A0A077ZKE7_TRITR Loading...

Polyprenyl synt domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKE7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 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
1M86.5Confident93.8Very high56 Ų5670.2 Ų70.228%0.27636%0.357SS..  0-63.30-172.6179.4-75.600110.5Q3 D4 K43 L45 L314 I318M1-Q3 PolarHBondContact O-N 3.44Å; M1-Q3 VanDerWaalsContact O-N 3.14Å; M1-D4 PolarHBondContact O-N 3.3Å; M1-K43 HydrophobicContact CE-CD 4.32Å; M1-L45 HydrophobicContact SD-CD2 4.14Å; M1-L314 HydrophobicContact SD-CD1 4.26Å; M1-I318 HydrophobicContact CE-CG2 3.78Å; M1-I318 HydrophobicContact SD-CG2 4.21Å
2W92.5Very high94Very high46 Ų4664.8 Ų64.817%0.17433%0.329CS..G310 helixtrans-69.2-13-174-55.3127.9000116.3D4 Y5 L8 A9 L12 K43 L45 A48 L314W2-D4 PolarHBondContact O-N 2.68Å; W2-Y5 HydrophobicContact CE3-CD2 4.18Å; W2-Y5 HydrophobicContact CZ3-CD2 4.46Å; W2-Y5 CarbonylContact O-C 3.31Å; W2-Y5 PolarHBondContact O-N 3.05Å; W2-L8 HydrophobicContact CE3-CD2 4.18Å; W2-L8 HydrophobicContact CZ3-CD2 3.8Å; W2-A9 HydrophobicContact CB-CB 3.95Å; W2-L12 HydrophobicContact CD2-CD1 3.66Å; W2-L12 HydrophobicContact CE3-CD1 4.1Å; W2-L12 HydrophobicContact CG-CD1 3.98Å; W2-L12 HydrophobicContact CH2-CD1 4.46Å; W2-L12 HydrophobicContact CZ2-CD1 4.02Å; W2-L12 HydrophobicContact CZ3-CD1 4.49Å; W2-K43 WeakPolarHBondContact CZ2-O 3.45Å; W2-K43 PolarHBondContact NE1-O 3.22Å; W2-L45 HydrophobicContact CH2-CD2 3.99Å; W2-L45 HydrophobicContact CZ2-CD2 3.99Å; W2-A48 HydrophobicContact CH2-CB 3.31Å; W2-A48 HydrophobicContact CZ2-CB 3.83Å; W2-A48 HydrophobicContact CZ3-CB 3.93Å; W2-L314 HydrophobicContact CH2-CD1 3.86Å; W2-L314 HydrophobicContact CH2-CD2 4.15Å; W2-L314 HydrophobicContact CZ3-CD1 3.79Å; W2-L314 HydrophobicContact CZ3-CD2 4.19Å
3Q89.8Confident94.2Very high181 Ų18166.9 Ų66.985%0.84635%0.348SS*.G310 helixtrans-56.3-29.6171.2-69.1172.3-8.600112.6M1 Y5M1-Q3 PolarHBondContact O-N 3.44Å; M1-Q3 VanDerWaalsContact O-N 3.14Å; Q3-Y5 PolarHBondContact O-N 3.14Å
4D91Very high94.4Very high88 Ų8865.8 Ų65.847%0.47135%0.345SS..G310 helixtrans-80.4-3.2178.7-49-49.3000112.8M1 W2 R313M1-D4 PolarHBondContact O-N 3.3Å; W2-D4 PolarHBondContact O-N 2.68Å; D4-R313 PolarHBondContact O-NH2 3.39Å
5Y95.1Very high94.7Very high8 Ų861.4 Ų61.43%0.03132%0.322CS..  trans-136.868.2-175.7-57.8-95.3000110.7W2 Q3 D7 L8 A9 K310 R313 L314W2-Y5 HydrophobicContact CE3-CD2 4.18Å; W2-Y5 HydrophobicContact CZ3-CD2 4.46Å; W2-Y5 CarbonylContact O-C 3.31Å; W2-Y5 PolarHBondContact O-N 3.05Å; Q3-Y5 PolarHBondContact O-N 3.14Å; Y5-D7 PolarHBondContact O-N 3.05Å; Y5-L8 PolarHBondContact O-N 2.79Å; Y5-L8 VanDerWaalsContact O-N 3.16Å; Y5-A9 WeakPolarHBondContact O-CB 3.46Å; Y5-A9 PolarHBondContact O-N 3.21Å; Y5-K310 HydrophobicContact CD1-CB 4.46Å; Y5-K310 HydrophobicContact CD1-CG 4.32Å; Y5-K310 HydrophobicContact CE1-CB 4.09Å; Y5-K310 HydrophobicContact CE1-CG 4.26Å; Y5-R313 PolarHBondContact OH-NE 2.87Å; Y5-L314 HydrophobicContact CE1-CB 4.49Å; Y5-L314 HydrophobicContact CE2-CD1 4.46Å; Y5-L314 VanDerWaalsContact OH-CA 3.32Å; Y5-L314 WeakPolarHBondContact OH-CA 3.44Å; Y5-L314 PolarHBondContact OH-N 3.46Å; Y5-L314 VanDerWaalsContact OH-N 3.09Å
6P94.4Very high94.8Very high91 Ų9160 Ų6059%0.59132%0.315SS*.Hα-helixtrans-60.6-42.8-167.322.2-33.9000114.4L8 A9 K10P6-L8 VanDerWaalsContact C-N 3.34Å; P6-L8 PolarHBondContact O-N 2.94Å; P6-A9 WeakPolarHBondContact O-CB 3.4Å; P6-A9 PolarHBondContact O-N 2.81Å; P6-K10 PolarHBondContact O-N 2.98Å
7D94.5Very high94.9Very high105 Ų10561.5 Ų61.556%0.56132%0.32SS*.Hα-helixtrans-63.6-43177.9-58.7-36.7000111.2Y5 K10 Q11Y5-D7 PolarHBondContact O-N 3.05Å; D7-K10 WeakPolarHBondContact O-CB 3.44Å; D7-K10 PolarHBondContact O-N 3.39Å; D7-Q11 WeakPolarHBondContact O-CG 3.36Å; D7-Q11 PolarHBondContact O-N 3.01Å
8L96.6Very high95Very high6 Ų659.8 Ų59.83%0.03131%0.311CS..Hα-helixtrans-66.7-39.6177.6-171.860000111.1W2 Y5 P6 K10 Q11 L12 A48 L51 L52W2-L8 HydrophobicContact CE3-CD2 4.18Å; W2-L8 HydrophobicContact CZ3-CD2 3.8Å; Y5-L8 PolarHBondContact O-N 2.79Å; Y5-L8 VanDerWaalsContact O-N 3.16Å; P6-L8 VanDerWaalsContact C-N 3.34Å; P6-L8 PolarHBondContact O-N 2.94Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 3.06Å; L8-Q11 PolarHBondContact O-N 2.87Å; L8-L12 HydrophobicContact CG-CD1 4.22Å; L8-L12 HydrophobicContact CG-CG 4.38Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 2.78Å; L8-A48 HydrophobicContact CD2-CB 4.05Å; L8-L51 HydrophobicContact CD1-CB 3.73Å; L8-L51 HydrophobicContact CD1-CD1 3.98Å; L8-L52 HydrophobicContact CD1-CG 4.39Å; L8-L52 HydrophobicContact CD2-CD1 4.05Å; L8-L52 HydrophobicContact CD2-CD2 4.26Å; L8-L52 HydrophobicContact CD2-CG 4.05Å
9A96.7Very high95.1Very high27 Ų2756.8 Ų56.822%0.22330%0.296CS..Hα-helixtrans-59.8-40.1175.700000111.7W2 Y5 P6 T13W2-A9 HydrophobicContact CB-CB 3.95Å; Y5-A9 WeakPolarHBondContact O-CB 3.46Å; Y5-A9 PolarHBondContact O-N 3.21Å; P6-A9 WeakPolarHBondContact O-CB 3.4Å; P6-A9 PolarHBondContact O-N 2.81Å; A9-T13 PolarHBondContact O-N 3.33Å; A9-T13 PolarHBondContact O-OG1 2.83Å
10K96.8Very high95.1Very high136 Ų13656.8 Ų56.859%0.59129%0.294SS*.Hα-helixtrans-63.9-47.8173.4-175.3-174.5174.3-165.80111.2P6 D7 L8 L12 T13 T14P6-K10 PolarHBondContact O-N 2.98Å; D7-K10 WeakPolarHBondContact O-CB 3.44Å; D7-K10 PolarHBondContact O-N 3.39Å; L8-K10 VanDerWaalsContact C-N 3.28Å; L8-K10 PolarHBondContact O-N 3.06Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 3.34Å; K10-T13 WeakPolarHBondContact O-CB 3.45Å; K10-T13 PolarHBondContact O-N 3.31Å; K10-T14 PolarHBondContact O-N 3.35Å; K10-T14 PolarHBondContact O-OG1 3.4Å
11Q97.7Very high95.2Very high28 Ų2858.2 Ų58.213%0.13130%0.302CS..Hα-helixtrans-61.9-39.9178.1-68.3-179.6-52.600112.3D7 L8 T13 T14 T15 L51 T66D7-Q11 WeakPolarHBondContact O-CG 3.36Å; D7-Q11 PolarHBondContact O-N 3.01Å; L8-Q11 PolarHBondContact O-N 2.87Å; Q11-T13 VanDerWaalsContact C-N 3.32Å; Q11-T13 PolarHBondContact O-N 2.97Å; Q11-T14 WeakPolarHBondContact O-CB 3.19Å; Q11-T14 PolarHBondContact O-N 3.06Å; Q11-T15 PolarHBondContact O-N 2.96Å; Q11-T15 PolarHBondContact O-OG1 3.28Å; Q11-L51 HydrophobicContact CB-CD1 3.75Å; Q11-L51 HydrophobicContact CB-CD2 4.32Å; Q11-T66 HydrophobicContact CB-CG2 4.2Å
12L97.2Very high95.6Very high5 Ų556.7 Ų56.73%0.02630%0.296CS..Hα-helixtrans-64.2-36.6175.2-72174.4000112.3W2 L8 K10 T15 L16 L44 P47 A48 L51W2-L12 HydrophobicContact CD2-CD1 3.66Å; W2-L12 HydrophobicContact CE3-CD1 4.1Å; W2-L12 HydrophobicContact CG-CD1 3.98Å; W2-L12 HydrophobicContact CH2-CD1 4.46Å; W2-L12 HydrophobicContact CZ2-CD1 4.02Å; W2-L12 HydrophobicContact CZ3-CD1 4.49Å; L8-L12 HydrophobicContact CG-CD1 4.22Å; L8-L12 HydrophobicContact CG-CG 4.38Å; L8-L12 WeakPolarHBondContact O-CB 3.31Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.4Å; L8-L12 PolarHBondContact O-N 2.78Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 3.34Å; L12-T15 WeakPolarHBondContact O-CB 3.24Å; L12-T15 PolarHBondContact O-N 2.83Å; L12-L16 PolarHBondContact O-N 2.74Å; L12-L44 HydrophobicContact CB-CD1 4.35Å; L12-L44 HydrophobicContact CD2-CB 4.06Å; L12-L44 HydrophobicContact CD2-CD1 4.49Å; L12-P47 HydrophobicContact CD2-CB 3.95Å; L12-P47 HydrophobicContact CD2-CG 3.9Å; L12-A48 HydrophobicContact CD1-CB 4.25Å; L12-A48 HydrophobicContact CD2-CB 4.21Å; L12-L51 HydrophobicContact CD2-CD1 3.94Å; L12-L51 HydrophobicContact CG-CD1 4.35Å
13T96.4Very high95.8Very high93 Ų9354.5 Ų54.557%0.57129%0.288SS*.Hα-helixtrans-63.9-44.5173-55.20000110.7A9 K10 Q11 T15 L16 Q17A9-T13 PolarHBondContact O-N 3.33Å; A9-T13 PolarHBondContact O-OG1 2.83Å; K10-T13 WeakPolarHBondContact O-CB 3.45Å; K10-T13 PolarHBondContact O-N 3.31Å; Q11-T13 VanDerWaalsContact C-N 3.32Å; Q11-T13 PolarHBondContact O-N 2.97Å; T13-T15 VanDerWaalsContact C-N 3.32Å; T13-T15 PolarHBondContact O-N 2.63Å; T13-L16 PolarHBondContact O-N 3.21Å; T13-Q17 PolarHBondContact O-N 3.36Å
14T97.3Very high96.1Very high51 Ų5151.3 Ų51.331%0.31327%0.271SS..Hα-helixtrans-60.7-41.6173.4-55.60000111.6K10 Q11 L16 Q17 L18 T66K10-T14 PolarHBondContact O-N 3.35Å; K10-T14 PolarHBondContact O-OG1 3.4Å; Q11-T14 WeakPolarHBondContact O-CB 3.19Å; Q11-T14 PolarHBondContact O-N 3.06Å; T14-L16 PolarHBondContact O-N 3.12Å; T14-Q17 PolarHBondContact O-N 2.94Å; T14-L18 HydrophobicContact CG2-CD1 4.15Å; T14-L18 WeakPolarHBondContact O-CG 3.32Å; T14-L18 PolarHBondContact O-N 3.35Å; T14-T66 HydrophobicContact CG2-CG2 4.2Å
15T97.6Very high96.2Very high0 Ų048.3 Ų48.30%026%0.255CS..Hα-helixtrans-59.4-45.8175.7-71.50000111.7Q11 L12 T13 L18 M19 P47 T66 A69 A70Q11-T15 PolarHBondContact O-N 2.96Å; Q11-T15 PolarHBondContact O-OG1 3.28Å; L12-T15 WeakPolarHBondContact O-CB 3.24Å; L12-T15 PolarHBondContact O-N 2.83Å; T13-T15 VanDerWaalsContact C-N 3.32Å; T13-T15 PolarHBondContact O-N 2.63Å; T15-L18 PolarHBondContact O-N 3.04Å; T15-M19 WeakPolarHBondContact O-CG 3.38Å; T15-M19 PolarHBondContact O-N 3.45Å; T15-M19 VanDerWaalsContact O-N 3.08Å; T15-P47 HydrophobicContact CG2-CB 4.06Å; T15-T66 PolarHBondContact OG1-O 3.47Å; T15-A69 HydrophobicContact CG2-CB 4.23Å; T15-A70 HydrophobicContact CG2-CB 3.99Å
16L96.4Very high96.2Very high39 Ų3958 Ų5820%0.20430%0.297CS..Hα-helixtrans-61.3-43.7175-75.4175.3000112.2L12 T13 T14 L18 M19 E20 I38 L44L12-L16 PolarHBondContact O-N 2.74Å; T13-L16 PolarHBondContact O-N 3.21Å; T14-L16 PolarHBondContact O-N 3.12Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 2.99Å; L16-M19 HydrophobicContact CD2-SD 4.3Å; L16-M19 WeakPolarHBondContact O-CB 3.37Å; L16-M19 PolarHBondContact O-N 2.92Å; L16-M19 VanDerWaalsContact O-N 3.16Å; L16-E20 PolarHBondContact O-N 2.96Å; L16-E20 VanDerWaalsContact O-N 3.07Å; L16-I38 HydrophobicContact CD2-CG2 4.1Å; L16-L44 HydrophobicContact CD1-CD1 3.86Å; L16-L44 HydrophobicContact CD2-CD1 4.08Å; L16-L44 HydrophobicContact CD2-CD2 4.11Å; L16-L44 HydrophobicContact CG-CD1 3.88Å
17Q96.7Very high96.3Very high85 Ų8557.7 Ų57.740%0.39729%0.29SS..Hα-helixtrans-61.1-41.1177.4-170.762.563.800111.7T13 T14 M19 E20 D21T13-Q17 PolarHBondContact O-N 3.36Å; T14-Q17 PolarHBondContact O-N 2.94Å; Q17-M19 VanDerWaalsContact C-N 3.31Å; Q17-M19 PolarHBondContact O-N 3.02Å; Q17-E20 PolarHBondContact NE2-OE2 3.4Å; Q17-E20 WeakPolarHBondContact O-CB 3.24Å; Q17-E20 PolarHBondContact O-N 3.14Å; Q17-D21 PolarHBondContact NE2-OD1 3.19Å; Q17-D21 WeakPolarHBondContact O-CB 3.5Å; Q17-D21 PolarHBondContact O-N 2.9Å
18L97Very high96.4Very high32 Ų3258.4 Ų58.417%0.16829%0.289CS..Hα-helixtrans-63.3-37.2176.1-73.3167000112T14 T15 L16 D21 V22 T66 A70T14-L18 HydrophobicContact CG2-CD1 4.15Å; T14-L18 WeakPolarHBondContact O-CG 3.32Å; T14-L18 PolarHBondContact O-N 3.35Å; T15-L18 PolarHBondContact O-N 3.04Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 2.99Å; L18-D21 PolarHBondContact O-N 2.7Å; L18-V22 WeakPolarHBondContact O-CB 3.38Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å; L18-V22 PolarHBondContact O-N 2.97Å; L18-V22 VanDerWaalsContact O-N 3.1Å; L18-T66 WeakPolarHBondContact CD1-OG1 3.48Å; L18-A70 HydrophobicContact CB-CB 4.08Å
19M97Very high96.4Very high2 Ų265.5 Ų65.51%0.0132%0.319CS..Hα-helixtrans-62.2-46173.8-64.4171.667.100110.9T15 L16 Q17 D21 V22 V23 I38 A70 E73 M74T15-M19 WeakPolarHBondContact O-CG 3.38Å; T15-M19 PolarHBondContact O-N 3.45Å; T15-M19 VanDerWaalsContact O-N 3.08Å; L16-M19 HydrophobicContact CD2-SD 4.3Å; L16-M19 WeakPolarHBondContact O-CB 3.37Å; L16-M19 PolarHBondContact O-N 2.92Å; L16-M19 VanDerWaalsContact O-N 3.16Å; Q17-M19 VanDerWaalsContact C-N 3.31Å; Q17-M19 PolarHBondContact O-N 3.02Å; M19-D21 PolarHBondContact O-N 3.32Å; M19-V22 PolarHBondContact O-N 3.01Å; M19-V23 WeakPolarHBondContact O-CG2 3.41Å; M19-V23 PolarHBondContact O-N 3.12Å; M19-V23 VanDerWaalsContact O-N 3.13Å; M19-I38 HydrophobicContact CB-CD1 4.33Å; M19-I38 HydrophobicContact CB-CG2 4.13Å; M19-I38 HydrophobicContact CE-CD1 4.3Å; M19-I38 HydrophobicContact CE-CG1 3.99Å; M19-I38 HydrophobicContact CE-CG2 3.97Å; M19-I38 HydrophobicContact SD-CG2 4.39Å; M19-A70 HydrophobicContact CG-CB 3.71Å; M19-E73 HydrophobicContact CE-CB 4.15Å; M19-E73 HydrophobicContact CE-CG 3.8Å; M19-E73 HydrophobicContact SD-CB 3.93Å; M19-E73 HydrophobicContact SD-CG 3.79Å; M19-M74 HydrophobicContact CB-CE 4.42Å; M19-M74 HydrophobicContact CB-CG 4.42Å; M19-M74 HydrophobicContact CE-CG 3.87Å; M19-M74 HydrophobicContact CG-CG 3.96Å
20E96.1Very high96.4Very high56 Ų5664.5 Ų64.526%0.26231%0.311SS..Hα-helixtrans-60.6-42.5176.1-178.9-172.5167.900112.4L16 Q17 V22 V23 K24 L35 H39L16-E20 PolarHBondContact O-N 2.96Å; L16-E20 VanDerWaalsContact O-N 3.07Å; Q17-E20 PolarHBondContact NE2-OE2 3.4Å; Q17-E20 WeakPolarHBondContact O-CB 3.24Å; Q17-E20 PolarHBondContact O-N 3.14Å; E20-V22 VanDerWaalsContact C-N 3.3Å; E20-V22 PolarHBondContact O-N 3.4Å; E20-V23 PolarHBondContact O-N 3.29Å; E20-K24 PolarHBondContact O-NZ 3.14Å; E20-L35 HydrophobicContact CB-CD2 4.12Å; E20-L35 HydrophobicContact CG-CD2 3.86Å; E20-H39 IonicContact OE2-CE1 3.87Å; E20-H39 IonicContact OE2-NE2 3.74Å
21D96.2Very high96.4Very high87 Ų8759.3 Ų59.347%0.46529%0.288SS..Hα-helixtrans-66.8-33.3-178.2-71.3-14.6000112.2Q17 L18 M19 K24Q17-D21 PolarHBondContact NE2-OD1 3.19Å; Q17-D21 WeakPolarHBondContact O-CB 3.5Å; Q17-D21 PolarHBondContact O-N 2.9Å; L18-D21 PolarHBondContact O-N 2.7Å; M19-D21 PolarHBondContact O-N 3.32Å; D21-K24 VanDerWaalsContact O-CE 3.22Å; D21-K24 WeakPolarHBondContact O-CE 3.49Å
22V95.5Very high96.4Very high25 Ų2560.9 Ų60.915%0.15230%0.302CS..Hα-helixtrans-79.5-31.3179.5175.50000111.8L18 M19 E20 K24 M74 C117 L121L18-V22 WeakPolarHBondContact O-CB 3.38Å; L18-V22 WeakPolarHBondContact O-CG2 3.44Å; L18-V22 PolarHBondContact O-N 2.97Å; L18-V22 VanDerWaalsContact O-N 3.1Å; M19-V22 PolarHBondContact O-N 3.01Å; E20-V22 VanDerWaalsContact C-N 3.3Å; E20-V22 PolarHBondContact O-N 3.4Å; V22-K24 PolarHBondContact O-N 2.97Å; V22-K24 VanDerWaalsContact O-N 3.11Å; V22-M74 HydrophobicContact CB-CE 4.17Å; V22-M74 HydrophobicContact CG1-CE 4.1Å; V22-M74 HydrophobicContact CG1-SD 4.3Å; V22-C117 HydrophobicContact CG1-CB 3.67Å; V22-L121 HydrophobicContact CG2-CD1 4.19Å; V22-L121 HydrophobicContact CG2-CD2 3.88Å; V22-L121 HydrophobicContact CG2-CG 4.17Å
23V96.6Very high96.3Very high0 Ų061.5 Ų61.50%031%0.308CS..  trans-73.9103.2176.51760000110.3M19 E20 L25 E31 V34 L35 I38 M74 Y113 L114M19-V23 WeakPolarHBondContact O-CG2 3.41Å; M19-V23 PolarHBondContact O-N 3.12Å; M19-V23 VanDerWaalsContact O-N 3.13Å; E20-V23 PolarHBondContact O-N 3.29Å; V23-L25 HydrophobicContact CG1-CD1 4.33Å; V23-E31 HydrophobicContact CG1-CG 4.21Å; V23-V34 HydrophobicContact CG1-CB 4.44Å; V23-V34 HydrophobicContact CG1-CG1 3.94Å; V23-V34 HydrophobicContact CG2-CG1 4.15Å; V23-L35 HydrophobicContact CB-CD2 3.93Å; V23-L35 HydrophobicContact CG1-CD2 4Å; V23-L35 HydrophobicContact CG1-CG 4.31Å; V23-I38 HydrophobicContact CG2-CD1 3.9Å; V23-M74 HydrophobicContact CG2-CE 3.4Å; V23-M74 VanDerWaalsContact CG2-CE 3.4Å; V23-Y113 HydrophobicContact CB-CE1 4.41Å; V23-Y113 HydrophobicContact CG1-CE1 4.09Å; V23-Y113 HydrophobicContact CG2-CE1 4.39Å; V23-L114 HydrophobicContact CG2-CD2 3.83Å
24K95.2Very high96.3Very high113 Ų11357 Ų5749%0.49128%0.281SS..  trans-136.785.4176.6-58.5-64.8170.4-118.40110.3E20 D21 V22 E31 Y113E20-K24 PolarHBondContact O-NZ 3.14Å; D21-K24 VanDerWaalsContact O-CE 3.22Å; D21-K24 WeakPolarHBondContact O-CE 3.49Å; V22-K24 PolarHBondContact O-N 2.97Å; V22-K24 VanDerWaalsContact O-N 3.11Å; K24-E31 VanDerWaalsContact CA-OE2 3.28Å; K24-E31 WeakPolarHBondContact CA-OE2 3.38Å; K24-Y113 WeakPolarHBondContact CA-OH 3.47Å; K24-Y113 PolarHBondContact N-OH 3.31Å; K24-Y113 PolarHBondContact O-OH 3Å
25L94.5Very high96.3Very high26 Ų2655.9 Ų55.914%0.13627%0.273CS..  trans-91146178.3-80.1153.7000111V23 K28 V30 E31 V34 Y113V23-L25 HydrophobicContact CG1-CD1 4.33Å; L25-K28 WeakPolarHBondContact O-CE 3.47Å; L25-K28 PolarHBondContact O-NZ 3.43Å; L25-V30 HydrophobicContact CD1-CG1 4.17Å; L25-E31 HydrophobicContact CB-CB 3.92Å; L25-E31 HydrophobicContact CB-CG 4.34Å; L25-E31 HydrophobicContact CD1-CB 4.39Å; L25-E31 PolarHBondContact N-OE2 3.26Å; L25-E31 VanDerWaalsContact O-OE2 3.06Å; L25-V34 HydrophobicContact CD1-CG2 4.25Å; L25-Y113 HydrophobicContact CD1-CD1 3.82Å; L25-Y113 HydrophobicContact CD1-CE1 4Å; L25-Y113 HydrophobicContact CD1-CG 4.28Å; L25-Y113 HydrophobicContact CD2-CD1 3.9Å; L25-Y113 HydrophobicContact CD2-CD2 3.46Å; L25-Y113 VanDerWaalsContact CD2-CD2 3.46Å; L25-Y113 HydrophobicContact CD2-CE1 4.16Å; L25-Y113 HydrophobicContact CD2-CE2 3.74Å; L25-Y113 HydrophobicContact CD2-CG 3.55Å; L25-Y113 HydrophobicContact CG-CD1 3.76Å; L25-Y113 HydrophobicContact CG-CD2 4.06Å; L25-Y113 HydrophobicContact CG-CE1 3.66Å; L25-Y113 HydrophobicContact CG-CE2 3.95Å; L25-Y113 HydrophobicContact CG-CG 3.96Å
26K94.8Very high96.1Very high210 Ų21059.9 Ų59.991%0.91329%0.294SS*.SBendtrans-68.1-38.1171.2-69.7-174.5-179.8177.40111.4K28K26-K28 PolarHBondContact O-N 3.08Å
27N95.6Very high95.9Very high85 Ų8558.7 Ų58.746%0.45529%0.287SS..SBendtrans-80.3101.2174.3-174.1-21.7000109.7K29 V30 E31N27-K29 VanDerWaalsContact C-N 3.31Å; N27-K29 PolarHBondContact O-N 3.33Å; N27-K29 PolarHBondContact OD1-N 2.96Å; N27-V30 HydrophobicContact CB-CB 4.23Å; N27-V30 HydrophobicContact CB-CG2 4.18Å; N27-V30 WeakPolarHBondContact ND2-CG2 3.47Å; N27-V30 PolarHBondContact O-N 2.95Å; N27-V30 PolarHBondContact OD1-N 2.91Å; N27-E31 PolarHBondContact O-N 3.4Å
28K97.4Very high95.8Very high120 Ų12054.8 Ų54.852%0.52227%0.269SS..Hα-helixtrans-69.3-23-174.8-62.2-52.9-173.4-1770115.1L25 K26 E31 S32L25-K28 WeakPolarHBondContact O-CE 3.47Å; L25-K28 PolarHBondContact O-NZ 3.43Å; K26-K28 PolarHBondContact O-N 3.08Å; K28-E31 HydrophobicContact CD-CB 4.43Å; K28-E31 VanDerWaalsContact CD-OE1 3.26Å; K28-E31 WeakPolarHBondContact CD-OE1 3.35Å; K28-E31 IonicContact NZ-OE1 2.71Å; K28-E31 PolarHBondContact NZ-OE1 3.38Å; K28-E31 IonicContact NZ-OE2 3.61Å; K28-E31 PolarHBondContact NZ-OE2 3.15Å; K28-S32 PolarHBondContact O-N 2.71Å
29K97Very high95.5Very high155 Ų15558 Ų5867%0.67428%0.283SS*.Hα-helixtrans-71.1-42.7173.6-65.1-176.9178.1-177.60110.9N27 S32 A33 F102N27-K29 VanDerWaalsContact C-N 3.31Å; N27-K29 PolarHBondContact O-N 3.33Å; N27-K29 PolarHBondContact OD1-N 2.96Å; K29-S32 PolarHBondContact O-N 3.26Å; K29-A33 PolarHBondContact O-N 3.12Å; K29-A33 VanDerWaalsContact O-N 3.14Å; K29-F102 HydrophobicContact CB-CE1 3.9Å; K29-F102 HydrophobicContact CB-CZ 4.08Å
30V95.3Very high95Very high7 Ų759.9 Ų59.94%0.04230%0.299CS..Hα-helixtrans-70.2-38.9176.2-1780000110.6L25 N27 S32 A33 V34 T106 A110L25-V30 HydrophobicContact CD1-CG1 4.17Å; N27-V30 HydrophobicContact CB-CB 4.23Å; N27-V30 HydrophobicContact CB-CG2 4.18Å; N27-V30 WeakPolarHBondContact ND2-CG2 3.47Å; N27-V30 PolarHBondContact O-N 2.95Å; N27-V30 PolarHBondContact OD1-N 2.91Å; V30-S32 VanDerWaalsContact C-N 3.35Å; V30-S32 PolarHBondContact O-N 3.37Å; V30-A33 PolarHBondContact O-N 2.97Å; V30-V34 HydrophobicContact CG1-CG2 4.38Å; V30-V34 WeakPolarHBondContact O-CG2 3.46Å; V30-V34 PolarHBondContact O-N 3.4Å; V30-T106 HydrophobicContact CB-CG2 4.42Å; V30-T106 HydrophobicContact CG1-CG2 4.15Å; V30-T106 HydrophobicContact CG2-CG2 3.34Å; V30-A110 HydrophobicContact CG1-CB 4.04Å
31E97.6Very high93.8Very high27 Ų2757.9 Ų57.913%0.12629%0.294CS..Hα-helixtrans-52.3-53.3170.9-168.2171.182.500111.3V23 K24 L25 N27 K28 A33 V34 L35V23-E31 HydrophobicContact CG1-CG 4.21Å; K24-E31 VanDerWaalsContact CA-OE2 3.28Å; K24-E31 WeakPolarHBondContact CA-OE2 3.38Å; L25-E31 HydrophobicContact CB-CB 3.92Å; L25-E31 HydrophobicContact CB-CG 4.34Å; L25-E31 HydrophobicContact CD1-CB 4.39Å; L25-E31 PolarHBondContact N-OE2 3.26Å; L25-E31 VanDerWaalsContact O-OE2 3.06Å; N27-E31 PolarHBondContact O-N 3.4Å; K28-E31 HydrophobicContact CD-CB 4.43Å; K28-E31 VanDerWaalsContact CD-OE1 3.26Å; K28-E31 WeakPolarHBondContact CD-OE1 3.35Å; K28-E31 IonicContact NZ-OE1 2.71Å; K28-E31 PolarHBondContact NZ-OE1 3.38Å; K28-E31 IonicContact NZ-OE2 3.61Å; K28-E31 PolarHBondContact NZ-OE2 3.15Å; E31-A33 VanDerWaalsContact C-N 3.33Å; E31-A33 PolarHBondContact O-N 3.27Å; E31-V34 PolarHBondContact O-N 3.19Å; E31-L35 HydrophobicContact CG-CD1 4.16Å; E31-L35 VanDerWaalsContact O-CG 3.31Å; E31-L35 WeakPolarHBondContact O-CG 3.48Å; E31-L35 PolarHBondContact O-N 2.9Å
32S97.3Very high93.1Very high60 Ų6055.8 Ų55.842%0.4229%0.292SS..Hα-helixtrans-56.7-46.6179.1-166.90000111.6K28 K29 V30 V34 L35 D36K28-S32 PolarHBondContact O-N 2.71Å; K29-S32 PolarHBondContact O-N 3.26Å; V30-S32 VanDerWaalsContact C-N 3.35Å; V30-S32 PolarHBondContact O-N 3.37Å; S32-V34 PolarHBondContact O-N 3.29Å; S32-L35 PolarHBondContact O-N 3.31Å; S32-D36 WeakPolarHBondContact O-CB 3.44Å; S32-D36 PolarHBondContact O-N 2.6Å
33A95.4Very high92.8Very high18 Ų1859.2 Ų59.215%0.14931%0.305CS..Hα-helixtrans-66.2-37.1-178.300000113.2K29 V30 E31 M37 I98 F102K29-A33 PolarHBondContact O-N 3.12Å; K29-A33 VanDerWaalsContact O-N 3.14Å; V30-A33 PolarHBondContact O-N 2.97Å; E31-A33 VanDerWaalsContact C-N 3.33Å; E31-A33 PolarHBondContact O-N 3.27Å; A33-M37 PolarHBondContact O-N 3.1Å; A33-I98 HydrophobicContact CB-CG1 4.17Å; A33-F102 HydrophobicContact CB-CD2 4.47Å; A33-F102 HydrophobicContact CB-CE2 3.59Å; A33-F102 HydrophobicContact CB-CZ 4.33Å
34V96Very high92.7Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-64.4-45.1172.9170.50000110.5V23 L25 V30 E31 S32 M37 I38 I98 A110 L114V23-V34 HydrophobicContact CG1-CB 4.44Å; V23-V34 HydrophobicContact CG1-CG1 3.94Å; V23-V34 HydrophobicContact CG2-CG1 4.15Å; L25-V34 HydrophobicContact CD1-CG2 4.25Å; V30-V34 HydrophobicContact CG1-CG2 4.38Å; V30-V34 WeakPolarHBondContact O-CG2 3.46Å; V30-V34 PolarHBondContact O-N 3.4Å; E31-V34 PolarHBondContact O-N 3.19Å; S32-V34 PolarHBondContact O-N 3.29Å; V34-M37 PolarHBondContact O-N 3.48Å; V34-I38 HydrophobicContact CG1-CD1 3.99Å; V34-I38 WeakPolarHBondContact O-CG1 3.45Å; V34-I38 PolarHBondContact O-N 3.41Å; V34-I98 HydrophobicContact CG2-CD1 3.66Å; V34-A110 HydrophobicContact CG2-CB 3.99Å; V34-L114 HydrophobicContact CG1-CD1 4.22Å; V34-L114 HydrophobicContact CG1-CD2 3.7Å; V34-L114 HydrophobicContact CG1-CG 4.15Å
35L96.4Very high92.8Very high27 Ų2755 Ų5514%0.14129%0.288CS..Hα-helixtrans-63.7-43.5177.1-67.8179.2000111.7E20 V23 E31 S32 M37 I38 H39E20-L35 HydrophobicContact CB-CD2 4.12Å; E20-L35 HydrophobicContact CG-CD2 3.86Å; V23-L35 HydrophobicContact CB-CD2 3.93Å; V23-L35 HydrophobicContact CG1-CD2 4Å; V23-L35 HydrophobicContact CG1-CG 4.31Å; E31-L35 HydrophobicContact CG-CD1 4.16Å; E31-L35 VanDerWaalsContact O-CG 3.31Å; E31-L35 WeakPolarHBondContact O-CG 3.48Å; E31-L35 PolarHBondContact O-N 2.9Å; S32-L35 PolarHBondContact O-N 3.31Å; L35-M37 VanDerWaalsContact C-N 3.26Å; L35-M37 PolarHBondContact O-N 2.89Å; L35-I38 HydrophobicContact CD2-CD1 4.4Å; L35-I38 WeakPolarHBondContact O-CB 3.34Å; L35-I38 PolarHBondContact O-N 2.89Å; L35-I38 VanDerWaalsContact O-N 3.12Å; L35-H39 PolarHBondContact O-CD2 3.41Å; L35-H39 PolarHBondContact O-N 3.35Å
36D95Very high92.9Very high83 Ų8355 Ų5544%0.44429%0.286SS..Hα-helixtrans-58-40.4175.9-69.1-28.4000110.9S32 H39 A40 L95S32-D36 WeakPolarHBondContact O-CB 3.44Å; S32-D36 PolarHBondContact O-N 2.6Å; D36-H39 PolarHBondContact O-N 3.23Å; D36-A40 WeakPolarHBondContact O-CB 3.47Å; D36-A40 PolarHBondContact O-N 3.31Å; D36-L95 HydrophobicContact CB-CD1 4.12Å
37M92.5Very high93Very high14 Ų1445 Ų457%0.06924%0.243CC..Hα-helixtrans-67.9-38.7175.6-177.4166.1170.400113.2A33 V34 L35 G41 T77 L80 I81 R93A33-M37 PolarHBondContact O-N 3.1Å; V34-M37 PolarHBondContact O-N 3.48Å; L35-M37 VanDerWaalsContact C-N 3.26Å; L35-M37 PolarHBondContact O-N 2.89Å; M37-G41 PolarHBondContact O-N 2.86Å; M37-T77 HydrophobicContact CE-CG2 4.05Å; M37-T77 HydrophobicContact CG-CG2 4.24Å; M37-T77 HydrophobicContact SD-CG2 4.43Å; M37-L80 HydrophobicContact CE-CB 3.55Å; M37-L80 HydrophobicContact CE-CD1 4.35Å; M37-I81 HydrophobicContact CE-CD1 4.48Å; M37-I81 HydrophobicContact CE-CG1 3.56Å; M37-I81 HydrophobicContact SD-CD1 4.07Å; M37-I81 HydrophobicContact SD-CG1 3.47Å; M37-I81 WeakPolarHBondContact SD-CG1 3.29Å; M37-R93 PolarHBondContact O-NH1 3.17Å
38I93.2Very high93.2Very high3 Ų341 Ų412%0.01522%0.221CC..Hα-helixtrans-62.1-46.2173.6-70.4168.2000110L16 M19 V23 V34 L35 G41 T77 L114L16-I38 HydrophobicContact CD2-CG2 4.1Å; M19-I38 HydrophobicContact CB-CD1 4.33Å; M19-I38 HydrophobicContact CB-CG2 4.13Å; M19-I38 HydrophobicContact CE-CD1 4.3Å; M19-I38 HydrophobicContact CE-CG1 3.99Å; M19-I38 HydrophobicContact CE-CG2 3.97Å; M19-I38 HydrophobicContact SD-CG2 4.39Å; V23-I38 HydrophobicContact CG2-CD1 3.9Å; V34-I38 HydrophobicContact CG1-CD1 3.99Å; V34-I38 WeakPolarHBondContact O-CG1 3.45Å; V34-I38 PolarHBondContact O-N 3.41Å; L35-I38 HydrophobicContact CD2-CD1 4.4Å; L35-I38 WeakPolarHBondContact O-CB 3.34Å; L35-I38 PolarHBondContact O-N 2.89Å; L35-I38 VanDerWaalsContact O-N 3.12Å; I38-G41 WeakPolarHBondContact O-CA 3.02Å; I38-G41 PolarHBondContact O-N 3.31Å; I38-T77 HydrophobicContact CG1-CG2 4.35Å; I38-L114 HydrophobicContact CD1-CD2 4.5Å
39H92Very high93.2Very high99 Ų9935.2 Ų35.246%0.45820%0.196SC..Hα-helixtrans-77.4-29.9-178.2-69.8-65.8000114E20 L35 D36 G41E20-H39 IonicContact OE2-CE1 3.87Å; E20-H39 IonicContact OE2-NE2 3.74Å; L35-H39 PolarHBondContact O-CD2 3.41Å; L35-H39 PolarHBondContact O-N 3.35Å; D36-H39 PolarHBondContact O-N 3.23Å; H39-G41 PolarHBondContact O-N 2.76Å; H39-G41 VanDerWaalsContact O-N 3.17Å
40A86.7Confident93.3Very high42 Ų4228 Ų2835%0.34717%0.165SC..Hα-helixtrans-57.5-27.3168.900000111.2D36 R93 L95D36-A40 WeakPolarHBondContact O-CB 3.47Å; D36-A40 PolarHBondContact O-N 3.31Å; A40-R93 HydrophobicContact CB-CB 4.1Å; A40-L95 HydrophobicContact CB-CD1 3.55Å; A40-L95 HydrophobicContact CB-CG 4.17Å
41G69.8Low93.5Very high14 Ų1427.7 Ų27.714%0.14416%0.163CC..  trans70.9176.9158.100000113.6M37 I38 H39 R93M37-G41 PolarHBondContact O-N 2.86Å; I38-G41 WeakPolarHBondContact O-CA 3.02Å; I38-G41 PolarHBondContact O-N 3.31Å; H39-G41 PolarHBondContact O-N 2.76Å; H39-G41 VanDerWaalsContact O-N 3.17Å; G41-R93 WeakPolarHBondContact O-CD 3.46Å; G41-R93 PolarHBondContact O-NE 3.42Å; G41-R93 PolarHBondContact O-NH1 3.24Å
42G81.1Confident93.5Very high43 Ų4326.4 Ų26.444%0.44316%0.157SC..  trans-138.1-158.6165.800000107.4L44G42-L44 PolarHBondContact O-N 3.06Å
43K88.9Confident93.6Very high97 Ų9723.6 Ų23.642%0.42214%0.137SC..  trans-68.2-15.7168.7-69.3174.4-172.7162.50112M1 W2 L45M1-K43 HydrophobicContact CE-CD 4.32Å; W2-K43 WeakPolarHBondContact CZ2-O 3.45Å; W2-K43 PolarHBondContact NE1-O 3.22Å; K43-L45 VanDerWaalsContact C-N 3.28Å; K43-L45 HydrophobicContact CB-CD1 4.18Å; K43-L45 HydrophobicContact CB-CD2 4.11Å; K43-L45 HydrophobicContact CB-CG 3.71Å; K43-L45 HydrophobicContact CD-CD1 4.25Å; K43-L45 PolarHBondContact O-N 3.42Å
44L95.1Very high93.7Very high16 Ų1623.2 Ų23.28%0.08413%0.134CC..  trans56.938.2-174.4-62.2175.3000113L12 L16 G42 P47 A48 E73L12-L44 HydrophobicContact CB-CD1 4.35Å; L12-L44 HydrophobicContact CD2-CB 4.06Å; L12-L44 HydrophobicContact CD2-CD1 4.49Å; L16-L44 HydrophobicContact CD1-CD1 3.86Å; L16-L44 HydrophobicContact CD2-CD1 4.08Å; L16-L44 HydrophobicContact CD2-CD2 4.11Å; L16-L44 HydrophobicContact CG-CD1 3.88Å; G42-L44 PolarHBondContact O-N 3.06Å; L44-P47 HydrophobicContact CB-CG 3.87Å; L44-P47 HydrophobicContact CD2-CG 4.15Å; L44-P47 WeakPolarHBondContact O-CD 3.26Å; L44-P47 WeakPolarHBondContact O-CG 3.42Å; L44-A48 WeakPolarHBondContact O-CB 3.5Å; L44-A48 PolarHBondContact O-N 3.35Å; L44-A48 VanDerWaalsContact O-N 3.13Å; L44-E73 HydrophobicContact CD2-CG 3.87Å
45L96.7Very high93.8Very high9 Ų923.9 Ų23.95%0.04714%0.137CC..Hα-helixtrans-67.2-41.4-177-65173.7000112.4M1 W2 K43 A48 Y49 F175 F207 I318M1-L45 HydrophobicContact SD-CD2 4.14Å; W2-L45 HydrophobicContact CH2-CD2 3.99Å; W2-L45 HydrophobicContact CZ2-CD2 3.99Å; K43-L45 VanDerWaalsContact C-N 3.28Å; K43-L45 HydrophobicContact CB-CD1 4.18Å; K43-L45 HydrophobicContact CB-CD2 4.11Å; K43-L45 HydrophobicContact CB-CG 3.71Å; K43-L45 HydrophobicContact CD-CD1 4.25Å; K43-L45 PolarHBondContact O-N 3.42Å; L45-A48 WeakPolarHBondContact O-CB 3.18Å; L45-A48 PolarHBondContact O-N 3.16Å; L45-Y49 WeakPolarHBondContact O-CD2 3.34Å; L45-Y49 PolarHBondContact O-N 3.28Å; L45-F175 HydrophobicContact CB-CE1 4.05Å; L45-F175 HydrophobicContact CB-CZ 4.19Å; L45-F207 HydrophobicContact CD1-CD2 4.07Å; L45-F207 HydrophobicContact CD1-CE2 3.47Å; L45-F207 VanDerWaalsContact CD1-CE2 3.47Å; L45-F207 HydrophobicContact CD1-CZ 4.05Å; L45-I318 HydrophobicContact CD1-CD1 4.23Å; L45-I318 HydrophobicContact CD2-CD1 4.43Å; L45-I318 HydrophobicContact CD2-CG2 3.91Å
46R97.5Very high93.9Very high26 Ų2623.8 Ų23.810%0.09814%0.136CC..Hα-helixtrans-59.2-55.9179.7-71.1169.817992.61.7112.3A48 Y49 Q50 H76 F175 S178R46-A48 VanDerWaalsContact C-N 3.26Å; R46-A48 PolarHBondContact O-N 2.89Å; R46-Y49 PolarHBondContact O-N 3.4Å; R46-Q50 PolarHBondContact O-N 2.85Å; R46-H76 PolarHBondContact NH1-CD2 3.23Å; R46-H76 PolarHBondContact NH1-CE1 3.21Å; R46-H76 PolarHBondContact NH1-NE2 2.79Å; R46-H76 VanDerWaalsContact NH1-NE2 3.12Å; R46-F175 HydrophobicContact CG-CD1 4.4Å; R46-F175 HydrophobicContact CG-CE1 4.35Å; R46-F175 HydrophobicContact CG-CE2 4.46Å; R46-F175 HydrophobicContact CG-CG 4.49Å; R46-F175 HydrophobicContact CG-CZ 4.38Å; R46-S178 WeakPolarHBondContact CB-OG 3.47Å
47P97.9Very high94Very high0 Ų020 Ų200%012%0.116CC..Hα-helixtrans-63.7-32.9175.424.6-34.8000111.9L12 T15 L44 Q50 L51 A69 E73L12-P47 HydrophobicContact CD2-CB 3.95Å; L12-P47 HydrophobicContact CD2-CG 3.9Å; T15-P47 HydrophobicContact CG2-CB 4.06Å; L44-P47 HydrophobicContact CB-CG 3.87Å; L44-P47 HydrophobicContact CD2-CG 4.15Å; L44-P47 WeakPolarHBondContact O-CD 3.26Å; L44-P47 WeakPolarHBondContact O-CG 3.42Å; P47-Q50 PolarHBondContact O-N 3.14Å; P47-L51 WeakPolarHBondContact O-CB 3.43Å; P47-L51 WeakPolarHBondContact O-CD1 3.37Å; P47-L51 WeakPolarHBondContact O-CG 3.38Å; P47-L51 PolarHBondContact O-N 3.37Å; P47-A69 HydrophobicContact CB-CB 3.79Å; P47-E73 WeakPolarHBondContact CD-OE2 3.45Å; P47-E73 HydrophobicContact CG-CB 4.23Å; P47-E73 HydrophobicContact CG-CG 4.36Å
48A98.4Very high94.2Very high0 Ų024.1 Ų24.10%014%0.144CC..Hα-helixtrans-60.9-48.3176.100000112.3W2 L8 L12 L44 L45 R46 L51 L52W2-A48 HydrophobicContact CH2-CB 3.31Å; W2-A48 HydrophobicContact CZ2-CB 3.83Å; W2-A48 HydrophobicContact CZ3-CB 3.93Å; L8-A48 HydrophobicContact CD2-CB 4.05Å; L12-A48 HydrophobicContact CD1-CB 4.25Å; L12-A48 HydrophobicContact CD2-CB 4.21Å; L44-A48 WeakPolarHBondContact O-CB 3.5Å; L44-A48 PolarHBondContact O-N 3.35Å; L44-A48 VanDerWaalsContact O-N 3.13Å; L45-A48 WeakPolarHBondContact O-CB 3.18Å; L45-A48 PolarHBondContact O-N 3.16Å; R46-A48 VanDerWaalsContact C-N 3.26Å; R46-A48 PolarHBondContact O-N 2.89Å; A48-L51 PolarHBondContact O-N 3.3Å; A48-L52 WeakPolarHBondContact O-CB 3.27Å; A48-L52 VanDerWaalsContact O-CG 3.31Å; A48-L52 WeakPolarHBondContact O-CG 3.45Å; A48-L52 PolarHBondContact O-N 3.18Å
49Y98.7Very high94.3Very high0 Ų028.5 Ų28.50%016%0.164CC..Hα-helixtrans-63.6-43175.8-82.3-67.4000112L45 R46 L51 L52 F53 F175 I203 L311 L314 T315 I318L45-Y49 WeakPolarHBondContact O-CD2 3.34Å; L45-Y49 PolarHBondContact O-N 3.28Å; R46-Y49 PolarHBondContact O-N 3.4Å; Y49-L51 PolarHBondContact O-N 3.43Å; Y49-L52 PolarHBondContact O-N 3.11Å; Y49-F53 WeakPolarHBondContact O-CD2 3.22Å; Y49-F53 PolarHBondContact O-N 3.41Å; Y49-F175 HydrophobicContact CD2-CD1 4.05Å; Y49-F175 AromaticContact CD2-CE1 3.89Å; Y49-F175 HydrophobicContact CD2-CE1 3.89Å; Y49-F175 HydrophobicContact CE2-CD1 4.43Å; Y49-F175 HydrophobicContact CE2-CE1 4.02Å; Y49-I203 HydrophobicContact CD1-CD1 4.23Å; Y49-I203 HydrophobicContact CE1-CD1 3.62Å; Y49-I203 HydrophobicContact CE2-CG2 3.97Å; Y49-L311 HydrophobicContact CD1-CD2 3.5Å; Y49-L311 HydrophobicContact CE1-CD2 3.72Å; Y49-L314 HydrophobicContact CD1-CD2 4.49Å; Y49-L314 HydrophobicContact CE1-CD2 4.06Å; Y49-L314 HydrophobicContact CE2-CD2 4.25Å; Y49-T315 VanDerWaalsContact OH-CA 3.31Å; Y49-T315 WeakPolarHBondContact OH-CA 3.49Å; Y49-T315 PolarHBondContact OH-OG1 3.29Å; Y49-I318 HydrophobicContact CE2-CD1 3.84Å; Y49-I318 WeakPolarHBondContact OH-CD1 3.45Å
50Q98.7Very high94.4Very high2 Ų227.7 Ų27.71%0.00916%0.161CC..Hα-helixtrans-58.7-47.8176.9-179.8166.6-16.500112.3R46 P47 L52 F53 A54 L68 A69 I72 S178 G182R46-Q50 PolarHBondContact O-N 2.85Å; P47-Q50 PolarHBondContact O-N 3.14Å; Q50-L52 PolarHBondContact O-N 2.8Å; Q50-F53 PolarHBondContact O-N 3.12Å; Q50-A54 PolarHBondContact O-N 2.94Å; Q50-L68 VanDerWaalsContact NE2-CB 3.28Å; Q50-L68 PolarHBondContact NE2-O 2.96Å; Q50-L68 VanDerWaalsContact NE2-O 3.11Å; Q50-A69 HydrophobicContact CG-CB 4.33Å; Q50-I72 VanDerWaalsContact OE1-CG1 3.26Å; Q50-S178 WeakPolarHBondContact CA-O 3.46Å; Q50-S178 VanDerWaalsContact CB-O 3.28Å; Q50-S178 WeakPolarHBondContact CB-O 3.35Å; Q50-S178 VanDerWaalsContact CG-O 3.28Å; Q50-S178 WeakPolarHBondContact CG-O 3.49Å; Q50-G182 WeakPolarHBondContact O-CA 3.36Å
51L98.7Very high94.9Very high2 Ų229.6 Ų29.61%0.0117%0.165CC..Hα-helixtrans-63.3-40.6178.2-71.7166000111.8L8 Q11 L12 P47 A48 Y49 A54 Q55 A65 T66 A69L8-L51 HydrophobicContact CD1-CB 3.73Å; L8-L51 HydrophobicContact CD1-CD1 3.98Å; Q11-L51 HydrophobicContact CB-CD1 3.75Å; Q11-L51 HydrophobicContact CB-CD2 4.32Å; L12-L51 HydrophobicContact CD2-CD1 3.94Å; L12-L51 HydrophobicContact CG-CD1 4.35Å; P47-L51 WeakPolarHBondContact O-CB 3.43Å; P47-L51 WeakPolarHBondContact O-CD1 3.37Å; P47-L51 WeakPolarHBondContact O-CG 3.38Å; P47-L51 PolarHBondContact O-N 3.37Å; A48-L51 PolarHBondContact O-N 3.3Å; Y49-L51 PolarHBondContact O-N 3.43Å; L51-A54 PolarHBondContact O-N 2.68Å; L51-Q55 PolarHBondContact O-N 3.43Å; L51-A65 HydrophobicContact CD2-CB 4.11Å; L51-T66 HydrophobicContact CD2-CG2 3.85Å; L51-A69 HydrophobicContact CD1-CB 4.47Å; L51-A69 HydrophobicContact CD2-CB 4.2Å; L51-A69 HydrophobicContact CG-CB 4.02Å
52L98.7Very high96.2Very high0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-63-46.6173.6-72.8171.3000111L8 A48 Y49 Q50 A54 Q55 T307 K310 L311 L314L8-L52 HydrophobicContact CD1-CG 4.39Å; L8-L52 HydrophobicContact CD2-CD1 4.05Å; L8-L52 HydrophobicContact CD2-CD2 4.26Å; L8-L52 HydrophobicContact CD2-CG 4.05Å; A48-L52 WeakPolarHBondContact O-CB 3.27Å; A48-L52 VanDerWaalsContact O-CG 3.31Å; A48-L52 WeakPolarHBondContact O-CG 3.45Å; A48-L52 PolarHBondContact O-N 3.18Å; Y49-L52 PolarHBondContact O-N 3.11Å; Q50-L52 PolarHBondContact O-N 2.8Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 2.98Å; L52-Q55 VanDerWaalsContact O-CB 3.3Å; L52-Q55 WeakPolarHBondContact O-CB 3.5Å; L52-Q55 PolarHBondContact O-N 3.39Å; L52-T307 HydrophobicContact CB-CG2 4.18Å; L52-T307 HydrophobicContact CD2-CG2 4.42Å; L52-T307 WeakPolarHBondContact O-CG2 3.47Å; L52-K310 HydrophobicContact CD2-CB 4.02Å; L52-K310 HydrophobicContact CD2-CD 4.08Å; L52-L311 HydrophobicContact CB-CD2 3.88Å; L52-L311 HydrophobicContact CB-CG 4.23Å; L52-L311 HydrophobicContact CD1-CD2 3.76Å; L52-L311 HydrophobicContact CD1-CG 4.22Å; L52-L311 HydrophobicContact CG-CD2 4.47Å; L52-L314 HydrophobicContact CD1-CD2 3.88Å
53F98.6Very high97Very high0 Ų037.5 Ų37.50%019%0.185CC..Hα-helixtrans-65.7-28.2178.6-86.8-74.4000113.5Y49 Q50 Q55 F56 C179 A183 F192 A196 I199 L300 L311Y49-F53 WeakPolarHBondContact O-CD2 3.22Å; Y49-F53 PolarHBondContact O-N 3.41Å; Q50-F53 PolarHBondContact O-N 3.12Å; F53-Q55 PolarHBondContact O-N 2.82Å; F53-F56 AromaticContact CD1-CD2 3.98Å; F53-F56 HydrophobicContact CD1-CD2 3.98Å; F53-F56 HydrophobicContact CD1-CE2 4.07Å; F53-F56 HydrophobicContact CE1-CE2 4.3Å; F53-F56 PolarHBondContact O-N 2.92Å; F53-C179 WeakPolarHBondContact CB-O 3.46Å; F53-C179 HydrophobicContact CD2-CB 3.56Å; F53-C179 VanDerWaalsContact CD2-SG 3.57Å; F53-C179 HydrophobicContact CE2-CB 3.68Å; F53-C179 WeakPolarHBondContact CE2-SG 3.36Å; F53-C179 HydrophobicContact CG-CB 4.22Å; F53-C179 HydrophobicContact CZ-CB 4.41Å; F53-A183 HydrophobicContact CB-CB 4.42Å; F53-F192 HydrophobicContact CD1-CE1 4.45Å; F53-A196 HydrophobicContact CD1-CB 3.45Å; F53-A196 VanDerWaalsContact CD1-CB 3.45Å; F53-A196 HydrophobicContact CE1-CB 3.46Å; F53-A196 VanDerWaalsContact CE1-CB 3.46Å; F53-A196 HydrophobicContact CG-CB 4.05Å; F53-A196 HydrophobicContact CZ-CB 4.07Å; F53-I199 HydrophobicContact CE1-CD1 4.41Å; F53-I199 HydrophobicContact CE2-CG2 4.44Å; F53-I199 HydrophobicContact CZ-CB 4.19Å; F53-I199 HydrophobicContact CZ-CD1 4.11Å; F53-I199 HydrophobicContact CZ-CG2 3.98Å; F53-L300 HydrophobicContact CE1-CD1 3.92Å; F53-L300 HydrophobicContact CE1-CD2 4.39Å; F53-L300 HydrophobicContact CZ-CD1 4.23Å; F53-L311 HydrophobicContact CD2-CD2 4.36Å; F53-L311 HydrophobicContact CE1-CD1 4.24Å; F53-L311 HydrophobicContact CE2-CD1 4.18Å; F53-L311 HydrophobicContact CE2-CD2 3.98Å; F53-L311 HydrophobicContact CZ-CD1 3.99Å
54A98.3Very high97.4Very high10 Ų1033.9 Ų33.98%0.08317%0.169CC..Hα-helixtrans-63.5-26.217200000113.4Q50 L51 L52 F56 G57 A65 G182 S186Q50-A54 PolarHBondContact O-N 2.94Å; L51-A54 PolarHBondContact O-N 2.68Å; L52-A54 VanDerWaalsContact C-N 3.26Å; L52-A54 PolarHBondContact O-N 2.98Å; A54-F56 PolarHBondContact O-N 3.41Å; A54-G57 PolarHBondContact O-N 3.15Å; A54-G57 VanDerWaalsContact O-N 3.15Å; A54-A65 HydrophobicContact CB-CB 4.03Å; A54-G182 VanDerWaalsContact CA-O 3.22Å; A54-G182 WeakPolarHBondContact CA-O 3.47Å; A54-S186 VanDerWaalsContact O-CB 3.22Å; A54-S186 WeakPolarHBondContact O-CB 3.46Å; A54-S186 PolarHBondContact O-OG 3.18Å
55Q98.3Very high97.6Very high15 Ų1533.9 Ų33.97%0.0717%0.171CC..THydrogen-bonded Turntrans-68.1-13.8178.3-65.4174.210.400113.4L51 L52 F53 Q60 N303 F305 T307L51-Q55 PolarHBondContact O-N 3.43Å; L52-Q55 VanDerWaalsContact O-CB 3.3Å; L52-Q55 WeakPolarHBondContact O-CB 3.5Å; L52-Q55 PolarHBondContact O-N 3.39Å; F53-Q55 PolarHBondContact O-N 2.82Å; Q55-Q60 PolarHBondContact O-NE2 3.06Å; Q55-N303 PolarHBondContact O-ND2 3.03Å; Q55-F305 HydrophobicContact CB-CB 4.46Å; Q55-F305 HydrophobicContact CB-CD2 3.9Å; Q55-F305 HydrophobicContact CB-CG 4.37Å; Q55-F305 HydrophobicContact CG-CD2 4.34Å; Q55-F305 HydrophobicContact CG-CG 4.47Å; Q55-T307 HydrophobicContact CB-CG2 4.14Å; Q55-T307 VanDerWaalsContact CB-OG1 3.31Å; Q55-T307 WeakPolarHBondContact CB-OG1 3.24Å; Q55-T307 PolarHBondContact OE1-OG1 3.06Å
56F98.2Very high97.6Very high25 Ų2533.6 Ų33.611%0.1117%0.17CC..THydrogen-bonded Turntrans-80.7-18.6174-70.1-69.1000113.7F53 A54 N188 F192 L300 P301 T307 L311F53-F56 AromaticContact CD1-CD2 3.98Å; F53-F56 HydrophobicContact CD1-CD2 3.98Å; F53-F56 HydrophobicContact CD1-CE2 4.07Å; F53-F56 HydrophobicContact CE1-CE2 4.3Å; F53-F56 PolarHBondContact O-N 2.92Å; A54-F56 PolarHBondContact O-N 3.41Å; F56-N188 VanDerWaalsContact C-ND2 3.3Å; F56-N188 PolarHBondContact O-ND2 3.39Å; F56-N188 PolarHBondContact O-OD1 3.1Å; F56-F192 HydrophobicContact CB-CE1 3.66Å; F56-F192 HydrophobicContact CB-CZ 3.63Å; F56-F192 HydrophobicContact CD1-CZ 4.08Å; F56-F192 HydrophobicContact CD2-CE1 4.02Å; F56-F192 AromaticContact CD2-CZ 3.67Å; F56-F192 HydrophobicContact CD2-CZ 3.67Å; F56-F192 HydrophobicContact CE2-CZ 4.32Å; F56-F192 AromaticContact CG-CE1 3.98Å; F56-F192 HydrophobicContact CG-CE1 3.98Å; F56-F192 AromaticContact CG-CZ 3.52Å; F56-F192 HydrophobicContact CG-CZ 3.52Å; F56-L300 HydrophobicContact CE1-CB 4.35Å; F56-L300 HydrophobicContact CE2-CD1 3.97Å; F56-L300 HydrophobicContact CZ-CB 4.02Å; F56-L300 HydrophobicContact CZ-CD1 3.89Å; F56-L300 HydrophobicContact CZ-CG 4.46Å; F56-P301 HydrophobicContact CD1-CG 4.03Å; F56-P301 HydrophobicContact CE1-CG 4.18Å; F56-P301 VanDerWaalsContact CE1-O 3.29Å; F56-P301 WeakPolarHBondContact CE1-O 3.47Å; F56-T307 HydrophobicContact CD2-CG2 4.02Å; F56-T307 HydrophobicContact CE1-CG2 4.31Å; F56-T307 HydrophobicContact CE2-CG2 3.4Å; F56-T307 HydrophobicContact CZ-CG2 3.57Å; F56-L311 HydrophobicContact CE2-CD1 3.77Å; F56-L311 HydrophobicContact CZ-CD1 4.18Å
57G96.8Very high97.7Very high2 Ų232.3 Ų32.32%0.02117%0.165CC..SBendtrans-84.9154-174.800000113.6A54 E59 Q60 S186 N188A54-G57 PolarHBondContact O-N 3.15Å; A54-G57 VanDerWaalsContact O-N 3.15Å; G57-E59 VanDerWaalsContact C-N 3.34Å; G57-E59 PolarHBondContact O-N 3.37Å; G57-Q60 PolarHBondContact O-NE2 3.43Å; G57-S186 CarbonylContact C-O 3.42Å; G57-S186 VanDerWaalsContact C-O 3.31Å; G57-S186 VanDerWaalsContact CA-O 3.22Å; G57-S186 WeakPolarHBondContact CA-O 3.35Å; G57-S186 WeakPolarHBondContact CA-OG 3.48Å; G57-N188 WeakPolarHBondContact CA-ND2 3.32Å; G57-N188 PolarHBondContact N-ND2 3.1Å
58P96.2Very high97.7Very high102 Ų10232.5 Ų32.566%0.66217%0.166SC*.SBendtrans-71.9-23.6-178.829.2-36.7000114.1S186P58-S186 VanDerWaalsContact CD-O 3.25Å; P58-S186 WeakPolarHBondContact CD-O 3.01Å
59E95.4Very high97.7Very high95 Ų9532.5 Ų32.544%0.44417%0.166SC..  trans-70.4-36.3-171.2-67.3-177.6-170.400113.3G57 D61 K64 S186G57-E59 VanDerWaalsContact C-N 3.34Å; G57-E59 PolarHBondContact O-N 3.37Å; E59-D61 PolarHBondContact O-N 3.09Å; E59-K64 IonicContact OE2-NZ 3.43Å; E59-K64 PolarHBondContact OE2-NZ 3.09Å; E59-S186 WeakPolarHBondContact CB-O 3.14Å; E59-S186 PolarHBondContact N-O 3.07Å; E59-S186 VanDerWaalsContact N-O 3.12Å
60Q94.9Very high97.6Very high82 Ų8232.5 Ų32.538%0.38317%0.166SC..  trans48.331.7178.6-59.6-67.9-4100114.4Q55 G57 E62Q55-Q60 PolarHBondContact O-NE2 3.06Å; G57-Q60 PolarHBondContact O-NE2 3.43Å; Q60-E62 PolarHBondContact O-N 2.87Å
61D97Very high97.5Very high81 Ų8132.4 Ų32.443%0.43317%0.165SC..  trans-77.499.9176.2-176.7-21.3000110.3E59 K63 K64 A65E59-D61 PolarHBondContact O-N 3.09Å; D61-K63 VanDerWaalsContact C-N 3.32Å; D61-K63 PolarHBondContact O-N 2.88Å; D61-K63 PolarHBondContact OD1-N 3.48Å; D61-K64 HydrophobicContact CB-CB 3.85Å; D61-K64 HydrophobicContact CB-CD 4.46Å; D61-K64 VanDerWaalsContact CG-CB 3.4Å; D61-K64 PolarHBondContact O-N 2.84Å; D61-K64 PolarHBondContact OD1-N 3.18Å; D61-A65 WeakPolarHBondContact O-CB 3.49Å; D61-A65 PolarHBondContact O-N 3.49Å
62E96.5Very high97.4Very high91 Ų9132.3 Ų32.343%0.42517%0.165SC..Hα-helixtrans-60.9-38.7-178.7-173.8178.3178.900112.6Q60 A65 T66Q60-E62 PolarHBondContact O-N 2.87Å; E62-A65 PolarHBondContact O-N 3.41Å; E62-T66 HydrophobicContact CG-CG2 4.39Å; E62-T66 WeakPolarHBondContact O-CB 3.29Å; E62-T66 WeakPolarHBondContact O-CG2 3.48Å; E62-T66 PolarHBondContact O-N 3.04Å; E62-T66 PolarHBondContact O-OG1 2.97Å
63K97.4Very high97.3Very high133 Ų13332.5 Ų32.558%0.57817%0.166SC*.Hα-helixtrans-68-44.8-178.6-179.7177.4175-177.30110.3D61 T66 S67 Y125D61-K63 VanDerWaalsContact C-N 3.32Å; D61-K63 PolarHBondContact O-N 2.88Å; D61-K63 PolarHBondContact OD1-N 3.48Å; K63-T66 PolarHBondContact O-OG1 3.4Å; K63-S67 VanDerWaalsContact O-CB 3.23Å; K63-S67 WeakPolarHBondContact O-CB 3.25Å; K63-S67 PolarHBondContact O-N 3.1Å; K63-S67 PolarHBondContact O-OG 3.34Å; K63-Y125 WeakPolarHBondContact CE-OH 3.34Å; K63-Y125 HydrophobicContact CG-CE1 4.28Å
64K97.8Very high97.2Very high21 Ų2132.5 Ų32.59%0.09117%0.166CC..Hα-helixtrans-62.9-46.8175.6-179.5176.4171.7-167.30111.4E59 D61 T66 S67 L68 Y125 E185E59-K64 IonicContact OE2-NZ 3.43Å; E59-K64 PolarHBondContact OE2-NZ 3.09Å; D61-K64 HydrophobicContact CB-CB 3.85Å; D61-K64 HydrophobicContact CB-CD 4.46Å; D61-K64 VanDerWaalsContact CG-CB 3.4Å; D61-K64 PolarHBondContact O-N 2.84Å; D61-K64 PolarHBondContact OD1-N 3.18Å; K64-T66 PolarHBondContact O-N 3.26Å; K64-S67 PolarHBondContact O-N 3.14Å; K64-L68 HydrophobicContact CG-CD1 3.89Å; K64-L68 WeakPolarHBondContact O-CB 3.33Å; K64-L68 WeakPolarHBondContact O-CG 3.4Å; K64-L68 PolarHBondContact O-N 3.43Å; K64-Y125 HydrophobicContact CB-CD1 4.2Å; K64-Y125 VanDerWaalsContact CE-O 3.28Å; K64-Y125 WeakPolarHBondContact CE-O 3.46Å; K64-Y125 HydrophobicContact CG-CD1 4.3Å; K64-E185 WeakPolarHBondContact CE-O 3.31Å; K64-E185 PolarHBondContact NZ-O 3.49Å
65A98.2Very high97.1Very high16 Ų1632.4 Ų32.413%0.13216%0.164CC..Hα-helixtrans-60.6-46.9179.400000112.4L51 A54 D61 E62 A69L51-A65 HydrophobicContact CD2-CB 4.11Å; A54-A65 HydrophobicContact CB-CB 4.03Å; D61-A65 WeakPolarHBondContact O-CB 3.49Å; D61-A65 PolarHBondContact O-N 3.49Å; E62-A65 PolarHBondContact O-N 3.41Å; A65-A69 VanDerWaalsContact O-CB 3.31Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3.43Å
66T98.4Very high97Very high2 Ų232.7 Ų32.71%0.01217%0.165CC..Hα-helixtrans-69.3-35.6178.950.90000113Q11 T14 T15 L18 L51 E62 K63 K64 A69 A70Q11-T66 HydrophobicContact CB-CG2 4.2Å; T14-T66 HydrophobicContact CG2-CG2 4.2Å; T15-T66 PolarHBondContact OG1-O 3.47Å; L18-T66 WeakPolarHBondContact CD1-OG1 3.48Å; L51-T66 HydrophobicContact CD2-CG2 3.85Å; E62-T66 HydrophobicContact CG-CG2 4.39Å; E62-T66 WeakPolarHBondContact O-CB 3.29Å; E62-T66 WeakPolarHBondContact O-CG2 3.48Å; E62-T66 PolarHBondContact O-N 3.04Å; E62-T66 PolarHBondContact O-OG1 2.97Å; K63-T66 PolarHBondContact O-OG1 3.4Å; K64-T66 PolarHBondContact O-N 3.26Å; T66-A69 PolarHBondContact O-N 3.26Å; T66-A70 WeakPolarHBondContact O-CB 3.18Å; T66-A70 PolarHBondContact O-N 3.48Å
67S98.3Very high96.9Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-68.4-42176.4-59.20000112.3K63 K64 A69 A70 S71 Y125K63-S67 VanDerWaalsContact O-CB 3.23Å; K63-S67 WeakPolarHBondContact O-CB 3.25Å; K63-S67 PolarHBondContact O-N 3.1Å; K63-S67 PolarHBondContact O-OG 3.34Å; K64-S67 PolarHBondContact O-N 3.14Å; S67-A69 VanDerWaalsContact C-N 3.34Å; S67-A70 WeakPolarHBondContact O-CB 3.28Å; S67-A70 PolarHBondContact O-N 3.15Å; S67-S71 PolarHBondContact O-N 3Å; S67-Y125 VanDerWaalsContact CB-CD2 3.45Å; S67-Y125 WeakPolarHBondContact OG-CE2 3.31Å; S67-Y125 VanDerWaalsContact OG-CZ 3.26Å; S67-Y125 PolarHBondContact OG-OH 3.25Å
68L97.9Very high96.8Very high3 Ų331.6 Ų31.62%0.01616%0.16CC..Hα-helixtrans-68.7-35.8174.1-69.4166.5000111.1Q50 K64 A70 S71 I72 L122 V181 E185Q50-L68 VanDerWaalsContact NE2-CB 3.28Å; Q50-L68 PolarHBondContact NE2-O 2.96Å; Q50-L68 VanDerWaalsContact NE2-O 3.11Å; K64-L68 HydrophobicContact CG-CD1 3.89Å; K64-L68 WeakPolarHBondContact O-CB 3.33Å; K64-L68 WeakPolarHBondContact O-CG 3.4Å; K64-L68 PolarHBondContact O-N 3.43Å; L68-A70 VanDerWaalsContact C-N 3.33Å; L68-S71 WeakPolarHBondContact O-CB 3.35Å; L68-S71 PolarHBondContact O-N 3.34Å; L68-S71 PolarHBondContact O-OG 3.36Å; L68-I72 PolarHBondContact O-N 2.93Å; L68-L122 HydrophobicContact CD2-CD2 3.89Å; L68-V181 HydrophobicContact CB-CG1 4.23Å; L68-V181 HydrophobicContact CD1-CG1 4.41Å; L68-E185 HydrophobicContact CD1-CB 3.41Å; L68-E185 VanDerWaalsContact CD1-CB 3.41Å; L68-E185 HydrophobicContact CD1-CG 3.6Å
69A98.1Very high96.7Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-64.8-39.3175.100000111.4T15 P47 Q50 L51 A65 T66 S67 S71 I72 E73T15-A69 HydrophobicContact CG2-CB 4.23Å; P47-A69 HydrophobicContact CB-CB 3.79Å; Q50-A69 HydrophobicContact CG-CB 4.33Å; L51-A69 HydrophobicContact CD1-CB 4.47Å; L51-A69 HydrophobicContact CD2-CB 4.2Å; L51-A69 HydrophobicContact CG-CB 4.02Å; A65-A69 VanDerWaalsContact O-CB 3.31Å; A65-A69 WeakPolarHBondContact O-CB 3.49Å; A65-A69 PolarHBondContact O-N 3.43Å; T66-A69 PolarHBondContact O-N 3.26Å; S67-A69 VanDerWaalsContact C-N 3.34Å; A69-S71 VanDerWaalsContact C-N 3.32Å; A69-S71 PolarHBondContact O-N 3.03Å; A69-I72 PolarHBondContact O-N 3.4Å; A69-E73 PolarHBondContact O-N 3.01Å; A69-E73 VanDerWaalsContact O-N 3.1Å
70A97.8Very high96.7Very high0 Ų024.4 Ų24.40%012%0.12CC..Hα-helixtrans-60.8-41.1171.700000111.4T15 L18 M19 T66 S67 L68 I72 E73 M74 L121T15-A70 HydrophobicContact CG2-CB 3.99Å; L18-A70 HydrophobicContact CB-CB 4.08Å; M19-A70 HydrophobicContact CG-CB 3.71Å; T66-A70 WeakPolarHBondContact O-CB 3.18Å; T66-A70 PolarHBondContact O-N 3.48Å; S67-A70 WeakPolarHBondContact O-CB 3.28Å; S67-A70 PolarHBondContact O-N 3.15Å; L68-A70 VanDerWaalsContact C-N 3.33Å; A70-I72 VanDerWaalsContact C-N 3.34Å; A70-I72 PolarHBondContact O-N 3.13Å; A70-E73 PolarHBondContact O-N 2.9Å; A70-M74 WeakPolarHBondContact O-CB 3.34Å; A70-M74 VanDerWaalsContact O-CG 3.26Å; A70-M74 WeakPolarHBondContact O-CG 3.45Å; A70-M74 PolarHBondContact O-N 3.47Å; A70-L121 HydrophobicContact CB-CD1 4.01Å
71S96.9Very high96.8Very high0 Ų020.7 Ų20.70%010%0.103CC..Hα-helixtrans-59.6-42.7179.1810000112.9S67 L68 A69 M74 L75 C118 L122S67-S71 PolarHBondContact O-N 3Å; L68-S71 WeakPolarHBondContact O-CB 3.35Å; L68-S71 PolarHBondContact O-N 3.34Å; L68-S71 PolarHBondContact O-OG 3.36Å; A69-S71 VanDerWaalsContact C-N 3.32Å; A69-S71 PolarHBondContact O-N 3.03Å; S71-M74 PolarHBondContact O-N 3.37Å; S71-L75 PolarHBondContact O-N 3.28Å; S71-C118 WeakPolarHBondContact O-CB 3.47Å; S71-C118 PolarHBondContact O-SG 3.04Å; S71-L122 VanDerWaalsContact OG-CD2 3.29Å; S71-L122 WeakPolarHBondContact OG-CD2 3.5Å
72I96.5Very high96.7Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-75.3-36-178.6-60.5-54.8000111.3Q50 L68 A69 A70 M74 L75 H76 L122 L174 L177 S178Q50-I72 VanDerWaalsContact OE1-CG1 3.26Å; L68-I72 PolarHBondContact O-N 2.93Å; A69-I72 PolarHBondContact O-N 3.4Å; A70-I72 VanDerWaalsContact C-N 3.34Å; A70-I72 PolarHBondContact O-N 3.13Å; I72-M74 VanDerWaalsContact C-N 3.33Å; I72-L75 WeakPolarHBondContact O-CB 3.5Å; I72-L75 PolarHBondContact O-N 3.14Å; I72-H76 PolarHBondContact O-N 3.21Å; I72-L122 HydrophobicContact CD1-CD2 4.49Å; I72-L174 HydrophobicContact CG2-CD1 3.68Å; I72-L174 HydrophobicContact CG2-CG 4.34Å; I72-L177 HydrophobicContact CD1-CD2 3.76Å; I72-L177 HydrophobicContact CD1-CG 3.98Å; I72-S178 VanDerWaalsContact CG2-OG 3.31Å; I72-S178 WeakPolarHBondContact CG2-OG 3.13Å
73E96.9Very high96.6Very high5 Ų516.9 Ų16.92%0.0238%0.083CC..Hα-helixtrans-70.3-30.3173.3-17164-167.100112.1M19 L44 P47 A69 A70 H76 T77M19-E73 HydrophobicContact CE-CB 4.15Å; M19-E73 HydrophobicContact CE-CG 3.8Å; M19-E73 HydrophobicContact SD-CB 3.93Å; M19-E73 HydrophobicContact SD-CG 3.79Å; L44-E73 HydrophobicContact CD2-CG 3.87Å; P47-E73 WeakPolarHBondContact CD-OE2 3.45Å; P47-E73 HydrophobicContact CG-CB 4.23Å; P47-E73 HydrophobicContact CG-CG 4.36Å; A69-E73 PolarHBondContact O-N 3.01Å; A69-E73 VanDerWaalsContact O-N 3.1Å; A70-E73 PolarHBondContact O-N 2.9Å; E73-H76 PolarHBondContact O-N 3.5Å; E73-H76 IonicContact OE1-CD2 3.7Å; E73-H76 IonicContact OE2-CD2 3.37Å; E73-T77 WeakPolarHBondContact O-CB 3.29Å; E73-T77 PolarHBondContact O-N 3.44Å; E73-T77 PolarHBondContact O-OG1 3.27Å
74M96.2Very high96.5Very high0 Ų010.6 Ų10.60%06%0.056CC..Hα-helixtrans-65.3-42.1169.7-76-176.7121.900111.8M19 V22 V23 A70 S71 I72 H76 T77 A78 L114 C117 C118 L121M19-M74 HydrophobicContact CB-CE 4.42Å; M19-M74 HydrophobicContact CB-CG 4.42Å; M19-M74 HydrophobicContact CE-CG 3.87Å; M19-M74 HydrophobicContact CG-CG 3.96Å; V22-M74 HydrophobicContact CB-CE 4.17Å; V22-M74 HydrophobicContact CG1-CE 4.1Å; V22-M74 HydrophobicContact CG1-SD 4.3Å; V23-M74 HydrophobicContact CG2-CE 3.4Å; V23-M74 VanDerWaalsContact CG2-CE 3.4Å; A70-M74 WeakPolarHBondContact O-CB 3.34Å; A70-M74 VanDerWaalsContact O-CG 3.26Å; A70-M74 WeakPolarHBondContact O-CG 3.45Å; A70-M74 PolarHBondContact O-N 3.47Å; S71-M74 PolarHBondContact O-N 3.37Å; I72-M74 VanDerWaalsContact C-N 3.33Å; M74-H76 VanDerWaalsContact C-N 3.34Å; M74-T77 PolarHBondContact O-N 3.05Å; M74-A78 WeakPolarHBondContact O-CB 3.45Å; M74-A78 PolarHBondContact O-N 3.06Å; M74-L114 HydrophobicContact CE-CD2 3.86Å; M74-C117 HydrophobicContact CE-CB 3.4Å; M74-C117 VanDerWaalsContact CE-CB 3.4Å; M74-C117 HydrophobicContact SD-CB 3.49Å; M74-C117 WeakPolarHBondContact SD-CB 3.27Å; M74-C118 HydrophobicContact CB-CB 4.39Å; M74-L121 HydrophobicContact SD-CD1 3.83Å
75L95.8Very high96.4Very high7 Ų711 Ų114%0.0376%0.059CC..Hα-helixtrans-57.9-48.1172.5176.661.3000110.7S71 I72 T77 A78 T79 F115 C118 M139 I142 L174 L177S71-L75 PolarHBondContact O-N 3.28Å; I72-L75 WeakPolarHBondContact O-CB 3.5Å; I72-L75 PolarHBondContact O-N 3.14Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.44Å; L75-A78 WeakPolarHBondContact O-CB 3.43Å; L75-A78 PolarHBondContact O-N 3.26Å; L75-T79 WeakPolarHBondContact O-CG2 3.41Å; L75-T79 PolarHBondContact O-N 2.81Å; L75-F115 HydrophobicContact CD1-CD2 3.6Å; L75-F115 HydrophobicContact CD1-CE2 3.57Å; L75-C118 HydrophobicContact CB-CB 4.41Å; L75-M139 HydrophobicContact CD2-CE 4.1Å; L75-M139 HydrophobicContact CD2-CG 3.87Å; L75-I142 HydrophobicContact CD2-CD1 4.3Å; L75-L174 HydrophobicContact CD2-CD1 3.69Å; L75-L174 HydrophobicContact CG-CD1 4.27Å; L75-L177 HydrophobicContact CD2-CD2 4.33Å
76H95.7Very high96Very high22 Ų2213.5 Ų13.510%0.1027%0.072CC..Hα-helixtrans-58.5-43.8175.5-179.435.2000112.5R46 I72 E73 M74 A78 T79 L80 L174R46-H76 PolarHBondContact NH1-CD2 3.23Å; R46-H76 PolarHBondContact NH1-CE1 3.21Å; R46-H76 PolarHBondContact NH1-NE2 2.79Å; R46-H76 VanDerWaalsContact NH1-NE2 3.12Å; I72-H76 PolarHBondContact O-N 3.21Å; E73-H76 PolarHBondContact O-N 3.5Å; E73-H76 IonicContact OE1-CD2 3.7Å; E73-H76 IonicContact OE2-CD2 3.37Å; M74-H76 VanDerWaalsContact C-N 3.34Å; H76-A78 VanDerWaalsContact C-N 3.27Å; H76-A78 PolarHBondContact O-N 3.38Å; H76-T79 PolarHBondContact O-N 3.02Å; H76-T79 PolarHBondContact O-OG1 3.06Å; H76-L80 WeakPolarHBondContact O-CG 3.3Å; H76-L80 PolarHBondContact O-N 2.98Å; H76-L80 VanDerWaalsContact O-N 3.14Å; H76-L174 HydrophobicContact CB-CD2 3.73Å
77T95.7Very high95.6Very high1 Ų117.5 Ų17.51%0.0069%0.094CC..Hα-helixtrans-65.7-35.2179.6-54.10000110.9M37 I38 E73 M74 L75 L80 I81 L114M37-T77 HydrophobicContact CE-CG2 4.05Å; M37-T77 HydrophobicContact CG-CG2 4.24Å; M37-T77 HydrophobicContact SD-CG2 4.43Å; I38-T77 HydrophobicContact CG1-CG2 4.35Å; E73-T77 WeakPolarHBondContact O-CB 3.29Å; E73-T77 PolarHBondContact O-N 3.44Å; E73-T77 PolarHBondContact O-OG1 3.27Å; M74-T77 PolarHBondContact O-N 3.05Å; L75-T77 VanDerWaalsContact C-N 3.32Å; L75-T77 PolarHBondContact O-N 3.44Å; T77-L80 PolarHBondContact O-N 3.45Å; T77-I81 WeakPolarHBondContact O-CG1 3.1Å; T77-I81 PolarHBondContact O-N 2.96Å; T77-I81 VanDerWaalsContact O-N 3.14Å; T77-L114 HydrophobicContact CG2-CD1 3.49Å; T77-L114 VanDerWaalsContact CG2-CD1 3.49Å
78A95.6Very high95.2Very high3 Ų324.4 Ų24.43%0.02513%0.126CC..Hα-helixtrans-62.7-45.3173.900000112M74 L75 H76 L80 I81 H82 G111 L114M74-A78 WeakPolarHBondContact O-CB 3.45Å; M74-A78 PolarHBondContact O-N 3.06Å; L75-A78 WeakPolarHBondContact O-CB 3.43Å; L75-A78 PolarHBondContact O-N 3.26Å; H76-A78 VanDerWaalsContact C-N 3.27Å; H76-A78 PolarHBondContact O-N 3.38Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.05Å; A78-I81 PolarHBondContact O-N 3Å; A78-H82 PolarHBondContact O-N 3.29Å; A78-H82 VanDerWaalsContact O-N 3.12Å; A78-G111 WeakPolarHBondContact CB-O 3.42Å; A78-L114 HydrophobicContact CB-CB 3.78Å
79T94.7Very high94.9Very high26 Ų2625.4 Ų25.416%0.1613%0.134CC..Hα-helixtrans-59.9-46.5177.370.60000110.5L75 H76 I81 H82 D83 I142L75-T79 WeakPolarHBondContact O-CG2 3.41Å; L75-T79 PolarHBondContact O-N 2.81Å; H76-T79 PolarHBondContact O-N 3.02Å; H76-T79 PolarHBondContact O-OG1 3.06Å; T79-I81 VanDerWaalsContact C-N 3.29Å; T79-I81 PolarHBondContact O-N 3.32Å; T79-H82 CarbonylContact O-C 3.34Å; T79-H82 WeakPolarHBondContact O-CA 3.34Å; T79-H82 PolarHBondContact O-N 2.76Å; T79-D83 PolarHBondContact O-N 3.12Å; T79-I142 HydrophobicContact CG2-CG2 4.45Å
80L94.8Very high94.7Very high20 Ų2030.6 Ų30.611%0.10516%0.158CC..Hα-helixtrans-58.2-38.6178.1-67.4177.5000113.4M37 H76 T77 A78 H82 D84M37-L80 HydrophobicContact CE-CB 3.55Å; M37-L80 HydrophobicContact CE-CD1 4.35Å; H76-L80 WeakPolarHBondContact O-CG 3.3Å; H76-L80 PolarHBondContact O-N 2.98Å; H76-L80 VanDerWaalsContact O-N 3.14Å; T77-L80 PolarHBondContact O-N 3.45Å; A78-L80 VanDerWaalsContact C-N 3.34Å; A78-L80 PolarHBondContact O-N 3.05Å; L80-H82 VanDerWaalsContact C-N 3.34Å; L80-D84 WeakPolarHBondContact O-CB 3.5Å; L80-D84 PolarHBondContact O-N 3.12Å
81I96.2Very high94.4Very high3 Ų335.9 Ų35.92%0.01519%0.186CC..Hα-helixtrans-65.3-40.8176.2-68.1169.4000110.6M37 T77 A78 T79 I85 I98 A107 A110 L114M37-I81 HydrophobicContact CE-CD1 4.48Å; M37-I81 HydrophobicContact CE-CG1 3.56Å; M37-I81 HydrophobicContact SD-CD1 4.07Å; M37-I81 HydrophobicContact SD-CG1 3.47Å; M37-I81 WeakPolarHBondContact SD-CG1 3.29Å; T77-I81 WeakPolarHBondContact O-CG1 3.1Å; T77-I81 PolarHBondContact O-N 2.96Å; T77-I81 VanDerWaalsContact O-N 3.14Å; A78-I81 PolarHBondContact O-N 3Å; T79-I81 VanDerWaalsContact C-N 3.29Å; T79-I81 PolarHBondContact O-N 3.32Å; I81-I85 WeakPolarHBondContact O-CG1 3.43Å; I81-I98 HydrophobicContact CD1-CD1 3.79Å; I81-I98 HydrophobicContact CG1-CD1 4.16Å; I81-I98 HydrophobicContact CG2-CD1 4.46Å; I81-A107 HydrophobicContact CG2-CB 4.31Å; I81-A107 WeakPolarHBondContact CG2-O 3Å; I81-A110 HydrophobicContact CD1-CB 4.48Å; I81-A110 HydrophobicContact CG2-CB 4.38Å; I81-L114 HydrophobicContact CD1-CD1 3.53Å; I81-L114 HydrophobicContact CD1-CG 4.41Å
82H95.7Very high94.1Very high59 Ų5939.7 Ų39.727%0.27320%0.2SC..Hα-helixtrans-69.6-41.5177.1-66.3161.6000111.9A78 T79 L80 D84 I85 V86 V108 G111 D112A78-H82 PolarHBondContact O-N 3.29Å; A78-H82 VanDerWaalsContact O-N 3.12Å; T79-H82 CarbonylContact O-C 3.34Å; T79-H82 WeakPolarHBondContact O-CA 3.34Å; T79-H82 PolarHBondContact O-N 2.76Å; L80-H82 VanDerWaalsContact C-N 3.34Å; H82-D84 VanDerWaalsContact C-N 3.29Å; H82-D84 PolarHBondContact O-N 3.42Å; H82-I85 WeakPolarHBondContact O-CA 3.12Å; H82-I85 VanDerWaalsContact O-CB 3.26Å; H82-I85 WeakPolarHBondContact O-CB 3.49Å; H82-I85 PolarHBondContact O-N 2.85Å; H82-V86 PolarHBondContact O-N 2.98Å; H82-V86 VanDerWaalsContact O-N 3.12Å; H82-V108 PolarHBondContact NE2-O 3.36Å; H82-G111 VanDerWaalsContact NE2-CA 3.33Å; H82-G111 WeakPolarHBondContact NE2-CA 3.44Å; H82-D112 IonicContact CE1-OD1 2.91Å; H82-D112 PolarHBondContact NE2-N 3.47Å; H82-D112 IonicContact NE2-OD1 3.68Å
83D93.9Very high93.6Very high33 Ų3343.7 Ų43.718%0.17622%0.215CC..Hα-helixtrans-59.8-42175.7-59.3-20.3000110.4T79 I85 V86 D87T79-D83 PolarHBondContact O-N 3.12Å; D83-I85 PolarHBondContact O-N 2.74Å; D83-V86 PolarHBondContact O-N 3.43Å; D83-D87 WeakPolarHBondContact O-CB 3.48Å; D83-D87 PolarHBondContact O-N 3.19Å
84D94.8Very high93.1Very high2 Ų246.7 Ų46.71%0.01125%0.247CC..Hα-helixtrans-58.8-24.9176-74.3-29.4000112.7L80 H82 E88 S89 R92 T97 R99L80-D84 WeakPolarHBondContact O-CB 3.5Å; L80-D84 PolarHBondContact O-N 3.12Å; H82-D84 VanDerWaalsContact C-N 3.29Å; H82-D84 PolarHBondContact O-N 3.42Å; D84-E88 PolarHBondContact O-N 3.07Å; D84-S89 PolarHBondContact O-N 3.31Å; D84-S89 WeakPolarHBondContact OD1-CB 3.44Å; D84-R92 IonicContact OD1-CZ 2.65Å; D84-R92 IonicContact OD1-NE 2.91Å; D84-R92 PolarHBondContact OD1-NE 2.97Å; D84-R92 IonicContact OD1-NH2 3.65Å; D84-R92 PolarHBondContact OD1-NH2 2.84Å; D84-R92 IonicContact OD2-NE 2.7Å; D84-T97 HydrophobicContact CB-CG2 3.94Å; D84-T97 VanDerWaalsContact CG-CG2 3.45Å; D84-T97 VanDerWaalsContact OD2-CG2 3.29Å; D84-T97 WeakPolarHBondContact OD2-CG2 3.47Å; D84-R99 HydrophobicContact CB-CG 4.36Å; D84-R99 WeakPolarHBondContact O-CD 3.4Å; D84-R99 WeakPolarHBondContact O-CG 3.43Å
85I95.8Very high92.8Very high29 Ų2950 Ų5015%0.14927%0.265CS..Hα-helixtrans-78.1-47.7173.3-56.8165.1000110.5I81 H82 D83 D87 E88 R99 N104 A107 V108I81-I85 WeakPolarHBondContact O-CG1 3.43Å; H82-I85 WeakPolarHBondContact O-CA 3.12Å; H82-I85 VanDerWaalsContact O-CB 3.26Å; H82-I85 WeakPolarHBondContact O-CB 3.49Å; H82-I85 PolarHBondContact O-N 2.85Å; D83-I85 PolarHBondContact O-N 2.74Å; I85-D87 VanDerWaalsContact C-N 3.33Å; I85-E88 PolarHBondContact O-N 2.81Å; I85-R99 HydrophobicContact CG1-CB 4.12Å; I85-N104 HydrophobicContact CG2-CB 4.07Å; I85-A107 HydrophobicContact CD1-CB 3.55Å; I85-A107 HydrophobicContact CG1-CB 3.64Å; I85-V108 HydrophobicContact CD1-CB 4.4Å; I85-V108 HydrophobicContact CD1-CG2 3.66Å
86V91.2Very high92.8Very high68 Ų6853.5 Ų53.541%0.41229%0.288SS..Hα-helixtrans-65.6-38.3-177.4178.30000111.4H82 D83 M150H82-V86 PolarHBondContact O-N 2.98Å; H82-V86 VanDerWaalsContact O-N 3.12Å; D83-V86 PolarHBondContact O-N 3.43Å; V86-M150 HydrophobicContact CG1-CE 4.33Å; V86-M150 HydrophobicContact CG1-SD 4.43Å
87D88.9Confident92.8Very high86 Ų8652.6 Ų52.646%0.4628%0.284SS..THydrogen-bonded Turntrans-92.82.9-177.4-61.9-25.8000113.1D83 I85 S89 R153D83-D87 WeakPolarHBondContact O-CB 3.48Å; D83-D87 PolarHBondContact O-N 3.19Å; I85-D87 VanDerWaalsContact C-N 3.33Å; D87-S89 PolarHBondContact O-N 3.39Å; D87-S89 VanDerWaalsContact O-N 3.11Å; D87-R153 IonicContact OD1-NH2 3.24Å; D87-R153 PolarHBondContact OD1-NH2 3.19Å
88E90.5Very high92.9Very high145 Ų14552.9 Ų52.968%0.67829%0.285SS*.THydrogen-bonded Turntrans52.533-177.4-57.9-177.2166.300113D84 I85 E90D84-E88 PolarHBondContact O-N 3.07Å; I85-E88 PolarHBondContact O-N 2.81Å; E88-E90 PolarHBondContact O-N 3.31Å
89S91.1Very high92.9Very high25 Ų2554.6 Ų54.618%0.17529%0.291CS..  trans-67131.2-174.4-760000111.7D84 D87 T97 R99D84-S89 PolarHBondContact O-N 3.31Å; D84-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact O-N 3.39Å; D87-S89 VanDerWaalsContact O-N 3.11Å; S89-T97 WeakPolarHBondContact O-CB 3.19Å; S89-T97 VanDerWaalsContact O-CG2 3.31Å; S89-T97 WeakPolarHBondContact O-CG2 3.36Å; S89-T97 PolarHBondContact O-OG1 3.02Å; S89-R99 PolarHBondContact O-NH1 3.3Å
90E93.2Very high93Very high108 Ų10855 Ų5551%0.50529%0.294SS..SBendtrans-86.4-33.8175.3-68.5-62144.200112.3E88 P96 T97 R99 S100E88-E90 PolarHBondContact O-N 3.31Å; E90-P96 WeakPolarHBondContact O-CA 3.47Å; E90-T97 PolarHBondContact O-N 3.09Å; E90-T97 PolarHBondContact O-OG1 3.17Å; E90-R99 VanDerWaalsContact CD-NH1 3.29Å; E90-R99 IonicContact OE1-CZ 3.63Å; E90-R99 IonicContact OE1-NH1 3.69Å; E90-R99 PolarHBondContact OE1-NH1 3.41Å; E90-R99 IonicContact OE1-NH2 3.96Å; E90-R99 IonicContact OE2-NH1 2.63Å; E90-S100 PolarHBondContact O-OG 3.24Å; E90-S100 WeakPolarHBondContact OE2-CB 3.26Å
91L92.4Very high93.1Very high112 Ų11257.8 Ų57.859%0.58631%0.313SS*.EExtended strand (participates in β ladder)trans-129.1139.2-176.2-60.4175.8000112.2L95L91-L95 CarbonylContact C-O 3.5Å; L91-L95 VanDerWaalsContact CA-O 3.25Å; L91-L95 WeakPolarHBondContact CA-O 3.39Å
92R91.2Very high93.2Very high79 Ų7960.8 Ų60.830%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-131.8128.9167.5-171.6120.4-51.2-106.41.1109.6D84 G94 L95 T97D84-R92 IonicContact OD1-CZ 2.65Å; D84-R92 IonicContact OD1-NE 2.91Å; D84-R92 PolarHBondContact OD1-NE 2.97Å; D84-R92 IonicContact OD1-NH2 3.65Å; D84-R92 PolarHBondContact OD1-NH2 2.84Å; D84-R92 IonicContact OD2-NE 2.7Å; R92-G94 PolarHBondContact O-N 3.34Å; R92-G94 VanDerWaalsContact O-N 3.1Å; R92-L95 PolarHBondContact N-O 3.29Å; R92-L95 PolarHBondContact O-N 3.27Å; R92-T97 HydrophobicContact CB-CG2 3.99Å
93R85.9Confident93.3Very high84 Ų8459.4 Ų59.432%0.31733%0.328SS..THydrogen-bonded Turntrans53.433.4178.9-62.8152.3173.2-159.3-2.2112.8M37 A40 G41 L95M37-R93 PolarHBondContact O-NH1 3.17Å; A40-R93 HydrophobicContact CB-CB 4.1Å; G41-R93 WeakPolarHBondContact O-CD 3.46Å; G41-R93 PolarHBondContact O-NE 3.42Å; G41-R93 PolarHBondContact O-NH1 3.24Å; R93-L95 VanDerWaalsContact C-N 3.26Å; R93-L95 PolarHBondContact O-N 3.11Å
94G86.4Confident93.5Very high68 Ų6861.3 Ų61.370%0.70134%0.338SS*.THydrogen-bonded Turntrans78.90.3-178.600000115.3R92R92-G94 PolarHBondContact O-N 3.34Å; R92-G94 VanDerWaalsContact O-N 3.1Å
95L90.3Very high93.6Very high70 Ų7067.4 Ų67.437%0.36637%0.37SS..EExtended strand (participates in β ladder)trans-105.5151.8175.6-62.9-173.2000111.5D36 A40 L91 R92 R93 T97D36-L95 HydrophobicContact CB-CD1 4.12Å; A40-L95 HydrophobicContact CB-CD1 3.55Å; A40-L95 HydrophobicContact CB-CG 4.17Å; L91-L95 CarbonylContact C-O 3.5Å; L91-L95 VanDerWaalsContact CA-O 3.25Å; L91-L95 WeakPolarHBondContact CA-O 3.39Å; R92-L95 PolarHBondContact N-O 3.29Å; R92-L95 PolarHBondContact O-N 3.27Å; R93-L95 VanDerWaalsContact C-N 3.26Å; R93-L95 PolarHBondContact O-N 3.11Å; L95-T97 PolarHBondContact O-N 2.87Å
96P94.7Very high93.7Very high81 Ų8167.9 Ų67.953%0.52637%0.374SS..EExtended strand (participates in β ladder)trans-54.5132.6166-24.134.9000111.5E90E90-P96 WeakPolarHBondContact O-CA 3.47Å
97T96Very high94Very high3 Ų364.6 Ų64.62%0.01836%0.355CS..  trans-63.9156.7172.8570000111.3D84 S89 E90 R92 L95 R99 S100 T101D84-T97 HydrophobicContact CB-CG2 3.94Å; D84-T97 VanDerWaalsContact CG-CG2 3.45Å; D84-T97 VanDerWaalsContact OD2-CG2 3.29Å; D84-T97 WeakPolarHBondContact OD2-CG2 3.47Å; S89-T97 WeakPolarHBondContact O-CB 3.19Å; S89-T97 VanDerWaalsContact O-CG2 3.31Å; S89-T97 WeakPolarHBondContact O-CG2 3.36Å; S89-T97 PolarHBondContact O-OG1 3.02Å; E90-T97 PolarHBondContact O-N 3.09Å; E90-T97 PolarHBondContact O-OG1 3.17Å; R92-T97 HydrophobicContact CB-CG2 3.99Å; L95-T97 PolarHBondContact O-N 2.87Å; T97-R99 PolarHBondContact O-N 2.79Å; T97-R99 WeakPolarHBondContact OG1-CG 3.33Å; T97-S100 PolarHBondContact N-OG 3.41Å; T97-S100 VanDerWaalsContact N-OG 3.12Å; T97-S100 PolarHBondContact O-N 2.99Å; T97-S100 PolarHBondContact O-OG 3.47Å; T97-S100 WeakPolarHBondContact OG1-CB 2.92Å; T97-S100 PolarHBondContact OG1-N 3.1Å; T97-S100 PolarHBondContact OG1-OG 2.93Å; T97-T101 PolarHBondContact O-N 3.33Å; T97-T101 VanDerWaalsContact O-N 3.16Å; T97-T101 PolarHBondContact O-OG1 3.05Å; T97-T101 VanDerWaalsContact O-OG1 3.14Å
98I96.6Very high94.4Very high6 Ų663.2 Ų63.23%0.03135%0.349CS..Hα-helixtrans-60.4-37175.2-61.9-179.2000110.1A33 V34 I81 T101 F102 T106 A107 A110A33-I98 HydrophobicContact CB-CG1 4.17Å; V34-I98 HydrophobicContact CG2-CD1 3.66Å; I81-I98 HydrophobicContact CD1-CD1 3.79Å; I81-I98 HydrophobicContact CG1-CD1 4.16Å; I81-I98 HydrophobicContact CG2-CD1 4.46Å; I98-T101 PolarHBondContact O-N 2.95Å; I98-F102 HydrophobicContact CG2-CD2 4.01Å; I98-F102 PolarHBondContact O-N 3.46Å; I98-T106 HydrophobicContact CG2-CG2 4.43Å; I98-A107 HydrophobicContact CB-CB 4.33Å; I98-A107 HydrophobicContact CG2-CB 4.06Å; I98-A110 HydrophobicContact CD1-CB 3.81Å; I98-A110 HydrophobicContact CG2-CB 4.15Å
99R96.9Very high94.8Very high40 Ų4064.4 Ų64.415%0.15135%0.349CS..Hα-helixtrans-68.2-37179.576.4114.6-53.3-99.52.9113.2D84 I85 S89 E90 T97 T101 G103 N104 A107D84-R99 HydrophobicContact CB-CG 4.36Å; D84-R99 WeakPolarHBondContact O-CD 3.4Å; D84-R99 WeakPolarHBondContact O-CG 3.43Å; I85-R99 HydrophobicContact CG1-CB 4.12Å; S89-R99 PolarHBondContact O-NH1 3.3Å; E90-R99 VanDerWaalsContact CD-NH1 3.29Å; E90-R99 IonicContact OE1-CZ 3.63Å; E90-R99 IonicContact OE1-NH1 3.69Å; E90-R99 PolarHBondContact OE1-NH1 3.41Å; E90-R99 IonicContact OE1-NH2 3.96Å; E90-R99 IonicContact OE2-NH1 2.63Å; T97-R99 PolarHBondContact O-N 2.79Å; T97-R99 WeakPolarHBondContact OG1-CG 3.33Å; R99-T101 VanDerWaalsContact C-N 3.34Å; R99-G103 CarbonylContact O-C 3.57Å; R99-G103 WeakPolarHBondContact O-CA 3.43Å; R99-G103 PolarHBondContact O-N 2.96Å; R99-N104 PolarHBondContact NE-OD1 3.07Å; R99-A107 HydrophobicContact CB-CB 3.66Å
100S96.8Very high95.1Very high33 Ų3363.2 Ų63.223%0.23134%0.34CS..Hα-helixtrans-68.6-35.6175.459.40000111.9E90 T97E90-S100 PolarHBondContact O-OG 3.24Å; E90-S100 WeakPolarHBondContact OE2-CB 3.26Å; T97-S100 PolarHBondContact N-OG 3.41Å; T97-S100 VanDerWaalsContact N-OG 3.12Å; T97-S100 PolarHBondContact O-N 2.99Å; T97-S100 PolarHBondContact O-OG 3.47Å; T97-S100 WeakPolarHBondContact OG1-CB 2.92Å; T97-S100 PolarHBondContact OG1-N 3.1Å; T97-S100 PolarHBondContact OG1-OG 2.93Å
101T97.4Very high95.3Very high79 Ų7958.1 Ų58.149%0.48532%0.316SS..Hα-helixtrans-82.6-39.1-176.8-54.10000113T97 I98 R99T97-T101 PolarHBondContact O-N 3.33Å; T97-T101 VanDerWaalsContact O-N 3.16Å; T97-T101 PolarHBondContact O-OG1 3.05Å; T97-T101 VanDerWaalsContact O-OG1 3.14Å; I98-T101 PolarHBondContact O-N 2.95Å; R99-T101 VanDerWaalsContact C-N 3.34Å
102F97.4Very high95.5Very high67 Ų6756.1 Ų56.129%0.29431%0.306SS..Hα-helixtrans-125.42.5-169.7-56.5-77.4000114.7K29 A33 I98 T106K29-F102 HydrophobicContact CB-CE1 3.9Å; K29-F102 HydrophobicContact CB-CZ 4.08Å; A33-F102 HydrophobicContact CB-CD2 4.47Å; A33-F102 HydrophobicContact CB-CE2 3.59Å; A33-F102 HydrophobicContact CB-CZ 4.33Å; I98-F102 HydrophobicContact CG2-CD2 4.01Å; I98-F102 PolarHBondContact O-N 3.46Å; F102-T106 HydrophobicContact CB-CG2 3.53Å; F102-T106 HydrophobicContact CG-CG2 4.11Å; F102-T106 WeakPolarHBondContact O-CB 3.46Å; F102-T106 PolarHBondContact O-OG1 3.43Å
103G97.5Very high95.8Very high30 Ų3054.5 Ų54.531%0.30930%0.301SS..Hα-helixtrans80.3169.5-176.500000113.8R99 D105 T106 A107R99-G103 CarbonylContact O-C 3.57Å; R99-G103 WeakPolarHBondContact O-CA 3.43Å; R99-G103 PolarHBondContact O-N 2.96Å; G103-D105 PolarHBondContact O-N 3.05Å; G103-T106 PolarHBondContact O-N 3.23Å; G103-A107 PolarHBondContact O-N 3.4Å
104N97.8Very high96.4Very high73 Ų7350.5 Ų50.539%0.3929%0.286SS..Hα-helixtrans-64.7-42.9-172.8-66.51.3000112.2I85 R99 T106 A107 V108I85-N104 HydrophobicContact CG2-CB 4.07Å; R99-N104 PolarHBondContact NE-OD1 3.07Å; N104-T106 VanDerWaalsContact C-N 3.3Å; N104-T106 PolarHBondContact O-N 3.07Å; N104-A107 WeakPolarHBondContact O-CB 3.13Å; N104-A107 PolarHBondContact O-N 3Å; N104-V108 WeakPolarHBondContact O-CG2 3.32Å; N104-V108 PolarHBondContact O-N 3.46Å
105D97.7Very high96.8Very high130 Ų13050.7 Ų50.770%0.69527%0.267SS*.Hα-helixtrans-55.4-45.3-179.7-60.9-7.2000112.1G103 A107 Y109G103-D105 PolarHBondContact O-N 3.05Å; D105-A107 VanDerWaalsContact C-N 3.35Å; D105-Y109 WeakPolarHBondContact O-CD2 3.4Å; D105-Y109 PolarHBondContact O-N 3.14Å
106T97.8Very high97.1Very high38 Ų3852.6 Ų52.623%0.23328%0.276CS..Hα-helixtrans-67.7-37.9178.9-55.50000111.6V30 I98 F102 G103 N104 Y109 A110V30-T106 HydrophobicContact CB-CG2 4.42Å; V30-T106 HydrophobicContact CG1-CG2 4.15Å; V30-T106 HydrophobicContact CG2-CG2 3.34Å; I98-T106 HydrophobicContact CG2-CG2 4.43Å; F102-T106 HydrophobicContact CB-CG2 3.53Å; F102-T106 HydrophobicContact CG-CG2 4.11Å; F102-T106 WeakPolarHBondContact O-CB 3.46Å; F102-T106 PolarHBondContact O-OG1 3.43Å; G103-T106 PolarHBondContact O-N 3.23Å; N104-T106 VanDerWaalsContact C-N 3.3Å; N104-T106 PolarHBondContact O-N 3.07Å; T106-Y109 PolarHBondContact O-N 3.38Å; T106-A110 WeakPolarHBondContact O-CB 3.07Å; T106-A110 PolarHBondContact O-N 3.33Å
107A97.6Very high97.2Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-67.2-40.6178.800000112I81 I85 I98 R99 G103 N104 D105 Y109 A110 G111I81-A107 HydrophobicContact CG2-CB 4.31Å; I81-A107 WeakPolarHBondContact CG2-O 3Å; I85-A107 HydrophobicContact CD1-CB 3.55Å; I85-A107 HydrophobicContact CG1-CB 3.64Å; I98-A107 HydrophobicContact CB-CB 4.33Å; I98-A107 HydrophobicContact CG2-CB 4.06Å; R99-A107 HydrophobicContact CB-CB 3.66Å; G103-A107 PolarHBondContact O-N 3.4Å; N104-A107 WeakPolarHBondContact O-CB 3.13Å; N104-A107 PolarHBondContact O-N 3Å; D105-A107 VanDerWaalsContact C-N 3.35Å; A107-Y109 PolarHBondContact O-N 3.45Å; A107-A110 PolarHBondContact O-N 3.37Å; A107-A110 VanDerWaalsContact O-N 3.16Å; A107-G111 PolarHBondContact O-N 3.33Å
108V98.1Very high97.2Very high57 Ų5748.8 Ų48.835%0.34525%0.252SS..Hα-helixtrans-56.2-51.7172.51750000109.8H82 I85 N104 A110 G111 D112H82-V108 PolarHBondContact NE2-O 3.36Å; I85-V108 HydrophobicContact CD1-CB 4.4Å; I85-V108 HydrophobicContact CD1-CG2 3.66Å; N104-V108 WeakPolarHBondContact O-CG2 3.32Å; N104-V108 PolarHBondContact O-N 3.46Å; V108-A110 VanDerWaalsContact C-N 3.26Å; V108-A110 PolarHBondContact O-N 2.77Å; V108-G111 PolarHBondContact O-N 2.94Å; V108-D112 WeakPolarHBondContact O-CB 3.3Å; V108-D112 PolarHBondContact O-N 3.28Å
109Y97.8Very high97Very high170 Ų17052.5 Ų52.567%0.66727%0.268SS*.Hα-helixtrans-63.6-30.5179.1-65.9-43.4000113.7D105 T106 A107 Y113D105-Y109 WeakPolarHBondContact O-CD2 3.4Å; D105-Y109 PolarHBondContact O-N 3.14Å; T106-Y109 PolarHBondContact O-N 3.38Å; A107-Y109 PolarHBondContact O-N 3.45Å; Y109-Y113 WeakPolarHBondContact O-CB 3.46Å; Y109-Y113 PolarHBondContact O-N 3.05Å
110A97.7Very high97Very high0 Ų056.3 Ų56.30%029%0.286CS..Hα-helixtrans-70.1-43.5176.300000111.8V30 V34 I81 I98 T106 A107 V108 Y113 L114V30-A110 HydrophobicContact CG1-CB 4.04Å; V34-A110 HydrophobicContact CG2-CB 3.99Å; I81-A110 HydrophobicContact CD1-CB 4.48Å; I81-A110 HydrophobicContact CG2-CB 4.38Å; I98-A110 HydrophobicContact CD1-CB 3.81Å; I98-A110 HydrophobicContact CG2-CB 4.15Å; T106-A110 WeakPolarHBondContact O-CB 3.07Å; T106-A110 PolarHBondContact O-N 3.33Å; A107-A110 PolarHBondContact O-N 3.37Å; A107-A110 VanDerWaalsContact O-N 3.16Å; V108-A110 VanDerWaalsContact C-N 3.26Å; V108-A110 PolarHBondContact O-N 2.77Å; A110-Y113 PolarHBondContact O-N 3.14Å; A110-L114 PolarHBondContact O-N 3.05Å; A110-L114 VanDerWaalsContact O-N 3.14Å
111G97Very high96.9Very high0 Ų055.1 Ų55.10%028%0.276CS..Hα-helixtrans-65.9-45.9175.100000112.1A78 H82 A107 V108 Y113 L114 F115A78-G111 WeakPolarHBondContact CB-O 3.42Å; H82-G111 VanDerWaalsContact NE2-CA 3.33Å; H82-G111 WeakPolarHBondContact NE2-CA 3.44Å; A107-G111 PolarHBondContact O-N 3.33Å; V108-G111 PolarHBondContact O-N 2.94Å; G111-Y113 VanDerWaalsContact C-N 3.25Å; G111-Y113 PolarHBondContact O-N 2.89Å; G111-L114 PolarHBondContact O-N 3.27Å; G111-L114 VanDerWaalsContact O-N 3.11Å; G111-F115 PolarHBondContact O-N 3.28Å
112D97.3Very high96.8Very high70 Ų7051.4 Ų51.437%0.37425%0.254SS..Hα-helixtrans-55.8-40.5172.8-76.1-17.8000112.2H82 V108 F115 I116H82-D112 IonicContact CE1-OD1 2.91Å; H82-D112 PolarHBondContact NE2-N 3.47Å; H82-D112 IonicContact NE2-OD1 3.68Å; V108-D112 WeakPolarHBondContact O-CB 3.3Å; V108-D112 PolarHBondContact O-N 3.28Å; D112-F115 WeakPolarHBondContact O-CB 3.41Å; D112-F115 PolarHBondContact O-N 3.45Å; D112-I116 WeakPolarHBondContact O-CG1 3.17Å; D112-I116 PolarHBondContact O-N 2.8Å
113Y97.7Very high96.6Very high46 Ų4651.9 Ų51.918%0.1827%0.266CS..Hα-helixtrans-64.3-42.2177.8-179.4-94.4000112.3V23 K24 L25 Y109 A110 G111 F115 I116 C117V23-Y113 HydrophobicContact CB-CE1 4.41Å; V23-Y113 HydrophobicContact CG1-CE1 4.09Å; V23-Y113 HydrophobicContact CG2-CE1 4.39Å; K24-Y113 WeakPolarHBondContact CA-OH 3.47Å; K24-Y113 PolarHBondContact N-OH 3.31Å; K24-Y113 PolarHBondContact O-OH 3Å; L25-Y113 HydrophobicContact CD1-CD1 3.82Å; L25-Y113 HydrophobicContact CD1-CE1 4Å; L25-Y113 HydrophobicContact CD1-CG 4.28Å; L25-Y113 HydrophobicContact CD2-CD1 3.9Å; L25-Y113 HydrophobicContact CD2-CD2 3.46Å; L25-Y113 VanDerWaalsContact CD2-CD2 3.46Å; L25-Y113 HydrophobicContact CD2-CE1 4.16Å; L25-Y113 HydrophobicContact CD2-CE2 3.74Å; L25-Y113 HydrophobicContact CD2-CG 3.55Å; L25-Y113 HydrophobicContact CG-CD1 3.76Å; L25-Y113 HydrophobicContact CG-CD2 4.06Å; L25-Y113 HydrophobicContact CG-CE1 3.66Å; L25-Y113 HydrophobicContact CG-CE2 3.95Å; L25-Y113 HydrophobicContact CG-CG 3.96Å; Y109-Y113 WeakPolarHBondContact O-CB 3.46Å; Y109-Y113 PolarHBondContact O-N 3.05Å; A110-Y113 PolarHBondContact O-N 3.14Å; G111-Y113 VanDerWaalsContact C-N 3.25Å; G111-Y113 PolarHBondContact O-N 2.89Å; Y113-F115 VanDerWaalsContact C-N 3.29Å; Y113-F115 PolarHBondContact O-N 3.23Å; Y113-I116 WeakPolarHBondContact O-CB 3.19Å; Y113-I116 PolarHBondContact O-N 2.87Å; Y113-C117 WeakPolarHBondContact CE1-SG 3.36Å; Y113-C117 PolarHBondContact O-N 2.75Å; Y113-C117 PolarHBondContact O-SG 2.92Å
114L97.3Very high96.5Very high0 Ų055.4 Ų55.40%028%0.277CS..Hα-helixtrans-65.4-34.9173.9-71.8-172.9000111.9V23 V34 I38 M74 T77 A78 I81 A110 G111 C117 C118V23-L114 HydrophobicContact CG2-CD2 3.83Å; V34-L114 HydrophobicContact CG1-CD1 4.22Å; V34-L114 HydrophobicContact CG1-CD2 3.7Å; V34-L114 HydrophobicContact CG1-CG 4.15Å; I38-L114 HydrophobicContact CD1-CD2 4.5Å; M74-L114 HydrophobicContact CE-CD2 3.86Å; T77-L114 HydrophobicContact CG2-CD1 3.49Å; T77-L114 VanDerWaalsContact CG2-CD1 3.49Å; A78-L114 HydrophobicContact CB-CB 3.78Å; I81-L114 HydrophobicContact CD1-CD1 3.53Å; I81-L114 HydrophobicContact CD1-CG 4.41Å; A110-L114 PolarHBondContact O-N 3.05Å; A110-L114 VanDerWaalsContact O-N 3.14Å; G111-L114 PolarHBondContact O-N 3.27Å; G111-L114 VanDerWaalsContact O-N 3.11Å; L114-C117 WeakPolarHBondContact O-CB 3.32Å; L114-C117 PolarHBondContact O-N 2.96Å; L114-C118 PolarHBondContact O-N 3.47Å
115F95.3Very high96.4Very high72 Ų7254.6 Ų54.632%0.31627%0.269SS..Hα-helixtrans-62.3-41.8172.8-162.8-126.9000111.7L75 G111 D112 Y113 C117 C118 F119 M139L75-F115 HydrophobicContact CD1-CD2 3.6Å; L75-F115 HydrophobicContact CD1-CE2 3.57Å; G111-F115 PolarHBondContact O-N 3.28Å; D112-F115 WeakPolarHBondContact O-CB 3.41Å; D112-F115 PolarHBondContact O-N 3.45Å; Y113-F115 VanDerWaalsContact C-N 3.29Å; Y113-F115 PolarHBondContact O-N 3.23Å; F115-C117 PolarHBondContact O-N 3.26Å; F115-C118 WeakPolarHBondContact O-CB 3.38Å; F115-C118 PolarHBondContact O-N 2.91Å; F115-F119 HydrophobicContact CD1-CD2 4.2Å; F115-F119 AromaticContact CD1-CE2 3.65Å; F115-F119 HydrophobicContact CD1-CE2 3.65Å; F115-F119 HydrophobicContact CD2-CE2 4.29Å; F115-F119 HydrophobicContact CE1-CD2 4.27Å; F115-F119 AromaticContact CE1-CE2 3.3Å; F115-F119 HydrophobicContact CE1-CE2 3.3Å; F115-F119 AromaticContact CE1-CZ 4Å; F115-F119 HydrophobicContact CE1-CZ 4Å; F115-F119 AromaticContact CE2-CE2 3.94Å; F115-F119 HydrophobicContact CE2-CE2 3.94Å; F115-F119 HydrophobicContact CE2-CZ 4.26Å; F115-F119 HydrophobicContact CG-CD2 4.46Å; F115-F119 HydrophobicContact CG-CE2 4.15Å; F115-F119 AromaticContact CZ-CE2 3.43Å; F115-F119 HydrophobicContact CZ-CE2 3.43Å; F115-F119 VanDerWaalsContact CZ-CE2 3.43Å; F115-F119 AromaticContact CZ-CZ 3.71Å; F115-F119 HydrophobicContact CZ-CZ 3.71Å; F115-F119 VanDerWaalsContact O-CD2 3.28Å; F115-F119 WeakPolarHBondContact O-CD2 3.26Å; F115-F119 PolarHBondContact O-N 2.99Å; F115-M139 HydrophobicContact CE2-SD 4.08Å; F115-M139 HydrophobicContact CZ-SD 4.26Å
116I96.1Very high96.1Very high109 Ų10949.4 Ų49.456%0.55924%0.243SC*.Hα-helixtrans-61.7-42.7171.8-67.7164.7000111.2D112 Y113 C118 F119 K120D112-I116 WeakPolarHBondContact O-CG1 3.17Å; D112-I116 PolarHBondContact O-N 2.8Å; Y113-I116 WeakPolarHBondContact O-CB 3.19Å; Y113-I116 PolarHBondContact O-N 2.87Å; I116-C118 VanDerWaalsContact C-N 3.34Å; I116-C118 PolarHBondContact O-N 2.7Å; I116-F119 PolarHBondContact O-N 2.73Å; I116-K120 WeakPolarHBondContact O-CB 3.28Å; I116-K120 PolarHBondContact O-N 2.91Å
117C96.7Very high95.8Very high4 Ų450.9 Ų50.93%0.02725%0.252CS..Hα-helixtrans-62.5-41.6177.6-65.70000112V22 M74 Y113 L114 F115 K120 L121V22-C117 HydrophobicContact CG1-CB 3.67Å; M74-C117 HydrophobicContact CE-CB 3.4Å; M74-C117 VanDerWaalsContact CE-CB 3.4Å; M74-C117 HydrophobicContact SD-CB 3.49Å; M74-C117 WeakPolarHBondContact SD-CB 3.27Å; Y113-C117 WeakPolarHBondContact CE1-SG 3.36Å; Y113-C117 PolarHBondContact O-N 2.75Å; Y113-C117 PolarHBondContact O-SG 2.92Å; L114-C117 WeakPolarHBondContact O-CB 3.32Å; L114-C117 PolarHBondContact O-N 2.96Å; F115-C117 PolarHBondContact O-N 3.26Å; C117-K120 PolarHBondContact O-N 3.16Å; C117-L121 PolarHBondContact O-N 3.42Å; C117-L121 VanDerWaalsContact O-N 3.08Å
118C96Very high95.4Very high0 Ų052.9 Ų52.90%027%0.266CS..Hα-helixtrans-55.2-53.7172175.30000110.9S71 M74 L75 L114 F115 I116 K120 L121 L122S71-C118 WeakPolarHBondContact O-CB 3.47Å; S71-C118 PolarHBondContact O-SG 3.04Å; M74-C118 HydrophobicContact CB-CB 4.39Å; L75-C118 HydrophobicContact CB-CB 4.41Å; L114-C118 PolarHBondContact O-N 3.47Å; F115-C118 WeakPolarHBondContact O-CB 3.38Å; F115-C118 PolarHBondContact O-N 2.91Å; I116-C118 VanDerWaalsContact C-N 3.34Å; I116-C118 PolarHBondContact O-N 2.7Å; C118-K120 VanDerWaalsContact C-N 3.33Å; C118-K120 PolarHBondContact O-N 3.12Å; C118-L121 PolarHBondContact O-N 3.45Å; C118-L122 WeakPolarHBondContact O-CG 3.16Å; C118-L122 PolarHBondContact O-N 2.97Å
119F93.9Very high95Very high85 Ų8556 Ų5637%0.37328%0.28SS..Hα-helixtrans-62.7-37.2179.7-80.1-61.4000113.9F115 I116 L122 S123 M139F115-F119 HydrophobicContact CD1-CD2 4.2Å; F115-F119 AromaticContact CD1-CE2 3.65Å; F115-F119 HydrophobicContact CD1-CE2 3.65Å; F115-F119 HydrophobicContact CD2-CE2 4.29Å; F115-F119 HydrophobicContact CE1-CD2 4.27Å; F115-F119 AromaticContact CE1-CE2 3.3Å; F115-F119 HydrophobicContact CE1-CE2 3.3Å; F115-F119 AromaticContact CE1-CZ 4Å; F115-F119 HydrophobicContact CE1-CZ 4Å; F115-F119 AromaticContact CE2-CE2 3.94Å; F115-F119 HydrophobicContact CE2-CE2 3.94Å; F115-F119 HydrophobicContact CE2-CZ 4.26Å; F115-F119 HydrophobicContact CG-CD2 4.46Å; F115-F119 HydrophobicContact CG-CE2 4.15Å; F115-F119 AromaticContact CZ-CE2 3.43Å; F115-F119 HydrophobicContact CZ-CE2 3.43Å; F115-F119 VanDerWaalsContact CZ-CE2 3.43Å; F115-F119 AromaticContact CZ-CZ 3.71Å; F115-F119 HydrophobicContact CZ-CZ 3.71Å; F115-F119 VanDerWaalsContact O-CD2 3.28Å; F115-F119 WeakPolarHBondContact O-CD2 3.26Å; F115-F119 PolarHBondContact O-N 2.99Å; I116-F119 PolarHBondContact O-N 2.73Å; F119-L122 PolarHBondContact O-N 2.94Å; F119-S123 VanDerWaalsContact O-CB 3.24Å; F119-S123 WeakPolarHBondContact O-CB 3.4Å; F119-S123 PolarHBondContact O-N 2.99Å; F119-M139 HydrophobicContact CE1-CE 4.04Å; F119-M139 HydrophobicContact CE1-SD 3.77Å; F119-M139 HydrophobicContact CZ-CE 4.34Å; F119-M139 HydrophobicContact CZ-SD 3.64Å
120K95.2Very high94.5Very high120 Ų12052.1 Ų52.152%0.52227%0.267SS..Hα-helixtrans-59.8-49.1176-175.1-177.1173.6-172.10110.5I116 C117 C118 S123 D124I116-K120 WeakPolarHBondContact O-CB 3.28Å; I116-K120 PolarHBondContact O-N 2.91Å; C117-K120 PolarHBondContact O-N 3.16Å; C118-K120 VanDerWaalsContact C-N 3.33Å; C118-K120 PolarHBondContact O-N 3.12Å; K120-S123 PolarHBondContact O-N 3.4Å; K120-D124 WeakPolarHBondContact O-CB 3.28Å; K120-D124 PolarHBondContact O-N 3.14Å
121L96.1Very high94.1Very high7 Ų752.2 Ų52.24%0.03727%0.268CS..Hα-helixtrans-64.7-42.7177.6-73.8173.6000112.4V22 A70 M74 C117 C118 S123 D124 Y125V22-L121 HydrophobicContact CG2-CD1 4.19Å; V22-L121 HydrophobicContact CG2-CD2 3.88Å; V22-L121 HydrophobicContact CG2-CG 4.17Å; A70-L121 HydrophobicContact CB-CD1 4.01Å; M74-L121 HydrophobicContact SD-CD1 3.83Å; C117-L121 PolarHBondContact O-N 3.42Å; C117-L121 VanDerWaalsContact O-N 3.08Å; C118-L121 PolarHBondContact O-N 3.45Å; L121-S123 VanDerWaalsContact C-N 3.34Å; L121-S123 PolarHBondContact O-N 3.45Å; L121-D124 PolarHBondContact O-N 3.14Å; L121-Y125 HydrophobicContact CD2-CD2 4.23Å; L121-Y125 HydrophobicContact CD2-CE2 3.95Å; L121-Y125 WeakPolarHBondContact O-CD2 3.22Å; L121-Y125 PolarHBondContact O-N 3.24Å; L121-Y125 VanDerWaalsContact O-N 3.13Å
122L94.7Very high93.8Very high1 Ų154.8 Ų54.81%0.00528%0.281CS..Hα-helixtrans-60.2-45.5174.5-72176.5000111.1L68 S71 I72 C118 F119 D124 Y125 S126 L132 N135 M139L68-L122 HydrophobicContact CD2-CD2 3.89Å; S71-L122 VanDerWaalsContact OG-CD2 3.29Å; S71-L122 WeakPolarHBondContact OG-CD2 3.5Å; I72-L122 HydrophobicContact CD1-CD2 4.49Å; C118-L122 WeakPolarHBondContact O-CG 3.16Å; C118-L122 PolarHBondContact O-N 2.97Å; F119-L122 PolarHBondContact O-N 2.94Å; L122-D124 PolarHBondContact O-N 2.79Å; L122-Y125 PolarHBondContact O-N 2.75Å; L122-S126 WeakPolarHBondContact O-CA 3.36Å; L122-S126 WeakPolarHBondContact O-CB 3.43Å; L122-S126 PolarHBondContact O-N 2.93Å; L122-S126 PolarHBondContact O-OG 3.24Å; L122-S126 VanDerWaalsContact O-OG 3.09Å; L122-L132 HydrophobicContact CB-CD2 3.86Å; L122-N135 HydrophobicContact CD1-CB 4.38Å; L122-M139 HydrophobicContact CD1-CE 3.46Å; L122-M139 VanDerWaalsContact CD1-CE 3.46Å
123S93.9Very high93.4Very high78 Ų7855.9 Ų55.955%0.54528%0.284SS..Hα-helixtrans-65-38.3179.3-174.30000113F119 K120 L121F119-S123 VanDerWaalsContact O-CB 3.24Å; F119-S123 WeakPolarHBondContact O-CB 3.4Å; F119-S123 PolarHBondContact O-N 2.99Å; K120-S123 PolarHBondContact O-N 3.4Å; L121-S123 VanDerWaalsContact C-N 3.34Å; L121-S123 PolarHBondContact O-N 3.45Å
124D94.9Very high92.9Very high103 Ų10356.7 Ų56.755%0.55129%0.291SS*.Hα-helixtrans-74.3-28.4-177.2-73.1-15.7000112.4K120 L121 L122K120-D124 WeakPolarHBondContact O-CB 3.28Å; K120-D124 PolarHBondContact O-N 3.14Å; L121-D124 PolarHBondContact O-N 3.14Å; L122-D124 PolarHBondContact O-N 2.79Å
125Y95.4Very high92.6Very high56 Ų5656.9 Ų56.922%0.2229%0.292CS..Hα-helixtrans-119.7-11.4-170.2-68.4-80.1000115.4K63 K64 S67 L121 L122K63-Y125 WeakPolarHBondContact CE-OH 3.34Å; K63-Y125 HydrophobicContact CG-CE1 4.28Å; K64-Y125 HydrophobicContact CB-CD1 4.2Å; K64-Y125 VanDerWaalsContact CE-O 3.28Å; K64-Y125 WeakPolarHBondContact CE-O 3.46Å; K64-Y125 HydrophobicContact CG-CD1 4.3Å; S67-Y125 VanDerWaalsContact CB-CD2 3.45Å; S67-Y125 WeakPolarHBondContact OG-CE2 3.31Å; S67-Y125 VanDerWaalsContact OG-CZ 3.26Å; S67-Y125 PolarHBondContact OG-OH 3.25Å; L121-Y125 HydrophobicContact CD2-CD2 4.23Å; L121-Y125 HydrophobicContact CD2-CE2 3.95Å; L121-Y125 WeakPolarHBondContact O-CD2 3.22Å; L121-Y125 PolarHBondContact O-N 3.24Å; L121-Y125 VanDerWaalsContact O-N 3.13Å; L122-Y125 PolarHBondContact O-N 2.75Å
126S91.8Very high92.4Very high22 Ų2256.2 Ų56.215%0.15430%0.296CS..  trans-68.8137.1175.6-840000112.3L122 S128 E185L122-S126 WeakPolarHBondContact O-CA 3.36Å; L122-S126 WeakPolarHBondContact O-CB 3.43Å; L122-S126 PolarHBondContact O-N 2.93Å; L122-S126 PolarHBondContact O-OG 3.24Å; L122-S126 VanDerWaalsContact O-OG 3.09Å; S126-S128 VanDerWaalsContact C-N 3.3Å; S126-S128 PolarHBondContact O-N 3.49Å; S126-E185 VanDerWaalsContact CA-OE1 3.26Å; S126-E185 WeakPolarHBondContact CA-OE1 3.39Å; S126-E185 VanDerWaalsContact CB-OE1 3.25Å; S126-E185 WeakPolarHBondContact CB-OE1 3.47Å; S126-E185 PolarHBondContact OG-OE1 3.39Å
127T91Very high92.4Very high69 Ų6958.2 Ų58.242%0.42330%0.297SS..SBendtrans-68.7-25.4179.647.20000114.1E185T127-E185 VanDerWaalsContact CB-OE2 3.29Å; T127-E185 WeakPolarHBondContact CB-OE2 3.38Å; T127-E185 WeakPolarHBondContact CG2-OE2 3.46Å; T127-E185 PolarHBondContact N-OE2 2.97Å; T127-E185 PolarHBondContact OG1-OE2 3.36Å
128S89.8Confident92.3Very high42 Ų4258.8 Ų58.829%0.29430%0.301SS..  trans-158.7156.8-171.865.60000113.4S126 K130 S131 L132S126-S128 VanDerWaalsContact C-N 3.3Å; S126-S128 PolarHBondContact O-N 3.49Å; S128-K130 PolarHBondContact O-N 3.13Å; S128-S131 WeakPolarHBondContact O-CB 3.48Å; S128-S131 PolarHBondContact O-N 3.05Å; S128-S131 VanDerWaalsContact O-N 3.08Å; S128-S131 PolarHBondContact OG-N 2.94Å; S128-L132 PolarHBondContact O-N 2.8Å
129L88.6Confident92.2Very high123 Ų12359.7 Ų59.764%0.64431%0.305SS*.Hα-helixtrans-57.6-30.8170.2-176.762.4000112.1S131 L132 Q133L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.16Å; L129-L132 HydrophobicContact CD1-CD1 4.48Å; L129-L132 PolarHBondContact O-N 2.87Å; L129-Q133 WeakPolarHBondContact O-CG 3.34Å; L129-Q133 PolarHBondContact O-N 2.91Å
130K87.9Confident92.3Very high88 Ų8861.4 Ų61.438%0.38331%0.314SS..Hα-helixtrans-63.7-38.6176.4-177172-179.4174.40112.1S128 Q133 L134 E190S128-K130 PolarHBondContact O-N 3.13Å; K130-Q133 PolarHBondContact O-N 3.12Å; K130-L134 WeakPolarHBondContact O-CG 3.47Å; K130-L134 PolarHBondContact O-N 3.42Å; K130-E190 VanDerWaalsContact CE-OE1 3.29Å; K130-E190 WeakPolarHBondContact CE-OE1 3.34Å; K130-E190 WeakPolarHBondContact CE-OE2 3.45Å; K130-E190 IonicContact NZ-OE1 2.7Å; K130-E190 PolarHBondContact NZ-OE1 3.5Å; K130-E190 IonicContact NZ-OE2 2.8Å; K130-E190 PolarHBondContact NZ-OE2 3.29Å
131S89.7Confident92.3Very high2 Ų260.4 Ų60.41%0.01431%0.31CS..Hα-helixtrans-60.8-48.6174.1-168.40000111.1S128 L129 Q133 L134 N135 E185S128-S131 WeakPolarHBondContact O-CB 3.48Å; S128-S131 PolarHBondContact O-N 3.05Å; S128-S131 VanDerWaalsContact O-N 3.08Å; S128-S131 PolarHBondContact OG-N 2.94Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.16Å; S131-Q133 VanDerWaalsContact C-N 3.27Å; S131-Q133 PolarHBondContact O-N 3.38Å; S131-L134 PolarHBondContact O-N 3.16Å; S131-N135 PolarHBondContact O-N 3.32Å; S131-N135 PolarHBondContact O-ND2 2.88Å; S131-N135 PolarHBondContact O-OD1 3.41Å; S131-E185 WeakPolarHBondContact CB-OE1 3.47Å; S131-E185 PolarHBondContact OG-OE1 2.84Å
132L90.2Very high92.3Very high53 Ų5360.5 Ų60.528%0.27731%0.311SS..Hα-helixtrans-58.2-39.4177.3-63.8176.3000112.3L122 S128 L129 N135 S136L122-L132 HydrophobicContact CB-CD2 3.86Å; S128-L132 PolarHBondContact O-N 2.8Å; L129-L132 HydrophobicContact CD1-CD1 4.48Å; L129-L132 PolarHBondContact O-N 2.87Å; L132-N135 PolarHBondContact O-N 2.79Å; L132-S136 PolarHBondContact O-N 2.87Å
133Q89.9Confident92.3Very high93 Ų9365.4 Ų65.444%0.43534%0.336SS..Hα-helixtrans-66-36175.5-72.8172.8-18.500113.6L129 K130 S131 S136 R137L129-Q133 WeakPolarHBondContact O-CG 3.34Å; L129-Q133 PolarHBondContact O-N 2.91Å; K130-Q133 PolarHBondContact O-N 3.12Å; S131-Q133 VanDerWaalsContact C-N 3.27Å; S131-Q133 PolarHBondContact O-N 3.38Å; Q133-S136 PolarHBondContact O-OG 2.65Å; Q133-R137 WeakPolarHBondContact O-CG 3.42Å; Q133-R137 PolarHBondContact O-N 3.29Å
134L86.8Confident92.4Very high63 Ų6366 Ų6633%0.3333%0.333SS..Hα-helixtrans-69.6-43.3175-69.9173.1000110.2K130 S131 S136 R137 S138K130-L134 WeakPolarHBondContact O-CG 3.47Å; K130-L134 PolarHBondContact O-N 3.42Å; S131-L134 PolarHBondContact O-N 3.16Å; L134-S136 PolarHBondContact O-N 3.12Å; L134-R137 PolarHBondContact O-N 3.46Å; L134-S138 PolarHBondContact O-N 2.97Å; L134-S138 VanDerWaalsContact O-N 3.12Å
135N90.7Very high92.5Very high5 Ų561.3 Ų61.33%0.02731%0.309CS..Hα-helixtrans-62.2-42.7178.9-60.5-12.7000111.5L122 S131 L132 R137 S138 M139 L177 V181L122-N135 HydrophobicContact CD1-CB 4.38Å; S131-N135 PolarHBondContact O-N 3.32Å; S131-N135 PolarHBondContact O-ND2 2.88Å; S131-N135 PolarHBondContact O-OD1 3.41Å; L132-N135 PolarHBondContact O-N 2.79Å; N135-R137 VanDerWaalsContact C-N 3.34Å; N135-R137 PolarHBondContact O-N 3.35Å; N135-S138 PolarHBondContact O-N 3.14Å; N135-M139 WeakPolarHBondContact O-CG 3.4Å; N135-M139 PolarHBondContact O-N 3.15Å; N135-L177 HydrophobicContact CB-CD1 4.26Å; N135-L177 WeakPolarHBondContact OD1-CD1 3.49Å; N135-V181 WeakPolarHBondContact OD1-CG2 3.36Å
136S92.2Very high92.4Very high57 Ų5760.1 Ų60.140%0.39931%0.306SS..Hα-helixtrans-63.5-38.1178.769.50000112.8L132 Q133 L134 S138 M139 E140L132-S136 PolarHBondContact O-N 2.87Å; Q133-S136 PolarHBondContact O-OG 2.65Å; L134-S136 PolarHBondContact O-N 3.12Å; S136-S138 VanDerWaalsContact C-N 3.35Å; S136-M139 PolarHBondContact O-N 2.88Å; S136-E140 PolarHBondContact O-N 2.92Å
137R94.5Very high92.6Very high151 Ų15162.8 Ų62.857%0.5732%0.318SS*.Hα-helixtrans-67.4-34.9175.5-71.5172.7179.6170.41112.5Q133 L134 N135 K141Q133-R137 WeakPolarHBondContact O-CG 3.42Å; Q133-R137 PolarHBondContact O-N 3.29Å; L134-R137 PolarHBondContact O-N 3.46Å; N135-R137 VanDerWaalsContact C-N 3.34Å; N135-R137 PolarHBondContact O-N 3.35Å; R137-K141 WeakPolarHBondContact O-CG 3.39Å; R137-K141 PolarHBondContact O-N 3.3Å
138S94.4Very high92.8Very high16 Ų1660.3 Ų60.311%0.11231%0.306CS..Hα-helixtrans-68.5-38.1172.9-70.50000111.7L134 N135 S136 K141 I142 E173L134-S138 PolarHBondContact O-N 2.97Å; L134-S138 VanDerWaalsContact O-N 3.12Å; N135-S138 PolarHBondContact O-N 3.14Å; S136-S138 VanDerWaalsContact C-N 3.35Å; S138-K141 PolarHBondContact O-N 3.31Å; S138-I142 VanDerWaalsContact O-CG1 3.31Å; S138-I142 WeakPolarHBondContact O-CG1 3.16Å; S138-I142 PolarHBondContact O-N 2.69Å; S138-I142 VanDerWaalsContact O-N 3.1Å; S138-E173 WeakPolarHBondContact CA-OE1 3.43Å; S138-E173 VanDerWaalsContact CB-OE1 3.24Å; S138-E173 WeakPolarHBondContact CB-OE1 3.3Å; S138-E173 WeakPolarHBondContact O-CG 3.31Å; S138-E173 PolarHBondContact OG-OE1 3.13Å
139M93.9Very high93Very high19 Ų1960.2 Ų60.29%0.09430%0.301CS..Hα-helixtrans-63-40.4174.8-67.5168.3-175.700112.4L75 F115 F119 L122 N135 S136 I142 L143L75-M139 HydrophobicContact CD2-CE 4.1Å; L75-M139 HydrophobicContact CD2-CG 3.87Å; F115-M139 HydrophobicContact CE2-SD 4.08Å; F115-M139 HydrophobicContact CZ-SD 4.26Å; F119-M139 HydrophobicContact CE1-CE 4.04Å; F119-M139 HydrophobicContact CE1-SD 3.77Å; F119-M139 HydrophobicContact CZ-CE 4.34Å; F119-M139 HydrophobicContact CZ-SD 3.64Å; L122-M139 HydrophobicContact CD1-CE 3.46Å; L122-M139 VanDerWaalsContact CD1-CE 3.46Å; N135-M139 WeakPolarHBondContact O-CG 3.4Å; N135-M139 PolarHBondContact O-N 3.15Å; S136-M139 PolarHBondContact O-N 2.88Å; M139-I142 PolarHBondContact O-N 3.44Å; M139-L143 PolarHBondContact O-N 3.25Å
140E95.8Very high93.3Very high121 Ų12158.3 Ų58.357%0.56529%0.29SS*.Hα-helixtrans-57.1-51.4174.1-178.1176.6-160.500111.4S136 I142 L143 D144S136-E140 PolarHBondContact O-N 2.92Å; E140-I142 VanDerWaalsContact C-N 3.29Å; E140-I142 PolarHBondContact O-N 3Å; E140-L143 WeakPolarHBondContact O-CB 3.48Å; E140-L143 PolarHBondContact O-N 3.45Å; E140-L143 VanDerWaalsContact O-N 3.09Å; E140-D144 PolarHBondContact O-N 3.42Å
141K96.9Very high93.6Very high100 Ų10060.8 Ų60.844%0.43531%0.307SS..Hα-helixtrans-61.5-32.5177.6-69.9170174.4-178.20114.7R137 S138 L143 D144 G145 G169 E173R137-K141 WeakPolarHBondContact O-CG 3.39Å; R137-K141 PolarHBondContact O-N 3.3Å; S138-K141 PolarHBondContact O-N 3.31Å; K141-L143 VanDerWaalsContact C-N 3.31Å; K141-D144 PolarHBondContact O-N 3.43Å; K141-G145 PolarHBondContact O-N 3.1Å; K141-G169 VanDerWaalsContact O-CA 3.28Å; K141-G169 WeakPolarHBondContact O-CA 3.32Å; K141-E173 HydrophobicContact CB-CG 4Å; K141-E173 HydrophobicContact CD-CG 3.96Å; K141-E173 WeakPolarHBondContact CD-OE1 3.21Å; K141-E173 WeakPolarHBondContact CD-OE2 3.47Å; K141-E173 VanDerWaalsContact NZ-CD 3.28Å; K141-E173 IonicContact NZ-OE1 2.61Å; K141-E173 PolarHBondContact NZ-OE1 3.41Å; K141-E173 IonicContact NZ-OE2 2.7Å; K141-E173 PolarHBondContact NZ-OE2 3.37Å
142I95.8Very high93.9Very high9 Ų961.6 Ų61.65%0.04631%0.311CS..Hα-helixtrans-62-47175.6-69.7163.1000108.9L75 T79 S138 M139 E140 G145 E146 G169 E173 L174L75-I142 HydrophobicContact CD2-CD1 4.3Å; T79-I142 HydrophobicContact CG2-CG2 4.45Å; S138-I142 VanDerWaalsContact O-CG1 3.31Å; S138-I142 WeakPolarHBondContact O-CG1 3.16Å; S138-I142 PolarHBondContact O-N 2.69Å; S138-I142 VanDerWaalsContact O-N 3.1Å; M139-I142 PolarHBondContact O-N 3.44Å; E140-I142 VanDerWaalsContact C-N 3.29Å; E140-I142 PolarHBondContact O-N 3Å; I142-G145 PolarHBondContact O-N 3.34Å; I142-E146 PolarHBondContact O-N 2.83Å; I142-G169 WeakPolarHBondContact CA-O 3.29Å; I142-E173 HydrophobicContact CG1-CB 3.96Å; I142-E173 HydrophobicContact CG1-CG 4.1Å; I142-L174 HydrophobicContact CD1-CB 3.87Å; I142-L174 HydrophobicContact CD1-CD1 3.79Å; I142-L174 HydrophobicContact CD1-CG 4.29Å; I142-L174 HydrophobicContact CG1-CB 4.47Å
143L94.4Very high94.2Very high104 Ų10462.8 Ų62.855%0.54531%0.312SS..Hα-helixtrans-64.9-43.4177-178.362.6000111.9M139 E140 K141 G145 E146 L147M139-L143 PolarHBondContact O-N 3.25Å; E140-L143 WeakPolarHBondContact O-CB 3.48Å; E140-L143 PolarHBondContact O-N 3.45Å; E140-L143 VanDerWaalsContact O-N 3.09Å; K141-L143 VanDerWaalsContact C-N 3.31Å; L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.11Å; L143-E146 PolarHBondContact O-N 3.45Å; L143-E146 VanDerWaalsContact O-N 3.15Å; L143-L147 HydrophobicContact CD1-CG 4.38Å; L143-L147 HydrophobicContact CG-CD1 4.09Å; L143-L147 HydrophobicContact CG-CG 4.41Å; L143-L147 WeakPolarHBondContact O-CG 3.4Å; L143-L147 PolarHBondContact O-N 3.3Å
144D96.2Very high94.5Very high89 Ų8961 Ų6148%0.47630%0.302SS..Hα-helixtrans-58.5-39.4176.6-69.5-24000111.6E140 K141 L147 G148E140-D144 PolarHBondContact O-N 3.42Å; K141-D144 PolarHBondContact O-N 3.43Å; D144-L147 PolarHBondContact O-N 3.04Å; D144-G148 PolarHBondContact O-N 3.43Å
145G95.8Very high94.9Very high5 Ų560.4 Ų60.45%0.05230%0.296CS..Hα-helixtrans-66.1-36.2176.200000113.8K141 I142 L143 Q149K141-G145 PolarHBondContact O-N 3.1Å; I142-G145 PolarHBondContact O-N 3.34Å; L143-G145 VanDerWaalsContact C-N 3.26Å; L143-G145 PolarHBondContact O-N 3.11Å; G145-Q149 PolarHBondContact O-N 3.01Å; G145-Q149 VanDerWaalsContact O-N 3.14Å
146E93.9Very high95.1Very high31 Ų3161.6 Ų61.615%0.14530%0.303CS..Hα-helixtrans-69-43.7173.5-68.5-65.2170.700111.4I142 L143 G148 Q149 M150 K170I142-E146 PolarHBondContact O-N 2.83Å; L143-E146 PolarHBondContact O-N 3.45Å; L143-E146 VanDerWaalsContact O-N 3.15Å; E146-G148 PolarHBondContact O-N 3.02Å; E146-Q149 PolarHBondContact O-N 3.47Å; E146-M150 WeakPolarHBondContact O-CG 3.24Å; E146-M150 PolarHBondContact O-N 3.45Å; E146-K170 VanDerWaalsContact CD-NZ 3.34Å; E146-K170 HydrophobicContact CG-CB 4.02Å; E146-K170 VanDerWaalsContact OE1-CB 3.3Å; E146-K170 WeakPolarHBondContact OE1-CB 3.39Å; E146-K170 VanDerWaalsContact OE1-CE 3.31Å; E146-K170 WeakPolarHBondContact OE1-CE 3.47Å; E146-K170 IonicContact OE1-NZ 3.3Å; E146-K170 PolarHBondContact OE1-NZ 3.17Å; E146-K170 VanDerWaalsContact OE1-NZ 3.16Å; E146-K170 IonicContact OE2-NZ 3.9Å; E146-K170 PolarHBondContact OE2-NZ 3.39Å
147L95.4Very high95.2Very high78 Ų7864.5 Ų64.541%0.40831%0.314SS..Hα-helixtrans-63-42.4176.6-69.4173.7000111.8L143 D144 Q149 M150 D151L143-L147 HydrophobicContact CD1-CG 4.38Å; L143-L147 HydrophobicContact CG-CD1 4.09Å; L143-L147 HydrophobicContact CG-CG 4.41Å; L143-L147 WeakPolarHBondContact O-CG 3.4Å; L143-L147 PolarHBondContact O-N 3.3Å; D144-L147 PolarHBondContact O-N 3.04Å; L147-Q149 PolarHBondContact O-N 2.77Å; L147-M150 HydrophobicContact CD2-SD 4.41Å; L147-M150 WeakPolarHBondContact O-CB 3.41Å; L147-M150 PolarHBondContact O-N 2.82Å; L147-M150 VanDerWaalsContact O-N 3.13Å; L147-D151 PolarHBondContact O-N 2.83Å
148G96Very high95.3Very high17 Ų1757.8 Ų57.818%0.17529%0.289CS..Hα-helixtrans-60.1-43.3174.700000112.4D144 E146 M150 D151 D152 N166D144-G148 PolarHBondContact O-N 3.43Å; E146-G148 PolarHBondContact O-N 3.02Å; G148-M150 VanDerWaalsContact C-N 3.3Å; G148-M150 PolarHBondContact O-N 3.32Å; G148-D151 PolarHBondContact O-N 3.48Å; G148-D152 PolarHBondContact O-N 3.13Å; G148-N166 WeakPolarHBondContact CA-OD1 3.17Å
149Q94.4Very high95.4Very high41 Ų4159.5 Ų59.519%0.19230%0.299CS..Hα-helixtrans-64.1-35.3174.5-174.7175.179.600112.3G145 E146 L147 N166 V235G145-Q149 PolarHBondContact O-N 3.01Å; G145-Q149 VanDerWaalsContact O-N 3.14Å; E146-Q149 PolarHBondContact O-N 3.47Å; L147-Q149 PolarHBondContact O-N 2.77Å; Q149-N166 HydrophobicContact CB-CB 4.26Å; Q149-N166 PolarHBondContact N-OD1 3.22Å; Q149-V235 HydrophobicContact CG-CG1 4.3Å
150M93.5Very high95.6Very high83 Ų8359.4 Ų59.441%0.40930%0.299SS..Hα-helixtrans-65.5-41.8174.7-71.4178.465.900112.1V86 E146 L147 G148 D152 R153V86-M150 HydrophobicContact CG1-CE 4.33Å; V86-M150 HydrophobicContact CG1-SD 4.43Å; E146-M150 WeakPolarHBondContact O-CG 3.24Å; E146-M150 PolarHBondContact O-N 3.45Å; L147-M150 HydrophobicContact CD2-SD 4.41Å; L147-M150 WeakPolarHBondContact O-CB 3.41Å; L147-M150 PolarHBondContact O-N 2.82Å; L147-M150 VanDerWaalsContact O-N 3.13Å; G148-M150 VanDerWaalsContact C-N 3.3Å; G148-M150 PolarHBondContact O-N 3.32Å; M150-D152 VanDerWaalsContact C-N 3.31Å; M150-D152 PolarHBondContact O-N 3.3Å; M150-R153 WeakPolarHBondContact O-CB 3.14Å; M150-R153 WeakPolarHBondContact O-CG 3.39Å; M150-R153 PolarHBondContact O-N 3.34Å
151D95.7Very high95.7Very high139 Ų13960 Ų6074%0.74330%0.302SS*.Hα-helixtrans-66.9-32.4178.8-75.5-16.2000112.2L147 G148 R153L147-D151 PolarHBondContact O-N 2.83Å; G148-D151 PolarHBondContact O-N 3.48Å; D151-R153 VanDerWaalsContact C-N 3.27Å; D151-R153 PolarHBondContact O-N 2.94Å
152D96.1Very high95.7Very high19 Ų1958 Ų5810%0.10229%0.294CS..THydrogen-bonded Turntrans-80.82.6177.8-77-27.2000114.2G148 M150 Y154 K155 Q158 N166G148-D152 PolarHBondContact O-N 3.13Å; M150-D152 VanDerWaalsContact C-N 3.31Å; M150-D152 PolarHBondContact O-N 3.3Å; D152-Y154 PolarHBondContact O-N 3.46Å; D152-K155 HydrophobicContact CB-CD 4.33Å; D152-K155 WeakPolarHBondContact O-CB 3.41Å; D152-K155 PolarHBondContact O-N 3.1Å; D152-K155 VanDerWaalsContact O-N 3.07Å; D152-K155 WeakPolarHBondContact OD1-CD 3.21Å; D152-K155 IonicContact OD1-NZ 2.93Å; D152-K155 PolarHBondContact OD1-NZ 3.16Å; D152-Q158 HydrophobicContact CB-CG 4.44Å; D152-Q158 PolarHBondContact OD2-NE2 2.9Å; D152-Q158 VanDerWaalsContact OD2-NE2 3.15Å; D152-N166 PolarHBondContact OD2-ND2 2.82Å
153R95.2Very high95.8Very high79 Ų7957.7 Ų57.730%0.29829%0.292SS..THydrogen-bonded Turntrans-57.1132.4179.7-77.3-179.2-179.9-172.2-4.1111.8D87 M150 D151 K155 G234 V235D87-R153 IonicContact OD1-NH2 3.24Å; D87-R153 PolarHBondContact OD1-NH2 3.19Å; M150-R153 WeakPolarHBondContact O-CB 3.14Å; M150-R153 WeakPolarHBondContact O-CG 3.39Å; M150-R153 PolarHBondContact O-N 3.34Å; D151-R153 VanDerWaalsContact C-N 3.27Å; D151-R153 PolarHBondContact O-N 2.94Å; R153-K155 PolarHBondContact O-N 3.17Å; R153-G234 CarbonylContact C-O 3.57Å; R153-G234 WeakPolarHBondContact CA-O 2.97Å; R153-V235 HydrophobicContact CG-CG2 4.43Å
154Y95.9Very high96Very high55 Ų5554.3 Ų54.322%0.21628%0.275CS..THydrogen-bonded Turntrans6211-178.3-53.8-80000115.1D152 L156 R232 Q233 G234 Q258D152-Y154 PolarHBondContact O-N 3.46Å; Y154-L156 PolarHBondContact O-N 2.72Å; Y154-L156 VanDerWaalsContact O-N 3.09Å; Y154-R232 PolarHBondContact OH-O 3.04Å; Y154-Q233 WeakPolarHBondContact CE2-O 3.34Å; Y154-Q233 VanDerWaalsContact CZ-O 3.23Å; Y154-Q233 VanDerWaalsContact OH-C 3.22Å; Y154-Q233 WeakPolarHBondContact OH-CA 3.29Å; Y154-Q233 PolarHBondContact OH-O 3.43Å; Y154-G234 PolarHBondContact N-O 2.96Å; Y154-Q258 HydrophobicContact CD1-CB 4.05Å; Y154-Q258 HydrophobicContact CD1-CG 3.55Å; Y154-Q258 HydrophobicContact CE1-CB 3.52Å; Y154-Q258 HydrophobicContact CE1-CG 3.58Å; Y154-Q258 HydrophobicContact CG-CG 4.42Å
155K95.9Very high96.1Very high50 Ų5056.9 Ų56.922%0.21728%0.284CS..  trans-74.6100.9-178.5-170.4-178-178.3-167.70110.9D152 R153 D157 Q158 E162 Y236D152-K155 HydrophobicContact CB-CD 4.33Å; D152-K155 WeakPolarHBondContact O-CB 3.41Å; D152-K155 PolarHBondContact O-N 3.1Å; D152-K155 VanDerWaalsContact O-N 3.07Å; D152-K155 WeakPolarHBondContact OD1-CD 3.21Å; D152-K155 IonicContact OD1-NZ 2.93Å; D152-K155 PolarHBondContact OD1-NZ 3.16Å; R153-K155 PolarHBondContact O-N 3.17Å; K155-D157 WeakPolarHBondContact CG-OD1 3.44Å; K155-D157 PolarHBondContact O-N 2.98Å; K155-Q158 HydrophobicContact CB-CB 4.25Å; K155-Q158 HydrophobicContact CD-CB 4.15Å; K155-Q158 HydrophobicContact CG-CB 4.23Å; K155-Q158 WeakPolarHBondContact O-CB 3.49Å; K155-Q158 PolarHBondContact O-N 3.09Å; K155-E162 IonicContact NZ-OE1 3.62Å; K155-E162 PolarHBondContact NZ-OE1 3.33Å; K155-E162 IonicContact NZ-OE2 2.79Å; K155-E162 PolarHBondContact NZ-OE2 2.9Å; K155-Y236 WeakPolarHBondContact O-CD2 3.48Å
156L95.3Very high96.2Very high31 Ų3157.2 Ų57.216%0.16228%0.284CS..THydrogen-bonded Turntrans-69.6-15-177-65.7175.3000114Y154 Y236 N248 R252 L255 E256Y154-L156 PolarHBondContact O-N 2.72Å; Y154-L156 VanDerWaalsContact O-N 3.09Å; L156-Y236 HydrophobicContact CD2-CE2 3.93Å; L156-N248 PolarHBondContact O-ND2 2.74Å; L156-N248 VanDerWaalsContact O-ND2 3.11Å; L156-R252 HydrophobicContact CD1-CG 4.08Å; L156-L255 HydrophobicContact CD2-CB 3.72Å; L156-L255 HydrophobicContact CD2-CD1 3.56Å; L156-L255 HydrophobicContact CD2-CG 4.32Å; L156-E256 HydrophobicContact CD1-CG 4.36Å
157D95Very high96.3Very high118 Ų11855.8 Ų55.863%0.63128%0.278SS*.THydrogen-bonded Turntrans-110.519.8177.163.2-26.3000112.5K155 T159K155-D157 WeakPolarHBondContact CG-OD1 3.44Å; K155-D157 PolarHBondContact O-N 2.98Å; D157-T159 PolarHBondContact O-N 3.37Å
158Q96.7Very high96.5Very high10 Ų1053.7 Ų53.75%0.04727%0.27CS..  trans-57.3130.2173.3-172.2178.810.600110.2D152 K155 E162 I241D152-Q158 HydrophobicContact CB-CG 4.44Å; D152-Q158 PolarHBondContact OD2-NE2 2.9Å; D152-Q158 VanDerWaalsContact OD2-NE2 3.15Å; K155-Q158 HydrophobicContact CB-CB 4.25Å; K155-Q158 HydrophobicContact CD-CB 4.15Å; K155-Q158 HydrophobicContact CG-CB 4.23Å; K155-Q158 WeakPolarHBondContact O-CB 3.49Å; K155-Q158 PolarHBondContact O-N 3.09Å; Q158-E162 WeakPolarHBondContact CA-OE2 3.35Å; Q158-E162 HydrophobicContact CG-CB 4.18Å; Q158-I241 HydrophobicContact CB-CD1 4.5Å; Q158-I241 HydrophobicContact CG-CD1 4.06Å; Q158-I241 WeakPolarHBondContact O-CG2 3.45Å
159T96.6Very high96.5Very high51 Ų5153.2 Ų53.231%0.31327%0.265SS..  trans-86.7162.4-179.263.90000111.9D157 E161 E162 Y163D157-T159 PolarHBondContact O-N 3.37Å; T159-E161 PolarHBondContact O-N 3.48Å; T159-E162 PolarHBondContact N-OE2 2.74Å; T159-E162 PolarHBondContact O-N 3.45Å; T159-E162 WeakPolarHBondContact OG1-CB 3.47Å; T159-E162 VanDerWaalsContact OG1-CD 3.3Å; T159-E162 WeakPolarHBondContact OG1-CG 3.19Å; T159-E162 PolarHBondContact OG1-N 2.94Å; T159-E162 VanDerWaalsContact OG1-N 3.1Å; T159-E162 PolarHBondContact OG1-OE2 3.27Å; T159-E162 VanDerWaalsContact OG1-OE2 3.12Å; T159-Y163 PolarHBondContact O-N 3.49Å; T159-Y163 VanDerWaalsContact O-N 3.11Å
160V97.7Very high96.5Very high17 Ų1753 Ų5310%0.10326%0.263CS..Hα-helixtrans-63.6-36.2173.1173.90000110.2Y163 L164 L238 I241 Y242 L285V160-Y163 PolarHBondContact O-N 2.96Å; V160-L164 HydrophobicContact CG1-CD1 4.03Å; V160-L164 HydrophobicContact CG1-CG 4.34Å; V160-L164 WeakPolarHBondContact O-CB 3.48Å; V160-L164 VanDerWaalsContact O-CG 3.29Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 2.92Å; V160-L238 HydrophobicContact CG1-CD1 3.97Å; V160-L238 HydrophobicContact CG2-CD1 4.24Å; V160-I241 HydrophobicContact CG2-CG2 3.97Å; V160-Y242 HydrophobicContact CG2-CD1 4.04Å; V160-Y242 HydrophobicContact CG2-CE1 3.65Å; V160-L285 HydrophobicContact CG1-CD2 4.45Å
161E97.7Very high96.6Very high134 Ų13449.4 Ų49.463%0.62625%0.246SC*.Hα-helixtrans-62.2-46.8177.1-6874.1-166.200112.1T159 L164 E165T159-E161 PolarHBondContact O-N 3.48Å; E161-L164 PolarHBondContact O-N 2.94Å; E161-E165 WeakPolarHBondContact O-CB 3.36Å; E161-E165 PolarHBondContact O-N 2.92Å
162E97.3Very high96.7Very high57 Ų5742.8 Ų42.827%0.26621%0.211SC..Hα-helixtrans-63.6-43176.8-73.1165.4153.600111.5K155 Q158 T159 L164 E165 N166K155-E162 IonicContact NZ-OE1 3.62Å; K155-E162 PolarHBondContact NZ-OE1 3.33Å; K155-E162 IonicContact NZ-OE2 2.79Å; K155-E162 PolarHBondContact NZ-OE2 2.9Å; Q158-E162 WeakPolarHBondContact CA-OE2 3.35Å; Q158-E162 HydrophobicContact CG-CB 4.18Å; T159-E162 PolarHBondContact N-OE2 2.74Å; T159-E162 PolarHBondContact O-N 3.45Å; T159-E162 WeakPolarHBondContact OG1-CB 3.47Å; T159-E162 VanDerWaalsContact OG1-CD 3.3Å; T159-E162 WeakPolarHBondContact OG1-CG 3.19Å; T159-E162 PolarHBondContact OG1-N 2.94Å; T159-E162 VanDerWaalsContact OG1-N 3.1Å; T159-E162 PolarHBondContact OG1-OE2 3.27Å; T159-E162 VanDerWaalsContact OG1-OE2 3.12Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 2.99Å; E162-E165 PolarHBondContact O-N 3.49Å; E162-N166 VanDerWaalsContact O-CG 3.25Å; E162-N166 PolarHBondContact O-N 3.24Å; E162-N166 PolarHBondContact O-ND2 3.49Å
163Y98Very high96.8Very high4 Ų442.6 Ų42.62%0.01621%0.209CC..Hα-helixtrans-57.8-47.5172.6166.3-87000111.9T159 V160 E165 N166 I167 I209 D212 L238 I241T159-Y163 PolarHBondContact O-N 3.49Å; T159-Y163 VanDerWaalsContact O-N 3.11Å; V160-Y163 PolarHBondContact O-N 2.96Å; Y163-E165 VanDerWaalsContact C-N 3.32Å; Y163-E165 PolarHBondContact O-N 2.87Å; Y163-N166 PolarHBondContact O-N 3.07Å; Y163-I167 HydrophobicContact CD1-CD1 4.42Å; Y163-I167 HydrophobicContact CD1-CG1 4.39Å; Y163-I167 HydrophobicContact CD2-CG2 4.35Å; Y163-I167 HydrophobicContact CE1-CD1 3.55Å; Y163-I167 HydrophobicContact CE1-CG1 3.92Å; Y163-I167 HydrophobicContact CE1-CG2 4.27Å; Y163-I167 HydrophobicContact CE2-CG2 3.81Å; Y163-I167 WeakPolarHBondContact O-CG1 3.33Å; Y163-I167 PolarHBondContact O-N 2.95Å; Y163-I209 HydrophobicContact CE1-CG1 4.14Å; Y163-D212 WeakPolarHBondContact CE2-OD2 3.24Å; Y163-D212 PolarHBondContact OH-OD2 3.25Å; Y163-L238 HydrophobicContact CD1-CB 4.11Å; Y163-L238 HydrophobicContact CD1-CD1 3.78Å; Y163-L238 HydrophobicContact CD1-CG 4.38Å; Y163-L238 HydrophobicContact CE1-CB 3.66Å; Y163-L238 HydrophobicContact CE1-CD1 4.03Å; Y163-L238 HydrophobicContact CE1-CD2 4.1Å; Y163-L238 HydrophobicContact CE1-CG 4.14Å; Y163-L238 HydrophobicContact CE2-CB 4.08Å; Y163-L238 HydrophobicContact CG-CD1 4.39Å; Y163-I241 VanDerWaalsContact CB-CD1 3.5Å; Y163-I241 HydrophobicContact CD2-CD1 3.83Å; Y163-I241 HydrophobicContact CG-CD1 3.88Å
164L98.2Very high96.9Very high33 Ų3338.9 Ų38.917%0.17320%0.195CC..Hα-helixtrans-64.2-36.6179.4-74.9174.2000112.1V160 E161 E162 I167 S168 I205 L285 Y289V160-L164 HydrophobicContact CG1-CD1 4.03Å; V160-L164 HydrophobicContact CG1-CG 4.34Å; V160-L164 WeakPolarHBondContact O-CB 3.48Å; V160-L164 VanDerWaalsContact O-CG 3.29Å; V160-L164 WeakPolarHBondContact O-CG 3.42Å; V160-L164 PolarHBondContact O-N 2.92Å; E161-L164 PolarHBondContact O-N 2.94Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 2.99Å; L164-I167 HydrophobicContact CD2-CD1 4.27Å; L164-S168 WeakPolarHBondContact O-CB 3.42Å; L164-S168 PolarHBondContact O-N 2.95Å; L164-I205 HydrophobicContact CD2-CG2 4.15Å; L164-L285 HydrophobicContact CD1-CD2 4.29Å; L164-L285 HydrophobicContact CD2-CD2 4.06Å; L164-Y289 HydrophobicContact CD2-CE2 4.17Å
165E97.8Very high97Very high143 Ų14336.3 Ų36.367%0.66819%0.185SC*.Hα-helixtrans-62.4-48174.1-177.6166.7-164.300111.2E161 E162 Y163 S168 G169E161-E165 WeakPolarHBondContact O-CB 3.36Å; E161-E165 PolarHBondContact O-N 2.92Å; E162-E165 PolarHBondContact O-N 3.49Å; Y163-E165 VanDerWaalsContact C-N 3.32Å; Y163-E165 PolarHBondContact O-N 2.87Å; E165-S168 WeakPolarHBondContact O-CB 3.43Å; E165-S168 PolarHBondContact O-N 3.24Å; E165-G169 PolarHBondContact O-N 3.26Å
166N97.3Very high97.1Very high11 Ų1134.3 Ų34.36%0.05918%0.178CC..Hα-helixtrans-59-56.1177.8-67.8-23.1000111.2G148 Q149 D152 E162 Y163 S168 G169 K170G148-N166 WeakPolarHBondContact CA-OD1 3.17Å; Q149-N166 HydrophobicContact CB-CB 4.26Å; Q149-N166 PolarHBondContact N-OD1 3.22Å; D152-N166 PolarHBondContact OD2-ND2 2.82Å; E162-N166 VanDerWaalsContact O-CG 3.25Å; E162-N166 PolarHBondContact O-N 3.24Å; E162-N166 PolarHBondContact O-ND2 3.49Å; Y163-N166 PolarHBondContact O-N 3.07Å; N166-S168 PolarHBondContact O-N 2.95Å; N166-G169 PolarHBondContact O-N 3.11Å; N166-G169 VanDerWaalsContact O-N 3.08Å; N166-K170 WeakPolarHBondContact O-CG 3.48Å; N166-K170 PolarHBondContact O-N 2.95Å
167I97.4Very high97.2Very high1 Ų133 Ų331%0.00517%0.171CC..Hα-helixtrans-68-24.4-178.568.1152.2000113.2Y163 L164 G169 T171 A172 I205 Q208 I209Y163-I167 HydrophobicContact CD1-CD1 4.42Å; Y163-I167 HydrophobicContact CD1-CG1 4.39Å; Y163-I167 HydrophobicContact CD2-CG2 4.35Å; Y163-I167 HydrophobicContact CE1-CD1 3.55Å; Y163-I167 HydrophobicContact CE1-CG1 3.92Å; Y163-I167 HydrophobicContact CE1-CG2 4.27Å; Y163-I167 HydrophobicContact CE2-CG2 3.81Å; Y163-I167 WeakPolarHBondContact O-CG1 3.33Å; Y163-I167 PolarHBondContact O-N 2.95Å; L164-I167 HydrophobicContact CD2-CD1 4.27Å; I167-G169 VanDerWaalsContact C-N 3.34Å; I167-T171 PolarHBondContact O-N 3.28Å; I167-T171 VanDerWaalsContact O-N 3.16Å; I167-A172 PolarHBondContact O-N 3.43Å; I167-I205 HydrophobicContact CD1-CD1 3.78Å; I167-I205 HydrophobicContact CD1-CG2 3.97Å; I167-I205 HydrophobicContact CG1-CD1 3.8Å; I167-Q208 HydrophobicContact CB-CB 4.35Å; I167-Q208 HydrophobicContact CB-CG 3.97Å; I167-Q208 HydrophobicContact CD1-CB 4.06Å; I167-Q208 HydrophobicContact CD1-CG 4.31Å; I167-Q208 HydrophobicContact CG2-CG 3.68Å; I167-I209 HydrophobicContact CD1-CD1 4.48Å; I167-I209 HydrophobicContact CD1-CG1 3.99Å
168S98.1Very high97.3Very high35 Ų3527.4 Ų27.425%0.24514%0.141CC..Iπ-helixtrans-60.9-44.8170.7171.20000111L164 E165 N166 E173 H201L164-S168 WeakPolarHBondContact O-CB 3.42Å; L164-S168 PolarHBondContact O-N 2.95Å; E165-S168 WeakPolarHBondContact O-CB 3.43Å; E165-S168 PolarHBondContact O-N 3.24Å; N166-S168 PolarHBondContact O-N 2.95Å; S168-E173 WeakPolarHBondContact O-CB 3.24Å; S168-E173 PolarHBondContact O-N 3.11Å; S168-H201 PolarHBondContact OG-NE2 3.14Å
169G96Very high97.4Very high7 Ų727 Ų277%0.07214%0.139CC..Iπ-helixtrans-71.9-63.7174.100000112.1K141 I142 E165 N166 I167 T171 E173K141-G169 VanDerWaalsContact O-CA 3.28Å; K141-G169 WeakPolarHBondContact O-CA 3.32Å; I142-G169 WeakPolarHBondContact CA-O 3.29Å; E165-G169 PolarHBondContact O-N 3.26Å; N166-G169 PolarHBondContact O-N 3.11Å; N166-G169 VanDerWaalsContact O-N 3.08Å; I167-G169 VanDerWaalsContact C-N 3.34Å; G169-T171 PolarHBondContact O-N 3.18Å; G169-E173 WeakPolarHBondContact O-CB 3.42Å
170K94.7Very high97.5Very high36 Ų3625.9 Ų25.916%0.15713%0.134CC..Iπ-helixtrans-64.7-37.2-166.466.9172.1-70.9142.20114.7E146 N166E146-K170 VanDerWaalsContact CD-NZ 3.34Å; E146-K170 HydrophobicContact CG-CB 4.02Å; E146-K170 VanDerWaalsContact OE1-CB 3.3Å; E146-K170 WeakPolarHBondContact OE1-CB 3.39Å; E146-K170 VanDerWaalsContact OE1-CE 3.31Å; E146-K170 WeakPolarHBondContact OE1-CE 3.47Å; E146-K170 IonicContact OE1-NZ 3.3Å; E146-K170 PolarHBondContact OE1-NZ 3.17Å; E146-K170 VanDerWaalsContact OE1-NZ 3.16Å; E146-K170 IonicContact OE2-NZ 3.9Å; E146-K170 PolarHBondContact OE2-NZ 3.39Å; N166-K170 WeakPolarHBondContact O-CG 3.48Å; N166-K170 PolarHBondContact O-N 2.95Å
171T95.2Very high97.5Very high8 Ų825.2 Ų25.25%0.04913%0.13CC..Iπ-helixtrans-113.5-51.3-174.8-61.70000112.2I167 G169 L174 F175 F207 Q208I167-T171 PolarHBondContact O-N 3.28Å; I167-T171 VanDerWaalsContact O-N 3.16Å; G169-T171 PolarHBondContact O-N 3.18Å; T171-L174 PolarHBondContact O-N 3.38Å; T171-F175 HydrophobicContact CG2-CD2 4.42Å; T171-F175 HydrophobicContact CG2-CE2 4.34Å; T171-F207 HydrophobicContact CG2-CD1 4.43Å; T171-Q208 HydrophobicContact CG2-CB 4.05Å; T171-Q208 PolarHBondContact OG1-OE1 3.04Å
172A98.1Very high97.5Very high0 Ų019 Ų190%010%0.102CC..Iπ-helixtrans-72.4-35.1-169.700000113.6I167 L174 F175 A176 H201 I205I167-A172 PolarHBondContact O-N 3.43Å; A172-L174 VanDerWaalsContact C-N 3.27Å; A172-L174 PolarHBondContact O-N 3.1Å; A172-F175 PolarHBondContact O-N 3.47Å; A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 3.24Å; A172-H201 WeakPolarHBondContact CB-O 3.31Å; A172-I205 HydrophobicContact CB-CD1 3.7Å; A172-I205 HydrophobicContact CB-CG1 3.76Å
173E98.2Very high97.5Very high14 Ų1416.3 Ų16.37%0.0659%0.09CC..Hα-helixtrans-62.6-35.7179.6-172.570.5-164.700111.3S138 K141 I142 S168 G169 A176 L177S138-E173 WeakPolarHBondContact CA-OE1 3.43Å; S138-E173 VanDerWaalsContact CB-OE1 3.24Å; S138-E173 WeakPolarHBondContact CB-OE1 3.3Å; S138-E173 WeakPolarHBondContact O-CG 3.31Å; S138-E173 PolarHBondContact OG-OE1 3.13Å; K141-E173 HydrophobicContact CB-CG 4Å; K141-E173 HydrophobicContact CD-CG 3.96Å; K141-E173 WeakPolarHBondContact CD-OE1 3.21Å; K141-E173 WeakPolarHBondContact CD-OE2 3.47Å; K141-E173 VanDerWaalsContact NZ-CD 3.28Å; K141-E173 IonicContact NZ-OE1 2.61Å; K141-E173 PolarHBondContact NZ-OE1 3.41Å; K141-E173 IonicContact NZ-OE2 2.7Å; K141-E173 PolarHBondContact NZ-OE2 3.37Å; I142-E173 HydrophobicContact CG1-CB 3.96Å; I142-E173 HydrophobicContact CG1-CG 4.1Å; S168-E173 WeakPolarHBondContact O-CB 3.24Å; S168-E173 PolarHBondContact O-N 3.11Å; G169-E173 WeakPolarHBondContact O-CB 3.42Å; E173-A176 WeakPolarHBondContact O-CB 3.39Å; E173-A176 PolarHBondContact O-N 3.38Å; E173-L177 VanDerWaalsContact O-CB 3.27Å; E173-L177 WeakPolarHBondContact O-CB 3.46Å; E173-L177 PolarHBondContact O-N 2.89Å
174L97.2Very high97.5Very high2 Ų217.5 Ų17.51%0.0110%0.095CC..Hα-helixtrans-71.4-33.1178.4-167.254.6000112.5I72 L75 H76 I142 T171 A172 L177 S178I72-L174 HydrophobicContact CG2-CD1 3.68Å; I72-L174 HydrophobicContact CG2-CG 4.34Å; L75-L174 HydrophobicContact CD2-CD1 3.69Å; L75-L174 HydrophobicContact CG-CD1 4.27Å; H76-L174 HydrophobicContact CB-CD2 3.73Å; I142-L174 HydrophobicContact CD1-CB 3.87Å; I142-L174 HydrophobicContact CD1-CD1 3.79Å; I142-L174 HydrophobicContact CD1-CG 4.29Å; I142-L174 HydrophobicContact CG1-CB 4.47Å; T171-L174 PolarHBondContact O-N 3.38Å; A172-L174 VanDerWaalsContact C-N 3.27Å; A172-L174 PolarHBondContact O-N 3.1Å; L174-L177 HydrophobicContact CD1-CD2 4.12Å; L174-S178 WeakPolarHBondContact O-CB 3.22Å; L174-S178 PolarHBondContact O-N 3.18Å; L174-S178 PolarHBondContact O-OG 3.29Å
175F98.3Very high97.4Very high0 Ų016.2 Ų16.20%09%0.088CC..Hα-helixtrans-66.9-43.9168.1-85.6-88.3000111.6L45 R46 Y49 T171 A172 L177 S178 C179 G200 I203 F207L45-F175 HydrophobicContact CB-CE1 4.05Å; L45-F175 HydrophobicContact CB-CZ 4.19Å; R46-F175 HydrophobicContact CG-CD1 4.4Å; R46-F175 HydrophobicContact CG-CE1 4.35Å; R46-F175 HydrophobicContact CG-CE2 4.46Å; R46-F175 HydrophobicContact CG-CG 4.49Å; R46-F175 HydrophobicContact CG-CZ 4.38Å; Y49-F175 HydrophobicContact CD2-CD1 4.05Å; Y49-F175 AromaticContact CD2-CE1 3.89Å; Y49-F175 HydrophobicContact CD2-CE1 3.89Å; Y49-F175 HydrophobicContact CE2-CD1 4.43Å; Y49-F175 HydrophobicContact CE2-CE1 4.02Å; T171-F175 HydrophobicContact CG2-CD2 4.42Å; T171-F175 HydrophobicContact CG2-CE2 4.34Å; A172-F175 PolarHBondContact O-N 3.47Å; F175-L177 VanDerWaalsContact C-N 3.31Å; F175-L177 PolarHBondContact O-N 3.23Å; F175-S178 WeakPolarHBondContact O-CB 3.33Å; F175-S178 PolarHBondContact O-N 3.24Å; F175-C179 PolarHBondContact O-N 3.4Å; F175-C179 PolarHBondContact O-SG 3.4Å; F175-G200 WeakPolarHBondContact CB-O 3.21Å; F175-I203 HydrophobicContact CD1-CG2 4.12Å; F175-I203 HydrophobicContact CE1-CG2 4.17Å; F175-F207 HydrophobicContact CE2-CD1 4.07Å; F175-F207 HydrophobicContact CE2-CG 4.32Å; F175-F207 HydrophobicContact CZ-CD1 4.28Å; F175-F207 HydrophobicContact CZ-CG 4.21Å
176A98.4Very high97.4Very high9 Ų99.8 Ų9.87%0.0746%0.059CC..Hα-helixtrans-58.7-45.1176.300000111.3A172 E173 C179 S180 G197 H201A172-A176 WeakPolarHBondContact O-CB 3.46Å; A172-A176 PolarHBondContact O-N 3.24Å; E173-A176 WeakPolarHBondContact O-CB 3.39Å; E173-A176 PolarHBondContact O-N 3.38Å; A176-C179 PolarHBondContact O-N 2.92Å; A176-S180 WeakPolarHBondContact O-CB 3.44Å; A176-S180 PolarHBondContact O-N 3.42Å; A176-G197 WeakPolarHBondContact CA-O 3.17Å; A176-G197 VanDerWaalsContact CB-O 3.26Å; A176-G197 WeakPolarHBondContact CB-O 3.47Å; A176-G197 WeakPolarHBondContact O-CA 3.34Å; A176-H201 HydrophobicContact CB-CB 3.99Å
177L97.4Very high97.3Very high4 Ų410.8 Ų10.82%0.0217%0.072CC..Hα-helixtrans-60.5-48.7176-17861.2000110.9I72 L75 N135 E173 L174 F175 C179 S180 V181I72-L177 HydrophobicContact CD1-CD2 3.76Å; I72-L177 HydrophobicContact CD1-CG 3.98Å; L75-L177 HydrophobicContact CD2-CD2 4.33Å; N135-L177 HydrophobicContact CB-CD1 4.26Å; N135-L177 WeakPolarHBondContact OD1-CD1 3.49Å; E173-L177 VanDerWaalsContact O-CB 3.27Å; E173-L177 WeakPolarHBondContact O-CB 3.46Å; E173-L177 PolarHBondContact O-N 2.89Å; L174-L177 HydrophobicContact CD1-CD2 4.12Å; F175-L177 VanDerWaalsContact C-N 3.31Å; F175-L177 PolarHBondContact O-N 3.23Å; L177-C179 PolarHBondContact O-N 3.07Å; L177-S180 PolarHBondContact O-N 2.86Å; L177-V181 HydrophobicContact CD1-CG2 3.66Å; L177-V181 HydrophobicContact CG-CG2 4.15Å; L177-V181 WeakPolarHBondContact O-CB 3.33Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.43Å; L177-V181 PolarHBondContact O-N 3.42Å
178S98Very high97.3Very high0 Ų012.3 Ų12.30%08%0.08CC..Hα-helixtrans-53.2-51.9177.3-57.70000111.7R46 Q50 I72 L174 F175 G182R46-S178 WeakPolarHBondContact CB-OG 3.47Å; Q50-S178 WeakPolarHBondContact CA-O 3.46Å; Q50-S178 VanDerWaalsContact CB-O 3.28Å; Q50-S178 WeakPolarHBondContact CB-O 3.35Å; Q50-S178 VanDerWaalsContact CG-O 3.28Å; Q50-S178 WeakPolarHBondContact CG-O 3.49Å; I72-S178 VanDerWaalsContact CG2-OG 3.31Å; I72-S178 WeakPolarHBondContact CG2-OG 3.13Å; L174-S178 WeakPolarHBondContact O-CB 3.22Å; L174-S178 PolarHBondContact O-N 3.18Å; L174-S178 PolarHBondContact O-OG 3.29Å; F175-S178 WeakPolarHBondContact O-CB 3.33Å; F175-S178 PolarHBondContact O-N 3.24Å; S178-G182 PolarHBondContact O-N 3.06Å; S178-G182 VanDerWaalsContact O-N 3.12Å
179C98.5Very high97.2Very high0 Ų014 Ų140%09%0.091CC..Hα-helixtrans-66.3-42.8-179.6-63.10000112.2F53 F175 A176 L177 A183 A196 G200F53-C179 WeakPolarHBondContact CB-O 3.46Å; F53-C179 HydrophobicContact CD2-CB 3.56Å; F53-C179 VanDerWaalsContact CD2-SG 3.57Å; F53-C179 HydrophobicContact CE2-CB 3.68Å; F53-C179 WeakPolarHBondContact CE2-SG 3.36Å; F53-C179 HydrophobicContact CG-CB 4.22Å; F53-C179 HydrophobicContact CZ-CB 4.41Å; F175-C179 PolarHBondContact O-N 3.4Å; F175-C179 PolarHBondContact O-SG 3.4Å; A176-C179 PolarHBondContact O-N 2.92Å; L177-C179 PolarHBondContact O-N 3.07Å; C179-A183 WeakPolarHBondContact O-CB 3.42Å; C179-A183 PolarHBondContact O-N 3.08Å; C179-A183 VanDerWaalsContact O-N 3.12Å; C179-A196 HydrophobicContact CB-CB 4.17Å; C179-A196 WeakPolarHBondContact CB-O 3.26Å; C179-A196 WeakPolarHBondContact O-CB 3.48Å; C179-G200 VanDerWaalsContact SG-CA 3.55Å
180S97.9Very high97.1Very high29 Ų2918.4 Ų18.420%0.20311%0.11CC..Hα-helixtrans-65.1-46.1-179.7-177.50000111.9A176 L177 A183 F184A176-S180 WeakPolarHBondContact O-CB 3.44Å; A176-S180 PolarHBondContact O-N 3.42Å; L177-S180 PolarHBondContact O-N 2.86Å; S180-A183 PolarHBondContact O-N 3.31Å; S180-F184 VanDerWaalsContact O-CB 3.27Å; S180-F184 WeakPolarHBondContact O-CB 3.39Å; S180-F184 PolarHBondContact O-N 3.15Å
181V97.3Very high97.3Very high2 Ų227.1 Ų27.11%0.01214%0.142CC..Hα-helixtrans-63.1-46.9178.4170.40000110.6L68 N135 L177 A183 F184 E185L68-V181 HydrophobicContact CB-CG1 4.23Å; L68-V181 HydrophobicContact CD1-CG1 4.41Å; N135-V181 WeakPolarHBondContact OD1-CG2 3.36Å; L177-V181 HydrophobicContact CD1-CG2 3.66Å; L177-V181 HydrophobicContact CG-CG2 4.15Å; L177-V181 WeakPolarHBondContact O-CB 3.33Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.43Å; L177-V181 PolarHBondContact O-N 3.42Å; V181-A183 VanDerWaalsContact C-N 3.31Å; V181-A183 PolarHBondContact O-N 2.93Å; V181-F184 PolarHBondContact O-N 3.34Å; V181-E185 HydrophobicContact CG1-CG 3.91Å; V181-E185 VanDerWaalsContact O-CB 3.28Å; V181-E185 WeakPolarHBondContact O-CB 3.4Å; V181-E185 WeakPolarHBondContact O-CG 3.18Å; V181-E185 PolarHBondContact O-N 2.85Å
182G97.8Very high97.4Very high5 Ų528.1 Ų28.15%0.05215%0.146CC..Hα-helixtrans-56.1-46.9177.300000112Q50 A54 S178 S186Q50-G182 WeakPolarHBondContact O-CA 3.36Å; A54-G182 VanDerWaalsContact CA-O 3.22Å; A54-G182 WeakPolarHBondContact CA-O 3.47Å; S178-G182 PolarHBondContact O-N 3.06Å; S178-G182 VanDerWaalsContact O-N 3.12Å; G182-S186 WeakPolarHBondContact O-CB 3.33Å; G182-S186 PolarHBondContact O-N 3.47Å; G182-S186 PolarHBondContact O-OG 3.43Å
183A97.9Very high97.4Very high0 Ų028.2 Ų28.20%015%0.147CC..Hα-helixtrans-64.8-52176.300000112.7F53 C179 S180 V181 S186 N188 F192 A193 A196F53-A183 HydrophobicContact CB-CB 4.42Å; C179-A183 WeakPolarHBondContact O-CB 3.42Å; C179-A183 PolarHBondContact O-N 3.08Å; C179-A183 VanDerWaalsContact O-N 3.12Å; S180-A183 PolarHBondContact O-N 3.31Å; V181-A183 VanDerWaalsContact C-N 3.31Å; V181-A183 PolarHBondContact O-N 2.93Å; A183-S186 PolarHBondContact O-OG 3.27Å; A183-N188 VanDerWaalsContact O-CB 3.24Å; A183-N188 WeakPolarHBondContact O-CB 3.28Å; A183-N188 PolarHBondContact O-N 3.01Å; A183-N188 PolarHBondContact O-ND2 3.39Å; A183-F192 HydrophobicContact CB-CD1 3.81Å; A183-F192 HydrophobicContact CB-CE1 3.95Å; A183-A193 HydrophobicContact CB-CB 4.16Å; A183-A196 HydrophobicContact CB-CB 3.77Å
184F97.2Very high97.3Very high29 Ų2934.8 Ų34.813%0.12718%0.175CC..Hα-helixtrans-65.4-49.5-174.2-173.3-98.5000112.1S180 V181 S186 G187 E190 A193S180-F184 VanDerWaalsContact O-CB 3.27Å; S180-F184 WeakPolarHBondContact O-CB 3.39Å; S180-F184 PolarHBondContact O-N 3.15Å; V181-F184 PolarHBondContact O-N 3.34Å; F184-S186 PolarHBondContact O-N 3.31Å; F184-G187 PolarHBondContact O-N 3.43Å; F184-E190 HydrophobicContact CD2-CG 4.16Å; F184-E190 HydrophobicContact CE2-CG 3.59Å; F184-A193 HydrophobicContact CB-CB 3.75Å; F184-A193 HydrophobicContact CD2-CB 4.18Å; F184-A193 HydrophobicContact CG-CB 4.46Å
185E97.4Very high97.4Very high5 Ų537.4 Ų37.42%0.02319%0.187CC..Hα-helixtrans-76-10.3-173.4-61.4-74.1-165.300113.3K64 L68 S126 T127 S131 V181 G187K64-E185 WeakPolarHBondContact CE-O 3.31Å; K64-E185 PolarHBondContact NZ-O 3.49Å; L68-E185 HydrophobicContact CD1-CB 3.41Å; L68-E185 VanDerWaalsContact CD1-CB 3.41Å; L68-E185 HydrophobicContact CD1-CG 3.6Å; S126-E185 VanDerWaalsContact CA-OE1 3.26Å; S126-E185 WeakPolarHBondContact CA-OE1 3.39Å; S126-E185 VanDerWaalsContact CB-OE1 3.25Å; S126-E185 WeakPolarHBondContact CB-OE1 3.47Å; S126-E185 PolarHBondContact OG-OE1 3.39Å; T127-E185 VanDerWaalsContact CB-OE2 3.29Å; T127-E185 WeakPolarHBondContact CB-OE2 3.38Å; T127-E185 WeakPolarHBondContact CG2-OE2 3.46Å; T127-E185 PolarHBondContact N-OE2 2.97Å; T127-E185 PolarHBondContact OG1-OE2 3.36Å; S131-E185 WeakPolarHBondContact CB-OE1 3.47Å; S131-E185 PolarHBondContact OG-OE1 2.84Å; V181-E185 HydrophobicContact CG1-CG 3.91Å; V181-E185 VanDerWaalsContact O-CB 3.28Å; V181-E185 WeakPolarHBondContact O-CB 3.4Å; V181-E185 WeakPolarHBondContact O-CG 3.18Å; V181-E185 PolarHBondContact O-N 2.85Å; E185-G187 VanDerWaalsContact C-N 3.27Å
186S97.1Very high97.4Very high8 Ų837.4 Ų37.46%0.05619%0.187CC..THydrogen-bonded Turntrans-86.54.8169.958.30000113.4A54 G57 P58 E59 G182 A183 F184 N188A54-S186 VanDerWaalsContact O-CB 3.22Å; A54-S186 WeakPolarHBondContact O-CB 3.46Å; A54-S186 PolarHBondContact O-OG 3.18Å; G57-S186 CarbonylContact C-O 3.42Å; G57-S186 VanDerWaalsContact C-O 3.31Å; G57-S186 VanDerWaalsContact CA-O 3.22Å; G57-S186 WeakPolarHBondContact CA-O 3.35Å; G57-S186 WeakPolarHBondContact CA-OG 3.48Å; P58-S186 VanDerWaalsContact CD-O 3.25Å; P58-S186 WeakPolarHBondContact CD-O 3.01Å; E59-S186 WeakPolarHBondContact CB-O 3.14Å; E59-S186 PolarHBondContact N-O 3.07Å; E59-S186 VanDerWaalsContact N-O 3.12Å; G182-S186 WeakPolarHBondContact O-CB 3.33Å; G182-S186 PolarHBondContact O-N 3.47Å; G182-S186 PolarHBondContact O-OG 3.43Å; A183-S186 PolarHBondContact O-OG 3.27Å; F184-S186 PolarHBondContact O-N 3.31Å; S186-N188 PolarHBondContact OG-ND2 3.05Å
187G96.3Very high97.4Very high32 Ų3237.5 Ų37.533%0.3319%0.188SC..THydrogen-bonded Turntrans91.316.5176.600000114.7F184 E185F184-G187 PolarHBondContact O-N 3.43Å; E185-G187 VanDerWaalsContact C-N 3.27Å
188N96.6Very high97.4Very high34 Ų3442.2 Ų42.218%0.18221%0.211CC..  trans-76.2162.3171.5-78.2-77.5000112.7F56 G57 A183 S186 F192F56-N188 VanDerWaalsContact C-ND2 3.3Å; F56-N188 PolarHBondContact O-ND2 3.39Å; F56-N188 PolarHBondContact O-OD1 3.1Å; G57-N188 WeakPolarHBondContact CA-ND2 3.32Å; G57-N188 PolarHBondContact N-ND2 3.1Å; A183-N188 VanDerWaalsContact O-CB 3.24Å; A183-N188 WeakPolarHBondContact O-CB 3.28Å; A183-N188 PolarHBondContact O-N 3.01Å; A183-N188 PolarHBondContact O-ND2 3.39Å; S186-N188 PolarHBondContact OG-ND2 3.05Å; N188-F192 HydrophobicContact CB-CB 4.11Å; N188-F192 HydrophobicContact CB-CD1 3.73Å; N188-F192 HydrophobicContact CB-CG 4.21Å
189S95.8Very high97.5Very high69 Ų6942.2 Ų42.248%0.48321%0.211SC..  trans-60.9150170.171.40000112.8R191 F192 A193S189-R191 PolarHBondContact O-N 3Å; S189-F192 WeakPolarHBondContact O-CB 3.42Å; S189-F192 PolarHBondContact O-N 3.28Å; S189-F192 PolarHBondContact OG-N 3.18Å; S189-A193 PolarHBondContact O-N 3.34Å
190E94.9Very high97.5Very high100 Ų10042.2 Ų42.247%0.46721%0.211SC..Hα-helixtrans-54.1-35.2171.3-71.8177.4-151.900113K130 F184 F192 A193 K194K130-E190 VanDerWaalsContact CE-OE1 3.29Å; K130-E190 WeakPolarHBondContact CE-OE1 3.34Å; K130-E190 WeakPolarHBondContact CE-OE2 3.45Å; K130-E190 IonicContact NZ-OE1 2.7Å; K130-E190 PolarHBondContact NZ-OE1 3.5Å; K130-E190 IonicContact NZ-OE2 2.8Å; K130-E190 PolarHBondContact NZ-OE2 3.29Å; F184-E190 HydrophobicContact CD2-CG 4.16Å; F184-E190 HydrophobicContact CE2-CG 3.59Å; E190-F192 VanDerWaalsContact C-N 3.31Å; E190-F192 PolarHBondContact O-N 2.9Å; E190-A193 PolarHBondContact O-N 3.32Å; E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 PolarHBondContact O-N 3.08Å
191R97.3Very high97.5Very high219 Ų21942.9 Ų42.983%0.82621%0.211SC*.Hα-helixtrans-62.8-41176.7-176.8-179.8178-170.80.1111.4S189 K195S189-R191 PolarHBondContact O-N 3Å; R191-K195 PolarHBondContact O-N 3.22Å
192F98.1Very high97.6Very high29 Ų2943.8 Ų43.813%0.12722%0.216CC..Hα-helixtrans-70.7-43.8177.1-174.1-90.8000111F53 F56 A183 N188 S189 E190 K194 K195 A196 L300 P301F53-F192 HydrophobicContact CD1-CE1 4.45Å; F56-F192 HydrophobicContact CB-CE1 3.66Å; F56-F192 HydrophobicContact CB-CZ 3.63Å; F56-F192 HydrophobicContact CD1-CZ 4.08Å; F56-F192 HydrophobicContact CD2-CE1 4.02Å; F56-F192 AromaticContact CD2-CZ 3.67Å; F56-F192 HydrophobicContact CD2-CZ 3.67Å; F56-F192 HydrophobicContact CE2-CZ 4.32Å; F56-F192 AromaticContact CG-CE1 3.98Å; F56-F192 HydrophobicContact CG-CE1 3.98Å; F56-F192 AromaticContact CG-CZ 3.52Å; F56-F192 HydrophobicContact CG-CZ 3.52Å; A183-F192 HydrophobicContact CB-CD1 3.81Å; A183-F192 HydrophobicContact CB-CE1 3.95Å; N188-F192 HydrophobicContact CB-CB 4.11Å; N188-F192 HydrophobicContact CB-CD1 3.73Å; N188-F192 HydrophobicContact CB-CG 4.21Å; S189-F192 WeakPolarHBondContact O-CB 3.42Å; S189-F192 PolarHBondContact O-N 3.28Å; S189-F192 PolarHBondContact OG-N 3.18Å; E190-F192 VanDerWaalsContact C-N 3.31Å; E190-F192 PolarHBondContact O-N 2.9Å; F192-K194 VanDerWaalsContact C-N 3.34Å; F192-K194 PolarHBondContact O-N 2.83Å; F192-K195 WeakPolarHBondContact O-CB 3.33Å; F192-K195 PolarHBondContact O-N 3Å; F192-K195 VanDerWaalsContact O-N 3.1Å; F192-A196 PolarHBondContact O-N 3.22Å; F192-L300 HydrophobicContact CE2-CD2 3.79Å; F192-L300 HydrophobicContact CZ-CD2 3.9Å; F192-P301 HydrophobicContact CE2-CG 4.24Å
193A97.3Very high97.6Very high3 Ų343.5 Ų43.53%0.02521%0.213CC..Hα-helixtrans-58.2-43.2174.800000112.5A183 F184 S189 E190 K195 A196 G197A183-A193 HydrophobicContact CB-CB 4.16Å; F184-A193 HydrophobicContact CB-CB 3.75Å; F184-A193 HydrophobicContact CD2-CB 4.18Å; F184-A193 HydrophobicContact CG-CB 4.46Å; S189-A193 PolarHBondContact O-N 3.34Å; E190-A193 PolarHBondContact O-N 3.32Å; A193-K195 VanDerWaalsContact C-N 3.34Å; A193-K195 PolarHBondContact O-N 2.97Å; A193-A196 WeakPolarHBondContact O-CB 3.42Å; A193-A196 PolarHBondContact O-N 3.24Å; A193-G197 PolarHBondContact O-N 3.5Å
194K97.2Very high97.6Very high152 Ų15243.5 Ų43.566%0.66121%0.213SC*.Hα-helixtrans-60.1-42.1173.9-175.2175.3-179.3176.80112.1E190 F192 G197 M198E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 PolarHBondContact O-N 3.08Å; F192-K194 VanDerWaalsContact C-N 3.34Å; F192-K194 PolarHBondContact O-N 2.83Å; K194-G197 PolarHBondContact O-N 3.16Å; K194-M198 WeakPolarHBondContact O-CG 3.17Å; K194-M198 PolarHBondContact O-N 3.31Å
195K98.4Very high97.7Very high57 Ų5742.2 Ų42.225%0.24821%0.208CC..Hα-helixtrans-64.1-41.7175.6-171.5-173.5176.7-163.10111.5R191 F192 A193 G197 M198 I199 K299 L300R191-K195 PolarHBondContact O-N 3.22Å; F192-K195 WeakPolarHBondContact O-CB 3.33Å; F192-K195 PolarHBondContact O-N 3Å; F192-K195 VanDerWaalsContact O-N 3.1Å; A193-K195 VanDerWaalsContact C-N 3.34Å; A193-K195 PolarHBondContact O-N 2.97Å; K195-G197 VanDerWaalsContact C-N 3.33Å; K195-M198 PolarHBondContact O-N 2.9Å; K195-I199 HydrophobicContact CG-CD1 4.5Å; K195-I199 WeakPolarHBondContact O-CG1 3.4Å; K195-I199 PolarHBondContact O-N 3.29Å; K195-K299 VanDerWaalsContact NZ-C 3.26Å; K195-K299 PolarHBondContact NZ-O 3.34Å; K195-L300 HydrophobicContact CD-CD2 4.37Å
196A98.6Very high97.7Very high0 Ų042 Ų420%021%0.207CC..Hα-helixtrans-60.7-43.6174.200000111.3F53 C179 A183 F192 A193 M198 I199 G200F53-A196 HydrophobicContact CD1-CB 3.45Å; F53-A196 VanDerWaalsContact CD1-CB 3.45Å; F53-A196 HydrophobicContact CE1-CB 3.46Å; F53-A196 VanDerWaalsContact CE1-CB 3.46Å; F53-A196 HydrophobicContact CG-CB 4.05Å; F53-A196 HydrophobicContact CZ-CB 4.07Å; C179-A196 HydrophobicContact CB-CB 4.17Å; C179-A196 WeakPolarHBondContact CB-O 3.26Å; C179-A196 WeakPolarHBondContact O-CB 3.48Å; A183-A196 HydrophobicContact CB-CB 3.77Å; F192-A196 PolarHBondContact O-N 3.22Å; A193-A196 WeakPolarHBondContact O-CB 3.42Å; A193-A196 PolarHBondContact O-N 3.24Å; A196-M198 PolarHBondContact O-N 3.21Å; A196-I199 PolarHBondContact O-N 2.95Å; A196-G200 PolarHBondContact O-N 3.49Å
197G98.3Very high97.6Very high11 Ų1143.4 Ų43.411%0.11321%0.212CC..Hα-helixtrans-59.6-43.7174.100000113.2A176 A193 K194 K195 I199 G200 H201A176-G197 WeakPolarHBondContact CA-O 3.17Å; A176-G197 VanDerWaalsContact CB-O 3.26Å; A176-G197 WeakPolarHBondContact CB-O 3.47Å; A176-G197 WeakPolarHBondContact O-CA 3.34Å; A193-G197 PolarHBondContact O-N 3.5Å; K194-G197 PolarHBondContact O-N 3.16Å; K195-G197 VanDerWaalsContact C-N 3.33Å; G197-I199 VanDerWaalsContact C-N 3.34Å; G197-I199 PolarHBondContact O-N 3.17Å; G197-G200 PolarHBondContact O-N 2.87Å; G197-H201 WeakPolarHBondContact O-CB 3.46Å; G197-H201 PolarHBondContact O-N 3.43Å
198M98.5Very high97.6Very high102 Ų10243.2 Ų43.250%0.50220%0.203SC..Hα-helixtrans-62-39.5174.9-70171.770.100112.8K194 K195 A196 H201 N202K194-M198 WeakPolarHBondContact O-CG 3.17Å; K194-M198 PolarHBondContact O-N 3.31Å; K195-M198 PolarHBondContact O-N 2.9Å; A196-M198 PolarHBondContact O-N 3.21Å; M198-H201 PolarHBondContact O-N 2.81Å; M198-N202 PolarHBondContact O-N 3.35Å; M198-N202 PolarHBondContact O-ND2 2.98Å
199I98.8Very high97.6Very high0 Ų041.6 Ų41.60%019%0.194CC..Hα-helixtrans-63-48.5173.8-69.2166000109.9F53 K195 A196 G197 H201 N202 I203 D296 I297 L300F53-I199 HydrophobicContact CE1-CD1 4.41Å; F53-I199 HydrophobicContact CE2-CG2 4.44Å; F53-I199 HydrophobicContact CZ-CB 4.19Å; F53-I199 HydrophobicContact CZ-CD1 4.11Å; F53-I199 HydrophobicContact CZ-CG2 3.98Å; K195-I199 HydrophobicContact CG-CD1 4.5Å; K195-I199 WeakPolarHBondContact O-CG1 3.4Å; K195-I199 PolarHBondContact O-N 3.29Å; A196-I199 PolarHBondContact O-N 2.95Å; G197-I199 VanDerWaalsContact C-N 3.34Å; G197-I199 PolarHBondContact O-N 3.17Å; I199-H201 VanDerWaalsContact C-N 3.31Å; I199-H201 PolarHBondContact O-N 3.18Å; I199-N202 PolarHBondContact O-N 3.3Å; I199-I203 HydrophobicContact CG2-CD1 3.73Å; I199-I203 HydrophobicContact CG2-CG1 4.45Å; I199-I203 VanDerWaalsContact O-CG1 3.29Å; I199-I203 WeakPolarHBondContact O-CG1 3.29Å; I199-I203 PolarHBondContact O-N 2.9Å; I199-D296 HydrophobicContact CD1-CB 4.13Å; I199-D296 HydrophobicContact CG1-CB 3.67Å; I199-I297 HydrophobicContact CD1-CG1 4.33Å; I199-I297 HydrophobicContact CG2-CD1 4.05Å; I199-I297 HydrophobicContact CG2-CG1 3.65Å; I199-L300 HydrophobicContact CD1-CD1 4.01Å; I199-L300 HydrophobicContact CD1-CD2 3.99Å; I199-L300 HydrophobicContact CD1-CG 4.11Å
200G98.6Very high97.5Very high0 Ų039.2 Ų39.20%018%0.175CC..Hα-helixtrans-58.2-42.3177.500000112.6F175 C179 A196 G197 I203 G204F175-G200 WeakPolarHBondContact CB-O 3.21Å; C179-G200 VanDerWaalsContact SG-CA 3.55Å; A196-G200 PolarHBondContact O-N 3.49Å; G197-G200 PolarHBondContact O-N 2.87Å; G200-I203 PolarHBondContact O-N 2.88Å; G200-G204 PolarHBondContact O-N 3.25Å
201H98.6Very high97.3Very high43 Ų4338.3 Ų38.320%0.19917%0.173CC..Hα-helixtrans-58.5-52.3176.8-175.7-90.1000111.7S168 A172 A176 G197 M198 I199 I203 G204 I205S168-H201 PolarHBondContact OG-NE2 3.14Å; A172-H201 WeakPolarHBondContact CB-O 3.31Å; A176-H201 HydrophobicContact CB-CB 3.99Å; G197-H201 WeakPolarHBondContact O-CB 3.46Å; G197-H201 PolarHBondContact O-N 3.43Å; M198-H201 PolarHBondContact O-N 2.81Å; I199-H201 VanDerWaalsContact C-N 3.31Å; I199-H201 PolarHBondContact O-N 3.18Å; H201-I203 VanDerWaalsContact C-N 3.31Å; H201-I203 PolarHBondContact O-N 3.01Å; H201-G204 PolarHBondContact O-N 3.01Å; H201-I205 WeakPolarHBondContact O-CG1 3.5Å; H201-I205 PolarHBondContact O-N 2.88Å
202N98.6Very high97.2Very high21 Ų2128.7 Ų28.711%0.11214%0.138CC..Hα-helixtrans-61.9-37.9178.4-70.7-32.9000112.8M198 I199 G204 A206 Y289 Q292 A293M198-N202 PolarHBondContact O-N 3.35Å; M198-N202 PolarHBondContact O-ND2 2.98Å; I199-N202 PolarHBondContact O-N 3.3Å; N202-G204 VanDerWaalsContact C-N 3.33Å; N202-A206 WeakPolarHBondContact O-CB 3.39Å; N202-A206 PolarHBondContact O-N 3.05Å; N202-Y289 HydrophobicContact CB-CD1 4.27Å; N202-Y289 WeakPolarHBondContact OD1-CD1 3.27Å; N202-Q292 WeakPolarHBondContact ND2-CG 3.31Å; N202-A293 HydrophobicContact CB-CB 3.92Å
203I98.5Very high96.9Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-61.4-45.2173.5-68168000110.3Y49 F175 I199 G200 H201 A206 F207 A293 I297 T315 I318Y49-I203 HydrophobicContact CD1-CD1 4.23Å; Y49-I203 HydrophobicContact CE1-CD1 3.62Å; Y49-I203 HydrophobicContact CE2-CG2 3.97Å; F175-I203 HydrophobicContact CD1-CG2 4.12Å; F175-I203 HydrophobicContact CE1-CG2 4.17Å; I199-I203 HydrophobicContact CG2-CD1 3.73Å; I199-I203 HydrophobicContact CG2-CG1 4.45Å; I199-I203 VanDerWaalsContact O-CG1 3.29Å; I199-I203 WeakPolarHBondContact O-CG1 3.29Å; I199-I203 PolarHBondContact O-N 2.9Å; G200-I203 PolarHBondContact O-N 2.88Å; H201-I203 VanDerWaalsContact C-N 3.31Å; H201-I203 PolarHBondContact O-N 3.01Å; I203-A206 PolarHBondContact O-N 3.33Å; I203-F207 WeakPolarHBondContact O-CB 3.23Å; I203-F207 PolarHBondContact O-N 2.88Å; I203-A293 HydrophobicContact CG1-CB 3.78Å; I203-I297 HydrophobicContact CD1-CD1 4.4Å; I203-T315 HydrophobicContact CD1-CG2 4.25Å; I203-T315 HydrophobicContact CG1-CG2 3.96Å; I203-I318 HydrophobicContact CG2-CD1 4.21Å
204G97.9Very high96.5Very high0 Ų030.5 Ų30.50%015%0.149CC..Hα-helixtrans-66.5-39.1-179.100000113.4G200 H201 N202 F207 Q208G200-G204 PolarHBondContact O-N 3.25Å; H201-G204 PolarHBondContact O-N 3.01Å; N202-G204 VanDerWaalsContact C-N 3.33Å; G204-F207 PolarHBondContact O-N 3.33Å; G204-Q208 PolarHBondContact O-N 3Å
205I98.4Very high95.8Very high1 Ų125.8 Ų25.81%0.00513%0.131CC..Hα-helixtrans-61.8-53.6172.9-65-66.7000110.5L164 I167 A172 H201 F207 Q208 I209 Y289L164-I205 HydrophobicContact CD2-CG2 4.15Å; I167-I205 HydrophobicContact CD1-CD1 3.78Å; I167-I205 HydrophobicContact CD1-CG2 3.97Å; I167-I205 HydrophobicContact CG1-CD1 3.8Å; A172-I205 HydrophobicContact CB-CD1 3.7Å; A172-I205 HydrophobicContact CB-CG1 3.76Å; H201-I205 WeakPolarHBondContact O-CG1 3.5Å; H201-I205 PolarHBondContact O-N 2.88Å; I205-F207 VanDerWaalsContact C-N 3.25Å; I205-F207 PolarHBondContact O-N 2.91Å; I205-Q208 PolarHBondContact O-N 2.8Å; I205-I209 HydrophobicContact CG2-CD1 3.76Å; I205-I209 HydrophobicContact CG2-CG1 4.49Å; I205-I209 WeakPolarHBondContact O-CG1 3.46Å; I205-I209 PolarHBondContact O-N 3.35Å; I205-Y289 HydrophobicContact CB-CD1 3.86Å; I205-Y289 HydrophobicContact CB-CD2 4.49Å; I205-Y289 HydrophobicContact CB-CE1 4.06Å; I205-Y289 HydrophobicContact CB-CG 4.09Å; I205-Y289 HydrophobicContact CG1-CD1 4.34Å; I205-Y289 HydrophobicContact CG1-CE1 4.11Å; I205-Y289 HydrophobicContact CG2-CD1 3.71Å; I205-Y289 HydrophobicContact CG2-CD2 3.5Å; I205-Y289 HydrophobicContact CG2-CE1 3.76Å; I205-Y289 HydrophobicContact CG2-CE2 3.56Å; I205-Y289 HydrophobicContact CG2-CG 3.58Å
206A97.7Very high95.4Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-59.1-40.6179.100000111.5N202 I203 I209 M210 L319N202-A206 WeakPolarHBondContact O-CB 3.39Å; N202-A206 PolarHBondContact O-N 3.05Å; I203-A206 PolarHBondContact O-N 3.33Å; A206-I209 PolarHBondContact O-N 3.17Å; A206-M210 WeakPolarHBondContact O-CB 3.27Å; A206-M210 WeakPolarHBondContact O-CG 3.31Å; A206-M210 PolarHBondContact O-N 2.8Å; A206-L319 HydrophobicContact CB-CD1 3.74Å; A206-L319 HydrophobicContact CB-CD2 3.89Å; A206-L319 HydrophobicContact CB-CG 4.4Å
207F96Very high94.6Very high39 Ų3926.5 Ų26.517%0.17114%0.135CC..Hα-helixtrans-60.9-45.8178-179-91.9000111.9L45 T171 F175 I203 G204 I205 M210 D211 L319L45-F207 HydrophobicContact CD1-CD2 4.07Å; L45-F207 HydrophobicContact CD1-CE2 3.47Å; L45-F207 VanDerWaalsContact CD1-CE2 3.47Å; L45-F207 HydrophobicContact CD1-CZ 4.05Å; T171-F207 HydrophobicContact CG2-CD1 4.43Å; F175-F207 HydrophobicContact CE2-CD1 4.07Å; F175-F207 HydrophobicContact CE2-CG 4.32Å; F175-F207 HydrophobicContact CZ-CD1 4.28Å; F175-F207 HydrophobicContact CZ-CG 4.21Å; I203-F207 WeakPolarHBondContact O-CB 3.23Å; I203-F207 PolarHBondContact O-N 2.88Å; G204-F207 PolarHBondContact O-N 3.33Å; I205-F207 VanDerWaalsContact C-N 3.25Å; I205-F207 PolarHBondContact O-N 2.91Å; F207-M210 PolarHBondContact O-N 3.31Å; F207-D211 PolarHBondContact O-N 3.31Å; F207-L319 HydrophobicContact CB-CD2 4.23Å
208Q96.1Very high93.3Very high28 Ų2827.1 Ų27.113%0.13114%0.139CC..Hα-helixtrans-65.6-45.7178.7-170.659.956.300111.6I167 T171 G204 I205 M210 D211 D212I167-Q208 HydrophobicContact CB-CB 4.35Å; I167-Q208 HydrophobicContact CB-CG 3.97Å; I167-Q208 HydrophobicContact CD1-CB 4.06Å; I167-Q208 HydrophobicContact CD1-CG 4.31Å; I167-Q208 HydrophobicContact CG2-CG 3.68Å; T171-Q208 HydrophobicContact CG2-CB 4.05Å; T171-Q208 PolarHBondContact OG1-OE1 3.04Å; G204-Q208 PolarHBondContact O-N 3Å; I205-Q208 PolarHBondContact O-N 2.8Å; Q208-M210 VanDerWaalsContact C-N 3.26Å; Q208-M210 PolarHBondContact O-N 3.38Å; Q208-D211 WeakPolarHBondContact O-CB 3.48Å; Q208-D211 PolarHBondContact O-N 2.93Å; Q208-D211 VanDerWaalsContact O-N 3.1Å; Q208-D212 PolarHBondContact NE2-OD1 3.46Å; Q208-D212 PolarHBondContact O-N 3.46Å
209I96.7Very high91.7Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-61.5-39.4178.7-60.6166.9000110.9Y163 I167 I205 A206 D211 D212 L213 L238 A282 L285 A286 Y289Y163-I209 HydrophobicContact CE1-CG1 4.14Å; I167-I209 HydrophobicContact CD1-CD1 4.48Å; I167-I209 HydrophobicContact CD1-CG1 3.99Å; I205-I209 HydrophobicContact CG2-CD1 3.76Å; I205-I209 HydrophobicContact CG2-CG1 4.49Å; I205-I209 WeakPolarHBondContact O-CG1 3.46Å; I205-I209 PolarHBondContact O-N 3.35Å; A206-I209 PolarHBondContact O-N 3.17Å; I209-D211 VanDerWaalsContact C-N 3.35Å; I209-D212 PolarHBondContact O-N 2.92Å; I209-L213 HydrophobicContact CG2-CD1 4.16Å; I209-L213 WeakPolarHBondContact O-CB 3.37Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.34Å; I209-L213 PolarHBondContact O-N 2.94Å; I209-L238 HydrophobicContact CB-CD2 4.47Å; I209-L238 HydrophobicContact CD1-CD2 3.92Å; I209-L238 HydrophobicContact CG1-CD2 3.94Å; I209-L238 HydrophobicContact CG2-CD2 3.66Å; I209-A282 HydrophobicContact CG2-CB 4.3Å; I209-A282 WeakPolarHBondContact CG2-O 3.45Å; I209-L285 HydrophobicContact CD1-CD2 4.09Å; I209-L285 HydrophobicContact CD1-CG 4.14Å; I209-A286 HydrophobicContact CB-CB 4.07Å; I209-A286 HydrophobicContact CG2-CB 3.73Å; I209-Y289 HydrophobicContact CD1-CD2 4.4Å
210M93.4Very high89.6Confident19 Ų1930.3 Ų30.39%0.09417%0.165CC..Hα-helixtrans-65.7-37175.9-73.1-62.7-59.400112.4A206 F207 Q208 L213 L214 Q283 A286 R321A206-M210 WeakPolarHBondContact O-CB 3.27Å; A206-M210 WeakPolarHBondContact O-CG 3.31Å; A206-M210 PolarHBondContact O-N 2.8Å; F207-M210 PolarHBondContact O-N 3.31Å; Q208-M210 VanDerWaalsContact C-N 3.26Å; Q208-M210 PolarHBondContact O-N 3.38Å; M210-L213 PolarHBondContact O-N 2.89Å; M210-L213 HydrophobicContact SD-CD1 4Å; M210-L214 WeakPolarHBondContact O-CG 3.18Å; M210-Q283 PolarHBondContact SD-NE2 2.88Å; M210-A286 HydrophobicContact CG-CB 4.12Å; M210-A286 HydrophobicContact SD-CB 3.88Å; M210-R321 VanDerWaalsContact CE-O 3.3Å; M210-R321 WeakPolarHBondContact CE-O 3.29Å
211D91.4Very high87.3Confident80 Ų8035.1 Ų35.143%0.42821%0.205SC..Hα-helixtrans-64.2-49.3175-157.858.1000110.3F207 Q208 I209 L213 L214F207-D211 PolarHBondContact O-N 3.31Å; Q208-D211 WeakPolarHBondContact O-CB 3.48Å; Q208-D211 PolarHBondContact O-N 2.93Å; Q208-D211 VanDerWaalsContact O-N 3.1Å; I209-D211 VanDerWaalsContact C-N 3.35Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.42Å; D211-L214 WeakPolarHBondContact O-CB 3.36Å; D211-L214 PolarHBondContact O-N 3.4Å
212D93.2Very high85.1Confident17 Ų1738.3 Ų38.39%0.09123%0.228CC..Hα-helixtrans-58-35.9176.4-73.119.2000112.9Y163 Q208 I209 L214 D215 Y216 S237Y163-D212 WeakPolarHBondContact CE2-OD2 3.24Å; Y163-D212 PolarHBondContact OH-OD2 3.25Å; Q208-D212 PolarHBondContact NE2-OD1 3.46Å; Q208-D212 PolarHBondContact O-N 3.46Å; I209-D212 PolarHBondContact O-N 2.92Å; D212-L214 VanDerWaalsContact C-N 3.28Å; D212-L214 PolarHBondContact O-N 2.97Å; D212-D215 PolarHBondContact O-N 3.42Å; D212-Y216 VanDerWaalsContact O-CD2 3.27Å; D212-Y216 WeakPolarHBondContact O-CD2 3.42Å; D212-S237 WeakPolarHBondContact OD2-CB 3.11Å
213L92.6Very high82.8Confident0 Ų040.2 Ų40.20%024%0.237CC..Hα-helixtrans-64-31.7177.4-84.7164.8000112.9I209 M210 D211 D215 Y216 Q217 P239 V279 A282 Q283 A286I209-L213 HydrophobicContact CG2-CD1 4.16Å; I209-L213 WeakPolarHBondContact O-CB 3.37Å; I209-L213 VanDerWaalsContact O-CG 3.3Å; I209-L213 WeakPolarHBondContact O-CG 3.34Å; I209-L213 PolarHBondContact O-N 2.94Å; M210-L213 PolarHBondContact O-N 2.89Å; M210-L213 HydrophobicContact SD-CD1 4Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.42Å; L213-D215 PolarHBondContact O-N 3.12Å; L213-Y216 PolarHBondContact O-N 2.93Å; L213-Q217 WeakPolarHBondContact O-CG 3.48Å; L213-Q217 PolarHBondContact O-N 2.91Å; L213-P239 HydrophobicContact CD2-CG 3.98Å; L213-P239 HydrophobicContact CG-CG 4.41Å; L213-V279 HydrophobicContact CD2-CB 4.47Å; L213-V279 HydrophobicContact CD2-CG1 3.92Å; L213-A282 HydrophobicContact CD2-CB 3.82Å; L213-A282 HydrophobicContact CG-CB 4.22Å; L213-Q283 HydrophobicContact CD1-CB 4.17Å; L213-A286 HydrophobicContact CD1-CB 4.44Å
214L88.7Confident80.3Confident70 Ų7044.3 Ų44.337%0.36628%0.279SS..Hα-helixtrans-62.3-34.4-177.7-64.1175.6000111.7M210 D211 D212 Y216 Q217 A218 S323M210-L214 WeakPolarHBondContact O-CG 3.18Å; D211-L214 WeakPolarHBondContact O-CB 3.36Å; D211-L214 PolarHBondContact O-N 3.4Å; D212-L214 VanDerWaalsContact C-N 3.28Å; D212-L214 PolarHBondContact O-N 2.97Å; L214-Y216 VanDerWaalsContact C-N 3.27Å; L214-Y216 PolarHBondContact O-N 2.79Å; L214-Q217 PolarHBondContact O-N 3.48Å; L214-A218 WeakPolarHBondContact O-CB 3.36Å; L214-A218 PolarHBondContact O-N 3.19Å; L214-A218 VanDerWaalsContact O-N 3.1Å; L214-S323 WeakPolarHBondContact CD2-OG 3.49Å
215D83.7Confident78.2Confident54 Ų5451.5 Ų51.529%0.28931%0.311SS..Hα-helixtrans-68-25.6-178.6-69.2-32.5000113.2D212 L213 L228D212-D215 PolarHBondContact O-N 3.42Å; L213-D215 PolarHBondContact O-N 3.12Å; D215-L228 HydrophobicContact CB-CD2 4.05Å
216Y89Confident76.4Confident0 Ų055.4 Ų55.40%034%0.336CS..Hα-helixtrans-95.3-21.4178.3-61.6-92.2000113.4D212 L213 L214 L228 S237 P239 L240 Q270 V273 Q274D212-Y216 VanDerWaalsContact O-CD2 3.27Å; D212-Y216 WeakPolarHBondContact O-CD2 3.42Å; L213-Y216 PolarHBondContact O-N 2.93Å; L214-Y216 VanDerWaalsContact C-N 3.27Å; L214-Y216 PolarHBondContact O-N 2.79Å; Y216-L228 HydrophobicContact CD1-CD1 4.24Å; Y216-L228 HydrophobicContact CD1-CD2 3.8Å; Y216-L228 HydrophobicContact CD2-CD2 4.25Å; Y216-L228 HydrophobicContact CE1-CD1 3.98Å; Y216-L228 HydrophobicContact CE1-CD2 3.46Å; Y216-L228 VanDerWaalsContact CE1-CD2 3.46Å; Y216-L228 HydrophobicContact CE1-CG 4.39Å; Y216-L228 HydrophobicContact CE2-CD2 3.95Å; Y216-L228 HydrophobicContact CG-CD2 4.18Å; Y216-S237 WeakPolarHBondContact CE2-OG 3.5Å; Y216-S237 PolarHBondContact OH-OG 2.97Å; Y216-P239 HydrophobicContact CD1-CB 4.35Å; Y216-P239 HydrophobicContact CD2-CB 3.72Å; Y216-P239 HydrophobicContact CD2-CG 3.62Å; Y216-P239 HydrophobicContact CE1-CB 4.44Å; Y216-P239 HydrophobicContact CE2-CB 3.83Å; Y216-P239 HydrophobicContact CE2-CG 3.76Å; Y216-P239 HydrophobicContact CG-CB 3.99Å; Y216-P239 HydrophobicContact CG-CG 4.32Å; Y216-L240 HydrophobicContact CE1-CB 4.24Å; Y216-L240 VanDerWaalsContact OH-CB 3.28Å; Y216-L240 WeakPolarHBondContact OH-CB 3.43Å; Y216-Q270 PolarHBondContact O-NE2 2.82Å; Y216-V273 HydrophobicContact CD1-CB 3.93Å; Y216-V273 HydrophobicContact CD1-CG1 3.58Å; Y216-V273 HydrophobicContact CD1-CG2 4.23Å; Y216-V273 HydrophobicContact CE1-CB 4.17Å; Y216-V273 HydrophobicContact CE1-CG1 3.88Å; Y216-V273 HydrophobicContact CE1-CG2 3.95Å; Y216-V273 HydrophobicContact CG-CG1 4.24Å; Y216-Q274 PolarHBondContact O-NE2 2.82Å
217Q82.1Confident75.1Confident72 Ų7256 Ų5634%0.33634%0.339SS..Hα-helixtrans-92.9-19.1-179-70-179.7-17.200113.6L213 L214 D219 V279L213-Q217 WeakPolarHBondContact O-CG 3.48Å; L213-Q217 PolarHBondContact O-N 2.91Å; L214-Q217 PolarHBondContact O-N 3.48Å; Q217-D219 PolarHBondContact O-N 3.49Å; Q217-V279 HydrophobicContact CG-CG1 4.06Å
218A70.9Confident74.4Confident23 Ų2354.4 Ų54.419%0.1933%0.333CS..SBendtrans-68.3131.7-178.200000112.2L214 A220 L223 Q270L214-A218 WeakPolarHBondContact O-CB 3.36Å; L214-A218 PolarHBondContact O-N 3.19Å; L214-A218 VanDerWaalsContact O-N 3.1Å; A218-A220 PolarHBondContact O-N 2.92Å; A218-L223 HydrophobicContact CB-CD1 3.19Å; A218-L223 HydrophobicContact CB-CG 3.74Å; A218-Q270 PolarHBondContact O-NE2 3.3Å
219D64.6Low73.9Confident120 Ų12055.9 Ų55.964%0.64234%0.34SS*.  trans-60.9129.5166.6-80.5-32.8000109.1Q217 A221 T222Q217-D219 PolarHBondContact O-N 3.49Å; D219-A221 PolarHBondContact O-N 2.92Å; D219-T222 WeakPolarHBondContact O-CB 3.49Å; D219-T222 PolarHBondContact O-N 3.08Å
220A54.6Low73.5Confident50 Ų5059.7 Ų59.741%0.41336%0.36SS..THydrogen-bonded Turntrans-53.5-27.217900000113.1A218 T222 V227 L267A218-A220 PolarHBondContact O-N 2.92Å; A220-T222 VanDerWaalsContact C-N 3.34Å; A220-V227 HydrophobicContact CB-CG2 4.11Å; A220-L267 HydrophobicContact CB-CD2 3.76Å
221A51.4Low73.6Confident101 Ų10158.8 Ų58.884%0.83536%0.356SS*.THydrogen-bonded Turntrans-71-24.3175.800000114D219D219-A221 PolarHBondContact O-N 2.92Å
222T51.5Low73.6Confident110 Ų11058 Ų5868%0.67535%0.347SS*.THydrogen-bonded Turntrans-90.4-26.9-169.5-51.70000112.8D219 A220D219-T222 WeakPolarHBondContact O-CB 3.49Å; D219-T222 PolarHBondContact O-N 3.08Å; A220-T222 VanDerWaalsContact C-N 3.34Å
223L49.5Very low73.5Confident60 Ų6060.1 Ų60.131%0.31436%0.356SS..  trans-85.7-24.5-168.1-93.2169.3000115.7A218 K225A218-L223 HydrophobicContact CB-CD1 3.19Å; A218-L223 HydrophobicContact CB-CG 3.74Å; L223-K225 PolarHBondContact O-N 3.37Å
224G46.1Very low73.6Confident86 Ų8660.1 Ų60.189%0.88736%0.356SS*.  trans54.910.1-175.800000114.8
225K54.5Low73.8Confident152 Ų15258 Ų5866%0.66135%0.346SS*.SBendtrans-122.6156.9-178.5-73.1-178178.8-175.60108.7L223 V227L223-K225 PolarHBondContact O-N 3.37Å; K225-V227 PolarHBondContact O-N 3.14Å
226P59.9Low74.4Confident83 Ų8355.7 Ų55.754%0.53933%0.333SS..  trans-55.5124.1167.9-15.828.4000109.2E229P226-E229 HydrophobicContact CB-CB 4.4Å; P226-E229 WeakPolarHBondContact CB-OE2 3.34Å
227V70.1Confident74.8Confident11 Ų1156.2 Ų56.27%0.06734%0.337CS..THydrogen-bonded Turntrans-66.8134.7174.8174.10000108.2A220 K225 E229 T266A220-V227 HydrophobicContact CB-CG2 4.11Å; K225-V227 PolarHBondContact O-N 3.14Å; V227-E229 PolarHBondContact O-N 3.33Å; V227-T266 WeakPolarHBondContact O-CB 3.45Å
228L82.9Confident75.6Confident7 Ų752.8 Ų52.84%0.03732%0.321CS..THydrogen-bonded Turntrans53.844.2176.8-61.1175.7000114.3D215 Y216 D230 V231 R232 V269 Q270D215-L228 HydrophobicContact CB-CD2 4.05Å; Y216-L228 HydrophobicContact CD1-CD1 4.24Å; Y216-L228 HydrophobicContact CD1-CD2 3.8Å; Y216-L228 HydrophobicContact CD2-CD2 4.25Å; Y216-L228 HydrophobicContact CE1-CD1 3.98Å; Y216-L228 HydrophobicContact CE1-CD2 3.46Å; Y216-L228 VanDerWaalsContact CE1-CD2 3.46Å; Y216-L228 HydrophobicContact CE1-CG 4.39Å; Y216-L228 HydrophobicContact CE2-CD2 3.95Å; Y216-L228 HydrophobicContact CG-CD2 4.18Å; L228-D230 PolarHBondContact O-N 2.87Å; L228-V231 HydrophobicContact CB-CB 4.06Å; L228-V231 HydrophobicContact CB-CG2 3.82Å; L228-V231 HydrophobicContact CD1-CG2 4.38Å; L228-V231 HydrophobicContact CD2-CG2 4.06Å; L228-V231 HydrophobicContact CG-CG2 4.31Å; L228-V231 WeakPolarHBondContact O-CB 3.46Å; L228-V231 PolarHBondContact O-N 3.06Å; L228-V231 VanDerWaalsContact O-N 3.15Å; L228-R232 PolarHBondContact O-N 3.48Å; L228-V269 HydrophobicContact CD1-CB 4.4Å; L228-V269 HydrophobicContact CD1-CG1 4.03Å; L228-Q270 HydrophobicContact CD1-CB 3.97Å
229E84.4Confident76.8Confident58 Ų5851.7 Ų51.727%0.27131%0.312SS..Hα-helixtrans-58.5-37.7175.8-173.456.9-147.100111.9P226 V227 V231 R232 Q233P226-E229 HydrophobicContact CB-CB 4.4Å; P226-E229 WeakPolarHBondContact CB-OE2 3.34Å; V227-E229 PolarHBondContact O-N 3.33Å; E229-V231 VanDerWaalsContact C-N 3.26Å; E229-V231 PolarHBondContact O-N 3.3Å; E229-R232 WeakPolarHBondContact O-CA 3.46Å; E229-R232 WeakPolarHBondContact O-CB 3.29Å; E229-R232 PolarHBondContact O-N 3.25Å; E229-R232 IonicContact OE1-NH1 3.55Å; E229-R232 IonicContact OE2-CZ 3.77Å; E229-R232 IonicContact OE2-NH1 2.78Å; E229-R232 PolarHBondContact OE2-NH1 3.01Å; E229-Q233 PolarHBondContact O-N 2.9Å; E229-Q233 VanDerWaalsContact O-N 3.12Å; E229-Q233 PolarHBondContact OE1-NE2 3.38Å
230D89.6Confident78.4Confident80 Ų8046 Ų4643%0.42828%0.281SS..Hα-helixtrans-57.7-39176.9-69.1-4.3000112.2L228 R232 Q233 G234 V235L228-D230 PolarHBondContact O-N 2.87Å; D230-R232 VanDerWaalsContact C-N 3.3Å; D230-R232 PolarHBondContact O-N 3.09Å; D230-Q233 CarbonylContact O-C 3.55Å; D230-Q233 WeakPolarHBondContact O-CA 3.44Å; D230-Q233 PolarHBondContact O-N 3.2Å; D230-Q233 VanDerWaalsContact O-N 3.09Å; D230-G234 PolarHBondContact O-N 3.23Å; D230-V235 CarbonylContact C-O 3.47Å; D230-V235 HydrophobicContact CB-CB 4.2Å; D230-V235 PolarHBondContact O-N 2.62Å
231V94.1Very high80.5Confident1 Ų143.6 Ų43.61%0.00626%0.262CS..Hα-helixtrans-62.6-38175.5178.30000111.1L228 E229 Q233 G234 Y236 L240 L255 M261L228-V231 HydrophobicContact CB-CB 4.06Å; L228-V231 HydrophobicContact CB-CG2 3.82Å; L228-V231 HydrophobicContact CD1-CG2 4.38Å; L228-V231 HydrophobicContact CD2-CG2 4.06Å; L228-V231 HydrophobicContact CG-CG2 4.31Å; L228-V231 WeakPolarHBondContact O-CB 3.46Å; L228-V231 PolarHBondContact O-N 3.06Å; L228-V231 VanDerWaalsContact O-N 3.15Å; E229-V231 VanDerWaalsContact C-N 3.26Å; E229-V231 PolarHBondContact O-N 3.3Å; V231-Q233 VanDerWaalsContact C-N 3.27Å; V231-Q233 PolarHBondContact O-N 3.48Å; V231-G234 PolarHBondContact O-N 3.41Å; V231-G234 VanDerWaalsContact O-N 3.07Å; V231-Y236 HydrophobicContact CG1-CD1 4.38Å; V231-Y236 HydrophobicContact CG1-CE1 4.07Å; V231-L240 HydrophobicContact CG1-CD2 4.01Å; V231-L240 HydrophobicContact CG2-CD2 3.93Å; V231-L255 HydrophobicContact CG1-CD2 3.42Å; V231-L255 VanDerWaalsContact CG1-CD2 3.42Å; V231-M261 HydrophobicContact CG1-CE 4.2Å; V231-M261 HydrophobicContact CG1-SD 4.18Å
232R92.2Very high82.7Confident64 Ų6440.7 Ų40.724%0.24223%0.229CC..Hα-helixtrans-68.5-29.1176.9-57.1177.664.1-144-2.3112.2Y154 L228 E229 D230 G234 Q258 K259 M261 T266Y154-R232 PolarHBondContact OH-O 3.04Å; L228-R232 PolarHBondContact O-N 3.48Å; E229-R232 WeakPolarHBondContact O-CA 3.46Å; E229-R232 WeakPolarHBondContact O-CB 3.29Å; E229-R232 PolarHBondContact O-N 3.25Å; E229-R232 IonicContact OE1-NH1 3.55Å; E229-R232 IonicContact OE2-CZ 3.77Å; E229-R232 IonicContact OE2-NH1 2.78Å; E229-R232 PolarHBondContact OE2-NH1 3.01Å; D230-R232 VanDerWaalsContact C-N 3.3Å; D230-R232 PolarHBondContact O-N 3.09Å; R232-G234 VanDerWaalsContact C-N 3.27Å; R232-Q258 CarbonylContact O-C 3.52Å; R232-K259 PolarHBondContact NH2-O 3.38Å; R232-K259 PolarHBondContact O-N 3.28Å; R232-M261 HydrophobicContact CG-CB 4.1Å; R232-M261 HydrophobicContact CG-SD 4.24Å; R232-M261 PolarHBondContact NE-O 3.23Å; R232-T266 HydrophobicContact CG-CG2 4.08Å
233Q90.8Very high84.9Confident61 Ų6135.5 Ų35.529%0.28520%0.197SC..THydrogen-bonded Turntrans-83.3-2.8173.2-57.4-54-34.400113.2Y154 E229 D230 V231 K259Y154-Q233 WeakPolarHBondContact CE2-O 3.34Å; Y154-Q233 VanDerWaalsContact CZ-O 3.23Å; Y154-Q233 VanDerWaalsContact OH-C 3.22Å; Y154-Q233 WeakPolarHBondContact OH-CA 3.29Å; Y154-Q233 PolarHBondContact OH-O 3.43Å; E229-Q233 PolarHBondContact O-N 2.9Å; E229-Q233 VanDerWaalsContact O-N 3.12Å; E229-Q233 PolarHBondContact OE1-NE2 3.38Å; D230-Q233 CarbonylContact O-C 3.55Å; D230-Q233 WeakPolarHBondContact O-CA 3.44Å; D230-Q233 PolarHBondContact O-N 3.2Å; D230-Q233 VanDerWaalsContact O-N 3.09Å; V231-Q233 VanDerWaalsContact C-N 3.27Å; V231-Q233 PolarHBondContact O-N 3.48Å; Q233-K259 VanDerWaalsContact OE1-CE 3.26Å
234G94.1Very high87.2Confident0 Ų033.1 Ų33.10%019%0.185CC..THydrogen-bonded Turntrans83.99.5178.600000114.1R153 Y154 D230 V231 R232 Y236R153-G234 CarbonylContact C-O 3.57Å; R153-G234 WeakPolarHBondContact CA-O 2.97Å; Y154-G234 PolarHBondContact N-O 2.96Å; D230-G234 PolarHBondContact O-N 3.23Å; V231-G234 PolarHBondContact O-N 3.41Å; V231-G234 VanDerWaalsContact O-N 3.07Å; R232-G234 VanDerWaalsContact C-N 3.27Å; G234-Y236 PolarHBondContact O-N 3.1Å
235V94.4Very high89.6Confident25 Ų2533.3 Ų33.315%0.15217%0.166CC..  trans-86.2106.3174.7-1790000107.7Q149 R153 D230Q149-V235 HydrophobicContact CG-CG1 4.3Å; R153-V235 HydrophobicContact CG-CG2 4.43Å; D230-V235 CarbonylContact C-O 3.47Å; D230-V235 HydrophobicContact CB-CB 4.2Å; D230-V235 PolarHBondContact O-N 2.62Å
236Y96.5Very high91.5Very high6 Ų631.2 Ų31.22%0.02416%0.158CC..  trans-97.7120.2-178.8-58.6-23000110.4K155 L156 V231 G234 L240 I241 L244 L255K155-Y236 WeakPolarHBondContact O-CD2 3.48Å; L156-Y236 HydrophobicContact CD2-CE2 3.93Å; V231-Y236 HydrophobicContact CG1-CD1 4.38Å; V231-Y236 HydrophobicContact CG1-CE1 4.07Å; G234-Y236 PolarHBondContact O-N 3.1Å; Y236-L240 HydrophobicContact CD1-CD2 3.44Å; Y236-L240 VanDerWaalsContact CD1-CD2 3.44Å; Y236-L240 HydrophobicContact CE1-CD2 4.04Å; Y236-L240 HydrophobicContact CG-CD2 3.73Å; Y236-I241 WeakPolarHBondContact O-CD1 3.31Å; Y236-L244 HydrophobicContact CD2-CD1 4.31Å; Y236-L255 HydrophobicContact CE1-CD2 4.16Å
237S96.7Very high93.1Very high10 Ų1029.5 Ų29.57%0.0714%0.144CC..  trans-91.3167.2177.943.80000112.2D212 Y216 P239 L240 I241D212-S237 WeakPolarHBondContact OD2-CB 3.11Å; Y216-S237 WeakPolarHBondContact CE2-OG 3.5Å; Y216-S237 PolarHBondContact OH-OG 2.97Å; S237-P239 VanDerWaalsContact C-CD 3.44Å; S237-L240 PolarHBondContact O-N 3.39Å; S237-I241 PolarHBondContact O-N 3.27Å
238L97.9Very high94.2Very high0 Ų031.1 Ų31.10%015%0.153CC..Hα-helixtrans-51-42.4-171-170.962.6000115.1V160 Y163 I209 L240 I241 Y242 A282 L285V160-L238 HydrophobicContact CG1-CD1 3.97Å; V160-L238 HydrophobicContact CG2-CD1 4.24Å; Y163-L238 HydrophobicContact CD1-CB 4.11Å; Y163-L238 HydrophobicContact CD1-CD1 3.78Å; Y163-L238 HydrophobicContact CD1-CG 4.38Å; Y163-L238 HydrophobicContact CE1-CB 3.66Å; Y163-L238 HydrophobicContact CE1-CD1 4.03Å; Y163-L238 HydrophobicContact CE1-CD2 4.1Å; Y163-L238 HydrophobicContact CE1-CG 4.14Å; Y163-L238 HydrophobicContact CE2-CB 4.08Å; Y163-L238 HydrophobicContact CG-CD1 4.39Å; I209-L238 HydrophobicContact CB-CD2 4.47Å; I209-L238 HydrophobicContact CD1-CD2 3.92Å; I209-L238 HydrophobicContact CG1-CD2 3.94Å; I209-L238 HydrophobicContact CG2-CD2 3.66Å; L238-L240 VanDerWaalsContact C-N 3.33Å; L238-L240 PolarHBondContact O-N 3.16Å; L238-I241 PolarHBondContact O-N 2.92Å; L238-Y242 HydrophobicContact CD1-CD2 3.8Å; L238-Y242 HydrophobicContact CD1-CE2 3.46Å; L238-Y242 VanDerWaalsContact CD1-CE2 3.46Å; L238-Y242 HydrophobicContact CD2-CD2 4.42Å; L238-Y242 HydrophobicContact CD2-CE2 3.8Å; L238-Y242 HydrophobicContact CG-CD2 3.69Å; L238-Y242 HydrophobicContact CG-CE2 3.48Å; L238-Y242 VanDerWaalsContact CG-CE2 3.48Å; L238-Y242 WeakPolarHBondContact O-CD2 3.41Å; L238-Y242 PolarHBondContact O-N 3.39Å; L238-A282 HydrophobicContact CB-CB 4.26Å; L238-A282 HydrophobicContact CD2-CB 3.88Å; L238-A282 HydrophobicContact CG-CB 3.93Å; L238-L285 HydrophobicContact CD2-CB 4.27Å; L238-L285 HydrophobicContact CD2-CD2 3.68Å
239P97.6Very high94.8Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-58.9-43.3177.9-25.236.1000112.9L213 Y216 S237 A243 V273 G278 V279 A282L213-P239 HydrophobicContact CD2-CG 3.98Å; L213-P239 HydrophobicContact CG-CG 4.41Å; Y216-P239 HydrophobicContact CD1-CB 4.35Å; Y216-P239 HydrophobicContact CD2-CB 3.72Å; Y216-P239 HydrophobicContact CD2-CG 3.62Å; Y216-P239 HydrophobicContact CE1-CB 4.44Å; Y216-P239 HydrophobicContact CE2-CB 3.83Å; Y216-P239 HydrophobicContact CE2-CG 3.76Å; Y216-P239 HydrophobicContact CG-CB 3.99Å; Y216-P239 HydrophobicContact CG-CG 4.32Å; S237-P239 VanDerWaalsContact C-CD 3.44Å; P239-A243 PolarHBondContact O-N 3.38Å; P239-A243 VanDerWaalsContact O-N 3.1Å; P239-V273 HydrophobicContact CB-CG1 3.69Å; P239-V273 WeakPolarHBondContact O-CG1 3.41Å; P239-G278 VanDerWaalsContact O-CA 3.29Å; P239-G278 WeakPolarHBondContact O-CA 3.31Å; P239-V279 HydrophobicContact CB-CG2 4.47Å; P239-A282 HydrophobicContact CB-CB 4.38Å; P239-A282 HydrophobicContact CG-CB 3.77Å
240L98.1Very high95.4Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-69.3-39.9178.2177.559.6000111.9Y216 V231 Y236 S237 L238 Y242 A243 L244 L251 L255 V269 V273Y216-L240 HydrophobicContact CE1-CB 4.24Å; Y216-L240 VanDerWaalsContact OH-CB 3.28Å; Y216-L240 WeakPolarHBondContact OH-CB 3.43Å; V231-L240 HydrophobicContact CG1-CD2 4.01Å; V231-L240 HydrophobicContact CG2-CD2 3.93Å; Y236-L240 HydrophobicContact CD1-CD2 3.44Å; Y236-L240 VanDerWaalsContact CD1-CD2 3.44Å; Y236-L240 HydrophobicContact CE1-CD2 4.04Å; Y236-L240 HydrophobicContact CG-CD2 3.73Å; S237-L240 PolarHBondContact O-N 3.39Å; L238-L240 VanDerWaalsContact C-N 3.33Å; L238-L240 PolarHBondContact O-N 3.16Å; L240-Y242 PolarHBondContact O-N 2.72Å; L240-A243 PolarHBondContact O-N 2.94Å; L240-L244 HydrophobicContact CD1-CD1 4.34Å; L240-L244 HydrophobicContact CD1-CG 4.19Å; L240-L244 HydrophobicContact CG-CD1 4.05Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 WeakPolarHBondContact O-CB 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.27Å; L240-L244 PolarHBondContact O-N 3.48Å; L240-L251 HydrophobicContact CD1-CD1 3.9Å; L240-L251 HydrophobicContact CD1-CD2 4.11Å; L240-L255 HydrophobicContact CD1-CD1 4.25Å; L240-L255 HydrophobicContact CD2-CD1 4.4Å; L240-L255 HydrophobicContact CD2-CD2 4.07Å; L240-V269 HydrophobicContact CD1-CG1 4.14Å; L240-V273 HydrophobicContact CB-CG2 4.26Å; L240-V273 HydrophobicContact CD1-CG2 3.63Å
241I98.3Very high95.7Very high1 Ų132.2 Ų32.21%0.00516%0.164CC..Hα-helixtrans-60.3-46176.5-67.7171.1000110.9Q158 V160 Y163 Y236 S237 L238 A243 L244 N245Q158-I241 HydrophobicContact CB-CD1 4.5Å; Q158-I241 HydrophobicContact CG-CD1 4.06Å; Q158-I241 WeakPolarHBondContact O-CG2 3.45Å; V160-I241 HydrophobicContact CG2-CG2 3.97Å; Y163-I241 VanDerWaalsContact CB-CD1 3.5Å; Y163-I241 HydrophobicContact CD2-CD1 3.83Å; Y163-I241 HydrophobicContact CG-CD1 3.88Å; Y236-I241 WeakPolarHBondContact O-CD1 3.31Å; S237-I241 PolarHBondContact O-N 3.27Å; L238-I241 PolarHBondContact O-N 2.92Å; I241-A243 VanDerWaalsContact C-N 3.33Å; I241-A243 PolarHBondContact O-N 3.11Å; I241-L244 PolarHBondContact O-N 3.28Å; I241-N245 PolarHBondContact O-N 2.77Å; I241-N245 PolarHBondContact O-ND2 3.34Å
242Y98.3Very high95.8Very high40 Ų4037.7 Ų37.716%0.15719%0.185CC..Hα-helixtrans-60.3-43.4174.5-83.8-56.3000112.1V160 L238 L240 N245 Q246 Y281 A282V160-Y242 HydrophobicContact CG2-CD1 4.04Å; V160-Y242 HydrophobicContact CG2-CE1 3.65Å; L238-Y242 HydrophobicContact CD1-CD2 3.8Å; L238-Y242 HydrophobicContact CD1-CE2 3.46Å; L238-Y242 VanDerWaalsContact CD1-CE2 3.46Å; L238-Y242 HydrophobicContact CD2-CD2 4.42Å; L238-Y242 HydrophobicContact CD2-CE2 3.8Å; L238-Y242 HydrophobicContact CG-CD2 3.69Å; L238-Y242 HydrophobicContact CG-CE2 3.48Å; L238-Y242 VanDerWaalsContact CG-CE2 3.48Å; L238-Y242 WeakPolarHBondContact O-CD2 3.41Å; L238-Y242 PolarHBondContact O-N 3.39Å; L240-Y242 PolarHBondContact O-N 2.72Å; Y242-N245 PolarHBondContact O-N 2.96Å; Y242-Q246 WeakPolarHBondContact O-CG 3.43Å; Y242-Q246 PolarHBondContact O-N 3.26Å; Y242-Q246 VanDerWaalsContact O-N 3.15Å; Y242-Y281 HydrophobicContact CD1-CG 4.31Å; Y242-Y281 VanDerWaalsContact CD2-CB 3.48Å; Y242-Y281 HydrophobicContact CG-CG 4.34Å; Y242-A282 HydrophobicContact CD2-CB 4.27Å; Y242-A282 HydrophobicContact CE2-CB 4.48Å
243A97.9Very high96.1Very high0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-64.6-40.1178.600000112.6P239 L240 I241 N245 Q246 D247 L251 V273 L276P239-A243 PolarHBondContact O-N 3.38Å; P239-A243 VanDerWaalsContact O-N 3.1Å; L240-A243 PolarHBondContact O-N 2.94Å; I241-A243 VanDerWaalsContact C-N 3.33Å; I241-A243 PolarHBondContact O-N 3.11Å; A243-N245 VanDerWaalsContact C-N 3.3Å; A243-N245 PolarHBondContact O-N 2.7Å; A243-Q246 PolarHBondContact O-N 2.86Å; A243-Q246 VanDerWaalsContact O-N 3.14Å; A243-D247 PolarHBondContact O-N 3Å; A243-L251 HydrophobicContact CB-CD1 3.73Å; A243-V273 HydrophobicContact CB-CB 4.24Å; A243-V273 HydrophobicContact CB-CG1 4.33Å; A243-V273 HydrophobicContact CB-CG2 3.9Å; A243-L276 HydrophobicContact CB-CB 3.94Å; A243-L276 HydrophobicContact CB-CD1 4.1Å
244L97.6Very high96.4Very high10 Ų1038 Ų385%0.05219%0.193CC..Hα-helixtrans-61.8-37.2174.2-74.4168.7000112.3Y236 L240 I241 Q246 N248 L251 L255Y236-L244 HydrophobicContact CD2-CD1 4.31Å; L240-L244 HydrophobicContact CD1-CD1 4.34Å; L240-L244 HydrophobicContact CD1-CG 4.19Å; L240-L244 HydrophobicContact CG-CD1 4.05Å; L240-L244 HydrophobicContact CG-CG 4.38Å; L240-L244 WeakPolarHBondContact O-CB 3.31Å; L240-L244 WeakPolarHBondContact O-CG 3.27Å; L240-L244 PolarHBondContact O-N 3.48Å; I241-L244 PolarHBondContact O-N 3.28Å; L244-Q246 VanDerWaalsContact C-N 3.3Å; L244-Q246 PolarHBondContact O-N 3.45Å; L244-N248 WeakPolarHBondContact CD2-ND2 3.46Å; L244-N248 PolarHBondContact O-N 2.91Å; L244-N248 VanDerWaalsContact O-N 3.09Å; L244-L251 HydrophobicContact CD2-CB 3.8Å; L244-L251 HydrophobicContact CD2-CD1 3.83Å; L244-L251 HydrophobicContact CD2-CG 4.49Å; L244-L251 HydrophobicContact CG-CD1 4Å; L244-L255 HydrophobicContact CD1-CD1 4.11Å; L244-L255 HydrophobicContact CD2-CD1 3.68Å; L244-L255 HydrophobicContact CG-CD1 4.33Å
245N95.3Very high96.5Very high91 Ų9138 Ų3849%0.48719%0.194SC..Hα-helixtrans-69-27.2175.6-72.8-22.9000113I241 Y242 A243I241-N245 PolarHBondContact O-N 2.77Å; I241-N245 PolarHBondContact O-ND2 3.34Å; Y242-N245 PolarHBondContact O-N 2.96Å; A243-N245 VanDerWaalsContact C-N 3.3Å; A243-N245 PolarHBondContact O-N 2.7Å
246Q94.9Very high96.6Very high107 Ų10741.9 Ų41.950%0.521%0.21SC..Hα-helixtrans-78.6-52.3174.2-63.4-57.3-34.900111.6Y242 A243 L244 L276Y242-Q246 WeakPolarHBondContact O-CG 3.43Å; Y242-Q246 PolarHBondContact O-N 3.26Å; Y242-Q246 VanDerWaalsContact O-N 3.15Å; A243-Q246 PolarHBondContact O-N 2.86Å; A243-Q246 VanDerWaalsContact O-N 3.14Å; L244-Q246 VanDerWaalsContact C-N 3.3Å; L244-Q246 PolarHBondContact O-N 3.45Å; Q246-L276 HydrophobicContact CB-CB 4.34Å; Q246-L276 HydrophobicContact CB-CD2 4.38Å; Q246-L276 WeakPolarHBondContact CG-O 3.36Å
247D94Very high96.6Very high47 Ų4745.5 Ų45.525%0.25123%0.226SC..Hα-helixtrans-153.389179.1-166.7-16.5000112.5A243 S249 Q250 L276A243-D247 PolarHBondContact O-N 3Å; D247-S249 PolarHBondContact O-N 2.84Å; D247-S249 WeakPolarHBondContact OD1-CB 3.32Å; D247-S249 PolarHBondContact OD1-N 3.47Å; D247-S249 PolarHBondContact OD1-OG 3.46Å; D247-Q250 WeakPolarHBondContact OD2-CG 3.38Å; D247-Q250 PolarHBondContact OD2-NE2 3.27Å; D247-L276 HydrophobicContact CB-CD1 4.25Å; D247-L276 HydrophobicContact CB-CD2 3.8Å
248N92.8Very high96.5Very high46 Ų4649.2 Ų49.225%0.24624%0.242CC..Hα-helixtrans-59.4-31.7175.2-166.2-82.6000112.7L156 L244 Q250 L251 R252L156-N248 PolarHBondContact O-ND2 2.74Å; L156-N248 VanDerWaalsContact O-ND2 3.11Å; L244-N248 WeakPolarHBondContact CD2-ND2 3.46Å; L244-N248 PolarHBondContact O-N 2.91Å; L244-N248 VanDerWaalsContact O-N 3.09Å; N248-Q250 VanDerWaalsContact C-N 3.3Å; N248-Q250 PolarHBondContact O-N 3.12Å; N248-L251 PolarHBondContact O-N 2.94Å; N248-R252 WeakPolarHBondContact O-CB 3.28Å; N248-R252 PolarHBondContact O-N 3.5Å
249S95.8Very high96.3Very high84 Ų8454.4 Ų54.459%0.58727%0.265SS*.Hα-helixtrans-68-28.8-170.376.20000113.5D247 P253D247-S249 PolarHBondContact O-N 2.84Å; D247-S249 WeakPolarHBondContact OD1-CB 3.32Å; D247-S249 PolarHBondContact OD1-N 3.47Å; D247-S249 PolarHBondContact OD1-OG 3.46Å; S249-P253 VanDerWaalsContact O-CD 3.26Å; S249-P253 WeakPolarHBondContact O-CD 3.28Å
250Q95.9Very high96.1Very high83 Ų8362 Ų6239%0.38830%0.3SS..Hα-helixtrans-78.8-34178-67.5-171.959.500112.8D247 N248 Y254 L272D247-Q250 WeakPolarHBondContact OD2-CG 3.38Å; D247-Q250 PolarHBondContact OD2-NE2 3.27Å; N248-Q250 VanDerWaalsContact C-N 3.3Å; N248-Q250 PolarHBondContact O-N 3.12Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.43Å; Q250-Y254 WeakPolarHBondContact O-CE2 3.44Å; Q250-L272 HydrophobicContact CB-CD1 4.28Å; Q250-L272 HydrophobicContact CB-CD2 4.23Å; Q250-L272 WeakPolarHBondContact O-CD1 3.23Å
251L97.4Very high96Very high0 Ų062.1 Ų62.10%030%0.301CS..Hα-helixtrans-86.7-36.3-176.7-74163.6000112.7L240 A243 L244 N248 P253 Y254 L255 V269 L272 V273 L276L240-L251 HydrophobicContact CD1-CD1 3.9Å; L240-L251 HydrophobicContact CD1-CD2 4.11Å; A243-L251 HydrophobicContact CB-CD1 3.73Å; L244-L251 HydrophobicContact CD2-CB 3.8Å; L244-L251 HydrophobicContact CD2-CD1 3.83Å; L244-L251 HydrophobicContact CD2-CG 4.49Å; L244-L251 HydrophobicContact CG-CD1 4Å; N248-L251 PolarHBondContact O-N 2.94Å; L251-P253 VanDerWaalsContact C-CD 3.45Å; L251-Y254 WeakPolarHBondContact O-CB 3.4Å; L251-Y254 PolarHBondContact O-N 3.31Å; L251-L255 HydrophobicContact CB-CD1 4.15Å; L251-L255 PolarHBondContact O-N 3.04Å; L251-L255 VanDerWaalsContact O-N 3.12Å; L251-V269 HydrophobicContact CD2-CB 4.45Å; L251-V269 HydrophobicContact CD2-CG1 4.1Å; L251-V269 HydrophobicContact CD2-CG2 4.37Å; L251-L272 HydrophobicContact CD2-CB 3.68Å; L251-L272 HydrophobicContact CD2-CD1 3.98Å; L251-L272 HydrophobicContact CG-CB 4.34Å; L251-L272 HydrophobicContact CG-CD1 4.43Å; L251-V273 HydrophobicContact CD2-CG2 4.29Å; L251-L276 HydrophobicContact CD1-CD1 3.98Å; L251-L276 HydrophobicContact CG-CD1 4.32Å
252R96.2Very high95.7Very high116 Ų11665.7 Ų65.744%0.43832%0.322SS..Hα-helixtrans-51.6-43.5-174.3-178.7173.4-178131.812.5114.9L156 N248 Y254 L255 E256L156-R252 HydrophobicContact CD1-CG 4.08Å; N248-R252 WeakPolarHBondContact O-CB 3.28Å; N248-R252 PolarHBondContact O-N 3.5Å; R252-Y254 PolarHBondContact O-N 3.44Å; R252-Y254 VanDerWaalsContact O-N 3.12Å; R252-L255 PolarHBondContact O-N 2.88Å; R252-E256 HydrophobicContact CG-CG 3.91Å; R252-E256 IonicContact CZ-OE1 2.88Å; R252-E256 VanDerWaalsContact CZ-OE1 3.24Å; R252-E256 IonicContact NE-OE1 2.87Å; R252-E256 PolarHBondContact NE-OE1 3.48Å; R252-E256 IonicContact NH2-OE1 3.16Å; R252-E256 PolarHBondContact NH2-OE1 3.23Å; R252-E256 WeakPolarHBondContact O-CB 3.15Å; R252-E256 WeakPolarHBondContact O-CG 3.43Å; R252-E256 PolarHBondContact O-N 2.82Å
253P97.2Very high95.3Very high73 Ų7368.8 Ų68.847%0.47435%0.345SS..Hα-helixtrans-60-23.9178.3-24.935.4000114.5S249 L251 K257S249-P253 VanDerWaalsContact O-CD 3.26Å; S249-P253 WeakPolarHBondContact O-CD 3.28Å; L251-P253 VanDerWaalsContact C-CD 3.45Å; P253-K257 VanDerWaalsContact O-CE 3.32Å; P253-K257 WeakPolarHBondContact O-CE 3.26Å
254Y96.7Very high94.9Very high59 Ų5973.6 Ų73.623%0.23137%0.368CS..Hα-helixtrans-87.9-47.9175.9-56.4-77.7000111.1Q250 L251 R252 E256 K257 M261 D265 Q268 V269 L272Q250-Y254 WeakPolarHBondContact O-CD2 3.43Å; Q250-Y254 WeakPolarHBondContact O-CE2 3.44Å; L251-Y254 WeakPolarHBondContact O-CB 3.4Å; L251-Y254 PolarHBondContact O-N 3.31Å; R252-Y254 PolarHBondContact O-N 3.44Å; R252-Y254 VanDerWaalsContact O-N 3.12Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.41Å; Y254-K257 VanDerWaalsContact O-CB 3.24Å; Y254-K257 WeakPolarHBondContact O-CB 3.18Å; Y254-K257 WeakPolarHBondContact O-CG 3.4Å; Y254-K257 PolarHBondContact O-N 3.45Å; Y254-K257 VanDerWaalsContact O-N 3.08Å; Y254-M261 WeakPolarHBondContact O-CG 3.07Å; Y254-D265 HydrophobicContact CD1-CB 4.09Å; Y254-D265 WeakPolarHBondContact CD1-OD1 3.49Å; Y254-Q268 HydrophobicContact CD1-CB 4.19Å; Y254-Q268 HydrophobicContact CE1-CB 3.7Å; Y254-Q268 HydrophobicContact CE1-CG 3.91Å; Y254-Q268 HydrophobicContact CE2-CB 4.27Å; Y254-V269 HydrophobicContact CD2-CG2 4.47Å; Y254-V269 HydrophobicContact CG-CG2 4.13Å; Y254-L272 HydrophobicContact CD2-CD1 4.09Å; Y254-L272 HydrophobicContact CE2-CD1 3.72Å
255L96.9Very high94.8Very high1 Ų173.7 Ų73.71%0.00537%0.368CS..Hα-helixtrans-66.5-32.5-176.2-61.6179.8000113.1L156 V231 Y236 L240 L244 L251 R252 K257 Q258 V269L156-L255 HydrophobicContact CD2-CB 3.72Å; L156-L255 HydrophobicContact CD2-CD1 3.56Å; L156-L255 HydrophobicContact CD2-CG 4.32Å; V231-L255 HydrophobicContact CG1-CD2 3.42Å; V231-L255 VanDerWaalsContact CG1-CD2 3.42Å; Y236-L255 HydrophobicContact CE1-CD2 4.16Å; L240-L255 HydrophobicContact CD1-CD1 4.25Å; L240-L255 HydrophobicContact CD2-CD1 4.4Å; L240-L255 HydrophobicContact CD2-CD2 4.07Å; L244-L255 HydrophobicContact CD1-CD1 4.11Å; L244-L255 HydrophobicContact CD2-CD1 3.68Å; L244-L255 HydrophobicContact CG-CD1 4.33Å; L251-L255 HydrophobicContact CB-CD1 4.15Å; L251-L255 PolarHBondContact O-N 3.04Å; L251-L255 VanDerWaalsContact O-N 3.12Å; R252-L255 PolarHBondContact O-N 2.88Å; L255-K257 PolarHBondContact O-N 3.04Å; L255-K257 VanDerWaalsContact O-N 3.14Å; L255-Q258 PolarHBondContact O-N 3.31Å; L255-V269 HydrophobicContact CD2-CG1 4.44Å; L255-V269 HydrophobicContact CD2-CG2 4.25Å
256E96.6Very high94.7Very high106 Ų10669.5 Ų69.550%0.49535%0.346SS..THydrogen-bonded Turntrans-64.1-15.4174.6-74.7-178.5159.500113L156 R252 Y254 Q258L156-E256 HydrophobicContact CD1-CG 4.36Å; R252-E256 HydrophobicContact CG-CG 3.91Å; R252-E256 IonicContact CZ-OE1 2.88Å; R252-E256 VanDerWaalsContact CZ-OE1 3.24Å; R252-E256 IonicContact NE-OE1 2.87Å; R252-E256 PolarHBondContact NE-OE1 3.48Å; R252-E256 IonicContact NH2-OE1 3.16Å; R252-E256 PolarHBondContact NH2-OE1 3.23Å; R252-E256 WeakPolarHBondContact O-CB 3.15Å; R252-E256 WeakPolarHBondContact O-CG 3.43Å; R252-E256 PolarHBondContact O-N 2.82Å; Y254-E256 VanDerWaalsContact C-N 3.33Å; Y254-E256 PolarHBondContact O-N 3.41Å; E256-Q258 VanDerWaalsContact C-N 3.3Å
257K96.7Very high94.5Very high82 Ų8266.5 Ų66.536%0.35733%0.333SS..THydrogen-bonded Turntrans-74.6-20.8172.9-55.2177.6-176.8-177.60112.4P253 Y254 L255 K259 Q260 M261 D265P253-K257 VanDerWaalsContact O-CE 3.32Å; P253-K257 WeakPolarHBondContact O-CE 3.26Å; Y254-K257 VanDerWaalsContact O-CB 3.24Å; Y254-K257 WeakPolarHBondContact O-CB 3.18Å; Y254-K257 WeakPolarHBondContact O-CG 3.4Å; Y254-K257 PolarHBondContact O-N 3.45Å; Y254-K257 VanDerWaalsContact O-N 3.08Å; L255-K257 PolarHBondContact O-N 3.04Å; L255-K257 VanDerWaalsContact O-N 3.14Å; K257-K259 PolarHBondContact O-N 3.46Å; K257-Q260 WeakPolarHBondContact O-CA 3.44Å; K257-Q260 VanDerWaalsContact O-CB 3.24Å; K257-Q260 WeakPolarHBondContact O-CB 3.44Å; K257-Q260 PolarHBondContact O-N 2.87Å; K257-M261 HydrophobicContact CB-CG 3.82Å; K257-D265 WeakPolarHBondContact CD-OD2 3.4Å; K257-D265 VanDerWaalsContact NZ-CG 3.27Å; K257-D265 IonicContact NZ-OD1 3.33Å; K257-D265 PolarHBondContact NZ-OD1 3.31Å; K257-D265 IonicContact NZ-OD2 2.75Å; K257-D265 PolarHBondContact NZ-OD2 3.38Å
258Q94.9Very high94.5Very high87 Ų8766.4 Ų66.441%0.40733%0.332SS..G310 helixtrans49.6-127.2176.9-56.5-175.6-1500111.8Y154 R232 L255 E256 Q260 M261Y154-Q258 HydrophobicContact CD1-CB 4.05Å; Y154-Q258 HydrophobicContact CD1-CG 3.55Å; Y154-Q258 HydrophobicContact CE1-CB 3.52Å; Y154-Q258 HydrophobicContact CE1-CG 3.58Å; Y154-Q258 HydrophobicContact CG-CG 4.42Å; R232-Q258 CarbonylContact O-C 3.52Å; L255-Q258 PolarHBondContact O-N 3.31Å; E256-Q258 VanDerWaalsContact C-N 3.3Å; Q258-Q260 PolarHBondContact O-N 3.48Å; Q258-M261 WeakPolarHBondContact O-CB 3.3Å; Q258-M261 WeakPolarHBondContact O-CG 3.32Å; Q258-M261 PolarHBondContact O-N 2.89Å
259K92.3Very high94.6Very high110 Ų11064.2 Ų64.248%0.47832%0.32SS..G310 helixtrans-57.8-20177.4-61.8-170.5176.5-164.50114.3R232 Q233 K257 M261R232-K259 PolarHBondContact NH2-O 3.38Å; R232-K259 PolarHBondContact O-N 3.28Å; Q233-K259 VanDerWaalsContact OE1-CE 3.26Å; K257-K259 PolarHBondContact O-N 3.46Å; K259-M261 VanDerWaalsContact C-N 3.32Å
260Q95.1Very high94.5Very high158 Ų15861.1 Ų61.174%0.73830%0.296SS*.G310 helixtrans-84.90177.6-52.5-59-43.400113.7K257 Q258 T262K257-Q260 WeakPolarHBondContact O-CA 3.44Å; K257-Q260 VanDerWaalsContact O-CB 3.24Å; K257-Q260 WeakPolarHBondContact O-CB 3.44Å; K257-Q260 PolarHBondContact O-N 2.87Å; Q258-Q260 PolarHBondContact O-N 3.48Å; Q260-T262 PolarHBondContact O-N 3.05Å
261M94.2Very high94.4Very high4 Ų461.8 Ų61.82%0.0230%0.295CS..  trans-56.1128.9171-73.6175.479.800110.5V231 R232 Y254 K257 Q258 K259 D265 T266 V269V231-M261 HydrophobicContact CG1-CE 4.2Å; V231-M261 HydrophobicContact CG1-SD 4.18Å; R232-M261 HydrophobicContact CG-CB 4.1Å; R232-M261 HydrophobicContact CG-SD 4.24Å; R232-M261 PolarHBondContact NE-O 3.23Å; Y254-M261 WeakPolarHBondContact O-CG 3.07Å; K257-M261 HydrophobicContact CB-CG 3.82Å; Q258-M261 WeakPolarHBondContact O-CB 3.3Å; Q258-M261 WeakPolarHBondContact O-CG 3.32Å; Q258-M261 PolarHBondContact O-N 2.89Å; K259-M261 VanDerWaalsContact C-N 3.32Å; M261-D265 HydrophobicContact CB-CB 4.09Å; M261-D265 HydrophobicContact CE-CB 4.22Å; M261-D265 HydrophobicContact CG-CB 4.3Å; M261-T266 HydrophobicContact CB-CG2 4.45Å; M261-T266 HydrophobicContact CE-CG2 4.09Å; M261-V269 HydrophobicContact CE-CB 4.46Å; M261-V269 HydrophobicContact CE-CG2 3.69Å
262T92.6Very high94.4Very high75 Ų7562.5 Ų62.546%0.4630%0.299SS..  trans-79.4166.1171.164.60000110.9Q260 E264 D265 T266Q260-T262 PolarHBondContact O-N 3.05Å; T262-E264 PolarHBondContact O-N 2.92Å; T262-D265 WeakPolarHBondContact CB-OD2 3.5Å; T262-D265 PolarHBondContact N-OD2 3.09Å; T262-D265 WeakPolarHBondContact O-CB 3.38Å; T262-D265 PolarHBondContact O-N 2.9Å; T262-D265 PolarHBondContact OG1-N 3.33Å; T262-D265 VanDerWaalsContact OG1-N 3.14Å; T262-D265 PolarHBondContact OG1-OD2 3.46Å; T262-T266 PolarHBondContact O-N 3.38Å
263V89.2Confident94.4Very high105 Ų10557 Ų5764%0.63628%0.278SS*.Hα-helixtrans-55.5-40.6171.6177.40000110.8D265 T266 L267V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 2.99Å; V263-T266 PolarHBondContact O-N 2.8Å; V263-T266 PolarHBondContact O-OG1 2.97Å; V263-L267 HydrophobicContact CG1-CD1 4.32Å; V263-L267 WeakPolarHBondContact O-CG 3.35Å; V263-L267 PolarHBondContact O-N 3.33Å
264E91.5Very high94.3Very high101 Ų10158 Ų5847%0.47228%0.276SS..Hα-helixtrans-62.1-41.5176.2-174.557.9-148.600111.7T262 T266 L267 Q268T262-E264 PolarHBondContact O-N 2.92Å; E264-T266 VanDerWaalsContact C-N 3.32Å; E264-T266 PolarHBondContact O-N 2.84Å; E264-L267 PolarHBondContact O-N 3.48Å; E264-Q268 WeakPolarHBondContact O-CG 3.42Å; E264-Q268 PolarHBondContact O-N 3.3Å; E264-Q268 PolarHBondContact OE1-NE2 3.1Å
265D94.4Very high94.3Very high12 Ų1261.5 Ų61.56%0.06430%0.295CS..Hα-helixtrans-59.6-42.9175.4-62.9-49.6000111.6Y254 K257 M261 T262 V263 L267 Q268 V269Y254-D265 HydrophobicContact CD1-CB 4.09Å; Y254-D265 WeakPolarHBondContact CD1-OD1 3.49Å; K257-D265 WeakPolarHBondContact CD-OD2 3.4Å; K257-D265 VanDerWaalsContact NZ-CG 3.27Å; K257-D265 IonicContact NZ-OD1 3.33Å; K257-D265 PolarHBondContact NZ-OD1 3.31Å; K257-D265 IonicContact NZ-OD2 2.75Å; K257-D265 PolarHBondContact NZ-OD2 3.38Å; M261-D265 HydrophobicContact CB-CB 4.09Å; M261-D265 HydrophobicContact CE-CB 4.22Å; M261-D265 HydrophobicContact CG-CB 4.3Å; T262-D265 WeakPolarHBondContact CB-OD2 3.5Å; T262-D265 PolarHBondContact N-OD2 3.09Å; T262-D265 WeakPolarHBondContact O-CB 3.38Å; T262-D265 PolarHBondContact O-N 2.9Å; T262-D265 PolarHBondContact OG1-N 3.33Å; T262-D265 VanDerWaalsContact OG1-N 3.14Å; T262-D265 PolarHBondContact OG1-OD2 3.46Å; V263-D265 VanDerWaalsContact C-N 3.34Å; V263-D265 PolarHBondContact O-N 2.99Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 2.75Å; D265-Q268 PolarHBondContact O-N 3.22Å; D265-V269 WeakPolarHBondContact O-CG2 3.29Å; D265-V269 PolarHBondContact O-N 3.2Å
266T92.3Very high94.3Very high4 Ų462.9 Ų62.93%0.02530%0.302CS..Hα-helixtrans-64.2-37.8177.463.10000112.4V227 R232 M261 T262 V263 E264 V269 Q270V227-T266 WeakPolarHBondContact O-CB 3.45Å; R232-T266 HydrophobicContact CG-CG2 4.08Å; M261-T266 HydrophobicContact CB-CG2 4.45Å; M261-T266 HydrophobicContact CE-CG2 4.09Å; T262-T266 PolarHBondContact O-N 3.38Å; V263-T266 PolarHBondContact O-N 2.8Å; V263-T266 PolarHBondContact O-OG1 2.97Å; E264-T266 VanDerWaalsContact C-N 3.32Å; E264-T266 PolarHBondContact O-N 2.84Å; T266-V269 PolarHBondContact O-N 3.49Å; T266-Q270 WeakPolarHBondContact O-CB 3.18Å; T266-Q270 PolarHBondContact O-N 3.34Å
267L91.2Very high94.3Very high44 Ų4458.4 Ų58.423%0.2328%0.284CS..Hα-helixtrans-68.6-36175.7-66.5174.1000112.1A220 V263 E264 D265 R271A220-L267 HydrophobicContact CB-CD2 3.76Å; V263-L267 HydrophobicContact CG1-CD1 4.32Å; V263-L267 WeakPolarHBondContact O-CG 3.35Å; V263-L267 PolarHBondContact O-N 3.33Å; E264-L267 PolarHBondContact O-N 3.48Å; D265-L267 VanDerWaalsContact C-N 3.34Å; D265-L267 PolarHBondContact O-N 2.75Å; L267-R271 WeakPolarHBondContact O-CB 3.25Å; L267-R271 PolarHBondContact O-N 3.09Å
268Q93.8Very high94.3Very high45 Ų4554.5 Ų54.521%0.2127%0.267CS..Hα-helixtrans-65.3-43.8172.8-65.8-59.4-19.600111.4Y254 E264 D265 R271 L272Y254-Q268 HydrophobicContact CD1-CB 4.19Å; Y254-Q268 HydrophobicContact CE1-CB 3.7Å; Y254-Q268 HydrophobicContact CE1-CG 3.91Å; Y254-Q268 HydrophobicContact CE2-CB 4.27Å; E264-Q268 WeakPolarHBondContact O-CG 3.42Å; E264-Q268 PolarHBondContact O-N 3.3Å; E264-Q268 PolarHBondContact OE1-NE2 3.1Å; D265-Q268 PolarHBondContact O-N 3.22Å; Q268-R271 PolarHBondContact O-N 3.47Å; Q268-R271 VanDerWaalsContact OE1-NE 3.08Å; Q268-L272 WeakPolarHBondContact O-CB 3.48Å; Q268-L272 WeakPolarHBondContact O-CG 3.24Å; Q268-L272 PolarHBondContact O-N 3.19Å
269V95.5Very high94.4Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-60.2-47.5174.8170.30000110.8L228 L240 L251 Y254 L255 M261 D265 T266 R271 L272 V273L228-V269 HydrophobicContact CD1-CB 4.4Å; L228-V269 HydrophobicContact CD1-CG1 4.03Å; L240-V269 HydrophobicContact CD1-CG1 4.14Å; L251-V269 HydrophobicContact CD2-CB 4.45Å; L251-V269 HydrophobicContact CD2-CG1 4.1Å; L251-V269 HydrophobicContact CD2-CG2 4.37Å; Y254-V269 HydrophobicContact CD2-CG2 4.47Å; Y254-V269 HydrophobicContact CG-CG2 4.13Å; L255-V269 HydrophobicContact CD2-CG1 4.44Å; L255-V269 HydrophobicContact CD2-CG2 4.25Å; M261-V269 HydrophobicContact CE-CB 4.46Å; M261-V269 HydrophobicContact CE-CG2 3.69Å; D265-V269 WeakPolarHBondContact O-CG2 3.29Å; D265-V269 PolarHBondContact O-N 3.2Å; T266-V269 PolarHBondContact O-N 3.49Å; V269-R271 VanDerWaalsContact C-N 3.33Å; V269-R271 PolarHBondContact O-N 3.05Å; V269-L272 PolarHBondContact O-N 3.48Å; V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 WeakPolarHBondContact O-CB 3.28Å; V269-V273 VanDerWaalsContact O-CG2 3.27Å; V269-V273 WeakPolarHBondContact O-CG2 3.38Å; V269-V273 PolarHBondContact O-N 2.87Å
270Q94.2Very high94.5Very high18 Ų1851.5 Ų51.58%0.08426%0.26CS..Hα-helixtrans-55.5-47.8177.2-172.6-175.126.700111.8Y216 A218 L228 T266 V273 Q274Y216-Q270 PolarHBondContact O-NE2 2.82Å; A218-Q270 PolarHBondContact O-NE2 3.3Å; L228-Q270 HydrophobicContact CD1-CB 3.97Å; T266-Q270 WeakPolarHBondContact O-CB 3.18Å; T266-Q270 PolarHBondContact O-N 3.34Å; Q270-V273 PolarHBondContact O-N 3.41Å; Q270-Q274 WeakPolarHBondContact O-CG 3.24Å; Q270-Q274 PolarHBondContact O-N 3.04Å; Q270-Q274 VanDerWaalsContact O-N 3.17Å
271R93.8Very high94.7Very high97 Ų9748.7 Ų48.737%0.36624%0.243SC..Hα-helixtrans-60-50.3177.3-174.8-165.2-13.9-81.3-9.6111.7L267 Q268 V269 V273 Q274 E275L267-R271 WeakPolarHBondContact O-CB 3.25Å; L267-R271 PolarHBondContact O-N 3.09Å; Q268-R271 PolarHBondContact O-N 3.47Å; Q268-R271 VanDerWaalsContact OE1-NE 3.08Å; V269-R271 VanDerWaalsContact C-N 3.33Å; V269-R271 PolarHBondContact O-N 3.05Å; R271-V273 VanDerWaalsContact C-N 3.31Å; R271-V273 PolarHBondContact O-N 3.24Å; R271-Q274 WeakPolarHBondContact O-CB 3.42Å; R271-Q274 PolarHBondContact O-N 2.91Å; R271-Q274 VanDerWaalsContact O-N 3.14Å; R271-E275 VanDerWaalsContact CD-OE1 3.31Å; R271-E275 WeakPolarHBondContact CD-OE1 3.35Å; R271-E275 HydrophobicContact CG-CG 4.38Å; R271-E275 WeakPolarHBondContact CG-OE1 3.47Å; R271-E275 WeakPolarHBondContact O-CG 3.15Å; R271-E275 PolarHBondContact O-N 3.32Å
272L96.7Very high94.8Very high15 Ų1548.5 Ų48.58%0.07924%0.242CC..Hα-helixtrans-61.7-39.1-179.6-73.8171.8000111.8Q250 L251 Y254 Q268 V269 Q274 E275 L276Q250-L272 HydrophobicContact CB-CD1 4.28Å; Q250-L272 HydrophobicContact CB-CD2 4.23Å; Q250-L272 WeakPolarHBondContact O-CD1 3.23Å; L251-L272 HydrophobicContact CD2-CB 3.68Å; L251-L272 HydrophobicContact CD2-CD1 3.98Å; L251-L272 HydrophobicContact CG-CB 4.34Å; L251-L272 HydrophobicContact CG-CD1 4.43Å; Y254-L272 HydrophobicContact CD2-CD1 4.09Å; Y254-L272 HydrophobicContact CE2-CD1 3.72Å; Q268-L272 WeakPolarHBondContact O-CB 3.48Å; Q268-L272 WeakPolarHBondContact O-CG 3.24Å; Q268-L272 PolarHBondContact O-N 3.19Å; V269-L272 PolarHBondContact O-N 3.48Å; L272-Q274 VanDerWaalsContact C-N 3.29Å; L272-Q274 PolarHBondContact O-N 3.3Å; L272-E275 PolarHBondContact O-N 3.37Å; L272-L276 VanDerWaalsContact O-CB 3.24Å; L272-L276 WeakPolarHBondContact O-CB 3.45Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 2.81Å
273V96.9Very high95Very high0 Ų047.4 Ų47.40%023%0.232CC..Hα-helixtrans-62.5-37.3176.1170.50000111.7Y216 P239 L240 A243 L251 V269 Q270 R271 G278 V279Y216-V273 HydrophobicContact CD1-CB 3.93Å; Y216-V273 HydrophobicContact CD1-CG1 3.58Å; Y216-V273 HydrophobicContact CD1-CG2 4.23Å; Y216-V273 HydrophobicContact CE1-CB 4.17Å; Y216-V273 HydrophobicContact CE1-CG1 3.88Å; Y216-V273 HydrophobicContact CE1-CG2 3.95Å; Y216-V273 HydrophobicContact CG-CG1 4.24Å; P239-V273 HydrophobicContact CB-CG1 3.69Å; P239-V273 WeakPolarHBondContact O-CG1 3.41Å; L240-V273 HydrophobicContact CB-CG2 4.26Å; L240-V273 HydrophobicContact CD1-CG2 3.63Å; A243-V273 HydrophobicContact CB-CB 4.24Å; A243-V273 HydrophobicContact CB-CG1 4.33Å; A243-V273 HydrophobicContact CB-CG2 3.9Å; L251-V273 HydrophobicContact CD2-CG2 4.29Å; V269-V273 HydrophobicContact CG1-CG2 4.22Å; V269-V273 WeakPolarHBondContact O-CB 3.28Å; V269-V273 VanDerWaalsContact O-CG2 3.27Å; V269-V273 WeakPolarHBondContact O-CG2 3.38Å; V269-V273 PolarHBondContact O-N 2.87Å; Q270-V273 PolarHBondContact O-N 3.41Å; R271-V273 VanDerWaalsContact C-N 3.31Å; R271-V273 PolarHBondContact O-N 3.24Å; V273-G278 WeakPolarHBondContact O-CA 3.24Å; V273-G278 PolarHBondContact O-N 2.9Å; V273-V279 HydrophobicContact CG1-CG2 4.28Å
274Q94.8Very high95.3Very high96 Ų9647.5 Ų47.545%0.44923%0.225SC..Hα-helixtrans-69.5-47.6173.3-67.1175.610.300111.7Y216 Q270 R271 L272 L276 G277 V279Y216-Q274 PolarHBondContact O-NE2 2.82Å; Q270-Q274 WeakPolarHBondContact O-CG 3.24Å; Q270-Q274 PolarHBondContact O-N 3.04Å; Q270-Q274 VanDerWaalsContact O-N 3.17Å; R271-Q274 WeakPolarHBondContact O-CB 3.42Å; R271-Q274 PolarHBondContact O-N 2.91Å; R271-Q274 VanDerWaalsContact O-N 3.14Å; L272-Q274 VanDerWaalsContact C-N 3.29Å; L272-Q274 PolarHBondContact O-N 3.3Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.5Å; Q274-G277 PolarHBondContact O-N 2.68Å; Q274-V279 HydrophobicContact CG-CG2 3.96Å
275E96.3Very high95.6Very high132 Ų13243.7 Ų43.762%0.61721%0.208SC*.Hα-helixtrans-63.8-36.2-178.5-73.1176.6-177.100113R271 L272 G277R271-E275 VanDerWaalsContact CD-OE1 3.31Å; R271-E275 WeakPolarHBondContact CD-OE1 3.35Å; R271-E275 HydrophobicContact CG-CG 4.38Å; R271-E275 WeakPolarHBondContact CG-OE1 3.47Å; R271-E275 WeakPolarHBondContact O-CG 3.15Å; R271-E275 PolarHBondContact O-N 3.32Å; L272-E275 PolarHBondContact O-N 3.37Å; E275-G277 PolarHBondContact O-N 3.13Å
276L97.3Very high95.7Very high30 Ų3043.1 Ų43.116%0.15721%0.205CC..THydrogen-bonded Turntrans-80.55.1176.3-64.7170.1000112.8A243 Q246 D247 L251 L272 Q274 G278A243-L276 HydrophobicContact CB-CB 3.94Å; A243-L276 HydrophobicContact CB-CD1 4.1Å; Q246-L276 HydrophobicContact CB-CB 4.34Å; Q246-L276 HydrophobicContact CB-CD2 4.38Å; Q246-L276 WeakPolarHBondContact CG-O 3.36Å; D247-L276 HydrophobicContact CB-CD1 4.25Å; D247-L276 HydrophobicContact CB-CD2 3.8Å; L251-L276 HydrophobicContact CD1-CD1 3.98Å; L251-L276 HydrophobicContact CG-CD1 4.32Å; L272-L276 VanDerWaalsContact O-CB 3.24Å; L272-L276 WeakPolarHBondContact O-CB 3.45Å; L272-L276 WeakPolarHBondContact O-CG 3.45Å; L272-L276 PolarHBondContact O-N 2.81Å; Q274-L276 VanDerWaalsContact C-N 3.33Å; Q274-L276 PolarHBondContact O-N 3.5Å; L276-G278 VanDerWaalsContact C-N 3.29Å; L276-G278 PolarHBondContact O-N 3.43Å
277G96.2Very high95.9Very high12 Ų1246 Ų4612%0.12422%0.223CC..THydrogen-bonded Turntrans75.211.1175.700000114.9Q274 E275 V279 D280 Y281Q274-G277 PolarHBondContact O-N 2.68Å; E275-G277 PolarHBondContact O-N 3.13Å; G277-V279 VanDerWaalsContact C-N 3.31Å; G277-V279 PolarHBondContact O-N 3.46Å; G277-D280 PolarHBondContact O-N 3.42Å; G277-D280 VanDerWaalsContact O-N 3.13Å; G277-Y281 WeakPolarHBondContact O-CD2 3.34Å; G277-Y281 PolarHBondContact O-N 3.12Å
278G97.4Very high96.2Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-59.1-40.7-177.800000113.1P239 V273 L276 A282P239-G278 VanDerWaalsContact O-CA 3.29Å; P239-G278 WeakPolarHBondContact O-CA 3.31Å; V273-G278 WeakPolarHBondContact O-CA 3.24Å; V273-G278 PolarHBondContact O-N 2.9Å; L276-G278 VanDerWaalsContact C-N 3.29Å; L276-G278 PolarHBondContact O-N 3.43Å; G278-A282 WeakPolarHBondContact O-CB 3.25Å; G278-A282 PolarHBondContact O-N 2.94Å
279V95.9Very high96.4Very high14 Ų1449.2 Ų49.29%0.08523%0.234CC..Hα-helixtrans-62.3-44.4174.8173.90000111.5L213 Q217 P239 V273 Q274 G277 A282 Q283L213-V279 HydrophobicContact CD2-CB 4.47Å; L213-V279 HydrophobicContact CD2-CG1 3.92Å; Q217-V279 HydrophobicContact CG-CG1 4.06Å; P239-V279 HydrophobicContact CB-CG2 4.47Å; V273-V279 HydrophobicContact CG1-CG2 4.28Å; Q274-V279 HydrophobicContact CG-CG2 3.96Å; G277-V279 VanDerWaalsContact C-N 3.31Å; G277-V279 PolarHBondContact O-N 3.46Å; V279-A282 PolarHBondContact O-N 2.97Å; V279-Q283 VanDerWaalsContact O-CB 3.29Å; V279-Q283 WeakPolarHBondContact O-CB 3.33Å; V279-Q283 PolarHBondContact O-N 3.21Å
280D96.1Very high96.4Very high119 Ų11949.8 Ų49.864%0.63624%0.238SC*.Hα-helixtrans-67.3-43.5-177.8-70.6-25.7000111.6G277 Q283 Q284G277-D280 PolarHBondContact O-N 3.42Å; G277-D280 VanDerWaalsContact O-N 3.13Å; D280-Q283 PolarHBondContact O-N 3.4Å; D280-Q284 PolarHBondContact O-N 3.41Å
281Y97.7Very high96.6Very high100 Ų10053.6 Ų53.639%0.39226%0.256SS..Hα-helixtrans-64.4-42.9176.3-73.3-61.3000112.3Y242 G277 Q284 L285Y242-Y281 HydrophobicContact CD1-CG 4.31Å; Y242-Y281 VanDerWaalsContact CD2-CB 3.48Å; Y242-Y281 HydrophobicContact CG-CG 4.34Å; G277-Y281 WeakPolarHBondContact O-CD2 3.34Å; G277-Y281 PolarHBondContact O-N 3.12Å; Y281-Q284 PolarHBondContact O-N 3.3Å; Y281-L285 PolarHBondContact O-N 3.38Å
282A97.2Very high96.8Very high0 Ų052.2 Ų52.20%025%0.254CS..Hα-helixtrans-64-41.5175.400000111.8I209 L213 L238 P239 Y242 G278 V279 Q284 L285 A286I209-A282 HydrophobicContact CG2-CB 4.3Å; I209-A282 WeakPolarHBondContact CG2-O 3.45Å; L213-A282 HydrophobicContact CD2-CB 3.82Å; L213-A282 HydrophobicContact CG-CB 4.22Å; L238-A282 HydrophobicContact CB-CB 4.26Å; L238-A282 HydrophobicContact CD2-CB 3.88Å; L238-A282 HydrophobicContact CG-CB 3.93Å; P239-A282 HydrophobicContact CB-CB 4.38Å; P239-A282 HydrophobicContact CG-CB 3.77Å; Y242-A282 HydrophobicContact CD2-CB 4.27Å; Y242-A282 HydrophobicContact CE2-CB 4.48Å; G278-A282 WeakPolarHBondContact O-CB 3.25Å; G278-A282 PolarHBondContact O-N 2.94Å; V279-A282 PolarHBondContact O-N 2.97Å; A282-Q284 VanDerWaalsContact C-N 3.32Å; A282-Q284 PolarHBondContact O-N 2.93Å; A282-L285 PolarHBondContact O-N 3.47Å; A282-A286 PolarHBondContact O-N 2.95Å
283Q96Very high96.9Very high51 Ų5151.5 Ų51.524%0.23825%0.25CC..Hα-helixtrans-63.6-37.9176.1-176.163.783.700112.2M210 L213 V279 D280 T287M210-Q283 PolarHBondContact SD-NE2 2.88Å; L213-Q283 HydrophobicContact CD1-CB 4.17Å; V279-Q283 VanDerWaalsContact O-CB 3.29Å; V279-Q283 WeakPolarHBondContact O-CB 3.33Å; V279-Q283 PolarHBondContact O-N 3.21Å; D280-Q283 PolarHBondContact O-N 3.4Å; Q283-T287 WeakPolarHBondContact O-CB 3.32Å; Q283-T287 PolarHBondContact O-N 3.02Å; Q283-T287 PolarHBondContact O-OG1 3.37Å
284Q96.9Very high96.9Very high108 Ų10851.8 Ų51.851%0.50525%0.251SS..Hα-helixtrans-61.6-50173.8-176.5-175.8-24.300110.6D280 Y281 A282 A286 T287 E288D280-Q284 PolarHBondContact O-N 3.41Å; Y281-Q284 PolarHBondContact O-N 3.3Å; A282-Q284 VanDerWaalsContact C-N 3.32Å; A282-Q284 PolarHBondContact O-N 2.93Å; Q284-A286 PolarHBondContact O-N 3.39Å; Q284-T287 WeakPolarHBondContact O-CA 3.36Å; Q284-T287 WeakPolarHBondContact O-CB 3.22Å; Q284-T287 PolarHBondContact O-N 3.17Å; Q284-T287 VanDerWaalsContact O-N 3.07Å; Q284-E288 PolarHBondContact NE2-OE1 3.44Å; Q284-E288 WeakPolarHBondContact O-CG 3.42Å; Q284-E288 PolarHBondContact O-N 3.12Å
285L97.4Very high97.1Very high20 Ų2052.5 Ų52.511%0.10525%0.253CS..Hα-helixtrans-63.4-41.5-179.2-169.263.8000112.1V160 L164 I209 L238 Y281 A282 T287 E288 Y289V160-L285 HydrophobicContact CG1-CD2 4.45Å; L164-L285 HydrophobicContact CD1-CD2 4.29Å; L164-L285 HydrophobicContact CD2-CD2 4.06Å; I209-L285 HydrophobicContact CD1-CD2 4.09Å; I209-L285 HydrophobicContact CD1-CG 4.14Å; L238-L285 HydrophobicContact CD2-CB 4.27Å; L238-L285 HydrophobicContact CD2-CD2 3.68Å; Y281-L285 PolarHBondContact O-N 3.38Å; A282-L285 PolarHBondContact O-N 3.47Å; L285-T287 VanDerWaalsContact C-N 3.25Å; L285-T287 PolarHBondContact O-N 2.95Å; L285-E288 PolarHBondContact O-N 2.83Å; L285-E288 VanDerWaalsContact O-N 3.17Å; L285-Y289 HydrophobicContact CD1-CD2 4.17Å; L285-Y289 HydrophobicContact CD1-CE2 3.89Å; L285-Y289 HydrophobicContact CD2-CE2 4.41Å; L285-Y289 HydrophobicContact CG-CD2 4.06Å; L285-Y289 HydrophobicContact CG-CE2 3.98Å; L285-Y289 WeakPolarHBondContact O-CD2 3.35Å; L285-Y289 PolarHBondContact O-N 3.26Å; L285-Y289 VanDerWaalsContact O-N 3.1Å
286A96.3Very high97.2Very high0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-57.1-40.6172.800000112.1I209 M210 L213 A282 Q284 T290I209-A286 HydrophobicContact CB-CB 4.07Å; I209-A286 HydrophobicContact CG2-CB 3.73Å; M210-A286 HydrophobicContact CG-CB 4.12Å; M210-A286 HydrophobicContact SD-CB 3.88Å; L213-A286 HydrophobicContact CD1-CB 4.44Å; A282-A286 PolarHBondContact O-N 2.95Å; Q284-A286 PolarHBondContact O-N 3.39Å; A286-T290 WeakPolarHBondContact O-CB 3.35Å; A286-T290 PolarHBondContact O-N 2.62Å; A286-T290 PolarHBondContact O-OG1 2.97Å
287T95.9Very high97.3Very high65 Ų6545.5 Ų45.540%0.39922%0.22SC..Hα-helixtrans-65.7-41.4177.2-56.10000111.3Q283 Q284 L285 T290 E291Q283-T287 WeakPolarHBondContact O-CB 3.32Å; Q283-T287 PolarHBondContact O-N 3.02Å; Q283-T287 PolarHBondContact O-OG1 3.37Å; Q284-T287 WeakPolarHBondContact O-CA 3.36Å; Q284-T287 WeakPolarHBondContact O-CB 3.22Å; Q284-T287 PolarHBondContact O-N 3.17Å; Q284-T287 VanDerWaalsContact O-N 3.07Å; L285-T287 VanDerWaalsContact C-N 3.25Å; L285-T287 PolarHBondContact O-N 2.95Å; T287-T290 WeakPolarHBondContact O-CB 3.48Å; T287-T290 PolarHBondContact O-N 2.75Å; T287-E291 HydrophobicContact CG2-CG 4.48Å; T287-E291 PolarHBondContact O-N 3.36Å
288E97.4Very high97.3Very high101 Ų10149.9 Ų49.947%0.47223%0.233SC..Hα-helixtrans-61.2-47.3177.9-70.2174.6-167.500112Q284 L285 T290 E291 Q292Q284-E288 PolarHBondContact NE2-OE1 3.44Å; Q284-E288 WeakPolarHBondContact O-CG 3.42Å; Q284-E288 PolarHBondContact O-N 3.12Å; L285-E288 PolarHBondContact O-N 2.83Å; L285-E288 VanDerWaalsContact O-N 3.17Å; E288-T290 VanDerWaalsContact C-N 3.35Å; E288-T290 PolarHBondContact O-N 2.88Å; E288-E291 PolarHBondContact O-N 3.19Å; E288-Q292 WeakPolarHBondContact O-CB 3.49Å; E288-Q292 PolarHBondContact O-N 3.41Å
289Y98Very high97.4Very high55 Ų5555.3 Ų55.322%0.21626%0.256CS..Hα-helixtrans-65.2-37.3174.9-82.9-80.4000112.6L164 N202 I205 I209 L285 Q292 A293L164-Y289 HydrophobicContact CD2-CE2 4.17Å; N202-Y289 HydrophobicContact CB-CD1 4.27Å; N202-Y289 WeakPolarHBondContact OD1-CD1 3.27Å; I205-Y289 HydrophobicContact CB-CD1 3.86Å; I205-Y289 HydrophobicContact CB-CD2 4.49Å; I205-Y289 HydrophobicContact CB-CE1 4.06Å; I205-Y289 HydrophobicContact CB-CG 4.09Å; I205-Y289 HydrophobicContact CG1-CD1 4.34Å; I205-Y289 HydrophobicContact CG1-CE1 4.11Å; I205-Y289 HydrophobicContact CG2-CD1 3.71Å; I205-Y289 HydrophobicContact CG2-CD2 3.5Å; I205-Y289 HydrophobicContact CG2-CE1 3.76Å; I205-Y289 HydrophobicContact CG2-CE2 3.56Å; I205-Y289 HydrophobicContact CG2-CG 3.58Å; I209-Y289 HydrophobicContact CD1-CD2 4.4Å; L285-Y289 HydrophobicContact CD1-CD2 4.17Å; L285-Y289 HydrophobicContact CD1-CE2 3.89Å; L285-Y289 HydrophobicContact CD2-CE2 4.41Å; L285-Y289 HydrophobicContact CG-CD2 4.06Å; L285-Y289 HydrophobicContact CG-CE2 3.98Å; L285-Y289 WeakPolarHBondContact O-CD2 3.35Å; L285-Y289 PolarHBondContact O-N 3.26Å; L285-Y289 VanDerWaalsContact O-N 3.1Å; Y289-Q292 PolarHBondContact O-N 2.85Å; Y289-A293 WeakPolarHBondContact O-CB 3.31Å; Y289-A293 PolarHBondContact O-N 3.32Å
290T97.1Very high97.5Very high13 Ų1354.9 Ų54.98%0.0825%0.254CS..Hα-helixtrans-60.2-51.1174.5-62.30000111.1A286 T287 E288 Q292 A293 L294 L319A286-T290 WeakPolarHBondContact O-CB 3.35Å; A286-T290 PolarHBondContact O-N 2.62Å; A286-T290 PolarHBondContact O-OG1 2.97Å; T287-T290 WeakPolarHBondContact O-CB 3.48Å; T287-T290 PolarHBondContact O-N 2.75Å; E288-T290 VanDerWaalsContact C-N 3.35Å; E288-T290 PolarHBondContact O-N 2.88Å; T290-Q292 VanDerWaalsContact C-N 3.31Å; T290-Q292 PolarHBondContact O-N 3.33Å; T290-A293 PolarHBondContact O-N 2.69Å; T290-L294 HydrophobicContact CG2-CD1 3.93Å; T290-L294 HydrophobicContact CG2-CG 4.42Å; T290-L294 VanDerWaalsContact O-CG 3.31Å; T290-L294 WeakPolarHBondContact O-CG 3.43Å; T290-L294 PolarHBondContact O-N 3.19Å; T290-L319 HydrophobicContact CG2-CB 3.74Å; T290-L319 HydrophobicContact CG2-CD1 3.82Å; T290-L319 HydrophobicContact CG2-CG 4.42Å; T290-L319 WeakPolarHBondContact OG1-CD1 3.44Å
291E97.2Very high97.6Very high97 Ų9752.7 Ų52.745%0.45325%0.246SC..Hα-helixtrans-65.2-35.7179.4-75.4-55.8145.500112.1T287 E288 L294 K295 R298T287-E291 HydrophobicContact CG2-CG 4.48Å; T287-E291 PolarHBondContact O-N 3.36Å; E288-E291 PolarHBondContact O-N 3.19Å; E291-L294 PolarHBondContact O-N 3.29Å; E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 PolarHBondContact O-N 3.36Å; E291-R298 IonicContact OE2-NH1 2.74Å
292Q97.9Very high97.6Very high69 Ų6953.1 Ų53.132%0.32226%0.255SS..Hα-helixtrans-64.7-43.7174.7-173.655.549.600111.5N202 E288 Y289 T290 K295 D296N202-Q292 WeakPolarHBondContact ND2-CG 3.31Å; E288-Q292 WeakPolarHBondContact O-CB 3.49Å; E288-Q292 PolarHBondContact O-N 3.41Å; Y289-Q292 PolarHBondContact O-N 2.85Å; T290-Q292 VanDerWaalsContact C-N 3.31Å; T290-Q292 PolarHBondContact O-N 3.33Å; Q292-K295 PolarHBondContact O-N 2.81Å; Q292-D296 PolarHBondContact NE2-OD2 3.1Å; Q292-D296 PolarHBondContact O-N 3.15Å; Q292-D296 VanDerWaalsContact O-N 3.09Å
293A98.2Very high97.6Very high0 Ų054.7 Ų54.70%026%0.263CS..Hα-helixtrans-60.5-49.517400000111.8N202 I203 Y289 T290 K295 D296 I297 T315N202-A293 HydrophobicContact CB-CB 3.92Å; I203-A293 HydrophobicContact CG1-CB 3.78Å; Y289-A293 WeakPolarHBondContact O-CB 3.31Å; Y289-A293 PolarHBondContact O-N 3.32Å; T290-A293 PolarHBondContact O-N 2.69Å; A293-K295 PolarHBondContact O-N 2.97Å; A293-D296 PolarHBondContact O-N 2.87Å; A293-I297 VanDerWaalsContact O-CG1 3.29Å; A293-I297 WeakPolarHBondContact O-CG1 3.35Å; A293-I297 PolarHBondContact O-N 2.97Å; A293-T315 HydrophobicContact CB-CG2 4.46Å
294L98.2Very high97.5Very high6 Ų662.3 Ų62.33%0.03129%0.291CS..Hα-helixtrans-62.5-42179.5-67.3173.6000111.8T290 E291 D296 I297 R298 E312 T315T290-L294 HydrophobicContact CG2-CD1 3.93Å; T290-L294 HydrophobicContact CG2-CG 4.42Å; T290-L294 VanDerWaalsContact O-CG 3.31Å; T290-L294 WeakPolarHBondContact O-CG 3.43Å; T290-L294 PolarHBondContact O-N 3.19Å; E291-L294 PolarHBondContact O-N 3.29Å; L294-D296 VanDerWaalsContact C-N 3.29Å; L294-D296 PolarHBondContact O-N 3.32Å; L294-I297 PolarHBondContact O-N 2.86Å; L294-R298 VanDerWaalsContact O-CG 3.24Å; L294-R298 WeakPolarHBondContact O-CG 3.43Å; L294-R298 PolarHBondContact O-N 3.34Å; L294-E312 HydrophobicContact CD2-CG 4.1Å; L294-T315 HydrophobicContact CD2-CG2 3.8Å; L294-T315 HydrophobicContact CG-CG2 4.31Å
295K98.2Very high97.4Very high110 Ų11060.5 Ų60.548%0.47828%0.282SS..Hα-helixtrans-58.9-39.7175-179.3-178.9-178-178.90112E291 Q292 A293 K299E291-K295 WeakPolarHBondContact O-CB 3.42Å; E291-K295 PolarHBondContact O-N 3.36Å; Q292-K295 PolarHBondContact O-N 2.81Å; A293-K295 PolarHBondContact O-N 2.97Å; K295-K299 WeakPolarHBondContact O-CG 3.38Å
296D98.5Very high97.4Very high16 Ų1664.1 Ų64.19%0.08630%0.301CS..Hα-helixtrans-79.2-32.4179.2-73.3-27.9000113.1I199 Q292 A293 L294 K299I199-D296 HydrophobicContact CD1-CB 4.13Å; I199-D296 HydrophobicContact CG1-CB 3.67Å; Q292-D296 PolarHBondContact NE2-OD2 3.1Å; Q292-D296 PolarHBondContact O-N 3.15Å; Q292-D296 VanDerWaalsContact O-N 3.09Å; A293-D296 PolarHBondContact O-N 2.87Å; L294-D296 VanDerWaalsContact C-N 3.29Å; L294-D296 PolarHBondContact O-N 3.32Å; D296-K299 WeakPolarHBondContact O-CB 3.29Å; D296-K299 PolarHBondContact O-N 2.97Å; D296-K299 IonicContact OD1-NZ 2.69Å; D296-K299 PolarHBondContact OD1-NZ 3.17Å
297I98.7Very high97.5Very high0 Ų064.1 Ų64.10%030%0.301CS..Hα-helixtrans-59.1-46.5168.3-71.1165.3000110.3I199 I203 A293 L294 K299 L300 K308 L311 E312 T315I199-I297 HydrophobicContact CD1-CG1 4.33Å; I199-I297 HydrophobicContact CG2-CD1 4.05Å; I199-I297 HydrophobicContact CG2-CG1 3.65Å; I203-I297 HydrophobicContact CD1-CD1 4.4Å; A293-I297 VanDerWaalsContact O-CG1 3.29Å; A293-I297 WeakPolarHBondContact O-CG1 3.35Å; A293-I297 PolarHBondContact O-N 2.97Å; L294-I297 PolarHBondContact O-N 2.86Å; I297-K299 PolarHBondContact O-N 3.48Å; I297-L300 HydrophobicContact CG2-CD1 4.41Å; I297-L300 VanDerWaalsContact O-CB 3.22Å; I297-L300 WeakPolarHBondContact O-CB 3.22Å; I297-L300 WeakPolarHBondContact O-CG 3.5Å; I297-L300 PolarHBondContact O-N 3.47Å; I297-K308 HydrophobicContact CG2-CG 4.46Å; I297-L311 HydrophobicContact CD1-CB 4.34Å; I297-L311 HydrophobicContact CG1-CB 4.49Å; I297-L311 HydrophobicContact CG2-CB 3.86Å; I297-E312 HydrophobicContact CG2-CB 4.03Å; I297-T315 HydrophobicContact CD1-CG2 4.17Å; I297-T315 WeakPolarHBondContact CD1-OG1 3.37Å
298R98.3Very high97.6Very high104 Ų10462.9 Ų62.939%0.39229%0.29SS..THydrogen-bonded Turntrans-60-20.8178.6-72166.6-170.7138.24.1113.6E291 L294 K308 E312E291-R298 IonicContact OE2-NH1 2.74Å; L294-R298 VanDerWaalsContact O-CG 3.24Å; L294-R298 WeakPolarHBondContact O-CG 3.43Å; L294-R298 PolarHBondContact O-N 3.34Å; R298-K308 VanDerWaalsContact O-CE 3.24Å; R298-K308 WeakPolarHBondContact O-CE 3.08Å; R298-K308 PolarHBondContact O-NZ 3.4Å; R298-E312 IonicContact CZ-OE1 2.75Å; R298-E312 VanDerWaalsContact CZ-OE1 3.3Å; R298-E312 IonicContact NE-OE1 2.97Å; R298-E312 PolarHBondContact NE-OE1 3.07Å; R298-E312 IonicContact NH2-OE1 2.82Å; R298-E312 PolarHBondContact NH2-OE1 3.26Å
299K98Very high97.7Very high114 Ų11462 Ų6250%0.49629%0.286SS..THydrogen-bonded Turntrans-88.9-1.7174.8-62.1170.1-165.5160.70113.5K195 K295 D296 I297K195-K299 VanDerWaalsContact NZ-C 3.26Å; K195-K299 PolarHBondContact NZ-O 3.34Å; K295-K299 WeakPolarHBondContact O-CG 3.38Å; D296-K299 WeakPolarHBondContact O-CB 3.29Å; D296-K299 PolarHBondContact O-N 2.97Å; D296-K299 IonicContact OD1-NZ 2.69Å; D296-K299 PolarHBondContact OD1-NZ 3.17Å; I297-K299 PolarHBondContact O-N 3.48Å
300L98.4Very high97.7Very high5 Ų561.8 Ų61.83%0.02629%0.287CS..SBendtrans-69152.5173.2-65.7172.7000109.5F53 F56 F192 K195 I199 I297 K308 L311F53-L300 HydrophobicContact CE1-CD1 3.92Å; F53-L300 HydrophobicContact CE1-CD2 4.39Å; F53-L300 HydrophobicContact CZ-CD1 4.23Å; F56-L300 HydrophobicContact CE1-CB 4.35Å; F56-L300 HydrophobicContact CE2-CD1 3.97Å; F56-L300 HydrophobicContact CZ-CB 4.02Å; F56-L300 HydrophobicContact CZ-CD1 3.89Å; F56-L300 HydrophobicContact CZ-CG 4.46Å; F192-L300 HydrophobicContact CE2-CD2 3.79Å; F192-L300 HydrophobicContact CZ-CD2 3.9Å; K195-L300 HydrophobicContact CD-CD2 4.37Å; I199-L300 HydrophobicContact CD1-CD1 4.01Å; I199-L300 HydrophobicContact CD1-CD2 3.99Å; I199-L300 HydrophobicContact CD1-CG 4.11Å; I297-L300 HydrophobicContact CG2-CD1 4.41Å; I297-L300 VanDerWaalsContact O-CB 3.22Å; I297-L300 WeakPolarHBondContact O-CB 3.22Å; I297-L300 WeakPolarHBondContact O-CG 3.5Å; I297-L300 PolarHBondContact O-N 3.47Å; L300-K308 HydrophobicContact CB-CG 4.49Å; L300-K308 WeakPolarHBondContact O-CD 3.37Å; L300-L311 HydrophobicContact CD1-CD1 3.75Å
301P97.7Very high97.7Very high72 Ų7261.2 Ų61.247%0.46828%0.283SS..PPolyproline II helixtrans-66.3152.8174.829.9-34.8000110.2F56 F192F56-P301 HydrophobicContact CD1-CG 4.03Å; F56-P301 HydrophobicContact CE1-CG 4.18Å; F56-P301 VanDerWaalsContact CE1-O 3.29Å; F56-P301 WeakPolarHBondContact CE1-O 3.47Å; F192-P301 HydrophobicContact CE2-CG 4.24Å
302D98.1Very high97.7Very high109 Ų10959.2 Ų59.258%0.58327%0.273SS*.PPolyproline II helixtrans-74.3150.5166.8-51.2-38.9000108.7K308D302-K308 VanDerWaalsContact OD1-CD 3.25Å; D302-K308 WeakPolarHBondContact OD1-CD 3.28Å; D302-K308 IonicContact OD1-NZ 3.43Å; D302-K308 PolarHBondContact OD1-NZ 3.3Å
303N96.6Very high97.7Very high34 Ų3461.7 Ų61.718%0.18228%0.28CS..  trans-143170.9176.673.5-6.8000111.2Q55 F305 N306 T307Q55-N303 PolarHBondContact O-ND2 3.03Å; N303-F305 PolarHBondContact O-N 3.39Å; N303-F305 VanDerWaalsContact O-N 3.09Å; N303-F305 PolarHBondContact OD1-N 2.85Å; N303-N306 PolarHBondContact O-N 3.48Å; N303-N306 VanDerWaalsContact O-N 3.1Å; N303-N306 PolarHBondContact OD1-N 3.09Å; N303-T307 VanDerWaalsContact CG-OG1 3.31Å; N303-T307 PolarHBondContact ND2-OG1 3.28Å; N303-T307 WeakPolarHBondContact OD1-CB 3.25Å; N303-T307 PolarHBondContact OD1-N 3.39Å; N303-T307 PolarHBondContact OD1-OG1 3.34Å
304Y94.7Very high97.6Very high210 Ų21061.7 Ų61.782%0.82428%0.28SS*.THydrogen-bonded Turntrans-54.4-31.8-179-180-100.5000113.6
305F95.8Very high97.5Very high71 Ų7161.4 Ų61.431%0.31128%0.278SS..THydrogen-bonded Turntrans-87.20.6-175.7-54.6-74.6000114.4Q55 N303 T307 K310Q55-F305 HydrophobicContact CB-CB 4.46Å; Q55-F305 HydrophobicContact CB-CD2 3.9Å; Q55-F305 HydrophobicContact CB-CG 4.37Å; Q55-F305 HydrophobicContact CG-CD2 4.34Å; Q55-F305 HydrophobicContact CG-CG 4.47Å; N303-F305 PolarHBondContact O-N 3.39Å; N303-F305 VanDerWaalsContact O-N 3.09Å; N303-F305 PolarHBondContact OD1-N 2.85Å; F305-T307 PolarHBondContact O-N 2.93Å; F305-K310 VanDerWaalsContact O-CE 3.23Å; F305-K310 WeakPolarHBondContact O-CE 3.29Å; F305-K310 PolarHBondContact O-NZ 3.3Å
306N97.2Very high97.4Very high95 Ų9558 Ų5851%0.50827%0.268SS..  trans51.243.6-171.3-56.2-48.3000111.7N303 K308 E309 K310N303-N306 PolarHBondContact O-N 3.48Å; N303-N306 VanDerWaalsContact O-N 3.1Å; N303-N306 PolarHBondContact OD1-N 3.09Å; N306-K308 VanDerWaalsContact C-N 3.34Å; N306-K308 PolarHBondContact O-N 2.98Å; N306-E309 WeakPolarHBondContact CA-OE2 3.26Å; N306-E309 WeakPolarHBondContact CB-OE2 3.05Å; N306-E309 PolarHBondContact O-N 2.78Å; N306-K310 WeakPolarHBondContact O-CG 3.16Å; N306-K310 PolarHBondContact O-N 3.41Å; N306-K310 VanDerWaalsContact O-N 3.12Å
307T98Very high97.1Very high0 Ų059.7 Ų59.70%028%0.276CS..Hα-helixtrans-66.2-39.1-171.9-57.50000111.5L52 Q55 F56 N303 F305 K310 L311L52-T307 HydrophobicContact CB-CG2 4.18Å; L52-T307 HydrophobicContact CD2-CG2 4.42Å; L52-T307 WeakPolarHBondContact O-CG2 3.47Å; Q55-T307 HydrophobicContact CB-CG2 4.14Å; Q55-T307 VanDerWaalsContact CB-OG1 3.31Å; Q55-T307 WeakPolarHBondContact CB-OG1 3.24Å; Q55-T307 PolarHBondContact OE1-OG1 3.06Å; F56-T307 HydrophobicContact CD2-CG2 4.02Å; F56-T307 HydrophobicContact CE1-CG2 4.31Å; F56-T307 HydrophobicContact CE2-CG2 3.4Å; F56-T307 HydrophobicContact CZ-CG2 3.57Å; N303-T307 VanDerWaalsContact CG-OG1 3.31Å; N303-T307 PolarHBondContact ND2-OG1 3.28Å; N303-T307 WeakPolarHBondContact OD1-CB 3.25Å; N303-T307 PolarHBondContact OD1-N 3.39Å; N303-T307 PolarHBondContact OD1-OG1 3.34Å; F305-T307 PolarHBondContact O-N 2.93Å; T307-K310 PolarHBondContact O-N 3.06Å; T307-L311 HydrophobicContact CG2-CD1 4.07Å; T307-L311 HydrophobicContact CG2-CG 4.41Å; T307-L311 WeakPolarHBondContact O-CB 3.14Å; T307-L311 WeakPolarHBondContact O-CG 3.39Å; T307-L311 PolarHBondContact O-N 2.83Å
308K98.3Very high96.7Very high39 Ų3960.2 Ų60.217%0.1728%0.279CS..Hα-helixtrans-59.7-47.5178.1171.9-174.2165.4-172.20111.6I297 R298 L300 D302 N306 K310 L311 E312I297-K308 HydrophobicContact CG2-CG 4.46Å; R298-K308 VanDerWaalsContact O-CE 3.24Å; R298-K308 WeakPolarHBondContact O-CE 3.08Å; R298-K308 PolarHBondContact O-NZ 3.4Å; L300-K308 HydrophobicContact CB-CG 4.49Å; L300-K308 WeakPolarHBondContact O-CD 3.37Å; D302-K308 VanDerWaalsContact OD1-CD 3.25Å; D302-K308 WeakPolarHBondContact OD1-CD 3.28Å; D302-K308 IonicContact OD1-NZ 3.43Å; D302-K308 PolarHBondContact OD1-NZ 3.3Å; N306-K308 VanDerWaalsContact C-N 3.34Å; N306-K308 PolarHBondContact O-N 2.98Å; K308-K310 VanDerWaalsContact C-N 3.35Å; K308-L311 PolarHBondContact O-N 2.81Å; K308-E312 PolarHBondContact O-N 2.69Å
309E97.8Very high96.1Very high83 Ų8355.6 Ų55.639%0.38826%0.262SS..Hα-helixtrans-64.2-41.3177.6-64.376.3-169.400111N306 E312 R313N306-E309 WeakPolarHBondContact CA-OE2 3.26Å; N306-E309 WeakPolarHBondContact CB-OE2 3.05Å; N306-E309 PolarHBondContact O-N 2.78Å; E309-E312 PolarHBondContact O-N 2.51Å; E309-R313 WeakPolarHBondContact O-CB 3.28Å; E309-R313 PolarHBondContact O-N 3.28Å
310K98.1Very high95Very high51 Ų5154.3 Ų54.322%0.22227%0.267CS..Hα-helixtrans-60.6-44.8175.3-73.5168.7178.21690111.5Y5 L52 F305 N306 T307 K308 L314Y5-K310 HydrophobicContact CD1-CB 4.46Å; Y5-K310 HydrophobicContact CD1-CG 4.32Å; Y5-K310 HydrophobicContact CE1-CB 4.09Å; Y5-K310 HydrophobicContact CE1-CG 4.26Å; L52-K310 HydrophobicContact CD2-CB 4.02Å; L52-K310 HydrophobicContact CD2-CD 4.08Å; F305-K310 VanDerWaalsContact O-CE 3.23Å; F305-K310 WeakPolarHBondContact O-CE 3.29Å; F305-K310 PolarHBondContact O-NZ 3.3Å; N306-K310 WeakPolarHBondContact O-CG 3.16Å; N306-K310 PolarHBondContact O-N 3.41Å; N306-K310 VanDerWaalsContact O-N 3.12Å; T307-K310 PolarHBondContact O-N 3.06Å; K308-K310 VanDerWaalsContact C-N 3.35Å; K310-L314 VanDerWaalsContact O-CB 3.24Å; K310-L314 WeakPolarHBondContact O-CB 3.22Å; K310-L314 PolarHBondContact O-N 2.85Å
311L98.3Very high93Very high0 Ų059.7 Ų59.70%029%0.287CS..Hα-helixtrans-62.8-47.1175.9-76.7168.7000111.4Y49 L52 F53 F56 I297 L300 T307 K308 R313 L314 T315Y49-L311 HydrophobicContact CD1-CD2 3.5Å; Y49-L311 HydrophobicContact CE1-CD2 3.72Å; L52-L311 HydrophobicContact CB-CD2 3.88Å; L52-L311 HydrophobicContact CB-CG 4.23Å; L52-L311 HydrophobicContact CD1-CD2 3.76Å; L52-L311 HydrophobicContact CD1-CG 4.22Å; L52-L311 HydrophobicContact CG-CD2 4.47Å; F53-L311 HydrophobicContact CD2-CD2 4.36Å; F53-L311 HydrophobicContact CE1-CD1 4.24Å; F53-L311 HydrophobicContact CE2-CD1 4.18Å; F53-L311 HydrophobicContact CE2-CD2 3.98Å; F53-L311 HydrophobicContact CZ-CD1 3.99Å; F56-L311 HydrophobicContact CE2-CD1 3.77Å; F56-L311 HydrophobicContact CZ-CD1 4.18Å; I297-L311 HydrophobicContact CD1-CB 4.34Å; I297-L311 HydrophobicContact CG1-CB 4.49Å; I297-L311 HydrophobicContact CG2-CB 3.86Å; L300-L311 HydrophobicContact CD1-CD1 3.75Å; T307-L311 HydrophobicContact CG2-CD1 4.07Å; T307-L311 HydrophobicContact CG2-CG 4.41Å; T307-L311 WeakPolarHBondContact O-CB 3.14Å; T307-L311 WeakPolarHBondContact O-CG 3.39Å; T307-L311 PolarHBondContact O-N 2.83Å; K308-L311 PolarHBondContact O-N 2.81Å; L311-R313 VanDerWaalsContact C-N 3.35Å; L311-R313 PolarHBondContact O-N 2.7Å; L311-L314 PolarHBondContact O-N 3.41Å; L311-T315 VanDerWaalsContact O-CB 3.27Å; L311-T315 WeakPolarHBondContact O-CB 3.24Å; L311-T315 PolarHBondContact O-N 3.12Å; L311-T315 PolarHBondContact O-OG1 3.47Å
312E97.6Very high90.5Very high55 Ų5565.3 Ų65.326%0.25730%0.304SS..Hα-helixtrans-60.4-46.4179-176.7167.4-172.100110.9L294 I297 R298 K308 E309 S316L294-E312 HydrophobicContact CD2-CG 4.1Å; I297-E312 HydrophobicContact CG2-CB 4.03Å; R298-E312 IonicContact CZ-OE1 2.75Å; R298-E312 VanDerWaalsContact CZ-OE1 3.3Å; R298-E312 IonicContact NE-OE1 2.97Å; R298-E312 PolarHBondContact NE-OE1 3.07Å; R298-E312 IonicContact NH2-OE1 2.82Å; R298-E312 PolarHBondContact NH2-OE1 3.26Å; K308-E312 PolarHBondContact O-N 2.69Å; E309-E312 PolarHBondContact O-N 2.51Å; E312-S316 VanDerWaalsContact O-CB 3.29Å; E312-S316 WeakPolarHBondContact O-CB 3.44Å; E312-S316 PolarHBondContact O-N 3.45Å; E312-S316 PolarHBondContact O-OG 3.01Å
313R96.5Very high87.6Confident121 Ų12167 Ų6746%0.45732%0.324SS..Hα-helixtrans-64.6-45.1178.2-165.9-17886.2-173-2.7112D4 Y5 E309 L311 S316 Q317D4-R313 PolarHBondContact O-NH2 3.39Å; Y5-R313 PolarHBondContact OH-NE 2.87Å; E309-R313 WeakPolarHBondContact O-CB 3.28Å; E309-R313 PolarHBondContact O-N 3.28Å; L311-R313 VanDerWaalsContact C-N 3.35Å; L311-R313 PolarHBondContact O-N 2.7Å; R313-S316 PolarHBondContact O-N 3.32Å; R313-Q317 VanDerWaalsContact O-CB 3.28Å; R313-Q317 WeakPolarHBondContact O-CB 3.22Å; R313-Q317 PolarHBondContact O-N 3.48Å
314L96.5Very high87.1Confident0 Ų068.6 Ų68.60%033%0.331CS..Hα-helixtrans-63.8-49.4-179177.961.8000110.6M1 W2 Y5 Y49 L52 K310 L311 S316 Q317 I318M1-L314 HydrophobicContact SD-CD1 4.26Å; W2-L314 HydrophobicContact CH2-CD1 3.86Å; W2-L314 HydrophobicContact CH2-CD2 4.15Å; W2-L314 HydrophobicContact CZ3-CD1 3.79Å; W2-L314 HydrophobicContact CZ3-CD2 4.19Å; Y5-L314 HydrophobicContact CE1-CB 4.49Å; Y5-L314 HydrophobicContact CE2-CD1 4.46Å; Y5-L314 VanDerWaalsContact OH-CA 3.32Å; Y5-L314 WeakPolarHBondContact OH-CA 3.44Å; Y5-L314 PolarHBondContact OH-N 3.46Å; Y5-L314 VanDerWaalsContact OH-N 3.09Å; Y49-L314 HydrophobicContact CD1-CD2 4.49Å; Y49-L314 HydrophobicContact CE1-CD2 4.06Å; Y49-L314 HydrophobicContact CE2-CD2 4.25Å; L52-L314 HydrophobicContact CD1-CD2 3.88Å; K310-L314 VanDerWaalsContact O-CB 3.24Å; K310-L314 WeakPolarHBondContact O-CB 3.22Å; K310-L314 PolarHBondContact O-N 2.85Å; L311-L314 PolarHBondContact O-N 3.41Å; L314-S316 VanDerWaalsContact C-N 3.34Å; L314-S316 PolarHBondContact O-N 3.07Å; L314-Q317 PolarHBondContact O-N 2.98Å; L314-Q317 VanDerWaalsContact O-N 3.14Å; L314-I318 HydrophobicContact CD1-CG2 4.11Å; L314-I318 WeakPolarHBondContact O-CG2 3.07Å; L314-I318 PolarHBondContact O-N 3.21Å
315T96.6Very high86.7Confident0 Ų061.2 Ų61.20%031%0.305CS..Hα-helixtrans-61-43.7179-60.20000111.2Y49 I203 A293 L294 I297 L311 Q317 I318 L319Y49-T315 VanDerWaalsContact OH-CA 3.31Å; Y49-T315 WeakPolarHBondContact OH-CA 3.49Å; Y49-T315 PolarHBondContact OH-OG1 3.29Å; I203-T315 HydrophobicContact CD1-CG2 4.25Å; I203-T315 HydrophobicContact CG1-CG2 3.96Å; A293-T315 HydrophobicContact CB-CG2 4.46Å; L294-T315 HydrophobicContact CD2-CG2 3.8Å; L294-T315 HydrophobicContact CG-CG2 4.31Å; I297-T315 HydrophobicContact CD1-CG2 4.17Å; I297-T315 WeakPolarHBondContact CD1-OG1 3.37Å; L311-T315 VanDerWaalsContact O-CB 3.27Å; L311-T315 WeakPolarHBondContact O-CB 3.24Å; L311-T315 PolarHBondContact O-N 3.12Å; L311-T315 PolarHBondContact O-OG1 3.47Å; T315-Q317 PolarHBondContact O-N 2.96Å; T315-I318 PolarHBondContact O-N 3.18Å; T315-L319 HydrophobicContact CG2-CD1 3.66Å; T315-L319 HydrophobicContact CG2-CG 4.39Å; T315-L319 WeakPolarHBondContact O-CB 3.36Å; T315-L319 WeakPolarHBondContact O-CG 3.33Å; T315-L319 PolarHBondContact O-N 3.22Å
316S95.1Very high86.2Confident38 Ų3860.6 Ų60.627%0.26631%0.305SS..Hα-helixtrans-59.8-47.2173.5-57.80000111E312 R313 L314 I318 L319 S320E312-S316 VanDerWaalsContact O-CB 3.29Å; E312-S316 WeakPolarHBondContact O-CB 3.44Å; E312-S316 PolarHBondContact O-N 3.45Å; E312-S316 PolarHBondContact O-OG 3.01Å; R313-S316 PolarHBondContact O-N 3.32Å; L314-S316 VanDerWaalsContact C-N 3.34Å; L314-S316 PolarHBondContact O-N 3.07Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3.08Å; S316-L319 PolarHBondContact O-N 3.49Å; S316-S320 WeakPolarHBondContact O-CB 3.25Å; S316-S320 PolarHBondContact O-N 3.49Å; S316-S320 PolarHBondContact O-OG 3.29Å
317Q92.3Very high85.6Confident53 Ų5358.6 Ų58.625%0.24829%0.293CS..Hα-helixtrans-63.7-32.4-177.3-175.5-179.423.300113.9R313 L314 T315 R321R313-Q317 VanDerWaalsContact O-CB 3.28Å; R313-Q317 WeakPolarHBondContact O-CB 3.22Å; R313-Q317 PolarHBondContact O-N 3.48Å; L314-Q317 PolarHBondContact O-N 2.98Å; L314-Q317 VanDerWaalsContact O-N 3.14Å; T315-Q317 PolarHBondContact O-N 2.96Å; Q317-R321 WeakPolarHBondContact O-CG 3.44Å; Q317-R321 PolarHBondContact O-NE 2.69Å
318I90.7Very high84.8Confident11 Ų1162.3 Ų62.36%0.05631%0.311CS..Hα-helixtrans-87.6-26.9-179.771176.9000112.7M1 L45 Y49 I203 L314 T315 S316M1-I318 HydrophobicContact CE-CG2 3.78Å; M1-I318 HydrophobicContact SD-CG2 4.21Å; L45-I318 HydrophobicContact CD1-CD1 4.23Å; L45-I318 HydrophobicContact CD2-CD1 4.43Å; L45-I318 HydrophobicContact CD2-CG2 3.91Å; Y49-I318 HydrophobicContact CE2-CD1 3.84Å; Y49-I318 WeakPolarHBondContact OH-CD1 3.45Å; I203-I318 HydrophobicContact CG2-CD1 4.21Å; L314-I318 HydrophobicContact CD1-CG2 4.11Å; L314-I318 WeakPolarHBondContact O-CG2 3.07Å; L314-I318 PolarHBondContact O-N 3.21Å; T315-I318 PolarHBondContact O-N 3.18Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3.08Å
319L85.9Confident83.9Confident7 Ų763.8 Ų63.84%0.03732%0.321CS..Hα-helixtrans-102.2-17.2-175.6-57.6-178.2000114.2A206 F207 T290 T315 S316A206-L319 HydrophobicContact CB-CD1 3.74Å; A206-L319 HydrophobicContact CB-CD2 3.89Å; A206-L319 HydrophobicContact CB-CG 4.4Å; F207-L319 HydrophobicContact CB-CD2 4.23Å; T290-L319 HydrophobicContact CG2-CB 3.74Å; T290-L319 HydrophobicContact CG2-CD1 3.82Å; T290-L319 HydrophobicContact CG2-CG 4.42Å; T290-L319 WeakPolarHBondContact OG1-CD1 3.44Å; T315-L319 HydrophobicContact CG2-CD1 3.66Å; T315-L319 HydrophobicContact CG2-CG 4.39Å; T315-L319 WeakPolarHBondContact O-CB 3.36Å; T315-L319 WeakPolarHBondContact O-CG 3.33Å; T315-L319 PolarHBondContact O-N 3.22Å; S316-L319 PolarHBondContact O-N 3.49Å
320S75.1Confident82.9Confident87 Ų8762.4 Ų62.461%0.60832%0.316SS*.SBendtrans-93.87.3178.175.70000114.5S316 K322S316-S320 WeakPolarHBondContact O-CB 3.25Å; S316-S320 PolarHBondContact O-N 3.49Å; S316-S320 PolarHBondContact O-OG 3.29Å; S320-K322 PolarHBondContact O-N 2.61Å
321R56.5Low81.7Confident118 Ų11863.3 Ų63.345%0.44532%0.323SS..  trans-66.5102.3176.5-70.3-174.9177.7-153.4-7.4109.5M210 Q317M210-R321 VanDerWaalsContact CE-O 3.3Å; M210-R321 WeakPolarHBondContact CE-O 3.29Å; Q317-R321 WeakPolarHBondContact O-CG 3.44Å; Q317-R321 PolarHBondContact O-NE 2.69Å
322K44.7Very low80.4Confident190 Ų19068.6 Ų68.683%0.82635%0.35SS*.  trans-70.5130145.6-63.9-172.5176.3-170.80106.2S320S320-K322 PolarHBondContact O-N 2.61Å
323S37.1Very low78.8Confident143 Ų14369.8 Ų69.8100%136%0.358SS*.  trans-45.60174-68.20000112.7L214L214-S323 WeakPolarHBondContact CD2-OG 3.49Å

Retrieved 323 of 323 residues in 2566.8 ms (Link to these results)

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