHBondContact OD2-CB 3.38Å; D35-S38 PolarHBondContact OD2-OG 3.44Å; G36-S38 PolarHBondContact O-N 3.43Å; S38-L40 PolarHBondContact O-N 3.32Å; S38-K41 PolarHBondContact O-N 3.05Å; S38-I42 PolarHBondContact O-N 2.93Å
39F61.3Low63.3Low52 Ų5265.3 Ų65.323%0.22836%0.358CS..Hα-helixtrans-53.5-39.6172.3-174.6-103.2000111.3V28 W31 V32 D35 G36 I42 F43V28-F39 HydrophobicContact CG1-CE2 4.45Å; W31-F39 AromaticContact CD1-CD2 3.86Å; V32-F39 HydrophobicContact CG2-CD1 4.29Å; V32-F39 HydrophobicContact CG2-CD2 4.1Å; V32-F39 HydrophobicContact CG2-CE1 4.45Å; V32-F39 HydrophobicContact CG2-CE2 4.26Å; V32-F39 HydrophobicContact CG2-CG 4.12Å; V32-F39 HydrophobicContact CG2-CZ 4.44Å; D35-F39 PolarHBondContact O-N 3Å; G36-F39 WeakPolarHBondContact O-CB 3.48Å; G36-F39 PolarHBondContact O-N 2.99Å; F39-I42 PolarHBondContact O-N 3.34Å; F39-F43 HydrophobicContact CD1-CD2 4.47Å; F39-F43 AromaticContact CD2-CD2 3.82Å; F39-F43 HydrophobicContact CD2-CD2 3.82Å; F39-F43 AromaticContact CD2-CE2 3.99Å; F39-F43 HydrophobicContact CD2-CE2 3.99Å; F39-F43 HydrophobicContact CE1-CD2 4.27Å; F39-F43 AromaticContact CE2-CD2 3.59Å; F39-F43 HydrophobicContact CE2-CD2 3.59Å; F39-F43 AromaticContact CE2-CE2 3.65Å; F39-F43 HydrophobicContact CE2-CE2 3.65Å; F39-F43 HydrophobicContact CG-CD2 4.26Å; F39-F43 AromaticContact CZ-CD2 3.83Å; F39-F43 HydrophobicContact CZ-CD2 3.83Å; F39-F43 HydrophobicContact CZ-CE2 4.24Å; F39-F43 HydrophobicContact CZ-CG 4.41Å; F39-F43 WeakPolarHBondContact O-CD2 3.48Å; F39-F43 PolarHBondContact O-N 2.99Å
40L56.6Low61.4Low11 Ų1168.8 Ų68.86%0.05839%0.387CS..Hα-helixtrans-78.3-24.1-176.4-58.6170000114.3G36 S38 I42 G44 L46 S47 F53G36-L40 VanDerWaalsContact O-CD1 3.27Å; G36-L40 WeakPolarHBondContact O-CD1 3.39Å; G36-L40 WeakPolarHBondContact O-CG 3.29Å; G36-L40 PolarHBondContact O-N 3.33Å; S38-L40 PolarHBondContact O-N 3.32Å; L40-I42 VanDerWaalsContact C-N 3.25Å; L40-G44 CarbonylContact C-O 3.32Å; L40-G44 CarbonylContact O-C 2.91Å; L40-G44 WeakPolarHBondContact O-CA 3.28Å; L40-G44 PolarHBondContact O-N 3.28Å; L40-G44 VanDerWaalsContact O-N 3.15Å; L40-L46 VanDerWaalsContact CD1-C 3.44Å; L40-L46 WeakPolarHBondContact CD1-O 3.41Å; L40-L46 VanDerWaalsContact CD2-C 3.44Å; L40-L46 VanDerWaalsContact CD2-CA 3.49Å; L40-L46 HydrophobicContact CD2-CB 3.31Å; L40-L46 HydrophobicContact CD2-CD1 4.34Å; L40-L46 HydrophobicContact CD2-CG 4.39Å; L40-L46 WeakPolarHBondContact CD2-O 3.35Å; L40-S47 WeakPolarHBondContact CD1-O 3.48Å; L40-F53 HydrophobicContact CD1-CE2 4.01Å; L40-F53 HydrophobicContact CD1-CZ 4.31Å; L40-F53 HydrophobicContact CD2-CZ 4.19Å
41K58.6Low59.2Low173 Ų17372.5 Ų72.575%0.75240%0.404SS*.Hα-helixtrans-70.7-28.3171.7-72.1174.6-176.6170.20111.6A37 S38A37-K41 PolarHBondContact O-N 2.98Å; S38-K41 PolarHBondContact O-N 3.05Å
42I60Low57.4Low116 Ų11668.5 Ų68.560%0.59539%0.391SS*.Hα-helixtrans-88.9-42.2-176.8-62.1170.6000111S38 F39 L40S38-I42 PolarHBondContact O-N 2.93Å; F39-I42 PolarHBondContact O-N 3.34Å; L40-I42 VanDerWaalsContact C-N 3.25Å
43F62.2Low56.2Low145 Ų14569.6 Ų69.664%0.63640%0.395SS*.Hα-helixtrans-100.38.7-175.8-66.5-76.3000114.4F39F39-F43 HydrophobicContact CD1-CD2 4.47Å; F39-F43 AromaticContact CD2-CD2 3.82Å; F39-F43 HydrophobicContact CD2-CD2 3.82Å; F39-F43 AromaticContact CD2-CE2 3.99Å; F39-F43 HydrophobicContact CD2-CE2 3.99Å; F39-F43 HydrophobicContact CE1-CD2 4.27Å; F39-F43 AromaticContact CE2-CD2 3.59Å; F39-F43 HydrophobicContact CE2-CD2 3.59Å; F39-F43 AromaticContact CE2-CE2 3.65Å; F39-F43 HydrophobicContact CE2-CE2 3.65Å; F39-F43 HydrophobicContact CG-CD2 4.26Å; F39-F43 AromaticContact CZ-CD2 3.83Å; F39-F43 HydrophobicContact CZ-CD2 3.83Å; F39-F43 HydrophobicContact CZ-CE2 4.24Å; F39-F43 HydrophobicContact CZ-CG 4.41Å; F39-F43 WeakPolarHBondContact O-CD2 3.48Å; F39-F43 PolarHBondContact O-N 2.99Å
44G48.9Very low55Low29 Ų2969.9 Ų69.930%0.29940%0.395SS..  trans93.8154.3-177.400000112.2L40 L46L40-G44 CarbonylContact C-O 3.32Å; L40-G44 CarbonylContact O-C 2.91Å; L40-G44 WeakPolarHBondContact O-CA 3.28Å; L40-G44 PolarHBondContact O-N 3.28Å; L40-G44 VanDerWaalsContact O-N 3.15Å; G44-L46 VanDerWaalsContact C-N 3.33Å; G44-L46 PolarHBondContact O-N 3.47Å
45P44.2Very low54.4Low109 Ų10969 Ų6971%0.70839%0.392SS*.  trans-70.588.9-166.430.1-33.4000109.8S47 Q138P45-S47 PolarHBondContact O-N 3.36Å; P45-Q138 VanDerWaalsContact O-CD 3.26Å; P45-Q138 PolarHBondContact O-NE2 3.35Å; P45-Q138 PolarHBondContact O-OE1 2.93Å
46L46.3Very low54.4Low55 Ų5570.1 Ų70.129%0.28840%0.401SS..  trans-90.149.4152.8-58.3128.8000110L40 G44 F53 Q138L40-L46 VanDerWaalsContact CD1-C 3.44Å; L40-L46 WeakPolarHBondContact CD1-O 3.41Å; L40-L46 VanDerWaalsContact CD2-C 3.44Å; L40-L46 VanDerWaalsContact CD2-CA 3.49Å; L40-L46 HydrophobicContact CD2-CB 3.31Å; L40-L46 HydrophobicContact CD2-CD1 4.34Å; L40-L46 HydrophobicContact CD2-CG 4.39Å; L40-L46 WeakPolarHBondContact CD2-O 3.35Å; G44-L46 VanDerWaalsContact C-N 3.33Å; G44-L46 PolarHBondContact O-N 3.47Å; L46-F53 HydrophobicContact CB-CZ 4.49Å; L46-F53 VanDerWaalsContact O-CZ 3.25Å; L46-F53 WeakPolarHBondContact O-CZ 3.4Å; L46-Q138 VanDerWaalsContact CA-OE1 3.28Å; L46-Q138 HydrophobicContact CD2-CG 3.82Å
47S45.8Very low55.2Low20 Ų2069.7 Ų69.714%0.1440%0.396CS..  trans55.3174.4151.6139.80000120.9L40 P45 K134 D135L40-S47 WeakPolarHBondContact CD1-O 3.48Å; P45-S47 PolarHBondContact O-N 3.36Å; S47-K134 VanDerWaalsContact OG-CA 3.3Å; S47-K134 WeakPolarHBondContact OG-CA 3.42Å; S47-K134 WeakPolarHBondContact OG-CB 3.12Å; S47-K134 PolarHBondContact OG-O 3.3Å; S47-D135 WeakPolarHBondContact CA-OD1 3.32Å; S47-D135 WeakPolarHBondContact CB-OD1 3Å; S47-D135 PolarHBondContact OG-N 3.32Å; S47-D135 PolarHBondContact OG-OD1 2.88Å
48S43.1Very low56.4Low91 Ų9173.3 Ų73.364%0.63640%0.399SS*.SBendtrans-117.193.4-162.3-1.80000111.9D135S48-D135 PolarHBondContact N-OD1 3.28Å; S48-D135 VanDerWaalsContact N-OD1 3.15Å
49S45.8Very low57.5Low27 Ų2778.7 Ų78.719%0.18942%0.418CS..  trans-164.284.2172.4-55.90000110.7M51 K134 D135S49-M51 PolarHBondContact O-N 3.45Å; S49-K134 PolarHBondContact OG-N 2.89Å; S49-D135 WeakPolarHBondContact CA-OD2 3.37Å; S49-D135 WeakPolarHBondContact CB-OD2 3.4Å; S49-D135 PolarHBondContact N-OD2 3.2Å
50A47.6Very low58.8Low73 Ų7378.4 Ų78.460%0.60342%0.418SS*.Hα-helixtrans-53.2-21.4-173.400000116.3Q52 V54A50-Q52 PolarHBondContact O-N 3.04Å; A50-V54 WeakPolarHBondContact O-CG2 3.46Å; A50-V54 PolarHBondContact O-N 3.02Å
51M43.8Very low60.5Low158 Ų15879.9 Ų79.978%0.77843%0.426SS*.Hα-helixtrans-80.1-19.6-164.8-152.9172.5-75.800115.3S49S49-M51 PolarHBondContact O-N 3.45Å
52Q47.5Very low62.1Low41 Ų4174.4 Ų74.419%0.19241%0.413CS..Hα-helixtrans-103-25.5175.7-77.9-179.3-19.600114A50 V54 N55 V56 D129 F136A50-Q52 PolarHBondContact O-N 3.04Å; Q52-V54 PolarHBondContact O-N 3.31Å; Q52-N55 PolarHBondContact O-N 2.93Å; Q52-V56 PolarHBondContact O-N 3.02Å; Q52-D129 VanDerWaalsContact NE2-CB 3.31Å; Q52-D129 VanDerWaalsContact NE2-CG 3.26Å; Q52-D129 PolarHBondContact NE2-OD2 3.24Å; Q52-F136 VanDerWaalsContact CD-CD2 3.41Å; Q52-F136 VanDerWaalsContact OE1-CG 3.32Å
53F51.3Low63.6Low33 Ų3370.5 Ų70.515%0.14540%0.398CS..Hα-helixtrans-59.5-28.3162.9-76.3-58.3000112.2V32 L40 L46 N55 V56 G57 D135V32-F53 HydrophobicContact CG1-CB 3.96Å; V32-F53 HydrophobicContact CG1-CD1 4.12Å; V32-F53 HydrophobicContact CG1-CG 4.37Å; L40-F53 HydrophobicContact CD1-CE2 4.01Å; L40-F53 HydrophobicContact CD1-CZ 4.31Å; L40-F53 HydrophobicContact CD2-CZ 4.19Å; L46-F53 HydrophobicContact CB-CZ 4.49Å; L46-F53 VanDerWaalsContact O-CZ 3.25Å; L46-F53 WeakPolarHBondContact O-CZ 3.4Å; F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 PolarHBondContact O-N 2.99Å; F53-V56 PolarHBondContact O-N 2.67Å; F53-G57 VanDerWaalsContact O-CA 3.32Å; F53-G57 WeakPolarHBondContact O-CA 3.26Å; F53-G57 PolarHBondContact O-N 2.93Å; F53-D135 HydrophobicContact CD2-CB 4.28Å; F53-D135 VanDerWaalsContact CD2-OD2 3.26Å; F53-D135 WeakPolarHBondContact CD2-OD2 3.28Å; F53-D135 HydrophobicContact CE2-CB 3.63Å; F53-D135 WeakPolarHBondContact CE2-OD2 3.3Å; F53-D135 HydrophobicContact CZ-CB 3.81Å
54V54.9Low65.2Low30 Ų3063.6 Ų63.618%0.18237%0.368CS..Hα-helixtrans-60.3-36.6172.6165.50000111.3A50 Q52 Y58A50-V54 WeakPolarHBondContact O-CG2 3.46Å; A50-V54 PolarHBondContact O-N 3.02Å; Q52-V54 PolarHBondContact O-N 3.31Å; V54-Y58 HydrophobicContact CB-CE2 4.31Å; V54-Y58 HydrophobicContact CG1-CD2 3.54Å; V54-Y58 HydrophobicContact CG1-CE2 2.97Å; V54-Y58 VanDerWaalsContact O-CB 3.24Å; V54-Y58 WeakPolarHBondContact O-CB 3.13Å; V54-Y58 WeakPolarHBondContact O-CD2 3.41Å; V54-Y58 PolarHBondContact O-N 3.42Å
55N66.4Low67.5Low122 Ų12264.2 Ų64.265%0.65237%0.37SS*.Hα-helixtrans-72.2-45.5177.2-95.838000113.4Q52 F53 F59Q52-N55 PolarHBondContact O-N 2.93Å; F53-N55 VanDerWaalsContact C-N 3.29Å; F53-N55 PolarHBondContact O-N 2.99Å; N55-F59 PolarHBondContact O-N 3.38Å
56V71.8Confident69.9Low86 Ų8662.7 Ų62.752%0.52136%0.359SS..Hα-helixtrans-69.2-39.4176.6-179.90000110.6Q52 F53 F59 L60Q52-V56 PolarHBondContact O-N 3.02Å; F53-V56 PolarHBondContact O-N 2.67Å; V56-F59 WeakPolarHBondContact O-CB 3.47Å; V56-F59 PolarHBondContact O-N 2.93Å; V56-L60 HydrophobicContact CG1-CD1 4.34Å; V56-L60 WeakPolarHBondContact O-CG 3.34Å; V56-L60 PolarHBondContact O-N 2.93Å
57G79.9Confident72.2Confident0 Ų062.2 Ų62.20%036%0.358CS..Hα-helixtrans-60.2-46.7173.500000111.7S33 F53 F59 L60 I61S33-G57 WeakPolarHBondContact OG-CA 3.3Å; F53-G57 VanDerWaalsContact O-CA 3.32Å; F53-G57 WeakPolarHBondContact O-CA 3.26Å; F53-G57 PolarHBondContact O-N 2.93Å; G57-F59 VanDerWaalsContact C-N 3.34Å; G57-F59 PolarHBondContact O-N 2.98Å; G57-L60 PolarHBondContact O-N 2.85Å; G57-I61 WeakPolarHBondContact O-CB 3.43Å; G57-I61 WeakPolarHBondContact O-CG1 3.14Å; G57-I61 PolarHBondContact O-N 3.49Å
58Y85Confident74.6Confident135 Ų13564.7 Ų64.753%0.52937%0.366SS..Hα-helixtrans-63.4-37.5173.6-72-40.1000112.9V54 I61 A62V54-Y58 HydrophobicContact CB-CE2 4.31Å; V54-Y58 HydrophobicContact CG1-CD2 3.54Å; V54-Y58 HydrophobicContact CG1-CE2 2.97Å; V54-Y58 VanDerWaalsContact O-CB 3.24Å; V54-Y58 WeakPolarHBondContact O-CB 3.13Å; V54-Y58 WeakPolarHBondContact O-CD2 3.41Å; V54-Y58 PolarHBondContact O-N 3.42Å; Y58-I61 HydrophobicContact CD1-CD1 4.1Å; Y58-I61 PolarHBondContact O-N 2.85Å; Y58-A62 WeakPolarHBondContact O-CB 3.36Å; Y58-A62 PolarHBondContact O-N 3.29Å
59F85.8Confident77.1Confident146 Ų14662.4 Ų62.464%0.6435%0.353SS*.Hα-helixtrans-62.1-46.6172.9179.1-96000111.4N55 V56 G57 I61 A62 A63N55-F59 PolarHBondContact O-N 3.38Å; V56-F59 WeakPolarHBondContact O-CB 3.47Å; V56-F59 PolarHBondContact O-N 2.93Å; G57-F59 VanDerWaalsContact C-N 3.34Å; G57-F59 PolarHBondContact O-N 2.98Å; F59-I61 VanDerWaalsContact C-N 3.33Å; F59-I61 PolarHBondContact O-N 3.41Å; F59-A62 PolarHBondContact O-N 3.46Å; F59-A63 WeakPolarHBondContact O-CB 3.4Å; F59-A63 PolarHBondContact O-N 3.34Å
60L88.4Confident79.4Confident46 Ų4662.1 Ų62.124%0.24135%0.349CS..Hα-helixtrans-62.2-38.5175.6-71.5173.4000112.1V56 G57 G64V56-L60 HydrophobicContact CG1-CD1 4.34Å; V56-L60 WeakPolarHBondContact O-CG 3.34Å; V56-L60 PolarHBondContact O-N 2.93Å; G57-L60 PolarHBondContact O-N 2.85Å; L60-G64 WeakPolarHBondContact O-CA 3.44Å; L60-G64 PolarHBondContact O-N 3.32Å
61I92.8Very high81.6Confident43 Ų4358.7 Ų58.722%0.22132%0.321CS..Hα-helixtrans-63.7-48.8174.4-69.1164.5000110L26 G29 I30 S33 G57 Y58 F59 G64 A65L26-I61 HydrophobicContact CD2-CG2 4.14Å; L26-I61 WeakPolarHBondContact CD2-O 3.19Å; G29-I61 VanDerWaalsContact C-CG1 3.44Å; I30-I61 HydrophobicContact CG1-CD1 4.08Å; I30-I61 HydrophobicContact CG1-CG1 4.02Å; S33-I61 WeakPolarHBondContact OG-CD1 3.15Å; G57-I61 WeakPolarHBondContact O-CB 3.43Å; G57-I61 WeakPolarHBondContact O-CG1 3.14Å; G57-I61 PolarHBondContact O-N 3.49Å; Y58-I61 HydrophobicContact CD1-CD1 4.1Å; Y58-I61 PolarHBondContact O-N 2.85Å; F59-I61 VanDerWaalsContact C-N 3.33Å; F59-I61 PolarHBondContact O-N 3.41Å; I61-G64 PolarHBondContact O-N 3.46Å; I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.43Å; I61-A65 PolarHBondContact O-N 2.87Å
62A92.6Very high84Confident57 Ų5756.2 Ų56.247%0.47131%0.306SS..Hα-helixtrans-62.8-49.6-179.700000111.5Y58 F59 A65 V66Y58-A62 WeakPolarHBondContact O-CB 3.36Å; Y58-A62 PolarHBondContact O-N 3.29Å; F59-A62 PolarHBondContact O-N 3.46Å; A62-A65 PolarHBondContact O-N 3.29Å; A62-V66 WeakPolarHBondContact O-CG2 3.37Å; A62-V66 PolarHBondContact O-N 3.46Å; A62-V66 VanDerWaalsContact O-N 3.12Å
63A92.3Very high86.2Confident35 Ų3556.2 Ų56.229%0.28931%0.307SS..Hα-helixtrans-61.6-47177.300000111.4F59 A65 V66 V67F59-A63 WeakPolarHBondContact O-CB 3.4Å; F59-A63 PolarHBondContact O-N 3.34Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 3.48Å; A63-V66 PolarHBondContact O-N 2.8Å; A63-V67 VanDerWaalsContact O-CG2 3.32Å; A63-V67 WeakPolarHBondContact O-CG2 3.35Å; A63-V67 PolarHBondContact O-N 2.9Å
64G95.6Very high88Confident0 Ų054.7 Ų54.70%030%0.3CS..Hα-helixtrans-59.7-40.7176.600000112.5L26 L60 I61 V67 F68L26-G64 VanDerWaalsContact CG-C 3.46Å; L60-G64 WeakPolarHBondContact O-CA 3.44Å; L60-G64 PolarHBondContact O-N 3.32Å; I61-G64 PolarHBondContact O-N 3.46Å; G64-V67 PolarHBondContact O-N 3.38Å; G64-F68 WeakPolarHBondContact O-CB 3.39Å; G64-F68 PolarHBondContact O-N 3.43Å
65A96.1Very high89.8Confident42 Ų4254.2 Ų54.235%0.34730%0.298SS..Hα-helixtrans-62.4-44.5177.800000111.8L26 I61 A62 A63 A69L26-A65 HydrophobicContact CD2-CB 3.93Å; L26-A65 VanDerWaalsContact CD2-N 3.34Å; I61-A65 VanDerWaalsContact O-CB 3.24Å; I61-A65 WeakPolarHBondContact O-CB 3.43Å; I61-A65 PolarHBondContact O-N 2.87Å; A62-A65 PolarHBondContact O-N 3.29Å; A63-A65 VanDerWaalsContact C-N 3.32Å; A63-A65 PolarHBondContact O-N 3.48Å; A65-A69 VanDerWaalsContact O-CB 3.3Å; A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 2.94Å
66V94.4Very high91Very high77 Ų7753.4 Ų53.447%0.46729%0.286SS..Hα-helixtrans-62.9-49.8177.3172.50000110.4A62 A63 F68 A69 L70A62-V66 WeakPolarHBondContact O-CG2 3.37Å; A62-V66 PolarHBondContact O-N 3.46Å; A62-V66 VanDerWaalsContact O-N 3.12Å; A63-V66 PolarHBondContact O-N 2.8Å; V66-F68 VanDerWaalsContact C-N 3.35Å; V66-F68 PolarHBondContact O-N 3.08Å; V66-A69 PolarHBondContact O-N 3.49Å; V66-L70 HydrophobicContact CG1-CD1 3.93Å; V66-L70 HydrophobicContact CG1-CG 4.45Å; V66-L70 WeakPolarHBondContact O-CB 3.47Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.33Å; V66-L70 PolarHBondContact O-N 3.44Å
67V95Very high91.8Very high45 Ų4549.3 Ų49.327%0.27326%0.262SS..Hα-helixtrans-62.6-41.6179.7176.20000111.5I18 A63 G64 L70 G71I18-V67 HydrophobicContact CG2-CG1 3.64Å; A63-V67 VanDerWaalsContact O-CG2 3.32Å; A63-V67 WeakPolarHBondContact O-CG2 3.35Å; A63-V67 PolarHBondContact O-N 2.9Å; G64-V67 PolarHBondContact O-N 3.38Å; V67-L70 PolarHBondContact O-N 3.13Å; V67-G71 PolarHBondContact O-N 2.99Å
68F96.4Very high92.3Very high71 Ų7149.4 Ų49.431%0.31126%0.263SS..Hα-helixtrans-61.1-48.9175.4177.1-91.9000111.7F19 A23 L26 G64 V66 L70 G71 F72F19-F68 AromaticContact CD2-CD2 3.76Å; F19-F68 HydrophobicContact CD2-CD2 3.76Å; F19-F68 AromaticContact CD2-CE2 3.76Å; F19-F68 HydrophobicContact CD2-CE2 3.76Å; F19-F68 HydrophobicContact CD2-CG 4.26Å; F19-F68 HydrophobicContact CD2-CZ 4.21Å; F19-F68 WeakPolarHBondContact CD2-O 3.3Å; F19-F68 HydrophobicContact CE1-CE2 4.06Å; F19-F68 HydrophobicContact CE2-CD1 4.29Å; F19-F68 AromaticContact CE2-CD2 3.55Å; F19-F68 HydrophobicContact CE2-CD2 3.55Å; F19-F68 AromaticContact CE2-CE1 3.85Å; F19-F68 HydrophobicContact CE2-CE1 3.85Å; F19-F68 AromaticContact CE2-CE2 3.04Å; F19-F68 HydrophobicContact CE2-CE2 3.04Å; F19-F68 HydrophobicContact CE2-CG 4.16Å; F19-F68 AromaticContact CE2-CZ 3.22Å; F19-F68 HydrophobicContact CE2-CZ 3.22Å; F19-F68 HydrophobicContact CG-CD2 4.46Å; F19-F68 HydrophobicContact CZ-CD2 4.06Å; F19-F68 AromaticContact CZ-CE2 3.22Å; F19-F68 HydrophobicContact CZ-CE2 3.22Å; F19-F68 AromaticContact CZ-CZ 3.53Å; F19-F68 HydrophobicContact CZ-CZ 3.53Å; A23-F68 HydrophobicContact CB-CD2 3.85Å; A23-F68 HydrophobicContact CB-CE2 4.03Å; L26-F68 HydrophobicContact CD1-CB 3.75Å; L26-F68 HydrophobicContact CD1-CD1 4.39Å; L26-F68 HydrophobicContact CD1-CD2 4.21Å; L26-F68 HydrophobicContact CD1-CG 3.88Å; G64-F68 WeakPolarHBondContact O-CB 3.39Å; G64-F68 PolarHBondContact O-N 3.43Å; V66-F68 VanDerWaalsContact C-N 3.35Å; V66-F68 PolarHBondContact O-N 3.08Å; F68-L70 PolarHBondContact O-N 3.42Å; F68-G71 PolarHBondContact O-N 3.01Å; F68-F72 WeakPolarHBondContact O-CB 3.42Å; F68-F72 PolarHBondContact O-N 2.91Å
69A95.1Very high92.5Very high44 Ų4449.8 Ų49.836%0.36427%0.269SS..Hα-helixtrans-63.4-41.2178.900000111.8A65 V66 F72 L73A65-A69 VanDerWaalsContact O-CB 3.3Å; A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 2.94Å; V66-A69 PolarHBondContact O-N 3.49Å; A69-F72 PolarHBondContact O-N 3.22Å; A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 VanDerWaalsContact O-CG 3.29Å; A69-L73 WeakPolarHBondContact O-CG 3.28Å; A69-L73 PolarHBondContact O-N 3.41Å
70L94.3Very high92.6Very high21 Ų2145.9 Ų45.911%0.1126%0.257CS..Hα-helixtrans-61.4-49.1175.6-77.7173.2000112.2V66 V67 F68 F72 L73 G74 F89 I92 L93 I96V66-L70 HydrophobicContact CG1-CD1 3.93Å; V66-L70 HydrophobicContact CG1-CG 4.45Å; V66-L70 WeakPolarHBondContact O-CB 3.47Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.33Å; V66-L70 PolarHBondContact O-N 3.44Å; V67-L70 PolarHBondContact O-N 3.13Å; F68-L70 PolarHBondContact O-N 3.42Å; L70-F72 VanDerWaalsContact C-N 3.31Å; L70-F72 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.38Å; L70-G74 PolarHBondContact O-N 2.98Å; L70-F89 HydrophobicContact CD2-CD2 4.45Å; L70-I92 HydrophobicContact CD2-CB 4.03Å; L70-I92 HydrophobicContact CD2-CG2 3.53Å; L70-I92 HydrophobicContact CG-CG2 4.49Å; L70-L93 HydrophobicContact CD2-CD2 4.43Å; L70-I96 HydrophobicContact CD1-CD1 3.67Å
71G94.5Very high92.6Very high0 Ų048.2 Ų48.20%027%0.267CS..Hα-helixtrans-61.2-40.1176.700000112.2N15 V67 F68 C75N15-G71 WeakPolarHBondContact O-CA 3.43Å; V67-G71 PolarHBondContact O-N 2.99Å; F68-G71 PolarHBondContact O-N 3.01Å; G71-C75 WeakPolarHBondContact O-CB 3.4Å; G71-C75 PolarHBondContact O-N 3.41Å; G71-C75 PolarHBondContact O-SG 3.34Å; G71-C75 VanDerWaalsContact O-SG 3.42Å
72F93.6Very high92.6Very high106 Ų10647.8 Ų47.847%0.46527%0.268SS..Hα-helixtrans-62.4-49.3174.6177.5-100.6000111.8F19 F68 A69 L70 G74 C75 Y76F19-F72 HydrophobicContact CD2-CB 3.88Å; F19-F72 HydrophobicContact CE2-CB 3.98Å; F19-F72 HydrophobicContact CE2-CD2 4.27Å; F68-F72 WeakPolarHBondContact O-CB 3.42Å; F68-F72 PolarHBondContact O-N 2.91Å; A69-F72 PolarHBondContact O-N 3.22Å; L70-F72 VanDerWaalsContact C-N 3.31Å; L70-F72 PolarHBondContact O-N 2.83Å; F72-G74 PolarHBondContact O-N 3.06Å; F72-C75 PolarHBondContact O-N 3.04Å; F72-Y76 HydrophobicContact CZ-CD2 4.41Å; F72-Y76 WeakPolarHBondContact O-CB 3.36Å; F72-Y76 PolarHBondContact O-N 3.02Å
73L93.1Very high92.5Very high42 Ų4248.8 Ų48.822%0.2226%0.262CS..Hα-helixtrans-62.1-41.2179.6-74.3172000112.1A69 L70 G77 F89 I92A69-L73 WeakPolarHBondContact O-CB 3.42Å; A69-L73 VanDerWaalsContact O-CG 3.29Å; A69-L73 WeakPolarHBondContact O-CG 3.28Å; A69-L73 PolarHBondContact O-N 3.41Å; L70-L73 PolarHBondContact O-N 3.38Å; L73-G77 PolarHBondContact O-N 3.38Å; L73-F89 HydrophobicContact CB-CD2 4.5Å; L73-I92 HydrophobicContact CD1-CD1 3.82Å
74G90.8Very high92.5Very high0 Ų051.5 Ų51.50%028%0.278CS..Hα-helixtrans-63.6-46.7176.800000112.5L70 F72 A78L70-G74 PolarHBondContact O-N 2.98Å; F72-G74 PolarHBondContact O-N 3.06Å; G74-A78 WeakPolarHBondContact O-CB 3.48Å; G74-A78 PolarHBondContact O-N 3.14Å; G74-A78 VanDerWaalsContact O-N 3.13Å
75C91.7Very high92.3Very high20 Ų2052 Ų5214%0.13528%0.281CS..Hα-helixtrans-62.8-49.9174.4-76.70000112.3I12 N15 L16 G71 F72 G77 A78 Q79I12-C75 PolarHBondContact O-SG 3.44Å; N15-C75 VanDerWaalsContact CB-SG 3.54Å; L16-C75 PolarHBondContact N-SG 2.92Å; G71-C75 WeakPolarHBondContact O-CB 3.4Å; G71-C75 PolarHBondContact O-N 3.41Å; G71-C75 PolarHBondContact O-SG 3.34Å; G71-C75 VanDerWaalsContact O-SG 3.42Å; F72-C75 PolarHBondContact O-N 3.04Å; C75-G77 PolarHBondContact O-N 3.06Å; C75-A78 PolarHBondContact O-N 3.1Å; C75-Q79 VanDerWaalsContact O-CB 3.31Å; C75-Q79 WeakPolarHBondContact O-CB 3.28Å; C75-Q79 PolarHBondContact O-N 2.84Å
76Y92Very high92.1Very high105 Ų10550 Ų5041%0.41227%0.265SS..Hα-helixtrans-60.6-46.7-178.6176.8-99.8000111.1F72 Q79 T80 A85F72-Y76 HydrophobicContact CZ-CD2 4.41Å; F72-Y76 WeakPolarHBondContact O-CB 3.36Å; F72-Y76 PolarHBondContact O-N 3.02Å; Y76-Q79 PolarHBondContact O-N 2.76Å; Y76-T80 HydrophobicContact CD2-CG2 3.73Å; Y76-T80 HydrophobicContact CE2-CG2 3.47Å; Y76-T80 VanDerWaalsContact CE2-CG2 3.47Å; Y76-T80 HydrophobicContact CG-CG2 4.37Å; Y76-T80 WeakPolarHBondContact O-CB 3.43Å; Y76-T80 WeakPolarHBondContact O-CG2 3.46Å; Y76-T80 PolarHBondContact O-N 3.43Å; Y76-T80 PolarHBondContact O-OG1 2.93Å; Y76-A85 HydrophobicContact CD1-CB 3.81Å; Y76-A85 HydrophobicContact CE1-CB 4.06Å
77G88.9Confident92.1Very high0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-59.6-49.5177.500000112.1L73 C75 Q79 E81 S82 L86L73-G77 PolarHBondContact O-N 3.38Å; C75-G77 PolarHBondContact O-N 3.06Å; G77-Q79 PolarHBondContact O-N 2.85Å; G77-E81 PolarHBondContact O-N 3.41Å; G77-E81 VanDerWaalsContact O-N 3.08Å; G77-S82 PolarHBondContact O-N 3.01Å; G77-L86 VanDerWaalsContact C-CD1 3.4Å; G77-L86 WeakPolarHBondContact O-CD1 3.47Å
78A89Confident92.1Very high3 Ų349.2 Ų49.23%0.02526%0.258CS..Hα-helixtrans-66.2-38.9-179.700000113K8 M11 I12 G74 C75K8-A78 WeakPolarHBondContact CE-O 3.5Å; K8-A78 PolarHBondContact NZ-O 3.25Å; M11-A78 HydrophobicContact CE-CB 4.5Å; M11-A78 HydrophobicContact CG-CB 4.33Å; M11-A78 HydrophobicContact SD-CB 4.1Å; I12-A78 HydrophobicContact CD1-CB 4.14Å; I12-A78 HydrophobicContact CG1-CB 3.54Å; G74-A78 WeakPolarHBondContact O-CB 3.48Å; G74-A78 PolarHBondContact O-N 3.14Å; G74-A78 VanDerWaalsContact O-N 3.13Å; C75-A78 PolarHBondContact O-N 3.1Å
79Q89.9Confident92Very high143 Ų14346 Ų4667%0.66824%0.244SC*.Hα-helixtrans-73.4-48.8-179-172.218022.300112.3C75 Y76 G77 E81C75-Q79 VanDerWaalsContact O-CB 3.31Å; C75-Q79 WeakPolarHBondContact O-CB 3.28Å; C75-Q79 PolarHBondContact O-N 2.84Å; Y76-Q79 PolarHBondContact O-N 2.76Å; G77-Q79 PolarHBondContact O-N 2.85Å; Q79-E81 PolarHBondContact O-N 2.95Å
80T88.5Confident92Very high63 Ų6346.1 Ų46.139%0.38724%0.236SC..Hα-helixtrans-81.3-4.2-176.362.70000113.7Y76 S82Y76-T80 HydrophobicContact CD2-CG2 3.73Å; Y76-T80 HydrophobicContact CE2-CG2 3.47Å; Y76-T80 VanDerWaalsContact CE2-CG2 3.47Å; Y76-T80 HydrophobicContact CG-CG2 4.37Å; Y76-T80 WeakPolarHBondContact O-CB 3.43Å; Y76-T80 WeakPolarHBondContact O-CG2 3.46Å; Y76-T80 PolarHBondContact O-N 3.43Å; Y76-T80 PolarHBondContact O-OG1 2.93Å; T80-S82 PolarHBondContact O-N 3.05Å; T80-S82 VanDerWaalsContact O-N 3.1Å; T80-S82 WeakPolarHBondContact OG1-CB 3.34Å
81E88.8Confident92.1Very high95 Ų9550.3 Ų50.344%0.44425%0.254SS..THydrogen-bonded Turntrans58.226.2-179.4-65.4-163.7172.300112K8 G77 Q79 K83 L239K8-E81 IonicContact NZ-OE1 2.67Å; K8-E81 PolarHBondContact NZ-OE1 3.47Å; G77-E81 PolarHBondContact O-N 3.41Å; G77-E81 VanDerWaalsContact O-N 3.08Å; Q79-E81 PolarHBondContact O-N 2.95Å; E81-K83 PolarHBondContact O-N 3.42Å; E81-L239 HydrophobicContact CB-CD1 4.47Å; E81-L239 HydrophobicContact CB-CD2 3.42Å; E81-L239 VanDerWaalsContact CB-CD2 3.42Å; E81-L239 HydrophobicContact CG-CD2 3.53Å
82S91Very high92.1Very high35 Ų3553 Ų5325%0.24527%0.267CS..  trans-82.2103.6-176.3176.30000111G77 T80 C84 A85 L86G77-S82 PolarHBondContact O-N 3.01Å; T80-S82 PolarHBondContact O-N 3.05Å; T80-S82 VanDerWaalsContact O-N 3.1Å; T80-S82 WeakPolarHBondContact OG1-CB 3.34Å; S82-C84 PolarHBondContact O-N 2.91Å; S82-C84 VanDerWaalsContact O-N 3.14Å; S82-A85 PolarHBondContact O-N 2.92Å; S82-A85 PolarHBondContact OG-N 3.26Å; S82-L86 WeakPolarHBondContact O-CD1 3.48Å; S82-L86 PolarHBondContact O-N 2.98Å
83K90.8Very high92.2Very high77 Ų7748.5 Ų48.534%0.33525%0.249SC..Hα-helixtrans-48.7-39.8174.1-76.4177.5177.71670112.9E81 M87 Y236 L239 Q240E81-K83 PolarHBondContact O-N 3.42Å; K83-M87 WeakPolarHBondContact O-CG 3.2Å; K83-M87 PolarHBondContact O-N 3.47Å; K83-Y236 HydrophobicContact CB-CD2 3.84Å; K83-Y236 HydrophobicContact CB-CE2 3.68Å; K83-Y236 HydrophobicContact CD-CE2 4.36Å; K83-Y236 HydrophobicContact CG-CD2 3.93Å; K83-Y236 HydrophobicContact CG-CE2 3.98Å; K83-L239 WeakPolarHBondContact CE-O 2.75Å; K83-L239 HydrophobicContact CG-CB 4.27Å; K83-L239 HydrophobicContact CG-CD1 4.36Å; K83-L239 PolarHBondContact NZ-O 3.03Å; K83-Q240 PolarHBondContact NZ-OXT 3.03Å
84C92.6Very high92.4Very high93 Ų9349.3 Ų49.363%0.62825%0.253SS*.Hα-helixtrans-66.1-42.6178.6-174.10000112.4S82 M87 T88S82-C84 PolarHBondContact O-N 2.91Å; S82-C84 VanDerWaalsContact O-N 3.14Å; C84-M87 PolarHBondContact O-N 2.92Å; C84-T88 WeakPolarHBondContact O-CB 3.42Å; C84-T88 PolarHBondContact O-N 3.35Å; C84-T88 PolarHBondContact O-OG1 3.35Å
85A92.2Very high92.6Very high9 Ų955 Ų557%0.07428%0.282CS..Hα-helixtrans-67.6-41.6178.900000111.9Y76 S82 T88 F89Y76-A85 HydrophobicContact CD1-CB 3.81Å; Y76-A85 HydrophobicContact CE1-CB 4.06Å; S82-A85 PolarHBondContact O-N 2.92Å; S82-A85 PolarHBondContact OG-N 3.26Å; A85-T88 PolarHBondContact O-N 2.96Å; A85-F89 WeakPolarHBondContact O-CB 3.3Å; A85-F89 PolarHBondContact O-N 2.97Å
86L92.2Very high92.8Very high1 Ų156.1 Ų56.11%0.00529%0.286CS..Hα-helixtrans-62.2-42.7174.5-82.797.7000112.4G77 S82 F89 F90 S232 L235 L239G77-L86 VanDerWaalsContact C-CD1 3.4Å; G77-L86 WeakPolarHBondContact O-CD1 3.47Å; S82-L86 WeakPolarHBondContact O-CD1 3.48Å; S82-L86 PolarHBondContact O-N 2.98Å; L86-F89 PolarHBondContact O-N 3.31Å; L86-F90 WeakPolarHBondContact O-CB 3.41Å; L86-F90 PolarHBondContact O-N 2.93Å; L86-S232 VanDerWaalsContact CD2-O 3.31Å; L86-S232 WeakPolarHBondContact CD2-O 3.03Å; L86-S232 PolarHBondContact O-OG 3.44Å; L86-L235 HydrophobicContact CD2-CB 3.38Å; L86-L235 HydrophobicContact CD2-CD1 4.15Å; L86-L235 HydrophobicContact CD2-CG 4.42Å; L86-L239 HydrophobicContact CD1-CD1 3.84Å; L86-L239 HydrophobicContact CD2-CD1 4.42Å
87M93.6Very high93Very high46 Ų4653.6 Ų53.623%0.22728%0.278CS..Hα-helixtrans-65.3-40.9176.4-74.5-61-60.100111.9K83 C84 F90 F91 Y236K83-M87 WeakPolarHBondContact O-CG 3.2Å; K83-M87 PolarHBondContact O-N 3.47Å; C84-M87 PolarHBondContact O-N 2.92Å; M87-F90 PolarHBondContact O-N 3.08Å; M87-F91 HydrophobicContact CE-CD2 4.21Å; M87-F91 HydrophobicContact CE-CE2 3.4Å; M87-F91 VanDerWaalsContact CE-CE2 3.4Å; M87-F91 HydrophobicContact CE-CZ 3.78Å; M87-F91 WeakPolarHBondContact O-CD2 3.34Å; M87-F91 PolarHBondContact O-N 2.81Å; M87-Y236 HydrophobicContact CG-CD2 3.54Å; M87-Y236 HydrophobicContact CG-CE2 3.39Å; M87-Y236 HydrophobicContact CG-CG 4.38Å; M87-Y236 HydrophobicContact SD-CD1 4.41Å; M87-Y236 HydrophobicContact SD-CD2 3.85Å; M87-Y236 HydrophobicContact SD-CE1 4.48Å; M87-Y236 HydrophobicContact SD-CE2 3.89Å; M87-Y236 HydrophobicContact SD-CG 4.12Å
88T94.6Very high93.4Very high59 Ų5958.2 Ų58.236%0.36230%0.301SS..Hα-helixtrans-60.8-47.5175.3-57.70000110.9C84 A85 F90 F91 I92C84-T88 WeakPolarHBondContact O-CB 3.42Å; C84-T88 PolarHBondContact O-N 3.35Å; C84-T88 PolarHBondContact O-OG1 3.35Å; A85-T88 PolarHBondContact O-N 2.96Å; T88-F90 VanDerWaalsContact C-N 3.34Å; T88-F90 PolarHBondContact O-N 3.36Å; T88-F91 PolarHBondContact O-N 3.48Å; T88-I92 HydrophobicContact CG2-CD1 3.9Å; T88-I92 VanDerWaalsContact O-CG1 3.3Å; T88-I92 WeakPolarHBondContact O-CG1 3.47Å; T88-I92 PolarHBondContact O-N 2.98Å
89F94.1Very high93.6Very high5 Ų560.8 Ų60.82%0.02232%0.323CS..Hα-helixtrans-57.3-46.3175.2174.9-102.9000111.9M11 N15 L70 L73 A85 L86 I92 L93 A228M11-F89 HydrophobicContact CE-CD1 3.98Å; M11-F89 HydrophobicContact CE-CE1 3.84Å; N15-F89 WeakPolarHBondContact OD1-CE2 3.45Å; N15-F89 WeakPolarHBondContact OD1-CZ 3.35Å; L70-F89 HydrophobicContact CD2-CD2 4.45Å; L73-F89 HydrophobicContact CB-CD2 4.5Å; A85-F89 WeakPolarHBondContact O-CB 3.3Å; A85-F89 PolarHBondContact O-N 2.97Å; L86-F89 PolarHBondContact O-N 3.31Å; F89-I92 PolarHBondContact O-N 2.87Å; F89-L93 HydrophobicContact CD1-CD1 4.16Å; F89-L93 HydrophobicContact CE1-CD1 3.48Å; F89-L93 VanDerWaalsContact CE1-CD1 3.48Å; F89-L93 HydrophobicContact CE1-CG 4.35Å; F89-L93 HydrophobicContact CE2-CD1 4.07Å; F89-L93 HydrophobicContact CE2-CG 4.29Å; F89-L93 HydrophobicContact CZ-CD1 3.44Å; F89-L93 VanDerWaalsContact CZ-CD1 3.44Å; F89-L93 HydrophobicContact CZ-CG 4.15Å; F89-L93 PolarHBondContact O-N 3.23Å; F89-A228 HydrophobicContact CE1-CB 4.38Å; F89-A228 HydrophobicContact CZ-CB 4.42Å
90F95.5Very high93.8Very high46 Ų4657.5 Ų57.520%0.20231%0.308CS..Hα-helixtrans-58.8-48.6176.6174.3-88.1000112.3L86 M87 T88 I92 L93 L94 M229L86-F90 WeakPolarHBondContact O-CB 3.41Å; L86-F90 PolarHBondContact O-N 2.93Å; M87-F90 PolarHBondContact O-N 3.08Å; T88-F90 VanDerWaalsContact C-N 3.34Å; T88-F90 PolarHBondContact O-N 3.36Å; F90-I92 PolarHBondContact O-N 3.44Å; F90-L93 PolarHBondContact O-N 3.21Å; F90-L94 HydrophobicContact CE1-CD2 4.2Å; F90-L94 WeakPolarHBondContact O-CB 3.36Å; F90-L94 PolarHBondContact O-N 3.42Å; F90-M229 HydrophobicContact CD2-CB 3.8Å; F90-M229 HydrophobicContact CD2-CG 3.93Å; F90-M229 HydrophobicContact CE2-CB 3.75Å; F90-M229 HydrophobicContact CE2-CG 4.08Å; F90-M229 HydrophobicContact CE2-SD 4.24Å
91F96.3Very high94Very high108 Ų10858 Ų5847%0.47431%0.31SS..Hα-helixtrans-65.2-38-178.8-80-61.4000112.6M87 T88 L94 L95M87-F91 HydrophobicContact CE-CD2 4.21Å; M87-F91 HydrophobicContact CE-CE2 3.4Å; M87-F91 VanDerWaalsContact CE-CE2 3.4Å; M87-F91 HydrophobicContact CE-CZ 3.78Å; M87-F91 WeakPolarHBondContact O-CD2 3.34Å; M87-F91 PolarHBondContact O-N 2.81Å; T88-F91 PolarHBondContact O-N 3.48Å; F91-L94 PolarHBondContact O-N 3.42Å; F91-L95 WeakPolarHBondContact O-CG 3.42Å; F91-L95 PolarHBondContact O-N 2.91Å
92I95.6Very high94.2Very high56 Ų5655.9 Ų55.929%0.28731%0.309SS..Hα-helixtrans-65.4-45.6176.8-61165.7000110L70 L73 T88 F89 F90 L94 L95 I96L70-I92 HydrophobicContact CD2-CB 4.03Å; L70-I92 HydrophobicContact CD2-CG2 3.53Å; L70-I92 HydrophobicContact CG-CG2 4.49Å; L73-I92 HydrophobicContact CD1-CD1 3.82Å; T88-I92 HydrophobicContact CG2-CD1 3.9Å; T88-I92 VanDerWaalsContact O-CG1 3.3Å; T88-I92 WeakPolarHBondContact O-CG1 3.47Å; T88-I92 PolarHBondContact O-N 2.98Å; F89-I92 PolarHBondContact O-N 2.87Å; F90-I92 PolarHBondContact O-N 3.44Å; I92-L94 VanDerWaalsContact C-N 3.31Å; I92-L94 PolarHBondContact O-N 3.29Å; I92-L95 PolarHBondContact O-N 3.39Å; I92-I96 HydrophobicContact CG2-CD1 4Å; I92-I96 WeakPolarHBondContact O-CG1 3.14Å; I92-I96 PolarHBondContact O-N 3.04Å
93L95.3Very high94.1Very high13 Ų1357 Ų577%0.06832%0.321CS..Hα-helixtrans-61-39.5175.5-72-172.8000112.4L70 F89 F90 L95 I96 F97 A228 M229L70-L93 HydrophobicContact CD2-CD2 4.43Å; F89-L93 HydrophobicContact CD1-CD1 4.16Å; F89-L93 HydrophobicContact CE1-CD1 3.48Å; F89-L93 VanDerWaalsContact CE1-CD1 3.48Å; F89-L93 HydrophobicContact CE1-CG 4.35Å; F89-L93 HydrophobicContact CE2-CD1 4.07Å; F89-L93 HydrophobicContact CE2-CG 4.29Å; F89-L93 HydrophobicContact CZ-CD1 3.44Å; F89-L93 VanDerWaalsContact CZ-CD1 3.44Å; F89-L93 HydrophobicContact CZ-CG 4.15Å; F89-L93 PolarHBondContact O-N 3.23Å; F90-L93 PolarHBondContact O-N 3.21Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-I96 PolarHBondContact O-N 3.41Å; L93-F97 WeakPolarHBondContact O-CB 3.31Å; L93-F97 PolarHBondContact O-N 3.46Å; L93-A228 HydrophobicContact CD1-CB 3.65Å; L93-M229 HydrophobicContact CB-CG 3.77Å; L93-M229 HydrophobicContact CB-SD 4.21Å; L93-M229 HydrophobicContact CD1-CG 4.15Å
94L96.7Very high94Very high58 Ų5855.8 Ų55.830%0.30433%0.325SS..Hα-helixtrans-61.8-42.2176.2178.963000111.9F90 F91 I92 F97 I98 M229F90-L94 HydrophobicContact CE1-CD2 4.2Å; F90-L94 WeakPolarHBondContact O-CB 3.36Å; F90-L94 PolarHBondContact O-N 3.42Å; F91-L94 PolarHBondContact O-N 3.42Å; I92-L94 VanDerWaalsContact C-N 3.31Å; I92-L94 PolarHBondContact O-N 3.29Å; L94-F97 PolarHBondContact O-N 2.84Å; L94-I98 HydrophobicContact CD1-CD1 4.16Å; L94-I98 HydrophobicContact CD1-CG1 4.44Å; L94-I98 HydrophobicContact CG-CD1 4.06Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.42Å; L94-I98 PolarHBondContact O-N 3.07Å; L94-M229 HydrophobicContact CB-SD 3.94Å; L94-M229 HydrophobicContact CD1-SD 4.28Å
95L96.4Very high93.8Very high119 Ų11955 Ų5562%0.62332%0.317SS*.Hα-helixtrans-65.3-40176.9-71.4174.3000111.9F91 I92 L93 I98 A99F91-L95 WeakPolarHBondContact O-CG 3.42Å; F91-L95 PolarHBondContact O-N 2.91Å; I92-L95 PolarHBondContact O-N 3.39Å; L93-L95 VanDerWaalsContact C-N 3.34Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-I98 PolarHBondContact O-N 3.46Å; L95-A99 WeakPolarHBondContact O-CB 3.44Å; L95-A99 PolarHBondContact O-N 3.21Å
96I95.1Very high93.5Very high44 Ų4458.3 Ų58.323%0.22634%0.336CS..Hα-helixtrans-62.9-50.2175.2-66.7168.2000109.7L70 I92 L93 I98 A99 E100 E225L70-I96 HydrophobicContact CD1-CD1 3.67Å; I92-I96 HydrophobicContact CG2-CD1 4Å; I92-I96 WeakPolarHBondContact O-CG1 3.14Å; I92-I96 PolarHBondContact O-N 3.04Å; L93-I96 PolarHBondContact O-N 3.41Å; I96-I98 VanDerWaalsContact C-N 3.32Å; I96-I98 PolarHBondContact O-N 2.94Å; I96-A99 CarbonylContact O-C 3.52Å; I96-A99 WeakPolarHBondContact O-CA 3.49Å; I96-A99 WeakPolarHBondContact O-CB 3.49Å; I96-A99 PolarHBondContact O-N 3.1Å; I96-E100 HydrophobicContact CG2-CG 4.19Å; I96-E100 WeakPolarHBondContact O-CG 3.23Å; I96-E100 PolarHBondContact O-N 2.88Å; I96-E225 WeakPolarHBondContact CG2-OE1 3.23Å
97F96.1Very high93.1Very high53 Ų5361 Ų6123%0.23236%0.359CS..Hα-helixtrans-56.3-43.8178.4-176-101000112.6L93 L94 A99 E100 V101 E225 L226 M229L93-F97 WeakPolarHBondContact O-CB 3.31Å; L93-F97 PolarHBondContact O-N 3.46Å; L94-F97 PolarHBondContact O-N 2.84Å; F97-A99 VanDerWaalsContact C-N 3.35Å; F97-A99 PolarHBondContact O-N 2.8Å; F97-E100 PolarHBondContact O-N 3.49Å; F97-V101 HydrophobicContact CD1-CG2 4.46Å; F97-V101 HydrophobicContact CE1-CG2 4.1Å; F97-V101 HydrophobicContact CZ-CG2 4.16Å; F97-V101 WeakPolarHBondContact O-CG2 3.5Å; F97-V101 PolarHBondContact O-N 2.64Å; F97-E225 WeakPolarHBondContact CA-OE2 3.47Å; F97-E225 WeakPolarHBondContact CB-OE2 3.22Å; F97-L226 HydrophobicContact CE1-CD2 4.41Å; F97-L226 HydrophobicContact CE2-CD1 4.11Å; F97-L226 HydrophobicContact CE2-CD2 4.27Å; F97-L226 HydrophobicContact CE2-CG 3.98Å; F97-L226 HydrophobicContact CZ-CD1 4.14Å; F97-L226 HydrophobicContact CZ-CD2 4.12Å; F97-L226 HydrophobicContact CZ-CG 4.22Å; F97-M229 HydrophobicContact CB-CE 4.09Å; F97-M229 HydrophobicContact CG-CE 4.18Å
98I96.8Very high92.5Very high96 Ų9665.6 Ų65.649%0.49238%0.383SS..Hα-helixtrans-62.9-42.8175.3-68.7166.7000110.9L94 L95 I96 V101 A102L94-I98 HydrophobicContact CD1-CD1 4.16Å; L94-I98 HydrophobicContact CD1-CG1 4.44Å; L94-I98 HydrophobicContact CG-CD1 4.06Å; L94-I98 VanDerWaalsContact O-CG1 3.27Å; L94-I98 WeakPolarHBondContact O-CG1 3.42Å; L94-I98 PolarHBondContact O-N 3.07Å; L95-I98 PolarHBondContact O-N 3.46Å; I96-I98 VanDerWaalsContact C-N 3.32Å; I96-I98 PolarHBondContact O-N 2.94Å; I98-V101 PolarHBondContact O-N 2.91Å; I98-A102 WeakPolarHBondContact O-CB 3.29Å; I98-A102 PolarHBondContact O-N 2.95Å
99A94.5Very high92.2Very high58 Ų5867.3 Ų67.348%0.47939%0.393SS..Hα-helixtrans-65-39.7177.600000112.1L95 I96 F97 A102 A103L95-A99 WeakPolarHBondContact O-CB 3.44Å; L95-A99 PolarHBondContact O-N 3.21Å; I96-A99 CarbonylContact O-C 3.52Å; I96-A99 WeakPolarHBondContact O-CA 3.49Å; I96-A99 WeakPolarHBondContact O-CB 3.49Å; I96-A99 PolarHBondContact O-N 3.1Å; F97-A99 VanDerWaalsContact C-N 3.35Å; F97-A99 PolarHBondContact O-N 2.8Å; A99-A102 PolarHBondContact O-N 2.89Å; A99-A103 VanDerWaalsContact O-CB 3.26Å; A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 2.93Å
100E92.4Very high91.8Very high74 Ų7473.1 Ų73.135%0.34642%0.416SS..Hα-helixtrans-62.5-46.8175.3-71.1-166.8158.800111.5I96 F97 A102 A103 A104I96-E100 HydrophobicContact CG2-CG 4.19Å; I96-E100 WeakPolarHBondContact O-CG 3.23Å; I96-E100 PolarHBondContact O-N 2.88Å; F97-E100 PolarHBondContact O-N 3.49Å; E100-A102 PolarHBondContact O-N 3.46Å; E100-A103 PolarHBondContact O-N 3.31Å; E100-A104 WeakPolarHBondContact O-CB 3.3Å; E100-A104 PolarHBondContact O-N 3.47Å
101V93.4Very high91.2Very high73 Ų7372.4 Ų72.444%0.44242%0.416SS..Hα-helixtrans-62.2-44.1176.2173.10000110.8F97 I98 A104 V105F97-V101 HydrophobicContact CD1-CG2 4.46Å; F97-V101 HydrophobicContact CE1-CG2 4.1Å; F97-V101 HydrophobicContact CZ-CG2 4.16Å; F97-V101 WeakPolarHBondContact O-CG2 3.5Å; F97-V101 PolarHBondContact O-N 2.64Å; I98-V101 PolarHBondContact O-N 2.91Å; V101-A104 PolarHBondContact O-N 3.49Å; V101-V105 WeakPolarHBondContact O-CG2 3.38Å; V101-V105 PolarHBondContact O-N 3.26Å
102A92.6Very high90.7Very high51 Ų5171.3 Ų71.342%0.42142%0.418SS..Hα-helixtrans-62.5-45.317700000111.8I98 A99 E100 A104 V105 V106I98-A102 WeakPolarHBondContact O-CB 3.29Å; I98-A102 PolarHBondContact O-N 2.95Å; A99-A102 PolarHBondContact O-N 2.89Å; E100-A102 PolarHBondContact O-N 3.46Å; A102-A104 PolarHBondContact O-N 3.49Å; A102-V105 PolarHBondContact O-N 3.19Å; A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 3.03Å
103A89.1Confident90.2Very high59 Ų5973.5 Ų73.549%0.48843%0.428SS..Hα-helixtrans-61.9-42.5176.900000111.6A99 E100 V106 A107A99-A103 VanDerWaalsContact O-CB 3.26Å; A99-A103 WeakPolarHBondContact O-CB 3.44Å; A99-A103 PolarHBondContact O-N 2.93Å; E100-A103 PolarHBondContact O-N 3.31Å; A103-V106 PolarHBondContact O-N 3.4Å; A103-A107 VanDerWaalsContact O-CB 3.3Å; A103-A107 WeakPolarHBondContact O-CB 3.26Å; A103-A107 PolarHBondContact O-N 3.22Å
104A88.2Confident89.7Confident50 Ų5074.5 Ų74.541%0.41344%0.438SS..Hα-helixtrans-61.6-44.2176.100000111.9E100 V101 A102 A107 L108E100-A104 WeakPolarHBondContact O-CB 3.3Å; E100-A104 PolarHBondContact O-N 3.47Å; V101-A104 PolarHBondContact O-N 3.49Å; A102-A104 PolarHBondContact O-N 3.49Å; A104-A107 PolarHBondContact O-N 3.19Å; A104-L108 WeakPolarHBondContact O-CB 3.49Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.37Å; A104-L108 PolarHBondContact O-N 3.04Å
105V89.3Confident89.2Confident76 Ų7673.9 Ų73.946%0.46143%0.434SS..Hα-helixtrans-62.1-44.9175.5172.10000110.9V101 A102 L108 V109V101-V105 WeakPolarHBondContact O-CG2 3.38Å; V101-V105 PolarHBondContact O-N 3.26Å; A102-V105 PolarHBondContact O-N 3.19Å; V105-L108 PolarHBondContact O-N 3.43Å; V105-V109 HydrophobicContact CG1-CG2 4.19Å; V105-V109 WeakPolarHBondContact O-CB 3.36Å; V105-V109 WeakPolarHBondContact O-CG2 3.27Å; V105-V109 PolarHBondContact O-N 2.84Å
106V86.9Confident88.8Confident79 Ų7973.5 Ų73.548%0.47943%0.428SS..Hα-helixtrans-62.1-46.1178.2171.60000111.2A102 A103 L108 Y110A102-V106 WeakPolarHBondContact O-CG2 3.44Å; A102-V106 PolarHBondContact O-N 3.03Å; A103-V106 PolarHBondContact O-N 3.4Å; V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 PolarHBondContact O-N 3.34Å; V106-Y110 WeakPolarHBondContact O-CA 3.5Å; V106-Y110 WeakPolarHBondContact O-CB 3.32Å; V106-Y110 PolarHBondContact O-N 2.82Å
107A82.3Confident88.4Confident59 Ų5978.3 Ų78.349%0.48845%0.448SS..Hα-helixtrans-63.5-36179.800000112.7A103 A104 T111A103-A107 VanDerWaalsContact O-CB 3.3Å; A103-A107 WeakPolarHBondContact O-CB 3.26Å; A103-A107 PolarHBondContact O-N 3.22Å; A104-A107 PolarHBondContact O-N 3.19Å; A107-T111 WeakPolarHBondContact O-CG2 3.3Å
108L81.8Confident88Confident142 Ų14279.1 Ų79.174%0.74345%0.454SS*.Hα-helixtrans-82.2-38.6-179.1-69.7174.8000113.4A104 V105 V106A104-L108 WeakPolarHBondContact O-CB 3.49Å; A104-L108 VanDerWaalsContact O-CG 3.28Å; A104-L108 WeakPolarHBondContact O-CG 3.37Å; A104-L108 PolarHBondContact O-N 3.04Å; V105-L108 PolarHBondContact O-N 3.43Å; V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 PolarHBondContact O-N 3.34Å
109V87.2Confident87.6Confident94 Ų9476.3 Ų76.357%0.5744%0.442SS*.Hα-helixtrans-91.1-37.3-172.6179.10000112.1V105V105-V109 HydrophobicContact CG1-CG2 4.19Å; V105-V109 WeakPolarHBondContact O-CB 3.36Å; V105-V109 WeakPolarHBondContact O-CG2 3.27Å; V105-V109 PolarHBondContact O-N 2.84Å
110Y86.9Confident87.3Confident127 Ų12778.9 Ų78.950%0.49845%0.447SS..  trans-112.441-170.4-60.7-82.1000112.5V106 T112 M113 A114V106-Y110 WeakPolarHBondContact O-CA 3.5Å; V106-Y110 WeakPolarHBondContact O-CB 3.32Å; V106-Y110 PolarHBondContact O-N 2.82Å; Y110-T112 VanDerWaalsContact C-N 3.26Å; Y110-T112 PolarHBondContact O-N 3.46Å; Y110-M113 HydrophobicContact CD1-CG 4.3Å; Y110-M113 PolarHBondContact O-N 3.23Å; Y110-M113 VanDerWaalsContact O-N 3.1Å; Y110-A114 PolarHBondContact O-N 2.78Å
111T83.2Confident87Confident32 Ų3281.3 Ų81.320%0.19646%0.461CS..Hα-helixtrans-55.1-39.9-178.5570000112.7A107 A114 E115A107-T111 WeakPolarHBondContact O-CG2 3.3Å; T111-A114 PolarHBondContact O-N 3.29Å; T111-E115 WeakPolarHBondContact O-CB 3.42Å; T111-E115 PolarHBondContact O-N 3.46Å
112T84.9Confident86.8Confident85 Ų8579.4 Ų79.452%0.52145%0.45SS..Hα-helixtrans-69.2-35.3-18054.30000112.6Y110 H116Y110-T112 VanDerWaalsContact C-N 3.26Å; Y110-T112 PolarHBondContact O-N 3.46Å; T112-H116 PolarHBondContact O-N 2.88Å; T112-H116 VanDerWaalsContact O-N 3.07Å
113M86.2Confident86.7Confident102 Ų10278 Ų7850%0.50244%0.436SS..Hα-helixtrans-71.1-43.3175.1-58.2-62.5133.400110.3Y110 E115 H116 F117Y110-M113 HydrophobicContact CD1-CG 4.3Å; Y110-M113 PolarHBondContact O-N 3.23Å; Y110-M113 VanDerWaalsContact O-N 3.1Å; M113-E115 VanDerWaalsContact C-N 3.33Å; M113-E115 PolarHBondContact O-N 3.43Å; M113-H116 PolarHBondContact O-N 2.95Å; M113-F117 VanDerWaalsContact O-CD2 3.22Å; M113-F117 WeakPolarHBondContact O-CD2 3.45Å; M113-F117 PolarHBondContact O-N 2.97Å
114A82.9Confident86.7Confident33 Ų3378.6 Ų78.627%0.27344%0.435SS..Hα-helixtrans-58.5-45.2174.800000111.4Y110 T111 H116 F117 L118Y110-A114 PolarHBondContact O-N 2.78Å; T111-A114 PolarHBondContact O-N 3.29Å; A114-H116 PolarHBondContact O-N 3.4Å; A114-F117 PolarHBondContact O-N 3Å; A114-L118 WeakPolarHBondContact O-CB 3.1Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.47Å; A114-L118 PolarHBondContact O-N 2.82Å
115E86.8Confident86.7Confident45 Ų4577.5 Ų77.521%0.2143%0.426CS..Hα-helixtrans-56.2-48.5173.9-173.4169.4-172.900111.6T111 M113 F117 L118 T119 F200 Q201T111-E115 WeakPolarHBondContact O-CB 3.42Å; T111-E115 PolarHBondContact O-N 3.46Å; M113-E115 VanDerWaalsContact C-N 3.33Å; M113-E115 PolarHBondContact O-N 3.43Å; E115-F117 PolarHBondContact O-N 3.4Å; E115-L118 PolarHBondContact O-N 3.44Å; E115-T119 WeakPolarHBondContact O-CB 3.33Å; E115-T119 PolarHBondContact O-N 3.29Å; E115-T119 PolarHBondContact O-OG1 3.47Å; E115-F200 HydrophobicContact CB-CD1 4Å; E115-F200 HydrophobicContact CB-CE1 3.39Å; E115-F200 HydrophobicContact CB-CZ 3.93Å; E115-F200 HydrophobicContact CG-CD1 3.56Å; E115-F200 HydrophobicContact CG-CE1 3.51Å; E115-F200 HydrophobicContact CG-CG 4.47Å; E115-F200 HydrophobicContact CG-CZ 4.39Å; E115-Q201 PolarHBondContact OE1-NE2 2.73Å; E115-Q201 PolarHBondContact OE2-NE2 3.47Å
116H89.3Confident86.7Confident111 Ų11173.9 Ų73.951%0.51440%0.404SS..Hα-helixtrans-62-47.5-179.8-172.3-13000111.9T112 M113 A114 L118 T119 L120T112-H116 PolarHBondContact O-N 2.88Å; T112-H116 VanDerWaalsContact O-N 3.07Å; M113-H116 PolarHBondContact O-N 2.95Å; A114-H116 PolarHBondContact O-N 3.4Å; H116-L118 VanDerWaalsContact C-N 3.34Å; H116-L118 PolarHBondContact O-N 3.45Å; H116-T119 PolarHBondContact O-N 3.45Å; H116-L120 WeakPolarHBondContact O-CG 3.05Å; H116-L120 PolarHBondContact O-N 2.96Å; H116-L120 VanDerWaalsContact O-N 3.11Å
117F86.4Confident87Confident145 Ų14573.5 Ų73.564%0.63640%0.396SS*.Hα-helixtrans-60.7-44.2178.2-85.4-70.5000111.7M113 A114 E115 L120 L121M113-F117 VanDerWaalsContact O-CD2 3.22Å; M113-F117 WeakPolarHBondContact O-CD2 3.45Å; M113-F117 PolarHBondContact O-N 2.97Å; A114-F117 PolarHBondContact O-N 3Å; E115-F117 PolarHBondContact O-N 3.4Å; F117-L120 PolarHBondContact O-N 3.48Å; F117-L121 WeakPolarHBondContact O-CG 3.38Å; F117-L121 PolarHBondContact O-N 2.93Å
118L86.6Confident87.3Confident70 Ų7077.8 Ų77.837%0.36640%0.404SS..Hα-helixtrans-67.2-38.8177.8-70.2172.7000111.8A114 E115 H116 L120 L121 V122 F152 F200A114-L118 WeakPolarHBondContact O-CB 3.1Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.47Å; A114-L118 PolarHBondContact O-N 2.82Å; E115-L118 PolarHBondContact O-N 3.44Å; H116-L118 VanDerWaalsContact C-N 3.34Å; H116-L118 PolarHBondContact O-N 3.45Å; L118-L120 VanDerWaalsContact C-N 3.29Å; L118-L120 PolarHBondContact O-N 3.37Å; L118-L121 PolarHBondContact O-N 2.66Å; L118-V122 VanDerWaalsContact O-CB 3.3Å; L118-V122 WeakPolarHBondContact O-CB 3.37Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.5Å; L118-V122 PolarHBondContact O-N 2.8Å; L118-F152 HydrophobicContact CB-CE1 4.34Å; L118-F152 HydrophobicContact CB-CE2 4.09Å; L118-F152 HydrophobicContact CB-CZ 3.52Å; L118-F200 HydrophobicContact CD1-CD2 4.23Å; L118-F200 HydrophobicContact CD1-CE2 3.63Å; L118-F200 HydrophobicContact CD1-CZ 4.42Å
119T89.1Confident87.5Confident37 Ų3771.9 Ų71.923%0.22737%0.373CS..Hα-helixtrans-56.8-44.9175.6-55.40000110.8E115 H116 L121 V123 F152 T153E115-T119 WeakPolarHBondContact O-CB 3.33Å; E115-T119 PolarHBondContact O-N 3.29Å; E115-T119 PolarHBondContact O-OG1 3.47Å; H116-T119 PolarHBondContact O-N 3.45Å; T119-L121 PolarHBondContact O-N 3.36Å; T119-V123 HydrophobicContact CG2-CG2 3.69Å; T119-V123 WeakPolarHBondContact O-CB 3.43Å; T119-V123 WeakPolarHBondContact O-CG2 3.28Å; T119-V123 PolarHBondContact O-N 2.93Å; T119-V123 VanDerWaalsContact O-N 3.1Å; T119-F152 HydrophobicContact CG2-CD1 4.49Å; T119-F152 VanDerWaalsContact OG1-CE1 3.25Å; T119-F152 WeakPolarHBondContact OG1-CE1 3.46Å; T119-T153 HydrophobicContact CG2-CG2 4.13Å
120L88.4Confident87.5Confident112 Ų11267.5 Ų67.559%0.58635%0.346SS*.Hα-helixtrans-65-22.6178.5-71.7175000113.7H116 F117 L118 P124H116-L120 WeakPolarHBondContact O-CG 3.05Å; H116-L120 PolarHBondContact O-N 2.96Å; H116-L120 VanDerWaalsContact O-N 3.11Å; F117-L120 PolarHBondContact O-N 3.48Å; L118-L120 VanDerWaalsContact C-N 3.29Å; L118-L120 PolarHBondContact O-N 3.37Å; L120-P124 WeakPolarHBondContact O-CD 3.15Å; L120-P124 WeakPolarHBondContact O-CG 3.09Å
121L84.9Confident87.4Confident125 Ų12562.5 Ų62.565%0.65433%0.334SS*.Hα-helixtrans-94.3-43.3178.7-67.1173.4000112F117 L118 T119F117-L121 WeakPolarHBondContact O-CG 3.38Å; F117-L121 PolarHBondContact O-N 2.93Å; L118-L121 PolarHBondContact O-N 2.66Å; T119-L121 PolarHBondContact O-N 3.36Å
122V89.3Confident87.6Confident34 Ų3464.8 Ų64.821%0.20635%0.35CS..Hα-helixtrans-85.9-44.8-167.6176.90000112L118 A125 I126 W140 F152L118-V122 VanDerWaalsContact O-CB 3.3Å; L118-V122 WeakPolarHBondContact O-CB 3.37Å; L118-V122 VanDerWaalsContact O-CG2 3.28Å; L118-V122 WeakPolarHBondContact O-CG2 3.5Å; L118-V122 PolarHBondContact O-N 2.8Å; V122-A125 WeakPolarHBondContact O-CB 3.45Å; V122-A125 PolarHBondContact O-N 3.5Å; V122-A125 VanDerWaalsContact O-N 3.1Å; V122-I126 HydrophobicContact CG1-CD1 3.98Å; V122-I126 HydrophobicContact CG1-CG1 4.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 3.38Å; V122-W140 HydrophobicContact CG1-CH2 3.93Å; V122-W140 HydrophobicContact CG1-CZ2 3.41Å; V122-W140 VanDerWaalsContact CG1-CZ2 3.41Å; V122-F152 HydrophobicContact CB-CD2 3.94Å; V122-F152 HydrophobicContact CB-CE2 4.32Å; V122-F152 HydrophobicContact CB-CG 4.19Å; V122-F152 HydrophobicContact CG1-CB 4Å; V122-F152 HydrophobicContact CG1-CD2 3.62Å; V122-F152 HydrophobicContact CG1-CE2 4.39Å; V122-F152 HydrophobicContact CG1-CG 3.92Å; V122-F152 HydrophobicContact CG2-CD2 4.25Å; V122-F152 HydrophobicContact CG2-CE2 4.21Å
123V91.6Very high87.1Confident20 Ų2062 Ų6212%0.12133%0.332CS..Hα-helixtrans-61.4-43.5-178.2177.60000111.8T119 A125 I126 K127 F152 D157T119-V123 HydrophobicContact CG2-CG2 3.69Å; T119-V123 WeakPolarHBondContact O-CB 3.43Å; T119-V123 WeakPolarHBondContact O-CG2 3.28Å; T119-V123 PolarHBondContact O-N 2.93Å; T119-V123 VanDerWaalsContact O-N 3.1Å; V123-A125 VanDerWaalsContact C-N 3.3Å; V123-A125 PolarHBondContact O-N 2.9Å; V123-I126 PolarHBondContact O-N 3.3Å; V123-K127 PolarHBondContact O-N 3.12Å; V123-F152 HydrophobicContact CG2-CB 4.22Å; V123-F152 HydrophobicContact CG2-CD1 4.28Å; V123-D157 HydrophobicContact CG1-CB 4.26Å; V123-D157 HydrophobicContact CG2-CB 4.47Å; V123-D157 WeakPolarHBondContact CG2-OD1 3.36Å
124P89.4Confident86.5Confident72 Ų7263.6 Ų63.647%0.46834%0.336SS..Hα-helixtrans-62.9-35.2174.4-24.736.9000113.3L120 K127 K128L120-P124 WeakPolarHBondContact O-CD 3.15Å; L120-P124 WeakPolarHBondContact O-CG 3.09Å; P124-K127 PolarHBondContact O-N 3.11Å; P124-K128 VanDerWaalsContact O-CB 3.28Å; P124-K128 WeakPolarHBondContact O-CB 3.25Å; P124-K128 PolarHBondContact O-N 3.47Å
125A87.3Confident85.8Confident27 Ų2762.2 Ų62.222%0.22332%0.324CS..Hα-helixtrans-65-41.7174.600000111.1V122 V123 K128 D129 F136V122-A125 WeakPolarHBondContact O-CB 3.45Å; V122-A125 PolarHBondContact O-N 3.5Å; V122-A125 VanDerWaalsContact O-N 3.1Å; V123-A125 VanDerWaalsContact C-N 3.3Å; V123-A125 PolarHBondContact O-N 2.9Å; A125-K128 PolarHBondContact O-N 2.91Å; A125-D129 VanDerWaalsContact O-CB 3.31Å; A125-D129 WeakPolarHBondContact O-CB 3.47Å; A125-D129 PolarHBondContact O-N 3.49Å; A125-F136 HydrophobicContact CB-CE2 4.24Å; A125-F136 HydrophobicContact CB-CZ 4.06Å
126I90.5Very high85.3Confident0 Ų061.2 Ų61.20%032%0.319CS..Hα-helixtrans-58.9-52.3173.8-65.1170.6000111.3V122 V123 K128 D129 Y130 F136 W140 F152 D157 F158V122-I126 HydrophobicContact CG1-CD1 3.98Å; V122-I126 HydrophobicContact CG1-CG1 4.3Å; V122-I126 WeakPolarHBondContact O-CG1 3.48Å; V122-I126 PolarHBondContact O-N 3.38Å; V123-I126 PolarHBondContact O-N 3.3Å; I126-K128 PolarHBondContact O-N 3.36Å; I126-D129 PolarHBondContact O-N 3.34Å; I126-Y130 WeakPolarHBondContact O-CB 3.32Å; I126-Y130 PolarHBondContact O-N 3.38Å; I126-F136 HydrophobicContact CB-CE1 4.3Å; I126-F136 HydrophobicContact CG1-CE1 3.96Å; I126-F136 HydrophobicContact CG1-CZ 3.93Å; I126-W140 HydrophobicContact CD1-CD2 4.32Å; I126-W140 HydrophobicContact CD1-CE3 4.45Å; I126-W140 HydrophobicContact CD1-CH2 3.73Å; I126-W140 HydrophobicContact CD1-CZ2 3.59Å; I126-W140 HydrophobicContact CD1-CZ3 4.16Å; I126-W140 HydrophobicContact CG1-CD2 4.4Å; I126-W140 HydrophobicContact CG1-CZ2 3.93Å; I126-F152 HydrophobicContact CD1-CB 4.04Å; I126-D157 HydrophobicContact CD1-CB 4.28Å; I126-D157 WeakPolarHBondContact CG2-O 3.38Å; I126-F158 HydrophobicContact CG2-CD1 3.38Å; I126-F158 HydrophobicContact CG2-CE1 3.47Å; I126-F158 VanDerWaalsContact CG2-CE1 3.47Å; I126-F158 HydrophobicContact CG2-CG 4.23Å; I126-F158 HydrophobicContact CG2-CZ 4.38Å
127K92.3Very high84.9Confident72 Ų7256.6 Ų56.631%0.31330%0.299SS..Hα-helixtrans-60.8-32.2-179.7-70.1-165.5173-151.60113.2V123 P124 D157 E159 S161 P162V123-K127 PolarHBondContact O-N 3.12Å; P124-K127 PolarHBondContact O-N 3.11Å; K127-D157 VanDerWaalsContact CG-O 3.24Å; K127-D157 WeakPolarHBondContact CG-O 3.28Å; K127-E159 WeakPolarHBondContact CD-O 3.36Å; K127-E159 VanDerWaalsContact CE-O 3.31Å; K127-E159 WeakPolarHBondContact CE-O 3.2Å; K127-E159 PolarHBondContact NZ-O 2.86Å; K127-S161 WeakPolarHBondContact O-CA 3.49Å; K127-P162 VanDerWaalsContact O-CD 3.26Å; K127-P162 WeakPolarHBondContact O-CD 3.49Å
128K88.8Confident84.7Confident149 Ų14952.3 Ų52.365%0.64828%0.28SS*.Hα-helixtrans-81.9-45.5-179.3-171.6-173.6173.1-1740112.5P124 A125 I126P124-K128 VanDerWaalsContact O-CB 3.28Å; P124-K128 WeakPolarHBondContact O-CB 3.25Å; P124-K128 PolarHBondContact O-N 3.47Å; A125-K128 PolarHBondContact O-N 2.91Å; I126-K128 PolarHBondContact O-N 3.36Å
129D84.8Confident84.4Confident18 Ų1852.3 Ų52.310%0.09628%0.283CS..Hα-helixtrans-110.9-19.2-160.1-60.6-41000113.2Q52 A125 I126 G131 S132 Q133 F136Q52-D129 VanDerWaalsContact NE2-CB 3.31Å; Q52-D129 VanDerWaalsContact NE2-CG 3.26Å; Q52-D129 PolarHBondContact NE2-OD2 3.24Å; A125-D129 VanDerWaalsContact O-CB 3.31Å; A125-D129 WeakPolarHBondContact O-CB 3.47Å; A125-D129 PolarHBondContact O-N 3.49Å; I126-D129 PolarHBondContact O-N 3.34Å; D129-G131 PolarHBondContact O-N 3.23Å; D129-S132 PolarHBondContact O-N 3.32Å; D129-Q133 HydrophobicContact CB-CB 4.26Å; D129-Q133 HydrophobicContact CB-CG 4.05Å; D129-Q133 PolarHBondContact O-N 3.01Å; D129-Q133 PolarHBondContact OD1-NE2 3.09Å; D129-F136 HydrophobicContact CB-CB 4.25Å; D129-F136 HydrophobicContact CB-CD1 3.94Å; D129-F136 HydrophobicContact CB-CD2 4.35Å; D129-F136 HydrophobicContact CB-CE1 4.4Å; D129-F136 HydrophobicContact CB-CG 3.88Å
130Y87.2Confident84.3Confident1 Ų152 Ų520%0.00428%0.278CS..BIsolated β-bridgetrans-72.6121.9179.2-168.1-87.9000112.3I126 S132 F136 T137 W140 N141 M144 F158 P162 Y163 P171I126-Y130 WeakPolarHBondContact O-CB 3.32Å; I126-Y130 PolarHBondContact O-N 3.38Å; Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 2.98Å; Y130-F136 HydrophobicContact CD2-CD1 4.28Å; Y130-F136 HydrophobicContact CD2-CE1 4.43Å; Y130-T137 HydrophobicContact CD2-CG2 4.16Å; Y130-T137 HydrophobicContact CE1-CG2 4.27Å; Y130-T137 HydrophobicContact CE2-CG2 3.76Å; Y130-W140 HydrophobicContact CD2-CB 3.96Å; Y130-W140 HydrophobicContact CD2-CG 4.38Å; Y130-W140 HydrophobicContact CE2-CB 3.77Å; Y130-N141 PolarHBondContact OH-OD1 3.49Å; Y130-M144 HydrophobicContact CE2-CE 4.11Å; Y130-F158 AromaticContact CD1-CD1 3.48Å; Y130-F158 HydrophobicContact CD1-CD1 3.48Å; Y130-F158 VanDerWaalsContact CD1-CD1 3.48Å; Y130-F158 AromaticContact CD1-CE1 3.67Å; Y130-F158 HydrophobicContact CD1-CE1 3.67Å; Y130-F158 HydrophobicContact CD2-CD1 4.19Å; Y130-F158 AromaticContact CD2-CE1 3.53Å; Y130-F158 HydrophobicContact CD2-CE1 3.53Å; Y130-F158 AromaticContact CE1-CD1 3.77Å; Y130-F158 HydrophobicContact CE1-CD1 3.77Å; Y130-F158 AromaticContact CE1-CE1 3.76Å; Y130-F158 HydrophobicContact CE1-CE1 3.76Å; Y130-F158 HydrophobicContact CE2-CD1 4.4Å; Y130-F158 AromaticContact CE2-CE1 3.59Å; Y130-F158 HydrophobicContact CE2-CE1 3.59Å; Y130-F158 HydrophobicContact CE2-CZ 4.25Å; Y130-F158 AromaticContact CG-CD1 3.72Å; Y130-F158 HydrophobicContact CG-CD1 3.72Å; Y130-F158 AromaticContact CG-CE1 3.56Å; Y130-F158 HydrophobicContact CG-CE1 3.56Å; Y130-F158 AromaticContact CZ-CE1 3.7Å; Y130-P162 WeakPolarHBondContact O-CD 3.32Å; Y130-Y163 HydrophobicContact CD1-CG 4.03Å; Y130-Y163 AromaticContact CE1-CD1 3.97Å; Y130-Y163 HydrophobicContact CE1-CD1 3.97Å; Y130-Y163 AromaticContact CE1-CD2 3.98Å; Y130-Y163 HydrophobicContact CE1-CD2 3.98Å; Y130-Y163 AromaticContact CE1-CG 3.59Å; Y130-Y163 HydrophobicContact CE1-CG 3.59Å; Y130-Y163 PolarHBondContact O-N 3.38Å; Y130-P171 HydrophobicContact CE1-CG 3.6Å; Y130-P171 WeakPolarHBondContact OH-CB 3.26Å; Y130-P171 VanDerWaalsContact OH-CG 3.25Å; Y130-P171 WeakPolarHBondContact OH-CG 3.25Å
131G85.9Confident84.2Confident23 Ų2348.8 Ų48.824%0.23726%0.262CS..THydrogen-bonded Turntrans88.6-27.3-171.100000114.7D129 T137D129-G131 PolarHBondContact O-N 3.23Å; G131-T137 PolarHBondContact N-OG1 2.78Å
132S86.2Confident84.1Confident79 Ų7945.8 Ų45.855%0.55225%0.248SC*.THydrogen-bonded Turntrans-89.8-42.9175.8-179.80000112.1D129 Y130D129-S132 PolarHBondContact O-N 3.32Å; Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 2.98Å
133Q75.5Confident84.1Confident28 Ų2846.4 Ų46.413%0.13125%0.252CS..BIsolated β-bridgetrans-99.1110.2175.5-62.3-161.552.600108D129 D135 F136 T137D129-Q133 HydrophobicContact CB-CB 4.26Å; D129-Q133 HydrophobicContact CB-CG 4.05Å; D129-Q133 PolarHBondContact O-N 3.01Å; D129-Q133 PolarHBondContact OD1-NE2 3.09Å; Q133-D135 PolarHBondContact O-N 2.92Å; Q133-F136 HydrophobicContact CB-CB 3.84Å; Q133-F136 WeakPolarHBondContact O-CB 3.47Å; Q133-F136 PolarHBondContact O-N 3.03Å; Q133-T137 WeakPolarHBondContact O-CB 3.39Å; Q133-T137 PolarHBondContact O-N 2.72Å; Q133-T137 PolarHBondContact O-OG1 3.1Å
134K72.9Confident84Confident134 Ų13445.5 Ų45.558%0.58325%0.247SC*.Hα-helixtrans-63.5-30.1-174.9-68.2-179.1179.4-179.20111.1S47 S49 T137 Q138S47-K134 VanDerWaalsContact OG-CA 3.3Å; S47-K134 WeakPolarHBondContact OG-CA 3.42Å; S47-K134 WeakPolarHBondContact OG-CB 3.12Å; S47-K134 PolarHBondContact OG-O 3.3Å; S49-K134 PolarHBondContact OG-N 2.89Å; K134-T137 WeakPolarHBondContact O-CB 3.36Å; K134-T137 PolarHBondContact O-N 2.81Å; K134-Q138 WeakPolarHBondContact O-CB 3.24Å; K134-Q138 PolarHBondContact O-N 3.27Å
135D67.8Low83.8Confident4 Ų445.4 Ų45.42%0.02125%0.245CC..Hα-helixtrans-71.2-49.1-179.7-62-24.9000112.3S47 S48 S49 F53 Q133 T137 Q138 V139S47-D135 WeakPolarHBondContact CA-OD1 3.32Å; S47-D135 WeakPolarHBondContact CB-OD1 3Å; S47-D135 PolarHBondContact OG-N 3.32Å; S47-D135 PolarHBondContact OG-OD1 2.88Å; S48-D135 PolarHBondContact N-OD1 3.28Å; S48-D135 VanDerWaalsContact N-OD1 3.15Å; S49-D135 WeakPolarHBondContact CA-OD2 3.37Å; S49-D135 WeakPolarHBondContact CB-OD2 3.4Å; S49-D135 PolarHBondContact N-OD2 3.2Å; F53-D135 HydrophobicContact CD2-CB 4.28Å; F53-D135 VanDerWaalsContact CD2-OD2 3.26Å; F53-D135 WeakPolarHBondContact CD2-OD2 3.28Å; F53-D135 HydrophobicContact CE2-CB 3.63Å; F53-D135 WeakPolarHBondContact CE2-OD2 3.3Å; F53-D135 HydrophobicContact CZ-CB 3.81Å; Q133-D135 PolarHBondContact O-N 2.92Å; D135-T137 PolarHBondContact O-N 3.35Å; D135-Q138 PolarHBondContact O-N 3.3Å; D135-Q138 VanDerWaalsContact O-N 3.13Å; D135-V139 WeakPolarHBondContact O-CG2 3.17Å; D135-V139 PolarHBondContact O-N 2.85Å
136F76.5Confident83.7Confident24 Ų2451.1 Ų51.111%0.10527%0.267CS..Hα-helixtrans-51.7-49.6171.9-164.2-103.5000110.7Q52 A125 I126 D129 Y130 Q133 Q138 V139 W140Q52-F136 VanDerWaalsContact CD-CD2 3.41Å; Q52-F136 VanDerWaalsContact OE1-CG 3.32Å; A125-F136 HydrophobicContact CB-CE2 4.24Å; A125-F136 HydrophobicContact CB-CZ 4.06Å; I126-F136 HydrophobicContact CB-CE1 4.3Å; I126-F136 HydrophobicContact CG1-CE1 3.96Å; I126-F136 HydrophobicContact CG1-CZ 3.93Å; D129-F136 HydrophobicContact CB-CB 4.25Å; D129-F136 HydrophobicContact CB-CD1 3.94Å; D129-F136 HydrophobicContact CB-CD2 4.35Å; D129-F136 HydrophobicContact CB-CE1 4.4Å; D129-F136 HydrophobicContact CB-CG 3.88Å; Y130-F136 HydrophobicContact CD2-CD1 4.28Å; Y130-F136 HydrophobicContact CD2-CE1 4.43Å; Q133-F136 HydrophobicContact CB-CB 3.84Å; Q133-F136 WeakPolarHBondContact O-CB 3.47Å; Q133-F136 PolarHBondContact O-N 3.03Å; F136-Q138 VanDerWaalsContact C-N 3.27Å; F136-Q138 PolarHBondContact O-N 3.04Å; F136-V139 PolarHBondContact O-N 3.27Å; F136-W140 AromaticContact CD1-CD1 3.65Å; F136-W140 AromaticContact CE1-CD1 3.2Å; F136-W140 HydrophobicContact CE1-CG 4.21Å; F136-W140 AromaticContact CE1-NE1 3.38Å; F136-W140 AromaticContact CE2-CD1 3.82Å; F136-W140 AromaticContact CE2-NE1 3.55Å; F136-W140 AromaticContact CZ-CD1 3.37Å; F136-W140 AromaticContact CZ-NE1 3.04Å; F136-W140 WeakPolarHBondContact O-CB 3.47Å; F136-W140 PolarHBondContact O-N 2.85Å
137T82.1Confident83.7Confident15 Ų1552.9 Ų52.99%0.09228%0.276CS..Hα-helixtrans-60.9-41.2-178-53.40000110.2Y130 G131 Q133 K134 D135 N141Y130-T137 HydrophobicContact CD2-CG2 4.16Å; Y130-T137 HydrophobicContact CE1-CG2 4.27Å; Y130-T137 HydrophobicContact CE2-CG2 3.76Å; G131-T137 PolarHBondContact N-OG1 2.78Å; Q133-T137 WeakPolarHBondContact O-CB 3.39Å; Q133-T137 PolarHBondContact O-N 2.72Å; Q133-T137 PolarHBondContact O-OG1 3.1Å; K134-T137 WeakPolarHBondContact O-CB 3.36Å; K134-T137 PolarHBondContact O-N 2.81Å; D135-T137 PolarHBondContact O-N 3.35Å; T137-N141 WeakPolarHBondContact O-CB 3.32Å; T137-N141 PolarHBondContact O-N 3.31Å; T137-N141 PolarHBondContact O-ND2 3.47Å; T137-N141 PolarHBondContact O-OD1 2.89Å
138Q81.3Confident83.6Confident54 Ų5458 Ų5825%0.25230%0.298SS..Hα-helixtrans-72.7-42.2179.8-170.5169.5-17.600113.5P45 L46 K134 D135 F136 W140 N141 T142P45-Q138 VanDerWaalsContact O-CD 3.26Å; P45-Q138 PolarHBondContact O-NE2 3.35Å; P45-Q138 PolarHBondContact O-OE1 2.93Å; L46-Q138 VanDerWaalsContact CA-OE1 3.28Å; L46-Q138 HydrophobicContact CD2-CG 3.82Å; K134-Q138 WeakPolarHBondContact O-CB 3.24Å; K134-Q138 PolarHBondContact O-N 3.27Å; D135-Q138 PolarHBondContact O-N 3.3Å; D135-Q138 VanDerWaalsContact O-N 3.13Å; F136-Q138 VanDerWaalsContact C-N 3.27Å; F136-Q138 PolarHBondContact O-N 3.04Å; Q138-W140 VanDerWaalsContact C-N 3.26Å; Q138-W140 PolarHBondContact O-N 3.45Å; Q138-N141 PolarHBondContact O-N 2.83Å; Q138-T142 PolarHBondContact O-N 3.2Å; Q138-T142 PolarHBondContact O-OG1 3.12Å; Q138-T142 VanDerWaalsContact O-OG1 3.1Å
139V80.1Confident83.8Confident71 Ų7150.9 Ų50.943%0.4327%0.268SS..Hα-helixtrans-56.3-48.1173.3170.90000109.2D135 F136 N141 T142 T143D135-V139 WeakPolarHBondContact O-CG2 3.17Å; D135-V139 PolarHBondContact O-N 2.85Å; F136-V139 PolarHBondContact O-N 3.27Å; V139-N141 PolarHBondContact O-N 3.42Å; V139-T142 PolarHBondContact O-N 3.05Å; V139-T143 WeakPolarHBondContact O-CB 3.35Å; V139-T143 PolarHBondContact O-N 2.02Å; V139-T143 PolarHBondContact O-OG1 2.95Å
140W87.3Confident84.2Confident30 Ų3050.1 Ų50.111%0.11426%0.263CS..Hα-helixtrans-63.1-40.9176.1-87.996.9000113.4V122 I126 Y130 F136 Q138 T142 T143 M144 F152 C199V122-W140 HydrophobicContact CG1-CH2 3.93Å; V122-W140 HydrophobicContact CG1-CZ2 3.41Å; V122-W140 VanDerWaalsContact CG1-CZ2 3.41Å; I126-W140 HydrophobicContact CD1-CD2 4.32Å; I126-W140 HydrophobicContact CD1-CE3 4.45Å; I126-W140 HydrophobicContact CD1-CH2 3.73Å; I126-W140 HydrophobicContact CD1-CZ2 3.59Å; I126-W140 HydrophobicContact CD1-CZ3 4.16Å; I126-W140 HydrophobicContact CG1-CD2 4.4Å; I126-W140 HydrophobicContact CG1-CZ2 3.93Å; Y130-W140 HydrophobicContact CD2-CB 3.96Å; Y130-W140 HydrophobicContact CD2-CG 4.38Å; Y130-W140 HydrophobicContact CE2-CB 3.77Å; F136-W140 AromaticContact CD1-CD1 3.65Å; F136-W140 AromaticContact CE1-CD1 3.2Å; F136-W140 HydrophobicContact CE1-CG 4.21Å; F136-W140 AromaticContact CE1-NE1 3.38Å; F136-W140 AromaticContact CE2-CD1 3.82Å; F136-W140 AromaticContact CE2-NE1 3.55Å; F136-W140 AromaticContact CZ-CD1 3.37Å; F136-W140 AromaticContact CZ-NE1 3.04Å; F136-W140 WeakPolarHBondContact O-CB 3.47Å; F136-W140 PolarHBondContact O-N 2.85Å; Q138-W140 VanDerWaalsContact C-N 3.26Å; Q138-W140 PolarHBondContact O-N 3.45Å; W140-T142 PolarHBondContact O-N 3.48Å; W140-T143 PolarHBondContact O-N 2.96Å; W140-M144 HydrophobicContact CB-CE 4.3Å; W140-M144 HydrophobicContact CE3-CG 4.39Å; W140-M144 VanDerWaalsContact O-CB 3.32Å; W140-M144 WeakPolarHBondContact O-CB 3.44Å; W140-M144 WeakPolarHBondContact O-CE 3.37Å; W140-M144 VanDerWaalsContact O-CG 3.25Å; W140-M144 WeakPolarHBondContact O-CG 3.47Å; W140-M144 PolarHBondContact O-N 3.49Å; W140-F152 HydrophobicContact CH2-CB 4.01Å; W140-F152 HydrophobicContact CH2-CD2 4.24Å; W140-C199 HydrophobicContact CZ3-CB 4.35Å
141N86.4Confident84.5Confident45 Ų4550 Ų5024%0.24126%0.263CS..Hα-helixtrans-60.7-45.5175.1-74.3-17.6000111.6Y130 T137 Q138 V139 M144 T145 F173Y130-N141 PolarHBondContact OH-OD1 3.49Å; T137-N141 WeakPolarHBondContact O-CB 3.32Å; T137-N141 PolarHBondContact O-N 3.31Å; T137-N141 PolarHBondContact O-ND2 3.47Å; T137-N141 PolarHBondContact O-OD1 2.89Å; Q138-N141 PolarHBondContact O-N 2.83Å; V139-N141 PolarHBondContact O-N 3.42Å; N141-M144 PolarHBondContact O-N 2.83Å; N141-M144 WeakPolarHBondContact OD1-CE 3.27Å; N141-T145 VanDerWaalsContact O-CB 3.32Å; N141-T145 WeakPolarHBondContact O-CB 3.42Å; N141-T145 PolarHBondContact O-N 2.9Å; N141-T145 PolarHBondContact O-OG1 3.44Å; N141-F173 HydrophobicContact CB-CE2 4Å; N141-F173 HydrophobicContact CB-CZ 4.38Å
142T83.4Confident84.8Confident62 Ų6249.6 Ų49.638%0.3826%0.255SS..Hα-helixtrans-63-47.1175.9-58.60000110.5Q138 V139 W140 M144 T145 E146Q138-T142 PolarHBondContact O-N 3.2Å; Q138-T142 PolarHBondContact O-OG1 3.12Å; Q138-T142 VanDerWaalsContact O-OG1 3.1Å; V139-T142 PolarHBondContact O-N 3.05Å; W140-T142 PolarHBondContact O-N 3.48Å; T142-M144 PolarHBondContact O-N 3.38Å; T142-T145 PolarHBondContact O-N 3.14Å; T142-T145 VanDerWaalsContact O-N 3.14Å; T142-E146 HydrophobicContact CG2-CG 4.01Å; T142-E146 WeakPolarHBondContact O-CB 3.18Å; T142-E146 WeakPolarHBondContact O-CG 2.96Å; T142-E146 PolarHBondContact O-N 2.84Å
143T88.1Confident85.1Confident46 Ų4648 Ų4828%0.28224%0.242SC..Hα-helixtrans-57-49.6176.6-61.40000111.5V139 W140 T145 E146 L147V139-T143 WeakPolarHBondContact O-CB 3.35Å; V139-T143 PolarHBondContact O-N 2.02Å; V139-T143 PolarHBondContact O-OG1 2.95Å; W140-T143 PolarHBondContact O-N 2.96Å; T143-T145 VanDerWaalsContact C-N 3.27Å; T143-T145 PolarHBondContact O-N 3.47Å; T143-E146 PolarHBondContact O-N 3.34Å; T143-L147 HydrophobicContact CG2-CD1 3.77Å; T143-L147 HydrophobicContact CG2-CG 4.49Å; T143-L147 VanDerWaalsContact O-CB 3.28Å; T143-L147 WeakPolarHBondContact O-CB 3.27Å; T143-L147 PolarHBondContact O-N 2.91Å
144M89.7Confident85.9Confident2 Ų249.3 Ų49.31%0.0125%0.25CC..Hα-helixtrans-62.4-34.4177.5-73.1-174.9-66.300112.4Y130 W140 N141 T142 K148 C149 F158 P171 F173Y130-M144 HydrophobicContact CE2-CE 4.11Å; W140-M144 HydrophobicContact CB-CE 4.3Å; W140-M144 HydrophobicContact CE3-CG 4.39Å; W140-M144 VanDerWaalsContact O-CB 3.32Å; W140-M144 WeakPolarHBondContact O-CB 3.44Å; W140-M144 WeakPolarHBondContact O-CE 3.37Å; W140-M144 VanDerWaalsContact O-CG 3.25Å; W140-M144 WeakPolarHBondContact O-CG 3.47Å; W140-M144 PolarHBondContact O-N 3.49Å; N141-M144 PolarHBondContact O-N 2.83Å; N141-M144 WeakPolarHBondContact OD1-CE 3.27Å; T142-M144 PolarHBondContact O-N 3.38Å; M144-K148 WeakPolarHBondContact O-CA 3.35Å; M144-K148 PolarHBondContact O-N 3.13Å; M144-C149 VanDerWaalsContact CB-O 3.27Å; M144-C149 WeakPolarHBondContact CB-O 3.42Å; M144-C149 WeakPolarHBondContact CG-O 3.39Å; M144-C149 PolarHBondContact O-N 2.96Å; M144-C149 VanDerWaalsContact O-N 3.12Å; M144-F158 HydrophobicContact CE-CZ 3.98Å; M144-F158 HydrophobicContact SD-CE2 3.96Å; M144-F158 HydrophobicContact SD-CZ 3.66Å; M144-P171 HydrophobicContact CE-CB 4.27Å; M144-F173 HydrophobicContact CB-CB 4.09Å; M144-F173 HydrophobicContact CB-CD2 4.4Å; M144-F173 HydrophobicContact CB-CG 4.17Å; M144-F173 HydrophobicContact CE-CD2 3.95Å; M144-F173 HydrophobicContact SD-CB 4.44Å
145T85.7Confident86.9Confident70 Ų7044.4 Ų44.443%0.42923%0.228SC..Hα-helixtrans-72.2-50.8178-57.40000111.9N141 T142 T143 K148 F173N141-T145 VanDerWaalsContact O-CB 3.32Å; N141-T145 WeakPolarHBondContact O-CB 3.42Å; N141-T145 PolarHBondContact O-N 2.9Å; N141-T145 PolarHBondContact O-OG1 3.44Å; T142-T145 PolarHBondContact O-N 3.14Å; T142-T145 VanDerWaalsContact O-N 3.14Å; T143-T145 VanDerWaalsContact C-N 3.27Å; T143-T145 PolarHBondContact O-N 3.47Å; T145-K148 PolarHBondContact O-N 2.82Å; T145-F173 WeakPolarHBondContact OG1-CE1 3.43Å; T145-F173 WeakPolarHBondContact OG1-CZ 3.4Å
146E86.2Confident88.1Confident147 Ų14746.3 Ų46.369%0.68724%0.24SC*.Hα-helixtrans-68-43.2-176.4-70-63.9150.700111.5T142 T143T142-E146 HydrophobicContact CG2-CG 4.01Å; T142-E146 WeakPolarHBondContact O-CB 3.18Å; T142-E146 WeakPolarHBondContact O-CG 2.96Å; T142-E146 PolarHBondContact O-N 2.84Å; T143-E146 PolarHBondContact O-N 3.34Å
147L89.7Confident88.9Confident37 Ų3745.5 Ų45.519%0.19424%0.237CC..Hα-helixtrans-86-9.7178.8-62.1179.1000112.8T143 C149 C199 Q202 L203T143-L147 HydrophobicContact CG2-CD1 3.77Å; T143-L147 HydrophobicContact CG2-CG 4.49Å; T143-L147 VanDerWaalsContact O-CB 3.28Å; T143-L147 WeakPolarHBondContact O-CB 3.27Å; T143-L147 PolarHBondContact O-N 2.91Å; L147-C149 HydrophobicContact CB-CB 4.46Å; L147-C149 WeakPolarHBondContact CB-SG 3.32Å; L147-C149 PolarHBondContact O-N 2.02Å; L147-C199 HydrophobicContact CD1-CB 4.48Å; L147-Q202 HydrophobicContact CB-CG 4.41Å; L147-Q202 WeakPolarHBondContact O-CG 3.31Å; L147-L203 HydrophobicContact CD1-CB 4.39Å
148K89.9Confident89.5Confident178 Ų17844.8 Ų44.877%0.77423%0.232SC*.THydrogen-bonded Turntrans54.849.5-177.5-55.9176.8-177.7172.40113.1M144 T145M144-K148 WeakPolarHBondContact O-CA 3.35Å; M144-K148 PolarHBondContact O-N 3.13Å; T145-K148 PolarHBondContact O-N 2.82Å
149C93.1Very high90Very high1 Ų144.8 Ų44.81%0.00723%0.232CC..  trans-133.2173.3-174.4570000111.2M144 L147 E197 C199 Q202M144-C149 VanDerWaalsContact CB-O 3.27Å; M144-C149 WeakPolarHBondContact CB-O 3.42Å; M144-C149 WeakPolarHBondContact CG-O 3.39Å; M144-C149 PolarHBondContact O-N 2.96Å; M144-C149 VanDerWaalsContact O-N 3.12Å; L147-C149 HydrophobicContact CB-CB 4.46Å; L147-C149 WeakPolarHBondContact CB-SG 3.32Å; L147-C149 PolarHBondContact O-N 2.02Å; C149-E197 WeakPolarHBondContact CA-O 3.42Å; C149-E197 WeakPolarHBondContact CB-O 3.39Å; C149-C199 VanDerWaalsContact CB-CA 3.47Å; C149-C199 HydrophobicContact CB-CB 3.84Å; C149-C199 WeakPolarHBondContact CB-SG 2.96Å; C149-C199 WeakPolarHBondContact SG-CA 3.14Å; C149-C199 WeakPolarHBondContact SG-CB 3.25Å; C149-C199 CovalentContact SG-SG 2.02Å; C149-C199 PolarHBondContact SG-SG 3.36Å; C149-Q202 HydrophobicContact CB-CB 3.99Å; C149-Q202 HydrophobicContact CB-CG 4.26Å
150C93.2Very high90.5Very high1 Ų146.5 Ų46.51%0.00724%0.239CC..  trans-136.4127.8176.5163.70000112.3N154 Y155 C174 V196 E197C150-N154 CarbonylContact O-C 3.53Å; C150-N154 WeakPolarHBondContact O-CA 3.34Å; C150-Y155 WeakPolarHBondContact SG-CA 3.27Å; C150-Y155 VanDerWaalsContact SG-CB 3.55Å; C150-C174 HydrophobicContact CB-CB 3.81Å; C150-C174 WeakPolarHBondContact CB-SG 3.44Å; C150-C174 VanDerWaalsContact SG-CA 3.57Å; C150-C174 WeakPolarHBondContact SG-CB 3.44Å; C150-C174 CovalentContact SG-SG 2.02Å; C150-C174 PolarHBondContact SG-SG 2.92Å; C150-V196 HydrophobicContact CB-CB 4.03Å; C150-V196 HydrophobicContact CB-CG1 3.74Å; C150-E197 PolarHBondContact N-O 3.15Å
151G92.9Very high90.8Very high0 Ų045.1 Ų45.10%023%0.234CC..SBendtrans68.5-175-179.500000112.5C199G151-C199 WeakPolarHBondContact O-CB 3.18Å; G151-C199 PolarHBondContact O-N 3.45Å; G151-C199 PolarHBondContact O-SG 3.25Å
152F93.4Very high91.2Very high13 Ų1344 Ų446%0.05723%0.229CC..SBendtrans-78.4-52.8173.2-179.2-97.3000110.1L118 T119 V122 V123 I126 W140 D157 G198 C199 F200L118-F152 HydrophobicContact CB-CE1 4.34Å; L118-F152 HydrophobicContact CB-CE2 4.09Å; L118-F152 HydrophobicContact CB-CZ 3.52Å; T119-F152 HydrophobicContact CG2-CD1 4.49Å; T119-F152 VanDerWaalsContact OG1-CE1 3.25Å; T119-F152 WeakPolarHBondContact OG1-CE1 3.46Å; V122-F152 HydrophobicContact CB-CD2 3.94Å; V122-F152 HydrophobicContact CB-CE2 4.32Å; V122-F152 HydrophobicContact CB-CG 4.19Å; V122-F152 HydrophobicContact CG1-CB 4Å; V122-F152 HydrophobicContact CG1-CD2 3.62Å; V122-F152 HydrophobicContact CG1-CE2 4.39Å; V122-F152 HydrophobicContact CG1-CG 3.92Å; V122-F152 HydrophobicContact CG2-CD2 4.25Å; V122-F152 HydrophobicContact CG2-CE2 4.21Å; V123-F152 HydrophobicContact CG2-CB 4.22Å; V123-F152 HydrophobicContact CG2-CD1 4.28Å; I126-F152 HydrophobicContact CD1-CB 4.04Å; W140-F152 HydrophobicContact CH2-CB 4.01Å; W140-F152 HydrophobicContact CH2-CD2 4.24Å; F152-D157 WeakPolarHBondContact CA-OD2 3.46Å; F152-D157 WeakPolarHBondContact CB-OD2 3.45Å; F152-D157 PolarHBondContact N-OD2 3.24Å; F152-G198 CarbonylContact O-C 3.51Å; F152-C199 PolarHBondContact O-N 3.27Å; F152-F200 HydrophobicContact CD2-CB 4.24Å; F152-F200 HydrophobicContact CE1-CB 4.08Å; F152-F200 HydrophobicContact CE1-CG 4.27Å; F152-F200 HydrophobicContact CE2-CB 3.8Å; F152-F200 AromaticContact CE2-CD2 3.85Å; F152-F200 HydrophobicContact CE2-CD2 3.85Å; F152-F200 HydrophobicContact CE2-CG 4.08Å; F152-F200 HydrophobicContact CZ-CB 3.7Å; F152-F200 HydrophobicContact CZ-CD1 4.49Å; F152-F200 AromaticContact CZ-CD2 3.62Å; F152-F200 HydrophobicContact CZ-CD2 3.62Å; F152-F200 HydrophobicContact CZ-CE2 4.4Å; F152-F200 AromaticContact CZ-CG 3.67Å; F152-F200 HydrophobicContact CZ-CG 3.67Å; F152-F200 WeakPolarHBondContact O-CB 3.24Å; F152-F200 PolarHBondContact O-N 3.46Å; F152-F200 VanDerWaalsContact O-N 3.09Å
153T92.6Very high91.5Very high46 Ų4643.7 Ų43.728%0.28222%0.221SC..SBendtrans-100.1-44.6173.165.70000112.5T119 D157 G198T119-T153 HydrophobicContact CG2-CG2 4.13Å; T153-D157 PolarHBondContact N-OD2 3.48Å; T153-D157 PolarHBondContact OG1-OD1 3.5Å; T153-D157 PolarHBondContact OG1-OD2 3.26Å; T153-G198 WeakPolarHBondContact O-CA 3.47Å; T153-G198 PolarHBondContact O-N 3.34Å
154N92.6Very high91.7Very high56 Ų5642.6 Ų42.630%0.29921%0.214SC..SBendtrans-169.4-173.4178.364.131.2000111.1C150 T156 D157C150-N154 CarbonylContact O-C 3.53Å; C150-N154 WeakPolarHBondContact O-CA 3.34Å; N154-T156 PolarHBondContact O-N 2.58Å; N154-T156 WeakPolarHBondContact OD1-CA 3.25Å; N154-T156 VanDerWaalsContact OD1-CB 3.27Å; N154-T156 WeakPolarHBondContact OD1-CB 3.45Å; N154-T156 PolarHBondContact OD1-N 2.78Å; N154-T156 PolarHBondContact OD1-OG1 2.81Å; N154-D157 PolarHBondContact N-OD2 3.24Å; N154-D157 WeakPolarHBondContact O-CB 3.35Å; N154-D157 PolarHBondContact O-N 2.86Å
155Y92Very high91.8Very high30 Ų3050.3 Ų50.312%0.11824%0.243CC..G310 helixtrans-60.4-24.7179.578.1-87.8000115C150 D157 F158 F170 K188 A191 D192C150-Y155 WeakPolarHBondContact SG-CA 3.27Å; C150-Y155 VanDerWaalsContact SG-CB 3.55Å; Y155-D157 PolarHBondContact O-N 3.23Å; Y155-F158 PolarHBondContact O-N 3.18Å; Y155-F170 HydrophobicContact CD2-CD1 4.01Å; Y155-F170 AromaticContact CD2-CE1 3.73Å; Y155-F170 HydrophobicContact CD2-CE1 3.73Å; Y155-F170 HydrophobicContact CD2-CE2 4.27Å; Y155-F170 HydrophobicContact CD2-CG 4.41Å; Y155-F170 AromaticContact CD2-CZ 3.87Å; Y155-F170 HydrophobicContact CD2-CZ 3.87Å; Y155-F170 HydrophobicContact CE2-CE1 4.39Å; Y155-F170 HydrophobicContact CE2-CE2 4.46Å; Y155-F170 HydrophobicContact CE2-CZ 4.11Å; Y155-F170 WeakPolarHBondContact O-CD1 3.06Å; Y155-F170 WeakPolarHBondContact O-CE1 3.32Å; Y155-K188 HydrophobicContact CE2-CG 4.26Å; Y155-A191 HydrophobicContact CD1-CB 4.16Å; Y155-A191 HydrophobicContact CD2-CB 3.74Å; Y155-A191 HydrophobicContact CE2-CB 4.24Å; Y155-A191 HydrophobicContact CG-CB 3.71Å; Y155-D192 HydrophobicContact CE1-CB 4.22Å
156T93.9Very high92.1Very high45 Ų4554.1 Ų54.128%0.27626%0.256SS..G310 helixtrans-68.6-17.1-178.571.40000112.8N154 F158 E159N154-T156 PolarHBondContact O-N 2.58Å; N154-T156 WeakPolarHBondContact OD1-CA 3.25Å; N154-T156 VanDerWaalsContact OD1-CB 3.27Å; N154-T156 WeakPolarHBondContact OD1-CB 3.45Å; N154-T156 PolarHBondContact OD1-N 2.78Å; N154-T156 PolarHBondContact OD1-OG1 2.81Å; T156-F158 PolarHBondContact O-N 2.84Å; T156-F158 VanDerWaalsContact O-N 3.15Å; T156-E159 VanDerWaalsContact O-CB 3.28Å; T156-E159 WeakPolarHBondContact O-CB 3.39Å; T156-E159 WeakPolarHBondContact O-CG 3.5Å; T156-E159 PolarHBondContact O-N 3.25Å
157D94.4Very high92.2Very high7 Ų750.9 Ų50.94%0.03724%0.244CC..G310 helixtrans-60.6-24.6174-64.2-29.9000112.4V123 I126 K127 F152 T153 N154 Y155V123-D157 HydrophobicContact CG1-CB 4.26Å; V123-D157 HydrophobicContact CG2-CB 4.47Å; V123-D157 WeakPolarHBondContact CG2-OD1 3.36Å; I126-D157 HydrophobicContact CD1-CB 4.28Å; I126-D157 WeakPolarHBondContact CG2-O 3.38Å; K127-D157 VanDerWaalsContact CG-O 3.24Å; K127-D157 WeakPolarHBondContact CG-O 3.28Å; F152-D157 WeakPolarHBondContact CA-OD2 3.46Å; F152-D157 WeakPolarHBondContact CB-OD2 3.45Å; F152-D157 PolarHBondContact N-OD2 3.24Å; T153-D157 PolarHBondContact N-OD2 3.48Å; T153-D157 PolarHBondContact OG1-OD1 3.5Å; T153-D157 PolarHBondContact OG1-OD2 3.26Å; N154-D157 PolarHBondContact N-OD2 3.24Å; N154-D157 WeakPolarHBondContact O-CB 3.35Å; N154-D157 PolarHBondContact O-N 2.86Å; Y155-D157 PolarHBondContact O-N 3.23Å
158F94.4Very high92.2Very high0 Ų055.8 Ų55.80%027%0.27CS..G310 helixtrans-87.7-6.1176.1-61-71.1000113.8I126 Y130 M144 Y155 T156 D160 S161 V164 F170 P171I126-F158 HydrophobicContact CG2-CD1 3.38Å; I126-F158 HydrophobicContact CG2-CE1 3.47Å; I126-F158 VanDerWaalsContact CG2-CE1 3.47Å; I126-F158 HydrophobicContact CG2-CG 4.23Å; I126-F158 HydrophobicContact CG2-CZ 4.38Å; Y130-F158 AromaticContact CD1-CD1 3.48Å; Y130-F158 HydrophobicContact CD1-CD1 3.48Å; Y130-F158 VanDerWaalsContact CD1-CD1 3.48Å; Y130-F158 AromaticContact CD1-CE1 3.67Å; Y130-F158 HydrophobicContact CD1-CE1 3.67Å; Y130-F158 HydrophobicContact CD2-CD1 4.19Å; Y130-F158 AromaticContact CD2-CE1 3.53Å; Y130-F158 HydrophobicContact CD2-CE1 3.53Å; Y130-F158 AromaticContact CE1-CD1 3.77Å; Y130-F158 HydrophobicContact CE1-CD1 3.77Å; Y130-F158 AromaticContact CE1-CE1 3.76Å; Y130-F158 HydrophobicContact CE1-CE1 3.76Å; Y130-F158 HydrophobicContact CE2-CD1 4.4Å; Y130-F158 AromaticContact CE2-CE1 3.59Å; Y130-F158 HydrophobicContact CE2-CE1 3.59Å; Y130-F158 HydrophobicContact CE2-CZ 4.25Å; Y130-F158 AromaticContact CG-CD1 3.72Å; Y130-F158 HydrophobicContact CG-CD1 3.72Å; Y130-F158 AromaticContact CG-CE1 3.56Å; Y130-F158 HydrophobicContact CG-CE1 3.56Å; Y130-F158 AromaticContact CZ-CE1 3.7Å; M144-F158 HydrophobicContact CE-CZ 3.98Å; M144-F158 HydrophobicContact SD-CE2 3.96Å; M144-F158 HydrophobicContact SD-CZ 3.66Å; Y155-F158 PolarHBondContact O-N 3.18Å; T156-F158 PolarHBondContact O-N 2.84Å; T156-F158 VanDerWaalsContact O-N 3.15Å; F158-D160 PolarHBondContact O-N 3.44Å; F158-S161 WeakPolarHBondContact O-CB 3.39Å; F158-S161 PolarHBondContact O-N 3.44Å; F158-S161 PolarHBondContact O-OG 2.93Å; F158-V164 HydrophobicContact CB-CG2 4Å; F158-V164 VanDerWaalsContact O-CG2 3.23Å; F158-V164 WeakPolarHBondContact O-CG2 3.05Å; F158-F170 HydrophobicContact CB-CD1 4.06Å; F158-F170 HydrophobicContact CB-CE1 4.33Å; F158-P171 HydrophobicContact CD1-CG 4.09Å; F158-P171 HydrophobicContact CD2-CG 3.89Å; F158-P171 HydrophobicContact CE1-CG 4.13Å; F158-P171 HydrophobicContact CE2-CG 3.91Å; F158-P171 HydrophobicContact CG-CG 3.98Å; F158-P171 HydrophobicContact CZ-CG 4.04Å
159E92Very high92.2Very high53 Ų5347.7 Ų47.725%0.24824%0.237CC..THydrogen-bonded Turntrans-56.6133.8175.2-73-173.8160.600109.9K127 T156 S161 F170 K188K127-E159 WeakPolarHBondContact CD-O 3.36Å; K127-E159 VanDerWaalsContact CE-O 3.31Å; K127-E159 WeakPolarHBondContact CE-O 3.2Å; K127-E159 PolarHBondContact NZ-O 2.86Å; T156-E159 VanDerWaalsContact O-CB 3.28Å; T156-E159 WeakPolarHBondContact O-CB 3.39Å; T156-E159 WeakPolarHBondContact O-CG 3.5Å; T156-E159 PolarHBondContact O-N 3.25Å; E159-S161 PolarHBondContact O-N 3.48Å; E159-F170 HydrophobicContact CG-CE1 4.06Å; E159-F170 HydrophobicContact CG-CZ 4Å; E159-K188 IonicContact OE1-NZ 2.73Å; E159-K188 PolarHBondContact OE1-NZ 3.5Å
160D90.4Very high92Very high108 Ų10848.3 Ų48.358%0.57824%0.239SC*.THydrogen-bonded Turntrans67.21.1-175.4-47.7-53.4000116.2F158 R165F158-D160 PolarHBondContact O-N 3.44Å; D160-R165 PolarHBondContact O-NE 2.95Å; D160-R165 PolarHBondContact O-NH2 2.97Å
161S93.3Very high91.9Very high0 Ų048.3 Ų48.30%024%0.239CC..  trans-60.1148.1172.768.40000111.1K127 F158 E159 Y163 V164 R165K127-S161 WeakPolarHBondContact O-CA 3.49Å; F158-S161 WeakPolarHBondContact O-CB 3.39Å; F158-S161 PolarHBondContact O-N 3.44Å; F158-S161 PolarHBondContact O-OG 2.93Å; E159-S161 PolarHBondContact O-N 3.48Å; S161-Y163 PolarHBondContact O-N 2.91Å; S161-Y163 VanDerWaalsContact O-N 3.15Å; S161-V164 PolarHBondContact O-N 3.45Å; S161-V164 VanDerWaalsContact O-N 3.12Å; S161-V164 PolarHBondContact OG-N 2.72Å; S161-R165 PolarHBondContact O-N 3.18Å
162P93.4Very high91.5Very high22 Ų2250.7 Ų50.714%0.14326%0.255CS..Hα-helixtrans-46.7-39.6171.6-28.631.6000113.2K127 Y130 R165 E166K127-P162 VanDerWaalsContact O-CD 3.26Å; K127-P162 WeakPolarHBondContact O-CD 3.49Å; Y130-P162 WeakPolarHBondContact O-CD 3.32Å; P162-R165 PolarHBondContact O-N 3.48Å; P162-E166 WeakPolarHBondContact O-CB 3.41Å; P162-E166 PolarHBondContact O-N 3.37Å
163Y91.4Very high91.1Very high55 Ų5553.3 Ų53.322%0.21627%0.266CS..Hα-helixtrans-59.2-52.2177.5-173.6-92.3000112.7Y130 S161 R165 E166 N167 A169 P171Y130-Y163 HydrophobicContact CD1-CG 4.03Å; Y130-Y163 AromaticContact CE1-CD1 3.97Å; Y130-Y163 HydrophobicContact CE1-CD1 3.97Å; Y130-Y163 AromaticContact CE1-CD2 3.98Å; Y130-Y163 HydrophobicContact CE1-CD2 3.98Å; Y130-Y163 AromaticContact CE1-CG 3.59Å; Y130-Y163 HydrophobicContact CE1-CG 3.59Å; Y130-Y163 PolarHBondContact O-N 3.38Å; S161-Y163 PolarHBondContact O-N 2.91Å; S161-Y163 VanDerWaalsContact O-N 3.15Å; Y163-R165 VanDerWaalsContact C-N 3.34Å; Y163-R165 PolarHBondContact O-N 3.1Å; Y163-E166 PolarHBondContact O-N 2.99Å; Y163-N167 WeakPolarHBondContact O-CB 3.07Å; Y163-N167 PolarHBondContact O-N 2.81Å; Y163-N167 PolarHBondContact O-ND2 2.83Å; Y163-A169 WeakPolarHBondContact CE1-O 3.29Å; Y163-P171 HydrophobicContact CD1-CG 4.36Å; Y163-P171 HydrophobicContact CE1-CG 4.28Å
164V92.4Very high90.9Very high23 Ų2351.2 Ų51.214%0.13925%0.253CS..Hα-helixtrans-67.6-37.6-178174.10000110.6F158 S161 E166 N168 F170F158-V164 HydrophobicContact CB-CG2 4Å; F158-V164 VanDerWaalsContact O-CG2 3.23Å; F158-V164 WeakPolarHBondContact O-CG2 3.05Å; S161-V164 PolarHBondContact O-N 3.45Å; S161-V164 VanDerWaalsContact O-N 3.12Å; S161-V164 PolarHBondContact OG-N 2.72Å; V164-E166 VanDerWaalsContact C-N 3.35Å; V164-E166 PolarHBondContact O-N 3.49Å; V164-N168 WeakPolarHBondContact O-CA 3.47Å; V164-N168 PolarHBondContact O-N 3.27Å; V164-F170 HydrophobicContact CG2-CD1 4.02Å; V164-F170 HydrophobicContact CG2-CE1 4.2Å
165R91.9Very high90.6Very high165 Ų16548.9 Ų48.962%0.62324%0.241SC*.Hα-helixtrans-64.6-36.3177.5-76.6-171.4-80.7147.7-5113.3D160 S161 P162 Y163D160-R165 PolarHBondContact O-NE 2.95Å; D160-R165 PolarHBondContact O-NH2 2.97Å; S161-R165 PolarHBondContact O-N 3.18Å; P162-R165 PolarHBondContact O-N 3.48Å; Y163-R165 VanDerWaalsContact C-N 3.34Å; Y163-R165 PolarHBondContact O-N 3.1Å
166E91.3Very high89.6Confident149 Ų14951.8 Ų51.870%0.69626%0.259SS*.Hα-helixtrans-80.6-41.6179.9-172.5174.7-175.100112.2P162 Y163 V164P162-E166 WeakPolarHBondContact O-CB 3.41Å; P162-E166 PolarHBondContact O-N 3.37Å; Y163-E166 PolarHBondContact O-N 2.99Å; V164-E166 VanDerWaalsContact C-N 3.35Å; V164-E166 PolarHBondContact O-N 3.49Å
167N87.4Confident88Confident80 Ų8053 Ų5343%0.42826%0.264SS..Hα-helixtrans-96.3-11.3-172-62.7-81.7000113.8Y163 A169Y163-N167 WeakPolarHBondContact O-CB 3.07Å; Y163-N167 PolarHBondContact O-N 2.81Å; Y163-N167 PolarHBondContact O-ND2 2.83Å; N167-A169 HydrophobicContact CB-CB 4.47Å; N167-A169 PolarHBondContact O-N 2.91Å; N167-A169 VanDerWaalsContact O-N 3.12Å
168N89.3Confident86Confident140 Ų14058.4 Ų58.475%0.74930%0.296SS*.SBendtrans49.331.5-169.1-65.9-61.6000113V164V164-N168 WeakPolarHBondContact O-CA 3.47Å; V164-N168 PolarHBondContact O-N 3.27Å
169A89.9Confident83.7Confident8 Ų863.3 Ų63.37%0.06633%0.326CS..SBendtrans-150.5151.3-175.700000110.7Y163 N167 C186Y163-A169 WeakPolarHBondContact CE1-O 3.29Å; N167-A169 HydrophobicContact CB-CB 4.47Å; N167-A169 PolarHBondContact O-N 2.91Å; N167-A169 VanDerWaalsContact O-N 3.12Å; A169-C186 WeakPolarHBondContact CA-O 3.47Å
170F90.9Very high81.4Confident14 Ų1468.2 Ų68.26%0.06136%0.355CS..  trans-80.7163.9174-69.9-87.3000111.3Y155 F158 E159 V164 C186 K188 A191Y155-F170 HydrophobicContact CD2-CD1 4.01Å; Y155-F170 AromaticContact CD2-CE1 3.73Å; Y155-F170 HydrophobicContact CD2-CE1 3.73Å; Y155-F170 HydrophobicContact CD2-CE2 4.27Å; Y155-F170 HydrophobicContact CD2-CG 4.41Å; Y155-F170 AromaticContact CD2-CZ 3.87Å; Y155-F170 HydrophobicContact CD2-CZ 3.87Å; Y155-F170 HydrophobicContact CE2-CE1 4.39Å; Y155-F170 HydrophobicContact CE2-CE2 4.46Å; Y155-F170 HydrophobicContact CE2-CZ 4.11Å; Y155-F170 WeakPolarHBondContact O-CD1 3.06Å; Y155-F170 WeakPolarHBondContact O-CE1 3.32Å; F158-F170 HydrophobicContact CB-CD1 4.06Å; F158-F170 HydrophobicContact CB-CE1 4.33Å; E159-F170 HydrophobicContact CG-CE1 4.06Å; E159-F170 HydrophobicContact CG-CZ 4Å; V164-F170 HydrophobicContact CG2-CD1 4.02Å; V164-F170 HydrophobicContact CG2-CE1 4.2Å; F170-C186 HydrophobicContact CB-CB 4.37Å; F170-C186 PolarHBondContact N-O 2.85Å; F170-C186 WeakPolarHBondContact O-CB 3.33Å; F170-K188 HydrophobicContact CE2-CB 3.88Å; F170-K188 HydrophobicContact CE2-CG 4.3Å; F170-A191 HydrophobicContact CD2-CB 4.5Å
171P89.5Confident79.4Confident0 Ų067 Ų670%035%0.351CS..  trans-54.9139.1174.1-26.836.9000111.5Y130 M144 F158 Y163 F173 C174Y130-P171 HydrophobicContact CE1-CG 3.6Å; Y130-P171 WeakPolarHBondContact OH-CB 3.26Å; Y130-P171 VanDerWaalsContact OH-CG 3.25Å; Y130-P171 WeakPolarHBondContact OH-CG 3.25Å; M144-P171 HydrophobicContact CE-CB 4.27Å; F158-P171 HydrophobicContact CD1-CG 4.09Å; F158-P171 HydrophobicContact CD2-CG 3.89Å; F158-P171 HydrophobicContact CE1-CG 4.13Å; F158-P171 HydrophobicContact CE2-CG 3.91Å; F158-P171 HydrophobicContact CG-CG 3.98Å; F158-P171 HydrophobicContact CZ-CG 4.04Å; Y163-P171 HydrophobicContact CD1-CG 4.36Å; Y163-P171 HydrophobicContact CE1-CG 4.28Å; P171-F173 HydrophobicContact CB-CD2 4.37Å; P171-F173 PolarHBondContact O-N 3.39Å; P171-F173 VanDerWaalsContact O-N 3.1Å; P171-C174 VanDerWaalsContact O-CB 3.26Å; P171-C174 WeakPolarHBondContact O-CB 3.49Å; P171-C174 PolarHBondContact O-N 2.93Å
172P85.9Confident77.4Confident51 Ų5173.3 Ų73.333%0.33139%0.389SS..G310 helixtrans-60.6-26.9-174.923.3-33.8000113.4C174 C175P172-C174 PolarHBondContact O-N 3.41Å; P172-C175 PolarHBondContact O-N 2.03Å; P172-C175 VanDerWaalsContact O-N 3.08Å
173F83.9Confident75.5Confident68 Ų6879.4 Ų79.430%0.29842%0.421SS..G310 helixtrans-60.9-26.9175.4-51.3-74.7000112.8N141 M144 T145 P171 C175N141-F173 HydrophobicContact CB-CE2 4Å; N141-F173 HydrophobicContact CB-CZ 4.38Å; M144-F173 HydrophobicContact CB-CB 4.09Å; M144-F173 HydrophobicContact CB-CD2 4.4Å; M144-F173 HydrophobicContact CB-CG 4.17Å; M144-F173 HydrophobicContact CE-CD2 3.95Å; M144-F173 HydrophobicContact SD-CB 4.44Å; T145-F173 WeakPolarHBondContact OG1-CE1 3.43Å; T145-F173 WeakPolarHBondContact OG1-CZ 3.4Å; P171-F173 HydrophobicContact CB-CD2 4.37Å; P171-F173 PolarHBondContact O-N 3.39Å; P171-F173 VanDerWaalsContact O-N 3.1Å; F173-C175 VanDerWaalsContact C-N 3.25Å; F173-C175 PolarHBondContact O-N 3.08Å
174C88.6Confident74.2Confident1 Ų182 Ų821%0.00744%0.435CS..G310 helixtrans-76.2-11177.2-59.10000113.9C150 P171 P172 V196C150-C174 HydrophobicContact CB-CB 3.81Å; C150-C174 WeakPolarHBondContact CB-SG 3.44Å; C150-C174 VanDerWaalsContact SG-CA 3.57Å; C150-C174 WeakPolarHBondContact SG-CB 3.44Å; C150-C174 CovalentContact SG-SG 2.02Å; C150-C174 PolarHBondContact SG-SG 2.92Å; P171-C174 VanDerWaalsContact O-CB 3.26Å; P171-C174 WeakPolarHBondContact O-CB 3.49Å; P171-C174 PolarHBondContact O-N 2.93Å; P172-C174 PolarHBondContact O-N 3.41Å; C174-V196 WeakPolarHBondContact O-CG2 3.31Å
175C86.9Confident73.5Confident8 Ų885.1 Ų85.15%0.05445%0.454CS..G310 helixtrans-11614.7177.7-72.30000113.3P172 F173 N177 C186 Q194P172-C175 PolarHBondContact O-N 2.03Å; P172-C175 VanDerWaalsContact O-N 3.08Å; F173-C175 VanDerWaalsContact C-N 3.25Å; F173-C175 PolarHBondContact O-N 3.08Å; C175-N177 PolarHBondContact O-N 3.26Å; C175-C186 HydrophobicContact CB-CB 3.76Å; C175-C186 WeakPolarHBondContact CB-SG 3.35Å; C175-C186 WeakPolarHBondContact SG-CA 3.46Å; C175-C186 WeakPolarHBondContact SG-CB 3.43Å; C175-C186 CovalentContact SG-SG 2.03Å; C175-C186 PolarHBondContact SG-SG 3.4Å; C175-Q194 PolarHBondContact O-NE2 3.39Å
176N69.6Low73.3Confident90 Ų9077.5 Ų77.548%0.48143%0.426SS..THydrogen-bonded Turntrans51.550.2177.1-158.58.6000114V178N176-V178 PolarHBondContact O-N 2.95Å
177N60.2Low73.2Confident72 Ų7272.4 Ų72.439%0.38541%0.405SS..  trans-77.169.5175.1-90.8-7000111.8C175C175-N177 PolarHBondContact O-N 3.26Å
178V52.9Low73.2Confident119 Ų11973.7 Ų73.772%0.72141%0.407SS*.  trans-85.8-15.7162.9-178.20000110.9N176N176-V178 PolarHBondContact O-N 2.95Å
179T45.8Very low73Confident103 Ų10372.6 Ų72.663%0.63240%0.397SS*.SBendtrans-100.6118.4177.552.20000111.7T181T179-T181 VanDerWaalsContact C-N 3.28Å; T179-T181 PolarHBondContact O-N 3.1Å
180N44.7Very low72.8Confident157 Ų15775.6 Ų75.684%0.8441%0.409SS*.  trans-55.767.1178.9-65.4-55.3000115.4
181T47.7Very low72.6Confident82 Ų8275 Ų7550%0.50341%0.407SS..  trans-110.492.8160.237.90000108.5T179 N183T179-T181 VanDerWaalsContact C-N 3.28Å; T179-T181 PolarHBondContact O-N 3.1Å; T181-N183 PolarHBondContact O-N 2.69Å
182V51.8Low72.4Confident132 Ų13279 Ų7980%0.843%0.428SS*.THydrogen-bonded Turntrans-58.7-2.5-166174.40000115.4
183N54.2Low72.4Confident150 Ų15083.9 Ų83.980%0.80245%0.446SS*.THydrogen-bonded Turntrans-129.910.8-169.4-72.5-15.3000116.1T181T181-N183 PolarHBondContact O-N 2.69Å
184E63.7Low72.2Confident109 Ų10985 Ų8551%0.50945%0.452SS..  trans-94.4113.3177.2-66.9-156.6155.100112.1K190E184-K190 IonicContact OE1-NZ 3.67Å; E184-K190 IonicContact OE2-NZ 2.65Å; E184-K190 PolarHBondContact OE2-NZ 3.1Å
185T78.5Confident71.7Confident89 Ų8993.3 Ų93.355%0.54649%0.488SS..  trans-66.6138.5170.549.20000110.4T187T185-T187 PolarHBondContact O-N 3.31Å; T185-T187 VanDerWaalsContact O-N 3.11Å
186C86.6Confident71.7Confident5 Ų594.5 Ų94.53%0.03450%0.495CS..  trans-78.792.5175.9-1780000109.1A169 F170 C175A169-C186 WeakPolarHBondContact CA-O 3.47Å; F170-C186 HydrophobicContact CB-CB 4.37Å; F170-C186 PolarHBondContact N-O 2.85Å; F170-C186 WeakPolarHBondContact O-CB 3.33Å; C175-C186 HydrophobicContact CB-CB 3.76Å; C175-C186 WeakPolarHBondContact CB-SG 3.35Å; C175-C186 WeakPolarHBondContact SG-CA 3.46Å; C175-C186 WeakPolarHBondContact SG-CB 3.43Å; C175-C186 CovalentContact SG-SG 2.03Å; C175-C186 PolarHBondContact SG-SG 3.4Å
187T89.1Confident72.7Confident43 Ų4395.7 Ų95.726%0.26450%0.498SS..  trans-78.3165.7177.973.80000111.4T185 E189 K190 A191T185-T187 PolarHBondContact O-N 3.31Å; T185-T187 VanDerWaalsContact O-N 3.11Å; T187-E189 VanDerWaalsContact C-N 3.28Å; T187-E189 VanDerWaalsContact CB-OE2 3.28Å; T187-E189 WeakPolarHBondContact CB-OE2 3.47Å; T187-E189 PolarHBondContact O-N 3.46Å; T187-E189 PolarHBondContact OG1-OE2 3.42Å; T187-K190 PolarHBondContact O-N 3.36Å; T187-K190 PolarHBondContact OG1-N 3Å; T187-A191 PolarHBondContact O-N 3Å
188K86.9Confident74.3Confident106 Ų10692.3 Ų92.346%0.46148%0.48SS..Hα-helixtrans-56.9-42.7177.8-175.4163.4175.6150.90112Y155 E159 F170 A191 D192Y155-K188 HydrophobicContact CE2-CG 4.26Å; E159-K188 IonicContact OE1-NZ 2.73Å; E159-K188 PolarHBondContact OE1-NZ 3.5Å; F170-K188 HydrophobicContact CE2-CB 3.88Å; F170-K188 HydrophobicContact CE2-CG 4.3Å; K188-A191 PolarHBondContact O-N 2.82Å; K188-D192 WeakPolarHBondContact O-CB 3.09Å; K188-D192 PolarHBondContact O-N 3.49Å
189E86.5Confident76.2Confident118 Ų11886.9 Ų86.955%0.55145%0.447SS*.Hα-helixtrans-63.3-43.7178.9-56.775.2-162.200110.8T187 D192 H193T187-E189 VanDerWaalsContact C-N 3.28Å; T187-E189 VanDerWaalsContact CB-OE2 3.28Å; T187-E189 WeakPolarHBondContact CB-OE2 3.47Å; T187-E189 PolarHBondContact O-N 3.46Å; T187-E189 PolarHBondContact OG1-OE2 3.42Å; E189-D192 PolarHBondContact O-N 3.19Å; E189-H193 WeakPolarHBondContact O-CB 3.49Å; E189-H193 PolarHBondContact O-CD2 3.4Å; E189-H193 VanDerWaalsContact O-CG 3.29Å; E189-H193 PolarHBondContact O-N 3.2Å
190K85.3Confident78.4Confident71 Ų7183 Ų8331%0.30942%0.422SS..Hα-helixtrans-65-43.2179.1-71.6-173.1178.2-1770112.1E184 T187 D192 H193 Q194E184-K190 IonicContact OE1-NZ 3.67Å; E184-K190 IonicContact OE2-NZ 2.65Å; E184-K190 PolarHBondContact OE2-NZ 3.1Å; T187-K190 PolarHBondContact O-N 3.36Å; T187-K190 PolarHBondContact OG1-N 3Å; K190-D192 VanDerWaalsContact C-N 3.35Å; K190-H193 PolarHBondContact O-N 3.44Å; K190-Q194 WeakPolarHBondContact O-CB 3.28Å; K190-Q194 VanDerWaalsContact O-CG 3.29Å; K190-Q194 WeakPolarHBondContact O-CG 3.46Å; K190-Q194 PolarHBondContact O-N 3.34Å
191A86Confident80.7Confident1 Ų178.7 Ų78.71%0.00840%0.396CS..Hα-helixtrans-64.1-40.7178.200000111.7Y155 F170 T187 K188Y155-A191 HydrophobicContact CD1-CB 4.16Å; Y155-A191 HydrophobicContact CD2-CB 3.74Å; Y155-A191 HydrophobicContact CE2-CB 4.24Å; Y155-A191 HydrophobicContact CG-CB 3.71Å; F170-A191 HydrophobicContact CD2-CB 4.5Å; T187-A191 PolarHBondContact O-N 3Å; K188-A191 PolarHBondContact O-N 2.82Å
192D86.4Confident82.8Confident84 Ų8476.8 Ų76.845%0.44938%0.382SS..Hα-helixtrans-66.9-42.2176-171.251.5000112.2Y155 K188 E189 K190 Q194 K195Y155-D192 HydrophobicContact CE1-CB 4.22Å; K188-D192 WeakPolarHBondContact O-CB 3.09Å; K188-D192 PolarHBondContact O-N 3.49Å; E189-D192 PolarHBondContact O-N 3.19Å; K190-D192 VanDerWaalsContact C-N 3.35Å; D192-Q194 PolarHBondContact O-N 3.42Å; D192-K195 WeakPolarHBondContact O-CG 3.25Å; D192-K195 PolarHBondContact O-N 2.86Å
193H85.4Confident84.7Confident154 Ų15474 Ų7471%0.71336%0.362SS*.Hα-helixtrans-66.6-35.3178.8-77.9-54.5000113.8E189 K190E189-H193 WeakPolarHBondContact O-CB 3.49Å; E189-H193 PolarHBondContact O-CD2 3.4Å; E189-H193 VanDerWaalsContact O-CG 3.29Å; E189-H193 PolarHBondContact O-N 3.2Å; K190-H193 PolarHBondContact O-N 3.44Å
194Q79.3Confident86.4Confident92 Ų9268.2 Ų68.243%0.4333%0.331SS..Hα-helixtrans-74.7-21.9-177.9-76.1-92.5-300113.3C175 K190 D192 V196C175-Q194 PolarHBondContact O-NE2 3.39Å; K190-Q194 WeakPolarHBondContact O-CB 3.28Å; K190-Q194 VanDerWaalsContact O-CG 3.29Å; K190-Q194 WeakPolarHBondContact O-CG 3.46Å; K190-Q194 PolarHBondContact O-N 3.34Å; D192-Q194 PolarHBondContact O-N 3.42Å; Q194-V196 VanDerWaalsContact C-N 3.27Å; Q194-V196 HydrophobicContact CB-CG2 4.14Å; Q194-V196 PolarHBondContact O-N 2.98Å
195K78.4Confident87.7Confident174 Ų17469.6 Ų69.676%0.75733%0.333SS*.THydrogen-bonded Turntrans42.950.3-180-66.5-169.7176.8-175.70113.6D192 E197D192-K195 WeakPolarHBondContact O-CG 3.25Å; D192-K195 PolarHBondContact O-N 2.86Å; K195-E197 PolarHBondContact O-N 3.2Å
196V86.4Confident88.2Confident33 Ų3367.6 Ų67.620%0.232%0.319CS..PPolyproline II helixtrans-67.2131.1174.3-176.20000109.1C150 C174 Q194C150-V196 HydrophobicContact CB-CB 4.03Å; C150-V196 HydrophobicContact CB-CG1 3.74Å; C174-V196 WeakPolarHBondContact O-CG2 3.31Å; Q194-V196 VanDerWaalsContact C-N 3.27Å; Q194-V196 HydrophobicContact CB-CG2 4.14Å; Q194-V196 PolarHBondContact O-N 2.98Å
197E91.1Very high88.3Confident115 Ų11570.8 Ų70.854%0.53734%0.335SS..PPolyproline II helixtrans-65.4149.2179.2-73.2-68.1168.400112.3C149 C150 K195C149-E197 WeakPolarHBondContact CA-O 3.42Å; C149-E197 WeakPolarHBondContact CB-O 3.39Å; C150-E197 PolarHBondContact N-O 3.15Å; K195-E197 PolarHBondContact O-N 3.2Å
198G93.2Very high88.4Confident1 Ų176.7 Ų76.71%0.0135%0.352CS..PPolyproline II helixtrans-66.4146.3174.300000112.5F152 T153 F200 Q201 Q202F152-G198 CarbonylContact O-C 3.51Å; T153-G198 WeakPolarHBondContact O-CA 3.47Å; T153-G198 PolarHBondContact O-N 3.34Å; G198-F200 PolarHBondContact O-N 2.87Å; G198-Q201 PolarHBondContact O-N 2.89Å; G198-Q202 PolarHBondContact O-N 3.18Å
199C93.9Very high88.7Confident6 Ų675.6 Ų75.64%0.04135%0.354CS..Hα-helixtrans-63-28.7-178-66.20000113.9W140 L147 C149 G151 F152 L203W140-C199 HydrophobicContact CZ3-CB 4.35Å; L147-C199 HydrophobicContact CD1-CB 4.48Å; C149-C199 VanDerWaalsContact CB-CA 3.47Å; C149-C199 HydrophobicContact CB-CB 3.84Å; C149-C199 WeakPolarHBondContact CB-SG 2.96Å; C149-C199 WeakPolarHBondContact SG-CA 3.14Å; C149-C199 WeakPolarHBondContact SG-CB 3.25Å; C149-C199 CovalentContact SG-SG 2.02Å; C149-C199 PolarHBondContact SG-SG 3.36Å; G151-C199 WeakPolarHBondContact O-CB 3.18Å; G151-C199 PolarHBondContact O-N 3.45Å; G151-C199 PolarHBondContact O-SG 3.25Å; F152-C199 PolarHBondContact O-N 3.27Å; C199-L203 VanDerWaalsContact O-CB 3.23Å; C199-L203 WeakPolarHBondContact O-CB 3Å; C199-L203 PolarHBondContact O-N 2.69Å
200F91.8Very high89Confident20 Ų2073.8 Ų73.89%0.08835%0.349CS..Hα-helixtrans-67.7-44.2176-176-100.7000112.2E115 L118 F152 G198 L203 L204E115-F200 HydrophobicContact CB-CD1 4Å; E115-F200 HydrophobicContact CB-CE1 3.39Å; E115-F200 HydrophobicContact CB-CZ 3.93Å; E115-F200 HydrophobicContact CG-CD1 3.56Å; E115-F200 HydrophobicContact CG-CE1 3.51Å; E115-F200 HydrophobicContact CG-CG 4.47Å; E115-F200 HydrophobicContact CG-CZ 4.39Å; L118-F200 HydrophobicContact CD1-CD2 4.23Å; L118-F200 HydrophobicContact CD1-CE2 3.63Å; L118-F200 HydrophobicContact CD1-CZ 4.42Å; F152-F200 HydrophobicContact CD2-CB 4.24Å; F152-F200 HydrophobicContact CE1-CB 4.08Å; F152-F200 HydrophobicContact CE1-CG 4.27Å; F152-F200 HydrophobicContact CE2-CB 3.8Å; F152-F200 AromaticContact CE2-CD2 3.85Å; F152-F200 HydrophobicContact CE2-CD2 3.85Å; F152-F200 HydrophobicContact CE2-CG 4.08Å; F152-F200 HydrophobicContact CZ-CB 3.7Å; F152-F200 HydrophobicContact CZ-CD1 4.49Å; F152-F200 AromaticContact CZ-CD2 3.62Å; F152-F200 HydrophobicContact CZ-CD2 3.62Å; F152-F200 HydrophobicContact CZ-CE2 4.4Å; F152-F200 AromaticContact CZ-CG 3.67Å; F152-F200 HydrophobicContact CZ-CG 3.67Å; F152-F200 WeakPolarHBondContact O-CB 3.24Å; F152-F200 PolarHBondContact O-N 3.46Å; F152-F200 VanDerWaalsContact O-N 3.09Å; G198-F200 PolarHBondContact O-N 2.87Å; F200-L203 PolarHBondContact O-N 3.01Å; F200-L204 HydrophobicContact CD1-CD1 4.08Å; F200-L204 HydrophobicContact CE1-CD1 3.47Å; F200-L204 VanDerWaalsContact CE1-CD1 3.47Å; F200-L204 HydrophobicContact CE1-CG 4.1Å; F200-L204 HydrophobicContact CZ-CD1 3.95Å; F200-L204 HydrophobicContact CZ-CD2 4.47Å; F200-L204 HydrophobicContact CZ-CG 4.24Å; F200-L204 WeakPolarHBondContact O-CG 2.92Å; F200-L204 PolarHBondContact O-N 3.44Å
201Q91.8Very high89.2Confident67 Ų6773 Ų7331%0.31336%0.355SS..Hα-helixtrans-66.6-41.9177.7-67.6-58.5-31.100111.3E115 G198 L203 L204 Y205E115-Q201 PolarHBondContact OE1-NE2 2.73Å; E115-Q201 PolarHBondContact OE2-NE2 3.47Å; G198-Q201 PolarHBondContact O-N 2.89Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.48Å; Q201-L204 PolarHBondContact O-N 3.5Å; Q201-Y205 WeakPolarHBondContact O-CB 3.24Å; Q201-Y205 PolarHBondContact O-N 2.97Å
202Q93Very high89.6Confident43 Ų4379.2 Ų79.220%0.20139%0.393CS..Hα-helixtrans-63.6-40.3176.8-168.954.63600112L147 C149 G198 L204 Y205 D206L147-Q202 HydrophobicContact CB-CG 4.41Å; L147-Q202 WeakPolarHBondContact O-CG 3.31Å; C149-Q202 HydrophobicContact CB-CB 3.99Å; C149-Q202 HydrophobicContact CB-CG 4.26Å; G198-Q202 PolarHBondContact O-N 3.18Å; Q202-L204 PolarHBondContact O-N 3.34Å; Q202-Y205 WeakPolarHBondContact O-CB 3.35Å; Q202-Y205 PolarHBondContact O-N 3.23Å; Q202-D206 PolarHBondContact NE2-OD1 3.49Å; Q202-D206 PolarHBondContact O-N 2.79Å
203L91.1Very high89.9Confident74 Ų7479.6 Ų79.639%0.38740%0.398SS..Hα-helixtrans-60.7-44.6172.717864000112.1L147 C199 F200 Q201 Y205 D206 I207L147-L203 HydrophobicContact CD1-CB 4.39Å; C199-L203 VanDerWaalsContact O-CB 3.23Å; C199-L203 WeakPolarHBondContact O-CB 3Å; C199-L203 PolarHBondContact O-N 2.69Å; F200-L203 PolarHBondContact O-N 3.01Å; Q201-L203 VanDerWaalsContact C-N 3.35Å; Q201-L203 PolarHBondContact O-N 3.48Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.32Å; L203-D206 PolarHBondContact O-N 3.04Å; L203-I207 HydrophobicContact CD1-CD1 4.14Å; L203-I207 HydrophobicContact CD1-CG1 4.39Å; L203-I207 HydrophobicContact CG-CD1 3.98Å; L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.37Å; L203-I207 PolarHBondContact O-N 3.42Å
204L89.6Confident90.1Very high27 Ų2775.5 Ų75.514%0.14138%0.384CS..Hα-helixtrans-63.7-39.1176.1-73.1-178.7000112.1F200 Q201 Q202 I207 R208F200-L204 HydrophobicContact CD1-CD1 4.08Å; F200-L204 HydrophobicContact CE1-CD1 3.47Å; F200-L204 VanDerWaalsContact CE1-CD1 3.47Å; F200-L204 HydrophobicContact CE1-CG 4.1Å; F200-L204 HydrophobicContact CZ-CD1 3.95Å; F200-L204 HydrophobicContact CZ-CD2 4.47Å; F200-L204 HydrophobicContact CZ-CG 4.24Å; F200-L204 WeakPolarHBondContact O-CG 2.92Å; F200-L204 PolarHBondContact O-N 3.44Å; Q201-L204 PolarHBondContact O-N 3.5Å; Q202-L204 PolarHBondContact O-N 3.34Å; L204-I207 PolarHBondContact O-N 2.84Å; L204-R208 WeakPolarHBondContact O-CB 3.28Å; L204-R208 VanDerWaalsContact O-CG 3.28Å; L204-R208 WeakPolarHBondContact O-CG 3.38Å; L204-R208 PolarHBondContact O-N 3.35Å
205Y91.7Very high90.6Very high139 Ų13973 Ų7355%0.54538%0.383SS..Hα-helixtrans-60.9-46174.4175.6-93000111.2Q201 Q202 L203 R208 T209Q201-Y205 WeakPolarHBondContact O-CB 3.24Å; Q201-Y205 PolarHBondContact O-N 2.97Å; Q202-Y205 WeakPolarHBondContact O-CB 3.35Å; Q202-Y205 PolarHBondContact O-N 3.23Å; L203-Y205 VanDerWaalsContact C-N 3.32Å; L203-Y205 PolarHBondContact O-N 3.32Å; Y205-R208 PolarHBondContact O-N 2.72Å; Y205-T209 WeakPolarHBondContact O-CB 3.28Å; Y205-T209 PolarHBondContact O-N 2.96Å; Y205-T209 PolarHBondContact O-OG1 2.77Å
206D89.8Confident91.4Very high47 Ų4766.9 Ų66.925%0.25137%0.369SS..Hα-helixtrans-66-39.9178.8-71.9-17.5000112Q202 L203 T209 N210Q202-D206 PolarHBondContact NE2-OD1 3.49Å; Q202-D206 PolarHBondContact O-N 2.79Å; L203-D206 PolarHBondContact O-N 3.04Å; D206-T209 PolarHBondContact O-N 3.02Å; D206-N210 WeakPolarHBondContact O-CB 3.44Å; D206-N210 PolarHBondContact O-N 2.65Å; D206-N210 PolarHBondContact O-ND2 3.3Å
207I88.8Confident91.7Very high72 Ų7269.6 Ų69.637%0.36939%0.386SS..Hα-helixtrans-62.8-44174.3-70.5167.9000110.9L203 L204 N210 A211L203-I207 HydrophobicContact CD1-CD1 4.14Å; L203-I207 HydrophobicContact CD1-CG1 4.39Å; L203-I207 HydrophobicContact CG-CD1 3.98Å; L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.37Å; L203-I207 PolarHBondContact O-N 3.42Å; L204-I207 PolarHBondContact O-N 2.84Å; I207-N210 CarbonylContact O-C 3.48Å; I207-N210 VanDerWaalsContact O-C 3.32Å; I207-N210 PolarHBondContact O-N 3.11Å; I207-A211 VanDerWaalsContact O-CA 3.24Å; I207-A211 WeakPolarHBondContact O-CA 3.4Å; I207-A211 PolarHBondContact O-N 2.91Å
208R89.6Confident91.7Very high166 Ų16667 Ų6763%0.62638%0.383SS*.Hα-helixtrans-66.9-40.4178.2-75.1174.9-179.8168.82.7111.8L204 Y205 N210 A211L204-R208 WeakPolarHBondContact O-CB 3.28Å; L204-R208 VanDerWaalsContact O-CG 3.28Å; L204-R208 WeakPolarHBondContact O-CG 3.38Å; L204-R208 PolarHBondContact O-N 3.35Å; Y205-R208 PolarHBondContact O-N 2.72Å; R208-N210 VanDerWaalsContact C-N 3.31Å; R208-N210 PolarHBondContact O-N 3.03Å; R208-A211 VanDerWaalsContact O-CB 3.3Å; R208-A211 WeakPolarHBondContact O-CB 3.36Å; R208-A211 PolarHBondContact O-N 3.19Å
209T93.8Very high91.8Very high84 Ų8470.1 Ų70.152%0.51541%0.41SS..Hα-helixtrans-65.2-38.4177.6-57.80000111Y205 D206Y205-T209 WeakPolarHBondContact O-CB 3.28Å; Y205-T209 PolarHBondContact O-N 2.96Å; Y205-T209 PolarHBondContact O-OG1 2.77Å; D206-T209 PolarHBondContact O-N 3.02Å
210N92.7Very high91.8Very high80 Ų8071.7 Ų71.743%0.42843%0.426SS..THydrogen-bonded Turntrans-100.827.1178.6-62.7-75.5000113D206 I207 R208 V212 T213 V214D206-N210 WeakPolarHBondContact O-CB 3.44Å; D206-N210 PolarHBondContact O-N 2.65Å; D206-N210 PolarHBondContact O-ND2 3.3Å; I207-N210 CarbonylContact O-C 3.48Å; I207-N210 VanDerWaalsContact O-C 3.32Å; I207-N210 PolarHBondContact O-N 3.11Å; R208-N210 VanDerWaalsContact C-N 3.31Å; R208-N210 PolarHBondContact O-N 3.03Å; N210-V212 PolarHBondContact O-N 2.75Å; N210-V212 VanDerWaalsContact O-N 3.1Å; N210-T213 PolarHBondContact O-N 3.02Å; N210-V214 PolarHBondContact O-N 2.79Å
211A89.9Confident91.9Very high55 Ų5574.3 Ų74.346%0.45544%0.441SS..Hα-helixtrans-58.1-32.3-172.200000113I207 R208 G215I207-A211 VanDerWaalsContact O-CA 3.24Å; I207-A211 WeakPolarHBondContact O-CA 3.4Å; I207-A211 PolarHBondContact O-N 2.91Å; R208-A211 VanDerWaalsContact O-CB 3.3Å; R208-A211 WeakPolarHBondContact O-CB 3.36Å; R208-A211 PolarHBondContact O-N 3.19Å; A211-G215 WeakPolarHBondContact O-CA 3.49Å; A211-G215 PolarHBondContact O-N 3.49Å
212V93.1Very high92.1Very high131 Ų13171.6 Ų71.679%0.79443%0.43SS*.Hα-helixtrans-64.1-45.9176.1178.20000111.2N210 G216N210-V212 PolarHBondContact O-N 2.75Å; N210-V212 VanDerWaalsContact O-N 3.1Å; V212-G216 PolarHBondContact O-N 3.15Å
213T92.8Very high92.2Very high91 Ų9171.3 Ų71.356%0.55844%0.439SS*.Hα-helixtrans-67.1-48.9-179.9-53.70000110.8N210 G216 V217N210-T213 PolarHBondContact O-N 3.02Å; T213-G216 PolarHBondContact O-N 2.84Å; T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 2.87Å
214V90.1Very high92.4Very high69 Ų6973.8 Ų73.842%0.41845%0.452SS..Hα-helixtrans-63.4-46.4-179.8178.30000110.7N210 G216 V217 A218N210-V214 PolarHBondContact O-N 2.79Å; V214-G216 VanDerWaalsContact C-N 3.31Å; V214-G216 PolarHBondContact O-N 2.9Å; V214-V217 PolarHBondContact O-N 2.92Å; V214-A218 PolarHBondContact O-N 3.13Å
215G91.4Very high92.6Very high40 Ų4073.7 Ų73.741%0.41245%0.451SS..Hα-helixtrans-62.3-37.9175.800000112.6A211 A218 A219A211-G215 WeakPolarHBondContact O-CA 3.49Å; A211-G215 PolarHBondContact O-N 3.49Å; G215-A218 PolarHBondContact O-N 3.37Å; G215-A219 VanDerWaalsContact O-CB 3.26Å; G215-A219 WeakPolarHBondContact O-CB 3.14Å; G215-A219 PolarHBondContact O-N 3.32Å
216G94.1Very high92.8Very high45 Ų4570.8 Ų70.846%0.46444%0.444SS..Hα-helixtrans-64-43.6175.500000113V212 T213 V214 G220V212-G216 PolarHBondContact O-N 3.15Å; T213-G216 PolarHBondContact O-N 2.84Å; V214-G216 VanDerWaalsContact C-N 3.31Å; V214-G216 PolarHBondContact O-N 2.9Å; G216-G220 PolarHBondContact O-N 3.38Å
217V93.5Very high93.1Very high90 Ų9070.7 Ų70.755%0.54545%0.45SS..Hα-helixtrans-62.5-48174.6173.50000110.6T213 V214 A219 G220 I221T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 2.87Å; V214-V217 PolarHBondContact O-N 2.92Å; V217-A219 PolarHBondContact O-N 3.27Å; V217-G220 PolarHBondContact O-N 3.12Å; V217-I221 HydrophobicContact CG1-CD1 4.05Å; V217-I221 WeakPolarHBondContact O-CG1 3.25Å; V217-I221 PolarHBondContact O-N 3.38Å
218A91.3Very high93.3Very high59 Ų5968.8 Ų68.849%0.48845%0.445SS..Hα-helixtrans-61.5-44.3178.800000112.4V214 G215 G220 I221 G222V214-A218 PolarHBondContact O-N 3.13Å; G215-A218 PolarHBondContact O-N 3.37Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 2.85Å; A218-I221 PolarHBondContact O-N 3.38Å; A218-G222 PolarHBondContact O-N 3.23Å
219A93.6Very high93.6Very high68 Ų6861.4 Ų61.456%0.56242%0.418SS*.Hα-helixtrans-64.1-35.8175.700000112.2G215 V217 G223G215-A219 VanDerWaalsContact O-CB 3.26Å; G215-A219 WeakPolarHBondContact O-CB 3.14Å; G215-A219 PolarHBondContact O-N 3.32Å; V217-A219 PolarHBondContact O-N 3.27Å; A219-G223 PolarHBondContact O-N 3.25Å
220G95.6Very high93.7Very high38 Ų3863 Ų6339%0.39242%0.422SS..Hα-helixtrans-63.4-45.3174.500000112.5G216 V217 A218 G223 L224G216-G220 PolarHBondContact O-N 3.38Å; V217-G220 PolarHBondContact O-N 3.12Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 2.85Å; G220-G223 PolarHBondContact O-N 2.92Å; G220-L224 WeakPolarHBondContact O-CG 2.96Å; G220-L224 PolarHBondContact O-N 2.7Å
221I93.5Very high93.7Very high76 Ų7661.1 Ų61.139%0.3941%0.413SS..Hα-helixtrans-60.2-54.6175.8-66.2166.4000109.9V217 A218 G223 L224 E225V217-I221 HydrophobicContact CG1-CD1 4.05Å; V217-I221 WeakPolarHBondContact O-CG1 3.25Å; V217-I221 PolarHBondContact O-N 3.38Å; A218-I221 PolarHBondContact O-N 3.38Å; I221-G223 VanDerWaalsContact C-N 3.26Å; I221-G223 PolarHBondContact O-N 3.36Å; I221-L224 WeakPolarHBondContact O-CB 2.74Å; I221-L224 PolarHBondContact O-N 2.64Å; I221-E225 PolarHBondContact O-N 3.42Å
222G95.4Very high93.9Very high9 Ų958.5 Ų58.59%0.09339%0.392CS..Hα-helixtrans-60.4-34.9178.800000113.3A218 E225 L226A218-G222 PolarHBondContact O-N 3.23Å; G222-E225 PolarHBondContact O-N 3.04Å; G222-L226 WeakPolarHBondContact O-CB 3.27Å; G222-L226 VanDerWaalsContact O-CG 3.26Å; G222-L226 WeakPolarHBondContact O-CG 3.43Å; G222-L226 PolarHBondContact O-N 3.42Å
223G96.1Very high94Very high37 Ų3756.2 Ų56.238%0.38137%0.373SS..Hα-helixtrans-64.5-41.1173.700000113.2A219 G220 I221 A227A219-G223 PolarHBondContact O-N 3.25Å; G220-G223 PolarHBondContact O-N 2.92Å; I221-G223 VanDerWaalsContact C-N 3.26Å; I221-G223 PolarHBondContact O-N 3.36Å; G223-A227 WeakPolarHBondContact O-CB 3.3Å; G223-A227 PolarHBondContact O-N 3.33Å
224L93.4Very high94Very high126 Ų12655.9 Ų55.966%0.6636%0.363SS*.Hα-helixtrans-66.4-40.8175.4-73.8171.6000111.8G220 I221 A227 A228G220-L224 WeakPolarHBondContact O-CG 2.96Å; G220-L224 PolarHBondContact O-N 2.7Å; I221-L224 WeakPolarHBondContact O-CB 2.74Å; I221-L224 PolarHBondContact O-N 2.64Å; L224-A227 PolarHBondContact O-N 3.22Å; L224-A228 WeakPolarHBondContact O-CB 3.1Å; L224-A228 PolarHBondContact O-N 3.41Å
225E94.8Very high94Very high25 Ų2552.8 Ų52.812%0.11734%0.343CS..Hα-helixtrans-62.7-46.6175.3-67.1-164.814800112I96 F97 I221 G222 A227 A228 M229I96-E225 WeakPolarHBondContact CG2-OE1 3.23Å; F97-E225 WeakPolarHBondContact CA-OE2 3.47Å; F97-E225 WeakPolarHBondContact CB-OE2 3.22Å; I221-E225 PolarHBondContact O-N 3.42Å; G222-E225 PolarHBondContact O-N 3.04Å; E225-A227 VanDerWaalsContact C-N 3.34Å; E225-A227 PolarHBondContact O-N 2.87Å; E225-A228 PolarHBondContact O-N 3.15Å; E225-M229 HydrophobicContact CB-CE 4.49Å; E225-M229 WeakPolarHBondContact O-CG 3.44Å; E225-M229 PolarHBondContact O-N 2.47Å
226L96.1Very high94.1Very high78 Ų7854.8 Ų54.841%0.40834%0.339SS..Hα-helixtrans-59.6-44.4175.3-73.2169.4000111.6F97 G222 A228 M229 I230F97-L226 HydrophobicContact CE1-CD2 4.41Å; F97-L226 HydrophobicContact CE2-CD1 4.11Å; F97-L226 HydrophobicContact CE2-CD2 4.27Å; F97-L226 HydrophobicContact CE2-CG 3.98Å; F97-L226 HydrophobicContact CZ-CD1 4.14Å; F97-L226 HydrophobicContact CZ-CD2 4.12Å; F97-L226 HydrophobicContact CZ-CG 4.22Å; G222-L226 WeakPolarHBondContact O-CB 3.27Å; G222-L226 VanDerWaalsContact O-CG 3.26Å; G222-L226 WeakPolarHBondContact O-CG 3.43Å; G222-L226 PolarHBondContact O-N 3.42Å; L226-A228 PolarHBondContact O-N 3.32Å; L226-M229 HydrophobicContact CD2-CE 3.85Å; L226-M229 HydrophobicContact CG-CE 4.38Å; L226-M229 PolarHBondContact O-N 3.4Å; L226-I230 WeakPolarHBondContact O-CD1 3.26Å; L226-I230 VanDerWaalsContact O-CG1 3.24Å; L226-I230 WeakPolarHBondContact O-CG1 3.26Å; L226-I230 PolarHBondContact O-N 3.22Å
227A94.9Very high93.9Very high46 Ų4656.7 Ų56.738%0.3835%0.345SS..Hα-helixtrans-61.2-43.8175.900000111.8G223 L224 E225 M229 I230 V231G223-A227 WeakPolarHBondContact O-CB 3.3Å; G223-A227 PolarHBondContact O-N 3.33Å; L224-A227 PolarHBondContact O-N 3.22Å; E225-A227 VanDerWaalsContact C-N 3.34Å; E225-A227 PolarHBondContact O-N 2.87Å; A227-M229 PolarHBondContact O-N 3.15Å; A227-I230 PolarHBondContact O-N 3.02Å; A227-V231 WeakPolarHBondContact O-CB 3.2Å; A227-V231 WeakPolarHBondContact O-CG2 3.43Å; A227-V231 PolarHBondContact O-N 3.49Å
228A94.1Very high93.7Very high31 Ų3156.2 Ų56.226%0.25634%0.339SS..Hα-helixtrans-63.2-41.1177.300000112.1F89 L93 L224 E225 L226 V231 S232F89-A228 HydrophobicContact CE1-CB 4.38Å; F89-A228 HydrophobicContact CZ-CB 4.42Å; L93-A228 HydrophobicContact CD1-CB 3.65Å; L224-A228 WeakPolarHBondContact O-CB 3.1Å; L224-A228 PolarHBondContact O-N 3.41Å; E225-A228 PolarHBondContact O-N 3.15Å; L226-A228 PolarHBondContact O-N 3.32Å; A228-V231 PolarHBondContact O-N 3.26Å; A228-S232 WeakPolarHBondContact O-CB 3.12Å; A228-S232 PolarHBondContact O-N 3.43Å
229M95.8Very high93.4Very high11 Ų1154 Ų545%0.05432%0.319CS..Hα-helixtrans-62.8-45.3174.2-77.5-169.3-80.500112.1F90 L93 L94 F97 E225 L226 A227 S232 M233F90-M229 HydrophobicContact CD2-CB 3.8Å; F90-M229 HydrophobicContact CD2-CG 3.93Å; F90-M229 HydrophobicContact CE2-CB 3.75Å; F90-M229 HydrophobicContact CE2-CG 4.08Å; F90-M229 HydrophobicContact CE2-SD 4.24Å; L93-M229 HydrophobicContact CB-CG 3.77Å; L93-M229 HydrophobicContact CB-SD 4.21Å; L93-M229 HydrophobicContact CD1-CG 4.15Å; L94-M229 HydrophobicContact CB-SD 3.94Å; L94-M229 HydrophobicContact CD1-SD 4.28Å; F97-M229 HydrophobicContact CB-CE 4.09Å; F97-M229 HydrophobicContact CG-CE 4.18Å; E225-M229 HydrophobicContact CB-CE 4.49Å; E225-M229 WeakPolarHBondContact O-CG 3.44Å; E225-M229 PolarHBondContact O-N 2.47Å; L226-M229 HydrophobicContact CD2-CE 3.85Å; L226-M229 HydrophobicContact CG-CE 4.38Å; L226-M229 PolarHBondContact O-N 3.4Å; A227-M229 PolarHBondContact O-N 3.15Å; M229-S232 PolarHBondContact O-N 2.9Å; M229-M233 PolarHBondContact O-N 3.19Å
230I95.3Very high92.1Very high117 Ų11762.5 Ų62.560%0.635%0.347SS*.Hα-helixtrans-61-46.5176.9-69.4163.9000110.7L226 A227 M233 Y234L226-I230 WeakPolarHBondContact O-CD1 3.26Å; L226-I230 VanDerWaalsContact O-CG1 3.24Å; L226-I230 WeakPolarHBondContact O-CG1 3.26Å; L226-I230 PolarHBondContact O-N 3.22Å; A227-I230 PolarHBondContact O-N 3.02Å; I230-M233 PolarHBondContact O-N 3.31Å; I230-Y234 WeakPolarHBondContact O-CB 2.87Å; I230-Y234 PolarHBondContact O-N 2.85Å
231V93.9Very high92Very high41 Ų4163.7 Ų63.725%0.24835%0.345CS..Hα-helixtrans-63.9-42.2178.6168.90000111.3I7 M11 A227 A228 M233 Y234 L235I7-V231 HydrophobicContact CG2-CB 4.46Å; I7-V231 HydrophobicContact CG2-CG1 3.56Å; I7-V231 HydrophobicContact CG2-CG2 4.24Å; M11-V231 HydrophobicContact CB-CG1 4.03Å; M11-V231 HydrophobicContact CG-CG1 4.25Å; M11-V231 HydrophobicContact SD-CG1 3.83Å; A227-V231 WeakPolarHBondContact O-CB 3.2Å; A227-V231 WeakPolarHBondContact O-CG2 3.43Å; A227-V231 PolarHBondContact O-N 3.49Å; A228-V231 PolarHBondContact O-N 3.26Å; V231-M233 PolarHBondContact O-N 2.82Å; V231-Y234 PolarHBondContact O-N 2.74Å; V231-L235 HydrophobicContact CG1-CD1 4.27Å; V231-L235 HydrophobicContact CG1-CG 4.49Å; V231-L235 WeakPolarHBondContact O-CG 3.21Å; V231-L235 PolarHBondContact O-N 2.85Å
232S93.7Very high91.9Very high1 Ų163.1 Ų63.11%0.00734%0.342CS..Hα-helixtrans-59.3-47.1176.3-170.80000111.4L86 A228 M229 L235 Y236L86-S232 VanDerWaalsContact CD2-O 3.31Å; L86-S232 WeakPolarHBondContact CD2-O 3.03Å; L86-S232 PolarHBondContact O-OG 3.44Å; A228-S232 WeakPolarHBondContact O-CB 3.12Å; A228-S232 PolarHBondContact O-N 3.43Å; M229-S232 PolarHBondContact O-N 2.9Å; S232-L235 PolarHBondContact O-N 2.99Å; S232-Y236 WeakPolarHBondContact O-CB 3.41Å; S232-Y236 PolarHBondContact O-N 2.87Å
233M94.1Very high91.7Very high83 Ų8366.1 Ų66.141%0.40936%0.356SS..Hα-helixtrans-66.3-40.2178.4-170.362.1179.600112.2M229 I230 V231 L235 Y236 C237M229-M233 PolarHBondContact O-N 3.19Å; I230-M233 PolarHBondContact O-N 3.31Å; V231-M233 PolarHBondContact O-N 2.82Å; M233-L235 PolarHBondContact O-N 3.47Å; M233-Y236 HydrophobicContact CE-CD1 4.49Å; M233-Y236 WeakPolarHBondContact O-CB 3.41Å; M233-Y236 PolarHBondContact O-N 3.3Å; M233-Y236 HydrophobicContact SD-CD1 4.2Å; M233-C237 PolarHBondContact O-N 3.5Å; M233-C237 PolarHBondContact O-SG 3.39Å; M233-C237 VanDerWaalsContact O-SG 3.4Å
234Y93.1Very high91.4Very high84 Ų8467.8 Ų67.833%0.32936%0.355SS..Hα-helixtrans-59-47.6174.9174.1-96.3000111.5F4 I7 I230 V231 C237 N238F4-Y234 HydrophobicContact CD2-CE1 4.1Å; I7-Y234 HydrophobicContact CD1-CD1 4.05Å; I7-Y234 HydrophobicContact CD1-CE1 3.66Å; I7-Y234 HydrophobicContact CG2-CD1 4.2Å; I230-Y234 WeakPolarHBondContact O-CB 2.87Å; I230-Y234 PolarHBondContact O-N 2.85Å; V231-Y234 PolarHBondContact O-N 2.74Å; Y234-C237 PolarHBondContact O-N 3.2Å; Y234-N238 VanDerWaalsContact CE2-ND2 3.31Å; Y234-N238 WeakPolarHBondContact CE2-ND2 3.07Å; Y234-N238 PolarHBondContact O-N 3.12Å; Y234-N238 PolarHBondContact O-ND2 3.21Å
235L91.1Very high91.3Very high3 Ų364.1 Ų64.12%0.01634%0.335CS..Hα-helixtrans-63.4-46176.3-71178.8000110.7F4 I7 K8 M11 L86 V231 S232 M233 C237 N238 L239F4-L235 HydrophobicContact CD2-CD2 3.91Å; F4-L235 HydrophobicContact CE2-CD2 3.46Å; F4-L235 VanDerWaalsContact CE2-CD2 3.46Å; F4-L235 HydrophobicContact CZ-CD2 3.99Å; I7-L235 HydrophobicContact CG2-CD2 4.42Å; K8-L235 HydrophobicContact CB-CD2 4.12Å; M11-L235 HydrophobicContact SD-CD1 3.37Å; M11-L235 WeakPolarHBondContact SD-CD1 3.21Å; L86-L235 HydrophobicContact CD2-CB 3.38Å; L86-L235 HydrophobicContact CD2-CD1 4.15Å; L86-L235 HydrophobicContact CD2-CG 4.42Å; V231-L235 HydrophobicContact CG1-CD1 4.27Å; V231-L235 HydrophobicContact CG1-CG 4.49Å; V231-L235 WeakPolarHBondContact O-CG 3.21Å; V231-L235 PolarHBondContact O-N 2.85Å; S232-L235 PolarHBondContact O-N 2.99Å; M233-L235 PolarHBondContact O-N 3.47Å; L235-C237 VanDerWaalsContact C-N 3.3Å; L235-C237 PolarHBondContact O-N 2.86Å; L235-N238 PolarHBondContact O-N 3.5Å; L235-L239 WeakPolarHBondContact O-CG 3.08Å; L235-L239 PolarHBondContact O-N 2.59Å
236Y91.8Very high91.1Very high82 Ų8266.7 Ų66.732%0.32235%0.35SS..Hα-helixtrans-51.8-45.8176.8175.1-90.1000112.9K83 M87 S232 M233K83-Y236 HydrophobicContact CB-CD2 3.84Å; K83-Y236 HydrophobicContact CB-CE2 3.68Å; K83-Y236 HydrophobicContact CD-CE2 4.36Å; K83-Y236 HydrophobicContact CG-CD2 3.93Å; K83-Y236 HydrophobicContact CG-CE2 3.98Å; M87-Y236 HydrophobicContact CG-CD2 3.54Å; M87-Y236 HydrophobicContact CG-CE2 3.39Å; M87-Y236 HydrophobicContact CG-CG 4.38Å; M87-Y236 HydrophobicContact SD-CD1 4.41Å; M87-Y236 HydrophobicContact SD-CD2 3.85Å; M87-Y236 HydrophobicContact SD-CE1 4.48Å; M87-Y236 HydrophobicContact SD-CE2 3.89Å; M87-Y236 HydrophobicContact SD-CG 4.12Å; S232-Y236 WeakPolarHBondContact O-CB 3.41Å; S232-Y236 PolarHBondContact O-N 2.87Å; M233-Y236 HydrophobicContact CE-CD1 4.49Å; M233-Y236 WeakPolarHBondContact O-CB 3.41Å; M233-Y236 PolarHBondContact O-N 3.3Å; M233-Y236 HydrophobicContact SD-CD1 4.2Å
237C90.7Very high90.7Very high86 Ų8665.9 Ų65.958%0.58135%0.346SS*.Hα-helixtrans-71.2-26.8179.9-68.50000114.2M233 Y234 L235M233-C237 PolarHBondContact O-N 3.5Å; M233-C237 PolarHBondContact O-SG 3.39Å; M233-C237 VanDerWaalsContact O-SG 3.4Å; Y234-C237 PolarHBondContact O-N 3.2Å; L235-C237 VanDerWaalsContact C-N 3.3Å; L235-C237 PolarHBondContact O-N 2.86Å
238N88.6Confident90.4Very high79 Ų7967.5 Ų67.542%0.42234%0.343SS..Hα-helixtrans-97.4-9.9-177.1-75-87.1000113.4F4 Y234 L235 Q240F4-N238 HydrophobicContact CD2-CB 3.69Å; F4-N238 HydrophobicContact CE2-CB 3.52Å; Y234-N238 VanDerWaalsContact CE2-ND2 3.31Å; Y234-N238 WeakPolarHBondContact CE2-ND2 3.07Å; Y234-N238 PolarHBondContact O-N 3.12Å; Y234-N238 PolarHBondContact O-ND2 3.21Å; L235-N238 PolarHBondContact O-N 3.5Å; N238-Q240 PolarHBondContact O-N 3.44Å
239L86.8Confident90.1Very high13 Ų1370.5 Ų70.57%0.06835%0.351CS..  trans-69.1124.1169.5-75.4170.6000109.6F4 E81 K83 L86 L235F4-L239 HydrophobicContact CZ-CD2 4.07Å; E81-L239 HydrophobicContact CB-CD1 4.47Å; E81-L239 HydrophobicContact CB-CD2 3.42Å; E81-L239 VanDerWaalsContact CB-CD2 3.42Å; E81-L239 HydrophobicContact CG-CD2 3.53Å; K83-L239 WeakPolarHBondContact CE-O 2.75Å; K83-L239 HydrophobicContact CG-CB 4.27Å; K83-L239 HydrophobicContact CG-CD1 4.36Å; K83-L239 PolarHBondContact NZ-O 3.03Å; L86-L239 HydrophobicContact CD1-CD1 3.84Å; L86-L239 HydrophobicContact CD2-CD1 4.42Å; L235-L239 WeakPolarHBondContact O-CG 3.08Å; L235-L239 PolarHBondContact O-N 2.59Å
240Q66.1Low89.6Confident246 Ų24675.9 Ų75.9100%1.1538%0.377SS*.  trans-73.30175-71.9-177-21.700109.7K83 N238K83-Q240 PolarHBondContact NZ-OXT 3.03Å; N238-Q240 PolarHBondContact O-N 3.44Å

Retrieved 240 of 240 residues in 130.8 ms (Link to these results)

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