A0A077ZGJ8_TRITR Loading...

Gamma-tubulin complex component

AlphaFold DB , UniProt , Accession A0A077ZGJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 583 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
1M73.6Confident83Confident88 Ų8857.7 Ų57.743%0.43328%0.277SS..  0-53.70-65-43.5-148.900113.4Q3 I4 L5 L102 C108 I110 I113M1-Q3 PolarHBondContact O-N 3.02Å; M1-I4 WeakPolarHBondContact O-CA 3.35Å; M1-I4 VanDerWaalsContact O-CB 3.29Å; M1-I4 WeakPolarHBondContact O-CB 3.46Å; M1-I4 PolarHBondContact O-N 2.97Å; M1-I4 HydrophobicContact SD-CD1 3.71Å; M1-L5 PolarHBondContact O-N 2.79Å; M1-L102 HydrophobicContact CB-CD1 4.21Å; M1-L102 HydrophobicContact CB-CD2 3.76Å; M1-L102 HydrophobicContact CG-CD2 3.79Å; M1-C108 WeakPolarHBondContact CE-O 3.32Å; M1-I110 HydrophobicContact CE-CG1 4.42Å; M1-I113 HydrophobicContact CE-CD1 3.91Å; M1-I113 HydrophobicContact SD-CD1 3.84Å
2Q79.1Confident82.2Confident156 Ų15663.3 Ų63.373%0.72931%0.309SS*.Hα-helixtrans-52.1-39.5175.8-70.8174-1800113.4I4 L5 L6Q2-I4 PolarHBondContact O-N 3.32Å; Q2-L5 WeakPolarHBondContact O-CB 3.46Å; Q2-L5 PolarHBondContact O-N 2.81Å; Q2-L5 VanDerWaalsContact O-N 3.16Å; Q2-L6 PolarHBondContact O-N 2.96Å
3Q81.6Confident81.2Confident78 Ų7858.8 Ų58.836%0.36429%0.288SS..Hα-helixtrans-60.5-30.8173.8-67-61.1-23.900113.5M1 S7 W17M1-Q3 PolarHBondContact O-N 3.02Å; Q3-S7 WeakPolarHBondContact O-CB 3.27Å; Q3-S7 PolarHBondContact O-N 3.42Å; Q3-S7 PolarHBondContact O-OG 3.02Å; Q3-W17 HydrophobicContact CB-CH2 3.89Å; Q3-W17 HydrophobicContact CB-CZ2 3.96Å
4I81.8Confident80.4Confident4 Ų461.5 Ų61.52%0.02130%0.297CS..Hα-helixtrans-70-43.8175.2-58.1-178.1000110.2M1 Q2 L6 S7 L8 W17 L37 I110 I113M1-I4 WeakPolarHBondContact O-CA 3.35Å; M1-I4 VanDerWaalsContact O-CB 3.29Å; M1-I4 WeakPolarHBondContact O-CB 3.46Å; M1-I4 PolarHBondContact O-N 2.97Å; M1-I4 HydrophobicContact SD-CD1 3.71Å; Q2-I4 PolarHBondContact O-N 3.32Å; I4-L6 VanDerWaalsContact C-N 3.34Å; I4-L6 PolarHBondContact O-N 3.44Å; I4-S7 WeakPolarHBondContact O-CB 3.46Å; I4-S7 PolarHBondContact O-N 2.98Å; I4-S7 VanDerWaalsContact O-N 3.15Å; I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 HydrophobicContact CG2-CG 4.38Å; I4-L8 WeakPolarHBondContact O-CB 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.43Å; I4-L8 PolarHBondContact O-N 3.29Å; I4-W17 HydrophobicContact CB-CH2 4.42Å; I4-W17 HydrophobicContact CD1-CH2 4.23Å; I4-W17 HydrophobicContact CG1-CH2 3.32Å; I4-W17 HydrophobicContact CG1-CZ2 3.8Å; I4-W17 HydrophobicContact CG1-CZ3 4.21Å; I4-L37 HydrophobicContact CG2-CD1 3.85Å; I4-I110 HydrophobicContact CD1-CD1 4.13Å; I4-I110 HydrophobicContact CD1-CG1 3.73Å; I4-I113 HydrophobicContact CD1-CD1 4.14Å; I4-I113 HydrophobicContact CG2-CD1 4.41Å; I4-I113 HydrophobicContact CG2-CG2 4.07Å
5L84.3Confident79.7Confident18 Ų1864.2 Ų64.29%0.09431%0.314CS..Hα-helixtrans-59.4-45.4175-75.9173.3000111.5M1 Q2 S7 L8 L9 L98 D99 L102M1-L5 PolarHBondContact O-N 2.79Å; Q2-L5 WeakPolarHBondContact O-CB 3.46Å; Q2-L5 PolarHBondContact O-N 2.81Å; Q2-L5 VanDerWaalsContact O-N 3.16Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.28Å; L5-L8 PolarHBondContact O-N 3.4Å; L5-L9 WeakPolarHBondContact O-CG 3.09Å; L5-L9 PolarHBondContact O-N 3.47Å; L5-L98 HydrophobicContact CD2-CB 4.45Å; L5-L98 HydrophobicContact CD2-CD2 3.47Å; L5-L98 VanDerWaalsContact CD2-CD2 3.47Å; L5-L98 HydrophobicContact CG-CD2 4.18Å; L5-D99 HydrophobicContact CD1-CB 3.84Å; L5-D99 VanDerWaalsContact CD1-OD1 3.31Å; L5-D99 WeakPolarHBondContact CD1-OD1 3.17Å; L5-L102 HydrophobicContact CD1-CD1 3.65Å; L5-L102 HydrophobicContact CD2-CD1 4.45Å; L5-L102 HydrophobicContact CG-CD1 3.94Å
6L84.8Confident79.4Confident68 Ų6863.9 Ų63.936%0.35631%0.313SS..Hα-helixtrans-60.5-41.5174.2-68.9175.2000111.5Q2 I4 L8 L9 G10 Y11Q2-L6 PolarHBondContact O-N 2.96Å; I4-L6 VanDerWaalsContact C-N 3.34Å; I4-L6 PolarHBondContact O-N 3.44Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 2.98Å; L6-L9 PolarHBondContact O-N 3.49Å; L6-G10 PolarHBondContact O-N 3.43Å; L6-Y11 HydrophobicContact CB-CD2 4.32Å; L6-Y11 HydrophobicContact CD2-CD2 3.99Å; L6-Y11 HydrophobicContact CD2-CE2 4.32Å; L6-Y11 WeakPolarHBondContact O-CB 3.38Å; L6-Y11 WeakPolarHBondContact O-CD2 3.45Å; L6-Y11 PolarHBondContact O-N 3.24Å
7S86.4Confident79.1Confident3 Ų360.8 Ų60.82%0.02130%0.297CS..Hα-helixtrans-61.8-40.3175.6-51.90000112Q3 I4 L5 L9 G10 S13 W17 G41Q3-S7 WeakPolarHBondContact O-CB 3.27Å; Q3-S7 PolarHBondContact O-N 3.42Å; Q3-S7 PolarHBondContact O-OG 3.02Å; I4-S7 WeakPolarHBondContact O-CB 3.46Å; I4-S7 PolarHBondContact O-N 2.98Å; I4-S7 VanDerWaalsContact O-N 3.15Å; L5-S7 VanDerWaalsContact C-N 3.3Å; L5-S7 PolarHBondContact O-N 3.28Å; S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.3Å; S7-G10 WeakPolarHBondContact O-CA 3.5Å; S7-G10 PolarHBondContact O-N 3.1Å; S7-S13 WeakPolarHBondContact CB-OG 3.45Å; S7-S13 WeakPolarHBondContact OG-CB 3.42Å; S7-S13 PolarHBondContact OG-OG 3.06Å; S7-W17 PolarHBondContact OG-NE1 3.37Å; S7-G41 WeakPolarHBondContact O-CA 3.39Å
8L88.4Confident78.7Confident0 Ų066.6 Ų66.60%032%0.315CS..Hα-helixtrans-70.8-25179-76172.5000113.5I4 L5 L6 L37 L40 G41 Y91 L95 I113 I117I4-L8 HydrophobicContact CG2-CD1 4.04Å; I4-L8 HydrophobicContact CG2-CG 4.38Å; I4-L8 WeakPolarHBondContact O-CB 3.3Å; I4-L8 WeakPolarHBondContact O-CG 3.43Å; I4-L8 PolarHBondContact O-N 3.29Å; L5-L8 PolarHBondContact O-N 3.4Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 2.98Å; L8-L37 HydrophobicContact CD2-CB 4.1Å; L8-L37 HydrophobicContact CD2-CD2 3.93Å; L8-L40 HydrophobicContact CD2-CD2 3.97Å; L8-G41 WeakPolarHBondContact O-CA 3.08Å; L8-Y91 PolarHBondContact O-OH 2.97Å; L8-L95 HydrophobicContact CB-CD1 4.28Å; L8-L95 HydrophobicContact CB-CD2 3.82Å; L8-L95 HydrophobicContact CD1-CD2 3.78Å; L8-L95 HydrophobicContact CG-CD2 4.35Å; L8-I113 HydrophobicContact CD1-CG2 4.17Å; L8-I117 HydrophobicContact CD1-CG1 4.27Å; L8-I117 HydrophobicContact CD2-CG2 4.04Å
9L88.1Confident78.4Confident75 Ų7569.5 Ų69.539%0.39333%0.329SS..THydrogen-bonded Turntrans-80.2-2.8166.9-67.9170.3000112.6L5 L6 S7 Y11 L95L5-L9 WeakPolarHBondContact O-CG 3.09Å; L5-L9 PolarHBondContact O-N 3.47Å; L6-L9 PolarHBondContact O-N 3.49Å; S7-L9 VanDerWaalsContact C-N 3.31Å; S7-L9 PolarHBondContact O-N 3.3Å; L9-Y11 HydrophobicContact CB-CD2 3.94Å; L9-Y11 HydrophobicContact CB-CE2 3.98Å; L9-Y11 HydrophobicContact CD1-CE2 4.5Å; L9-L95 HydrophobicContact CD2-CD1 3.59Å; L9-L95 HydrophobicContact CG-CD1 4.05Å
10G82Confident78.1Confident10 Ų1069 Ų6910%0.10333%0.328CS..THydrogen-bonded Turntrans86.317.9176.600000115.2L6 S7 G41 R45L6-G10 PolarHBondContact O-N 3.43Å; S7-G10 WeakPolarHBondContact O-CA 3.5Å; S7-G10 PolarHBondContact O-N 3.1Å; G10-G41 VanDerWaalsContact CA-O 3.29Å; G10-G41 WeakPolarHBondContact CA-O 3.2Å; G10-R45 WeakPolarHBondContact O-CD 3.39Å; G10-R45 PolarHBondContact O-NH1 2.89Å
11Y83.1Confident77.9Confident135 Ų13567.9 Ų67.953%0.52933%0.325SS..  trans-73.7132.8167.7-66.1-82.8000110.1L6 L9 S13L6-Y11 HydrophobicContact CB-CD2 4.32Å; L6-Y11 HydrophobicContact CD2-CD2 3.99Å; L6-Y11 HydrophobicContact CD2-CE2 4.32Å; L6-Y11 WeakPolarHBondContact O-CB 3.38Å; L6-Y11 WeakPolarHBondContact O-CD2 3.45Å; L6-Y11 PolarHBondContact O-N 3.24Å; L9-Y11 HydrophobicContact CB-CD2 3.94Å; L9-Y11 HydrophobicContact CB-CE2 3.98Å; L9-Y11 HydrophobicContact CD1-CE2 4.5Å; Y11-S13 PolarHBondContact O-N 3.25Å
12D73.2Confident77.9Confident125 Ų12568.1 Ų68.167%0.66834%0.336SS*.  trans-68121.1-178.4-171.711.3000110.9K14D12-K14 WeakPolarHBondContact OD1-CB 3.42Å; D12-K14 PolarHBondContact OD1-N 3.01Å
13S69.8Low77.6Confident4 Ų466 Ų663%0.02833%0.333CS..  trans-1338.9-178.6600000111.5S7 Y11 N15 I16 W17S7-S13 WeakPolarHBondContact CB-OG 3.45Å; S7-S13 WeakPolarHBondContact OG-CB 3.42Å; S7-S13 PolarHBondContact OG-OG 3.06Å; Y11-S13 PolarHBondContact O-N 3.25Å; S13-N15 PolarHBondContact O-N 2.91Å; S13-N15 VanDerWaalsContact O-N 3.14Å; S13-I16 WeakPolarHBondContact O-CB 3.28Å; S13-I16 PolarHBondContact O-N 3.26Å; S13-W17 PolarHBondContact O-N 2.69Å; S13-W17 PolarHBondContact OG-NE1 2.71Å
14K68.8Low77Confident97 Ų9765.2 Ų65.242%0.42235%0.346SS..Hα-helixtrans-55.6-37.5-174.1-75.6-178.9178.3179.70112.5D12 R18 V38D12-K14 WeakPolarHBondContact OD1-CB 3.42Å; D12-K14 PolarHBondContact OD1-N 3.01Å; K14-R18 PolarHBondContact O-N 3.4Å; K14-V38 HydrophobicContact CG-CG1 3.91Å
15N70.3Confident76.6Confident102 Ų10268.9 Ų68.955%0.54537%0.372SS..Hα-helixtrans-67.3-36.6178.1-68.2-22.9000112.3S13 R18 Q19S13-N15 PolarHBondContact O-N 2.91Å; S13-N15 VanDerWaalsContact O-N 3.14Å; N15-R18 PolarHBondContact O-N 2.73Å; N15-Q19 VanDerWaalsContact O-CG 3.31Å; N15-Q19 WeakPolarHBondContact O-CG 3.49Å; N15-Q19 PolarHBondContact O-N 2.76Å; N15-Q19 VanDerWaalsContact O-N 3.08Å
16I74.7Confident76.1Confident59 Ų5969.4 Ų69.430%0.30338%0.375SS..Hα-helixtrans-65.8-43-179.9-56.6173.4000110S13 Q19 L20S13-I16 WeakPolarHBondContact O-CB 3.28Å; S13-I16 PolarHBondContact O-N 3.26Å; I16-Q19 PolarHBondContact O-N 3.27Å; I16-L20 HydrophobicContact CG2-CD1 4.1Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.38Å
17W74.3Confident75.8Confident12 Ų1275.5 Ų75.55%0.04539%0.393CS..Hα-helixtrans-66.5-40.7-179.9-57.4117.2000112.7Q3 I4 S7 S13 Q19 L20 V21 L26 M31 V34Q3-W17 HydrophobicContact CB-CH2 3.89Å; Q3-W17 HydrophobicContact CB-CZ2 3.96Å; I4-W17 HydrophobicContact CB-CH2 4.42Å; I4-W17 HydrophobicContact CD1-CH2 4.23Å; I4-W17 HydrophobicContact CG1-CH2 3.32Å; I4-W17 HydrophobicContact CG1-CZ2 3.8Å; I4-W17 HydrophobicContact CG1-CZ3 4.21Å; S7-W17 PolarHBondContact OG-NE1 3.37Å; S13-W17 PolarHBondContact O-N 2.69Å; S13-W17 PolarHBondContact OG-NE1 2.71Å; W17-Q19 VanDerWaalsContact C-N 3.32Å; W17-Q19 PolarHBondContact O-N 3.13Å; W17-L20 HydrophobicContact CE3-CD1 3.82Å; W17-L20 HydrophobicContact CZ3-CD1 3.84Å; W17-L20 PolarHBondContact O-N 2.63Å; W17-V21 WeakPolarHBondContact O-CG2 3.44Å; W17-V21 PolarHBondContact O-N 3.43Å; W17-V21 VanDerWaalsContact O-N 3.09Å; W17-L26 HydrophobicContact CE3-CD1 3.96Å; W17-L26 HydrophobicContact CZ3-CD1 4.33Å; W17-M31 HydrophobicContact CB-CE 3.93Å; W17-M31 HydrophobicContact CB-SD 4.33Å; W17-V34 HydrophobicContact CB-CG1 4.06Å; W17-V34 HydrophobicContact CD2-CG1 3.46Å; W17-V34 VanDerWaalsContact CD2-CG1 3.46Å; W17-V34 HydrophobicContact CE3-CG1 3.86Å; W17-V34 HydrophobicContact CG-CG1 3.52Å
18R71.6Confident75.3Confident164 Ų16480.2 Ų80.262%0.61942%0.424SS*.Hα-helixtrans-62.3-41.3175-70.8179.1-176.3159.1-1.2111.6K14 N15 V21 S22K14-R18 PolarHBondContact O-N 3.4Å; N15-R18 PolarHBondContact O-N 2.73Å; R18-V21 PolarHBondContact O-N 2.92Å; R18-S22 PolarHBondContact O-N 3.38Å; R18-S22 PolarHBondContact O-OG 2.95Å
19Q73.6Confident75Confident122 Ų12283.7 Ų83.757%0.5745%0.448SS*.Hα-helixtrans-63.4-43.7175.7-73.8173.5-9.800111.9N15 I16 W17 V21 S22 V23N15-Q19 VanDerWaalsContact O-CG 3.31Å; N15-Q19 WeakPolarHBondContact O-CG 3.49Å; N15-Q19 PolarHBondContact O-N 2.76Å; N15-Q19 VanDerWaalsContact O-N 3.08Å; I16-Q19 PolarHBondContact O-N 3.27Å; W17-Q19 VanDerWaalsContact C-N 3.32Å; W17-Q19 PolarHBondContact O-N 3.13Å; Q19-V21 VanDerWaalsContact C-N 3.29Å; Q19-V21 PolarHBondContact O-N 3.36Å; Q19-S22 WeakPolarHBondContact CA-OG 3.39Å; Q19-S22 PolarHBondContact O-N 2.9Å; Q19-S22 VanDerWaalsContact O-N 3.13Å; Q19-S22 PolarHBondContact O-OG 3.47Å; Q19-V23 VanDerWaalsContact O-CG2 3.25Å; Q19-V23 WeakPolarHBondContact O-CG2 3.48Å; Q19-V23 PolarHBondContact O-N 2.91Å
20L72.5Confident74.7Confident59 Ų5981.5 Ų81.531%0.30944%0.438SS..Hα-helixtrans-64.6-31.4178.4-72.8170.9000113.3I16 W17 G24 S25 L26I16-L20 HydrophobicContact CG2-CD1 4.1Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.38Å; W17-L20 HydrophobicContact CE3-CD1 3.82Å; W17-L20 HydrophobicContact CZ3-CD1 3.84Å; W17-L20 PolarHBondContact O-N 2.63Å; L20-G24 PolarHBondContact O-N 3.36Å; L20-S25 PolarHBondContact O-N 3.29Å; L20-S25 VanDerWaalsContact O-N 3.08Å; L20-L26 HydrophobicContact CB-CD1 3.67Å; L20-L26 HydrophobicContact CB-CG 4.26Å; L20-L26 HydrophobicContact CD1-CD1 4.09Å; L20-L26 PolarHBondContact O-N 2.93Å
21V73.6Confident74.8Confident46 Ų4682.8 Ų82.828%0.27944%0.442SS..Hα-helixtrans-71.5-43.6171.1175.80000110.6W17 R18 Q19 V23 G24 L26W17-V21 WeakPolarHBondContact O-CG2 3.44Å; W17-V21 PolarHBondContact O-N 3.43Å; W17-V21 VanDerWaalsContact O-N 3.09Å; R18-V21 PolarHBondContact O-N 2.92Å; Q19-V21 VanDerWaalsContact C-N 3.29Å; Q19-V21 PolarHBondContact O-N 3.36Å; V21-V23 VanDerWaalsContact C-N 3.26Å; V21-V23 PolarHBondContact O-N 2.89Å; V21-G24 PolarHBondContact O-N 3.32Å; V21-L26 HydrophobicContact CG2-CB 4.12Å
22S73.4Confident74.8Confident94 Ų9481.9 Ų81.966%0.65745%0.445SS*.Hα-helixtrans-64.2-29.5178.663.50000113.7R18 Q19 G24R18-S22 PolarHBondContact O-N 3.38Å; R18-S22 PolarHBondContact O-OG 2.95Å; Q19-S22 WeakPolarHBondContact CA-OG 3.39Å; Q19-S22 PolarHBondContact O-N 2.9Å; Q19-S22 VanDerWaalsContact O-N 3.13Å; Q19-S22 PolarHBondContact O-OG 3.47Å; S22-G24 VanDerWaalsContact C-N 3.27Å
23V72.5Confident75.4Confident111 Ų11179.1 Ų79.167%0.67343%0.426SS*.THydrogen-bonded Turntrans-83.2-4177.6178.30000111.7Q19 V21 S25Q19-V23 VanDerWaalsContact O-CG2 3.25Å; Q19-V23 WeakPolarHBondContact O-CG2 3.48Å; Q19-V23 PolarHBondContact O-N 2.91Å; V21-V23 VanDerWaalsContact C-N 3.26Å; V21-V23 PolarHBondContact O-N 2.89Å; V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 2.68Å
24G70.6Confident76.1Confident62 Ų6279 Ų7964%0.63943%0.425SS*.THydrogen-bonded Turntrans78.93.6178.900000114.8L20 V21 S22 L26L20-G24 PolarHBondContact O-N 3.36Å; V21-G24 PolarHBondContact O-N 3.32Å; S22-G24 VanDerWaalsContact C-N 3.27Å; G24-L26 VanDerWaalsContact C-N 3.28Å; G24-L26 PolarHBondContact O-N 3.03Å
25S71.6Confident76.9Confident81 Ų8178 Ų7857%0.56642%0.424SS*.SBendtrans-71.9-20.1180-57.40000113.5L20 V23L20-S25 PolarHBondContact O-N 3.29Å; L20-S25 VanDerWaalsContact O-N 3.08Å; V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 2.68Å
26L74.8Confident77.6Confident28 Ų2873.9 Ų73.915%0.14740%0.402CS..SBendtrans-125.5133.4176.5-74.5169000110.4W17 L20 V21 G24 I110W17-L26 HydrophobicContact CE3-CD1 3.96Å; W17-L26 HydrophobicContact CZ3-CD1 4.33Å; L20-L26 HydrophobicContact CB-CD1 3.67Å; L20-L26 HydrophobicContact CB-CG 4.26Å; L20-L26 HydrophobicContact CD1-CD1 4.09Å; L20-L26 PolarHBondContact O-N 2.93Å; V21-L26 HydrophobicContact CG2-CB 4.12Å; G24-L26 VanDerWaalsContact C-N 3.28Å; G24-L26 PolarHBondContact O-N 3.03Å; L26-I110 HydrophobicContact CD2-CD1 3.69Å
27R77.9Confident78.2Confident196 Ų19671.3 Ų71.374%0.7439%0.389SS*.  trans-68.1141.3173.4-65.9-177.9-177.71740.7109.6S29 T30R27-S29 PolarHBondContact O-N 3.19Å; R27-S29 VanDerWaalsContact O-N 3.07Å; R27-T30 HydrophobicContact CB-CG2 4.27Å; R27-T30 PolarHBondContact N-OG1 3.01Å; R27-T30 WeakPolarHBondContact O-CB 3.35Å; R27-T30 PolarHBondContact O-N 3.15Å; R27-T30 PolarHBondContact O-OG1 3.4Å
28P77.3Confident78.8Confident102 Ų10271.3 Ų71.366%0.66239%0.39SS*.G310 helixtrans-52.3-35176.5-28.635.1000113.8T30 M31P28-T30 VanDerWaalsContact C-N 3.29Å; P28-T30 PolarHBondContact O-N 3.27Å; P28-M31 VanDerWaalsContact O-CB 3.24Å; P28-M31 WeakPolarHBondContact O-CB 3.46Å; P28-M31 PolarHBondContact O-N 3.42Å; P28-M31 VanDerWaalsContact O-N 3.13Å
29S81.1Confident79.6Confident73 Ų7367 Ų6751%0.5138%0.38SS..G310 helixtrans-63.6-30.4176.155.80000113.9R27 M31R27-S29 PolarHBondContact O-N 3.19Å; R27-S29 VanDerWaalsContact O-N 3.07Å; S29-M31 PolarHBondContact O-N 3.38Å
30T82.5Confident80.4Confident30 Ų3061.5 Ų61.518%0.18435%0.354CS..G310 helixtrans-71-19.4176.960.40000112.8R27 P28 I32 Y33 V34R27-T30 HydrophobicContact CB-CG2 4.27Å; R27-T30 PolarHBondContact N-OG1 3.01Å; R27-T30 WeakPolarHBondContact O-CB 3.35Å; R27-T30 PolarHBondContact O-N 3.15Å; R27-T30 PolarHBondContact O-OG1 3.4Å; P28-T30 VanDerWaalsContact C-N 3.29Å; P28-T30 PolarHBondContact O-N 3.27Å; T30-I32 PolarHBondContact O-N 2.9Å; T30-Y33 PolarHBondContact O-N 2.86Å; T30-Y33 VanDerWaalsContact O-N 3.16Å; T30-V34 PolarHBondContact O-N 2.94Å
31M82.6Confident81.3Confident36 Ų3658.7 Ų58.718%0.17734%0.339CS..Hα-helixtrans-67.6-23.3-178.8-167.746.7176.500112.9W17 P28 S29 Y33 V34 N35W17-M31 HydrophobicContact CB-CE 3.93Å; W17-M31 HydrophobicContact CB-SD 4.33Å; P28-M31 VanDerWaalsContact O-CB 3.24Å; P28-M31 WeakPolarHBondContact O-CB 3.46Å; P28-M31 PolarHBondContact O-N 3.42Å; P28-M31 VanDerWaalsContact O-N 3.13Å; S29-M31 PolarHBondContact O-N 3.38Å; M31-Y33 VanDerWaalsContact C-N 3.33Å; M31-Y33 PolarHBondContact O-N 3.13Å; M31-V34 PolarHBondContact O-N 3.46Å; M31-V34 HydrophobicContact SD-CB 3.78Å; M31-V34 HydrophobicContact SD-CG1 3.86Å; M31-N35 WeakPolarHBondContact CE-OD1 3.28Å; M31-N35 VanDerWaalsContact O-CB 3.26Å; M31-N35 WeakPolarHBondContact O-CB 3.43Å; M31-N35 PolarHBondContact O-N 2.92Å; M31-N35 PolarHBondContact O-ND2 3.45Å
32I83.7Confident82.1Confident116 Ų11658.3 Ų58.360%0.59534%0.341SS*.Hα-helixtrans-62.2-43.4173.7-60.2173.5000110.6T30 T36T30-I32 PolarHBondContact O-N 2.9Å; I32-T36 PolarHBondContact O-N 3.32Å; I32-T36 PolarHBondContact O-OG1 3.46Å
33Y86.3Confident83Confident68 Ų6854.4 Ų54.427%0.26731%0.314SS..Hα-helixtrans-68.2-45.6177.2-57.1-68.4000111T30 M31 T36 L37 V111 F114T30-Y33 PolarHBondContact O-N 2.86Å; T30-Y33 VanDerWaalsContact O-N 3.16Å; M31-Y33 VanDerWaalsContact C-N 3.33Å; M31-Y33 PolarHBondContact O-N 3.13Å; Y33-T36 PolarHBondContact O-N 3.01Å; Y33-L37 WeakPolarHBondContact O-CG 3.42Å; Y33-L37 PolarHBondContact O-N 2.92Å; Y33-V111 HydrophobicContact CD2-CG2 4.38Å; Y33-V111 HydrophobicContact CE2-CG2 4.18Å; Y33-F114 HydrophobicContact CD1-CB 4.09Å; Y33-F114 AromaticContact CD1-CD1 3.55Å; Y33-F114 HydrophobicContact CD1-CD1 3.55Å; Y33-F114 AromaticContact CD1-CD2 3.73Å; Y33-F114 HydrophobicContact CD1-CD2 3.73Å; Y33-F114 AromaticContact CD1-CE1 3.78Å; Y33-F114 HydrophobicContact CD1-CE1 3.78Å; Y33-F114 AromaticContact CD1-CE2 3.94Å; Y33-F114 HydrophobicContact CD1-CE2 3.94Å; Y33-F114 AromaticContact CD1-CG 3.51Å; Y33-F114 HydrophobicContact CD1-CG 3.51Å; Y33-F114 AromaticContact CD1-CZ 3.97Å; Y33-F114 HydrophobicContact CD1-CZ 3.97Å; Y33-F114 AromaticContact CE1-CD1 3.85Å; Y33-F114 HydrophobicContact CE1-CD1 3.85Å; Y33-F114 AromaticContact CE1-CE1 3.88Å; Y33-F114 HydrophobicContact CE1-CE1 3.88Å; Y33-F114 HydrophobicContact CE1-CG 4.29Å; Y33-F114 HydrophobicContact CE1-CZ 4.34Å; Y33-F114 HydrophobicContact CG-CD2 4.43Å; Y33-F114 HydrophobicContact CG-CG 4.32Å
34V84.4Confident84Confident2 Ų249.6 Ų49.61%0.01228%0.283CS..Hα-helixtrans-61.4-47.2179.1175.50000111.3W17 T30 M31 T36 L37 V38 I110W17-V34 HydrophobicContact CB-CG1 4.06Å; W17-V34 HydrophobicContact CD2-CG1 3.46Å; W17-V34 VanDerWaalsContact CD2-CG1 3.46Å; W17-V34 HydrophobicContact CE3-CG1 3.86Å; W17-V34 HydrophobicContact CG-CG1 3.52Å; T30-V34 PolarHBondContact O-N 2.94Å; M31-V34 PolarHBondContact O-N 3.46Å; M31-V34 HydrophobicContact SD-CB 3.78Å; M31-V34 HydrophobicContact SD-CG1 3.86Å; V34-T36 VanDerWaalsContact C-N 3.28Å; V34-T36 PolarHBondContact O-N 2.99Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-L37 VanDerWaalsContact O-N 3.11Å; V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CG2 3.41Å; V34-V38 PolarHBondContact O-N 2.96Å; V34-I110 HydrophobicContact CG2-CD1 4.16Å; V34-I110 HydrophobicContact CG2-CG2 4.1Å
35N84.9Confident85Confident75 Ų7551.3 Ų51.340%0.40127%0.271SS..Hα-helixtrans-56-44.6175.7-77.5-23.2000111.3M31 L37 V38 D39M31-N35 WeakPolarHBondContact CE-OD1 3.28Å; M31-N35 VanDerWaalsContact O-CB 3.26Å; M31-N35 WeakPolarHBondContact O-CB 3.43Å; M31-N35 PolarHBondContact O-N 2.92Å; M31-N35 PolarHBondContact O-ND2 3.45Å; N35-L37 VanDerWaalsContact C-N 3.34Å; N35-L37 PolarHBondContact O-N 3.09Å; N35-V38 PolarHBondContact O-N 2.86Å; N35-D39 WeakPolarHBondContact O-CB 3.33Å; N35-D39 PolarHBondContact O-N 2.99Å
36T85.6Confident85.9Confident15 Ų1554.1 Ų54.19%0.09227%0.269CS..Hα-helixtrans-63.7-38.7178.3-55.60000112.4I32 Y33 V34 L40 F114 R121I32-T36 PolarHBondContact O-N 3.32Å; I32-T36 PolarHBondContact O-OG1 3.46Å; Y33-T36 PolarHBondContact O-N 3.01Å; V34-T36 VanDerWaalsContact C-N 3.28Å; V34-T36 PolarHBondContact O-N 2.99Å; T36-L40 WeakPolarHBondContact O-CB 3.38Å; T36-L40 PolarHBondContact O-N 3.48Å; T36-F114 HydrophobicContact CG2-CD2 4.4Å; T36-F114 HydrophobicContact CG2-CE2 3.69Å; T36-R121 VanDerWaalsContact CG2-NH1 3.29Å
37L88.4Confident86.8Confident5 Ų552.8 Ų52.83%0.02626%0.262CS..Hα-helixtrans-68.7-41.4176.8-66.8173.1000111.8I4 L8 Y33 V34 N35 L40 G41 I110 I113 I117I4-L37 HydrophobicContact CG2-CD1 3.85Å; L8-L37 HydrophobicContact CD2-CB 4.1Å; L8-L37 HydrophobicContact CD2-CD2 3.93Å; Y33-L37 WeakPolarHBondContact O-CG 3.42Å; Y33-L37 PolarHBondContact O-N 2.92Å; V34-L37 PolarHBondContact O-N 3.36Å; V34-L37 VanDerWaalsContact O-N 3.11Å; N35-L37 VanDerWaalsContact C-N 3.34Å; N35-L37 PolarHBondContact O-N 3.09Å; L37-L40 PolarHBondContact O-N 3.34Å; L37-G41 PolarHBondContact O-N 2.84Å; L37-I110 HydrophobicContact CD1-CG2 4.35Å; L37-I113 HydrophobicContact CD1-CG2 4.01Å; L37-I113 HydrophobicContact CD2-CG2 4.29Å; L37-I117 HydrophobicContact CD2-CB 4.33Å
38V87Confident87.4Confident12 Ų1244.9 Ų44.97%0.07324%0.236CC..Hα-helixtrans-64.3-44.1176.3171.80000110.7K14 V34 N35 L40 G41 A42K14-V38 HydrophobicContact CG-CG1 3.91Å; V34-V38 HydrophobicContact CG1-CG2 4.2Å; V34-V38 WeakPolarHBondContact O-CG2 3.41Å; V34-V38 PolarHBondContact O-N 2.96Å; N35-V38 PolarHBondContact O-N 2.86Å; V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 3.03Å; V38-G41 PolarHBondContact O-N 3.02Å; V38-A42 WeakPolarHBondContact O-CB 3.1Å; V38-A42 PolarHBondContact O-N 3.47Å
39D87.2Confident88.1Confident75 Ų7544.2 Ų44.240%0.40122%0.224SC..Hα-helixtrans-62.1-41176.6-70.4-19.1000111.2N35 A42 T43N35-D39 WeakPolarHBondContact O-CB 3.33Å; N35-D39 PolarHBondContact O-N 2.99Å; D39-A42 PolarHBondContact O-N 3.41Å; D39-T43 PolarHBondContact O-N 3.25Å; D39-T43 PolarHBondContact O-OG1 3.49Å
40L91.2Very high88.5Confident5 Ų542.7 Ų42.73%0.02621%0.209CC..Hα-helixtrans-63.9-46177.2-171.8152.1000111.9L8 T36 L37 V38 A42 T43 F44 Y91 I117 R121 L124L8-L40 HydrophobicContact CD2-CD2 3.97Å; T36-L40 WeakPolarHBondContact O-CB 3.38Å; T36-L40 PolarHBondContact O-N 3.48Å; L37-L40 PolarHBondContact O-N 3.34Å; V38-L40 VanDerWaalsContact C-N 3.31Å; V38-L40 PolarHBondContact O-N 3.03Å; L40-A42 VanDerWaalsContact C-N 3.3Å; L40-A42 PolarHBondContact O-N 2.81Å; L40-T43 PolarHBondContact O-N 3.45Å; L40-F44 PolarHBondContact O-N 3.18Å; L40-Y91 HydrophobicContact CD2-CE2 3.5Å; L40-Y91 WeakPolarHBondContact CD2-OH 3.38Å; L40-I117 HydrophobicContact CD1-CG2 3.74Å; L40-I117 HydrophobicContact CD2-CG2 3.78Å; L40-I117 HydrophobicContact CG-CG2 4.43Å; L40-R121 HydrophobicContact CD1-CB 3.82Å; L40-R121 HydrophobicContact CD1-CG 4.45Å; L40-L124 HydrophobicContact CD2-CD1 3.86Å; L40-L124 HydrophobicContact CG-CD1 4.19Å
41G90.6Very high88.9Confident0 Ų041.5 Ų41.50%020%0.202CC..Hα-helixtrans-63.8-34.7175.100000113.1S7 L8 G10 L37 V38 F44 R45S7-G41 WeakPolarHBondContact O-CA 3.39Å; L8-G41 WeakPolarHBondContact O-CA 3.08Å; G10-G41 VanDerWaalsContact CA-O 3.29Å; G10-G41 WeakPolarHBondContact CA-O 3.2Å; L37-G41 PolarHBondContact O-N 2.84Å; V38-G41 PolarHBondContact O-N 3.02Å; G41-F44 PolarHBondContact O-N 3Å; G41-R45 PolarHBondContact O-N 3.45Å
42A90Very high89.3Confident38 Ų3844.7 Ų44.731%0.31422%0.216SC..Hα-helixtrans-66.4-40.9172.800000112.3V38 D39 L40 R45 R46V38-A42 WeakPolarHBondContact O-CB 3.1Å; V38-A42 PolarHBondContact O-N 3.47Å; D39-A42 PolarHBondContact O-N 3.41Å; L40-A42 VanDerWaalsContact C-N 3.3Å; L40-A42 PolarHBondContact O-N 2.81Å; A42-R45 PolarHBondContact O-N 2.97Å; A42-R46 WeakPolarHBondContact O-CB 3.41Å; A42-R46 PolarHBondContact O-N 3.3Å
43T92.2Very high89.5Confident13 Ų1344.5 Ų44.58%0.0822%0.216CC..Hα-helixtrans-61.7-46172.5-62.40000111D39 L40 R45 R46 L47 L124 N125D39-T43 PolarHBondContact O-N 3.25Å; D39-T43 PolarHBondContact O-OG1 3.49Å; L40-T43 PolarHBondContact O-N 3.45Å; T43-R45 PolarHBondContact O-N 2.97Å; T43-R46 PolarHBondContact O-N 3.42Å; T43-L47 WeakPolarHBondContact O-CB 3.08Å; T43-L47 PolarHBondContact O-N 3.04Å; T43-L124 HydrophobicContact CG2-CB 4.05Å; T43-N125 VanDerWaalsContact CG2-OD1 3.31Å; T43-N125 WeakPolarHBondContact CG2-OD1 3.46Å; T43-N125 PolarHBondContact OG1-OD1 3.42Å
44F93.3Very high89.6Confident9 Ų942.9 Ų42.94%0.03921%0.21CC..Hα-helixtrans-57.3-48.8177.4173.1-103.6000111.7L40 G41 L47 C48 L88 Y91 R92 L124L40-F44 PolarHBondContact O-N 3.18Å; G41-F44 PolarHBondContact O-N 3Å; F44-L47 WeakPolarHBondContact O-CB 3.36Å; F44-L47 PolarHBondContact O-N 3.28Å; F44-C48 PolarHBondContact O-N 3.32Å; F44-C48 PolarHBondContact O-SG 3.49Å; F44-L88 HydrophobicContact CD2-CD2 3.98Å; F44-L88 HydrophobicContact CE2-CB 4.42Å; F44-L88 HydrophobicContact CE2-CD2 3.76Å; F44-Y91 HydrophobicContact CB-CE1 3.99Å; F44-Y91 HydrophobicContact CD1-CD1 4.45Å; F44-Y91 AromaticContact CD1-CE1 3.92Å; F44-Y91 HydrophobicContact CD1-CE1 3.92Å; F44-Y91 AromaticContact CD2-CD1 3.34Å; F44-Y91 HydrophobicContact CD2-CD1 3.34Å; F44-Y91 AromaticContact CD2-CE1 3.49Å; F44-Y91 HydrophobicContact CD2-CE1 3.49Å; F44-Y91 VanDerWaalsContact CD2-CE1 3.49Å; F44-Y91 HydrophobicContact CD2-CG 4.36Å; F44-Y91 HydrophobicContact CE1-CE1 4.28Å; F44-Y91 AromaticContact CE2-CD1 3.42Å; F44-Y91 HydrophobicContact CE2-CD1 3.42Å; F44-Y91 VanDerWaalsContact CE2-CD1 3.42Å; F44-Y91 AromaticContact CE2-CE1 3.88Å; F44-Y91 HydrophobicContact CE2-CE1 3.88Å; F44-Y91 AromaticContact CG-CD1 3.89Å; F44-Y91 HydrophobicContact CG-CD1 3.89Å; F44-Y91 AromaticContact CG-CE1 3.51Å; F44-Y91 HydrophobicContact CG-CE1 3.51Å; F44-Y91 HydrophobicContact CZ-CD1 4.05Å; F44-Y91 HydrophobicContact CZ-CE1 4.26Å; F44-R92 HydrophobicContact CZ-CG 4.15Å; F44-L124 HydrophobicContact CB-CD1 4.22Å; F44-L124 HydrophobicContact CD2-CD2 4.48Å
45R91.5Very high89.7Confident99 Ų9946.6 Ų46.637%0.37422%0.224SC..Hα-helixtrans-62.9-44.1177.6174168.3-173.4148.39.8112.8G10 G41 A42 T43 L47 C48 E49G10-R45 WeakPolarHBondContact O-CD 3.39Å; G10-R45 PolarHBondContact O-NH1 2.89Å; G41-R45 PolarHBondContact O-N 3.45Å; A42-R45 PolarHBondContact O-N 2.97Å; T43-R45 PolarHBondContact O-N 2.97Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.85Å; R45-C48 PolarHBondContact O-N 3.11Å; R45-E49 HydrophobicContact CG-CG 4.22Å; R45-E49 VanDerWaalsContact CG-OE1 3.28Å; R45-E49 WeakPolarHBondContact CG-OE1 3.29Å; R45-E49 IonicContact CZ-OE1 3.98Å; R45-E49 IonicContact NE-OE1 3.96Å; R45-E49 PolarHBondContact NE-OE1 2.97Å; R45-E49 IonicContact NH2-OE1 3.73Å; R45-E49 WeakPolarHBondContact O-CB 3.48Å; R45-E49 WeakPolarHBondContact O-CG 3.49Å; R45-E49 PolarHBondContact O-N 3.25Å
46R91.4Very high89.7Confident139 Ų13945.7 Ų45.753%0.52522%0.223SC..Hα-helixtrans-57.1-44.1175.5-176.2-173.7-59.9158.73.3111.2A42 T43 E49 Q50A42-R46 WeakPolarHBondContact O-CB 3.41Å; A42-R46 PolarHBondContact O-N 3.3Å; T43-R46 PolarHBondContact O-N 3.42Å; R46-E49 PolarHBondContact O-N 3.49Å; R46-Q50 HydrophobicContact CG-CG 4.42Å; R46-Q50 WeakPolarHBondContact O-CB 3.25Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.39Å; R46-Q50 PolarHBondContact O-N 2.74Å
47L92.9Very high89.6Confident1 Ų147 Ų471%0.00524%0.235CC..Hα-helixtrans-62.6-45.9177.6177.658.2000111.4T43 F44 R45 Q50 M51 L88 L124 V127 C131T43-L47 WeakPolarHBondContact O-CB 3.08Å; T43-L47 PolarHBondContact O-N 3.04Å; F44-L47 WeakPolarHBondContact O-CB 3.36Å; F44-L47 PolarHBondContact O-N 3.28Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.85Å; L47-Q50 PolarHBondContact O-N 3.4Å; L47-M51 HydrophobicContact CD1-CG 4.34Å; L47-M51 HydrophobicContact CD1-SD 4.02Å; L47-M51 HydrophobicContact CG-SD 4.17Å; L47-M51 VanDerWaalsContact O-CG 3.28Å; L47-M51 WeakPolarHBondContact O-CG 3.41Å; L47-M51 PolarHBondContact O-N 2.91Å; L47-L88 HydrophobicContact CD2-CD2 3.65Å; L47-L88 HydrophobicContact CG-CD2 4.23Å; L47-L124 HydrophobicContact CD2-CD2 4.22Å; L47-V127 HydrophobicContact CD1-CG1 4.01Å; L47-V127 HydrophobicContact CD2-CB 4.27Å; L47-V127 HydrophobicContact CD2-CG1 3.69Å; L47-C131 HydrophobicContact CD1-CB 3.97Å; L47-C131 VanDerWaalsContact CD1-SG 3.59Å
48C92.4Very high89.1Confident29 Ų2947.3 Ų47.320%0.19624%0.238CC..Hα-helixtrans-60.9-44.5174.8-67.80000112.5F44 R45 M51 E52F44-C48 PolarHBondContact O-N 3.32Å; F44-C48 PolarHBondContact O-SG 3.49Å; R45-C48 PolarHBondContact O-N 3.11Å; C48-M51 PolarHBondContact O-N 3.24Å; C48-E52 WeakPolarHBondContact O-CB 3.26Å; C48-E52 PolarHBondContact O-N 2.98Å
49E91.4Very high88.6Confident88 Ų8852.5 Ų52.541%0.41126%0.263SS..Hα-helixtrans-63.7-41.2177.3-72.8170.5177.800111.6R45 R46 M51 E52 N53R45-E49 HydrophobicContact CG-CG 4.22Å; R45-E49 VanDerWaalsContact CG-OE1 3.28Å; R45-E49 WeakPolarHBondContact CG-OE1 3.29Å; R45-E49 IonicContact CZ-OE1 3.98Å; R45-E49 IonicContact NE-OE1 3.96Å; R45-E49 PolarHBondContact NE-OE1 2.97Å; R45-E49 IonicContact NH2-OE1 3.73Å; R45-E49 WeakPolarHBondContact O-CB 3.48Å; R45-E49 WeakPolarHBondContact O-CG 3.49Å; R45-E49 PolarHBondContact O-N 3.25Å; R46-E49 PolarHBondContact O-N 3.49Å; E49-M51 PolarHBondContact O-N 3.3Å; E49-E52 PolarHBondContact O-N 3.3Å; E49-N53 VanDerWaalsContact O-CB 3.26Å; E49-N53 WeakPolarHBondContact O-CB 3.38Å; E49-N53 PolarHBondContact O-N 2.93Å; E49-N53 PolarHBondContact O-ND2 2.91Å; E49-N53 VanDerWaalsContact O-ND2 3.17Å
50Q89.7Confident88Confident42 Ų4255.1 Ų55.120%0.19627%0.273CS..Hα-helixtrans-59.6-45.3175.1-77.5176.5-54.100112R46 L47 Y54 S128 I135R46-Q50 HydrophobicContact CG-CG 4.42Å; R46-Q50 WeakPolarHBondContact O-CB 3.25Å; R46-Q50 VanDerWaalsContact O-CG 3.24Å; R46-Q50 WeakPolarHBondContact O-CG 3.39Å; R46-Q50 PolarHBondContact O-N 2.74Å; L47-Q50 PolarHBondContact O-N 3.4Å; Q50-Y54 PolarHBondContact O-N 3.33Å; Q50-S128 PolarHBondContact OE1-OG 3.42Å; Q50-I135 HydrophobicContact CB-CD1 4.42Å
51M90.5Very high86.9Confident5 Ų560.3 Ų60.33%0.02530%0.295CS..Hα-helixtrans-68.3-41.3179.8-67.2175.16900111.9L47 C48 E49 Y54 R55 L80 L83 E84 L88L47-M51 HydrophobicContact CD1-CG 4.34Å; L47-M51 HydrophobicContact CD1-SD 4.02Å; L47-M51 HydrophobicContact CG-SD 4.17Å; L47-M51 VanDerWaalsContact O-CG 3.28Å; L47-M51 WeakPolarHBondContact O-CG 3.41Å; L47-M51 PolarHBondContact O-N 2.91Å; C48-M51 PolarHBondContact O-N 3.24Å; E49-M51 PolarHBondContact O-N 3.3Å; M51-Y54 PolarHBondContact O-N 3.25Å; M51-R55 WeakPolarHBondContact O-CG 3.31Å; M51-R55 PolarHBondContact O-N 3.04Å; M51-R55 VanDerWaalsContact O-N 3.08Å; M51-L80 HydrophobicContact CE-CB 3.95Å; M51-L80 HydrophobicContact CE-CD2 4.23Å; M51-L80 WeakPolarHBondContact CE-O 3.31Å; M51-L80 HydrophobicContact CG-CD2 4.08Å; M51-L83 HydrophobicContact CE-CB 4.34Å; M51-E84 HydrophobicContact CE-CB 4.13Å; M51-L88 HydrophobicContact CE-CD1 4.2Å; M51-L88 HydrophobicContact SD-CD1 3.75Å
52E89.8Confident85.7Confident103 Ų10364 Ų6448%0.48132%0.317SS..Hα-helixtrans-69.3-43.4179.6-167.161.5-167.300111.7C48 E49 Y54 R55 S56C48-E52 WeakPolarHBondContact O-CB 3.26Å; C48-E52 PolarHBondContact O-N 2.98Å; E49-E52 PolarHBondContact O-N 3.3Å; E52-Y54 VanDerWaalsContact C-N 3.26Å; E52-Y54 PolarHBondContact O-N 2.84Å; E52-R55 WeakPolarHBondContact O-CA 3.43Å; E52-R55 WeakPolarHBondContact O-CB 3.42Å; E52-R55 PolarHBondContact O-N 3.08Å; E52-S56 PolarHBondContact O-N 3.43Å; E52-S56 PolarHBondContact O-OG 2.89Å; E52-S56 VanDerWaalsContact O-OG 3.11Å
53N89.2Confident84.5Confident112 Ų11268.5 Ų68.560%0.59934%0.336SS*.Hα-helixtrans-57.4-41175.5-71.2-18.9000111.7E49 A57E49-N53 VanDerWaalsContact O-CB 3.26Å; E49-N53 WeakPolarHBondContact O-CB 3.38Å; E49-N53 PolarHBondContact O-N 2.93Å; E49-N53 PolarHBondContact O-ND2 2.91Å; E49-N53 VanDerWaalsContact O-ND2 3.17Å; N53-A57 VanDerWaalsContact O-CB 3.31Å; N53-A57 WeakPolarHBondContact O-CB 3.29Å; N53-A57 PolarHBondContact O-N 2.91Å
54Y87.8Confident83Confident34 Ų3473.3 Ų73.313%0.13336%0.357CS..Hα-helixtrans-65.1-41.2174.7173.6-94.9000112.2Q50 M51 E52 S58 S73 L76 N77 L80 I135Q50-Y54 PolarHBondContact O-N 3.33Å; M51-Y54 PolarHBondContact O-N 3.25Å; E52-Y54 VanDerWaalsContact C-N 3.26Å; E52-Y54 PolarHBondContact O-N 2.84Å; Y54-S58 VanDerWaalsContact O-CB 3.23Å; Y54-S58 WeakPolarHBondContact O-CB 3.28Å; Y54-S58 PolarHBondContact O-N 3.39Å; Y54-S58 PolarHBondContact O-OG 2.93Å; Y54-S73 PolarHBondContact OH-N 3.35Å; Y54-L76 HydrophobicContact CD2-CD2 4.05Å; Y54-L76 HydrophobicContact CE1-CD2 4.12Å; Y54-L76 HydrophobicContact CE1-CG 4.1Å; Y54-L76 HydrophobicContact CE2-CD2 3.4Å; Y54-L76 VanDerWaalsContact CE2-CD2 3.4Å; Y54-L76 HydrophobicContact CE2-CG 4.28Å; Y54-L76 VanDerWaalsContact CZ-CD2 3.45Å; Y54-N77 WeakPolarHBondContact CE1-OD1 3.49Å; Y54-L80 HydrophobicContact CD1-CD1 3.41Å; Y54-L80 VanDerWaalsContact CD1-CD1 3.41Å; Y54-L80 HydrophobicContact CE1-CD1 3.86Å; Y54-L80 HydrophobicContact CG-CD1 4.12Å; Y54-I135 HydrophobicContact CD2-CG2 4.39Å
55R86.8Confident81Confident79 Ų7981.2 Ų81.230%0.29839%0.394SS..Hα-helixtrans-64.8-44.9177.1-75.4177.2175.7169.91112.1M51 E52 S58 M59 E84M51-R55 WeakPolarHBondContact O-CG 3.31Å; M51-R55 PolarHBondContact O-N 3.04Å; M51-R55 VanDerWaalsContact O-N 3.08Å; E52-R55 WeakPolarHBondContact O-CA 3.43Å; E52-R55 WeakPolarHBondContact O-CB 3.42Å; E52-R55 PolarHBondContact O-N 3.08Å; R55-S58 WeakPolarHBondContact O-CB 3.5Å; R55-S58 PolarHBondContact O-N 3.2Å; R55-M59 PolarHBondContact O-N 2.92Å; R55-E84 IonicContact CZ-OE2 3.48Å; R55-E84 IonicContact NH1-OE2 2.7Å; R55-E84 PolarHBondContact NH1-OE2 2.83Å; R55-E84 IonicContact NH2-OE2 2.74Å; R55-E84 PolarHBondContact NH2-OE2 3.34Å
56S85Confident78.8Confident56 Ų5684.3 Ų84.339%0.39242%0.418SS..Hα-helixtrans-61.4-49.1176.3-530000111.2E52 S58 M59 E60E52-S56 PolarHBondContact O-N 3.43Å; E52-S56 PolarHBondContact O-OG 2.89Å; E52-S56 VanDerWaalsContact O-OG 3.11Å; S56-S58 VanDerWaalsContact C-N 3.26Å; S56-S58 PolarHBondContact O-N 3.49Å; S56-M59 PolarHBondContact O-N 3.01Å; S56-M59 VanDerWaalsContact O-N 3.11Å; S56-E60 PolarHBondContact O-N 3.28Å
57A83.2Confident76.4Confident42 Ų4280.7 Ų80.735%0.34741%0.414SS..Hα-helixtrans-62.4-33.1176.700000112.8N53 K61N53-A57 VanDerWaalsContact O-CB 3.31Å; N53-A57 WeakPolarHBondContact O-CB 3.29Å; N53-A57 PolarHBondContact O-N 2.91Å; A57-K61 WeakPolarHBondContact O-CG 3.23Å; A57-K61 PolarHBondContact O-N 3.49Å
58S78.3Confident74.1Confident12 Ų1289.4 Ų89.48%0.08446%0.459CS..Hα-helixtrans-69.1-39.6174.2-67.80000112.1Y54 R55 S56 K61 V62Y54-S58 VanDerWaalsContact O-CB 3.23Å; Y54-S58 WeakPolarHBondContact O-CB 3.28Å; Y54-S58 PolarHBondContact O-N 3.39Å; Y54-S58 PolarHBondContact O-OG 2.93Å; R55-S58 WeakPolarHBondContact O-CB 3.5Å; R55-S58 PolarHBondContact O-N 3.2Å; S56-S58 VanDerWaalsContact C-N 3.26Å; S56-S58 PolarHBondContact O-N 3.49Å; S58-K61 PolarHBondContact O-N 2.9Å; S58-V62 WeakPolarHBondContact O-CG2 3.4Å; S58-V62 PolarHBondContact O-N 2.72Å
59M76Confident71.8Confident121 Ų12190.3 Ų90.360%0.59647%0.473SS*.Hα-helixtrans-68.3-41.6178.5-170.368.9110.700111.7R55 S56 K61 V62 L63R55-M59 PolarHBondContact O-N 2.92Å; S56-M59 PolarHBondContact O-N 3.01Å; S56-M59 VanDerWaalsContact O-N 3.11Å; M59-K61 VanDerWaalsContact C-N 3.29Å; M59-K61 PolarHBondContact O-N 2.95Å; M59-V62 PolarHBondContact O-N 3.31Å; M59-V62 VanDerWaalsContact O-N 3.12Å; M59-L63 HydrophobicContact CG-CD1 4.33Å; M59-L63 WeakPolarHBondContact O-CG 3.26Å; M59-L63 PolarHBondContact O-N 3.42Å; M59-L63 VanDerWaalsContact O-N 3.17Å
60E73.8Confident70.3Confident131 Ų13191.9 Ų91.961%0.61248%0.48SS*.Hα-helixtrans-56.5-43.9174.5-73.8175.4176.100111.3S56 V62 L63 E64S56-E60 PolarHBondContact O-N 3.28Å; E60-V62 VanDerWaalsContact C-N 3.31Å; E60-V62 PolarHBondContact O-N 3.11Å; E60-L63 PolarHBondContact O-N 3.29Å; E60-E64 PolarHBondContact O-N 3.42Å
61K68.7Low69.5Low114 Ų11496.2 Ų96.250%0.49650%0.499SS..Hα-helixtrans-65.6-29.1176.8-72.3178.1-180-176.60114.5A57 S58 M59A57-K61 WeakPolarHBondContact O-CG 3.23Å; A57-K61 PolarHBondContact O-N 3.49Å; S58-K61 PolarHBondContact O-N 2.9Å; M59-K61 VanDerWaalsContact C-N 3.29Å; M59-K61 PolarHBondContact O-N 2.95Å
62V65.5Low69Low76 Ų7697.9 Ų97.946%0.46151%0.51SS..Hα-helixtrans-75.1-35.1178171.20000110.9S58 M59 E60 E64 P72S58-V62 WeakPolarHBondContact O-CG2 3.4Å; S58-V62 PolarHBondContact O-N 2.72Å; M59-V62 PolarHBondContact O-N 3.31Å; M59-V62 VanDerWaalsContact O-N 3.12Å; E60-V62 VanDerWaalsContact C-N 3.31Å; E60-V62 PolarHBondContact O-N 3.11Å; V62-E64 VanDerWaalsContact C-N 3.33Å; V62-P72 HydrophobicContact CG2-CG 3.78Å
63L65.3Low68.9Low133 Ų13393.1 Ų93.170%0.69649%0.488SS*.Hα-helixtrans-74.5-24179.8-68168.1000112.8M59 E60 E65M59-L63 HydrophobicContact CG-CD1 4.33Å; M59-L63 WeakPolarHBondContact O-CG 3.26Å; M59-L63 PolarHBondContact O-N 3.42Å; M59-L63 VanDerWaalsContact O-N 3.17Å; E60-L63 PolarHBondContact O-N 3.29Å; L63-E65 PolarHBondContact O-N 3.24Å
64E61.2Low68.9Low114 Ų11489.7 Ų89.753%0.53348%0.475SS..  trans-76.466.3169.5-69.4-174.2-167.600111.3E60 V62 N66 S67E60-E64 PolarHBondContact O-N 3.42Å; V62-E64 VanDerWaalsContact C-N 3.33Å; E64-N66 PolarHBondContact O-N 3.25Å; E64-S67 PolarHBondContact O-N 2.88Å; E64-S67 PolarHBondContact OE2-OG 3.46Å
65E50.5Low69.2Low175 Ų17588.2 Ų88.282%0.81847%0.469SS*.THydrogen-bonded Turntrans-58.6-8.6-175.7-69.7-176.2153.900115L63L63-E65 PolarHBondContact O-N 3.24Å
66N46.3Very low69.5Low164 Ų16484.7 Ų84.788%0.87746%0.456SS*.THydrogen-bonded Turntrans-122.34.4-174.7-69.5-45.2000115.1E64E64-N66 PolarHBondContact O-N 3.25Å
67S39.8Very low69.8Low63 Ų6384.9 Ų84.944%0.44145%0.453SS..SBendtrans-89.4141173.8-60.90000109E64 G69E64-S67 PolarHBondContact O-N 2.88Å; E64-S67 PolarHBondContact OE2-OG 3.46Å; S67-G69 PolarHBondContact O-N 3.42Å
68I44.8Very low70.3Confident184 Ų18483.5 Ų83.594%0.94444%0.442SS*.  trans-66.925.8168.9-57.7160.4000110.5
69G44.8Very low71.1Confident48 Ų4882.9 Ų82.950%0.49544%0.438SS..PPolyproline II helixtrans-73.5137.9-17700000111.3S67 K71S67-G69 PolarHBondContact O-N 3.42Å; G69-K71 PolarHBondContact O-N 3.12Å
70Q59.2Low71.9Confident121 Ų12177.2 Ų77.257%0.56541%0.409SS*.PPolyproline II helixtrans-59.3121.7178.1-79.3-175.312.400111.8R140Q70-R140 VanDerWaalsContact CG-NH1 3.32Å
71K72.4Confident72.8Confident134 Ų13472.4 Ų72.458%0.58340%0.395SS*.PPolyproline II helixtrans-55151.7172.8-74.5-177.1178.5179.30111.1G69 R140G69-K71 PolarHBondContact O-N 3.12Å; K71-R140 PolarHBondContact O-NH2 3.03Å
72P79.9Confident74Confident40 Ų4069.9 Ų69.926%0.2639%0.385SS..PPolyproline II helixtrans-62.3142176.927-35000111.1V62 A74V62-P72 HydrophobicContact CG2-CG 3.78Å; P72-A74 PolarHBondContact O-N 2.89Å
73S88.6Confident75.4Confident3 Ų366.3 Ų66.32%0.02136%0.364CS..PPolyproline II helixtrans-68.7124.1-175.7178.10000111.5Y54 L76 N77 E192Y54-S73 PolarHBondContact OH-N 3.35Å; S73-L76 PolarHBondContact OG-N 3.36Å; S73-N77 WeakPolarHBondContact O-CB 3.28Å; S73-N77 PolarHBondContact O-N 3.1Å; S73-N77 PolarHBondContact O-ND2 2.96Å; S73-N77 VanDerWaalsContact O-ND2 3.08Å; S73-E192 WeakPolarHBondContact CA-OE1 3.43Å; S73-E192 WeakPolarHBondContact CA-OE2 3.4Å; S73-E192 WeakPolarHBondContact CB-OE1 3.44Å; S73-E192 VanDerWaalsContact OG-CD 3.27Å; S73-E192 PolarHBondContact OG-OE1 3.05Å; S73-E192 PolarHBondContact OG-OE2 3.03Å; S73-E192 VanDerWaalsContact OG-OE2 3.1Å
74A90.1Very high76.7Confident40 Ų4062.7 Ų62.733%0.33134%0.343SS..Hα-helixtrans-68.6-40.6179.100000110.8P72 A78 V173 E192P72-A74 PolarHBondContact O-N 2.89Å; A74-A78 WeakPolarHBondContact O-CB 3.45Å; A74-A78 PolarHBondContact O-N 3.42Å; A74-V173 HydrophobicContact CB-CG1 3.96Å; A74-E192 PolarHBondContact N-OE2 3.05Å
75Y93.6Very high78.3Confident3 Ų359.9 Ų59.91%0.01234%0.34CS..Hα-helixtrans-63.8-48.1177.1-72.2-95.3000111.6A78 V79 C170 V173 L174 Q177 E192Y75-A78 WeakPolarHBondContact O-CB 3.48Å; Y75-A78 PolarHBondContact O-N 3.05Å; Y75-V79 WeakPolarHBondContact O-CG2 3.11Å; Y75-V79 PolarHBondContact O-N 3.32Å; Y75-C170 HydrophobicContact CD1-CB 4.2Å; Y75-C170 WeakPolarHBondContact CE1-O 3.31Å; Y75-V173 HydrophobicContact CD1-CB 4.11Å; Y75-V173 HydrophobicContact CD1-CG1 4.13Å; Y75-V173 HydrophobicContact CD2-CG1 3.91Å; Y75-V173 HydrophobicContact CE1-CB 4.07Å; Y75-V173 HydrophobicContact CE1-CG1 4.08Å; Y75-V173 HydrophobicContact CE2-CG1 3.86Å; Y75-V173 HydrophobicContact CG-CB 4.46Å; Y75-V173 HydrophobicContact CG-CG1 4.05Å; Y75-L174 HydrophobicContact CE1-CB 4.16Å; Y75-L174 VanDerWaalsContact OH-CA 3.29Å; Y75-L174 WeakPolarHBondContact OH-CA 3.43Å; Y75-L174 WeakPolarHBondContact OH-CB 3.49Å; Y75-L174 WeakPolarHBondContact OH-CD1 3.22Å; Y75-Q177 PolarHBondContact OH-OE1 3.31Å; Y75-E192 HydrophobicContact CD2-CB 4.42Å; Y75-E192 HydrophobicContact CE2-CB 4.34Å
76L92.7Very high80.3Confident4 Ų453.3 Ų53.32%0.02131%0.311CS..Hα-helixtrans-65.3-44-179-173.452.2000111.3Y54 S73 A78 V79 L80 L134 I135 V144Y54-L76 HydrophobicContact CD2-CD2 4.05Å; Y54-L76 HydrophobicContact CE1-CD2 4.12Å; Y54-L76 HydrophobicContact CE1-CG 4.1Å; Y54-L76 HydrophobicContact CE2-CD2 3.4Å; Y54-L76 VanDerWaalsContact CE2-CD2 3.4Å; Y54-L76 HydrophobicContact CE2-CG 4.28Å; Y54-L76 VanDerWaalsContact CZ-CD2 3.45Å; S73-L76 PolarHBondContact OG-N 3.36Å; L76-A78 VanDerWaalsContact C-N 3.26Å; L76-A78 PolarHBondContact O-N 3.49Å; L76-V79 PolarHBondContact O-N 3.03Å; L76-L80 HydrophobicContact CD1-CD1 4.37Å; L76-L80 HydrophobicContact CD1-CD2 4.4Å; L76-L80 HydrophobicContact CD1-CG 4.12Å; L76-L80 HydrophobicContact CG-CD1 4.21Å; L76-L80 HydrophobicContact CG-CG 4.36Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.29Å; L76-L80 PolarHBondContact O-N 2.48Å; L76-L134 HydrophobicContact CD1-CB 3.82Å; L76-L134 HydrophobicContact CD1-CD1 4.13Å; L76-L134 HydrophobicContact CD1-CG 4.43Å; L76-I135 HydrophobicContact CD2-CG1 4.44Å; L76-V144 HydrophobicContact CB-CG2 4.31Å
77N92Very high82.5Confident60 Ų6045.6 Ų45.632%0.32127%0.27SS..Hα-helixtrans-57.7-40.5174.9-82.1-36.2000112.4Y54 S73 L80 G81Y54-N77 WeakPolarHBondContact CE1-OD1 3.49Å; S73-N77 WeakPolarHBondContact O-CB 3.28Å; S73-N77 PolarHBondContact O-N 3.1Å; S73-N77 PolarHBondContact O-ND2 2.96Å; S73-N77 VanDerWaalsContact O-ND2 3.08Å; N77-L80 PolarHBondContact O-N 3.36Å; N77-G81 PolarHBondContact O-N 3.01Å
78A93.1Very high85.1Confident13 Ų1342.8 Ų42.811%0.10725%0.25CC..Hα-helixtrans-65.1-43.217800000112A74 Y75 L76 G81 E82 R169 V173A74-A78 WeakPolarHBondContact O-CB 3.45Å; A74-A78 PolarHBondContact O-N 3.42Å; Y75-A78 WeakPolarHBondContact O-CB 3.48Å; Y75-A78 PolarHBondContact O-N 3.05Å; L76-A78 VanDerWaalsContact C-N 3.26Å; L76-A78 PolarHBondContact O-N 3.49Å; A78-G81 PolarHBondContact O-N 3.42Å; A78-E82 PolarHBondContact O-N 3.25Å; A78-R169 HydrophobicContact CB-CG 3.88Å; A78-R169 WeakPolarHBondContact O-CG 3.27Å; A78-V173 HydrophobicContact CB-CG2 3.45Å; A78-V173 VanDerWaalsContact CB-CG2 3.45Å
79V94.4Very high87.4Confident0 Ų037.7 Ų37.70%022%0.224CC..Hα-helixtrans-62.8-47.9175.4174.20000111.3Y75 L76 G81 E82 L83 M130 L134 V144 V148 L166 C170Y75-V79 WeakPolarHBondContact O-CG2 3.11Å; Y75-V79 PolarHBondContact O-N 3.32Å; L76-V79 PolarHBondContact O-N 3.03Å; V79-G81 VanDerWaalsContact C-N 3.33Å; V79-G81 PolarHBondContact O-N 3.17Å; V79-E82 PolarHBondContact O-N 2.59Å; V79-L83 HydrophobicContact CG1-CD1 4.03Å; V79-L83 HydrophobicContact CG1-CG 4.4Å; V79-L83 WeakPolarHBondContact O-CB 3.45Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.67Å; V79-M130 HydrophobicContact CG1-CE 4.47Å; V79-L134 HydrophobicContact CG1-CD1 4.03Å; V79-V144 HydrophobicContact CG2-CG1 3.93Å; V79-V148 HydrophobicContact CG1-CG2 4.21Å; V79-V148 HydrophobicContact CG2-CG2 3.95Å; V79-L166 HydrophobicContact CG1-CD2 4.45Å; V79-C170 WeakPolarHBondContact CG2-SG 3.17Å
80L93.4Very high89.7Confident1 Ų139.2 Ų39.21%0.00522%0.221CC..Hα-helixtrans-65.1-38-179.3-65.4-174.5000111.8M51 Y54 L76 N77 L83 E84M51-L80 HydrophobicContact CE-CB 3.95Å; M51-L80 HydrophobicContact CE-CD2 4.23Å; M51-L80 WeakPolarHBondContact CE-O 3.31Å; M51-L80 HydrophobicContact CG-CD2 4.08Å; Y54-L80 HydrophobicContact CD1-CD1 3.41Å; Y54-L80 VanDerWaalsContact CD1-CD1 3.41Å; Y54-L80 HydrophobicContact CE1-CD1 3.86Å; Y54-L80 HydrophobicContact CG-CD1 4.12Å; L76-L80 HydrophobicContact CD1-CD1 4.37Å; L76-L80 HydrophobicContact CD1-CD2 4.4Å; L76-L80 HydrophobicContact CD1-CG 4.12Å; L76-L80 HydrophobicContact CG-CD1 4.21Å; L76-L80 HydrophobicContact CG-CG 4.36Å; L76-L80 VanDerWaalsContact O-CG 3.3Å; L76-L80 WeakPolarHBondContact O-CG 3.29Å; L76-L80 PolarHBondContact O-N 2.48Å; N77-L80 PolarHBondContact O-N 3.36Å; L80-L83 HydrophobicContact CD2-CD1 4.28Å; L80-E84 PolarHBondContact O-N 3.17Å; L80-E84 VanDerWaalsContact O-N 3.09Å
81G92.9Very high91.4Very high31 Ų3133.4 Ų33.432%0.3219%0.194SC..Hα-helixtrans-61.6-44.3173.100000112.5N77 A78 V79 E84 A85N77-G81 PolarHBondContact O-N 3.01Å; A78-G81 PolarHBondContact O-N 3.42Å; V79-G81 VanDerWaalsContact C-N 3.33Å; V79-G81 PolarHBondContact O-N 3.17Å; G81-E84 PolarHBondContact O-N 2.97Å; G81-A85 WeakPolarHBondContact O-CB 3.5Å; G81-A85 PolarHBondContact O-N 2.92Å
82E94.1Very high92.4Very high61 Ų6131.1 Ų31.129%0.28518%0.182SC..Hα-helixtrans-67.6-40.6178.7-168.863.8-15200112.2A78 V79 E84 A85 T86 L166 R169A78-E82 PolarHBondContact O-N 3.25Å; V79-E82 PolarHBondContact O-N 2.59Å; E82-E84 VanDerWaalsContact C-N 3.29Å; E82-E84 PolarHBondContact O-N 3.11Å; E82-A85 PolarHBondContact O-N 3.05Å; E82-T86 HydrophobicContact CG-CG2 4.38Å; E82-T86 WeakPolarHBondContact O-CB 3.34Å; E82-T86 WeakPolarHBondContact O-CG2 3.47Å; E82-T86 PolarHBondContact O-N 3.41Å; E82-T86 PolarHBondContact O-OG1 3.41Å; E82-T86 VanDerWaalsContact OE1-CG2 3.26Å; E82-T86 WeakPolarHBondContact OE1-CG2 3.31Å; E82-L166 HydrophobicContact CB-CD2 3.74Å; E82-L166 HydrophobicContact CG-CD2 3.67Å; E82-R169 HydrophobicContact CB-CB 4.38Å; E82-R169 HydrophobicContact CB-CG 4.12Å; E82-R169 HydrophobicContact CG-CB 4.37Å
83L94.7Very high93Very high1 Ų132.4 Ų32.41%0.00519%0.186CC..Hα-helixtrans-60.9-38.2174.5-77.5174.1000112.6M51 V79 L80 V87 L88 V127 M130 L166M51-L83 HydrophobicContact CE-CB 4.34Å; V79-L83 HydrophobicContact CG1-CD1 4.03Å; V79-L83 HydrophobicContact CG1-CG 4.4Å; V79-L83 WeakPolarHBondContact O-CB 3.45Å; V79-L83 WeakPolarHBondContact O-CG 3.49Å; V79-L83 PolarHBondContact O-N 2.67Å; L80-L83 HydrophobicContact CD2-CD1 4.28Å; L83-V87 HydrophobicContact CD2-CG2 4.09Å; L83-V87 PolarHBondContact O-N 2.94Å; L83-L88 PolarHBondContact O-N 3.45Å; L83-L88 VanDerWaalsContact O-N 3.1Å; L83-V127 HydrophobicContact CD1-CG1 3.93Å; L83-V127 HydrophobicContact CD2-CG1 3.7Å; L83-V127 HydrophobicContact CD2-CG2 4.11Å; L83-V127 HydrophobicContact CG-CG1 4.38Å; L83-M130 HydrophobicContact CD1-CE 3.75Å; L83-M130 HydrophobicContact CD2-CE 4.16Å; L83-M130 HydrophobicContact CG-CE 4.42Å; L83-L166 HydrophobicContact CD2-CD1 3.66Å; L83-L166 HydrophobicContact CD2-CD2 3.92Å; L83-L166 HydrophobicContact CD2-CG 4.38Å; L83-L166 HydrophobicContact CG-CD1 4.17Å; L83-L166 HydrophobicContact CG-CD2 3.86Å
84E93.3Very high93.2Very high57 Ų5733 Ų3327%0.26619%0.192SC..Iπ-helixtrans-68-44.9175.9-177.2164.7-15300111.7M51 R55 L80 G81 E82 T86 L88 L89 R92M51-E84 HydrophobicContact CE-CB 4.13Å; R55-E84 IonicContact CZ-OE2 3.48Å; R55-E84 IonicContact NH1-OE2 2.7Å; R55-E84 PolarHBondContact NH1-OE2 2.83Å; R55-E84 IonicContact NH2-OE2 2.74Å; R55-E84 PolarHBondContact NH2-OE2 3.34Å; L80-E84 PolarHBondContact O-N 3.17Å; L80-E84 VanDerWaalsContact O-N 3.09Å; G81-E84 PolarHBondContact O-N 2.97Å; E82-E84 VanDerWaalsContact C-N 3.29Å; E82-E84 PolarHBondContact O-N 3.11Å; E84-T86 VanDerWaalsContact C-N 3.33Å; E84-T86 PolarHBondContact O-N 3.4Å; E84-L88 HydrophobicContact CB-CD1 4.34Å; E84-L88 HydrophobicContact CG-CD1 4.39Å; E84-L89 WeakPolarHBondContact O-CB 3.23Å; E84-L89 PolarHBondContact O-N 3.21Å; E84-R92 IonicContact OE1-NH1 3.43Å; E84-R92 PolarHBondContact OE1-NH1 3.01Å
85A93Very high93.2Very high55 Ų5531.5 Ų31.546%0.45518%0.178SC..Iπ-helixtrans-69.5-28.3-178.300000113.7G81 E82 L89G81-A85 WeakPolarHBondContact O-CB 3.5Å; G81-A85 PolarHBondContact O-N 2.92Å; E82-A85 PolarHBondContact O-N 3.05Å; A85-L89 WeakPolarHBondContact O-CB 3.28Å; A85-L89 WeakPolarHBondContact O-CD2 3.35Å
86T92.9Very high93.1Very high36 Ų3635.9 Ų35.922%0.22120%0.201CC..Iπ-helixtrans-100.8-77.3-178.957.20000110.8E82 E84 D90E82-T86 HydrophobicContact CG-CG2 4.38Å; E82-T86 WeakPolarHBondContact O-CB 3.34Å; E82-T86 WeakPolarHBondContact O-CG2 3.47Å; E82-T86 PolarHBondContact O-N 3.41Å; E82-T86 PolarHBondContact O-OG1 3.41Å; E82-T86 VanDerWaalsContact OE1-CG2 3.26Å; E82-T86 WeakPolarHBondContact OE1-CG2 3.31Å; E84-T86 VanDerWaalsContact C-N 3.33Å; E84-T86 PolarHBondContact O-N 3.4Å; T86-D90 VanDerWaalsContact O-CB 3.23Å; T86-D90 WeakPolarHBondContact O-CB 3.43Å; T86-D90 PolarHBondContact O-N 3.49Å
87V93.7Very high92.8Very high2 Ų241.7 Ų41.71%0.01223%0.228CC..Iπ-helixtrans-65.8-50.7-169.8179.80000112.8L83 Y91 L123 L124 V127 I162L83-V87 HydrophobicContact CD2-CG2 4.09Å; L83-V87 PolarHBondContact O-N 2.94Å; V87-Y91 WeakPolarHBondContact O-CB 3.43Å; V87-Y91 PolarHBondContact O-N 3.25Å; V87-Y91 VanDerWaalsContact O-N 3.08Å; V87-L123 HydrophobicContact CG1-CD2 3.92Å; V87-L123 HydrophobicContact CG1-CG 4.03Å; V87-L123 HydrophobicContact CG2-CD2 4.41Å; V87-L124 HydrophobicContact CG1-CD2 4Å; V87-V127 HydrophobicContact CG1-CG2 4.39Å; V87-V127 HydrophobicContact CG2-CG2 4.36Å; V87-I162 HydrophobicContact CG2-CD1 4.41Å; V87-I162 HydrophobicContact CG2-CG2 3.56Å
88L92.9Very high92.6Very high4 Ų439 Ų392%0.02121%0.213CC..Iπ-helixtrans-72.3-38.4-175.4-58.7-175.6000111.6F44 L47 M51 L83 E84 R92 L124F44-L88 HydrophobicContact CD2-CD2 3.98Å; F44-L88 HydrophobicContact CE2-CB 4.42Å; F44-L88 HydrophobicContact CE2-CD2 3.76Å; L47-L88 HydrophobicContact CD2-CD2 3.65Å; L47-L88 HydrophobicContact CG-CD2 4.23Å; M51-L88 HydrophobicContact CE-CD1 4.2Å; M51-L88 HydrophobicContact SD-CD1 3.75Å; L83-L88 PolarHBondContact O-N 3.45Å; L83-L88 VanDerWaalsContact O-N 3.1Å; E84-L88 HydrophobicContact CB-CD1 4.34Å; E84-L88 HydrophobicContact CG-CD1 4.39Å; L88-R92 WeakPolarHBondContact O-CB 3.27Å; L88-R92 VanDerWaalsContact O-CG 3.23Å; L88-R92 WeakPolarHBondContact O-CG 3.36Å; L88-R92 PolarHBondContact O-N 2.91Å; L88-L124 HydrophobicContact CD2-CD2 4.38Å
89L93.3Very high92.4Very high77 Ų7740.9 Ų40.940%0.40322%0.222SC..Hα-helixtrans-65.1-44.8176.4-17459.4000111.3E84 A85 Y91 R92 N93E84-L89 WeakPolarHBondContact O-CB 3.23Å; E84-L89 PolarHBondContact O-N 3.21Å; A85-L89 WeakPolarHBondContact O-CB 3.28Å; A85-L89 WeakPolarHBondContact O-CD2 3.35Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.24Å; L89-R92 PolarHBondContact O-N 2.97Å; L89-N93 WeakPolarHBondContact O-CB 3.31Å; L89-N93 PolarHBondContact O-N 2.71Å; L89-N93 PolarHBondContact O-ND2 3.31Å
90D93.4Very high92Very high80 Ų8044.8 Ų44.843%0.42824%0.243SC..Hα-helixtrans-61.7-42.8177.2-74.2-17.9000111.9T86 N93 A94T86-D90 VanDerWaalsContact O-CB 3.23Å; T86-D90 WeakPolarHBondContact O-CB 3.43Å; T86-D90 PolarHBondContact O-N 3.49Å; D90-N93 PolarHBondContact O-N 3.41Å; D90-A94 WeakPolarHBondContact O-CB 3.43Å; D90-A94 PolarHBondContact O-N 2.9Å
91Y94.5Very high91.5Very high0 Ų047.6 Ų47.60%026%0.257CS..Hα-helixtrans-62.2-45.3174.2178.2-107.2000112.1L8 L40 F44 V87 L89 N93 A94 L95 I117 Y120 L124L8-Y91 PolarHBondContact O-OH 2.97Å; L40-Y91 HydrophobicContact CD2-CE2 3.5Å; L40-Y91 WeakPolarHBondContact CD2-OH 3.38Å; F44-Y91 HydrophobicContact CB-CE1 3.99Å; F44-Y91 HydrophobicContact CD1-CD1 4.45Å; F44-Y91 AromaticContact CD1-CE1 3.92Å; F44-Y91 HydrophobicContact CD1-CE1 3.92Å; F44-Y91 AromaticContact CD2-CD1 3.34Å; F44-Y91 HydrophobicContact CD2-CD1 3.34Å; F44-Y91 AromaticContact CD2-CE1 3.49Å; F44-Y91 HydrophobicContact CD2-CE1 3.49Å; F44-Y91 VanDerWaalsContact CD2-CE1 3.49Å; F44-Y91 HydrophobicContact CD2-CG 4.36Å; F44-Y91 HydrophobicContact CE1-CE1 4.28Å; F44-Y91 AromaticContact CE2-CD1 3.42Å; F44-Y91 HydrophobicContact CE2-CD1 3.42Å; F44-Y91 VanDerWaalsContact CE2-CD1 3.42Å; F44-Y91 AromaticContact CE2-CE1 3.88Å; F44-Y91 HydrophobicContact CE2-CE1 3.88Å; F44-Y91 AromaticContact CG-CD1 3.89Å; F44-Y91 HydrophobicContact CG-CD1 3.89Å; F44-Y91 AromaticContact CG-CE1 3.51Å; F44-Y91 HydrophobicContact CG-CE1 3.51Å; F44-Y91 HydrophobicContact CZ-CD1 4.05Å; F44-Y91 HydrophobicContact CZ-CE1 4.26Å; V87-Y91 WeakPolarHBondContact O-CB 3.43Å; V87-Y91 PolarHBondContact O-N 3.25Å; V87-Y91 VanDerWaalsContact O-N 3.08Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 3.24Å; Y91-N93 VanDerWaalsContact C-N 3.34Å; Y91-N93 PolarHBondContact O-N 3.3Å; Y91-A94 WeakPolarHBondContact O-CB 3.13Å; Y91-A94 PolarHBondContact O-N 3.35Å; Y91-L95 HydrophobicContact CD1-CD1 4.15Å; Y91-L95 HydrophobicContact CE1-CD1 3.53Å; Y91-L95 HydrophobicContact CE1-CG 4.15Å; Y91-L95 HydrophobicContact CE2-CD2 4.29Å; Y91-L95 HydrophobicContact CE2-CG 4.37Å; Y91-L95 WeakPolarHBondContact O-CG 3.4Å; Y91-L95 PolarHBondContact O-N 3.49Å; Y91-I117 HydrophobicContact CE2-CG2 3.95Å; Y91-Y120 AromaticContact CD2-CD1 3.88Å; Y91-Y120 HydrophobicContact CD2-CD1 3.88Å; Y91-Y120 HydrophobicContact CD2-CD2 4.18Å; Y91-Y120 HydrophobicContact CD2-CE1 4.42Å; Y91-Y120 AromaticContact CD2-CG 3.75Å; Y91-Y120 HydrophobicContact CD2-CG 3.75Å; Y91-Y120 HydrophobicContact CE2-CG 4.45Å; Y91-Y120 HydrophobicContact CG-CD1 4.47Å; Y91-L124 HydrophobicContact CD2-CD1 4.14Å; Y91-L124 HydrophobicContact CE2-CD1 4.16Å; Y91-L124 HydrophobicContact CG-CD1 4.36Å
92R93.3Very high91Very high85 Ų8548 Ų4832%0.32125%0.252SS..Hα-helixtrans-60.7-42.7176-74.6168.3177.8155.61.1111.3F44 E84 L88 L89 A94 L95 I96F44-R92 HydrophobicContact CZ-CG 4.15Å; E84-R92 IonicContact OE1-NH1 3.43Å; E84-R92 PolarHBondContact OE1-NH1 3.01Å; L88-R92 WeakPolarHBondContact O-CB 3.27Å; L88-R92 VanDerWaalsContact O-CG 3.23Å; L88-R92 WeakPolarHBondContact O-CG 3.36Å; L88-R92 PolarHBondContact O-N 2.91Å; L89-R92 PolarHBondContact O-N 2.97Å; R92-A94 VanDerWaalsContact C-N 3.34Å; R92-A94 PolarHBondContact O-N 3.46Å; R92-L95 WeakPolarHBondContact O-CB 3.46Å; R92-L95 PolarHBondContact O-N 3.41Å; R92-I96 WeakPolarHBondContact O-CG1 3.35Å; R92-I96 PolarHBondContact O-N 3.24Å
93N93.6Very high90.3Very high67 Ų6752 Ų5236%0.35827%0.269SS..Hα-helixtrans-62.5-41176.2-71.8-25.4000111.7L89 D90 Y91 L95 I96 Q97L89-N93 WeakPolarHBondContact O-CB 3.31Å; L89-N93 PolarHBondContact O-N 2.71Å; L89-N93 PolarHBondContact O-ND2 3.31Å; D90-N93 PolarHBondContact O-N 3.41Å; Y91-N93 VanDerWaalsContact C-N 3.34Å; Y91-N93 PolarHBondContact O-N 3.3Å; N93-L95 VanDerWaalsContact C-N 3.31Å; N93-L95 PolarHBondContact O-N 3Å; N93-I96 PolarHBondContact O-N 3.3Å; N93-Q97 WeakPolarHBondContact O-CG 3.33Å; N93-Q97 PolarHBondContact O-N 2.96Å
94A91.9Very high89.4Confident17 Ų1755.9 Ų55.914%0.1430%0.296CS..Hα-helixtrans-62.4-37.4174.400000112.2D90 Y91 R92 L98 I117 Y120D90-A94 WeakPolarHBondContact O-CB 3.43Å; D90-A94 PolarHBondContact O-N 2.9Å; Y91-A94 WeakPolarHBondContact O-CB 3.13Å; Y91-A94 PolarHBondContact O-N 3.35Å; R92-A94 VanDerWaalsContact C-N 3.34Å; R92-A94 PolarHBondContact O-N 3.46Å; A94-L98 WeakPolarHBondContact O-CB 3.46Å; A94-L98 PolarHBondContact O-N 2.83Å; A94-I117 HydrophobicContact CB-CD1 4.48Å; A94-Y120 HydrophobicContact CB-CE2 3.92Å
95L91.1Very high88.1Confident8 Ų860.6 Ų60.64%0.04232%0.318CS..Hα-helixtrans-68.6-38.6174-64.8-176.2000112.7L8 L9 Y91 R92 N93 L98 D99 I117L8-L95 HydrophobicContact CB-CD1 4.28Å; L8-L95 HydrophobicContact CB-CD2 3.82Å; L8-L95 HydrophobicContact CD1-CD2 3.78Å; L8-L95 HydrophobicContact CG-CD2 4.35Å; L9-L95 HydrophobicContact CD2-CD1 3.59Å; L9-L95 HydrophobicContact CG-CD1 4.05Å; Y91-L95 HydrophobicContact CD1-CD1 4.15Å; Y91-L95 HydrophobicContact CE1-CD1 3.53Å; Y91-L95 HydrophobicContact CE1-CG 4.15Å; Y91-L95 HydrophobicContact CE2-CD2 4.29Å; Y91-L95 HydrophobicContact CE2-CG 4.37Å; Y91-L95 WeakPolarHBondContact O-CG 3.4Å; Y91-L95 PolarHBondContact O-N 3.49Å; R92-L95 WeakPolarHBondContact O-CB 3.46Å; R92-L95 PolarHBondContact O-N 3.41Å; N93-L95 VanDerWaalsContact C-N 3.31Å; N93-L95 PolarHBondContact O-N 3Å; L95-L98 PolarHBondContact O-N 3.29Å; L95-D99 PolarHBondContact O-N 2.82Å; L95-I117 HydrophobicContact CD2-CD1 3.94Å
96I90Very high86.4Confident95 Ų9564.5 Ų64.549%0.48734%0.342SS..Hα-helixtrans-63.9-44175.4-67.8164.4000110.5R92 N93 L98 D99 N100R92-I96 WeakPolarHBondContact O-CG1 3.35Å; R92-I96 PolarHBondContact O-N 3.24Å; N93-I96 PolarHBondContact O-N 3.3Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 2.95Å; I96-D99 PolarHBondContact O-N 2.82Å; I96-N100 PolarHBondContact O-N 3.04Å; I96-N100 PolarHBondContact O-ND2 3.17Å
97Q88.2Confident84.9Confident126 Ų12666.1 Ų66.159%0.58936%0.359SS*.Hα-helixtrans-61-41.1173.9-72.4178.5-1.700111.4N93 D99 N100 D101N93-Q97 WeakPolarHBondContact O-CG 3.33Å; N93-Q97 PolarHBondContact O-N 2.96Å; Q97-D99 VanDerWaalsContact C-N 3.32Å; Q97-D99 PolarHBondContact O-N 3Å; Q97-N100 PolarHBondContact O-N 2.91Å; Q97-D101 PolarHBondContact O-N 3.44Å
98L87.3Confident83.7Confident3 Ų367.7 Ų67.72%0.01637%0.37CS..Hα-helixtrans-64.7-36.3176.6-163138.6000112.4L5 A94 L95 I96 L102 I113 I117L5-L98 HydrophobicContact CD2-CB 4.45Å; L5-L98 HydrophobicContact CD2-CD2 3.47Å; L5-L98 VanDerWaalsContact CD2-CD2 3.47Å; L5-L98 HydrophobicContact CG-CD2 4.18Å; A94-L98 WeakPolarHBondContact O-CB 3.46Å; A94-L98 PolarHBondContact O-N 2.83Å; L95-L98 PolarHBondContact O-N 3.29Å; I96-L98 VanDerWaalsContact C-N 3.29Å; I96-L98 PolarHBondContact O-N 2.95Å; L98-L102 HydrophobicContact CD2-CD1 3.6Å; L98-L102 HydrophobicContact CD2-CG 4.19Å; L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 WeakPolarHBondContact O-CG 3.24Å; L98-L102 PolarHBondContact O-N 3.06Å; L98-I113 HydrophobicContact CD1-CB 4.24Å; L98-I113 HydrophobicContact CD1-CG1 4.17Å; L98-I113 HydrophobicContact CD1-CG2 3.84Å; L98-I113 HydrophobicContact CD2-CD1 4.24Å; L98-I113 HydrophobicContact CD2-CG1 4.14Å; L98-I113 HydrophobicContact CD2-CG2 4.31Å; L98-I117 HydrophobicContact CD1-CD1 4.17Å; L98-I117 HydrophobicContact CD1-CG1 4.02Å
99D87.6Confident83Confident52 Ų5271.2 Ų71.228%0.27839%0.388SS..Hα-helixtrans-66.2-39.9173.4-17551.6000112.3L5 L95 I96 Q97 L102 K103L5-D99 HydrophobicContact CD1-CB 3.84Å; L5-D99 VanDerWaalsContact CD1-OD1 3.31Å; L5-D99 WeakPolarHBondContact CD1-OD1 3.17Å; L95-D99 PolarHBondContact O-N 2.82Å; I96-D99 PolarHBondContact O-N 2.82Å; Q97-D99 VanDerWaalsContact C-N 3.32Å; Q97-D99 PolarHBondContact O-N 3Å; D99-L102 PolarHBondContact O-N 3.16Å; D99-K103 WeakPolarHBondContact O-CG 3.32Å; D99-K103 PolarHBondContact O-N 3.44Å; D99-K103 VanDerWaalsContact OD2-CE 3.26Å; D99-K103 WeakPolarHBondContact OD2-CE 3.28Å; D99-K103 IonicContact OD2-NZ 2.61Å; D99-K103 PolarHBondContact OD2-NZ 2.86Å
100N86.6Confident82.4Confident83 Ų8368.7 Ų68.744%0.44438%0.375SS..Hα-helixtrans-65.3-42.6175.2-69.9-24.8000111.9I96 Q97 L102 K103 S104I96-N100 PolarHBondContact O-N 3.04Å; I96-N100 PolarHBondContact O-ND2 3.17Å; Q97-N100 PolarHBondContact O-N 2.91Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 3.06Å; N100-K103 WeakPolarHBondContact O-CB 3.44Å; N100-K103 PolarHBondContact O-N 2.85Å; N100-S104 PolarHBondContact O-N 3.19Å
101D83.7Confident82Confident59 Ų5967.1 Ų67.132%0.31637%0.368SS..Hα-helixtrans-68.1-30.6178.1-74.27.9000112.5Q97 K103 S104 R116Q97-D101 PolarHBondContact O-N 3.44Å; D101-K103 PolarHBondContact O-N 3.02Å; D101-S104 WeakPolarHBondContact CA-OG 3.32Å; D101-S104 PolarHBondContact O-N 2.62Å; D101-S104 PolarHBondContact O-OG 2.76Å; D101-R116 IonicContact OD2-CZ 2.91Å; D101-R116 IonicContact OD2-NH1 3.11Å; D101-R116 PolarHBondContact OD2-NH1 3.21Å; D101-R116 IonicContact OD2-NH2 3.13Å; D101-R116 PolarHBondContact OD2-NH2 2.9Å
102L81.3Confident81.5Confident41 Ų4170.6 Ų70.622%0.21539%0.387CS..Hα-helixtrans-67.3-21.8171.9-79.7170.9000113M1 L5 L98 D99 N100 C108M1-L102 HydrophobicContact CB-CD1 4.21Å; M1-L102 HydrophobicContact CB-CD2 3.76Å; M1-L102 HydrophobicContact CG-CD2 3.79Å; L5-L102 HydrophobicContact CD1-CD1 3.65Å; L5-L102 HydrophobicContact CD2-CD1 4.45Å; L5-L102 HydrophobicContact CG-CD1 3.94Å; L98-L102 HydrophobicContact CD2-CD1 3.6Å; L98-L102 HydrophobicContact CD2-CG 4.19Å; L98-L102 WeakPolarHBondContact O-CB 3.34Å; L98-L102 WeakPolarHBondContact O-CG 3.24Å; L98-L102 PolarHBondContact O-N 3.06Å; D99-L102 PolarHBondContact O-N 3.16Å; N100-L102 VanDerWaalsContact C-N 3.29Å; N100-L102 PolarHBondContact O-N 3.06Å; L102-C108 HydrophobicContact CD2-CB 3.69Å; L102-C108 WeakPolarHBondContact CD2-SG 3.44Å
103K80.7Confident81.2Confident144 Ų14466.5 Ų66.563%0.62637%0.371SS*.Hα-helixtrans-87.1-29.3176.3-66.9167.4-168.2158.50112.6D99 N100 D101D99-K103 WeakPolarHBondContact O-CG 3.32Å; D99-K103 PolarHBondContact O-N 3.44Å; D99-K103 VanDerWaalsContact OD2-CE 3.26Å; D99-K103 WeakPolarHBondContact OD2-CE 3.28Å; D99-K103 IonicContact OD2-NZ 2.61Å; D99-K103 PolarHBondContact OD2-NZ 2.86Å; N100-K103 WeakPolarHBondContact O-CB 3.44Å; N100-K103 PolarHBondContact O-N 2.85Å; D101-K103 PolarHBondContact O-N 3.02Å
104S75.9Confident80.9Confident82 Ų8264.4 Ų64.457%0.57336%0.359SS*.Hα-helixtrans-86.2-37.7-169.655.70000115N100 D101N100-S104 PolarHBondContact O-N 3.19Å; D101-S104 WeakPolarHBondContact CA-OG 3.32Å; D101-S104 PolarHBondContact O-N 2.62Å; D101-S104 PolarHBondContact O-OG 2.76Å
105E64.3Low80.7Confident157 Ų15770.1 Ų70.173%0.73438%0.378SS*.  trans-148.8144.9-172.6-77-175.4170.100116A107E105-A107 PolarHBondContact O-N 2.9Å
106S57.6Low80.5Confident137 Ų13776 Ų7696%0.95840%0.399SS*.THydrogen-bonded Turntrans-7415.3-168.753.10000116.6
107A62.4Low80.5Confident70 Ų7071.5 Ų71.558%0.57938%0.377SS*.THydrogen-bonded Turntrans-115.52.8-176.200000114.9E105 N109 N112E105-A107 PolarHBondContact O-N 2.9Å; A107-N109 PolarHBondContact O-N 3.24Å; A107-N109 VanDerWaalsContact O-N 3.08Å; A107-N112 PolarHBondContact O-ND2 3.41Å
108C68Low80.6Confident35 Ų3570.9 Ų70.924%0.23637%0.372CS..  trans-70.5108.8176.1-167.10000109.8M1 L102M1-C108 WeakPolarHBondContact CE-O 3.32Å; L102-C108 HydrophobicContact CD2-CB 3.69Å; L102-C108 WeakPolarHBondContact CD2-SG 3.44Å
109N78.1Confident80.6Confident77 Ų7774.4 Ų74.441%0.41240%0.395SS..  trans-108.9166.2173.168.828000110.2A107 V111 N112 I113A107-N109 PolarHBondContact O-N 3.24Å; A107-N109 VanDerWaalsContact O-N 3.08Å; N109-V111 PolarHBondContact O-N 3.44Å; N109-V111 VanDerWaalsContact O-N 3.12Å; N109-V111 WeakPolarHBondContact OD1-CA 3.47Å; N109-V111 WeakPolarHBondContact OD1-CB 3.46Å; N109-V111 PolarHBondContact OD1-N 3.33Å; N109-V111 VanDerWaalsContact OD1-N 3.13Å; N109-N112 PolarHBondContact O-N 2.88Å; N109-N112 VanDerWaalsContact O-N 3.08Å; N109-N112 PolarHBondContact OD1-N 3.32Å; N109-N112 PolarHBondContact OD1-OD1 3.01Å; N109-I113 PolarHBondContact O-N 3.43Å
110I81.8Confident80.9Confident25 Ų2574.4 Ų74.413%0.12839%0.392CS..Hα-helixtrans-56.8-31.6-178.1-61.1-178.2000111.6M1 I4 L26 V34 L37 I113 F114M1-I110 HydrophobicContact CE-CG1 4.42Å; I4-I110 HydrophobicContact CD1-CD1 4.13Å; I4-I110 HydrophobicContact CD1-CG1 3.73Å; L26-I110 HydrophobicContact CD2-CD1 3.69Å; V34-I110 HydrophobicContact CG2-CD1 4.16Å; V34-I110 HydrophobicContact CG2-CG2 4.1Å; L37-I110 HydrophobicContact CD1-CG2 4.35Å; I110-I113 PolarHBondContact O-N 2.97Å; I110-F114 WeakPolarHBondContact O-CB 3.07Å; I110-F114 PolarHBondContact O-N 3.24Å
111V83.4Confident81.1Confident46 Ų4675.4 Ų75.428%0.27939%0.389SS..Hα-helixtrans-68.6-42.5179.9-178.70000110.8Y33 N109 F114 Y115Y33-V111 HydrophobicContact CD2-CG2 4.38Å; Y33-V111 HydrophobicContact CE2-CG2 4.18Å; N109-V111 PolarHBondContact O-N 3.44Å; N109-V111 VanDerWaalsContact O-N 3.12Å; N109-V111 WeakPolarHBondContact OD1-CA 3.47Å; N109-V111 WeakPolarHBondContact OD1-CB 3.46Å; N109-V111 PolarHBondContact OD1-N 3.33Å; N109-V111 VanDerWaalsContact OD1-N 3.13Å; V111-F114 WeakPolarHBondContact O-CB 3.47Å; V111-F114 PolarHBondContact O-N 3.28Å; V111-Y115 HydrophobicContact CG1-CD2 3.69Å; V111-Y115 HydrophobicContact CG1-CE2 3.43Å; V111-Y115 VanDerWaalsContact CG1-CE2 3.43Å; V111-Y115 WeakPolarHBondContact O-CD2 3.26Å; V111-Y115 PolarHBondContact O-N 3.29Å
112N84Confident81.4Confident73 Ų7377.3 Ų77.339%0.3940%0.395SS..Hα-helixtrans-63.5-42.8176-69.9-10.4000111.6A107 N109 F114 Y115 R116A107-N112 PolarHBondContact O-ND2 3.41Å; N109-N112 PolarHBondContact O-N 2.88Å; N109-N112 VanDerWaalsContact O-N 3.08Å; N109-N112 PolarHBondContact OD1-N 3.32Å; N109-N112 PolarHBondContact OD1-OD1 3.01Å; N112-F114 VanDerWaalsContact C-N 3.32Å; N112-F114 PolarHBondContact O-N 2.85Å; N112-Y115 PolarHBondContact O-N 3.41Å; N112-R116 WeakPolarHBondContact O-CG 3.38Å; N112-R116 PolarHBondContact O-N 3.5Å
113I86.9Confident82Confident0 Ų075.8 Ų75.80%039%0.387CS..Hα-helixtrans-59.6-46.5174-62175.6000110.2M1 I4 L8 L37 L98 N109 I110 Y115 R116 I117M1-I113 HydrophobicContact CE-CD1 3.91Å; M1-I113 HydrophobicContact SD-CD1 3.84Å; I4-I113 HydrophobicContact CD1-CD1 4.14Å; I4-I113 HydrophobicContact CG2-CD1 4.41Å; I4-I113 HydrophobicContact CG2-CG2 4.07Å; L8-I113 HydrophobicContact CD1-CG2 4.17Å; L37-I113 HydrophobicContact CD1-CG2 4.01Å; L37-I113 HydrophobicContact CD2-CG2 4.29Å; L98-I113 HydrophobicContact CD1-CB 4.24Å; L98-I113 HydrophobicContact CD1-CG1 4.17Å; L98-I113 HydrophobicContact CD1-CG2 3.84Å; L98-I113 HydrophobicContact CD2-CD1 4.24Å; L98-I113 HydrophobicContact CD2-CG1 4.14Å; L98-I113 HydrophobicContact CD2-CG2 4.31Å; N109-I113 PolarHBondContact O-N 3.43Å; I110-I113 PolarHBondContact O-N 2.97Å; I113-Y115 PolarHBondContact O-N 2.89Å; I113-R116 PolarHBondContact O-N 3.23Å; I113-I117 WeakPolarHBondContact O-CG1 3.21Å; I113-I117 PolarHBondContact O-N 2.58Å; I113-I117 VanDerWaalsContact O-N 3.11Å
114F88.5Confident82.6Confident22 Ų2269 Ų6910%0.09636%0.357CS..Hα-helixtrans-57.3-50.6177.8173.9-94.7000112.4Y33 T36 I110 V111 N112 R116 I117 K118Y33-F114 HydrophobicContact CD1-CB 4.09Å; Y33-F114 AromaticContact CD1-CD1 3.55Å; Y33-F114 HydrophobicContact CD1-CD1 3.55Å; Y33-F114 AromaticContact CD1-CD2 3.73Å; Y33-F114 HydrophobicContact CD1-CD2 3.73Å; Y33-F114 AromaticContact CD1-CE1 3.78Å; Y33-F114 HydrophobicContact CD1-CE1 3.78Å; Y33-F114 AromaticContact CD1-CE2 3.94Å; Y33-F114 HydrophobicContact CD1-CE2 3.94Å; Y33-F114 AromaticContact CD1-CG 3.51Å; Y33-F114 HydrophobicContact CD1-CG 3.51Å; Y33-F114 AromaticContact CD1-CZ 3.97Å; Y33-F114 HydrophobicContact CD1-CZ 3.97Å; Y33-F114 AromaticContact CE1-CD1 3.85Å; Y33-F114 HydrophobicContact CE1-CD1 3.85Å; Y33-F114 AromaticContact CE1-CE1 3.88Å; Y33-F114 HydrophobicContact CE1-CE1 3.88Å; Y33-F114 HydrophobicContact CE1-CG 4.29Å; Y33-F114 HydrophobicContact CE1-CZ 4.34Å; Y33-F114 HydrophobicContact CG-CD2 4.43Å; Y33-F114 HydrophobicContact CG-CG 4.32Å; T36-F114 HydrophobicContact CG2-CD2 4.4Å; T36-F114 HydrophobicContact CG2-CE2 3.69Å; I110-F114 WeakPolarHBondContact O-CB 3.07Å; I110-F114 PolarHBondContact O-N 3.24Å; V111-F114 WeakPolarHBondContact O-CB 3.47Å; V111-F114 PolarHBondContact O-N 3.28Å; N112-F114 VanDerWaalsContact C-N 3.32Å; N112-F114 PolarHBondContact O-N 2.85Å; F114-R116 VanDerWaalsContact C-N 3.29Å; F114-R116 PolarHBondContact O-N 3.23Å; F114-I117 PolarHBondContact O-N 3.1Å; F114-K118 HydrophobicContact CE1-CD 3.83Å; F114-K118 HydrophobicContact CZ-CD 4.01Å; F114-K118 HydrophobicContact CZ-CG 4.38Å; F114-K118 WeakPolarHBondContact O-CB 3.3Å; F114-K118 PolarHBondContact O-N 3.13Å
115Y87Confident83.4Confident138 Ų13868.4 Ų68.454%0.54135%0.347SS..Hα-helixtrans-63.7-33.9-178.4-81.2-71.3000113.4V111 N112 I113V111-Y115 HydrophobicContact CG1-CD2 3.69Å; V111-Y115 HydrophobicContact CG1-CE2 3.43Å; V111-Y115 VanDerWaalsContact CG1-CE2 3.43Å; V111-Y115 WeakPolarHBondContact O-CD2 3.26Å; V111-Y115 PolarHBondContact O-N 3.29Å; N112-Y115 PolarHBondContact O-N 3.41Å; I113-Y115 PolarHBondContact O-N 2.89Å
116R87Confident84.8Confident130 Ų13061.5 Ų61.549%0.49132%0.317SS..Hα-helixtrans-71.1-39177.8-73.5-179173.1-163.21.5113.5D101 N112 I113 F114 P119D101-R116 IonicContact OD2-CZ 2.91Å; D101-R116 IonicContact OD2-NH1 3.11Å; D101-R116 PolarHBondContact OD2-NH1 3.21Å; D101-R116 IonicContact OD2-NH2 3.13Å; D101-R116 PolarHBondContact OD2-NH2 2.9Å; N112-R116 WeakPolarHBondContact O-CG 3.38Å; N112-R116 PolarHBondContact O-N 3.5Å; I113-R116 PolarHBondContact O-N 3.23Å; F114-R116 VanDerWaalsContact C-N 3.29Å; F114-R116 PolarHBondContact O-N 3.23Å; R116-P119 WeakPolarHBondContact O-CD 3.36Å
117I90.6Very high86.6Confident2 Ų255 Ų551%0.0127%0.272CS..Hα-helixtrans-92.7-20.8-174.8-57.4-62.5000112.3L8 L37 L40 Y91 A94 L95 L98 I113 F114 P119 Y120L8-I117 HydrophobicContact CD1-CG1 4.27Å; L8-I117 HydrophobicContact CD2-CG2 4.04Å; L37-I117 HydrophobicContact CD2-CB 4.33Å; L40-I117 HydrophobicContact CD1-CG2 3.74Å; L40-I117 HydrophobicContact CD2-CG2 3.78Å; L40-I117 HydrophobicContact CG-CG2 4.43Å; Y91-I117 HydrophobicContact CE2-CG2 3.95Å; A94-I117 HydrophobicContact CB-CD1 4.48Å; L95-I117 HydrophobicContact CD2-CD1 3.94Å; L98-I117 HydrophobicContact CD1-CD1 4.17Å; L98-I117 HydrophobicContact CD1-CG1 4.02Å; I113-I117 WeakPolarHBondContact O-CG1 3.21Å; I113-I117 PolarHBondContact O-N 2.58Å; I113-I117 VanDerWaalsContact O-N 3.11Å; F114-I117 PolarHBondContact O-N 3.1Å; I117-P119 VanDerWaalsContact C-N 3.32Å; I117-P119 VanDerWaalsContact O-N 3.14Å; I117-Y120 WeakPolarHBondContact O-CB 3.47Å; I117-Y120 PolarHBondContact O-N 3.2Å
118K88.7Confident88Confident112 Ų11252.1 Ų52.149%0.48725%0.247SC..Hα-helixtrans-47.1-41.1178.9179.1-176.9-178.6-1730114.8F114 Y120 R121F114-K118 HydrophobicContact CE1-CD 3.83Å; F114-K118 HydrophobicContact CZ-CD 4.01Å; F114-K118 HydrophobicContact CZ-CG 4.38Å; F114-K118 WeakPolarHBondContact O-CB 3.3Å; F114-K118 PolarHBondContact O-N 3.13Å; K118-Y120 PolarHBondContact O-N 3.43Å; K118-R121 VanDerWaalsContact O-CB 3.29Å; K118-R121 WeakPolarHBondContact O-CB 3.44Å; K118-R121 PolarHBondContact O-N 3.23Å; K118-R121 VanDerWaalsContact O-N 3.1Å
119P89.3Confident89.3Confident77 Ų7752 Ų5250%0.525%0.249SC..Hα-helixtrans-57.3-35.7178.9-25.836.2000113.4R116 I117 R121R116-P119 WeakPolarHBondContact O-CD 3.36Å; I117-P119 VanDerWaalsContact C-N 3.32Å; I117-P119 VanDerWaalsContact O-N 3.14Å; P119-R121 PolarHBondContact O-N 3.01Å
120Y92.2Very high90Very high53 Ų5348.4 Ų48.421%0.20823%0.229CC..Hα-helixtrans-69.2-18.3179.9-66-84.2000113.5Y91 A94 I117 K118 F122 L123 L124Y91-Y120 AromaticContact CD2-CD1 3.88Å; Y91-Y120 HydrophobicContact CD2-CD1 3.88Å; Y91-Y120 HydrophobicContact CD2-CD2 4.18Å; Y91-Y120 HydrophobicContact CD2-CE1 4.42Å; Y91-Y120 AromaticContact CD2-CG 3.75Å; Y91-Y120 HydrophobicContact CD2-CG 3.75Å; Y91-Y120 HydrophobicContact CE2-CG 4.45Å; Y91-Y120 HydrophobicContact CG-CD1 4.47Å; A94-Y120 HydrophobicContact CB-CE2 3.92Å; I117-Y120 WeakPolarHBondContact O-CB 3.47Å; I117-Y120 PolarHBondContact O-N 3.2Å; K118-Y120 PolarHBondContact O-N 3.43Å; Y120-F122 PolarHBondContact O-N 3.47Å; Y120-L123 PolarHBondContact O-N 3.24Å; Y120-L124 WeakPolarHBondContact O-CB 3.26Å; Y120-L124 WeakPolarHBondContact O-CG 3.3Å; Y120-L124 PolarHBondContact O-N 2.81Å
121R90.6Very high90.6Very high104 Ų10447.2 Ų47.239%0.39222%0.223SC..Hα-helixtrans-57.9-49.1-178.7-171.5179.9178177.51.1111.8T36 L40 K118 P119 N125T36-R121 VanDerWaalsContact CG2-NH1 3.29Å; L40-R121 HydrophobicContact CD1-CB 3.82Å; L40-R121 HydrophobicContact CD1-CG 4.45Å; K118-R121 VanDerWaalsContact O-CB 3.29Å; K118-R121 WeakPolarHBondContact O-CB 3.44Å; K118-R121 PolarHBondContact O-N 3.23Å; K118-R121 VanDerWaalsContact O-N 3.1Å; P119-R121 PolarHBondContact O-N 3.01Å; R121-N125 WeakPolarHBondContact O-CB 3.47Å; R121-N125 PolarHBondContact O-N 2.76Å; R121-N125 PolarHBondContact O-ND2 3.21Å
122F91.4Very high91Very high99 Ų9951 Ų5143%0.43424%0.238SC..Hα-helixtrans-67.4-45.1-179.2176.5-91.5000110.8Y120 S126 M155 P156 H159Y120-F122 PolarHBondContact O-N 3.47Å; F122-S126 WeakPolarHBondContact O-CB 3.29Å; F122-S126 PolarHBondContact O-N 3.44Å; F122-S126 PolarHBondContact O-OG 3.12Å; F122-M155 HydrophobicContact CE1-SD 3.98Å; F122-M155 HydrophobicContact CZ-SD 4.4Å; F122-P156 HydrophobicContact CE1-CG 3.7Å; F122-P156 HydrophobicContact CZ-CG 3.75Å; F122-H159 AromaticContact CD1-CE1 3.86Å; F122-H159 AromaticContact CD1-ND1 3.73Å
123L93.1Very high91.4Very high8 Ų851 Ų514%0.04224%0.238CC..Hα-helixtrans-61.7-52.2-178.6-179.160.4000111.9V87 Y120 N125 S126 V127 H159 I162 F163V87-L123 HydrophobicContact CG1-CD2 3.92Å; V87-L123 HydrophobicContact CG1-CG 4.03Å; V87-L123 HydrophobicContact CG2-CD2 4.41Å; Y120-L123 PolarHBondContact O-N 3.24Å; L123-N125 PolarHBondContact O-N 2.94Å; L123-S126 PolarHBondContact O-N 3.22Å; L123-V127 HydrophobicContact CD1-CG2 4.15Å; L123-V127 WeakPolarHBondContact O-CG2 3.4Å; L123-V127 PolarHBondContact O-N 3.36Å; L123-H159 HydrophobicContact CD1-CB 4.22Å; L123-I162 HydrophobicContact CD1-CD1 3.93Å; L123-I162 HydrophobicContact CD2-CD1 3.77Å; L123-F163 HydrophobicContact CD1-CE2 4.1Å
124L93.9Very high91.7Very high1 Ų151 Ų511%0.00524%0.238CC..Hα-helixtrans-64.4-38.7-178.9-69.3175.8000112.4L40 T43 F44 L47 V87 L88 Y91 Y120 S126 S128L40-L124 HydrophobicContact CD2-CD1 3.86Å; L40-L124 HydrophobicContact CG-CD1 4.19Å; T43-L124 HydrophobicContact CG2-CB 4.05Å; F44-L124 HydrophobicContact CB-CD1 4.22Å; F44-L124 HydrophobicContact CD2-CD2 4.48Å; L47-L124 HydrophobicContact CD2-CD2 4.22Å; V87-L124 HydrophobicContact CG1-CD2 4Å; L88-L124 HydrophobicContact CD2-CD2 4.38Å; Y91-L124 HydrophobicContact CD2-CD1 4.14Å; Y91-L124 HydrophobicContact CE2-CD1 4.16Å; Y91-L124 HydrophobicContact CG-CD1 4.36Å; Y120-L124 WeakPolarHBondContact O-CB 3.26Å; Y120-L124 WeakPolarHBondContact O-CG 3.3Å; Y120-L124 PolarHBondContact O-N 2.81Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S128 VanDerWaalsContact O-CB 3.24Å; L124-S128 WeakPolarHBondContact O-CB 3.31Å; L124-S128 PolarHBondContact O-N 3.47Å
125N92.9Very high91.8Very high70 Ų7052 Ų5237%0.37424%0.244SC..Hα-helixtrans-64.7-40.7174.6-75.6-16000111.7T43 R121 L123 S128 A129T43-N125 VanDerWaalsContact CG2-OD1 3.31Å; T43-N125 WeakPolarHBondContact CG2-OD1 3.46Å; T43-N125 PolarHBondContact OG1-OD1 3.42Å; R121-N125 WeakPolarHBondContact O-CB 3.47Å; R121-N125 PolarHBondContact O-N 2.76Å; R121-N125 PolarHBondContact O-ND2 3.21Å; L123-N125 PolarHBondContact O-N 2.94Å; N125-S128 PolarHBondContact O-N 2.94Å; N125-A129 WeakPolarHBondContact O-CB 3.35Å; N125-A129 PolarHBondContact O-N 3.38Å
126S93.5Very high91.7Very high13 Ų1348.4 Ų48.49%0.09125%0.249CC..Hα-helixtrans-66.6-45178.5-58.90000111.7F122 L123 L124 A129 M130F122-S126 WeakPolarHBondContact O-CB 3.29Å; F122-S126 PolarHBondContact O-N 3.44Å; F122-S126 PolarHBondContact O-OG 3.12Å; L123-S126 PolarHBondContact O-N 3.22Å; L124-S126 VanDerWaalsContact C-N 3.34Å; S126-A129 PolarHBondContact O-N 3.12Å; S126-M130 PolarHBondContact O-N 3.21Å
127V94.7Very high91.5Very high1 Ų144.7 Ų44.71%0.00625%0.25CS..Hα-helixtrans-65.5-40.1176.5173.90000111.1L47 L83 V87 L123 A129 M130 C131 F163L47-V127 HydrophobicContact CD1-CG1 4.01Å; L47-V127 HydrophobicContact CD2-CB 4.27Å; L47-V127 HydrophobicContact CD2-CG1 3.69Å; L83-V127 HydrophobicContact CD1-CG1 3.93Å; L83-V127 HydrophobicContact CD2-CG1 3.7Å; L83-V127 HydrophobicContact CD2-CG2 4.11Å; L83-V127 HydrophobicContact CG-CG1 4.38Å; V87-V127 HydrophobicContact CG1-CG2 4.39Å; V87-V127 HydrophobicContact CG2-CG2 4.36Å; L123-V127 HydrophobicContact CD1-CG2 4.15Å; L123-V127 WeakPolarHBondContact O-CG2 3.4Å; L123-V127 PolarHBondContact O-N 3.36Å; V127-A129 PolarHBondContact O-N 2.86Å; V127-M130 PolarHBondContact O-N 2.84Å; V127-C131 WeakPolarHBondContact O-CB 3.35Å; V127-C131 PolarHBondContact O-N 3.17Å; V127-C131 PolarHBondContact O-SG 2.92Å; V127-C131 VanDerWaalsContact O-SG 3.37Å; V127-F163 HydrophobicContact CG2-CZ 4.12Å
128S93Very high91.2Very high8 Ų849.2 Ų49.26%0.05628%0.283CS..Hα-helixtrans-63.3-40.6175.9-176.70000112.2Q50 L124 N125 C131 Q132Q50-S128 PolarHBondContact OE1-OG 3.42Å; L124-S128 VanDerWaalsContact O-CB 3.24Å; L124-S128 WeakPolarHBondContact O-CB 3.31Å; L124-S128 PolarHBondContact O-N 3.47Å; N125-S128 PolarHBondContact O-N 2.94Å; S128-C131 PolarHBondContact O-N 2.85Å; S128-Q132 WeakPolarHBondContact O-CB 3.44Å; S128-Q132 PolarHBondContact O-N 3.13Å
129A93.5Very high91.1Very high34 Ų3444.6 Ų44.628%0.28126%0.264SS..Hα-helixtrans-64.1-45.7173.800000111.8N125 S126 V127 C131 Q132 D133 W151N125-A129 WeakPolarHBondContact O-CB 3.35Å; N125-A129 PolarHBondContact O-N 3.38Å; S126-A129 PolarHBondContact O-N 3.12Å; V127-A129 PolarHBondContact O-N 2.86Å; A129-C131 PolarHBondContact O-N 2.98Å; A129-Q132 WeakPolarHBondContact O-CB 3.48Å; A129-Q132 PolarHBondContact O-N 3.04Å; A129-Q132 VanDerWaalsContact O-N 3.13Å; A129-D133 PolarHBondContact O-N 3.01Å; A129-W151 HydrophobicContact CB-CH2 3.65Å; A129-W151 HydrophobicContact CB-CZ2 3.97Å
130M94.8Very high91Very high0 Ų042.6 Ų42.60%025%0.247CC..Hα-helixtrans-61.8-43175.7-179.7-175.374.900112.3V79 L83 S126 V127 Q132 D133 L134 V148 W151 F163 L166V79-M130 HydrophobicContact CG1-CE 4.47Å; L83-M130 HydrophobicContact CD1-CE 3.75Å; L83-M130 HydrophobicContact CD2-CE 4.16Å; L83-M130 HydrophobicContact CG-CE 4.42Å; S126-M130 PolarHBondContact O-N 3.21Å; V127-M130 PolarHBondContact O-N 2.84Å; M130-Q132 PolarHBondContact O-N 3.47Å; M130-D133 WeakPolarHBondContact O-CB 3.3Å; M130-D133 PolarHBondContact O-N 3.42Å; M130-D133 VanDerWaalsContact O-N 3.16Å; M130-L134 HydrophobicContact CE-CD1 4.35Å; M130-L134 HydrophobicContact CG-CD1 3.96Å; M130-L134 HydrophobicContact CG-CG 4.33Å; M130-L134 WeakPolarHBondContact O-CB 3.46Å; M130-L134 WeakPolarHBondContact O-CG 3.29Å; M130-L134 PolarHBondContact O-N 3.3Å; M130-V148 HydrophobicContact SD-CG2 4.45Å; M130-W151 HydrophobicContact CB-CD2 3.9Å; M130-W151 HydrophobicContact CB-CG 4.01Å; M130-W151 HydrophobicContact CB-CZ2 4.23Å; M130-W151 HydrophobicContact CG-CB 4.41Å; M130-W151 VanDerWaalsContact CG-CD1 3.48Å; M130-W151 HydrophobicContact CG-CD2 4.25Å; M130-W151 HydrophobicContact CG-CG 3.81Å; M130-W151 HydrophobicContact SD-CB 3.98Å; M130-W151 HydrophobicContact SD-CG 4.03Å; M130-F163 HydrophobicContact CE-CE1 4.31Å; M130-F163 HydrophobicContact SD-CD1 4.08Å; M130-F163 HydrophobicContact SD-CE1 3.7Å; M130-L166 HydrophobicContact CE-CD1 3.67Å; M130-L166 HydrophobicContact SD-CD1 4.29Å
131C93.5Very high90.8Very high0 Ų040.1 Ų40.10%024%0.237CC..Hα-helixtrans-62.7-33.5175.3-75.30000111.8L47 V127 S128 A129 I135L47-C131 HydrophobicContact CD1-CB 3.97Å; L47-C131 VanDerWaalsContact CD1-SG 3.59Å; V127-C131 WeakPolarHBondContact O-CB 3.35Å; V127-C131 PolarHBondContact O-N 3.17Å; V127-C131 PolarHBondContact O-SG 2.92Å; V127-C131 VanDerWaalsContact O-SG 3.37Å; S128-C131 PolarHBondContact O-N 2.85Å; A129-C131 PolarHBondContact O-N 2.98Å; C131-I135 HydrophobicContact CB-CD1 4.45Å; C131-I135 VanDerWaalsContact O-CB 3.26Å; C131-I135 WeakPolarHBondContact O-CB 3.37Å; C131-I135 WeakPolarHBondContact O-CG1 3.34Å; C131-I135 PolarHBondContact O-N 2.96Å
132Q92Very high90.7Very high125 Ų12535.2 Ų35.258%0.58422%0.218SC*.Iπ-helixtrans-66.6-41.1172.9-174.6174.60.700111.9S128 A129 M130 G136S128-Q132 WeakPolarHBondContact O-CB 3.44Å; S128-Q132 PolarHBondContact O-N 3.13Å; A129-Q132 WeakPolarHBondContact O-CB 3.48Å; A129-Q132 PolarHBondContact O-N 3.04Å; A129-Q132 VanDerWaalsContact O-N 3.13Å; M130-Q132 PolarHBondContact O-N 3.47Å; Q132-G136 WeakPolarHBondContact O-CA 3.45Å; Q132-G136 PolarHBondContact O-N 3.23Å
133D92.9Very high90.7Very high74 Ų7435 Ų3540%0.39622%0.218SC..Iπ-helixtrans-63.5-44.6174.4-69.1-15.1000111.6A129 M130 G137 V147 W151A129-D133 PolarHBondContact O-N 3.01Å; M130-D133 WeakPolarHBondContact O-CB 3.3Å; M130-D133 PolarHBondContact O-N 3.42Å; M130-D133 VanDerWaalsContact O-N 3.16Å; D133-G137 VanDerWaalsContact O-CA 3.3Å; D133-G137 WeakPolarHBondContact O-CA 3.26Å; D133-G137 PolarHBondContact O-N 3.48Å; D133-V147 HydrophobicContact CB-CG1 4.12Å; D133-W151 WeakPolarHBondContact OD2-CZ2 3.27Å; D133-W151 PolarHBondContact OD2-NE1 2.87Å
134L92.9Very high90.7Very high0 Ų034.7 Ų34.70%022%0.216CC..Iπ-helixtrans-68.9-51.9-177.7-72.1174.3000112.7L76 V79 M130 C139 V144 V147 V148L76-L134 HydrophobicContact CD1-CB 3.82Å; L76-L134 HydrophobicContact CD1-CD1 4.13Å; L76-L134 HydrophobicContact CD1-CG 4.43Å; V79-L134 HydrophobicContact CG1-CD1 4.03Å; M130-L134 HydrophobicContact CE-CD1 4.35Å; M130-L134 HydrophobicContact CG-CD1 3.96Å; M130-L134 HydrophobicContact CG-CG 4.33Å; M130-L134 WeakPolarHBondContact O-CB 3.46Å; M130-L134 WeakPolarHBondContact O-CG 3.29Å; M130-L134 PolarHBondContact O-N 3.3Å; L134-C139 HydrophobicContact CD2-CB 4.35Å; L134-C139 PolarHBondContact O-N 3.28Å; L134-C139 VanDerWaalsContact O-N 3.1Å; L134-V144 HydrophobicContact CD2-CB 4.37Å; L134-V144 HydrophobicContact CD2-CG1 3.98Å; L134-V147 HydrophobicContact CD2-CB 3.71Å; L134-V147 HydrophobicContact CD2-CG1 3.58Å; L134-V147 HydrophobicContact CD2-CG2 4.4Å; L134-V147 HydrophobicContact CG-CG1 3.92Å; L134-V148 HydrophobicContact CD1-CG2 4.24Å; L134-V148 HydrophobicContact CD2-CG2 4.46Å
135I90.1Very high90.6Very high44 Ų4434.9 Ų34.923%0.22622%0.217CC..Iπ-helixtrans-79.9-46.6-175.8-60.5170000110Q50 Y54 L76 C131 G137 S138Q50-I135 HydrophobicContact CB-CD1 4.42Å; Y54-I135 HydrophobicContact CD2-CG2 4.39Å; L76-I135 HydrophobicContact CD2-CG1 4.44Å; C131-I135 HydrophobicContact CB-CD1 4.45Å; C131-I135 VanDerWaalsContact O-CB 3.26Å; C131-I135 WeakPolarHBondContact O-CB 3.37Å; C131-I135 WeakPolarHBondContact O-CG1 3.34Å; C131-I135 PolarHBondContact O-N 2.96Å; I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3Å; I135-S138 PolarHBondContact O-N 2.87Å; I135-S138 VanDerWaalsContact O-N 3.17Å
136G85.2Confident90.5Very high62 Ų6235 Ų3564%0.63922%0.215SC*.Iπ-helixtrans-67.7-33.3179.700000112.8Q132 S138Q132-G136 WeakPolarHBondContact O-CA 3.45Å; Q132-G136 PolarHBondContact O-N 3.23Å; G136-S138 PolarHBondContact O-N 3.39Å
137G82.6Confident90.5Very high51 Ų5135 Ų3553%0.52622%0.215SC..THydrogen-bonded Turntrans-76.7-2.817400000114.7D133 I135 C139D133-G137 VanDerWaalsContact O-CA 3.3Å; D133-G137 WeakPolarHBondContact O-CA 3.26Å; D133-G137 PolarHBondContact O-N 3.48Å; I135-G137 VanDerWaalsContact C-N 3.33Å; I135-G137 PolarHBondContact O-N 3Å; G137-C139 PolarHBondContact O-N 3.49Å
138S83.9Confident90.4Very high98 Ų9835 Ų3569%0.68521%0.214SC*.THydrogen-bonded Turntrans48.440.7-172.7-60.70000112.2I135 G136I135-S138 PolarHBondContact O-N 2.87Å; I135-S138 VanDerWaalsContact O-N 3.17Å; G136-S138 PolarHBondContact O-N 3.39Å
139C86.7Confident90.4Very high15 Ų1538.4 Ų38.410%0.10123%0.229CC..  trans-65.6137.9-175.8-63.10000110.7L134 G137 K143 V144L134-C139 HydrophobicContact CD2-CB 4.35Å; L134-C139 PolarHBondContact O-N 3.28Å; L134-C139 VanDerWaalsContact O-N 3.1Å; G137-C139 PolarHBondContact O-N 3.49Å; C139-K143 HydrophobicContact CB-CB 4.38Å; C139-V144 HydrophobicContact CB-CG2 3.83Å; C139-V144 WeakPolarHBondContact O-CG2 3.28Å
140R88.3Confident90.3Very high35 Ų3543 Ų4313%0.13224%0.239CC..  trans-138.7153.7178.8-65.4-162.771-167.1-4.1111Q70 K71 A142 K143 D191 E192Q70-R140 VanDerWaalsContact CG-NH1 3.32Å; K71-R140 PolarHBondContact O-NH2 3.03Å; R140-A142 PolarHBondContact O-N 3.4Å; R140-K143 WeakPolarHBondContact O-CB 3.47Å; R140-K143 PolarHBondContact O-N 3.43Å; R140-D191 IonicContact CZ-OD2 3.96Å; R140-D191 IonicContact NH1-OD2 2.79Å; R140-D191 PolarHBondContact NH1-OD2 2.92Å; R140-D191 IonicContact NH2-OD1 3.69Å; R140-D191 PolarHBondContact NH2-OD1 3.19Å; R140-D191 IonicContact NH2-OD2 3.69Å; R140-D191 PolarHBondContact NH2-OD2 3.34Å; R140-E192 VanDerWaalsContact CB-OE1 3.31Å; R140-E192 WeakPolarHBondContact CB-OE1 3.39Å; R140-E192 IonicContact CZ-OE1 3.36Å; R140-E192 IonicContact NE-OE1 3.44Å; R140-E192 PolarHBondContact NE-OE1 3.35Å; R140-E192 IonicContact NH2-OE1 3.71Å; R140-E192 PolarHBondContact NH2-OE1 2.94Å
141G87.6Confident90.3Very high0 Ų045 Ų450%025%0.247CC..THydrogen-bonded Turntrans52.5-133.2177.500000113.4K143 V144 E192G141-K143 PolarHBondContact O-N 3.41Å; G141-K143 VanDerWaalsContact O-N 3.15Å; G141-V144 WeakPolarHBondContact O-CB 3.41Å; G141-V144 PolarHBondContact O-N 3.38Å; G141-E192 PolarHBondContact N-OE1 3.43Å
142A88.8Confident90.2Very high1 Ų145.2 Ų45.21%0.00825%0.249CC..Hα-helixtrans-56.9-28.3-179.500000114.5R140 V144 L145 E146 M212 P214R140-A142 PolarHBondContact O-N 3.4Å; A142-V144 PolarHBondContact O-N 3.19Å; A142-L145 WeakPolarHBondContact O-CB 3.29Å; A142-L145 PolarHBondContact O-N 2.85Å; A142-L145 VanDerWaalsContact O-N 3.07Å; A142-E146 WeakPolarHBondContact O-CG 3.38Å; A142-E146 PolarHBondContact O-N 2.9Å; A142-M212 WeakPolarHBondContact CB-O 3.42Å; A142-P214 HydrophobicContact CB-CB 4.46Å; A142-P214 HydrophobicContact CB-CG 4.14Å
143K90.9Very high90.1Very high96 Ų9645.5 Ų45.542%0.41725%0.25SS..Hα-helixtrans-62.3-33.3177.2-64.9-178.9-179.6173.50112.2C139 R140 G141 E146 V147C139-K143 HydrophobicContact CB-CB 4.38Å; R140-K143 WeakPolarHBondContact O-CB 3.47Å; R140-K143 PolarHBondContact O-N 3.43Å; G141-K143 PolarHBondContact O-N 3.41Å; G141-K143 VanDerWaalsContact O-N 3.15Å; K143-E146 PolarHBondContact O-N 3.39Å; K143-V147 WeakPolarHBondContact O-CG2 3.36Å; K143-V147 PolarHBondContact O-N 3.44Å; K143-V147 VanDerWaalsContact O-N 3.1Å
144V93.1Very high90.1Very high0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-63.3-46.6174175.10000109.9L76 V79 L134 C139 G141 A142 E146 V147 V148L76-V144 HydrophobicContact CB-CG2 4.31Å; V79-V144 HydrophobicContact CG2-CG1 3.93Å; L134-V144 HydrophobicContact CD2-CB 4.37Å; L134-V144 HydrophobicContact CD2-CG1 3.98Å; C139-V144 HydrophobicContact CB-CG2 3.83Å; C139-V144 WeakPolarHBondContact O-CG2 3.28Å; G141-V144 WeakPolarHBondContact O-CB 3.41Å; G141-V144 PolarHBondContact O-N 3.38Å; A142-V144 PolarHBondContact O-N 3.19Å; V144-E146 PolarHBondContact O-N 3.37Å; V144-V147 PolarHBondContact O-N 3.39Å; V144-V148 HydrophobicContact CG1-CG2 4.43Å; V144-V148 VanDerWaalsContact O-CG2 3.3Å; V144-V148 WeakPolarHBondContact O-CG2 3.43Å; V144-V148 PolarHBondContact O-N 3.24Å
145L92.1Very high90.1Very high6 Ų648.2 Ų48.23%0.03126%0.263CS..Hα-helixtrans-63.6-39.5179.7179.558000111.8A142 H149 V167 C170 Q171 P214 F216A142-L145 WeakPolarHBondContact O-CB 3.29Å; A142-L145 PolarHBondContact O-N 2.85Å; A142-L145 VanDerWaalsContact O-N 3.07Å; L145-H149 VanDerWaalsContact O-CB 3.25Å; L145-H149 WeakPolarHBondContact O-CB 3.43Å; L145-H149 PolarHBondContact O-N 3.34Å; L145-V167 HydrophobicContact CD1-CG1 4.38Å; L145-C170 HydrophobicContact CB-CB 4.22Å; L145-C170 HydrophobicContact CD1-CB 3.39Å; L145-C170 HydrophobicContact CG-CB 4.28Å; L145-Q171 HydrophobicContact CD1-CG 4.43Å; L145-P214 HydrophobicContact CD2-CB 4.16Å; L145-P214 HydrophobicContact CD2-CG 4.42Å; L145-F216 HydrophobicContact CD2-CE1 3.52Å; L145-F216 HydrophobicContact CD2-CZ 3.9Å; L145-F216 HydrophobicContact CG-CE1 4.27Å
146E90.7Very high90.1Very high73 Ų7348.8 Ų48.834%0.34127%0.27SS..Hα-helixtrans-62.7-44.8174.6-72.7179.7177.800113A142 K143 V144 H149 R150A142-E146 WeakPolarHBondContact O-CG 3.38Å; A142-E146 PolarHBondContact O-N 2.9Å; K143-E146 PolarHBondContact O-N 3.39Å; V144-E146 PolarHBondContact O-N 3.37Å; E146-H149 PolarHBondContact O-N 3.14Å; E146-R150 WeakPolarHBondContact O-CB 3.27Å; E146-R150 PolarHBondContact O-N 2.86Å
147V93.2Very high90.3Very high13 Ų1353.2 Ų53.28%0.07928%0.278CS..Hα-helixtrans-63.5-49.2178.1171.30000109.7D133 L134 K143 V144 H149 R150 W151D133-V147 HydrophobicContact CB-CG1 4.12Å; L134-V147 HydrophobicContact CD2-CB 3.71Å; L134-V147 HydrophobicContact CD2-CG1 3.58Å; L134-V147 HydrophobicContact CD2-CG2 4.4Å; L134-V147 HydrophobicContact CG-CG1 3.92Å; K143-V147 WeakPolarHBondContact O-CG2 3.36Å; K143-V147 PolarHBondContact O-N 3.44Å; K143-V147 VanDerWaalsContact O-N 3.1Å; V144-V147 PolarHBondContact O-N 3.39Å; V147-H149 VanDerWaalsContact C-N 3.32Å; V147-H149 PolarHBondContact O-N 2.87Å; V147-R150 WeakPolarHBondContact O-CB 3.42Å; V147-R150 PolarHBondContact O-N 3.13Å; V147-W151 PolarHBondContact O-N 3.43Å
148V93.6Very high90.6Very high0 Ų055.5 Ų55.50%028%0.282CS..Hα-helixtrans-61.3-41.4179.3175.50000111.5V79 M130 L134 V144 W151 A152 L166 V167V79-V148 HydrophobicContact CG1-CG2 4.21Å; V79-V148 HydrophobicContact CG2-CG2 3.95Å; M130-V148 HydrophobicContact SD-CG2 4.45Å; L134-V148 HydrophobicContact CD1-CG2 4.24Å; L134-V148 HydrophobicContact CD2-CG2 4.46Å; V144-V148 HydrophobicContact CG1-CG2 4.43Å; V144-V148 VanDerWaalsContact O-CG2 3.3Å; V144-V148 WeakPolarHBondContact O-CG2 3.43Å; V144-V148 PolarHBondContact O-N 3.24Å; V148-W151 PolarHBondContact O-N 3.1Å; V148-A152 PolarHBondContact O-N 3.41Å; V148-L166 HydrophobicContact CG1-CB 3.53Å; V148-V167 HydrophobicContact CG1-CG2 3.81Å
149H91.5Very high90.9Very high79 Ų7952.2 Ų52.237%0.36626%0.256SS..Hα-helixtrans-61.6-46.5176.4-170.4-87.1000112.1L145 E146 V147 W151 A152 E153L145-H149 VanDerWaalsContact O-CB 3.25Å; L145-H149 WeakPolarHBondContact O-CB 3.43Å; L145-H149 PolarHBondContact O-N 3.34Å; E146-H149 PolarHBondContact O-N 3.14Å; V147-H149 VanDerWaalsContact C-N 3.32Å; V147-H149 PolarHBondContact O-N 2.87Å; H149-W151 VanDerWaalsContact C-N 3.28Å; H149-W151 PolarHBondContact O-N 2.91Å; H149-A152 WeakPolarHBondContact O-CB 3.45Å; H149-A152 PolarHBondContact O-N 3.47Å; H149-A152 VanDerWaalsContact O-N 3.1Å; H149-E153 IonicContact CE1-OE1 2.68Å; H149-E153 PolarHBondContact CE1-OE1 3.14Å; H149-E153 IonicContact ND1-OE1 2.79Å; H149-E153 PolarHBondContact ND1-OE1 3.18Å; H149-E153 PolarHBondContact O-N 2.9Å
150R92.8Very high91.1Very high130 Ų13055.3 Ų55.349%0.49127%0.267SS..Hα-helixtrans-58.4-41.9176.4-172.1-171.4-52.7157.36.5111.7E146 V147 E153 I154E146-R150 WeakPolarHBondContact O-CB 3.27Å; E146-R150 PolarHBondContact O-N 2.86Å; V147-R150 WeakPolarHBondContact O-CB 3.42Å; V147-R150 PolarHBondContact O-N 3.13Å; R150-E153 PolarHBondContact O-N 3.13Å; R150-I154 HydrophobicContact CG-CD1 4.22Å; R150-I154 WeakPolarHBondContact O-CD1 3.44Å; R150-I154 WeakPolarHBondContact O-CG1 3.25Å; R150-I154 PolarHBondContact O-N 3.26Å
151W93.5Very high91.3Very high42 Ų4259.6 Ų59.616%0.15929%0.289CS..Hα-helixtrans-66.1-40.7175.4-81.1101.6000111.7A129 M130 D133 V147 V148 H149 E153 I154 M155 F163A129-W151 HydrophobicContact CB-CH2 3.65Å; A129-W151 HydrophobicContact CB-CZ2 3.97Å; M130-W151 HydrophobicContact CB-CD2 3.9Å; M130-W151 HydrophobicContact CB-CG 4.01Å; M130-W151 HydrophobicContact CB-CZ2 4.23Å; M130-W151 HydrophobicContact CG-CB 4.41Å; M130-W151 VanDerWaalsContact CG-CD1 3.48Å; M130-W151 HydrophobicContact CG-CD2 4.25Å; M130-W151 HydrophobicContact CG-CG 3.81Å; M130-W151 HydrophobicContact SD-CB 3.98Å; M130-W151 HydrophobicContact SD-CG 4.03Å; D133-W151 WeakPolarHBondContact OD2-CZ2 3.27Å; D133-W151 PolarHBondContact OD2-NE1 2.87Å; V147-W151 PolarHBondContact O-N 3.43Å; V148-W151 PolarHBondContact O-N 3.1Å; H149-W151 VanDerWaalsContact C-N 3.28Å; H149-W151 PolarHBondContact O-N 2.91Å; W151-E153 VanDerWaalsContact C-N 3.29Å; W151-E153 PolarHBondContact O-N 2.98Å; W151-I154 PolarHBondContact O-N 2.98Å; W151-M155 HydrophobicContact CE3-CE 3.42Å; W151-M155 VanDerWaalsContact CE3-CE 3.42Å; W151-M155 HydrophobicContact CZ3-CE 3.68Å; W151-M155 WeakPolarHBondContact O-CG 3.23Å; W151-M155 PolarHBondContact O-N 3.1Å; W151-F163 HydrophobicContact CB-CD1 3.92Å; W151-F163 HydrophobicContact CB-CE1 3.94Å
152A92.1Very high91.5Very high6 Ų660.6 Ų60.65%0.0529%0.294CS..Hα-helixtrans-60.4-35.3175.800000113.4V148 H149 F163 V167V148-A152 PolarHBondContact O-N 3.41Å; H149-A152 WeakPolarHBondContact O-CB 3.45Å; H149-A152 PolarHBondContact O-N 3.47Å; H149-A152 VanDerWaalsContact O-N 3.1Å; A152-F163 HydrophobicContact CB-CB 3.78Å; A152-V167 HydrophobicContact CB-CG2 3.9Å
153E90.5Very high91.7Very high130 Ų13060.6 Ų60.661%0.60729%0.294SS*.Hα-helixtrans-66.7-37.5176.5-72.2177.3168.700113.3H149 R150 W151H149-E153 IonicContact CE1-OE1 2.68Å; H149-E153 PolarHBondContact CE1-OE1 3.14Å; H149-E153 IonicContact ND1-OE1 2.79Å; H149-E153 PolarHBondContact ND1-OE1 3.18Å; H149-E153 PolarHBondContact O-N 2.9Å; R150-E153 PolarHBondContact O-N 3.13Å; W151-E153 VanDerWaalsContact C-N 3.29Å; W151-E153 PolarHBondContact O-N 2.98Å
154I92.8Very high91.8Very high117 Ų11758.2 Ų58.260%0.629%0.285SS*.Hα-helixtrans-82.9-17.2-174.9-61165.7000111.6R150 W151R150-I154 HydrophobicContact CG-CD1 4.22Å; R150-I154 WeakPolarHBondContact O-CD1 3.44Å; R150-I154 WeakPolarHBondContact O-CG1 3.25Å; R150-I154 PolarHBondContact O-N 3.26Å; W151-I154 PolarHBondContact O-N 2.98Å
155M92Very high91.8Very high14 Ų1459.2 Ų59.27%0.06930%0.296CS..SBendtrans-72.9138.7-171.4-78.9-66.5138.100114.3F122 W151 F163F122-M155 HydrophobicContact CE1-SD 3.98Å; F122-M155 HydrophobicContact CZ-SD 4.4Å; W151-M155 HydrophobicContact CE3-CE 3.42Å; W151-M155 VanDerWaalsContact CE3-CE 3.42Å; W151-M155 HydrophobicContact CZ3-CE 3.68Å; W151-M155 WeakPolarHBondContact O-CG 3.23Å; W151-M155 PolarHBondContact O-N 3.1Å; M155-F163 HydrophobicContact CB-CD2 4.2Å; M155-F163 HydrophobicContact CB-CG 4.45Å; M155-F163 HydrophobicContact CE-CE1 4.26Å; M155-F163 HydrophobicContact CE-CE2 4.39Å; M155-F163 HydrophobicContact CE-CZ 3.9Å; M155-F163 HydrophobicContact CG-CD1 3.98Å; M155-F163 HydrophobicContact CG-CD2 3.53Å; M155-F163 HydrophobicContact CG-CE1 4.01Å; M155-F163 HydrophobicContact CG-CE2 3.56Å; M155-F163 HydrophobicContact CG-CG 3.74Å; M155-F163 HydrophobicContact CG-CZ 3.8Å; M155-F163 HydrophobicContact SD-CD2 4.17Å; M155-F163 HydrophobicContact SD-CE1 4.41Å; M155-F163 HydrophobicContact SD-CE2 3.59Å; M155-F163 VanDerWaalsContact SD-CE2 3.59Å; M155-F163 HydrophobicContact SD-CZ 3.72Å
156P91Very high91.9Very high56 Ų5659 Ų5936%0.36430%0.295SS..  trans-58.2148.6172.2-22.632.9000112.2F122 T158 H159 K160F122-P156 HydrophobicContact CE1-CG 3.7Å; F122-P156 HydrophobicContact CZ-CG 3.75Å; P156-T158 PolarHBondContact O-N 2.96Å; P156-H159 PolarHBondContact O-N 2.95Å; P156-K160 PolarHBondContact O-N 3.01Å
157L89.7Confident92Very high156 Ų15655.8 Ų55.882%0.81728%0.28SS*.Hα-helixtrans-51.1-30.1-179.8-67.9174.7000113.8H159 K160L157-H159 VanDerWaalsContact C-N 3.29Å; L157-H159 PolarHBondContact O-N 3.19Å; L157-K160 HydrophobicContact CD2-CD 4.3Å
158T88.9Confident92.1Very high98 Ų9857.1 Ų57.160%0.60129%0.287SS*.Hα-helixtrans-63.1-31.7177.955.60000113.5P156 H161P156-T158 PolarHBondContact O-N 2.96Å; T158-H161 PolarHBondContact O-CE1 3.26Å; T158-H161 VanDerWaalsContact O-CE1 3.26Å; T158-H161 PolarHBondContact O-ND1 3.34Å
159H90.2Very high92.1Very high30 Ų3061.1 Ų61.114%0.13930%0.302CS..Hα-helixtrans-114.6-5.9-177.3-55.5110.5000112.9F122 L123 P156 L157 H161 I162F122-H159 AromaticContact CD1-CE1 3.86Å; F122-H159 AromaticContact CD1-ND1 3.73Å; L123-H159 HydrophobicContact CD1-CB 4.22Å; P156-H159 PolarHBondContact O-N 2.95Å; L157-H159 VanDerWaalsContact C-N 3.29Å; L157-H159 PolarHBondContact O-N 3.19Å; H159-H161 VanDerWaalsContact C-N 3.26Å; H159-H161 PolarHBondContact O-N 3.34Å; H159-I162 WeakPolarHBondContact O-CB 3.22Å; H159-I162 PolarHBondContact O-N 2.89Å
160K90.8Very high92.2Very high79 Ų7957.4 Ų57.434%0.34328%0.284SS..Hα-helixtrans-53.2-41.6-176.3-178.2166.8-178161.40113.1P156 L157 I162 F163 D164P156-K160 PolarHBondContact O-N 3.01Å; L157-K160 HydrophobicContact CD2-CD 4.3Å; K160-I162 PolarHBondContact O-N 3.39Å; K160-F163 PolarHBondContact O-N 3.16Å; K160-F163 VanDerWaalsContact O-N 3.1Å; K160-D164 WeakPolarHBondContact CG-OD2 3.04Å; K160-D164 WeakPolarHBondContact O-CB 3.13Å; K160-D164 PolarHBondContact O-N 3.39Å
161H91.3Very high92.2Very high126 Ų12651.4 Ų51.458%0.58326%0.262SS*.Hα-helixtrans-57.8-31.2178.568.7-82.5000114T158 H159 G165T158-H161 PolarHBondContact O-CE1 3.26Å; T158-H161 VanDerWaalsContact O-CE1 3.26Å; T158-H161 PolarHBondContact O-ND1 3.34Å; H159-H161 VanDerWaalsContact C-N 3.26Å; H159-H161 PolarHBondContact O-N 3.34Å; H161-G165 PolarHBondContact O-N 3.15Å
162I92.5Very high92.2Very high21 Ų2151 Ų5111%0.10826%0.263CS..Hα-helixtrans-67.6-49.7176.9-57.3176.4000109.2V87 L123 H159 K160 G165 L166V87-I162 HydrophobicContact CG2-CD1 4.41Å; V87-I162 HydrophobicContact CG2-CG2 3.56Å; L123-I162 HydrophobicContact CD1-CD1 3.93Å; L123-I162 HydrophobicContact CD2-CD1 3.77Å; H159-I162 WeakPolarHBondContact O-CB 3.22Å; H159-I162 PolarHBondContact O-N 2.89Å; K160-I162 PolarHBondContact O-N 3.39Å; I162-G165 WeakPolarHBondContact O-CA 3.47Å; I162-G165 PolarHBondContact O-N 3.43Å; I162-G165 VanDerWaalsContact O-N 3.14Å; I162-L166 WeakPolarHBondContact O-CG 3.22Å; I162-L166 PolarHBondContact O-N 3.23Å
163F93.5Very high92.3Very high0 Ų051.1 Ų51.10%026%0.263CS..Hα-helixtrans-71.7-35.7-178-72.8-102.4000112.2L123 V127 M130 W151 A152 M155 K160 G165 L166 V167L123-F163 HydrophobicContact CD1-CE2 4.1Å; V127-F163 HydrophobicContact CG2-CZ 4.12Å; M130-F163 HydrophobicContact CE-CE1 4.31Å; M130-F163 HydrophobicContact SD-CD1 4.08Å; M130-F163 HydrophobicContact SD-CE1 3.7Å; W151-F163 HydrophobicContact CB-CD1 3.92Å; W151-F163 HydrophobicContact CB-CE1 3.94Å; A152-F163 HydrophobicContact CB-CB 3.78Å; M155-F163 HydrophobicContact CB-CD2 4.2Å; M155-F163 HydrophobicContact CB-CG 4.45Å; M155-F163 HydrophobicContact CE-CE1 4.26Å; M155-F163 HydrophobicContact CE-CE2 4.39Å; M155-F163 HydrophobicContact CE-CZ 3.9Å; M155-F163 HydrophobicContact CG-CD1 3.98Å; M155-F163 HydrophobicContact CG-CD2 3.53Å; M155-F163 HydrophobicContact CG-CE1 4.01Å; M155-F163 HydrophobicContact CG-CE2 3.56Å; M155-F163 HydrophobicContact CG-CG 3.74Å; M155-F163 HydrophobicContact CG-CZ 3.8Å; M155-F163 HydrophobicContact SD-CD2 4.17Å; M155-F163 HydrophobicContact SD-CE1 4.41Å; M155-F163 HydrophobicContact SD-CE2 3.59Å; M155-F163 VanDerWaalsContact SD-CE2 3.59Å; M155-F163 HydrophobicContact SD-CZ 3.72Å; K160-F163 PolarHBondContact O-N 3.16Å; K160-F163 VanDerWaalsContact O-N 3.1Å; F163-G165 PolarHBondContact O-N 3.12Å; F163-L166 HydrophobicContact CD1-CD1 4.23Å; F163-L166 WeakPolarHBondContact O-CB 3.48Å; F163-L166 PolarHBondContact O-N 3.29Å; F163-L166 VanDerWaalsContact O-N 3.11Å; F163-V167 WeakPolarHBondContact O-CG2 3.47Å; F163-V167 PolarHBondContact O-N 3.5Å
164D92.2Very high92.4Very high46 Ų4644.9 Ų44.925%0.24623%0.234CC..Hα-helixtrans-59.1-38.5169.1-70.5-14.2000110.5K160 V167 I168K160-D164 WeakPolarHBondContact CG-OD2 3.04Å; K160-D164 WeakPolarHBondContact O-CB 3.13Å; K160-D164 PolarHBondContact O-N 3.39Å; D164-V167 PolarHBondContact O-N 2.95Å; D164-I168 VanDerWaalsContact O-CG1 3.3Å; D164-I168 WeakPolarHBondContact O-CG1 3.44Å; D164-I168 PolarHBondContact O-N 3.46Å
165G93.2Very high92.5Very high22 Ų2239.7 Ų39.723%0.22721%0.207CC..Hα-helixtrans-61.1-41.3172.100000113.3H161 I162 F163 I168 R169H161-G165 PolarHBondContact O-N 3.15Å; I162-G165 WeakPolarHBondContact O-CA 3.47Å; I162-G165 PolarHBondContact O-N 3.43Å; I162-G165 VanDerWaalsContact O-N 3.14Å; F163-G165 PolarHBondContact O-N 3.12Å; G165-I168 PolarHBondContact O-N 2.73Å; G165-R169 PolarHBondContact O-N 3.36Å
166L94.6Very high92.5Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-64.5-41.5174.7-57.8178.3000112.1V79 E82 L83 M130 V148 I162 F163 I168 R169 C170V79-L166 HydrophobicContact CG1-CD2 4.45Å; E82-L166 HydrophobicContact CB-CD2 3.74Å; E82-L166 HydrophobicContact CG-CD2 3.67Å; L83-L166 HydrophobicContact CD2-CD1 3.66Å; L83-L166 HydrophobicContact CD2-CD2 3.92Å; L83-L166 HydrophobicContact CD2-CG 4.38Å; L83-L166 HydrophobicContact CG-CD1 4.17Å; L83-L166 HydrophobicContact CG-CD2 3.86Å; M130-L166 HydrophobicContact CE-CD1 3.67Å; M130-L166 HydrophobicContact SD-CD1 4.29Å; V148-L166 HydrophobicContact CG1-CB 3.53Å; I162-L166 WeakPolarHBondContact O-CG 3.22Å; I162-L166 PolarHBondContact O-N 3.23Å; F163-L166 HydrophobicContact CD1-CD1 4.23Å; F163-L166 WeakPolarHBondContact O-CB 3.48Å; F163-L166 PolarHBondContact O-N 3.29Å; F163-L166 VanDerWaalsContact O-N 3.11Å; L166-I168 VanDerWaalsContact C-N 3.34Å; L166-R169 WeakPolarHBondContact O-CB 3.44Å; L166-R169 PolarHBondContact O-N 2.95Å; L166-C170 PolarHBondContact O-N 2.87Å
167V93.2Very high92.7Very high7 Ų740.4 Ų40.44%0.04221%0.205CC..Hα-helixtrans-59.2-47.6174.51730000110.1L145 V148 A152 F163 D164 R169 C170 Q171L145-V167 HydrophobicContact CD1-CG1 4.38Å; V148-V167 HydrophobicContact CG1-CG2 3.81Å; A152-V167 HydrophobicContact CB-CG2 3.9Å; F163-V167 WeakPolarHBondContact O-CG2 3.47Å; F163-V167 PolarHBondContact O-N 3.5Å; D164-V167 PolarHBondContact O-N 2.95Å; V167-R169 VanDerWaalsContact C-N 3.28Å; V167-R169 PolarHBondContact O-N 3.46Å; V167-C170 PolarHBondContact O-N 3.05Å; V167-Q171 HydrophobicContact CG1-CG 4.45Å; V167-Q171 WeakPolarHBondContact O-CG 3.45Å; V167-Q171 PolarHBondContact O-N 3.3Å
168I93.3Very high92.9Very high40 Ų4033 Ų3321%0.20517%0.167CC..Hα-helixtrans-59.8-40.9176.7-67.6164.2000110.6D164 G165 L166 C170 Q171 L172D164-I168 VanDerWaalsContact O-CG1 3.3Å; D164-I168 WeakPolarHBondContact O-CG1 3.44Å; D164-I168 PolarHBondContact O-N 3.46Å; G165-I168 PolarHBondContact O-N 2.73Å; L166-I168 VanDerWaalsContact C-N 3.34Å; I168-C170 PolarHBondContact O-N 3.35Å; I168-Q171 WeakPolarHBondContact O-CB 3.43Å; I168-Q171 PolarHBondContact O-N 3.41Å; I168-Q171 VanDerWaalsContact O-N 3.16Å; I168-L172 HydrophobicContact CG2-CD1 4.35Å; I168-L172 HydrophobicContact CG2-CG 4.42Å; I168-L172 WeakPolarHBondContact O-CG 3.35Å; I168-L172 PolarHBondContact O-N 3.27Å
169R94.1Very high93.1Very high85 Ų8532.4 Ų32.432%0.32116%0.157SC..Hα-helixtrans-62-42.8178-173.170.6-151.1161.19112.1A78 E82 G165 L166 V167 L172 V173A78-R169 HydrophobicContact CB-CG 3.88Å; A78-R169 WeakPolarHBondContact O-CG 3.27Å; E82-R169 HydrophobicContact CB-CB 4.38Å; E82-R169 HydrophobicContact CB-CG 4.12Å; E82-R169 HydrophobicContact CG-CB 4.37Å; G165-R169 PolarHBondContact O-N 3.36Å; L166-R169 WeakPolarHBondContact O-CB 3.44Å; L166-R169 PolarHBondContact O-N 2.95Å; V167-R169 VanDerWaalsContact C-N 3.28Å; V167-R169 PolarHBondContact O-N 3.46Å; R169-L172 PolarHBondContact O-N 2.99Å; R169-V173 PolarHBondContact O-N 3.15Å
170C93.6Very high93.1Very high0 Ų035 Ų350%017%0.165CC..Hα-helixtrans-63.3-40.8172.6-70.10000112.3Y75 V79 L145 L166 V167 I168 L172 V173 L174Y75-C170 HydrophobicContact CD1-CB 4.2Å; Y75-C170 WeakPolarHBondContact CE1-O 3.31Å; V79-C170 WeakPolarHBondContact CG2-SG 3.17Å; L145-C170 HydrophobicContact CB-CB 4.22Å; L145-C170 HydrophobicContact CD1-CB 3.39Å; L145-C170 HydrophobicContact CG-CB 4.28Å; L166-C170 PolarHBondContact O-N 2.87Å; V167-C170 PolarHBondContact O-N 3.05Å; I168-C170 PolarHBondContact O-N 3.35Å; C170-L172 VanDerWaalsContact C-N 3.29Å; C170-L172 PolarHBondContact O-N 3.29Å; C170-V173 PolarHBondContact O-N 3.48Å; C170-L174 PolarHBondContact O-N 2.87Å; C170-L174 VanDerWaalsContact O-N 3.11Å
171Q92.9Very high93.2Very high5 Ų531.2 Ų31.22%0.02315%0.149CC..Hα-helixtrans-60.4-38.3175.6-74.1167.5-11.300111.7L145 V167 I168 V173 L174 F175 M266 R268 L270L145-Q171 HydrophobicContact CD1-CG 4.43Å; V167-Q171 HydrophobicContact CG1-CG 4.45Å; V167-Q171 WeakPolarHBondContact O-CG 3.45Å; V167-Q171 PolarHBondContact O-N 3.3Å; I168-Q171 WeakPolarHBondContact O-CB 3.43Å; I168-Q171 PolarHBondContact O-N 3.41Å; I168-Q171 VanDerWaalsContact O-N 3.16Å; Q171-V173 PolarHBondContact O-N 2.95Å; Q171-L174 WeakPolarHBondContact O-CB 3.37Å; Q171-L174 PolarHBondContact O-N 3Å; Q171-F175 PolarHBondContact O-N 3.12Å; Q171-M266 HydrophobicContact CB-CE 3.72Å; Q171-M266 WeakPolarHBondContact CB-O 3.23Å; Q171-M266 HydrophobicContact CG-CE 4.15Å; Q171-M266 WeakPolarHBondContact O-CE 3.13Å; Q171-M266 PolarHBondContact OE1-O 3.38Å; Q171-R268 PolarHBondContact OE1-O 3.15Å; Q171-L270 HydrophobicContact CG-CD1 3.92Å; Q171-L270 VanDerWaalsContact NE2-CD1 3.28Å; Q171-L270 VanDerWaalsContact NE2-CG 3.32Å
172L93.3Very high93.3Very high32 Ų3225.2 Ų25.217%0.16812%0.121CC..Hα-helixtrans-65.2-36.5175.9-68.8175.8000112.7I168 R169 C170 F175 E176 R267I168-L172 HydrophobicContact CG2-CD1 4.35Å; I168-L172 HydrophobicContact CG2-CG 4.42Å; I168-L172 WeakPolarHBondContact O-CG 3.35Å; I168-L172 PolarHBondContact O-N 3.27Å; R169-L172 PolarHBondContact O-N 2.99Å; C170-L172 VanDerWaalsContact C-N 3.29Å; C170-L172 PolarHBondContact O-N 3.29Å; L172-F175 WeakPolarHBondContact O-CB 3.49Å; L172-F175 PolarHBondContact O-N 3.08Å; L172-E176 WeakPolarHBondContact O-CG 3.49Å; L172-E176 PolarHBondContact O-N 3.18Å; L172-R267 HydrophobicContact CD2-CG 3.95Å
173V94.1Very high93.1Very high9 Ų925.2 Ų25.26%0.05512%0.123CC..Hα-helixtrans-63.5-43172.4179.10000110.9A74 Y75 A78 R169 C170 Q171 F175 E176 Q177A74-V173 HydrophobicContact CB-CG1 3.96Å; Y75-V173 HydrophobicContact CD1-CB 4.11Å; Y75-V173 HydrophobicContact CD1-CG1 4.13Å; Y75-V173 HydrophobicContact CD2-CG1 3.91Å; Y75-V173 HydrophobicContact CE1-CB 4.07Å; Y75-V173 HydrophobicContact CE1-CG1 4.08Å; Y75-V173 HydrophobicContact CE2-CG1 3.86Å; Y75-V173 HydrophobicContact CG-CB 4.46Å; Y75-V173 HydrophobicContact CG-CG1 4.05Å; A78-V173 HydrophobicContact CB-CG2 3.45Å; A78-V173 VanDerWaalsContact CB-CG2 3.45Å; R169-V173 PolarHBondContact O-N 3.15Å; C170-V173 PolarHBondContact O-N 3.48Å; Q171-V173 PolarHBondContact O-N 2.95Å; V173-F175 VanDerWaalsContact C-N 3.31Å; V173-F175 PolarHBondContact O-N 3.15Å; V173-E176 PolarHBondContact O-N 2.97Å; V173-Q177 WeakPolarHBondContact O-CG 3.44Å; V173-Q177 PolarHBondContact O-N 3.21Å; V173-Q177 VanDerWaalsContact O-N 3.13Å
174L93.8Very high92.5Very high0 Ų028.7 Ų28.70%014%0.141CC..Hα-helixtrans-62.7-39.5174.417961.9000111.8Y75 C170 Q171 Q177 L178 F193 F194 P214 F216 I217 M266Y75-L174 HydrophobicContact CE1-CB 4.16Å; Y75-L174 VanDerWaalsContact OH-CA 3.29Å; Y75-L174 WeakPolarHBondContact OH-CA 3.43Å; Y75-L174 WeakPolarHBondContact OH-CB 3.49Å; Y75-L174 WeakPolarHBondContact OH-CD1 3.22Å; C170-L174 PolarHBondContact O-N 2.87Å; C170-L174 VanDerWaalsContact O-N 3.11Å; Q171-L174 WeakPolarHBondContact O-CB 3.37Å; Q171-L174 PolarHBondContact O-N 3Å; L174-Q177 PolarHBondContact O-N 2.79Å; L174-L178 HydrophobicContact CD1-CD1 4.33Å; L174-L178 HydrophobicContact CD1-CG 4.32Å; L174-L178 HydrophobicContact CG-CD1 3.94Å; L174-L178 HydrophobicContact CG-CG 4.39Å; L174-L178 WeakPolarHBondContact O-CB 3.45Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.37Å; L174-F193 HydrophobicContact CD1-CD2 4.4Å; L174-F193 HydrophobicContact CD1-CE2 4.13Å; L174-F194 HydrophobicContact CD1-CE1 4.23Å; L174-P214 HydrophobicContact CD1-CG 4.47Å; L174-P214 HydrophobicContact CD2-CG 3.82Å; L174-F216 HydrophobicContact CD2-CE2 4.04Å; L174-F216 HydrophobicContact CD2-CZ 3.62Å; L174-I217 HydrophobicContact CD2-CD1 4.21Å; L174-M266 HydrophobicContact CB-CE 4.04Å; L174-M266 HydrophobicContact CD2-CE 3.83Å; L174-M266 HydrophobicContact CG-CE 4.07Å
175F93.9Very high91.8Very high8 Ų829.6 Ų29.64%0.03515%0.151CC..Hα-helixtrans-59.7-46.8175170.4-100.1000111.5Q171 L172 V173 Q177 L178 E179 I259 L262 H263 M266Q171-F175 PolarHBondContact O-N 3.12Å; L172-F175 WeakPolarHBondContact O-CB 3.49Å; L172-F175 PolarHBondContact O-N 3.08Å; V173-F175 VanDerWaalsContact C-N 3.31Å; V173-F175 PolarHBondContact O-N 3.15Å; F175-Q177 VanDerWaalsContact C-N 3.26Å; F175-Q177 PolarHBondContact O-N 2.9Å; F175-L178 CarbonylContact O-C 3.58Å; F175-L178 PolarHBondContact O-N 3.33Å; F175-L178 VanDerWaalsContact O-N 3.15Å; F175-E179 HydrophobicContact CE1-CB 4.41Å; F175-E179 WeakPolarHBondContact CE1-OE2 3.34Å; F175-E179 HydrophobicContact CZ-CB 4.23Å; F175-E179 HydrophobicContact CZ-CG 4.43Å; F175-E179 WeakPolarHBondContact O-CB 3.41Å; F175-E179 PolarHBondContact O-N 3.2Å; F175-I259 HydrophobicContact CE2-CG2 4.37Å; F175-I259 HydrophobicContact CZ-CG2 4.21Å; F175-L262 HydrophobicContact CD2-CD2 3.97Å; F175-L262 HydrophobicContact CD2-CG 3.9Å; F175-L262 HydrophobicContact CE2-CB 4.31Å; F175-L262 HydrophobicContact CE2-CD2 4.14Å; F175-L262 HydrophobicContact CE2-CG 4.15Å; F175-H263 HydrophobicContact CD2-CB 4.19Å; F175-H263 HydrophobicContact CE1-CB 4.13Å; F175-H263 AromaticContact CE1-CD2 3.97Å; F175-H263 AromaticContact CE1-CG 3.84Å; F175-H263 HydrophobicContact CE2-CB 3.56Å; F175-H263 HydrophobicContact CZ-CB 3.54Å; F175-H263 AromaticContact CZ-CG 3.76Å; F175-M266 HydrophobicContact CB-CB 4.18Å; F175-M266 HydrophobicContact CB-CG 4.15Å; F175-M266 HydrophobicContact CD2-CG 4.41Å
176E93.3Very high90.8Very high76 Ų7632.2 Ų32.236%0.35517%0.17SC..Hα-helixtrans-59.3-38.6176.7-71.2175.9-161.800111.9L172 V173 R180L172-E176 WeakPolarHBondContact O-CG 3.49Å; L172-E176 PolarHBondContact O-N 3.18Å; V173-E176 PolarHBondContact O-N 2.97Å; E176-R180 VanDerWaalsContact O-CG 3.31Å; E176-R180 WeakPolarHBondContact O-CG 3.44Å; E176-R180 PolarHBondContact O-N 3.33Å; E176-R180 VanDerWaalsContact O-N 3.1Å; E176-R180 IonicContact OE2-NH2 3.77Å
177Q93.4Very high89.8Confident9 Ų936 Ų364%0.04219%0.188CC..Hα-helixtrans-67.4-42.9175.2-67.7179-23.400112Y75 V173 L174 F175 R180 W181 F193Y75-Q177 PolarHBondContact OH-OE1 3.31Å; V173-Q177 WeakPolarHBondContact O-CG 3.44Å; V173-Q177 PolarHBondContact O-N 3.21Å; V173-Q177 VanDerWaalsContact O-N 3.13Å; L174-Q177 PolarHBondContact O-N 2.79Å; F175-Q177 VanDerWaalsContact C-N 3.26Å; F175-Q177 PolarHBondContact O-N 2.9Å; Q177-R180 PolarHBondContact O-N 2.94Å; Q177-W181 WeakPolarHBondContact O-CB 3.46Å; Q177-W181 PolarHBondContact O-N 3.1Å; Q177-F193 HydrophobicContact CB-CD2 3.61Å; Q177-F193 HydrophobicContact CB-CE2 3.94Å; Q177-F193 HydrophobicContact CB-CG 4.19Å; Q177-F193 HydrophobicContact CG-CD2 4.37Å
178L94.2Very high88.8Confident1 Ų143.3 Ų43.31%0.00522%0.215CC..Hα-helixtrans-64.9-42175.7-74.2167.3000111.6L174 F175 R180 W181 L182 F193 F194 I225 L262L174-L178 HydrophobicContact CD1-CD1 4.33Å; L174-L178 HydrophobicContact CD1-CG 4.32Å; L174-L178 HydrophobicContact CG-CD1 3.94Å; L174-L178 HydrophobicContact CG-CG 4.39Å; L174-L178 WeakPolarHBondContact O-CB 3.45Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.37Å; F175-L178 CarbonylContact O-C 3.58Å; F175-L178 PolarHBondContact O-N 3.33Å; F175-L178 VanDerWaalsContact O-N 3.15Å; L178-R180 PolarHBondContact O-N 2.97Å; L178-W181 WeakPolarHBondContact O-CB 3.47Å; L178-W181 PolarHBondContact O-N 2.97Å; L178-L182 HydrophobicContact CB-CD1 4.26Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 WeakPolarHBondContact O-CD1 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.31Å; L178-F193 HydrophobicContact CD2-CE2 4.08Å; L178-F193 HydrophobicContact CD2-CZ 3.94Å; L178-F193 HydrophobicContact CG-CE2 4.29Å; L178-F194 HydrophobicContact CD2-CE1 4.48Å; L178-F194 HydrophobicContact CD2-CZ 4.37Å; L178-I225 HydrophobicContact CD2-CD1 4.25Å; L178-I225 HydrophobicContact CD2-CG2 3.7Å; L178-L262 HydrophobicContact CB-CD2 4.1Å; L178-L262 HydrophobicContact CD1-CD2 4.18Å
179E93.2Very high88.2Confident85 Ų8543.1 Ų43.140%0.39721%0.214SC..Hα-helixtrans-61.1-44.4177.6-176.3176-144.500111F175 W181 L182 S183 I259F175-E179 HydrophobicContact CE1-CB 4.41Å; F175-E179 WeakPolarHBondContact CE1-OE2 3.34Å; F175-E179 HydrophobicContact CZ-CB 4.23Å; F175-E179 HydrophobicContact CZ-CG 4.43Å; F175-E179 WeakPolarHBondContact O-CB 3.41Å; F175-E179 PolarHBondContact O-N 3.2Å; E179-W181 VanDerWaalsContact C-N 3.35Å; E179-L182 PolarHBondContact O-N 3.34Å; E179-S183 PolarHBondContact O-N 2.9Å; E179-I259 HydrophobicContact CG-CG2 4.43Å
180R91.3Very high87.5Confident83 Ų8339.9 Ų39.931%0.31320%0.204SC..Hα-helixtrans-66.2-34173.3-70.6176.6-165.1163.811.7113.3E176 Q177 L178 S183 H187E176-R180 VanDerWaalsContact O-CG 3.31Å; E176-R180 WeakPolarHBondContact O-CG 3.44Å; E176-R180 PolarHBondContact O-N 3.33Å; E176-R180 VanDerWaalsContact O-N 3.1Å; E176-R180 IonicContact OE2-NH2 3.77Å; Q177-R180 PolarHBondContact O-N 2.94Å; L178-R180 PolarHBondContact O-N 2.97Å; R180-S183 PolarHBondContact O-OG 3.48Å; R180-H187 HydrophobicContact CB-CB 4.25Å
181W93.2Very high87Confident0 Ų043 Ų430%022%0.22CC..Hα-helixtrans-68.4-39.9174.7174.6-115.1000111.5Q177 L178 E179 M189 F193 I195 Y206 I225 L226 L230 K233Q177-W181 WeakPolarHBondContact O-CB 3.46Å; Q177-W181 PolarHBondContact O-N 3.1Å; L178-W181 WeakPolarHBondContact O-CB 3.47Å; L178-W181 PolarHBondContact O-N 2.97Å; E179-W181 VanDerWaalsContact C-N 3.35Å; W181-M189 HydrophobicContact CB-CE 3.68Å; W181-M189 HydrophobicContact CB-SD 4.39Å; W181-M189 HydrophobicContact CE3-CE 4.19Å; W181-M189 HydrophobicContact CE3-CG 4.41Å; W181-M189 HydrophobicContact CE3-SD 4.19Å; W181-M189 HydrophobicContact CG-CE 4.45Å; W181-F193 HydrophobicContact CB-CE1 3.89Å; W181-F193 HydrophobicContact CB-CZ 4.1Å; W181-F193 HydrophobicContact CD2-CE1 4.4Å; W181-F193 HydrophobicContact CG-CE1 4Å; W181-F193 HydrophobicContact CG-CZ 4.32Å; W181-I195 HydrophobicContact CD2-CD1 4.11Å; W181-I195 HydrophobicContact CD2-CG2 4.45Å; W181-I195 HydrophobicContact CE3-CG2 4.26Å; W181-I195 HydrophobicContact CG-CD1 4.27Å; W181-I195 HydrophobicContact CH2-CG2 3.94Å; W181-I195 HydrophobicContact CZ2-CD1 4.26Å; W181-I195 HydrophobicContact CZ2-CG2 4.13Å; W181-I195 HydrophobicContact CZ3-CG2 3.98Å; W181-Y206 AromaticContact CH2-CD1 3.9Å; W181-Y206 HydrophobicContact CH2-CD1 3.9Å; W181-Y206 AromaticContact CH2-CD2 3.92Å; W181-Y206 HydrophobicContact CH2-CD2 3.92Å; W181-Y206 HydrophobicContact CH2-CE1 4.1Å; W181-Y206 HydrophobicContact CH2-CE2 4.11Å; W181-Y206 AromaticContact CH2-CG 3.79Å; W181-Y206 HydrophobicContact CH2-CG 3.79Å; W181-Y206 AromaticContact CZ3-CD1 3.66Å; W181-Y206 HydrophobicContact CZ3-CD1 3.66Å; W181-Y206 HydrophobicContact CZ3-CD2 4.33Å; W181-Y206 AromaticContact CZ3-CE1 3.54Å; W181-Y206 HydrophobicContact CZ3-CE1 3.54Å; W181-Y206 HydrophobicContact CZ3-CE2 4.22Å; W181-Y206 HydrophobicContact CZ3-CG 4.06Å; W181-Y206 AromaticContact CZ3-CZ 3.82Å; W181-I225 PolarHBondContact NE1-O 3.47Å; W181-L226 HydrophobicContact CH2-CD1 4.13Å; W181-L226 HydrophobicContact CZ2-CD1 3.83Å; W181-L226 WeakPolarHBondContact CZ2-O 3.44Å; W181-L230 HydrophobicContact CH2-CD2 4.2Å; W181-L230 HydrophobicContact CH2-CG 4.44Å; W181-L230 HydrophobicContact CZ2-CG 4.34Å; W181-K233 PolarHBondContact O-NZ 2.97Å
182L92.6Very high86.9Confident1 Ų142.8 Ų42.81%0.00522%0.22CC..Hα-helixtrans-88.9-4.6-173.3-64.4164.4000112.4L178 E179 I228 I232 H255 L262 F279 W282L178-L182 HydrophobicContact CB-CD1 4.26Å; L178-L182 WeakPolarHBondContact O-CB 3.32Å; L178-L182 WeakPolarHBondContact O-CD1 3.31Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3.31Å; E179-L182 PolarHBondContact O-N 3.34Å; L182-I228 HydrophobicContact CD2-CB 4.16Å; L182-I228 HydrophobicContact CD2-CG2 3.54Å; L182-I232 WeakPolarHBondContact O-CG2 3.44Å; L182-H255 PolarHBondContact O-CE1 2.77Å; L182-H255 PolarHBondContact O-NE2 3.38Å; L182-H255 VanDerWaalsContact O-NE2 3.1Å; L182-L262 HydrophobicContact CD1-CD2 4.28Å; L182-F279 HydrophobicContact CD1-CE1 4.44Å; L182-W282 HydrophobicContact CB-CH2 4.4Å; L182-W282 HydrophobicContact CD1-CH2 3.57Å; L182-W282 HydrophobicContact CD1-CZ2 4.4Å; L182-W282 HydrophobicContact CD1-CZ3 3.74Å; L182-W282 HydrophobicContact CD2-CH2 4.44Å; L182-W282 HydrophobicContact CG-CH2 4.35Å
183S87.7Confident86.8Confident21 Ų2141.3 Ų41.315%0.14721%0.212CC..SBendtrans-65.4152.4173.962.40000112.4E179 R180 S185 H187E179-S183 PolarHBondContact O-N 2.9Å; R180-S183 PolarHBondContact O-OG 3.48Å; S183-S185 VanDerWaalsContact C-N 3.28Å; S183-S185 PolarHBondContact O-N 3.3Å; S183-S185 PolarHBondContact OG-O 2.9Å; S183-H187 PolarHBondContact OG-CE1 3.47Å; S183-H187 PolarHBondContact OG-ND1 2.94Å
184L81.1Confident86.8Confident73 Ų7341 Ų4138%0.38221%0.21SC..SBendtrans-61-34176.9-68.8160000113.2I232 L252L184-I232 HydrophobicContact CD2-CG2 3.8Å; L184-I232 HydrophobicContact CG-CG2 4.28Å; L184-L252 HydrophobicContact CD1-CD2 3.96Å; L184-L252 HydrophobicContact CD2-CD2 3.67Å; L184-L252 HydrophobicContact CG-CD2 4.36Å
185S77Confident86.7Confident64 Ų6441 Ų4145%0.44821%0.21SC..SBendtrans-91150.8177.150.90000112.1S183 H187S183-S185 VanDerWaalsContact C-N 3.28Å; S183-S185 PolarHBondContact O-N 3.3Å; S183-S185 PolarHBondContact OG-O 2.9Å; S185-H187 PolarHBondContact O-N 3.47Å; S185-H187 PolarHBondContact O-ND1 3.29Å; S185-H187 PolarHBondContact OG-CE1 3.43Å; S185-H187 PolarHBondContact OG-NE2 3.03Å
186A72.7Confident86.4Confident77 Ų7742.7 Ų42.764%0.63622%0.218SC*.  trans-70.2116.4170.800000110
187H74.1Confident85.9Confident80 Ų8041.9 Ų41.937%0.3722%0.219SC..  trans-106.9157.5171.4-65.196.1000110.9R180 S183 S185 M189R180-H187 HydrophobicContact CB-CB 4.25Å; S183-H187 PolarHBondContact OG-CE1 3.47Å; S183-H187 PolarHBondContact OG-ND1 2.94Å; S185-H187 PolarHBondContact O-N 3.47Å; S185-H187 PolarHBondContact O-ND1 3.29Å; S185-H187 PolarHBondContact OG-CE1 3.43Å; S185-H187 PolarHBondContact OG-NE2 3.03Å; H187-M189 PolarHBondContact O-N 3.12Å
188W71.7Confident85.1Confident161 Ų16147 Ų4761%0.6124%0.242SC*.PPolyproline II helixtrans-62.2130.2170.270.4-84000109.9
189M80.1Confident83.8Confident36 Ų3651.6 Ų51.618%0.17727%0.266CS..PPolyproline II helixtrans-97140.2176-59-52-65.800109.7W181 H187 F193W181-M189 HydrophobicContact CB-CE 3.68Å; W181-M189 HydrophobicContact CB-SD 4.39Å; W181-M189 HydrophobicContact CE3-CE 4.19Å; W181-M189 HydrophobicContact CE3-CG 4.41Å; W181-M189 HydrophobicContact CE3-SD 4.19Å; W181-M189 HydrophobicContact CG-CE 4.45Å; H187-M189 PolarHBondContact O-N 3.12Å; M189-F193 HydrophobicContact CE-CB 4.46Å; M189-F193 HydrophobicContact CE-CD1 3.08Å; M189-F193 HydrophobicContact CE-CE1 3.29Å; M189-F193 HydrophobicContact CE-CG 3.9Å; M189-F193 HydrophobicContact CE-CZ 4.25Å
190S79.8Confident82.1Confident17 Ų1752.8 Ų52.812%0.11929%0.291CS..PPolyproline II helixtrans-70.7146.7174.8169.80000110.6E192 F193S190-E192 PolarHBondContact O-N 3.49Å; S190-E192 VanDerWaalsContact O-N 3.17Å; S190-E192 PolarHBondContact OG-N 3.31Å; S190-E192 VanDerWaalsContact OG-N 3.12Å; S190-F193 WeakPolarHBondContact O-CB 3.44Å; S190-F193 PolarHBondContact O-N 3.39Å
191D84.7Confident79.7Confident64 Ų6453.9 Ų53.934%0.34231%0.309SS..THydrogen-bonded Turntrans-61.6-13.5169.862.6-33.2000113.5R140 Q196R140-D191 IonicContact CZ-OD2 3.96Å; R140-D191 IonicContact NH1-OD2 2.79Å; R140-D191 PolarHBondContact NH1-OD2 2.92Å; R140-D191 IonicContact NH2-OD1 3.69Å; R140-D191 PolarHBondContact NH2-OD1 3.19Å; R140-D191 IonicContact NH2-OD2 3.69Å; R140-D191 PolarHBondContact NH2-OD2 3.34Å; D191-Q196 PolarHBondContact O-NE2 2.92Å
192E88.8Confident77.4Confident2 Ų263.6 Ų63.61%0.00936%0.355CS..THydrogen-bonded Turntrans-92.5-4174.5-57.4-162.813500113.6S73 A74 Y75 R140 G141 S190S73-E192 WeakPolarHBondContact CA-OE1 3.43Å; S73-E192 WeakPolarHBondContact CA-OE2 3.4Å; S73-E192 WeakPolarHBondContact CB-OE1 3.44Å; S73-E192 VanDerWaalsContact OG-CD 3.27Å; S73-E192 PolarHBondContact OG-OE1 3.05Å; S73-E192 PolarHBondContact OG-OE2 3.03Å; S73-E192 VanDerWaalsContact OG-OE2 3.1Å; A74-E192 PolarHBondContact N-OE2 3.05Å; Y75-E192 HydrophobicContact CD2-CB 4.42Å; Y75-E192 HydrophobicContact CE2-CB 4.34Å; R140-E192 VanDerWaalsContact CB-OE1 3.31Å; R140-E192 WeakPolarHBondContact CB-OE1 3.39Å; R140-E192 IonicContact CZ-OE1 3.36Å; R140-E192 IonicContact NE-OE1 3.44Å; R140-E192 PolarHBondContact NE-OE1 3.35Å; R140-E192 IonicContact NH2-OE1 3.71Å; R140-E192 PolarHBondContact NH2-OE1 2.94Å; G141-E192 PolarHBondContact N-OE1 3.43Å; S190-E192 PolarHBondContact O-N 3.49Å; S190-E192 VanDerWaalsContact O-N 3.17Å; S190-E192 PolarHBondContact OG-N 3.31Å; S190-E192 VanDerWaalsContact OG-N 3.12Å
193F92.6Very high75.4Confident0 Ų065.2 Ų65.20%037%0.367CS..SBendtrans-85.5144175.5-169.8-126.1000110.7L174 Q177 L178 W181 M189 S190 I195 Q196L174-F193 HydrophobicContact CD1-CD2 4.4Å; L174-F193 HydrophobicContact CD1-CE2 4.13Å; Q177-F193 HydrophobicContact CB-CD2 3.61Å; Q177-F193 HydrophobicContact CB-CE2 3.94Å; Q177-F193 HydrophobicContact CB-CG 4.19Å; Q177-F193 HydrophobicContact CG-CD2 4.37Å; L178-F193 HydrophobicContact CD2-CE2 4.08Å; L178-F193 HydrophobicContact CD2-CZ 3.94Å; L178-F193 HydrophobicContact CG-CE2 4.29Å; W181-F193 HydrophobicContact CB-CE1 3.89Å; W181-F193 HydrophobicContact CB-CZ 4.1Å; W181-F193 HydrophobicContact CD2-CE1 4.4Å; W181-F193 HydrophobicContact CG-CE1 4Å; W181-F193 HydrophobicContact CG-CZ 4.32Å; M189-F193 HydrophobicContact CE-CB 4.46Å; M189-F193 HydrophobicContact CE-CD1 3.08Å; M189-F193 HydrophobicContact CE-CE1 3.29Å; M189-F193 HydrophobicContact CE-CG 3.9Å; M189-F193 HydrophobicContact CE-CZ 4.25Å; S190-F193 WeakPolarHBondContact O-CB 3.44Å; S190-F193 PolarHBondContact O-N 3.39Å; F193-I195 HydrophobicContact CD1-CB 3.76Å; F193-I195 HydrophobicContact CD1-CG1 4.34Å; F193-I195 WeakPolarHBondContact CD1-O 3.47Å; F193-I195 HydrophobicContact CE1-CB 3.53Å; F193-I195 HydrophobicContact CE1-CD1 3.87Å; F193-I195 HydrophobicContact CE1-CG1 3.76Å; F193-I195 HydrophobicContact CZ-CB 4.47Å; F193-I195 HydrophobicContact CZ-CD1 4.13Å; F193-I195 HydrophobicContact CZ-CG1 4.23Å; F193-I195 PolarHBondContact O-N 2.98Å; F193-Q196 WeakPolarHBondContact O-CG 3.29Å; F193-Q196 PolarHBondContact O-NE2 3.41Å; F193-Q196 VanDerWaalsContact O-NE2 3.14Å
194F93.1Very high74.1Confident2 Ų270.2 Ų70.21%0.00940%0.396CS..SBendtrans-74.2-10.6-176.665.9-91.6000114L174 L178 I208 V209 M212 I213 I217 A222 I225L174-F194 HydrophobicContact CD1-CE1 4.23Å; L178-F194 HydrophobicContact CD2-CE1 4.48Å; L178-F194 HydrophobicContact CD2-CZ 4.37Å; F194-I208 HydrophobicContact CD2-CG2 4.33Å; F194-I208 CarbonylContact O-C 3.59Å; F194-I208 VanDerWaalsContact O-CA 3.31Å; F194-I208 WeakPolarHBondContact O-CA 3.45Å; F194-V209 PolarHBondContact O-N 3.27Å; F194-M212 HydrophobicContact CB-CB 3.93Å; F194-I213 HydrophobicContact CB-CG1 3.99Å; F194-I213 HydrophobicContact CD2-CG1 4.36Å; F194-I213 HydrophobicContact CG-CG1 4.33Å; F194-I217 HydrophobicContact CE1-CD1 4.25Å; F194-I217 HydrophobicContact CZ-CD1 4.49Å; F194-A222 HydrophobicContact CD2-CB 4.3Å; F194-A222 HydrophobicContact CE2-CB 3.94Å; F194-I225 HydrophobicContact CZ-CD1 3.96Å; F194-I225 HydrophobicContact CZ-CG2 4.16Å
195I91.5Very high73.6Confident0 Ų068.6 Ų68.60%039%0.391CS..EExtended strand (participates in β ladder)trans-106.5119.4171.7-54.3176.4000108.8W181 F193 Y206 K207 I225 L226W181-I195 HydrophobicContact CD2-CD1 4.11Å; W181-I195 HydrophobicContact CD2-CG2 4.45Å; W181-I195 HydrophobicContact CE3-CG2 4.26Å; W181-I195 HydrophobicContact CG-CD1 4.27Å; W181-I195 HydrophobicContact CH2-CG2 3.94Å; W181-I195 HydrophobicContact CZ2-CD1 4.26Å; W181-I195 HydrophobicContact CZ2-CG2 4.13Å; W181-I195 HydrophobicContact CZ3-CG2 3.98Å; F193-I195 HydrophobicContact CD1-CB 3.76Å; F193-I195 HydrophobicContact CD1-CG1 4.34Å; F193-I195 WeakPolarHBondContact CD1-O 3.47Å; F193-I195 HydrophobicContact CE1-CB 3.53Å; F193-I195 HydrophobicContact CE1-CD1 3.87Å; F193-I195 HydrophobicContact CE1-CG1 3.76Å; F193-I195 HydrophobicContact CZ-CB 4.47Å; F193-I195 HydrophobicContact CZ-CD1 4.13Å; F193-I195 HydrophobicContact CZ-CG1 4.23Å; F193-I195 PolarHBondContact O-N 2.98Å; I195-Y206 HydrophobicContact CG2-CD1 4.05Å; I195-Y206 HydrophobicContact CG2-CG 4.31Å; I195-K207 WeakPolarHBondContact CA-O 3.29Å; I195-I225 HydrophobicContact CD1-CG2 3.89Å; I195-L226 HydrophobicContact CD1-CB 4.14Å; I195-L226 HydrophobicContact CG2-CD1 3.84Å
196Q88.6Confident74Confident44 Ų4467.9 Ų67.921%0.20638%0.379CS..EExtended strand (participates in β ladder)trans-131.6151.6-176.3-62.1-173.10.300110.8D191 F193 Y206 K207 V209D191-Q196 PolarHBondContact O-NE2 2.92Å; F193-Q196 WeakPolarHBondContact O-CG 3.29Å; F193-Q196 PolarHBondContact O-NE2 3.41Å; F193-Q196 VanDerWaalsContact O-NE2 3.14Å; Q196-Y206 CarbonylContact O-C 3.37Å; Q196-Y206 WeakPolarHBondContact O-CA 3.38Å; Q196-K207 PolarHBondContact N-O 2.88Å; Q196-K207 WeakPolarHBondContact O-CG 3.37Å; Q196-K207 PolarHBondContact O-N 2.96Å; Q196-V209 HydrophobicContact CB-CG2 4.16Å; Q196-V209 HydrophobicContact CG-CG2 3.92Å
197P82.9Confident74.7Confident59 Ų5968.6 Ų68.638%0.38337%0.368SS..EExtended strand (participates in β ladder)trans-62.2145.4172.427.4-34000110.4D199P197-D199 VanDerWaalsContact C-N 3.35Å
198K76.1Confident75.5Confident118 Ų11866.3 Ų66.351%0.51336%0.358SS..SBendtrans-67.7-39.4175.9-74.3-173.8179.61790111.5S205 Y206 K207K198-S205 PolarHBondContact N-O 2.96Å; K198-Y206 WeakPolarHBondContact CE-O 3.33Å; K198-K207 HydrophobicContact CG-CB 3.85Å; K198-K207 HydrophobicContact CG-CD 4.21Å; K198-K207 HydrophobicContact CG-CG 4.09Å
199D67.4Low76.4Confident96 Ų9660.3 Ų60.351%0.51334%0.339SS..SBendtrans-121.6143.4-178.5-59.3-48.2000111.2P197 C201P197-D199 VanDerWaalsContact C-N 3.35Å; D199-C201 PolarHBondContact O-N 3.49Å
200A56.5Low76.9Confident111 Ų11165.6 Ų65.692%0.91736%0.361SS*.THydrogen-bonded Turntrans-64.6-20-178.200000113.7
201C42Very low77.3Confident105 Ų10571.7 Ų71.771%0.70939%0.388SS*.THydrogen-bonded Turntrans-99.3103.9175.2-83.80000110.2D199 S203D199-C201 PolarHBondContact O-N 3.49Å; C201-S203 PolarHBondContact O-N 3.48Å; C201-S203 PolarHBondContact O-OG 2.7Å
202Q44.5Very low77.5Confident204 Ų20470.7 Ų70.795%0.95338%0.381SS*.THydrogen-bonded Turntrans30.448.1155.3-63.3-176-0.200116.5
203S50.5Low77.7Confident36 Ų3671.3 Ų71.325%0.25239%0.385SS..  trans-95130.4178.1-66.80000108.4C201 S205C201-S203 PolarHBondContact O-N 3.48Å; C201-S203 PolarHBondContact O-OG 2.7Å; S203-S205 PolarHBondContact O-N 3.14Å
204T60.6Low77.6Confident126 Ų12671.4 Ų71.477%0.77339%0.385SS*.SBendtrans-62-0.9170.150.30000112.6Y206T204-Y206 WeakPolarHBondContact O-CD2 3.48Å
205S71.5Confident77.3Confident39 Ų3975.4 Ų75.427%0.27341%0.413SS..  trans-94.9123178.573.10000111.5K198 S203K198-S205 PolarHBondContact N-O 2.96Å; S203-S205 PolarHBondContact O-N 3.14Å
206Y84Confident77.1Confident48 Ų4876.5 Ų76.519%0.18842%0.418CS..EExtended strand (participates in β ladder)trans-114.4156.8177.3-65.8-96.4000110W181 I195 Q196 K198 T204 L230W181-Y206 AromaticContact CH2-CD1 3.9Å; W181-Y206 HydrophobicContact CH2-CD1 3.9Å; W181-Y206 AromaticContact CH2-CD2 3.92Å; W181-Y206 HydrophobicContact CH2-CD2 3.92Å; W181-Y206 HydrophobicContact CH2-CE1 4.1Å; W181-Y206 HydrophobicContact CH2-CE2 4.11Å; W181-Y206 AromaticContact CH2-CG 3.79Å; W181-Y206 HydrophobicContact CH2-CG 3.79Å; W181-Y206 AromaticContact CZ3-CD1 3.66Å; W181-Y206 HydrophobicContact CZ3-CD1 3.66Å; W181-Y206 HydrophobicContact CZ3-CD2 4.33Å; W181-Y206 AromaticContact CZ3-CE1 3.54Å; W181-Y206 HydrophobicContact CZ3-CE1 3.54Å; W181-Y206 HydrophobicContact CZ3-CE2 4.22Å; W181-Y206 HydrophobicContact CZ3-CG 4.06Å; W181-Y206 AromaticContact CZ3-CZ 3.82Å; I195-Y206 HydrophobicContact CG2-CD1 4.05Å; I195-Y206 HydrophobicContact CG2-CG 4.31Å; Q196-Y206 CarbonylContact O-C 3.37Å; Q196-Y206 WeakPolarHBondContact O-CA 3.38Å; K198-Y206 WeakPolarHBondContact CE-O 3.33Å; T204-Y206 WeakPolarHBondContact O-CD2 3.48Å; Y206-L230 HydrophobicContact CD2-CD2 3.61Å; Y206-L230 HydrophobicContact CE2-CD2 4.05Å
207K87.2Confident77.2Confident92 Ų9274.7 Ų74.740%0.441%0.41SS..EExtended strand (participates in β ladder)trans-132.4152.5175.961.4179.5179.5-166.90110.6I195 Q196 K198I195-K207 WeakPolarHBondContact CA-O 3.29Å; Q196-K207 PolarHBondContact N-O 2.88Å; Q196-K207 WeakPolarHBondContact O-CG 3.37Å; Q196-K207 PolarHBondContact O-N 2.96Å; K198-K207 HydrophobicContact CG-CB 3.85Å; K198-K207 HydrophobicContact CG-CD 4.21Å; K198-K207 HydrophobicContact CG-CG 4.09Å
208I91.1Very high77.6Confident33 Ų3373.9 Ų73.917%0.16941%0.412CS..EExtended strand (participates in β ladder)trans-90.8125172-61.6175.7000108.9F194 I213 A222 E223 L226F194-I208 HydrophobicContact CD2-CG2 4.33Å; F194-I208 CarbonylContact O-C 3.59Å; F194-I208 VanDerWaalsContact O-CA 3.31Å; F194-I208 WeakPolarHBondContact O-CA 3.45Å; I208-I213 HydrophobicContact CG2-CD1 3.56Å; I208-I213 HydrophobicContact CG2-CG1 4.01Å; I208-A222 HydrophobicContact CD1-CB 3.9Å; I208-A222 HydrophobicContact CG2-CB 4.29Å; I208-E223 HydrophobicContact CD1-CB 4.48Å; I208-E223 VanDerWaalsContact CD1-CD 3.46Å; I208-E223 HydrophobicContact CD1-CG 3.97Å; I208-L226 HydrophobicContact CD1-CB 4.31Å; I208-L226 HydrophobicContact CD1-CD2 4.16Å; I208-L226 HydrophobicContact CG1-CD2 4.07Å
209V91.2Very high78.3Confident34 Ų3472.3 Ų72.321%0.20641%0.409CS..  trans-93.298174.3-178.20000108.2F194 Q196 E211 M212F194-V209 PolarHBondContact O-N 3.27Å; Q196-V209 HydrophobicContact CB-CG2 4.16Å; Q196-V209 HydrophobicContact CG-CG2 3.92Å; V209-E211 PolarHBondContact O-N 3.26Å; V209-E211 VanDerWaalsContact O-N 3.13Å; V209-M212 HydrophobicContact CB-CB 4.46Å; V209-M212 HydrophobicContact CB-CG 4.44Å; V209-M212 HydrophobicContact CG1-CB 4.37Å; V209-M212 HydrophobicContact CG1-CG 3.94Å; V209-M212 PolarHBondContact O-N 3.4Å
210K90Very high79.4Confident148 Ų14872.5 Ų72.564%0.64341%0.414SS*.G310 helixtrans-53.2-36.2-173.2-65.5-164.2175.4-149.60114M212 I213 D219K210-M212 PolarHBondContact O-N 3.21Å; K210-I213 HydrophobicContact CB-CD1 4.48Å; K210-I213 HydrophobicContact CG-CD1 4.49Å; K210-I213 PolarHBondContact O-N 2.96Å; K210-D219 IonicContact NZ-OD2 3.62Å; K210-D219 PolarHBondContact NZ-OD2 3.36Å
211E88.4Confident81.2Confident145 Ų14567.9 Ų67.968%0.67837%0.373SS*.G310 helixtrans-67.9-15.7-179.9-60.5-177.5-164.700114.7V209V209-E211 PolarHBondContact O-N 3.26Å; V209-E211 VanDerWaalsContact O-N 3.13Å
212M89.4Confident83.7Confident42 Ų4262.9 Ų62.921%0.20734%0.339CS..G310 helixtrans-104.42.2-179-66.5-65.3-172.400112.4A142 F194 V209 K210 P214A142-M212 WeakPolarHBondContact CB-O 3.42Å; F194-M212 HydrophobicContact CB-CB 3.93Å; V209-M212 HydrophobicContact CB-CB 4.46Å; V209-M212 HydrophobicContact CB-CG 4.44Å; V209-M212 HydrophobicContact CG1-CB 4.37Å; V209-M212 HydrophobicContact CG1-CG 3.94Å; V209-M212 PolarHBondContact O-N 3.4Å; K210-M212 PolarHBondContact O-N 3.21Å; M212-P214 WeakPolarHBondContact O-CD 3.37Å
213I91.8Very high85.8Confident16 Ų1658.4 Ų58.48%0.08232%0.319CS..SBendtrans-77124.9179.1-57.3177000108.8F194 I208 K210 I217 A222F194-I213 HydrophobicContact CB-CG1 3.99Å; F194-I213 HydrophobicContact CD2-CG1 4.36Å; F194-I213 HydrophobicContact CG-CG1 4.33Å; I208-I213 HydrophobicContact CG2-CD1 3.56Å; I208-I213 HydrophobicContact CG2-CG1 4.01Å; K210-I213 HydrophobicContact CB-CD1 4.48Å; K210-I213 HydrophobicContact CG-CD1 4.49Å; K210-I213 PolarHBondContact O-N 2.96Å; I213-I217 HydrophobicContact CG2-CB 3.88Å; I213-I217 HydrophobicContact CG2-CG2 4Å; I213-I217 WeakPolarHBondContact CG2-O 3.35Å; I213-A222 HydrophobicContact CD1-CB 4.17Å
214P90.6Very high87.8Confident2 Ų258.8 Ų58.81%0.01332%0.316CS..  trans-59.7142.7171.3-22.833.7000112.1A142 L145 L174 M212 F216 I217A142-P214 HydrophobicContact CB-CB 4.46Å; A142-P214 HydrophobicContact CB-CG 4.14Å; L145-P214 HydrophobicContact CD2-CB 4.16Å; L145-P214 HydrophobicContact CD2-CG 4.42Å; L174-P214 HydrophobicContact CD1-CG 4.47Å; L174-P214 HydrophobicContact CD2-CG 3.82Å; M212-P214 WeakPolarHBondContact O-CD 3.37Å; P214-F216 HydrophobicContact CB-CD1 3.95Å; P214-F216 HydrophobicContact CB-CE1 3.48Å; P214-F216 VanDerWaalsContact CB-CE1 3.48Å; P214-F216 HydrophobicContact CB-CE2 4.18Å; P214-F216 HydrophobicContact CB-CG 4.48Å; P214-F216 HydrophobicContact CB-CZ 3.6Å; P214-F216 HydrophobicContact CG-CE1 4.45Å; P214-F216 HydrophobicContact CG-CZ 4.16Å; P214-F216 PolarHBondContact O-N 3.48Å; P214-I217 HydrophobicContact CB-CD1 4.49Å; P214-I217 HydrophobicContact CB-CG1 4.36Å; P214-I217 HydrophobicContact CG-CD1 4.09Å; P214-I217 HydrophobicContact CG-CG1 4.48Å; P214-I217 PolarHBondContact O-N 2.84Å
215S88Confident89.4Confident86 Ų8652.8 Ų52.860%0.60128%0.279SS*.THydrogen-bonded Turntrans-54.9-29.2-17756.70000115.6I217S215-I217 VanDerWaalsContact C-N 3.32Å
216F87.6Confident90.3Very high22 Ų2251.8 Ų51.810%0.09627%0.271CS..THydrogen-bonded Turntrans-82.1-6176.858.2-93.9000114.1L145 L174 P214 L270 D272 L275L145-F216 HydrophobicContact CD2-CE1 3.52Å; L145-F216 HydrophobicContact CD2-CZ 3.9Å; L145-F216 HydrophobicContact CG-CE1 4.27Å; L174-F216 HydrophobicContact CD2-CE2 4.04Å; L174-F216 HydrophobicContact CD2-CZ 3.62Å; P214-F216 HydrophobicContact CB-CD1 3.95Å; P214-F216 HydrophobicContact CB-CE1 3.48Å; P214-F216 VanDerWaalsContact CB-CE1 3.48Å; P214-F216 HydrophobicContact CB-CE2 4.18Å; P214-F216 HydrophobicContact CB-CG 4.48Å; P214-F216 HydrophobicContact CB-CZ 3.6Å; P214-F216 HydrophobicContact CG-CE1 4.45Å; P214-F216 HydrophobicContact CG-CZ 4.16Å; P214-F216 PolarHBondContact O-N 3.48Å; F216-L270 HydrophobicContact CD2-CD1 4.08Å; F216-L270 HydrophobicContact CE1-CD1 4.41Å; F216-L270 HydrophobicContact CE2-CD1 3.73Å; F216-L270 HydrophobicContact CZ-CD1 3.91Å; F216-D272 VanDerWaalsContact CB-OD1 3.26Å; F216-D272 WeakPolarHBondContact CB-OD1 3.38Å; F216-L275 HydrophobicContact CD2-CD2 3.76Å; F216-L275 HydrophobicContact CE2-CD2 3.88Å
217I90.5Very high90.5Very high6 Ų651.8 Ų51.83%0.03127%0.271CS..SBendtrans-104.8106.5173.5-57.9-174.6000107.5L174 F194 I213 P214 S215 M221 A222 I225L174-I217 HydrophobicContact CD2-CD1 4.21Å; F194-I217 HydrophobicContact CE1-CD1 4.25Å; F194-I217 HydrophobicContact CZ-CD1 4.49Å; I213-I217 HydrophobicContact CG2-CB 3.88Å; I213-I217 HydrophobicContact CG2-CG2 4Å; I213-I217 WeakPolarHBondContact CG2-O 3.35Å; P214-I217 HydrophobicContact CB-CD1 4.49Å; P214-I217 HydrophobicContact CB-CG1 4.36Å; P214-I217 HydrophobicContact CG-CD1 4.09Å; P214-I217 HydrophobicContact CG-CG1 4.48Å; P214-I217 PolarHBondContact O-N 2.84Å; S215-I217 VanDerWaalsContact C-N 3.32Å; I217-M221 HydrophobicContact CB-SD 4.49Å; I217-M221 HydrophobicContact CG1-SD 4.28Å; I217-M221 HydrophobicContact CG2-CB 3.98Å; I217-M221 HydrophobicContact CG2-CG 4.16Å; I217-M221 HydrophobicContact CG2-SD 4.15Å; I217-A222 HydrophobicContact CG2-CB 4.1Å; I217-I225 HydrophobicContact CD1-CD1 4.37Å; I217-I225 HydrophobicContact CG2-CD1 4.33Å
218G90.2Very high90.6Very high42 Ų4247.4 Ų47.443%0.43325%0.252SS..  trans-73.8162.4172.700000112.8V220 M221 A222G218-V220 PolarHBondContact O-N 2.98Å; G218-V220 VanDerWaalsContact O-N 3.15Å; G218-M221 WeakPolarHBondContact O-CB 3.14Å; G218-M221 PolarHBondContact O-N 3.13Å; G218-A222 PolarHBondContact O-N 3.2Å
219D91.4Very high90.5Very high86 Ų8645.9 Ų45.946%0.4624%0.243SC..Hα-helixtrans-48.1-44.7178.2-7710.1000112.2K210 M221 A222 E223K210-D219 IonicContact NZ-OD2 3.62Å; K210-D219 PolarHBondContact NZ-OD2 3.36Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 3.19Å; D219-A222 PolarHBondContact O-N 2.92Å; D219-E223 WeakPolarHBondContact O-CG 3.43Å; D219-E223 PolarHBondContact O-N 2.67Å
220V91.1Very high90.1Very high100 Ų10046.7 Ų46.761%0.60625%0.247SC*.Hα-helixtrans-63-37.6179.4-178.80000112.4G218 K224G218-V220 PolarHBondContact O-N 2.98Å; G218-V220 VanDerWaalsContact O-N 3.15Å; V220-K224 WeakPolarHBondContact O-CG 3.41Å; V220-K224 PolarHBondContact O-N 2.81Å
221M93.7Very high89.7Confident13 Ų1340.3 Ų40.36%0.06422%0.219CC..Hα-helixtrans-72.6-39178-171.2-175-52.600110.7I217 G218 D219 E223 K224 I225 L275 Q276 F279I217-M221 HydrophobicContact CB-SD 4.49Å; I217-M221 HydrophobicContact CG1-SD 4.28Å; I217-M221 HydrophobicContact CG2-CB 3.98Å; I217-M221 HydrophobicContact CG2-CG 4.16Å; I217-M221 HydrophobicContact CG2-SD 4.15Å; G218-M221 WeakPolarHBondContact O-CB 3.14Å; G218-M221 PolarHBondContact O-N 3.13Å; D219-M221 VanDerWaalsContact C-N 3.33Å; D219-M221 PolarHBondContact O-N 3.19Å; M221-E223 VanDerWaalsContact C-N 3.34Å; M221-E223 PolarHBondContact O-N 3.35Å; M221-K224 WeakPolarHBondContact O-CB 2.97Å; M221-K224 PolarHBondContact O-N 3.23Å; M221-I225 HydrophobicContact CG-CD1 4.18Å; M221-I225 VanDerWaalsContact O-CG1 3.3Å; M221-I225 WeakPolarHBondContact O-CG1 3.48Å; M221-I225 PolarHBondContact O-N 3.26Å; M221-L275 HydrophobicContact SD-CD2 4.13Å; M221-L275 HydrophobicContact SD-CG 4.15Å; M221-Q276 HydrophobicContact CE-CB 3.53Å; M221-Q276 HydrophobicContact CE-CG 3.96Å; M221-F279 HydrophobicContact CG-CB 4.31Å; M221-F279 HydrophobicContact CG-CD2 4.06Å; M221-F279 HydrophobicContact CG-CG 4.41Å; M221-F279 HydrophobicContact SD-CD2 3.83Å; M221-F279 HydrophobicContact SD-CE2 4.41Å
222A93.4Very high89.5Confident0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-61.1-42.617700000111.7F194 I208 I213 I217 G218 D219 K224 I225 L226F194-A222 HydrophobicContact CD2-CB 4.3Å; F194-A222 HydrophobicContact CE2-CB 3.94Å; I208-A222 HydrophobicContact CD1-CB 3.9Å; I208-A222 HydrophobicContact CG2-CB 4.29Å; I213-A222 HydrophobicContact CD1-CB 4.17Å; I217-A222 HydrophobicContact CG2-CB 4.1Å; G218-A222 PolarHBondContact O-N 3.2Å; D219-A222 PolarHBondContact O-N 2.92Å; A222-K224 PolarHBondContact O-N 3.13Å; A222-I225 PolarHBondContact O-N 3.26Å; A222-L226 PolarHBondContact O-N 3.27Å
223E90.4Very high89Confident110 Ų11032.2 Ų32.251%0.51418%0.18SC..Hα-helixtrans-61.5-41.4174.2-69.9-65.6170.800112.2I208 D219 M221 I225 L226 Y227I208-E223 HydrophobicContact CD1-CB 4.48Å; I208-E223 VanDerWaalsContact CD1-CD 3.46Å; I208-E223 HydrophobicContact CD1-CG 3.97Å; D219-E223 WeakPolarHBondContact O-CG 3.43Å; D219-E223 PolarHBondContact O-N 2.67Å; M221-E223 VanDerWaalsContact C-N 3.34Å; M221-E223 PolarHBondContact O-N 3.35Å; E223-I225 PolarHBondContact O-N 3.33Å; E223-L226 WeakPolarHBondContact O-CB 3.35Å; E223-L226 PolarHBondContact O-N 3.41Å; E223-Y227 WeakPolarHBondContact O-CB 3.26Å; E223-Y227 PolarHBondContact O-N 3.04Å
224K92Very high88.1Confident45 Ų4533.8 Ų33.820%0.19619%0.187CC..Hα-helixtrans-62.5-41.9174.6-72171.2176.9170.50112.1V220 M221 A222 Y227 I228 D280 H283V220-K224 WeakPolarHBondContact O-CG 3.41Å; V220-K224 PolarHBondContact O-N 2.81Å; M221-K224 WeakPolarHBondContact O-CB 2.97Å; M221-K224 PolarHBondContact O-N 3.23Å; A222-K224 PolarHBondContact O-N 3.13Å; K224-Y227 PolarHBondContact O-N 3.31Å; K224-I228 WeakPolarHBondContact O-CD1 3.49Å; K224-I228 WeakPolarHBondContact O-CG1 3.2Å; K224-I228 PolarHBondContact O-N 3.49Å; K224-D280 IonicContact NZ-OD1 3.19Å; K224-D280 PolarHBondContact NZ-OD1 3.28Å; K224-H283 HydrophobicContact CB-CB 4.36Å; K224-H283 HydrophobicContact CD-CB 4.41Å; K224-H283 HydrophobicContact CG-CB 4.27Å
225I93.9Very high87.4Confident0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-63.2-43.9177.4-66.4166.3000110.4L178 W181 F194 I195 I217 M221 A222 E223 I228 G229 F279L178-I225 HydrophobicContact CD2-CD1 4.25Å; L178-I225 HydrophobicContact CD2-CG2 3.7Å; W181-I225 PolarHBondContact NE1-O 3.47Å; F194-I225 HydrophobicContact CZ-CD1 3.96Å; F194-I225 HydrophobicContact CZ-CG2 4.16Å; I195-I225 HydrophobicContact CD1-CG2 3.89Å; I217-I225 HydrophobicContact CD1-CD1 4.37Å; I217-I225 HydrophobicContact CG2-CD1 4.33Å; M221-I225 HydrophobicContact CG-CD1 4.18Å; M221-I225 VanDerWaalsContact O-CG1 3.3Å; M221-I225 WeakPolarHBondContact O-CG1 3.48Å; M221-I225 PolarHBondContact O-N 3.26Å; A222-I225 PolarHBondContact O-N 3.26Å; E223-I225 PolarHBondContact O-N 3.33Å; I225-I228 PolarHBondContact O-N 2.9Å; I225-G229 PolarHBondContact O-N 3.41Å; I225-G229 VanDerWaalsContact O-N 3.08Å; I225-F279 HydrophobicContact CD1-CD2 4.24Å; I225-F279 HydrophobicContact CD1-CE1 4.21Å; I225-F279 HydrophobicContact CD1-CE2 3.86Å; I225-F279 HydrophobicContact CD1-CZ 3.85Å; I225-F279 HydrophobicContact CG1-CD1 3.75Å; I225-F279 HydrophobicContact CG1-CD2 4.27Å; I225-F279 HydrophobicContact CG1-CE1 3.6Å; I225-F279 HydrophobicContact CG1-CE2 4.11Å; I225-F279 HydrophobicContact CG1-CG 4.09Å; I225-F279 HydrophobicContact CG1-CZ 3.79Å
226L90.7Very high86.6Confident18 Ų1831.1 Ų31.19%0.09417%0.172CC..Hα-helixtrans-57.2-52.6173.9171.963.9000110.8W181 I195 I208 A222 E223 I228 G229 L230W181-L226 HydrophobicContact CH2-CD1 4.13Å; W181-L226 HydrophobicContact CZ2-CD1 3.83Å; W181-L226 WeakPolarHBondContact CZ2-O 3.44Å; I195-L226 HydrophobicContact CD1-CB 4.14Å; I195-L226 HydrophobicContact CG2-CD1 3.84Å; I208-L226 HydrophobicContact CD1-CB 4.31Å; I208-L226 HydrophobicContact CD1-CD2 4.16Å; I208-L226 HydrophobicContact CG1-CD2 4.07Å; A222-L226 PolarHBondContact O-N 3.27Å; E223-L226 WeakPolarHBondContact O-CB 3.35Å; E223-L226 PolarHBondContact O-N 3.41Å; L226-I228 PolarHBondContact O-N 2.9Å; L226-G229 PolarHBondContact O-N 3.03Å; L226-L230 HydrophobicContact CD1-CD1 3.99Å; L226-L230 HydrophobicContact CD1-CG 4.15Å; L226-L230 HydrophobicContact CG-CD1 4.11Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 3.17Å
227Y87.1Confident85.7Confident48 Ų4837.6 Ų37.619%0.18820%0.203CC..Hα-helixtrans-56.8-49.7179.8179.5-86.5000112.3E223 K224 G229 L230 K231 H283 V286 S287 S479E223-Y227 WeakPolarHBondContact O-CB 3.26Å; E223-Y227 PolarHBondContact O-N 3.04Å; K224-Y227 PolarHBondContact O-N 3.31Å; Y227-G229 VanDerWaalsContact C-N 3.34Å; Y227-G229 PolarHBondContact O-N 3.44Å; Y227-L230 PolarHBondContact O-N 2.92Å; Y227-K231 HydrophobicContact CD1-CG 4.13Å; Y227-K231 HydrophobicContact CE1-CB 4.5Å; Y227-K231 HydrophobicContact CE1-CG 3.6Å; Y227-K231 HydrophobicContact CE2-CG 4.09Å; Y227-K231 PolarHBondContact O-N 2.84Å; Y227-H283 AromaticContact CD1-CD2 3.54Å; Y227-H283 AromaticContact CD1-CE1 3.97Å; Y227-H283 AromaticContact CD1-NE2 3.12Å; Y227-H283 WeakPolarHBondContact CD1-NE2 3.37Å; Y227-H283 AromaticContact CE1-NE2 3.8Å; Y227-H283 AromaticContact CG-NE2 3.33Å; Y227-H283 VanDerWaalsContact CG-NE2 3.33Å; Y227-V286 HydrophobicContact CE1-CG1 4.29Å; Y227-S287 WeakPolarHBondContact CE1-OG 3.44Å; Y227-S479 PolarHBondContact OH-OG 3.49Å
228I90.4Very high84.5Confident0 Ų043.1 Ų43.10%023%0.231CC..Hα-helixtrans-57.2-49-180-67.6160.5000110.1L182 K224 I225 L226 L230 K231 I232 F279 W282 H283 V286L182-I228 HydrophobicContact CD2-CB 4.16Å; L182-I228 HydrophobicContact CD2-CG2 3.54Å; K224-I228 WeakPolarHBondContact O-CD1 3.49Å; K224-I228 WeakPolarHBondContact O-CG1 3.2Å; K224-I228 PolarHBondContact O-N 3.49Å; I225-I228 PolarHBondContact O-N 2.9Å; L226-I228 PolarHBondContact O-N 2.9Å; I228-L230 VanDerWaalsContact C-N 3.35Å; I228-L230 PolarHBondContact O-N 2.93Å; I228-K231 PolarHBondContact O-N 3.29Å; I228-I232 HydrophobicContact CG2-CG1 4.12Å; I228-I232 WeakPolarHBondContact O-CB 3.31Å; I228-I232 VanDerWaalsContact O-CG1 3.25Å; I228-I232 WeakPolarHBondContact O-CG1 3.45Å; I228-I232 PolarHBondContact O-N 2.89Å; I228-F279 HydrophobicContact CD1-CD1 4Å; I228-W282 HydrophobicContact CD1-CB 3.92Å; I228-W282 HydrophobicContact CD1-CD2 4.3Å; I228-W282 HydrophobicContact CD1-CG 3.94Å; I228-W282 HydrophobicContact CG2-CD2 4.25Å; I228-W282 HydrophobicContact CG2-CG 4.35Å; I228-H283 HydrophobicContact CD1-CB 4.18Å; I228-H283 HydrophobicContact CG1-CB 4.39Å; I228-V286 HydrophobicContact CG2-CG2 4.29Å
229G88.8Confident83Confident0 Ų042.7 Ų42.70%022%0.22CC..Hα-helixtrans-69.3-28.8-177.500000114.2I225 L226 Y227 K233I225-G229 PolarHBondContact O-N 3.41Å; I225-G229 VanDerWaalsContact O-N 3.08Å; L226-G229 PolarHBondContact O-N 3.03Å; Y227-G229 VanDerWaalsContact C-N 3.34Å; Y227-G229 PolarHBondContact O-N 3.44Å; G229-K233 WeakPolarHBondContact O-CB 3.39Å; G229-K233 VanDerWaalsContact O-CG 3.23Å; G229-K233 WeakPolarHBondContact O-CG 3.29Å; G229-K233 PolarHBondContact O-N 2.58Å; G229-K233 PolarHBondContact O-NZ 2.79Å
230L83.7Confident81.2Confident52 Ų5245.9 Ų45.927%0.27223%0.232SC..Hα-helixtrans-66.2-49.8170.8-71.3173.1000110.7W181 Y206 L226 Y227 I228 I232 K233 E234W181-L230 HydrophobicContact CH2-CD2 4.2Å; W181-L230 HydrophobicContact CH2-CG 4.44Å; W181-L230 HydrophobicContact CZ2-CG 4.34Å; Y206-L230 HydrophobicContact CD2-CD2 3.61Å; Y206-L230 HydrophobicContact CE2-CD2 4.05Å; L226-L230 HydrophobicContact CD1-CD1 3.99Å; L226-L230 HydrophobicContact CD1-CG 4.15Å; L226-L230 HydrophobicContact CG-CD1 4.11Å; L226-L230 WeakPolarHBondContact O-CG 3.23Å; L226-L230 PolarHBondContact O-N 3.17Å; Y227-L230 PolarHBondContact O-N 2.92Å; I228-L230 VanDerWaalsContact C-N 3.35Å; I228-L230 PolarHBondContact O-N 2.93Å; L230-I232 PolarHBondContact O-N 3.11Å; L230-K233 PolarHBondContact O-N 3.43Å; L230-E234 WeakPolarHBondContact O-CG 3.47Å; L230-E234 PolarHBondContact O-N 2.92Å
231K79.8Confident79.3Confident13 Ų1347.4 Ų47.46%0.05724%0.244CC..Hα-helixtrans-67.1-37.4-177.7-68.3-44.9-174.2-1720113.8Y227 I228 K233 E234 I235 V286 T290 H396Y227-K231 HydrophobicContact CD1-CG 4.13Å; Y227-K231 HydrophobicContact CE1-CB 4.5Å; Y227-K231 HydrophobicContact CE1-CG 3.6Å; Y227-K231 HydrophobicContact CE2-CG 4.09Å; Y227-K231 PolarHBondContact O-N 2.84Å; I228-K231 PolarHBondContact O-N 3.29Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K231-E234 WeakPolarHBondContact CD-OE2 3.36Å; K231-E234 IonicContact NZ-OE1 2.67Å; K231-E234 PolarHBondContact NZ-OE1 3.43Å; K231-E234 IonicContact NZ-OE2 2.96Å; K231-E234 PolarHBondContact NZ-OE2 2.91Å; K231-E234 PolarHBondContact O-N 2.97Å; K231-I235 WeakPolarHBondContact O-CD1 3.43Å; K231-I235 VanDerWaalsContact O-CG1 3.26Å; K231-I235 WeakPolarHBondContact O-CG1 3.5Å; K231-I235 PolarHBondContact O-N 3.41Å; K231-V286 HydrophobicContact CB-CG1 3.61Å; K231-V286 HydrophobicContact CG-CG1 4.26Å; K231-T290 HydrophobicContact CB-CG2 3.98Å; K231-T290 HydrophobicContact CG-CG2 4.42Å; K231-H396 PolarHBondContact NZ-CD2 2.86Å
232I84.2Confident77.1Confident1 Ų151 Ų511%0.00528%0.275CS..Hα-helixtrans-66.6-38175.5-66.9-65000111.3L182 L184 I228 L230 I235 G236 H255 V286L182-I232 WeakPolarHBondContact O-CG2 3.44Å; L184-I232 HydrophobicContact CD2-CG2 3.8Å; L184-I232 HydrophobicContact CG-CG2 4.28Å; I228-I232 HydrophobicContact CG2-CG1 4.12Å; I228-I232 WeakPolarHBondContact O-CB 3.31Å; I228-I232 VanDerWaalsContact O-CG1 3.25Å; I228-I232 WeakPolarHBondContact O-CG1 3.45Å; I228-I232 PolarHBondContact O-N 2.89Å; L230-I232 PolarHBondContact O-N 3.11Å; I232-I235 HydrophobicContact CD1-CD1 4.3Å; I232-I235 PolarHBondContact O-N 3.29Å; I232-G236 PolarHBondContact O-N 2.83Å; I232-H255 HydrophobicContact CD1-CB 4.46Å; I232-H255 WeakPolarHBondContact CD1-ND1 3.46Å; I232-V286 HydrophobicContact CD1-CG2 4.19Å
233K80.3Confident75Confident16 Ų1658.3 Ų58.37%0.0732%0.315CS..Hα-helixtrans-66.4-43.3174.1-73.3-175.8-168.981.70112.4W181 G229 L230 K231 I235 G236 E237W181-K233 PolarHBondContact O-NZ 2.97Å; G229-K233 WeakPolarHBondContact O-CB 3.39Å; G229-K233 VanDerWaalsContact O-CG 3.23Å; G229-K233 WeakPolarHBondContact O-CG 3.29Å; G229-K233 PolarHBondContact O-N 2.58Å; G229-K233 PolarHBondContact O-NZ 2.79Å; L230-K233 PolarHBondContact O-N 3.43Å; K231-K233 VanDerWaalsContact C-N 3.34Å; K233-I235 PolarHBondContact O-N 2.92Å; K233-G236 CarbonylContact O-C 3.59Å; K233-G236 WeakPolarHBondContact O-CA 3.27Å; K233-G236 PolarHBondContact O-N 2.84Å; K233-E237 PolarHBondContact O-N 3.16Å
234E73.4Confident73.2Confident49 Ų4955.8 Ų55.823%0.22931%0.308CS..Hα-helixtrans-55-43.5172.9-73.3173.8-16500111L230 K231 E237 I238 H396L230-E234 WeakPolarHBondContact O-CG 3.47Å; L230-E234 PolarHBondContact O-N 2.92Å; K231-E234 WeakPolarHBondContact CD-OE2 3.36Å; K231-E234 IonicContact NZ-OE1 2.67Å; K231-E234 PolarHBondContact NZ-OE1 3.43Å; K231-E234 IonicContact NZ-OE2 2.96Å; K231-E234 PolarHBondContact NZ-OE2 2.91Å; K231-E234 PolarHBondContact O-N 2.97Å; E234-E237 PolarHBondContact O-N 3.41Å; E234-I238 WeakPolarHBondContact O-CD1 3.43Å; E234-I238 VanDerWaalsContact O-CG1 3.3Å; E234-I238 WeakPolarHBondContact O-CG1 3.07Å; E234-I238 PolarHBondContact O-N 2.92Å; E234-H396 IonicContact OE2-CE1 3Å; E234-H396 IonicContact OE2-ND1 3.24Å
235I74.3Confident71.6Confident7 Ų756.5 Ų56.54%0.03632%0.319CS..Hα-helixtrans-63.5-42.9174.7-66.7161.2000110.9K231 I232 K233 E237 I238 V239 F248 L251 T290K231-I235 WeakPolarHBondContact O-CD1 3.43Å; K231-I235 VanDerWaalsContact O-CG1 3.26Å; K231-I235 WeakPolarHBondContact O-CG1 3.5Å; K231-I235 PolarHBondContact O-N 3.41Å; I232-I235 HydrophobicContact CD1-CD1 4.3Å; I232-I235 PolarHBondContact O-N 3.29Å; K233-I235 PolarHBondContact O-N 2.92Å; I235-E237 PolarHBondContact O-N 3.37Å; I235-I238 PolarHBondContact O-N 3.16Å; I235-I238 VanDerWaalsContact O-N 3.15Å; I235-V239 HydrophobicContact CG2-CG2 3.71Å; I235-V239 WeakPolarHBondContact O-CB 3.19Å; I235-V239 VanDerWaalsContact O-CG2 3.23Å; I235-V239 WeakPolarHBondContact O-CG2 3.45Å; I235-V239 PolarHBondContact O-N 3.44Å; I235-F248 HydrophobicContact CG1-CE1 4.12Å; I235-F248 HydrophobicContact CG2-CD1 4Å; I235-F248 HydrophobicContact CG2-CE1 4.12Å; I235-L251 HydrophobicContact CD1-CD2 3.4Å; I235-T290 HydrophobicContact CD1-CG2 3.63Å; I235-T290 HydrophobicContact CG1-CG2 4.37Å
236G72.5Confident70.1Confident26 Ų2660.7 Ų60.727%0.26835%0.348SS..Hα-helixtrans-60.9-30.2177.600000114I232 K233I232-G236 PolarHBondContact O-N 2.83Å; K233-G236 CarbonylContact O-C 3.59Å; K233-G236 WeakPolarHBondContact O-CA 3.27Å; K233-G236 PolarHBondContact O-N 2.84Å
237E68.5Low68.7Low157 Ų15764 Ų6473%0.73437%0.366SS*.Hα-helixtrans-75.5-33.1174.2-70.2178.5-178.500112.9K233 E234 I235K233-E237 PolarHBondContact O-N 3.16Å; E234-E237 PolarHBondContact O-N 3.41Å; I235-E237 PolarHBondContact O-N 3.37Å
238I64.6Low67.8Low123 Ų12363.2 Ų63.263%0.63136%0.364SS*.Hα-helixtrans-81.7-35.4-179-63.1163.5000111.3E234 I235 E240E234-I238 WeakPolarHBondContact O-CD1 3.43Å; E234-I238 VanDerWaalsContact O-CG1 3.3Å; E234-I238 WeakPolarHBondContact O-CG1 3.07Å; E234-I238 PolarHBondContact O-N 2.92Å; I235-I238 PolarHBondContact O-N 3.16Å; I235-I238 VanDerWaalsContact O-N 3.15Å; I238-E240 PolarHBondContact O-N 3.45Å
239V59.7Low67Low33 Ų3365.6 Ų65.620%0.238%0.383CS..  trans-83.994.2-174.2175.80000109.9I235 C244I235-V239 HydrophobicContact CG2-CG2 3.71Å; I235-V239 WeakPolarHBondContact O-CB 3.19Å; I235-V239 VanDerWaalsContact O-CG2 3.23Å; I235-V239 WeakPolarHBondContact O-CG2 3.45Å; I235-V239 PolarHBondContact O-N 3.44Å; V239-C244 WeakPolarHBondContact CG1-SG 3.23Å
240E53.3Low66.7Low153 Ų15369.8 Ų69.872%0.71541%0.406SS*.  trans-66.7130.7152.5-74-172.1169.800108.1I238 A242 N243I238-E240 PolarHBondContact O-N 3.45Å; E240-A242 PolarHBondContact O-N 3.31Å; E240-N243 PolarHBondContact O-N 2.94Å
241P51.4Low66.7Low132 Ų13267.3 Ų67.386%0.85739%0.393SS*.THydrogen-bonded Turntrans-60.3-3-169.419.3-31000115.7
242A47.6Very low66.9Low87 Ų8768.2 Ų68.272%0.71940%0.398SS*.THydrogen-bonded Turntrans-95.3-15.1-176.500000115.4E240E240-A242 PolarHBondContact O-N 3.31Å
243N48.8Very low67Low155 Ų15571 Ų7183%0.82942%0.418SS*.  trans-136.540.6-167.6-94-11.3000115.3E240 S245E240-N243 PolarHBondContact O-N 2.94Å; N243-S245 PolarHBondContact O-N 3.49Å
244C51.9Low67.6Low56 Ų5672.7 Ų72.738%0.37843%0.425SS..  trans-68.8120.3174.2-770000112V239V239-C244 WeakPolarHBondContact CG1-SG 3.23Å
245S58.3Low68.4Low61 Ų6170.7 Ų70.743%0.42742%0.416SS..  trans-60.3153.7160.7610000110.5N243 D247 F248 A249N243-S245 PolarHBondContact O-N 3.49Å; S245-D247 PolarHBondContact O-N 3.31Å; S245-F248 PolarHBondContact O-N 2.81Å; S245-F248 VanDerWaalsContact OG-CD2 3.24Å; S245-F248 WeakPolarHBondContact OG-CD2 3.21Å; S245-A249 PolarHBondContact O-N 2.78Å
246S61.9Low69.2Low87 Ų8775.3 Ų75.361%0.60844%0.437SS*.Hα-helixtrans-47.7-38-178.251.80000113.6F248 A249 D250S246-F248 PolarHBondContact O-N 2.88Å; S246-A249 WeakPolarHBondContact O-CB 3.41Å; S246-A249 PolarHBondContact O-N 3.49Å; S246-D250 PolarHBondContact O-N 3.45Å; S246-D250 VanDerWaalsContact O-N 3.15Å
247D62.2Low70.3Confident88 Ų8880.4 Ų80.447%0.47145%0.454SS..Hα-helixtrans-71.7-31.4-174.3-64.43.5000113S245 L251S245-D247 PolarHBondContact O-N 3.31Å; D247-L251 PolarHBondContact O-N 3.47Å; D247-L251 VanDerWaalsContact O-N 3.16Å
248F68.1Low71.5Confident32 Ų3273.1 Ų73.114%0.1442%0.421CS..Hα-helixtrans-74.3-34.6173.4-76.8-66.3000111.2I235 S245 S246 D250 L251 L252 P293I235-F248 HydrophobicContact CG1-CE1 4.12Å; I235-F248 HydrophobicContact CG2-CD1 4Å; I235-F248 HydrophobicContact CG2-CE1 4.12Å; S245-F248 PolarHBondContact O-N 2.81Å; S245-F248 VanDerWaalsContact OG-CD2 3.24Å; S245-F248 WeakPolarHBondContact OG-CD2 3.21Å; S246-F248 PolarHBondContact O-N 2.88Å; F248-D250 VanDerWaalsContact C-N 3.32Å; F248-D250 PolarHBondContact O-N 3.04Å; F248-L251 HydrophobicContact CD1-CD2 4.47Å; F248-L251 PolarHBondContact O-N 3.29Å; F248-L251 VanDerWaalsContact O-N 3.17Å; F248-L252 WeakPolarHBondContact O-CB 3.24Å; F248-L252 VanDerWaalsContact O-CG 3.24Å; F248-L252 WeakPolarHBondContact O-CG 3.46Å; F248-L252 PolarHBondContact O-N 3.02Å; F248-P293 HydrophobicContact CE1-CB 4.37Å; F248-P293 HydrophobicContact CE1-CG 3.8Å; F248-P293 HydrophobicContact CE2-CB 3.74Å; F248-P293 HydrophobicContact CE2-CG 4.06Å; F248-P293 HydrophobicContact CZ-CB 3.44Å; F248-P293 VanDerWaalsContact CZ-CB 3.44Å; F248-P293 HydrophobicContact CZ-CG 3.34Å
249A74.5Confident72.9Confident49 Ų4968.6 Ų68.641%0.40540%0.397SS..Hα-helixtrans-62-41174.700000111.7S245 S246 L252 S253S245-A249 PolarHBondContact O-N 2.78Å; S246-A249 WeakPolarHBondContact O-CB 3.41Å; S246-A249 PolarHBondContact O-N 3.49Å; A249-L252 PolarHBondContact O-N 3.42Å; A249-S253 WeakPolarHBondContact O-CB 3.5Å; A249-S253 PolarHBondContact O-N 3.36Å; A249-S253 PolarHBondContact O-OG 3.03Å; A249-S253 VanDerWaalsContact O-OG 3.04Å
250D81.3Confident74.5Confident88 Ų8875 Ų7547%0.47142%0.418SS..Hα-helixtrans-65.1-37.3173.6-82.90.3000112.5S246 F248 S253 F254 R289S246-D250 PolarHBondContact O-N 3.45Å; S246-D250 VanDerWaalsContact O-N 3.15Å; F248-D250 VanDerWaalsContact C-N 3.32Å; F248-D250 PolarHBondContact O-N 3.04Å; D250-S253 WeakPolarHBondContact CA-OG 3.27Å; D250-S253 PolarHBondContact O-OG 2.89Å; D250-F254 WeakPolarHBondContact O-CB 3.48Å; D250-F254 PolarHBondContact O-N 3.34Å; D250-F254 VanDerWaalsContact O-N 3.12Å; D250-R289 PolarHBondContact O-NH1 2.77Å
251L84Confident76.4Confident1 Ų173.7 Ų73.71%0.00541%0.407CS..Hα-helixtrans-67-46.4175.5-179.557.2000111.8I235 D247 F248 F254 H255 V286 R289I235-L251 HydrophobicContact CD1-CD2 3.4Å; D247-L251 PolarHBondContact O-N 3.47Å; D247-L251 VanDerWaalsContact O-N 3.16Å; F248-L251 HydrophobicContact CD1-CD2 4.47Å; F248-L251 PolarHBondContact O-N 3.29Å; F248-L251 VanDerWaalsContact O-N 3.17Å; L251-F254 PolarHBondContact O-N 3.37Å; L251-H255 VanDerWaalsContact O-CB 3.26Å; L251-H255 WeakPolarHBondContact O-CB 3.36Å; L251-H255 PolarHBondContact O-N 3.33Å; L251-V286 HydrophobicContact CD1-CG2 4.23Å; L251-R289 HydrophobicContact CB-CB 4.44Å; L251-R289 HydrophobicContact CD1-CB 3.99Å; L251-R289 HydrophobicContact CD2-CB 4.02Å; L251-R289 HydrophobicContact CG-CB 4.38Å
252L84.2Confident78.5Confident31 Ų3167.5 Ų67.516%0.16237%0.366CS..Hα-helixtrans-64.1-43.3179.5-69.6173.6000111.3L184 F248 A249 F254 H255 E256L184-L252 HydrophobicContact CD1-CD2 3.96Å; L184-L252 HydrophobicContact CD2-CD2 3.67Å; L184-L252 HydrophobicContact CG-CD2 4.36Å; F248-L252 WeakPolarHBondContact O-CB 3.24Å; F248-L252 VanDerWaalsContact O-CG 3.24Å; F248-L252 WeakPolarHBondContact O-CG 3.46Å; F248-L252 PolarHBondContact O-N 3.02Å; A249-L252 PolarHBondContact O-N 3.42Å; L252-F254 PolarHBondContact O-N 2.95Å; L252-H255 WeakPolarHBondContact O-CB 3.49Å; L252-H255 PolarHBondContact O-N 3.21Å; L252-E256 WeakPolarHBondContact O-CG 3.3Å; L252-E256 PolarHBondContact O-N 2.72Å
253S87.4Confident80.7Confident60 Ų6066 Ų6642%0.4234%0.344SS..Hα-helixtrans-63.2-41.4175.360.30000112.6A249 D250 H255 E256 Q257A249-S253 WeakPolarHBondContact O-CB 3.5Å; A249-S253 PolarHBondContact O-N 3.36Å; A249-S253 PolarHBondContact O-OG 3.03Å; A249-S253 VanDerWaalsContact O-OG 3.04Å; D250-S253 WeakPolarHBondContact CA-OG 3.27Å; D250-S253 PolarHBondContact O-OG 2.89Å; S253-H255 VanDerWaalsContact C-N 3.35Å; S253-E256 PolarHBondContact O-N 2.83Å; S253-Q257 WeakPolarHBondContact O-CB 3.14Å; S253-Q257 PolarHBondContact O-N 2.92Å
254F91.4Very high82.7Confident52 Ų5263 Ų6323%0.22833%0.325CS..Hα-helixtrans-64.2-39.8173.3175.7-89.2000112.1D250 L251 L252 Q257 S258 W282 C285D250-F254 WeakPolarHBondContact O-CB 3.48Å; D250-F254 PolarHBondContact O-N 3.34Å; D250-F254 VanDerWaalsContact O-N 3.12Å; L251-F254 PolarHBondContact O-N 3.37Å; L252-F254 PolarHBondContact O-N 2.95Å; F254-Q257 PolarHBondContact O-N 3.36Å; F254-S258 WeakPolarHBondContact CE1-OG 3.4Å; F254-S258 WeakPolarHBondContact O-CB 3.28Å; F254-S258 PolarHBondContact O-N 3.31Å; F254-S258 PolarHBondContact O-OG 3.39Å; F254-W282 AromaticContact CE1-CD1 3.86Å; F254-W282 HydrophobicContact CE1-CG 4.36Å; F254-C285 HydrophobicContact CD1-CB 3.94Å; F254-C285 WeakPolarHBondContact CD1-SG 3.45Å; F254-C285 HydrophobicContact CE1-CB 3.45Å; F254-C285 VanDerWaalsContact CE1-CB 3.45Å; F254-C285 HydrophobicContact CZ-CB 3.77Å
255H91.3Very high84.7Confident7 Ų761.2 Ų61.23%0.03231%0.312CS..Hα-helixtrans-62.3-48.6177173.284.4000111.1L182 I232 L251 L252 S253 Q257 S258 I259 W282L182-H255 PolarHBondContact O-CE1 2.77Å; L182-H255 PolarHBondContact O-NE2 3.38Å; L182-H255 VanDerWaalsContact O-NE2 3.1Å; I232-H255 HydrophobicContact CD1-CB 4.46Å; I232-H255 WeakPolarHBondContact CD1-ND1 3.46Å; L251-H255 VanDerWaalsContact O-CB 3.26Å; L251-H255 WeakPolarHBondContact O-CB 3.36Å; L251-H255 PolarHBondContact O-N 3.33Å; L252-H255 WeakPolarHBondContact O-CB 3.49Å; L252-H255 PolarHBondContact O-N 3.21Å; S253-H255 VanDerWaalsContact C-N 3.35Å; H255-Q257 VanDerWaalsContact C-N 3.35Å; H255-Q257 PolarHBondContact O-N 3.41Å; H255-S258 WeakPolarHBondContact O-CB 3.38Å; H255-S258 PolarHBondContact O-N 3.19Å; H255-S258 VanDerWaalsContact O-N 3.12Å; H255-I259 VanDerWaalsContact NE2-CD1 3.29Å; H255-I259 WeakPolarHBondContact NE2-CD1 3.41Å; H255-I259 PolarHBondContact O-N 2.96Å; H255-W282 AromaticContact CE1-CZ2 3.59Å; H255-W282 AromaticContact ND1-CE2 3.77Å; H255-W282 AromaticContact ND1-CZ2 3.35Å; H255-W282 WeakPolarHBondContact ND1-CZ2 3.34Å; H255-W282 AromaticContact ND1-NE1 3.6Å
256E91.4Very high86.2Confident104 Ų10458.3 Ų58.349%0.48629%0.291SS..Hα-helixtrans-59.6-43.1174.4-72.9-179.9-171.700112.3L252 S253 S258 I259 R260L252-E256 WeakPolarHBondContact O-CG 3.3Å; L252-E256 PolarHBondContact O-N 2.72Å; S253-E256 PolarHBondContact O-N 2.83Å; E256-S258 VanDerWaalsContact C-N 3.28Å; E256-S258 PolarHBondContact O-N 2.94Å; E256-I259 PolarHBondContact O-N 2.89Å; E256-R260 WeakPolarHBondContact O-CG 3.38Å; E256-R260 PolarHBondContact O-N 3.05Å; E256-R260 IonicContact OE2-NH2 2.81Å
257Q93.8Very high87.6Confident132 Ų13261.3 Ų61.362%0.61729%0.289SS*.Hα-helixtrans-62.5-37.5176-171.2178.624.800111.7S253 F254 H255 R260 R261S253-Q257 WeakPolarHBondContact O-CB 3.14Å; S253-Q257 PolarHBondContact O-N 2.92Å; F254-Q257 PolarHBondContact O-N 3.36Å; H255-Q257 VanDerWaalsContact C-N 3.35Å; H255-Q257 PolarHBondContact O-N 3.41Å; Q257-R260 PolarHBondContact O-N 3.37Å; Q257-R261 WeakPolarHBondContact O-CB 3.4Å; Q257-R261 PolarHBondContact O-N 3.43Å
258S94.2Very high88.7Confident5 Ų564.4 Ų64.44%0.03529%0.294CS..Hα-helixtrans-68.3-39.2177.8-59.90000111.8F254 H255 E256 R261 L262F254-S258 WeakPolarHBondContact CE1-OG 3.4Å; F254-S258 WeakPolarHBondContact O-CB 3.28Å; F254-S258 PolarHBondContact O-N 3.31Å; F254-S258 PolarHBondContact O-OG 3.39Å; H255-S258 WeakPolarHBondContact O-CB 3.38Å; H255-S258 PolarHBondContact O-N 3.19Å; H255-S258 VanDerWaalsContact O-N 3.12Å; E256-S258 VanDerWaalsContact C-N 3.28Å; E256-S258 PolarHBondContact O-N 2.94Å; S258-R261 PolarHBondContact O-N 3.24Å; S258-L262 WeakPolarHBondContact O-CB 3.28Å; S258-L262 PolarHBondContact O-N 2.82Å
259I94.1Very high89Confident27 Ų2766.8 Ų66.814%0.13831%0.313CS..Hα-helixtrans-60.8-47.7171.9-68.5172.9000110.8F175 E179 H255 E256 R261 L262 H263 W282F175-I259 HydrophobicContact CE2-CG2 4.37Å; F175-I259 HydrophobicContact CZ-CG2 4.21Å; E179-I259 HydrophobicContact CG-CG2 4.43Å; H255-I259 VanDerWaalsContact NE2-CD1 3.29Å; H255-I259 WeakPolarHBondContact NE2-CD1 3.41Å; H255-I259 PolarHBondContact O-N 2.96Å; E256-I259 PolarHBondContact O-N 2.89Å; I259-R261 VanDerWaalsContact C-N 3.29Å; I259-R261 PolarHBondContact O-N 3.16Å; I259-L262 WeakPolarHBondContact O-CB 3.47Å; I259-L262 PolarHBondContact O-N 2.76Å; I259-H263 PolarHBondContact O-N 3.44Å; I259-W282 HydrophobicContact CG1-CH2 3.67Å; I259-W282 HydrophobicContact CG1-CZ2 4.04Å
260R94.1Very high89Confident168 Ų16866.3 Ų66.363%0.63430%0.304SS*.Hα-helixtrans-59.2-43177.1-68.3179.6-163.7172.29.1111.3E256 Q257 H263 E264E256-R260 WeakPolarHBondContact O-CG 3.38Å; E256-R260 PolarHBondContact O-N 3.05Å; E256-R260 IonicContact OE2-NH2 2.81Å; Q257-R260 PolarHBondContact O-N 3.37Å; R260-H263 WeakPolarHBondContact O-CB 3.42Å; R260-H263 PolarHBondContact O-N 3.21Å; R260-E264 WeakPolarHBondContact O-CG 3.35Å; R260-E264 PolarHBondContact O-N 3.46Å
261R93.4Very high88.4Confident126 Ų12663.9 Ų63.948%0.47529%0.294SS..Hα-helixtrans-66.6-38.2178.2-171.955.2170.2-172.6-4.1112.5Q257 S258 I259 H263 E264 L265 L278Q257-R261 WeakPolarHBondContact O-CB 3.4Å; Q257-R261 PolarHBondContact O-N 3.43Å; S258-R261 PolarHBondContact O-N 3.24Å; I259-R261 VanDerWaalsContact C-N 3.29Å; I259-R261 PolarHBondContact O-N 3.16Å; R261-H263 VanDerWaalsContact C-N 3.34Å; R261-E264 WeakPolarHBondContact CD-OE2 3.38Å; R261-E264 IonicContact CZ-OE2 2.98Å; R261-E264 IonicContact NE-OE2 2.58Å; R261-E264 IonicContact NH1-OE2 3.16Å; R261-E264 PolarHBondContact NH1-OE2 3.48Å; R261-E264 PolarHBondContact O-N 3.28Å; R261-L265 WeakPolarHBondContact O-CG 3.02Å; R261-L265 PolarHBondContact O-N 3.36Å; R261-L265 VanDerWaalsContact O-N 3.08Å; R261-L278 HydrophobicContact CB-CD1 4.18Å; R261-L278 HydrophobicContact CB-CD2 4.45Å; R261-L278 HydrophobicContact CG-CD1 3.99Å; R261-L278 HydrophobicContact CG-CD2 4.32Å
262L94.3Very high88Confident1 Ų168 Ų681%0.00532%0.316CS..Hα-helixtrans-58.9-48.5173.4-179.165.2000110F175 L178 L182 S258 I259 E264 L265 M266 L275 L278 F279 W282F175-L262 HydrophobicContact CD2-CD2 3.97Å; F175-L262 HydrophobicContact CD2-CG 3.9Å; F175-L262 HydrophobicContact CE2-CB 4.31Å; F175-L262 HydrophobicContact CE2-CD2 4.14Å; F175-L262 HydrophobicContact CE2-CG 4.15Å; L178-L262 HydrophobicContact CB-CD2 4.1Å; L178-L262 HydrophobicContact CD1-CD2 4.18Å; L182-L262 HydrophobicContact CD1-CD2 4.28Å; S258-L262 WeakPolarHBondContact O-CB 3.28Å; S258-L262 PolarHBondContact O-N 2.82Å; I259-L262 WeakPolarHBondContact O-CB 3.47Å; I259-L262 PolarHBondContact O-N 2.76Å; L262-E264 VanDerWaalsContact C-N 3.33Å; L262-E264 PolarHBondContact O-N 2.83Å; L262-L265 PolarHBondContact O-N 2.96Å; L262-L265 VanDerWaalsContact O-N 3.13Å; L262-M266 HydrophobicContact CD1-CG 4.1Å; L262-M266 HydrophobicContact CD1-SD 4.46Å; L262-M266 HydrophobicContact CG-CG 4.25Å; L262-M266 VanDerWaalsContact O-CG 3.22Å; L262-M266 WeakPolarHBondContact O-CG 3.23Å; L262-M266 PolarHBondContact O-N 2.84Å; L262-L275 HydrophobicContact CD1-CD1 3.6Å; L262-L278 HydrophobicContact CB-CD2 3.89Å; L262-L278 HydrophobicContact CD1-CD2 4.14Å; L262-F279 HydrophobicContact CD1-CE2 4.05Å; L262-F279 HydrophobicContact CD1-CZ 3.91Å; L262-F279 HydrophobicContact CD2-CZ 4.29Å; L262-W282 HydrophobicContact CD2-CZ3 4.42Å
263H93.9Very high88.2Confident55 Ų5570.8 Ų70.826%0.25533%0.334SS..Hα-helixtrans-57.9-43.6177.3-168.3-177.8000112.6F175 I259 R260 R261 L265 M266 R267F175-H263 HydrophobicContact CD2-CB 4.19Å; F175-H263 HydrophobicContact CE1-CB 4.13Å; F175-H263 AromaticContact CE1-CD2 3.97Å; F175-H263 AromaticContact CE1-CG 3.84Å; F175-H263 HydrophobicContact CE2-CB 3.56Å; F175-H263 HydrophobicContact CZ-CB 3.54Å; F175-H263 AromaticContact CZ-CG 3.76Å; I259-H263 PolarHBondContact O-N 3.44Å; R260-H263 WeakPolarHBondContact O-CB 3.42Å; R260-H263 PolarHBondContact O-N 3.21Å; R261-H263 VanDerWaalsContact C-N 3.34Å; H263-L265 VanDerWaalsContact C-N 3.32Å; H263-L265 PolarHBondContact O-N 2.9Å; H263-M266 PolarHBondContact O-N 3.12Å; H263-R267 PolarHBondContact CD2-NE 2.81Å; H263-R267 VanDerWaalsContact CD2-NE 3.34Å; H263-R267 PolarHBondContact CE1-NH2 2.98Å; H263-R267 VanDerWaalsContact NE2-CZ 3.3Å; H263-R267 PolarHBondContact NE2-NE 3.41Å; H263-R267 PolarHBondContact NE2-NH2 3.26Å; H263-R267 WeakPolarHBondContact O-CG 3.28Å; H263-R267 PolarHBondContact O-N 2.86Å
264E92.3Very high88.3Confident94 Ų9473.7 Ų73.744%0.43934%0.336SS..Hα-helixtrans-60.9-38.9176.4-72.8175.2-179.300113.1R260 R261 L262R260-E264 WeakPolarHBondContact O-CG 3.35Å; R260-E264 PolarHBondContact O-N 3.46Å; R261-E264 WeakPolarHBondContact CD-OE2 3.38Å; R261-E264 IonicContact CZ-OE2 2.98Å; R261-E264 IonicContact NE-OE2 2.58Å; R261-E264 IonicContact NH1-OE2 3.16Å; R261-E264 PolarHBondContact NH1-OE2 3.48Å; R261-E264 PolarHBondContact O-N 3.28Å; L262-E264 VanDerWaalsContact C-N 3.33Å; L262-E264 PolarHBondContact O-N 2.83Å
265L91.9Very high88.2Confident17 Ų1771.4 Ų71.49%0.08933%0.326CS..Hα-helixtrans-70.4-43.3177.8-69.8177000111.3R261 L262 H263 R267 R268 L270 R274 L278R261-L265 WeakPolarHBondContact O-CG 3.02Å; R261-L265 PolarHBondContact O-N 3.36Å; R261-L265 VanDerWaalsContact O-N 3.08Å; L262-L265 PolarHBondContact O-N 2.96Å; L262-L265 VanDerWaalsContact O-N 3.13Å; H263-L265 VanDerWaalsContact C-N 3.32Å; H263-L265 PolarHBondContact O-N 2.9Å; L265-R267 PolarHBondContact O-N 3.27Å; L265-R268 PolarHBondContact O-N 3.36Å; L265-L270 HydrophobicContact CB-CD2 4.32Å; L265-L270 VanDerWaalsContact O-CD2 3.29Å; L265-L270 WeakPolarHBondContact O-CD2 3.44Å; L265-R274 HydrophobicContact CD2-CB 4.1Å; L265-L278 HydrophobicContact CD1-CB 4.26Å; L265-L278 HydrophobicContact CD1-CD2 3.86Å
266M90.8Very high88.2Confident1 Ų175.6 Ų75.61%0.00535%0.345CS..Hα-helixtrans-70.3-11.7-178.5-62.8-61.7-71.800113.9Q171 L174 F175 L262 H263 R268 L270 L275Q171-M266 HydrophobicContact CB-CE 3.72Å; Q171-M266 WeakPolarHBondContact CB-O 3.23Å; Q171-M266 HydrophobicContact CG-CE 4.15Å; Q171-M266 WeakPolarHBondContact O-CE 3.13Å; Q171-M266 PolarHBondContact OE1-O 3.38Å; L174-M266 HydrophobicContact CB-CE 4.04Å; L174-M266 HydrophobicContact CD2-CE 3.83Å; L174-M266 HydrophobicContact CG-CE 4.07Å; F175-M266 HydrophobicContact CB-CB 4.18Å; F175-M266 HydrophobicContact CB-CG 4.15Å; F175-M266 HydrophobicContact CD2-CG 4.41Å; L262-M266 HydrophobicContact CD1-CG 4.1Å; L262-M266 HydrophobicContact CD1-SD 4.46Å; L262-M266 HydrophobicContact CG-CG 4.25Å; L262-M266 VanDerWaalsContact O-CG 3.22Å; L262-M266 WeakPolarHBondContact O-CG 3.23Å; L262-M266 PolarHBondContact O-N 2.84Å; H263-M266 PolarHBondContact O-N 3.12Å; M266-R268 VanDerWaalsContact C-N 3.32Å; M266-L270 HydrophobicContact CE-CD1 4.26Å; M266-L270 HydrophobicContact SD-CD1 3.73Å; M266-L270 HydrophobicContact SD-CD2 4.02Å; M266-L270 HydrophobicContact SD-CG 4.43Å; M266-L275 HydrophobicContact SD-CD1 4.43Å
267R90.5Very high88.3Confident149 Ų14975.6 Ų75.656%0.56235%0.346SS*.THydrogen-bonded Turntrans-85.50.7174-78.9179.5179-165.2-2.9114.2L172 H263 L265L172-R267 HydrophobicContact CD2-CG 3.95Å; H263-R267 PolarHBondContact CD2-NE 2.81Å; H263-R267 VanDerWaalsContact CD2-NE 3.34Å; H263-R267 PolarHBondContact CE1-NH2 2.98Å; H263-R267 VanDerWaalsContact NE2-CZ 3.3Å; H263-R267 PolarHBondContact NE2-NE 3.41Å; H263-R267 PolarHBondContact NE2-NH2 3.26Å; H263-R267 WeakPolarHBondContact O-CG 3.28Å; H263-R267 PolarHBondContact O-N 2.86Å; L265-R267 PolarHBondContact O-N 3.27Å
268R85.5Confident88.3Confident153 Ų15370.3 Ų70.358%0.57732%0.321SS*.SBendtrans-126.6153-176.8-61-179.1-174.7-171.90.9108.5Q171 L265 M266 L270Q171-R268 PolarHBondContact OE1-O 3.15Å; L265-R268 PolarHBondContact O-N 3.36Å; M266-R268 VanDerWaalsContact C-N 3.32Å; R268-L270 PolarHBondContact O-N 3.24Å
269P74.4Confident88.4Confident83 Ų8370 Ų7054%0.53932%0.32SS..  trans-53.9116.4168.122.6-31.6000108.5
270L74.3Confident88.3Confident38 Ų3871 Ų7120%0.19933%0.325CS..  trans-69.5144.7-165.8-76.3169.9000110.8Q171 F216 L265 M266 R268Q171-L270 HydrophobicContact CG-CD1 3.92Å; Q171-L270 VanDerWaalsContact NE2-CD1 3.28Å; Q171-L270 VanDerWaalsContact NE2-CG 3.32Å; F216-L270 HydrophobicContact CD2-CD1 4.08Å; F216-L270 HydrophobicContact CE1-CD1 4.41Å; F216-L270 HydrophobicContact CE2-CD1 3.73Å; F216-L270 HydrophobicContact CZ-CD1 3.91Å; L265-L270 HydrophobicContact CB-CD2 4.32Å; L265-L270 VanDerWaalsContact O-CD2 3.29Å; L265-L270 WeakPolarHBondContact O-CD2 3.44Å; M266-L270 HydrophobicContact CE-CD1 4.26Å; M266-L270 HydrophobicContact SD-CD1 3.73Å; M266-L270 HydrophobicContact SD-CD2 4.02Å; M266-L270 HydrophobicContact SD-CG 4.43Å; R268-L270 PolarHBondContact O-N 3.24Å
271S68.9Low88.3Confident38 Ų3871.5 Ų71.527%0.26633%0.327SS..  trans-114.7118.3162.761.30000107.5T273 R274S271-T273 PolarHBondContact O-N 3.14Å; S271-R274 PolarHBondContact O-N 3.36Å; S271-R274 VanDerWaalsContact O-N 3.09Å; S271-R274 PolarHBondContact OG-NE 3.49Å; S271-R274 PolarHBondContact OG-NH2 3.23Å
272D76.1Confident88.3Confident88 Ų8865.5 Ų65.547%0.47130%0.304SS..Hα-helixtrans-48.1-39.6-172.5-58.2-5.5000113F216 R274 L275 Q276F216-D272 VanDerWaalsContact CB-OD1 3.26Å; F216-D272 WeakPolarHBondContact CB-OD1 3.38Å; D272-R274 PolarHBondContact O-N 3.15Å; D272-L275 PolarHBondContact O-N 2.94Å; D272-Q276 WeakPolarHBondContact O-CB 3.43Å; D272-Q276 PolarHBondContact O-N 3.07Å
273T87.4Confident88.1Confident88 Ų8866 Ų6654%0.5431%0.306SS..Hα-helixtrans-59.5-40.4-17755.60000114S271 Q277S271-T273 PolarHBondContact O-N 3.14Å; T273-Q277 WeakPolarHBondContact O-CB 3.31Å; T273-Q277 WeakPolarHBondContact O-CG 3.36Å; T273-Q277 PolarHBondContact O-N 3.19Å
274R89.7Confident87.9Confident122 Ų12266.7 Ų66.746%0.4632%0.317SS..Hα-helixtrans-74.1-37-178.2-77.8-174.1-84.5-170.1-5.7112.1L265 S271 D272 L278L265-R274 HydrophobicContact CD2-CB 4.1Å; S271-R274 PolarHBondContact O-N 3.36Å; S271-R274 VanDerWaalsContact O-N 3.09Å; S271-R274 PolarHBondContact OG-NE 3.49Å; S271-R274 PolarHBondContact OG-NH2 3.23Å; D272-R274 PolarHBondContact O-N 3.15Å; R274-L278 PolarHBondContact O-N 2.9Å; R274-L278 VanDerWaalsContact O-N 3.13Å
275L90.7Very high87.6Confident4 Ų462.6 Ų62.62%0.02130%0.299CS..Hα-helixtrans-67.3-44.8176.6-171.866.7000110.3F216 M221 L262 M266 D272 Q277 L278 F279F216-L275 HydrophobicContact CD2-CD2 3.76Å; F216-L275 HydrophobicContact CE2-CD2 3.88Å; M221-L275 HydrophobicContact SD-CD2 4.13Å; M221-L275 HydrophobicContact SD-CG 4.15Å; L262-L275 HydrophobicContact CD1-CD1 3.6Å; M266-L275 HydrophobicContact SD-CD1 4.43Å; D272-L275 PolarHBondContact O-N 2.94Å; L275-Q277 PolarHBondContact O-N 2.97Å; L275-L278 WeakPolarHBondContact O-CB 3.14Å; L275-L278 PolarHBondContact O-N 3.28Å; L275-F279 HydrophobicContact CD1-CD2 4.15Å; L275-F279 HydrophobicContact CD1-CE2 3.72Å; L275-F279 HydrophobicContact CG-CD2 4.07Å; L275-F279 HydrophobicContact CG-CE2 3.98Å; L275-F279 WeakPolarHBondContact O-CD2 3.49Å; L275-F279 PolarHBondContact O-N 3.36Å; L275-F279 VanDerWaalsContact O-N 3.08Å
276Q91.7Very high87.3Confident94 Ų9461.8 Ų61.844%0.43930%0.295SS..Hα-helixtrans-58.9-48.5175.5-172.6173.1-10.700111.9M221 D272 L278 F279 D280M221-Q276 HydrophobicContact CE-CB 3.53Å; M221-Q276 HydrophobicContact CE-CG 3.96Å; D272-Q276 WeakPolarHBondContact O-CB 3.43Å; D272-Q276 PolarHBondContact O-N 3.07Å; Q276-L278 VanDerWaalsContact C-N 3.27Å; Q276-L278 PolarHBondContact O-N 3.38Å; Q276-F279 PolarHBondContact O-N 3.33Å; Q276-D280 WeakPolarHBondContact O-CB 3.41Å; Q276-D280 PolarHBondContact O-N 3.07Å
277Q92.6Very high86.7Confident105 Ų10561.8 Ų61.849%0.49130%0.295SS..Hα-helixtrans-60.2-34.9177.2-75.4173.44.600113.3T273 L275 R281T273-Q277 WeakPolarHBondContact O-CB 3.31Å; T273-Q277 WeakPolarHBondContact O-CG 3.36Å; T273-Q277 PolarHBondContact O-N 3.19Å; L275-Q277 PolarHBondContact O-N 2.97Å; Q277-R281 WeakPolarHBondContact O-CB 3.25Å; Q277-R281 VanDerWaalsContact O-CG 3.29Å; Q277-R281 WeakPolarHBondContact O-CG 3.48Å; Q277-R281 PolarHBondContact O-N 3.23Å; Q277-R281 VanDerWaalsContact O-N 3.15Å
278L94.5Very high86.1Confident20 Ų2061.7 Ų61.711%0.10530%0.295CS..Hα-helixtrans-64.7-52.7175.617764.3000110.3R261 L262 L265 R274 L275 Q276 D280 R281 W282R261-L278 HydrophobicContact CB-CD1 4.18Å; R261-L278 HydrophobicContact CB-CD2 4.45Å; R261-L278 HydrophobicContact CG-CD1 3.99Å; R261-L278 HydrophobicContact CG-CD2 4.32Å; L262-L278 HydrophobicContact CB-CD2 3.89Å; L262-L278 HydrophobicContact CD1-CD2 4.14Å; L265-L278 HydrophobicContact CD1-CB 4.26Å; L265-L278 HydrophobicContact CD1-CD2 3.86Å; R274-L278 PolarHBondContact O-N 2.9Å; R274-L278 VanDerWaalsContact O-N 3.13Å; L275-L278 WeakPolarHBondContact O-CB 3.14Å; L275-L278 PolarHBondContact O-N 3.28Å; Q276-L278 VanDerWaalsContact C-N 3.27Å; Q276-L278 PolarHBondContact O-N 3.38Å; L278-D280 VanDerWaalsContact C-N 3.34Å; L278-D280 PolarHBondContact O-N 3.01Å; L278-R281 PolarHBondContact O-N 2.96Å; L278-W282 WeakPolarHBondContact O-CB 3.5Å; L278-W282 PolarHBondContact O-N 2.95Å
279F94.9Very high85.5Confident0 Ų057.6 Ų57.60%028%0.279CS..Hα-helixtrans-66.9-33-179.6-78.4-62.8000112.9L182 M221 I225 I228 L262 L275 Q276 W282 H283L182-F279 HydrophobicContact CD1-CE1 4.44Å; M221-F279 HydrophobicContact CG-CB 4.31Å; M221-F279 HydrophobicContact CG-CD2 4.06Å; M221-F279 HydrophobicContact CG-CG 4.41Å; M221-F279 HydrophobicContact SD-CD2 3.83Å; M221-F279 HydrophobicContact SD-CE2 4.41Å; I225-F279 HydrophobicContact CD1-CD2 4.24Å; I225-F279 HydrophobicContact CD1-CE1 4.21Å; I225-F279 HydrophobicContact CD1-CE2 3.86Å; I225-F279 HydrophobicContact CD1-CZ 3.85Å; I225-F279 HydrophobicContact CG1-CD1 3.75Å; I225-F279 HydrophobicContact CG1-CD2 4.27Å; I225-F279 HydrophobicContact CG1-CE1 3.6Å; I225-F279 HydrophobicContact CG1-CE2 4.11Å; I225-F279 HydrophobicContact CG1-CG 4.09Å; I225-F279 HydrophobicContact CG1-CZ 3.79Å; I228-F279 HydrophobicContact CD1-CD1 4Å; L262-F279 HydrophobicContact CD1-CE2 4.05Å; L262-F279 HydrophobicContact CD1-CZ 3.91Å; L262-F279 HydrophobicContact CD2-CZ 4.29Å; L275-F279 HydrophobicContact CD1-CD2 4.15Å; L275-F279 HydrophobicContact CD1-CE2 3.72Å; L275-F279 HydrophobicContact CG-CD2 4.07Å; L275-F279 HydrophobicContact CG-CE2 3.98Å; L275-F279 WeakPolarHBondContact O-CD2 3.49Å; L275-F279 PolarHBondContact O-N 3.36Å; L275-F279 VanDerWaalsContact O-N 3.08Å; Q276-F279 PolarHBondContact O-N 3.33Å; F279-W282 AromaticContact CD1-CE3 3.91Å; F279-W282 HydrophobicContact CD1-CE3 3.91Å; F279-W282 AromaticContact CE1-CE3 3.79Å; F279-W282 HydrophobicContact CE1-CE3 3.79Å; F279-W282 AromaticContact CE1-CZ3 3.94Å; F279-W282 HydrophobicContact CE1-CZ3 3.94Å; F279-W282 PolarHBondContact O-N 3.41Å; F279-H283 WeakPolarHBondContact O-CB 3.49Å; F279-H283 PolarHBondContact O-N 3.41Å
280D92.6Very high85.2Confident48 Ų4853.9 Ų53.926%0.25726%0.255SS..Hα-helixtrans-61.4-49.9173.4-71.4-18.4000111.2K224 Q276 L278 W282 H283 S284K224-D280 IonicContact NZ-OD1 3.19Å; K224-D280 PolarHBondContact NZ-OD1 3.28Å; Q276-D280 WeakPolarHBondContact O-CB 3.41Å; Q276-D280 PolarHBondContact O-N 3.07Å; L278-D280 VanDerWaalsContact C-N 3.34Å; L278-D280 PolarHBondContact O-N 3.01Å; D280-W282 VanDerWaalsContact C-N 3.31Å; D280-W282 PolarHBondContact O-N 3.24Å; D280-H283 PolarHBondContact O-N 2.97Å; D280-S284 PolarHBondContact O-N 3.1Å; D280-S284 PolarHBondContact O-OG 3.41Å; D280-S284 VanDerWaalsContact O-OG 3.11Å
281R93.8Very high85Confident178 Ų17853 Ų5367%0.67225%0.249SC*.Hα-helixtrans-63.7-39.5176.8-71.9176-177-173.62111.8Q277 L278 C285Q277-R281 WeakPolarHBondContact O-CB 3.25Å; Q277-R281 VanDerWaalsContact O-CG 3.29Å; Q277-R281 WeakPolarHBondContact O-CG 3.48Å; Q277-R281 PolarHBondContact O-N 3.23Å; Q277-R281 VanDerWaalsContact O-N 3.15Å; L278-R281 PolarHBondContact O-N 2.96Å; R281-C285 VanDerWaalsContact O-CB 3.26Å; R281-C285 WeakPolarHBondContact O-CB 3.35Å; R281-C285 PolarHBondContact O-N 3.22Å
282W93.8Very high84.7Confident0 Ų055.1 Ų55.10%026%0.261CS..Hα-helixtrans-64.6-47.1178.9-160.3-7.6000111.1L182 I228 F254 H255 I259 L262 L278 F279 D280 C285 V286L182-W282 HydrophobicContact CB-CH2 4.4Å; L182-W282 HydrophobicContact CD1-CH2 3.57Å; L182-W282 HydrophobicContact CD1-CZ2 4.4Å; L182-W282 HydrophobicContact CD1-CZ3 3.74Å; L182-W282 HydrophobicContact CD2-CH2 4.44Å; L182-W282 HydrophobicContact CG-CH2 4.35Å; I228-W282 HydrophobicContact CD1-CB 3.92Å; I228-W282 HydrophobicContact CD1-CD2 4.3Å; I228-W282 HydrophobicContact CD1-CG 3.94Å; I228-W282 HydrophobicContact CG2-CD2 4.25Å; I228-W282 HydrophobicContact CG2-CG 4.35Å; F254-W282 AromaticContact CE1-CD1 3.86Å; F254-W282 HydrophobicContact CE1-CG 4.36Å; H255-W282 AromaticContact CE1-CZ2 3.59Å; H255-W282 AromaticContact ND1-CE2 3.77Å; H255-W282 AromaticContact ND1-CZ2 3.35Å; H255-W282 WeakPolarHBondContact ND1-CZ2 3.34Å; H255-W282 AromaticContact ND1-NE1 3.6Å; I259-W282 HydrophobicContact CG1-CH2 3.67Å; I259-W282 HydrophobicContact CG1-CZ2 4.04Å; L262-W282 HydrophobicContact CD2-CZ3 4.42Å; L278-W282 WeakPolarHBondContact O-CB 3.5Å; L278-W282 PolarHBondContact O-N 2.95Å; F279-W282 AromaticContact CD1-CE3 3.91Å; F279-W282 HydrophobicContact CD1-CE3 3.91Å; F279-W282 AromaticContact CE1-CE3 3.79Å; F279-W282 HydrophobicContact CE1-CE3 3.79Å; F279-W282 AromaticContact CE1-CZ3 3.94Å; F279-W282 HydrophobicContact CE1-CZ3 3.94Å; F279-W282 PolarHBondContact O-N 3.41Å; D280-W282 VanDerWaalsContact C-N 3.31Å; D280-W282 PolarHBondContact O-N 3.24Å; W282-C285 PolarHBondContact O-N 3.35Å; W282-V286 WeakPolarHBondContact O-CB 3.49Å; W282-V286 WeakPolarHBondContact O-CG2 3.31Å; W282-V286 PolarHBondContact O-N 2.99Å
283H91Very high83.7Confident10 Ų1053.8 Ų53.85%0.04626%0.257CS..Hα-helixtrans-58.2-51.7176.2-169.5-87.8000111.8K224 Y227 I228 F279 D280 C285 V286 S287 E480K224-H283 HydrophobicContact CB-CB 4.36Å; K224-H283 HydrophobicContact CD-CB 4.41Å; K224-H283 HydrophobicContact CG-CB 4.27Å; Y227-H283 AromaticContact CD1-CD2 3.54Å; Y227-H283 AromaticContact CD1-CE1 3.97Å; Y227-H283 AromaticContact CD1-NE2 3.12Å; Y227-H283 WeakPolarHBondContact CD1-NE2 3.37Å; Y227-H283 AromaticContact CE1-NE2 3.8Å; Y227-H283 AromaticContact CG-NE2 3.33Å; Y227-H283 VanDerWaalsContact CG-NE2 3.33Å; I228-H283 HydrophobicContact CD1-CB 4.18Å; I228-H283 HydrophobicContact CG1-CB 4.39Å; F279-H283 WeakPolarHBondContact O-CB 3.49Å; F279-H283 PolarHBondContact O-N 3.41Å; D280-H283 PolarHBondContact O-N 2.97Å; H283-C285 VanDerWaalsContact C-N 3.3Å; H283-C285 PolarHBondContact O-N 3.3Å; H283-V286 PolarHBondContact O-N 2.9Å; H283-S287 PolarHBondContact CE1-OG 3.13Å; H283-S287 VanDerWaalsContact CE1-OG 3.28Å; H283-S287 PolarHBondContact ND1-OG 3.48Å; H283-S287 VanDerWaalsContact O-CB 3.24Å; H283-S287 WeakPolarHBondContact O-CB 3.3Å; H283-S287 PolarHBondContact O-N 3.24Å; H283-S287 PolarHBondContact O-OG 2.99Å; H283-E480 IonicContact CE1-OE1 3.48Å; H283-E480 PolarHBondContact CE1-OE1 3.37Å; H283-E480 IonicContact ND1-OE1 2.63Å; H283-E480 PolarHBondContact ND1-OE1 2.98Å; H283-E480 VanDerWaalsContact ND1-OE1 3.1Å
284S87.9Confident82.2Confident70 Ų7051 Ų5149%0.4924%0.238SC..Hα-helixtrans-61.9-37.8178.9-59.70000112.3D280 R288D280-S284 PolarHBondContact O-N 3.1Å; D280-S284 PolarHBondContact O-OG 3.41Å; D280-S284 VanDerWaalsContact O-OG 3.11Å; S284-R288 WeakPolarHBondContact O-CB 3.26Å; S284-R288 PolarHBondContact O-N 2.96Å; S284-R288 VanDerWaalsContact O-N 3.09Å
285C87.1Confident80.6Confident8 Ų845.8 Ų45.85%0.05422%0.22CC..Hα-helixtrans-66.8-49.9178.1-171.90000111.5F254 R281 W282 H283 R288 R289F254-C285 HydrophobicContact CD1-CB 3.94Å; F254-C285 WeakPolarHBondContact CD1-SG 3.45Å; F254-C285 HydrophobicContact CE1-CB 3.45Å; F254-C285 VanDerWaalsContact CE1-CB 3.45Å; F254-C285 HydrophobicContact CZ-CB 3.77Å; R281-C285 VanDerWaalsContact O-CB 3.26Å; R281-C285 WeakPolarHBondContact O-CB 3.35Å; R281-C285 PolarHBondContact O-N 3.22Å; W282-C285 PolarHBondContact O-N 3.35Å; H283-C285 VanDerWaalsContact C-N 3.3Å; H283-C285 PolarHBondContact O-N 3.3Å; C285-R288 PolarHBondContact O-N 2.78Å; C285-R289 VanDerWaalsContact O-CB 3.29Å; C285-R289 WeakPolarHBondContact O-CB 3.39Å; C285-R289 WeakPolarHBondContact O-CG 3Å; C285-R289 PolarHBondContact O-N 2.97Å
286V84.5Confident79.3Confident0 Ų048.2 Ų48.20%024%0.238CC..Hα-helixtrans-61.7-52.6178.4171.70000109.6Y227 I228 K231 I232 L251 W282 H283 R288 R289 T290Y227-V286 HydrophobicContact CE1-CG1 4.29Å; I228-V286 HydrophobicContact CG2-CG2 4.29Å; K231-V286 HydrophobicContact CB-CG1 3.61Å; K231-V286 HydrophobicContact CG-CG1 4.26Å; I232-V286 HydrophobicContact CD1-CG2 4.19Å; L251-V286 HydrophobicContact CD1-CG2 4.23Å; W282-V286 WeakPolarHBondContact O-CB 3.49Å; W282-V286 WeakPolarHBondContact O-CG2 3.31Å; W282-V286 PolarHBondContact O-N 2.99Å; H283-V286 PolarHBondContact O-N 2.9Å; V286-R288 VanDerWaalsContact C-N 3.28Å; V286-R288 PolarHBondContact O-N 2.79Å; V286-R289 PolarHBondContact O-N 3.4Å; V286-R289 VanDerWaalsContact O-N 3.13Å; V286-T290 HydrophobicContact CG1-CG2 3.8Å; V286-T290 WeakPolarHBondContact O-CB 3.47Å; V286-T290 VanDerWaalsContact O-CG2 3.25Å; V286-T290 WeakPolarHBondContact O-CG2 3.48Å; V286-T290 PolarHBondContact O-N 2.85Å; V286-T290 PolarHBondContact O-OG1 3.37Å
287S80Confident78.2Confident1 Ų149.9 Ų49.91%0.00724%0.243CC..Hα-helixtrans-55.5-41.1-179.8-56.90000113.1Y227 H283 T290 W291Y227-S287 WeakPolarHBondContact CE1-OG 3.44Å; H283-S287 PolarHBondContact CE1-OG 3.13Å; H283-S287 VanDerWaalsContact CE1-OG 3.28Å; H283-S287 PolarHBondContact ND1-OG 3.48Å; H283-S287 VanDerWaalsContact O-CB 3.24Å; H283-S287 WeakPolarHBondContact O-CB 3.3Å; H283-S287 PolarHBondContact O-N 3.24Å; H283-S287 PolarHBondContact O-OG 2.99Å; S287-T290 PolarHBondContact O-OG1 2.87Å; S287-W291 VanDerWaalsContact O-CB 3.25Å; S287-W291 WeakPolarHBondContact O-CB 3.29Å; S287-W291 PolarHBondContact O-N 3.11Å
288R76.5Confident77.1Confident148 Ų14848.9 Ų48.956%0.55825%0.245SC*.Hα-helixtrans-73.9-41177.6-175.1178.261.7-170.8-1.9112.6S284 C285 V286 W291 V292S284-R288 WeakPolarHBondContact O-CB 3.26Å; S284-R288 PolarHBondContact O-N 2.96Å; S284-R288 VanDerWaalsContact O-N 3.09Å; C285-R288 PolarHBondContact O-N 2.78Å; V286-R288 VanDerWaalsContact C-N 3.28Å; V286-R288 PolarHBondContact O-N 2.79Å; R288-W291 WeakPolarHBondContact O-CB 3.33Å; R288-V292 WeakPolarHBondContact O-CG2 3.43Å; R288-V292 PolarHBondContact O-N 3.15Å
289R73.3Confident76Confident66 Ų6652.7 Ų52.725%0.24926%0.262CS..Hα-helixtrans-85-20.2-175.1-72.7-175.3171.1172.5-10.5113.8D250 L251 C285 V286 P293D250-R289 PolarHBondContact O-NH1 2.77Å; L251-R289 HydrophobicContact CB-CB 4.44Å; L251-R289 HydrophobicContact CD1-CB 3.99Å; L251-R289 HydrophobicContact CD2-CB 4.02Å; L251-R289 HydrophobicContact CG-CB 4.38Å; C285-R289 VanDerWaalsContact O-CB 3.29Å; C285-R289 WeakPolarHBondContact O-CB 3.39Å; C285-R289 WeakPolarHBondContact O-CG 3Å; C285-R289 PolarHBondContact O-N 2.97Å; V286-R289 PolarHBondContact O-N 3.4Å; V286-R289 VanDerWaalsContact O-N 3.13Å; R289-P293 WeakPolarHBondContact O-CD 3.4Å; R289-P293 VanDerWaalsContact O-CG 3.29Å; R289-P293 WeakPolarHBondContact O-CG 3.15Å
290T68.7Low75.1Confident5 Ų553 Ų533%0.03126%0.263CS..Hα-helixtrans-77.4-32.4166.958.30000110.3K231 I235 V286 S287 P293 I294K231-T290 HydrophobicContact CB-CG2 3.98Å; K231-T290 HydrophobicContact CG-CG2 4.42Å; I235-T290 HydrophobicContact CD1-CG2 3.63Å; I235-T290 HydrophobicContact CG1-CG2 4.37Å; V286-T290 HydrophobicContact CG1-CG2 3.8Å; V286-T290 WeakPolarHBondContact O-CB 3.47Å; V286-T290 VanDerWaalsContact O-CG2 3.25Å; V286-T290 WeakPolarHBondContact O-CG2 3.48Å; V286-T290 PolarHBondContact O-N 2.85Å; V286-T290 PolarHBondContact O-OG1 3.37Å; S287-T290 PolarHBondContact O-OG1 2.87Å; T290-P293 WeakPolarHBondContact O-CD 3.45Å; T290-I294 WeakPolarHBondContact O-CB 3.44Å; T290-I294 WeakPolarHBondContact O-CD1 3.19Å; T290-I294 WeakPolarHBondContact O-CG1 3.12Å; T290-I294 PolarHBondContact O-N 3.29Å
291W68.6Low74.5Confident19 Ų1953.3 Ų53.37%0.07226%0.263CS..Hα-helixtrans-61.3-45.4177.5-179-104.9000113.5S287 R288 I294 L300 L397 V476 N477 F482S287-W291 VanDerWaalsContact O-CB 3.25Å; S287-W291 WeakPolarHBondContact O-CB 3.29Å; S287-W291 PolarHBondContact O-N 3.11Å; R288-W291 WeakPolarHBondContact O-CB 3.33Å; W291-I294 PolarHBondContact O-N 2.85Å; W291-L300 HydrophobicContact CH2-CD1 4.18Å; W291-L300 HydrophobicContact CH2-CD2 3.38Å; W291-L300 HydrophobicContact CH2-CG 4.42Å; W291-L300 HydrophobicContact CZ2-CD2 3.46Å; W291-L300 VanDerWaalsContact CZ2-CD2 3.46Å; W291-L397 HydrophobicContact CE3-CD2 4.49Å; W291-L397 HydrophobicContact CZ3-CD1 4.16Å; W291-L397 HydrophobicContact CZ3-CD2 4.04Å; W291-V476 HydrophobicContact CH2-CG1 3.78Å; W291-V476 HydrophobicContact CZ2-CB 4.11Å; W291-V476 HydrophobicContact CZ2-CG1 3.45Å; W291-V476 VanDerWaalsContact CZ2-CG1 3.45Å; W291-N477 VanDerWaalsContact CD1-O 3.27Å; W291-F482 HydrophobicContact CH2-CB 3.5Å; W291-F482 AromaticContact CH2-CD2 3.63Å; W291-F482 HydrophobicContact CH2-CD2 3.63Å; W291-F482 AromaticContact CH2-CG 3.66Å; W291-F482 HydrophobicContact CH2-CG 3.66Å; W291-F482 HydrophobicContact CZ2-CB 4.47Å; W291-F482 HydrophobicContact CZ3-CB 3.59Å; W291-F482 HydrophobicContact CZ3-CD2 4.29Å; W291-F482 AromaticContact CZ3-CG 3.89Å; W291-F482 HydrophobicContact CZ3-CG 3.89Å
292V63.4Low73.9Confident84 Ų8450.8 Ų50.851%0.50926%0.257SS..Hα-helixtrans-58.5-49.4-176.4172.20000113.7R288R288-V292 WeakPolarHBondContact O-CG2 3.43Å; R288-V292 PolarHBondContact O-N 3.15Å
293P56.1Low73.2Confident60 Ų6052.4 Ų52.439%0.3927%0.265SS..Hα-helixtrans-79.1-22.8179.426.3-31.2000114.1F248 R289 T290 S295F248-P293 HydrophobicContact CE1-CB 4.37Å; F248-P293 HydrophobicContact CE1-CG 3.8Å; F248-P293 HydrophobicContact CE2-CB 3.74Å; F248-P293 HydrophobicContact CE2-CG 4.06Å; F248-P293 HydrophobicContact CZ-CB 3.44Å; F248-P293 VanDerWaalsContact CZ-CB 3.44Å; F248-P293 HydrophobicContact CZ-CG 3.34Å; R289-P293 WeakPolarHBondContact O-CD 3.4Å; R289-P293 VanDerWaalsContact O-CG 3.29Å; R289-P293 WeakPolarHBondContact O-CG 3.15Å; T290-P293 WeakPolarHBondContact O-CD 3.45Å; P293-S295 VanDerWaalsContact C-N 3.25Å; P293-S295 PolarHBondContact O-N 2.64Å
294I54.9Low72.9Confident29 Ų2952 Ų5215%0.14926%0.263CS..Hα-helixtrans-72.2-19.8-178.9-75.6168.9000112.5T290 W291 S393 L397T290-I294 WeakPolarHBondContact O-CB 3.44Å; T290-I294 WeakPolarHBondContact O-CD1 3.19Å; T290-I294 WeakPolarHBondContact O-CG1 3.12Å; T290-I294 PolarHBondContact O-N 3.29Å; W291-I294 PolarHBondContact O-N 2.85Å; I294-S393 VanDerWaalsContact CG2-O 3.29Å; I294-S393 WeakPolarHBondContact CG2-O 3.48Å; I294-L397 HydrophobicContact CG2-CD1 4.17Å
295S55.1Low72.9Confident12 Ų1250 Ų508%0.08425%0.246CC..  trans-158.9116.5178.647.30000112.5P293 K297P293-S295 VanDerWaalsContact C-N 3.25Å; P293-S295 PolarHBondContact O-N 2.64Å; S295-K297 PolarHBondContact O-N 2.97Å
296S64.1Low72.8Confident56 Ų5651.7 Ų51.739%0.39225%0.253SS..  trans-53.1136.1144.666.20000106.7V298 E299 L300S296-V298 CarbonylContact O-C 3.51Å; S296-V298 PolarHBondContact O-N 3.07Å; S296-E299 PolarHBondContact N-OE2 2.72Å; S296-E299 VanDerWaalsContact N-OE2 3.13Å; S296-E299 WeakPolarHBondContact O-CA 3.17Å; S296-E299 PolarHBondContact O-N 2.95Å; S296-E299 WeakPolarHBondContact OG-CB 3.31Å; S296-E299 WeakPolarHBondContact OG-CG 3.39Å; S296-E299 PolarHBondContact OG-N 3.4Å; S296-E299 PolarHBondContact OG-OE2 2.95Å; S296-L300 PolarHBondContact O-N 3.26Å; S296-L300 VanDerWaalsContact O-N 3.1Å
297K68.2Low72.8Confident128 Ų12852.1 Ų52.156%0.55726%0.255SS*.Hα-helixtrans-49.5-29.9179.5-69.1-171.7177.5-171.90112S295 E301 Q474S295-K297 PolarHBondContact O-N 2.97Å; K297-E301 WeakPolarHBondContact O-CB 3.44Å; K297-E301 PolarHBondContact O-N 2.91Å; K297-Q474 PolarHBondContact NZ-O 3.49Å
298V69.9Low73.3Confident85 Ų8552.2 Ų52.252%0.51526%0.255SS..Hα-helixtrans-64.7-43.5174.3-179.10000112.8S296 K302S296-V298 CarbonylContact O-C 3.51Å; S296-V298 PolarHBondContact O-N 3.07Å; V298-K302 HydrophobicContact CG1-CD 4.43Å; V298-K302 VanDerWaalsContact O-CG 3.25Å; V298-K302 WeakPolarHBondContact O-CG 3.48Å; V298-K302 PolarHBondContact O-N 3.1Å
299E71.8Confident73.9Confident100 Ų10046.9 Ų46.947%0.46724%0.238SC..Hα-helixtrans-69.1-42.7175.6-75.8158.8162.900111.8S296 E301 K302 E303S296-E299 PolarHBondContact N-OE2 2.72Å; S296-E299 VanDerWaalsContact N-OE2 3.13Å; S296-E299 WeakPolarHBondContact O-CA 3.17Å; S296-E299 PolarHBondContact O-N 2.95Å; S296-E299 WeakPolarHBondContact OG-CB 3.31Å; S296-E299 WeakPolarHBondContact OG-CG 3.39Å; S296-E299 PolarHBondContact OG-N 3.4Å; S296-E299 PolarHBondContact OG-OE2 2.95Å; E299-E301 VanDerWaalsContact C-N 3.31Å; E299-E301 PolarHBondContact O-N 3.15Å; E299-K302 WeakPolarHBondContact O-CB 3.4Å; E299-K302 PolarHBondContact O-N 2.77Å; E299-K302 VanDerWaalsContact O-N 3.11Å; E299-E303 WeakPolarHBondContact O-CG 3.49Å; E299-E303 PolarHBondContact O-N 2.98Å
300L75.2Confident74.8Confident5 Ų544 Ų443%0.02623%0.227CC..Hα-helixtrans-59.6-45.1175.4-176.168.5000111.3W291 S296 K302 E303 C304 L397 L473 F482W291-L300 HydrophobicContact CH2-CD1 4.18Å; W291-L300 HydrophobicContact CH2-CD2 3.38Å; W291-L300 HydrophobicContact CH2-CG 4.42Å; W291-L300 HydrophobicContact CZ2-CD2 3.46Å; W291-L300 VanDerWaalsContact CZ2-CD2 3.46Å; S296-L300 PolarHBondContact O-N 3.26Å; S296-L300 VanDerWaalsContact O-N 3.1Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 3.4Å; L300-E303 PolarHBondContact O-N 2.99Å; L300-C304 WeakPolarHBondContact O-CB 3.39Å; L300-C304 PolarHBondContact O-N 3.38Å; L300-C304 PolarHBondContact O-SG 3.1Å; L300-L397 HydrophobicContact CD1-CD1 3.8Å; L300-L473 HydrophobicContact CD2-CD2 3.98Å; L300-L473 HydrophobicContact CG-CD2 4.3Å; L300-F482 HydrophobicContact CD1-CD2 4.3Å; L300-F482 HydrophobicContact CD1-CE2 3.78Å; L300-F482 HydrophobicContact CD1-CZ 4.14Å; L300-F482 HydrophobicContact CD2-CD2 4.09Å; L300-F482 HydrophobicContact CD2-CE2 4.12Å; L300-F482 HydrophobicContact CG-CE2 4.2Å
301E81.7Confident75.9Confident56 Ų5643.7 Ų43.726%0.26223%0.226SC..Hα-helixtrans-58.4-47174.6-172.2-174.5159.400110.4K297 E299 E303 C304 M305 R470K297-E301 WeakPolarHBondContact O-CB 3.44Å; K297-E301 PolarHBondContact O-N 2.91Å; E299-E301 VanDerWaalsContact C-N 3.31Å; E299-E301 PolarHBondContact O-N 3.15Å; E301-E303 PolarHBondContact O-N 3.24Å; E301-C304 PolarHBondContact O-N 2.82Å; E301-M305 HydrophobicContact CG-CG 4.11Å; E301-M305 VanDerWaalsContact O-CB 3.28Å; E301-M305 WeakPolarHBondContact O-CB 3.3Å; E301-M305 WeakPolarHBondContact O-CG 3.49Å; E301-M305 PolarHBondContact O-N 3.43Å; E301-R470 HydrophobicContact CG-CG 4.41Å; E301-R470 WeakPolarHBondContact OE1-CD 3.48Å; E301-R470 VanDerWaalsContact OE1-CG 3.28Å; E301-R470 WeakPolarHBondContact OE1-CG 3.5Å; E301-R470 IonicContact OE1-NE 3.95Å; E301-R470 PolarHBondContact OE1-NE 3.24Å
302K80.2Confident77.1Confident125 Ų12543 Ų4354%0.54322%0.223SC..Hα-helixtrans-57.1-46.4176.5-75.9170.3-178.81770112.2V298 E299 L300 M305 K306V298-K302 HydrophobicContact CG1-CD 4.43Å; V298-K302 VanDerWaalsContact O-CG 3.25Å; V298-K302 WeakPolarHBondContact O-CG 3.48Å; V298-K302 PolarHBondContact O-N 3.1Å; E299-K302 WeakPolarHBondContact O-CB 3.4Å; E299-K302 PolarHBondContact O-N 2.77Å; E299-K302 VanDerWaalsContact O-N 3.11Å; L300-K302 VanDerWaalsContact C-N 3.33Å; L300-K302 PolarHBondContact O-N 3.4Å; K302-M305 PolarHBondContact O-N 3.44Å; K302-K306 WeakPolarHBondContact O-CG 3.38Å; K302-K306 PolarHBondContact O-N 3.24Å
303E79.2Confident78.4Confident34 Ų3439.4 Ų39.416%0.15920%0.201CC..Hα-helixtrans-66.4-43.7179.4-63.2-49.913200112.2E299 L300 E301 M305 K306 I307E299-E303 WeakPolarHBondContact O-CG 3.49Å; E299-E303 PolarHBondContact O-N 2.98Å; L300-E303 PolarHBondContact O-N 2.99Å; E301-E303 PolarHBondContact O-N 3.24Å; E303-M305 VanDerWaalsContact C-N 3.29Å; E303-M305 PolarHBondContact O-N 2.81Å; E303-K306 WeakPolarHBondContact O-CB 3.12Å; E303-K306 PolarHBondContact O-N 3.02Å; E303-K306 VanDerWaalsContact O-N 3.15Å; E303-K306 WeakPolarHBondContact OE1-CE 3.16Å; E303-K306 IonicContact OE1-NZ 3.15Å; E303-K306 PolarHBondContact OE1-NZ 3.03Å; E303-K306 WeakPolarHBondContact OE2-CD 3.18Å; E303-K306 IonicContact OE2-NZ 3.38Å; E303-K306 PolarHBondContact OE2-NZ 3.22Å; E303-I307 PolarHBondContact O-N 3.49Å
304C84.3Confident80Confident2 Ų240.5 Ų40.51%0.01420%0.2CC..Hα-helixtrans-63.8-37.4175.2-65.30000111.7L300 E301 K306 I307 A308 L473L300-C304 WeakPolarHBondContact O-CB 3.39Å; L300-C304 PolarHBondContact O-N 3.38Å; L300-C304 PolarHBondContact O-SG 3.1Å; E301-C304 PolarHBondContact O-N 2.82Å; C304-K306 VanDerWaalsContact C-N 3.32Å; C304-I307 WeakPolarHBondContact O-CB 3.49Å; C304-I307 PolarHBondContact O-N 3.39Å; C304-A308 PolarHBondContact O-N 3.47Å; C304-L473 HydrophobicContact CB-CD1 3.75Å
305M87.4Confident81.6Confident26 Ų2642.4 Ų42.413%0.12821%0.208CC..Hα-helixtrans-69.5-28.9175.7-69.6-56.4100.300112.1E301 K302 E303 A308 D309 L469 R470E301-M305 HydrophobicContact CG-CG 4.11Å; E301-M305 VanDerWaalsContact O-CB 3.28Å; E301-M305 WeakPolarHBondContact O-CB 3.3Å; E301-M305 WeakPolarHBondContact O-CG 3.49Å; E301-M305 PolarHBondContact O-N 3.43Å; K302-M305 PolarHBondContact O-N 3.44Å; E303-M305 VanDerWaalsContact C-N 3.29Å; E303-M305 PolarHBondContact O-N 2.81Å; M305-A308 PolarHBondContact O-N 3.32Å; M305-D309 VanDerWaalsContact O-CB 3.23Å; M305-D309 WeakPolarHBondContact O-CB 3.25Å; M305-D309 PolarHBondContact O-N 2.71Å; M305-L469 HydrophobicContact CE-CB 4.5Å; M305-L469 HydrophobicContact CE-CD2 3.5Å; M305-L469 HydrophobicContact CE-CG 3.87Å; M305-R470 PolarHBondContact SD-NH2 3.48Å; M305-R470 VanDerWaalsContact SD-NH2 3.36Å
306K85.2Confident83.2Confident45 Ų4542.8 Ų42.820%0.19621%0.214CC..Hα-helixtrans-61.7-45.4168.6-69.9173.3-167.51710110.6K302 E303 C304 A308 D309 Y310 I363K302-K306 WeakPolarHBondContact O-CG 3.38Å; K302-K306 PolarHBondContact O-N 3.24Å; E303-K306 WeakPolarHBondContact O-CB 3.12Å; E303-K306 PolarHBondContact O-N 3.02Å; E303-K306 VanDerWaalsContact O-N 3.15Å; E303-K306 WeakPolarHBondContact OE1-CE 3.16Å; E303-K306 IonicContact OE1-NZ 3.15Å; E303-K306 PolarHBondContact OE1-NZ 3.03Å; E303-K306 WeakPolarHBondContact OE2-CD 3.18Å; E303-K306 IonicContact OE2-NZ 3.38Å; E303-K306 PolarHBondContact OE2-NZ 3.22Å; C304-K306 VanDerWaalsContact C-N 3.32Å; K306-A308 VanDerWaalsContact C-N 3.32Å; K306-A308 PolarHBondContact O-N 2.89Å; K306-D309 WeakPolarHBondContact O-CB 3.18Å; K306-D309 PolarHBondContact O-N 3.33Å; K306-Y310 WeakPolarHBondContact O-CD2 3.37Å; K306-Y310 PolarHBondContact O-N 3.28Å; K306-I363 HydrophobicContact CB-CG2 4.31Å; K306-I363 HydrophobicContact CD-CD1 3.92Å; K306-I363 HydrophobicContact CD-CG1 4.41Å; K306-I363 HydrophobicContact CD-CG2 4.39Å; K306-I363 HydrophobicContact CG-CD1 4.16Å
307I86Confident84.4Confident9 Ų948.2 Ų48.25%0.04623%0.23CC..Hα-helixtrans-58.6-47.6175.7-66179.3000110.4E303 C304 D309 Y310 F311 F398E303-I307 PolarHBondContact O-N 3.49Å; C304-I307 WeakPolarHBondContact O-CB 3.49Å; C304-I307 PolarHBondContact O-N 3.39Å; I307-D309 VanDerWaalsContact C-N 3.32Å; I307-D309 PolarHBondContact O-N 2.89Å; I307-Y310 PolarHBondContact O-N 3.42Å; I307-F311 HydrophobicContact CB-CD2 4.48Å; I307-F311 HydrophobicContact CG2-CB 4.37Å; I307-F311 HydrophobicContact CG2-CD2 3.85Å; I307-F311 HydrophobicContact CG2-CG 4.35Å; I307-F311 WeakPolarHBondContact O-CB 3.49Å; I307-F311 PolarHBondContact O-N 2.7Å; I307-F398 HydrophobicContact CD1-CD1 3.41Å; I307-F398 VanDerWaalsContact CD1-CD1 3.41Å; I307-F398 HydrophobicContact CD1-CD2 3.73Å; I307-F398 HydrophobicContact CD1-CE1 3.19Å; I307-F398 HydrophobicContact CD1-CE2 3.51Å; I307-F398 HydrophobicContact CD1-CG 3.68Å; I307-F398 HydrophobicContact CD1-CZ 3.24Å; I307-F398 HydrophobicContact CG1-CZ 4.42Å
308A89.5Confident85.6Confident2 Ų242.2 Ų42.22%0.01720%0.204CC..Hα-helixtrans-62.4-37.5177.200000113.2C304 M305 K306 Y310 F312 Q314C304-A308 PolarHBondContact O-N 3.47Å; M305-A308 PolarHBondContact O-N 3.32Å; K306-A308 VanDerWaalsContact C-N 3.32Å; K306-A308 PolarHBondContact O-N 2.89Å; A308-Y310 VanDerWaalsContact C-N 3.29Å; A308-Y310 PolarHBondContact O-N 3.47Å; A308-F312 HydrophobicContact CB-CD2 3.76Å; A308-F312 HydrophobicContact CB-CE2 4.3Å; A308-F312 CarbonylContact O-C 3.58Å; A308-F312 WeakPolarHBondContact O-CB 3.33Å; A308-F312 PolarHBondContact O-N 2.85Å; A308-Q314 WeakPolarHBondContact O-CG 3.24Å
309D89.5Confident86.7Confident37 Ų3738.2 Ų38.220%0.19818%0.18CC..Hα-helixtrans-58.5-39.3178.3-86.6-26.3000112.6M305 K306 I307 Q314 K315M305-D309 VanDerWaalsContact O-CB 3.23Å; M305-D309 WeakPolarHBondContact O-CB 3.25Å; M305-D309 PolarHBondContact O-N 2.71Å; K306-D309 WeakPolarHBondContact O-CB 3.18Å; K306-D309 PolarHBondContact O-N 3.33Å; I307-D309 VanDerWaalsContact C-N 3.32Å; I307-D309 PolarHBondContact O-N 2.89Å; D309-Q314 PolarHBondContact O-N 3.19Å; D309-K315 HydrophobicContact CB-CG 4Å; D309-K315 VanDerWaalsContact CG-CE 3.4Å; D309-K315 PolarHBondContact O-N 3.38Å; D309-K315 WeakPolarHBondContact OD1-CE 3.37Å; D309-K315 IonicContact OD1-NZ 2.77Å; D309-K315 PolarHBondContact OD1-NZ 3Å; D309-K315 WeakPolarHBondContact OD2-CE 3.25Å; D309-K315 IonicContact OD2-NZ 3.39Å; D309-K315 PolarHBondContact OD2-NZ 2.96Å
310Y91.5Very high87.6Confident4 Ų436 Ų362%0.01617%0.172CC..Hα-helixtrans-100.7-57.6-175.4-61.6-70.9000113.2K306 I307 A308 F312 Q313 L318 F319 F348 H357 H360 I363 V364K306-Y310 WeakPolarHBondContact O-CD2 3.37Å; K306-Y310 PolarHBondContact O-N 3.28Å; I307-Y310 PolarHBondContact O-N 3.42Å; A308-Y310 VanDerWaalsContact C-N 3.29Å; A308-Y310 PolarHBondContact O-N 3.47Å; Y310-F312 PolarHBondContact O-N 3.07Å; Y310-Q313 PolarHBondContact O-N 3.13Å; Y310-L318 HydrophobicContact CD1-CD2 4.3Å; Y310-L318 HydrophobicContact CE1-CD2 4.08Å; Y310-F319 WeakPolarHBondContact O-CZ 3.3Å; Y310-F348 HydrophobicContact CD1-CZ 4.43Å; Y310-H357 AromaticContact CE1-NE2 3.86Å; Y310-H357 AromaticContact CZ-NE2 3.73Å; Y310-H357 PolarHBondContact OH-NE2 3.02Å; Y310-H360 HydrophobicContact CE1-CB 3.52Å; Y310-H360 WeakPolarHBondContact OH-CA 3.45Å; Y310-H360 PolarHBondContact OH-N 3Å; Y310-I363 HydrophobicContact CD2-CG2 3.87Å; Y310-I363 HydrophobicContact CE2-CB 3.99Å; Y310-I363 HydrophobicContact CE2-CD1 3.73Å; Y310-I363 HydrophobicContact CE2-CG1 4.46Å; Y310-I363 HydrophobicContact CE2-CG2 3.68Å; Y310-V364 HydrophobicContact CD1-CG2 3.47Å; Y310-V364 VanDerWaalsContact CD1-CG2 3.47Å; Y310-V364 HydrophobicContact CD2-CG1 4.37Å; Y310-V364 HydrophobicContact CD2-CG2 3.99Å; Y310-V364 HydrophobicContact CE1-CG2 3.85Å; Y310-V364 HydrophobicContact CE2-CG2 4.39Å; Y310-V364 HydrophobicContact CG-CG1 4.25Å; Y310-V364 HydrophobicContact CG-CG2 3.55Å
311F91.8Very high88.4Confident0 Ų039.1 Ų39.10%019%0.186CC..Hα-helixtrans-68.7-37.5-175.9-73.2-94000112.5I307 Q313 V364 L384 L386 I403 C406 N407 F410I307-F311 HydrophobicContact CB-CD2 4.48Å; I307-F311 HydrophobicContact CG2-CB 4.37Å; I307-F311 HydrophobicContact CG2-CD2 3.85Å; I307-F311 HydrophobicContact CG2-CG 4.35Å; I307-F311 WeakPolarHBondContact O-CB 3.49Å; I307-F311 PolarHBondContact O-N 2.7Å; F311-Q313 VanDerWaalsContact C-N 3.32Å; F311-V364 HydrophobicContact CE2-CG1 4.29Å; F311-L384 HydrophobicContact CD1-CB 4.4Å; F311-L384 HydrophobicContact CD1-CD1 4.39Å; F311-L384 HydrophobicContact CE1-CB 3.87Å; F311-L384 HydrophobicContact CE2-CB 4.44Å; F311-L384 HydrophobicContact CG-CD1 4.38Å; F311-L384 HydrophobicContact CZ-CB 3.88Å; F311-L386 HydrophobicContact CE2-CD2 3.99Å; F311-L386 HydrophobicContact CE2-CG 4.18Å; F311-L386 HydrophobicContact CZ-CG 4.33Å; F311-I403 HydrophobicContact CE1-CG2 4.29Å; F311-I403 HydrophobicContact CZ-CG2 4.07Å; F311-C406 HydrophobicContact CB-CB 4.11Å; F311-C406 HydrophobicContact CD1-CB 3.48Å; F311-C406 VanDerWaalsContact CD1-CB 3.48Å; F311-C406 HydrophobicContact CE1-CB 3.98Å; F311-C406 HydrophobicContact CG-CB 3.85Å; F311-N407 WeakPolarHBondContact CE1-OD1 3.48Å; F311-F410 HydrophobicContact CD1-CB 4.27Å; F311-F410 WeakPolarHBondContact O-CA 3.47Å
312F93.5Very high89Confident4 Ų436.4 Ų36.42%0.01817%0.173CC..THydrogen-bonded Turntrans-96.912.2176.7-45-35.2000112.7A308 Y310 Q314 I409 I462 F489 L493A308-F312 HydrophobicContact CB-CD2 3.76Å; A308-F312 HydrophobicContact CB-CE2 4.3Å; A308-F312 CarbonylContact O-C 3.58Å; A308-F312 WeakPolarHBondContact O-CB 3.33Å; A308-F312 PolarHBondContact O-N 2.85Å; Y310-F312 PolarHBondContact O-N 3.07Å; F312-Q314 VanDerWaalsContact C-N 3.27Å; F312-Q314 PolarHBondContact O-N 3.1Å; F312-Q314 VanDerWaalsContact O-N 3.13Å; F312-I409 HydrophobicContact CD1-CB 4.42Å; F312-I409 HydrophobicContact CD1-CG2 3.71Å; F312-I409 HydrophobicContact CE1-CB 4.34Å; F312-I409 HydrophobicContact CE1-CD1 3.84Å; F312-I409 HydrophobicContact CE1-CG2 4.05Å; F312-I462 HydrophobicContact CB-CG2 3.76Å; F312-F489 HydrophobicContact CD2-CZ 4.37Å; F312-F489 AromaticContact CE2-CE1 3.56Å; F312-F489 HydrophobicContact CE2-CE1 3.56Å; F312-F489 AromaticContact CE2-CZ 3.59Å; F312-F489 HydrophobicContact CE2-CZ 3.59Å; F312-F489 AromaticContact CZ-CE1 3.78Å; F312-F489 HydrophobicContact CZ-CE1 3.78Å; F312-F489 HydrophobicContact CZ-CZ 4.15Å; F312-L493 HydrophobicContact CD1-CD2 3.9Å; F312-L493 HydrophobicContact CD2-CD2 4.2Å; F312-L493 HydrophobicContact CE1-CD2 3.62Å; F312-L493 HydrophobicContact CE2-CD2 3.96Å; F312-L493 HydrophobicContact CG-CD2 4.21Å; F312-L493 HydrophobicContact CZ-CD2 3.65Å
313Q92.3Very high89.6Confident8 Ų830.5 Ų30.54%0.03715%0.147CC..  trans53.433.6171.2-47.1-173.73.500116Y310 F311 K315 F319 F410 L413 R417Y310-Q313 PolarHBondContact O-N 3.13Å; F311-Q313 VanDerWaalsContact C-N 3.32Å; Q313-K315 PolarHBondContact O-N 2.79Å; Q313-F319 HydrophobicContact CB-CD1 4.43Å; Q313-F319 HydrophobicContact CB-CD2 3.58Å; Q313-F319 HydrophobicContact CB-CE2 3.83Å; Q313-F319 HydrophobicContact CB-CG 3.91Å; Q313-F319 HydrophobicContact CB-CZ 4.35Å; Q313-F319 HydrophobicContact CG-CD1 4.07Å; Q313-F319 HydrophobicContact CG-CD2 4.06Å; Q313-F319 HydrophobicContact CG-CE1 4.1Å; Q313-F319 HydrophobicContact CG-CE2 4.07Å; Q313-F319 HydrophobicContact CG-CG 4.06Å; Q313-F319 HydrophobicContact CG-CZ 4.09Å; Q313-F410 HydrophobicContact CG-CD2 4.33Å; Q313-F410 PolarHBondContact NE2-O 3.37Å; Q313-L413 HydrophobicContact CG-CB 4.21Å; Q313-L413 HydrophobicContact CG-CD1 4.44Å; Q313-R417 VanDerWaalsContact CB-NH1 3.28Å; Q313-R417 PolarHBondContact O-NH1 2.78Å
314Q89.3Confident90.1Very high83 Ų8331.3 Ų31.339%0.38815%0.153SC..  trans-65-22.8178.9-67.7-77.8-15.800112.8A308 D309 F312 G316 C466A308-Q314 WeakPolarHBondContact O-CG 3.24Å; D309-Q314 PolarHBondContact O-N 3.19Å; F312-Q314 VanDerWaalsContact C-N 3.27Å; F312-Q314 PolarHBondContact O-N 3.1Å; F312-Q314 VanDerWaalsContact O-N 3.13Å; Q314-G316 PolarHBondContact O-N 3.48Å; Q314-C466 PolarHBondContact NE2-SG 3.45Å
315K87.7Confident90.5Very high70 Ų7031.8 Ų31.830%0.30416%0.155SC..  trans-75.964.7167.7-61.8-57.4-172-127.50111.1D309 Q313 K317 L318 F319D309-K315 HydrophobicContact CB-CG 4Å; D309-K315 VanDerWaalsContact CG-CE 3.4Å; D309-K315 PolarHBondContact O-N 3.38Å; D309-K315 WeakPolarHBondContact OD1-CE 3.37Å; D309-K315 IonicContact OD1-NZ 2.77Å; D309-K315 PolarHBondContact OD1-NZ 3Å; D309-K315 WeakPolarHBondContact OD2-CE 3.25Å; D309-K315 IonicContact OD2-NZ 3.39Å; D309-K315 PolarHBondContact OD2-NZ 2.96Å; Q313-K315 PolarHBondContact O-N 2.79Å; K315-K317 VanDerWaalsContact C-N 3.32Å; K315-K317 PolarHBondContact O-N 3.19Å; K315-K317 VanDerWaalsContact O-N 3.15Å; K315-L318 HydrophobicContact CB-CB 4.04Å; K315-L318 HydrophobicContact CB-CD2 4.41Å; K315-L318 WeakPolarHBondContact O-CB 3.36Å; K315-L318 PolarHBondContact O-N 2.83Å; K315-F319 HydrophobicContact CB-CE2 4.48Å; K315-F319 WeakPolarHBondContact O-CD2 3.33Å; K315-F319 PolarHBondContact O-N 3.1Å
316G89Confident90.6Very high20 Ų2030.7 Ų30.721%0.20615%0.15CC..Hα-helixtrans-45.7-50.9-174.300000113.7Q314 L318 F319 D320Q314-G316 PolarHBondContact O-N 3.48Å; G316-L318 VanDerWaalsContact C-N 3.28Å; G316-L318 PolarHBondContact O-N 3.17Å; G316-F319 PolarHBondContact O-N 3.14Å; G316-F319 VanDerWaalsContact O-N 3.08Å; G316-D320 WeakPolarHBondContact O-CB 3.42Å; G316-D320 PolarHBondContact O-N 3.04Å
317K89.3Confident90.7Very high169 Ų16929.7 Ų29.774%0.73515%0.146SC*.Hα-helixtrans-54.8-38178.5-67.7-173.2179.1-177.20114.4K315 Q321K315-K317 VanDerWaalsContact C-N 3.32Å; K315-K317 PolarHBondContact O-N 3.19Å; K315-K317 VanDerWaalsContact O-N 3.15Å; K317-Q321 WeakPolarHBondContact O-CB 3.42Å; K317-Q321 WeakPolarHBondContact O-CG 3.46Å; K317-Q321 PolarHBondContact O-N 3.01Å; K317-Q321 VanDerWaalsContact O-N 3.13Å
318L92.9Very high90.6Very high3 Ų334.6 Ų34.62%0.01617%0.173CC..Hα-helixtrans-65.6-47.6178.7169.665.4000110.4Y310 K315 G316 Q321 L322 F348 A351 A352 A355Y310-L318 HydrophobicContact CD1-CD2 4.3Å; Y310-L318 HydrophobicContact CE1-CD2 4.08Å; K315-L318 HydrophobicContact CB-CB 4.04Å; K315-L318 HydrophobicContact CB-CD2 4.41Å; K315-L318 WeakPolarHBondContact O-CB 3.36Å; K315-L318 PolarHBondContact O-N 2.83Å; G316-L318 VanDerWaalsContact C-N 3.28Å; G316-L318 PolarHBondContact O-N 3.17Å; L318-Q321 PolarHBondContact O-N 2.93Å; L318-L322 WeakPolarHBondContact O-CB 3.12Å; L318-L322 PolarHBondContact O-N 2.77Å; L318-F348 HydrophobicContact CD1-CE2 4.33Å; L318-F348 HydrophobicContact CD2-CE2 4Å; L318-F348 HydrophobicContact CD2-CZ 3.86Å; L318-F348 HydrophobicContact CG-CE2 4.17Å; L318-A351 HydrophobicContact CD1-CB 4.49Å; L318-A352 VanDerWaalsContact CD1-CA 3.43Å; L318-A352 HydrophobicContact CD1-CB 3.61Å; L318-A355 HydrophobicContact CB-CB 4.41Å; L318-A355 HydrophobicContact CD1-CB 4.41Å
319F93.2Very high90.1Very high0 Ų037.4 Ų37.40%019%0.188CC..Hα-helixtrans-76-29.7-177.5-71.8-74.7000112.8Y310 Q313 K315 G316 L322 V323 F348 F410Y310-F319 WeakPolarHBondContact O-CZ 3.3Å; Q313-F319 HydrophobicContact CB-CD1 4.43Å; Q313-F319 HydrophobicContact CB-CD2 3.58Å; Q313-F319 HydrophobicContact CB-CE2 3.83Å; Q313-F319 HydrophobicContact CB-CG 3.91Å; Q313-F319 HydrophobicContact CB-CZ 4.35Å; Q313-F319 HydrophobicContact CG-CD1 4.07Å; Q313-F319 HydrophobicContact CG-CD2 4.06Å; Q313-F319 HydrophobicContact CG-CE1 4.1Å; Q313-F319 HydrophobicContact CG-CE2 4.07Å; Q313-F319 HydrophobicContact CG-CG 4.06Å; Q313-F319 HydrophobicContact CG-CZ 4.09Å; K315-F319 HydrophobicContact CB-CE2 4.48Å; K315-F319 WeakPolarHBondContact O-CD2 3.33Å; K315-F319 PolarHBondContact O-N 3.1Å; G316-F319 PolarHBondContact O-N 3.14Å; G316-F319 VanDerWaalsContact O-N 3.08Å; F319-L322 HydrophobicContact CD1-CD2 4.04Å; F319-L322 HydrophobicContact CE1-CD2 4.39Å; F319-L322 PolarHBondContact O-N 2.91Å; F319-V323 WeakPolarHBondContact O-CB 3.34Å; F319-V323 WeakPolarHBondContact O-CG2 3.12Å; F319-V323 PolarHBondContact O-N 3.31Å; F319-F348 HydrophobicContact CE1-CE2 4.11Å; F319-F348 HydrophobicContact CZ-CE2 4.45Å; F319-F410 AromaticContact CE1-CE2 3.76Å; F319-F410 HydrophobicContact CE1-CE2 3.76Å; F319-F410 HydrophobicContact CZ-CE2 4.44Å
320D91.9Very high89.1Confident55 Ų5538.6 Ų38.629%0.29420%0.199SC..Hα-helixtrans-61.8-47.9169.8-64.7-26000109.8G316 L322 V323 D324 R417G316-D320 WeakPolarHBondContact O-CB 3.42Å; G316-D320 PolarHBondContact O-N 3.04Å; D320-L322 PolarHBondContact O-N 3.18Å; D320-V323 PolarHBondContact O-N 3.34Å; D320-D324 WeakPolarHBondContact O-CB 3.49Å; D320-D324 PolarHBondContact O-N 3.48Å; D320-R417 IonicContact OD1-CZ 2.62Å; D320-R417 IonicContact OD1-NE 3.1Å; D320-R417 PolarHBondContact OD1-NE 3.26Å
321Q92.2Very high87.8Confident69 Ų6943.3 Ų43.332%0.32222%0.224SC..Hα-helixtrans-63-40.1174.9-70.3-63.5-25.900112.4K317 L318 D324 I325 A351 A355K317-Q321 WeakPolarHBondContact O-CB 3.42Å; K317-Q321 WeakPolarHBondContact O-CG 3.46Å; K317-Q321 PolarHBondContact O-N 3.01Å; K317-Q321 VanDerWaalsContact O-N 3.13Å; L318-Q321 PolarHBondContact O-N 2.93Å; Q321-D324 PolarHBondContact O-N 2.99Å; Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.25Å; Q321-I325 PolarHBondContact O-N 3.31Å; Q321-A351 HydrophobicContact CB-CB 4.38Å; Q321-A355 HydrophobicContact CG-CB 4.28Å
322L92.6Very high86.8Confident0 Ų043.5 Ų43.50%023%0.225CC..Hα-helixtrans-59-51.9175.3177.863.6000110.6L318 F319 D320 D324 I325 L326 I347 F348 A351 L366 L414L318-L322 WeakPolarHBondContact O-CB 3.12Å; L318-L322 PolarHBondContact O-N 2.77Å; F319-L322 HydrophobicContact CD1-CD2 4.04Å; F319-L322 HydrophobicContact CE1-CD2 4.39Å; F319-L322 PolarHBondContact O-N 2.91Å; D320-L322 PolarHBondContact O-N 3.18Å; L322-D324 VanDerWaalsContact C-N 3.31Å; L322-D324 PolarHBondContact O-N 3.17Å; L322-I325 PolarHBondContact O-N 3.37Å; L322-L326 HydrophobicContact CD1-CD1 4.37Å; L322-L326 HydrophobicContact CD1-CG 4.33Å; L322-L326 HydrophobicContact CG-CD1 4.09Å; L322-L326 HydrophobicContact CG-CG 4.43Å; L322-L326 VanDerWaalsContact O-CG 3.27Å; L322-L326 WeakPolarHBondContact O-CG 3.26Å; L322-L326 PolarHBondContact O-N 3.45Å; L322-I347 HydrophobicContact CD1-CG2 3.85Å; L322-F348 HydrophobicContact CD1-CD2 4.15Å; L322-F348 HydrophobicContact CD2-CD2 3.9Å; L322-F348 HydrophobicContact CD2-CE2 4.19Å; L322-A351 HydrophobicContact CB-CB 3.9Å; L322-A351 HydrophobicContact CD1-CB 4.14Å; L322-L366 HydrophobicContact CD1-CD2 4.48Å; L322-L414 HydrophobicContact CD2-CD1 4.18Å
323V92.7Very high85.7Confident0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-62.8-39.7179.7166.30000111.2F319 D320 I325 L326 L327 L414 R417 Y418 C421F319-V323 WeakPolarHBondContact O-CB 3.34Å; F319-V323 WeakPolarHBondContact O-CG2 3.12Å; F319-V323 PolarHBondContact O-N 3.31Å; D320-V323 PolarHBondContact O-N 3.34Å; V323-I325 VanDerWaalsContact C-N 3.33Å; V323-I325 PolarHBondContact O-N 3.38Å; V323-L326 PolarHBondContact O-N 3.25Å; V323-L327 HydrophobicContact CG1-CD1 3.75Å; V323-L327 HydrophobicContact CG1-CG 4.29Å; V323-L327 WeakPolarHBondContact O-CB 3.34Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.48Å; V323-L327 PolarHBondContact O-N 2.94Å; V323-L414 HydrophobicContact CG2-CD1 4.02Å; V323-R417 HydrophobicContact CG2-CG 4.07Å; V323-Y418 HydrophobicContact CG1-CD2 4.18Å; V323-C421 HydrophobicContact CG1-CB 3.6Å
324D91.3Very high84.5Confident51 Ų5153 Ų5327%0.27327%0.268SS..Hα-helixtrans-58.7-45.1175.5-82-32.6000111.8D320 Q321 L322 L327 D328 R425D320-D324 WeakPolarHBondContact O-CB 3.49Å; D320-D324 PolarHBondContact O-N 3.48Å; Q321-D324 PolarHBondContact O-N 2.99Å; L322-D324 VanDerWaalsContact C-N 3.31Å; L322-D324 PolarHBondContact O-N 3.17Å; D324-L327 PolarHBondContact O-N 3.29Å; D324-D328 VanDerWaalsContact O-CG 3.31Å; D324-D328 PolarHBondContact O-N 3.05Å; D324-D328 VanDerWaalsContact O-N 3.13Å; D324-R425 VanDerWaalsContact CA-NH2 3.26Å; D324-R425 PolarHBondContact O-NH2 3.12Å; D324-R425 IonicContact OD1-CZ 3.91Å; D324-R425 IonicContact OD1-NE 2.67Å; D324-R425 IonicContact OD1-NH2 3.61Å; D324-R425 PolarHBondContact OD1-NH2 3.26Å
325I91Very high83.4Confident13 Ų1350.9 Ų50.97%0.06726%0.262CS..Hα-helixtrans-65.8-40.3176.2-66.4166.7000111.1Q321 L322 V323 L327 D328 N329 I347 L350 A351 Y354Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.25Å; Q321-I325 PolarHBondContact O-N 3.31Å; L322-I325 PolarHBondContact O-N 3.37Å; V323-I325 VanDerWaalsContact C-N 3.33Å; V323-I325 PolarHBondContact O-N 3.38Å; I325-L327 VanDerWaalsContact C-N 3.33Å; I325-L327 PolarHBondContact O-N 2.88Å; I325-D328 PolarHBondContact O-N 2.63Å; I325-N329 VanDerWaalsContact CG2-ND2 3.3Å; I325-N329 WeakPolarHBondContact CG2-ND2 3.29Å; I325-N329 VanDerWaalsContact O-CB 3.31Å; I325-N329 WeakPolarHBondContact O-CB 3.44Å; I325-N329 PolarHBondContact O-N 3Å; I325-N329 PolarHBondContact O-ND2 3.33Å; I325-I347 HydrophobicContact CG2-CG2 3.84Å; I325-L350 HydrophobicContact CD1-CD2 4.26Å; I325-L350 HydrophobicContact CD1-CG 4.13Å; I325-L350 HydrophobicContact CG2-CD2 4.48Å; I325-A351 HydrophobicContact CD1-CB 3.81Å; I325-Y354 HydrophobicContact CD1-CD2 3.92Å; I325-Y354 HydrophobicContact CD1-CE2 4.32Å
326L89.6Confident82.2Confident3 Ų352 Ų522%0.01628%0.277CS..Hα-helixtrans-66-35.3178.2-68.6177.5000112.5L322 V323 V332 I347 W378 L379 Y418L322-L326 HydrophobicContact CD1-CD1 4.37Å; L322-L326 HydrophobicContact CD1-CG 4.33Å; L322-L326 HydrophobicContact CG-CD1 4.09Å; L322-L326 HydrophobicContact CG-CG 4.43Å; L322-L326 VanDerWaalsContact O-CG 3.27Å; L322-L326 WeakPolarHBondContact O-CG 3.26Å; L322-L326 PolarHBondContact O-N 3.45Å; V323-L326 PolarHBondContact O-N 3.25Å; L326-V332 HydrophobicContact CD2-CB 4.39Å; L326-V332 HydrophobicContact CD2-CG1 4.31Å; L326-V332 HydrophobicContact CD2-CG2 4.02Å; L326-I347 HydrophobicContact CD2-CG2 4.06Å; L326-W378 HydrophobicContact CB-CH2 4.28Å; L326-W378 HydrophobicContact CD1-CH2 4.21Å; L326-W378 HydrophobicContact CD2-CH2 3.98Å; L326-W378 HydrophobicContact CD2-CZ3 4.39Å; L326-W378 HydrophobicContact CG-CH2 4.36Å; L326-L379 HydrophobicContact CD1-CD2 4.09Å; L326-Y418 HydrophobicContact CB-CE2 4.19Å
327L87.4Confident81.2Confident23 Ų2352.4 Ų52.412%0.1228%0.275CS..Hα-helixtrans-69.5-35175.1-72.5165.4000111.7V323 D324 I325 Y418 C421 L422 E519V323-L327 HydrophobicContact CG1-CD1 3.75Å; V323-L327 HydrophobicContact CG1-CG 4.29Å; V323-L327 WeakPolarHBondContact O-CB 3.34Å; V323-L327 VanDerWaalsContact O-CG 3.3Å; V323-L327 WeakPolarHBondContact O-CG 3.48Å; V323-L327 PolarHBondContact O-N 2.94Å; D324-L327 PolarHBondContact O-N 3.29Å; I325-L327 VanDerWaalsContact C-N 3.33Å; I325-L327 PolarHBondContact O-N 2.88Å; L327-Y418 HydrophobicContact CD2-CD2 4.2Å; L327-Y418 HydrophobicContact CD2-CE1 3.94Å; L327-Y418 HydrophobicContact CD2-CE2 3.6Å; L327-Y418 VanDerWaalsContact CD2-CZ 3.46Å; L327-Y418 HydrophobicContact CG-CD2 4.28Å; L327-Y418 HydrophobicContact CG-CE2 3.85Å; L327-C421 HydrophobicContact CD1-CB 3.79Å; L327-L422 HydrophobicContact CD2-CB 3.96Å; L327-L422 HydrophobicContact CD2-CD1 4.01Å; L327-L422 HydrophobicContact CD2-CG 4.49Å; L327-E519 WeakPolarHBondContact CD2-OE1 3.35Å
328D85.1Confident80.2Confident112 Ų11246.7 Ų46.760%0.59926%0.257SS*.Hα-helixtrans-82.3-25.4-179.7-67.9-25.1000113.6D324 I325 R425D324-D328 VanDerWaalsContact O-CG 3.31Å; D324-D328 PolarHBondContact O-N 3.05Å; D324-D328 VanDerWaalsContact O-N 3.13Å; I325-D328 PolarHBondContact O-N 2.63Å; D328-R425 IonicContact OD1-CZ 3.63Å; D328-R425 IonicContact OD1-NH1 3.36Å; D328-R425 PolarHBondContact OD1-NH1 3.06Å; D328-R425 IonicContact OD1-NH2 3.84Å; D328-R425 IonicContact OD2-NH1 2.59Å; D328-R425 IonicContact OD2-NH2 3.71Å
329N77.5Confident78.9Confident62 Ų6250.6 Ų50.633%0.33229%0.289SS..  trans-107.4101-173.9-70.4-82.7000112.5I325 L331I325-N329 VanDerWaalsContact CG2-ND2 3.3Å; I325-N329 WeakPolarHBondContact CG2-ND2 3.29Å; I325-N329 VanDerWaalsContact O-CB 3.31Å; I325-N329 WeakPolarHBondContact O-CB 3.44Å; I325-N329 PolarHBondContact O-N 3Å; I325-N329 PolarHBondContact O-ND2 3.33Å; N329-L331 PolarHBondContact O-N 2.98Å
330S69.3Low77.9Confident62 Ų6255.3 Ų55.343%0.43432%0.323SS..THydrogen-bonded Turntrans-62-22.4172.261.30000113.6V332 K333 E334S330-V332 PolarHBondContact O-N 3.1Å; S330-V332 VanDerWaalsContact O-N 3.11Å; S330-K333 WeakPolarHBondContact O-CB 3.45Å; S330-K333 PolarHBondContact O-N 3.47Å; S330-E334 PolarHBondContact O-N 3.47Å
331L65.3Low77.2Confident103 Ų10354.1 Ų54.154%0.53932%0.318SS..Hα-helixtrans-58-28.2-175.4-66.4175.7000114.5N329 C335N329-L331 PolarHBondContact O-N 2.98Å; L331-C335 WeakPolarHBondContact O-CB 3.23Å; L331-C335 PolarHBondContact O-N 3.49Å; L331-C335 PolarHBondContact O-SG 2.85Å
332V69.5Low76.7Confident4 Ų454.5 Ų54.52%0.02433%0.326CS..Hα-helixtrans-75.8-35.5177.2-168.60000111.3L326 S330 E334 C335 L343 I347 F368 W378L326-V332 HydrophobicContact CD2-CB 4.39Å; L326-V332 HydrophobicContact CD2-CG1 4.31Å; L326-V332 HydrophobicContact CD2-CG2 4.02Å; S330-V332 PolarHBondContact O-N 3.1Å; S330-V332 VanDerWaalsContact O-N 3.11Å; V332-E334 VanDerWaalsContact C-N 3.32Å; V332-C335 PolarHBondContact O-N 2.92Å; V332-L343 HydrophobicContact CG2-CD2 4.34Å; V332-I347 HydrophobicContact CB-CD1 4.45Å; V332-I347 HydrophobicContact CG2-CD1 3.01Å; V332-F368 HydrophobicContact CG1-CZ 4.17Å; V332-W378 HydrophobicContact CB-CH2 4.43Å; V332-W378 HydrophobicContact CB-CZ3 4.19Å; V332-W378 HydrophobicContact CG1-CE3 4.13Å; V332-W378 HydrophobicContact CG1-CH2 4.17Å; V332-W378 HydrophobicContact CG1-CZ3 3.5Å; V332-W378 VanDerWaalsContact CG1-CZ3 3.5Å
333K69.8Low76.4Confident69 Ų6956.6 Ų56.630%0.334%0.337SS..Hα-helixtrans-68.3-36.4179.6-55.2179.8-178173.60111S330 W378 Y418 E519S330-K333 WeakPolarHBondContact O-CB 3.45Å; S330-K333 PolarHBondContact O-N 3.47Å; K333-W378 HydrophobicContact CD-CZ2 4.49Å; K333-W378 HydrophobicContact CG-CD2 4.42Å; K333-W378 HydrophobicContact CG-CZ2 3.87Å; K333-Y418 VanDerWaalsContact CE-OH 3.27Å; K333-Y418 WeakPolarHBondContact CE-OH 3.24Å; K333-Y418 PolarHBondContact NZ-OH 3.26Å; K333-E519 VanDerWaalsContact NZ-CD 3.3Å; K333-E519 IonicContact NZ-OE1 3.75Å; K333-E519 PolarHBondContact NZ-OE1 2.97Å; K333-E519 IonicContact NZ-OE2 3.81Å; K333-E519 PolarHBondContact NZ-OE2 3.1Å
334E67.5Low76Confident141 Ų14156.7 Ų56.766%0.65934%0.337SS*.Hα-helixtrans-83.7-17.5180-66.6174.5-163.800113.5S330 V332 P336S330-E334 PolarHBondContact O-N 3.47Å; V332-E334 VanDerWaalsContact C-N 3.32Å; E334-P336 WeakPolarHBondContact O-CD 3.46Å
335C65.9Low75.8Confident39 Ų3954.5 Ų54.526%0.26433%0.327SS..SBendtrans-72.6123.1180-90.80000111.1L331 V332 P337 L343L331-C335 WeakPolarHBondContact O-CB 3.23Å; L331-C335 PolarHBondContact O-N 3.49Å; L331-C335 PolarHBondContact O-SG 2.85Å; V332-C335 PolarHBondContact O-N 2.92Å; C335-P337 VanDerWaalsContact O-CD 3.26Å; C335-P337 WeakPolarHBondContact O-CD 3.49Å; C335-L343 HydrophobicContact CB-CD2 4.28Å; C335-L343 WeakPolarHBondContact SG-CD2 3.4Å
336P64.3Low75.6Confident94 Ų9460.1 Ų60.161%0.6135%0.351SS*.PPolyproline II helixtrans-64123.217524.2-31.3000109.6E334 S338E334-P336 WeakPolarHBondContact O-CD 3.46Å; P336-S338 PolarHBondContact O-N 2.96Å; P336-S338 VanDerWaalsContact O-N 3.1Å
337P66.4Low75.5Confident28 Ų2860.6 Ų60.618%0.18235%0.353CS..PPolyproline II helixtrans-56.4119.4178.111.2-23.6000111C335 F368 W370 R371C335-P337 VanDerWaalsContact O-CD 3.26Å; C335-P337 WeakPolarHBondContact O-CD 3.49Å; P337-F368 HydrophobicContact CB-CB 4.17Å; P337-F368 HydrophobicContact CB-CD1 3.99Å; P337-F368 HydrophobicContact CB-CD2 4.4Å; P337-F368 HydrophobicContact CB-CE1 4.45Å; P337-F368 HydrophobicContact CB-CG 3.96Å; P337-W370 VanDerWaalsContact CB-O 3.27Å; P337-W370 WeakPolarHBondContact CB-O 3.39Å; P337-R371 HydrophobicContact CB-CG 4.33Å; P337-R371 HydrophobicContact CG-CB 4Å; P337-R371 HydrophobicContact CG-CG 3.97Å; P337-R371 WeakPolarHBondContact O-CG 3.49Å; P337-R371 PolarHBondContact O-NE 3.26Å
338S68Low75.6Confident49 Ų4959.7 Ų59.734%0.34335%0.348SS..  trans-142136.7175.4178.90000108.2P336 S340 C341P336-S338 PolarHBondContact O-N 2.96Å; P336-S338 VanDerWaalsContact O-N 3.1Å; S338-S340 PolarHBondContact O-N 3.25Å; S338-S340 VanDerWaalsContact O-N 3.13Å; S338-S340 PolarHBondContact OG-N 3.44Å; S338-S340 PolarHBondContact OG-OG 3.37Å; S338-C341 WeakPolarHBondContact O-CB 3.43Å; S338-C341 PolarHBondContact O-N 3.28Å
339A66.5Low75.8Confident85 Ų8556.9 Ų56.970%0.70233%0.333SS*.THydrogen-bonded Turntrans-58.9-24.3176.300000112.7C341A339-C341 VanDerWaalsContact C-N 3.28Å; A339-C341 PolarHBondContact O-N 2.76Å
340S71.3Confident76.4Confident100 Ų10057.4 Ų57.470%0.69934%0.336SS*.THydrogen-bonded Turntrans-79-7.517566.70000114.1S338 T342S338-S340 PolarHBondContact O-N 3.25Å; S338-S340 VanDerWaalsContact O-N 3.13Å; S338-S340 PolarHBondContact OG-N 3.44Å; S338-S340 PolarHBondContact OG-OG 3.37Å; S340-T342 PolarHBondContact O-N 2.93Å
341C77.3Confident77.4Confident29 Ų2954.5 Ų54.520%0.19632%0.315CS..  trans-75.7116-176.6-1710000110.3S338 A339 L343 F368S338-C341 WeakPolarHBondContact O-CB 3.43Å; S338-C341 PolarHBondContact O-N 3.28Å; A339-C341 VanDerWaalsContact C-N 3.28Å; A339-C341 PolarHBondContact O-N 2.76Å; C341-L343 VanDerWaalsContact C-N 3.31Å; C341-F368 HydrophobicContact CB-CD2 4.1Å; C341-F368 HydrophobicContact CB-CE2 4.44Å
342T83.1Confident78.6Confident78 Ų7849.6 Ų49.648%0.47929%0.289SS..  trans-85-5.617857.80000113.2S340 G345 K346S340-T342 PolarHBondContact O-N 2.93Å; T342-G345 PolarHBondContact O-N 3.22Å; T342-K346 WeakPolarHBondContact O-CG 3.26Å; T342-K346 PolarHBondContact O-N 2.84Å
343L84.8Confident79.6Confident44 Ų4453.1 Ų53.123%0.2331%0.308CS..Hα-helixtrans-61-46.7-174.2-175.567.3000113.3V332 C335 C341 G345 K346 I347V332-L343 HydrophobicContact CG2-CD2 4.34Å; C335-L343 HydrophobicContact CB-CD2 4.28Å; C335-L343 WeakPolarHBondContact SG-CD2 3.4Å; C341-L343 VanDerWaalsContact C-N 3.31Å; L343-G345 VanDerWaalsContact C-N 3.28Å; L343-G345 PolarHBondContact O-N 3.39Å; L343-K346 PolarHBondContact O-N 3.13Å; L343-I347 HydrophobicContact CD1-CD1 4.03Å; L343-I347 HydrophobicContact CD1-CG1 4.27Å; L343-I347 HydrophobicContact CD2-CD1 4.43Å; L343-I347 HydrophobicContact CG-CD1 3.86Å; L343-I347 HydrophobicContact CG-CG1 4.44Å; L343-I347 WeakPolarHBondContact O-CG1 3.19Å; L343-I347 PolarHBondContact O-N 2.87Å
344P85.8Confident80.5Confident1 Ų157 Ų571%0.00632%0.322CS..Hα-helixtrans-58-42.6177.7-24.334.7000112.2I347 F348 L366 F368 L382P344-I347 PolarHBondContact O-N 2.77Å; P344-F348 WeakPolarHBondContact O-CB 3.43Å; P344-F348 PolarHBondContact O-N 3.33Å; P344-L366 HydrophobicContact CB-CB 4.36Å; P344-L366 HydrophobicContact CB-CD2 4.03Å; P344-L366 HydrophobicContact CB-CG 3.94Å; P344-F368 HydrophobicContact CG-CD2 3.49Å; P344-F368 VanDerWaalsContact CG-CD2 3.49Å; P344-F368 HydrophobicContact CG-CE1 4.41Å; P344-F368 HydrophobicContact CG-CE2 3.27Å; P344-F368 HydrophobicContact CG-CG 4.17Å; P344-F368 HydrophobicContact CG-CZ 3.78Å; P344-L382 HydrophobicContact CB-CD2 3.98Å; P344-L382 HydrophobicContact CG-CD2 4.21Å
345G86.4Confident81.5Confident6 Ų651.6 Ų51.66%0.06230%0.301CS..Hα-helixtrans-59.6-47.6175.900000112.4T342 L343 I347 F348 D349 L366T342-G345 PolarHBondContact O-N 3.22Å; L343-G345 VanDerWaalsContact C-N 3.28Å; L343-G345 PolarHBondContact O-N 3.39Å; G345-I347 VanDerWaalsContact C-N 3.32Å; G345-I347 PolarHBondContact O-N 3.45Å; G345-F348 WeakPolarHBondContact O-CB 3.42Å; G345-F348 PolarHBondContact O-N 3.36Å; G345-D349 PolarHBondContact O-N 2.9Å; G345-L366 WeakPolarHBondContact CA-O 3.42Å; G345-L366 PolarHBondContact N-O 3.33Å; G345-L366 VanDerWaalsContact N-O 3.1Å
346K87Confident82.5Confident130 Ų13060.7 Ų60.757%0.56533%0.33SS*.Hα-helixtrans-63-36.5178.3-70.3176.9-178.2178.80113.3T342 L343 D349 L350T342-K346 WeakPolarHBondContact O-CG 3.26Å; T342-K346 PolarHBondContact O-N 2.84Å; L343-K346 PolarHBondContact O-N 3.13Å; K346-D349 WeakPolarHBondContact O-CB 2.97Å; K346-D349 PolarHBondContact O-N 3.16Å; K346-L350 WeakPolarHBondContact O-CB 3.44Å; K346-L350 PolarHBondContact O-N 3.37Å
347I88.1Confident83.4Confident14 Ų1458.1 Ų58.17%0.07231%0.31CS..Hα-helixtrans-70.1-38.2177.1-72.9175.3000110.7L322 I325 L326 V332 L343 P344 G345 L350 A351L322-I347 HydrophobicContact CD1-CG2 3.85Å; I325-I347 HydrophobicContact CG2-CG2 3.84Å; L326-I347 HydrophobicContact CD2-CG2 4.06Å; V332-I347 HydrophobicContact CB-CD1 4.45Å; V332-I347 HydrophobicContact CG2-CD1 3.01Å; L343-I347 HydrophobicContact CD1-CD1 4.03Å; L343-I347 HydrophobicContact CD1-CG1 4.27Å; L343-I347 HydrophobicContact CD2-CD1 4.43Å; L343-I347 HydrophobicContact CG-CD1 3.86Å; L343-I347 HydrophobicContact CG-CG1 4.44Å; L343-I347 WeakPolarHBondContact O-CG1 3.19Å; L343-I347 PolarHBondContact O-N 2.87Å; P344-I347 PolarHBondContact O-N 2.77Å; G345-I347 VanDerWaalsContact C-N 3.32Å; G345-I347 PolarHBondContact O-N 3.45Å; I347-L350 PolarHBondContact O-N 3.09Å; I347-A351 WeakPolarHBondContact O-CB 3.26Å; I347-A351 PolarHBondContact O-N 2.99Å
348F89.7Confident84.1Confident3 Ų361.1 Ų61.11%0.01333%0.328CS..Hα-helixtrans-65.1-41.6174-168.1-122.1000112.1Y310 L318 F319 L322 P344 G345 L350 A351 A352 H360 V364 L366 L384Y310-F348 HydrophobicContact CD1-CZ 4.43Å; L318-F348 HydrophobicContact CD1-CE2 4.33Å; L318-F348 HydrophobicContact CD2-CE2 4Å; L318-F348 HydrophobicContact CD2-CZ 3.86Å; L318-F348 HydrophobicContact CG-CE2 4.17Å; F319-F348 HydrophobicContact CE1-CE2 4.11Å; F319-F348 HydrophobicContact CZ-CE2 4.45Å; L322-F348 HydrophobicContact CD1-CD2 4.15Å; L322-F348 HydrophobicContact CD2-CD2 3.9Å; L322-F348 HydrophobicContact CD2-CE2 4.19Å; P344-F348 WeakPolarHBondContact O-CB 3.43Å; P344-F348 PolarHBondContact O-N 3.33Å; G345-F348 WeakPolarHBondContact O-CB 3.42Å; G345-F348 PolarHBondContact O-N 3.36Å; F348-L350 VanDerWaalsContact C-N 3.34Å; F348-L350 PolarHBondContact O-N 3.43Å; F348-A351 PolarHBondContact O-N 3.37Å; F348-A352 WeakPolarHBondContact O-CB 3.3Å; F348-A352 PolarHBondContact O-N 3.47Å; F348-H360 AromaticContact CD1-CD2 3.67Å; F348-H360 HydrophobicContact CE1-CB 4.17Å; F348-H360 AromaticContact CE1-CD2 3.6Å; F348-V364 HydrophobicContact CE1-CG2 3.91Å; F348-V364 HydrophobicContact CZ-CG2 4.34Å; F348-L366 HydrophobicContact CB-CB 3.83Å; F348-L366 HydrophobicContact CB-CD2 4.12Å; F348-L366 HydrophobicContact CD1-CB 4.31Å; F348-L366 HydrophobicContact CG-CB 4.05Å; F348-L384 HydrophobicContact CZ-CD2 4.47Å
349D89.1Confident84.5Confident54 Ų5461 Ų6129%0.28933%0.33SS..Hα-helixtrans-57.6-45.1171-84.3-54.7000112G345 K346 A352 D353 H360 R361G345-D349 PolarHBondContact O-N 2.9Å; K346-D349 WeakPolarHBondContact O-CB 2.97Å; K346-D349 PolarHBondContact O-N 3.16Å; D349-A352 WeakPolarHBondContact O-CB 3.23Å; D349-A352 PolarHBondContact O-N 3.13Å; D349-D353 PolarHBondContact O-N 2.99Å; D349-H360 IonicContact OD1-CE1 3.16Å; D349-H360 IonicContact OD1-NE2 3.59Å; D349-H360 PolarHBondContact OD1-NE2 3.41Å; D349-H360 VanDerWaalsContact OD1-NE2 3.11Å; D349-R361 WeakPolarHBondContact OD1-CG 3.31Å; D349-R361 IonicContact OD1-CZ 3.59Å; D349-R361 IonicContact OD1-NE 2.73Å; D349-R361 PolarHBondContact OD1-NE 3.35Å; D349-R361 IonicContact OD1-NH2 2.76Å
350L89.7Confident85Confident73 Ų7357.1 Ų57.138%0.38230%0.297SS..Hα-helixtrans-63.7-46.5178.5-177.666.1000111.7I325 K346 I347 F348 A352 D353 Y354I325-L350 HydrophobicContact CD1-CD2 4.26Å; I325-L350 HydrophobicContact CD1-CG 4.13Å; I325-L350 HydrophobicContact CG2-CD2 4.48Å; K346-L350 WeakPolarHBondContact O-CB 3.44Å; K346-L350 PolarHBondContact O-N 3.37Å; I347-L350 PolarHBondContact O-N 3.09Å; F348-L350 VanDerWaalsContact C-N 3.34Å; F348-L350 PolarHBondContact O-N 3.43Å; L350-A352 PolarHBondContact O-N 3.07Å; L350-D353 PolarHBondContact O-N 3.3Å; L350-Y354 HydrophobicContact CD1-CD2 4.14Å; L350-Y354 HydrophobicContact CD1-CE2 3.64Å; L350-Y354 HydrophobicContact CD2-CE2 4.23Å; L350-Y354 HydrophobicContact CG-CD2 3.99Å; L350-Y354 HydrophobicContact CG-CE2 3.7Å; L350-Y354 WeakPolarHBondContact O-CD2 3.45Å; L350-Y354 PolarHBondContact O-N 3.15Å
351A90.2Very high85.2Confident0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-57.2-41175.700000111.6L318 Q321 L322 I325 I347 F348 Y354 A355L318-A351 HydrophobicContact CD1-CB 4.49Å; Q321-A351 HydrophobicContact CB-CB 4.38Å; L322-A351 HydrophobicContact CB-CB 3.9Å; L322-A351 HydrophobicContact CD1-CB 4.14Å; I325-A351 HydrophobicContact CD1-CB 3.81Å; I347-A351 WeakPolarHBondContact O-CB 3.26Å; I347-A351 PolarHBondContact O-N 2.99Å; F348-A351 PolarHBondContact O-N 3.37Å; A351-Y354 PolarHBondContact O-N 3.44Å; A351-A355 WeakPolarHBondContact O-CB 3.39Å; A351-A355 PolarHBondContact O-N 3.08Å
352A90.1Very high84.9Confident0 Ų060.2 Ų60.20%030%0.296CS..Hα-helixtrans-69.4-36.9177.800000113.5L318 F348 D349 L350 A355 R356 H357 H360L318-A352 VanDerWaalsContact CD1-CA 3.43Å; L318-A352 HydrophobicContact CD1-CB 3.61Å; F348-A352 WeakPolarHBondContact O-CB 3.3Å; F348-A352 PolarHBondContact O-N 3.47Å; D349-A352 WeakPolarHBondContact O-CB 3.23Å; D349-A352 PolarHBondContact O-N 3.13Å; L350-A352 PolarHBondContact O-N 3.07Å; A352-A355 CarbonylContact O-C 3.52Å; A352-A355 PolarHBondContact O-N 3.5Å; A352-R356 PolarHBondContact O-N 2.9Å; A352-H357 WeakPolarHBondContact CB-O 3.47Å; A352-H357 PolarHBondContact O-N 3.31Å; A352-H360 WeakPolarHBondContact CB-CE1 3.45Å; A352-H360 WeakPolarHBondContact CB-ND1 3.22Å
353D89.9Confident84.7Confident78 Ų7857.4 Ų57.442%0.41728%0.277SS..Hα-helixtrans-63.1-43.2173.4-74.3-23.5000110.9D349 L350 A355 R356 R361D349-D353 PolarHBondContact O-N 2.99Å; L350-D353 PolarHBondContact O-N 3.3Å; D353-A355 VanDerWaalsContact C-N 3.35Å; D353-A355 PolarHBondContact O-N 3.39Å; D353-R356 PolarHBondContact O-N 3.06Å; D353-R356 VanDerWaalsContact O-N 3.12Å; D353-R361 IonicContact OD1-CZ 3.55Å; D353-R361 IonicContact OD1-NH1 3.97Å; D353-R361 IonicContact OD1-NH2 3.64Å; D353-R361 PolarHBondContact OD1-NH2 2.67Å; D353-R361 IonicContact OD2-NH2 3.07Å; D353-R361 PolarHBondContact OD2-NH2 3.19Å
354Y89.3Confident84.7Confident152 Ų15255.5 Ų55.560%0.59627%0.268SS*.Hα-helixtrans-62.6-39.6172.9-79.2-66.3000112.8I325 L350 A351 R356I325-Y354 HydrophobicContact CD1-CD2 3.92Å; I325-Y354 HydrophobicContact CD1-CE2 4.32Å; L350-Y354 HydrophobicContact CD1-CD2 4.14Å; L350-Y354 HydrophobicContact CD1-CE2 3.64Å; L350-Y354 HydrophobicContact CD2-CE2 4.23Å; L350-Y354 HydrophobicContact CG-CD2 3.99Å; L350-Y354 HydrophobicContact CG-CE2 3.7Å; L350-Y354 WeakPolarHBondContact O-CD2 3.45Å; L350-Y354 PolarHBondContact O-N 3.15Å; A351-Y354 PolarHBondContact O-N 3.44Å; Y354-R356 PolarHBondContact O-N 2.86Å
355A88.2Confident84.7Confident26 Ų2658.3 Ų58.322%0.21528%0.281CS..THydrogen-bonded Turntrans-76.1-4.6176.400000113.9L318 Q321 A351 A352 D353 H357L318-A355 HydrophobicContact CB-CB 4.41Å; L318-A355 HydrophobicContact CD1-CB 4.41Å; Q321-A355 HydrophobicContact CG-CB 4.28Å; A351-A355 WeakPolarHBondContact O-CB 3.39Å; A351-A355 PolarHBondContact O-N 3.08Å; A352-A355 CarbonylContact O-C 3.52Å; A352-A355 PolarHBondContact O-N 3.5Å; D353-A355 VanDerWaalsContact C-N 3.35Å; D353-A355 PolarHBondContact O-N 3.39Å; A355-H357 VanDerWaalsContact C-N 3.28Å; A355-H357 HydrophobicContact CB-CB 4.39Å; A355-H357 PolarHBondContact O-N 3.44Å
356R86.5Confident84.8Confident231 Ų23158.1 Ų58.187%0.87228%0.278SS*.THydrogen-bonded Turntrans55.439.5-172.3-56-179.2179.6177.9-0.9112.9A352 D353 Y354A352-R356 PolarHBondContact O-N 2.9Å; D353-R356 PolarHBondContact O-N 3.06Å; D353-R356 VanDerWaalsContact O-N 3.12Å; Y354-R356 PolarHBondContact O-N 2.86Å
357H85.1Confident84.8Confident39 Ų3955.5 Ų55.518%0.18127%0.265CS..  trans-119.281.1-175.3-17169.7000112.4Y310 A352 A355 A359 H360Y310-H357 AromaticContact CE1-NE2 3.86Å; Y310-H357 AromaticContact CZ-NE2 3.73Å; Y310-H357 PolarHBondContact OH-NE2 3.02Å; A352-H357 WeakPolarHBondContact CB-O 3.47Å; A352-H357 PolarHBondContact O-N 3.31Å; A355-H357 VanDerWaalsContact C-N 3.28Å; A355-H357 HydrophobicContact CB-CB 4.39Å; A355-H357 PolarHBondContact O-N 3.44Å; H357-A359 VanDerWaalsContact C-N 3.34Å; H357-A359 PolarHBondContact O-N 3.26Å; H357-H360 PolarHBondContact O-ND1 3.39Å
358T79.4Confident84.6Confident92 Ų9255.3 Ų55.356%0.56426%0.264SS*.G310 helixtrans-78.8-13.4-176.153.80000114.6H360 R361T358-H360 PolarHBondContact O-N 3.36Å; T358-H360 VanDerWaalsContact O-N 3.16Å; T358-R361 PolarHBondContact O-N 2.88Å
359A77.9Confident84.1Confident47 Ų4756.9 Ų56.939%0.38827%0.274SS..G310 helixtrans-63.7-23.4-174.300000114H357 R361 I363H357-A359 VanDerWaalsContact C-N 3.34Å; H357-A359 PolarHBondContact O-N 3.26Å; A359-R361 VanDerWaalsContact C-N 3.31Å; A359-R361 PolarHBondContact O-N 2.99Å; A359-I363 VanDerWaalsContact O-CD1 3.28Å; A359-I363 WeakPolarHBondContact O-CD1 3.37Å; A359-I363 WeakPolarHBondContact O-CG1 3.46Å
360H77Confident83.3Confident3 Ų359.9 Ų59.91%0.01428%0.282CS..G310 helixtrans-64.7-30.9-177.175.8-74.3000113.8Y310 F348 D349 A352 H357 T358 N362 I363 V364Y310-H360 HydrophobicContact CE1-CB 3.52Å; Y310-H360 WeakPolarHBondContact OH-CA 3.45Å; Y310-H360 PolarHBondContact OH-N 3Å; F348-H360 AromaticContact CD1-CD2 3.67Å; F348-H360 HydrophobicContact CE1-CB 4.17Å; F348-H360 AromaticContact CE1-CD2 3.6Å; D349-H360 IonicContact OD1-CE1 3.16Å; D349-H360 IonicContact OD1-NE2 3.59Å; D349-H360 PolarHBondContact OD1-NE2 3.41Å; D349-H360 VanDerWaalsContact OD1-NE2 3.11Å; A352-H360 WeakPolarHBondContact CB-CE1 3.45Å; A352-H360 WeakPolarHBondContact CB-ND1 3.22Å; H357-H360 PolarHBondContact O-ND1 3.39Å; T358-H360 PolarHBondContact O-N 3.36Å; T358-H360 VanDerWaalsContact O-N 3.16Å; H360-N362 PolarHBondContact O-N 2.75Å; H360-I363 PolarHBondContact O-N 3.32Å; H360-V364 HydrophobicContact CB-CG2 4.37Å; H360-V364 PolarHBondContact O-N 3.02Å
361R75.2Confident81.9Confident108 Ų10865.3 Ų65.341%0.40830%0.297SS..G310 helixtrans-57.6-27-173.9-66.7-170.4169.31488.6113.9D349 D353 T358 A359D349-R361 WeakPolarHBondContact OD1-CG 3.31Å; D349-R361 IonicContact OD1-CZ 3.59Å; D349-R361 IonicContact OD1-NE 2.73Å; D349-R361 PolarHBondContact OD1-NE 3.35Å; D349-R361 IonicContact OD1-NH2 2.76Å; D353-R361 IonicContact OD1-CZ 3.55Å; D353-R361 IonicContact OD1-NH1 3.97Å; D353-R361 IonicContact OD1-NH2 3.64Å; D353-R361 PolarHBondContact OD1-NH2 2.67Å; D353-R361 IonicContact OD2-NH2 3.07Å; D353-R361 PolarHBondContact OD2-NH2 3.19Å; T358-R361 PolarHBondContact O-N 2.88Å; A359-R361 VanDerWaalsContact C-N 3.31Å; A359-R361 PolarHBondContact O-N 2.99Å
362N70.7Confident80.5Confident86 Ų8667 Ų6746%0.4631%0.311SS..G310 helixtrans-102.74.2-178.8-59.1-20.7000112.9H360 Q390H360-N362 PolarHBondContact O-N 2.75Å; N362-Q390 HydrophobicContact CB-CG 4.33Å
363I78.1Confident79.3Confident18 Ų1870.1 Ų70.19%0.09233%0.333CS..THydrogen-bonded Turntrans-123.1-51.9-171.4-55.4172000110.8K306 Y310 A359 H360 L386 V387K306-I363 HydrophobicContact CB-CG2 4.31Å; K306-I363 HydrophobicContact CD-CD1 3.92Å; K306-I363 HydrophobicContact CD-CG1 4.41Å; K306-I363 HydrophobicContact CD-CG2 4.39Å; K306-I363 HydrophobicContact CG-CD1 4.16Å; Y310-I363 HydrophobicContact CD2-CG2 3.87Å; Y310-I363 HydrophobicContact CE2-CB 3.99Å; Y310-I363 HydrophobicContact CE2-CD1 3.73Å; Y310-I363 HydrophobicContact CE2-CG1 4.46Å; Y310-I363 HydrophobicContact CE2-CG2 3.68Å; A359-I363 VanDerWaalsContact O-CD1 3.28Å; A359-I363 WeakPolarHBondContact O-CD1 3.37Å; A359-I363 WeakPolarHBondContact O-CG1 3.46Å; H360-I363 PolarHBondContact O-N 3.32Å; I363-L386 WeakPolarHBondContact O-CA 3.46Å; I363-V387 PolarHBondContact O-N 3.28Å
364V84.7Confident78Confident4 Ų475.4 Ų75.42%0.02436%0.355CS..EExtended strand (participates in β ladder)trans-138.8148.1-174.9-770000112.6Y310 F311 F348 H360 L384 E385 L386Y310-V364 HydrophobicContact CD1-CG2 3.47Å; Y310-V364 VanDerWaalsContact CD1-CG2 3.47Å; Y310-V364 HydrophobicContact CD2-CG1 4.37Å; Y310-V364 HydrophobicContact CD2-CG2 3.99Å; Y310-V364 HydrophobicContact CE1-CG2 3.85Å; Y310-V364 HydrophobicContact CE2-CG2 4.39Å; Y310-V364 HydrophobicContact CG-CG1 4.25Å; Y310-V364 HydrophobicContact CG-CG2 3.55Å; F311-V364 HydrophobicContact CE2-CG1 4.29Å; F348-V364 HydrophobicContact CE1-CG2 3.91Å; F348-V364 HydrophobicContact CZ-CG2 4.34Å; H360-V364 HydrophobicContact CB-CG2 4.37Å; H360-V364 PolarHBondContact O-N 3.02Å; V364-L384 HydrophobicContact CB-CD2 4.31Å; V364-L384 HydrophobicContact CG1-CB 4.41Å; V364-E385 CarbonylContact C-O 3.52Å; V364-E385 VanDerWaalsContact CA-O 3.24Å; V364-E385 WeakPolarHBondContact CA-O 3.43Å; V364-L386 HydrophobicContact CG1-CD2 3.86Å
365Q86.4Confident76.9Confident60 Ų6074.7 Ų74.728%0.2836%0.362SS..EExtended strand (participates in β ladder)trans-125.8135.2170.1-171.4178.8-8.900110.4R367 E385 V387Q365-R367 VanDerWaalsContact CD-NE 3.33Å; Q365-R367 HydrophobicContact CG-CG 4.23Å; Q365-E385 PolarHBondContact N-O 3.34Å; Q365-E385 PolarHBondContact O-N 2.89Å; Q365-V387 HydrophobicContact CB-CG2 4.3Å
366L88.8Confident76.2Confident2 Ų278.2 Ų78.21%0.0137%0.374CS..EExtended strand (participates in β ladder)trans-82.5128.9174-16969.4000110.3L322 P344 G345 F348 L382 E383 L384 F410L322-L366 HydrophobicContact CD1-CD2 4.48Å; P344-L366 HydrophobicContact CB-CB 4.36Å; P344-L366 HydrophobicContact CB-CD2 4.03Å; P344-L366 HydrophobicContact CB-CG 3.94Å; G345-L366 WeakPolarHBondContact CA-O 3.42Å; G345-L366 PolarHBondContact N-O 3.33Å; G345-L366 VanDerWaalsContact N-O 3.1Å; F348-L366 HydrophobicContact CB-CB 3.83Å; F348-L366 HydrophobicContact CB-CD2 4.12Å; F348-L366 HydrophobicContact CD1-CB 4.31Å; F348-L366 HydrophobicContact CG-CB 4.05Å; L366-L382 HydrophobicContact CD1-CB 4.2Å; L366-L382 HydrophobicContact CD1-CD2 4.5Å; L366-L382 HydrophobicContact CD2-CD2 4.34Å; L366-L382 HydrophobicContact CG-CD2 4.25Å; L366-E383 WeakPolarHBondContact CA-O 3.29Å; L366-L384 HydrophobicContact CB-CD2 4.42Å; L366-L384 HydrophobicContact CD1-CD2 3.9Å; L366-F410 HydrophobicContact CD1-CE1 4.02Å; L366-F410 HydrophobicContact CD1-CZ 3.81Å
367R86.7Confident75.9Confident76 Ų7667.4 Ų67.429%0.28733%0.333SS..EExtended strand (participates in β ladder)trans-141.8169.5-179.5-64.1-172.5-177.91725111.6Q365 L382 E383 E385Q365-R367 VanDerWaalsContact CD-NE 3.33Å; Q365-R367 HydrophobicContact CG-CG 4.23Å; R367-L382 WeakPolarHBondContact O-CA 3.26Å; R367-E383 PolarHBondContact N-O 2.77Å; R367-E383 PolarHBondContact O-N 3.02Å; R367-E385 VanDerWaalsContact CD-OE2 3.26Å; R367-E385 WeakPolarHBondContact CD-OE2 3.22Å; R367-E385 IonicContact CZ-OE1 3.18Å; R367-E385 IonicContact CZ-OE2 2.93Å; R367-E385 IonicContact NE-OE2 3.95Å; R367-E385 PolarHBondContact NE-OE2 3.27Å; R367-E385 IonicContact NH1-OE1 3.81Å; R367-E385 PolarHBondContact NH1-OE1 3.43Å; R367-E385 IonicContact NH1-OE2 3.9Å; R367-E385 PolarHBondContact NH1-OE2 3.31Å; R367-E385 IonicContact NH2-OE1 3.34Å
368F83.4Confident75.7Confident10 Ų1067.8 Ų67.84%0.04433%0.333CS..EExtended strand (participates in β ladder)trans-91.7130.3170.3-73.4-64000111V332 P337 C341 P344 C381 L382V332-F368 HydrophobicContact CG1-CZ 4.17Å; P337-F368 HydrophobicContact CB-CB 4.17Å; P337-F368 HydrophobicContact CB-CD1 3.99Å; P337-F368 HydrophobicContact CB-CD2 4.4Å; P337-F368 HydrophobicContact CB-CE1 4.45Å; P337-F368 HydrophobicContact CB-CG 3.96Å; C341-F368 HydrophobicContact CB-CD2 4.1Å; C341-F368 HydrophobicContact CB-CE2 4.44Å; P344-F368 HydrophobicContact CG-CD2 3.49Å; P344-F368 VanDerWaalsContact CG-CD2 3.49Å; P344-F368 HydrophobicContact CG-CE1 4.41Å; P344-F368 HydrophobicContact CG-CE2 3.27Å; P344-F368 HydrophobicContact CG-CG 4.17Å; P344-F368 HydrophobicContact CG-CZ 3.78Å; F368-C381 CarbonylContact C-O 3.56Å; F368-C381 VanDerWaalsContact CA-O 3.23Å; F368-C381 WeakPolarHBondContact CA-O 3.5Å; F368-C381 HydrophobicContact CD1-CB 3.97Å; F368-L382 HydrophobicContact CD1-CD2 3.85Å; F368-L382 HydrophobicContact CE1-CD2 3.65Å; F368-L382 HydrophobicContact CE1-CG 4.37Å; F368-L382 HydrophobicContact CZ-CD2 4.3Å
369C79.5Confident75.9Confident35 Ų3563.4 Ų63.424%0.23631%0.306CS..  trans-90.9-33.6-17957.70000114.1C381 E383C369-C381 PolarHBondContact N-O 3.29Å; C369-C381 PolarHBondContact SG-O 3.45Å; C369-E383 HydrophobicContact CB-CB 4.22Å; C369-E383 HydrophobicContact CB-CG 3.91Å; C369-E383 VanDerWaalsContact CB-OE2 3.23Å; C369-E383 WeakPolarHBondContact CB-OE2 3.26Å
370W72.9Confident76.2Confident117 Ų11762.2 Ų62.244%0.44330%0.295SS..SBendtrans-160.5179.7177.453.475.5000111P337 S380 C381P337-W370 VanDerWaalsContact CB-O 3.27Å; P337-W370 WeakPolarHBondContact CB-O 3.39Å; W370-S380 WeakPolarHBondContact CZ2-O 3.47Å; W370-C381 WeakPolarHBondContact O-CB 3.4Å; W370-C381 PolarHBondContact O-SG 2.96Å; W370-C381 VanDerWaalsContact O-SG 3.37Å
371R59.7Low76.5Confident188 Ų18862 Ų6271%0.70929%0.294SS*.PPolyproline II helixtrans-87.1129.9173.6-63.6-170173.5163.7-0.4112P337P337-R371 HydrophobicContact CB-CG 4.33Å; P337-R371 HydrophobicContact CG-CB 4Å; P337-R371 HydrophobicContact CG-CG 3.97Å; P337-R371 WeakPolarHBondContact O-CG 3.49Å; P337-R371 PolarHBondContact O-NE 3.26Å
372A60.6Low77.2Confident35 Ų3557 Ų5729%0.28928%0.275SS..PPolyproline II helixtrans-66.7140.1172.500000110.1C381A372-C381 VanDerWaalsContact CA-SG 3.52Å; A372-C381 VanDerWaalsContact CB-SG 3.5Å; A372-C381 PolarHBondContact N-SG 3.48Å
373S64.8Low78.1Confident65 Ų6555.2 Ų55.246%0.45526%0.264SS..PPolyproline II helixtrans-73.7161160.3-168.70000109.9D375 Q376S373-D375 PolarHBondContact O-N 3.1Å; S373-D375 VanDerWaalsContact O-N 3.17Å; S373-Q376 PolarHBondContact O-N 2.67Å
374E63.9Low78.6Confident190 Ų19054.4 Ų54.489%0.88826%0.26SS*.THydrogen-bonded Turntrans-57.1-29.4175.2-67.6-176.5171.400112.3Q376E374-Q376 VanDerWaalsContact C-N 3.29Å; E374-Q376 PolarHBondContact O-N 3.33Å
375D66.3Low78.6Confident137 Ų13757.9 Ų57.973%0.73328%0.276SS*.THydrogen-bonded Turntrans-87.110179.6-52.6-40.9000113.7S373S373-D375 PolarHBondContact O-N 3.1Å; S373-D375 VanDerWaalsContact O-N 3.17Å
376Q72.7Confident78.3Confident100 Ų10056.6 Ų56.647%0.46727%0.271SS..SBendtrans-126.1143.3-176.2-68.7-177-16.700111.7S373 E374 W378S373-Q376 PolarHBondContact O-N 2.67Å; E374-Q376 VanDerWaalsContact C-N 3.29Å; E374-Q376 PolarHBondContact O-N 3.33Å; Q376-W378 PolarHBondContact O-N 2.96Å
377S80.5Confident77.6Confident4 Ų458.3 Ų58.33%0.02828%0.281CS..  trans-60.1128.9170.5-177.30000110.8L379 S380 R415 E516S377-L379 PolarHBondContact O-N 2.88Å; S377-L379 WeakPolarHBondContact OG-CB 3.25Å; S377-L379 PolarHBondContact OG-N 3.34Å; S377-S380 WeakPolarHBondContact O-CB 3.18Å; S377-S380 PolarHBondContact O-N 3.35Å; S377-S380 PolarHBondContact O-OG 3.38Å; S377-R415 VanDerWaalsContact CB-NE 3.32Å; S377-R415 PolarHBondContact OG-NE 3.11Å; S377-E516 WeakPolarHBondContact CB-OE2 3.36Å; S377-E516 PolarHBondContact OG-OE1 3.26Å; S377-E516 VanDerWaalsContact OG-OE1 3.06Å; S377-E516 PolarHBondContact OG-OE2 3Å
378W79.6Confident76.2Confident46 Ų4659.2 Ų59.217%0.17430%0.299CS..G310 helixtrans-62-23.8172.766.3-88000112.4L326 V332 K333 Q376 S380 C381 L382 Y418L326-W378 HydrophobicContact CB-CH2 4.28Å; L326-W378 HydrophobicContact CD1-CH2 4.21Å; L326-W378 HydrophobicContact CD2-CH2 3.98Å; L326-W378 HydrophobicContact CD2-CZ3 4.39Å; L326-W378 HydrophobicContact CG-CH2 4.36Å; V332-W378 HydrophobicContact CB-CH2 4.43Å; V332-W378 HydrophobicContact CB-CZ3 4.19Å; V332-W378 HydrophobicContact CG1-CE3 4.13Å; V332-W378 HydrophobicContact CG1-CH2 4.17Å; V332-W378 HydrophobicContact CG1-CZ3 3.5Å; V332-W378 VanDerWaalsContact CG1-CZ3 3.5Å; K333-W378 HydrophobicContact CD-CZ2 4.49Å; K333-W378 HydrophobicContact CG-CD2 4.42Å; K333-W378 HydrophobicContact CG-CZ2 3.87Å; Q376-W378 PolarHBondContact O-N 2.96Å; W378-S380 PolarHBondContact O-N 3.15Å; W378-C381 WeakPolarHBondContact O-CB 3.34Å; W378-C381 PolarHBondContact O-N 3.33Å; W378-C381 VanDerWaalsContact O-N 3.1Å; W378-L382 HydrophobicContact CZ3-CD1 4.12Å; W378-Y418 HydrophobicContact CZ2-CE2 4.24Å
379L85Confident74.7Confident0 Ų065.2 Ų65.20%033%0.328CS..G310 helixtrans-66-26.7174-68.2167.3000112L326 S377 C381 L382 L414 R415 Y418L326-L379 HydrophobicContact CD1-CD2 4.09Å; S377-L379 PolarHBondContact O-N 2.88Å; S377-L379 WeakPolarHBondContact OG-CB 3.25Å; S377-L379 PolarHBondContact OG-N 3.34Å; L379-C381 PolarHBondContact O-N 3Å; L379-L382 HydrophobicContact CD2-CD1 4Å; L379-L382 PolarHBondContact O-N 3.24Å; L379-L414 HydrophobicContact CD2-CD2 4.25Å; L379-L414 HydrophobicContact CD2-CG 4.5Å; L379-R415 HydrophobicContact CB-CG 3.56Å; L379-R415 HydrophobicContact CD1-CG 4.01Å; L379-R415 HydrophobicContact CG-CG 4.45Å; L379-Y418 HydrophobicContact CD1-CD1 3.74Å; L379-Y418 HydrophobicContact CD1-CD2 3.79Å; L379-Y418 HydrophobicContact CD1-CE1 4.24Å; L379-Y418 HydrophobicContact CD1-CE2 4.25Å; L379-Y418 HydrophobicContact CD1-CG 3.48Å; L379-Y418 VanDerWaalsContact CD1-CG 3.48Å; L379-Y418 HydrophobicContact CD2-CD2 4.39Å
380S83.7Confident73.2Confident22 Ų2268.4 Ų68.415%0.15434%0.339CS..G310 helixtrans-67.7-13.2174-56.80000112.7W370 S377 W378 R411 R415W370-S380 WeakPolarHBondContact CZ2-O 3.47Å; S377-S380 WeakPolarHBondContact O-CB 3.18Å; S377-S380 PolarHBondContact O-N 3.35Å; S377-S380 PolarHBondContact O-OG 3.38Å; W378-S380 PolarHBondContact O-N 3.15Å; S380-R411 VanDerWaalsContact O-CD 3.28Å; S380-R411 WeakPolarHBondContact O-CD 3.35Å; S380-R411 PolarHBondContact O-NE 3.17Å; S380-R415 WeakPolarHBondContact OG-CD 3.1Å; S380-R415 PolarHBondContact OG-NH1 3.43Å
381C84.1Confident72.2Confident0 Ų064.1 Ų64.10%032%0.324CS..G310 helixtrans-89.5-3.3175.6-64.20000113.5F368 C369 W370 A372 W378 L379F368-C381 CarbonylContact C-O 3.56Å; F368-C381 VanDerWaalsContact CA-O 3.23Å; F368-C381 WeakPolarHBondContact CA-O 3.5Å; F368-C381 HydrophobicContact CD1-CB 3.97Å; C369-C381 PolarHBondContact N-O 3.29Å; C369-C381 PolarHBondContact SG-O 3.45Å; W370-C381 WeakPolarHBondContact O-CB 3.4Å; W370-C381 PolarHBondContact O-SG 2.96Å; W370-C381 VanDerWaalsContact O-SG 3.37Å; A372-C381 VanDerWaalsContact CA-SG 3.52Å; A372-C381 VanDerWaalsContact CB-SG 3.5Å; A372-C381 PolarHBondContact N-SG 3.48Å; W378-C381 WeakPolarHBondContact O-CB 3.34Å; W378-C381 PolarHBondContact O-N 3.33Å; W378-C381 VanDerWaalsContact O-N 3.1Å; L379-C381 PolarHBondContact O-N 3Å
382L88.3Confident71.5Confident1 Ų164.9 Ų64.91%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-86.4141.2178.5-67.3173.9000111P344 L366 R367 F368 W378 L379 F410 R411 L414P344-L382 HydrophobicContact CB-CD2 3.98Å; P344-L382 HydrophobicContact CG-CD2 4.21Å; L366-L382 HydrophobicContact CD1-CB 4.2Å; L366-L382 HydrophobicContact CD1-CD2 4.5Å; L366-L382 HydrophobicContact CD2-CD2 4.34Å; L366-L382 HydrophobicContact CG-CD2 4.25Å; R367-L382 WeakPolarHBondContact O-CA 3.26Å; F368-L382 HydrophobicContact CD1-CD2 3.85Å; F368-L382 HydrophobicContact CE1-CD2 3.65Å; F368-L382 HydrophobicContact CE1-CG 4.37Å; F368-L382 HydrophobicContact CZ-CD2 4.3Å; W378-L382 HydrophobicContact CZ3-CD1 4.12Å; L379-L382 HydrophobicContact CD2-CD1 4Å; L379-L382 PolarHBondContact O-N 3.24Å; L382-F410 HydrophobicContact CB-CE1 4.49Å; L382-R411 WeakPolarHBondContact O-CG 2.86Å; L382-R411 PolarHBondContact O-NE 3.49Å; L382-L414 HydrophobicContact CB-CD2 4.4Å; L382-L414 HydrophobicContact CD1-CD2 3.76Å
383E89.9Confident70.9Confident50 Ų5066.4 Ų66.423%0.23434%0.336CS..EExtended strand (participates in β ladder)trans-143.4155.9172.677.2-178.6172.200112.2L366 R367 C369 R411L366-E383 WeakPolarHBondContact CA-O 3.29Å; R367-E383 PolarHBondContact N-O 2.77Å; R367-E383 PolarHBondContact O-N 3.02Å; C369-E383 HydrophobicContact CB-CB 4.22Å; C369-E383 HydrophobicContact CB-CG 3.91Å; C369-E383 VanDerWaalsContact CB-OE2 3.23Å; C369-E383 WeakPolarHBondContact CB-OE2 3.26Å; E383-R411 IonicContact OE2-NH2 2.76Å; E383-R411 PolarHBondContact OE2-NH2 3.36Å; E383-R411 VanDerWaalsContact OE2-NH2 3.15Å
384L89.5Confident70.3Confident1 Ų163.5 Ų63.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-97125.5171.4-67.1174.4000109.6F311 F348 V364 L366 N407 F410F311-L384 HydrophobicContact CD1-CB 4.4Å; F311-L384 HydrophobicContact CD1-CD1 4.39Å; F311-L384 HydrophobicContact CE1-CB 3.87Å; F311-L384 HydrophobicContact CE2-CB 4.44Å; F311-L384 HydrophobicContact CG-CD1 4.38Å; F311-L384 HydrophobicContact CZ-CB 3.88Å; F348-L384 HydrophobicContact CZ-CD2 4.47Å; V364-L384 HydrophobicContact CB-CD2 4.31Å; V364-L384 HydrophobicContact CG1-CB 4.41Å; L366-L384 HydrophobicContact CB-CD2 4.42Å; L366-L384 HydrophobicContact CD1-CD2 3.9Å; L384-N407 PolarHBondContact N-OD1 3.11Å; L384-N407 PolarHBondContact O-ND2 3.44Å; L384-N407 PolarHBondContact O-OD1 2.96Å; L384-F410 HydrophobicContact CD1-CD1 4.42Å; L384-F410 HydrophobicContact CD1-CD2 3.58Å; L384-F410 HydrophobicContact CD1-CE1 4.48Å; L384-F410 HydrophobicContact CD1-CE2 3.67Å; L384-F410 HydrophobicContact CD1-CG 3.98Å; L384-F410 HydrophobicContact CD1-CZ 4.12Å; L384-F410 HydrophobicContact CD2-CE2 4.47Å; L384-F410 HydrophobicContact CD2-CZ 4.23Å; L384-F410 HydrophobicContact CG-CD1 4.13Å; L384-F410 HydrophobicContact CG-CD2 4.1Å; L384-F410 HydrophobicContact CG-CE1 3.94Å; L384-F410 HydrophobicContact CG-CE2 3.93Å; L384-F410 HydrophobicContact CG-CG 4.21Å; L384-F410 HydrophobicContact CG-CZ 3.84Å
385E84.8Confident69.7Low76 Ų7655.9 Ų55.936%0.35529%0.288SS..EExtended strand (participates in β ladder)trans-102.5133.3170.4-174.8175.3145.100109.7V364 Q365 R367V364-E385 CarbonylContact C-O 3.52Å; V364-E385 VanDerWaalsContact CA-O 3.24Å; V364-E385 WeakPolarHBondContact CA-O 3.43Å; Q365-E385 PolarHBondContact N-O 3.34Å; Q365-E385 PolarHBondContact O-N 2.89Å; R367-E385 VanDerWaalsContact CD-OE2 3.26Å; R367-E385 WeakPolarHBondContact CD-OE2 3.22Å; R367-E385 IonicContact CZ-OE1 3.18Å; R367-E385 IonicContact CZ-OE2 2.93Å; R367-E385 IonicContact NE-OE2 3.95Å; R367-E385 PolarHBondContact NE-OE2 3.27Å; R367-E385 IonicContact NH1-OE1 3.81Å; R367-E385 PolarHBondContact NH1-OE1 3.43Å; R367-E385 IonicContact NH1-OE2 3.9Å; R367-E385 PolarHBondContact NH1-OE2 3.31Å; R367-E385 IonicContact NH2-OE1 3.34Å
386L79.1Confident69.1Low34 Ų3452.7 Ų52.718%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-77.1125.7175.4-74.7171.8000110.5F311 I363 V364 S388 I391 I403F311-L386 HydrophobicContact CE2-CD2 3.99Å; F311-L386 HydrophobicContact CE2-CG 4.18Å; F311-L386 HydrophobicContact CZ-CG 4.33Å; I363-L386 WeakPolarHBondContact O-CA 3.46Å; V364-L386 HydrophobicContact CG1-CD2 3.86Å; L386-S388 PolarHBondContact O-N 3Å; L386-I391 HydrophobicContact CB-CD1 3.77Å; L386-I391 HydrophobicContact CD1-CD1 3.81Å; L386-I391 HydrophobicContact CD2-CD1 3.9Å; L386-I391 HydrophobicContact CG-CD1 4.04Å; L386-I403 HydrophobicContact CD1-CD1 3.39Å; L386-I403 HydrophobicContact CD1-CG1 4.02Å
387V74Confident68.6Low37 Ų3748.5 Ų48.522%0.22425%0.25CC..PPolyproline II helixtrans-78.4117.4177.5-177.20000109I363 Q365 E389I363-V387 PolarHBondContact O-N 3.28Å; Q365-V387 HydrophobicContact CB-CG2 4.3Å; V387-E389 VanDerWaalsContact C-N 3.25Å; V387-E389 PolarHBondContact O-N 3.11Å; V387-E389 VanDerWaalsContact O-N 3.14Å
388S57.5Low67.9Low95 Ų9549 Ų4966%0.66425%0.252SS*.THydrogen-bonded Turntrans-66.9-13.9-166.544.70000115.7L386 Q390L386-S388 PolarHBondContact O-N 3Å; S388-Q390 PolarHBondContact O-N 2.91Å
389E52.9Low67.4Low137 Ų13751 Ų5164%0.6427%0.265SS*.THydrogen-bonded Turntrans-72.7-24-170.3-68.5-169160.100115.1V387V387-E389 VanDerWaalsContact C-N 3.25Å; V387-E389 PolarHBondContact O-N 3.11Å; V387-E389 VanDerWaalsContact O-N 3.14Å
390Q48.2Very low66.8Low102 Ų10256.3 Ų56.348%0.47730%0.299SS..THydrogen-bonded Turntrans-107.3-17178.9-71.6-156.9-19.600115.2N362 S388 R392N362-Q390 HydrophobicContact CB-CG 4.33Å; S388-Q390 PolarHBondContact O-N 2.91Å; Q390-R392 PolarHBondContact O-N 3.25Å; Q390-R392 VanDerWaalsContact O-N 3.07Å
391I51.3Low66.5Low26 Ų2659.9 Ų59.913%0.13332%0.317CS..  trans-83.225.6175.1-27-177.7000111.2L386 S393 S394 G395L386-I391 HydrophobicContact CB-CD1 3.77Å; L386-I391 HydrophobicContact CD1-CD1 3.81Å; L386-I391 HydrophobicContact CD2-CD1 3.9Å; L386-I391 HydrophobicContact CG-CD1 4.04Å; I391-S393 PolarHBondContact O-N 3.12Å; I391-S393 VanDerWaalsContact O-N 3.15Å; I391-S394 WeakPolarHBondContact CG2-OG 3.48Å; I391-S394 PolarHBondContact O-N 3.37Å; I391-G395 VanDerWaalsContact CG2-N 3.27Å; I391-G395 VanDerWaalsContact O-CA 3.31Å; I391-G395 WeakPolarHBondContact O-CA 3.4Å; I391-G395 PolarHBondContact O-N 3.04Å
392R45.8Very low66.5Low204 Ų20460.1 Ų60.177%0.7732%0.318SS*.THydrogen-bonded Turntrans-65.2-15.8-174.7-92.5-175.3176.7148.72114.3Q390Q390-R392 PolarHBondContact O-N 3.25Å; Q390-R392 VanDerWaalsContact O-N 3.07Å
393S47.4Very low66.3Low67 Ų6761.4 Ų61.447%0.46933%0.325SS..THydrogen-bonded Turntrans-103.4-23.6174.154.10000114.4I294 I391 H396I294-S393 VanDerWaalsContact CG2-O 3.29Å; I294-S393 WeakPolarHBondContact CG2-O 3.48Å; I391-S393 PolarHBondContact O-N 3.12Å; I391-S393 VanDerWaalsContact O-N 3.15Å; S393-H396 PolarHBondContact O-CE1 3.03Å
394S52.5Low66.2Low4 Ų462 Ų623%0.02833%0.334CS..THydrogen-bonded Turntrans-130.40.4-171.657.50000115I391 H396 L397I391-S394 WeakPolarHBondContact CG2-OG 3.48Å; I391-S394 PolarHBondContact O-N 3.37Å; S394-H396 PolarHBondContact O-N 3.17Å; S394-L397 WeakPolarHBondContact O-CA 3.2Å; S394-L397 WeakPolarHBondContact O-CB 3.42Å; S394-L397 WeakPolarHBondContact O-CG 3.11Å; S394-L397 PolarHBondContact O-N 3.4Å
395G49.7Very low66.2Low31 Ų3164 Ų6432%0.3234%0.342SS..G310 helixtrans-68.1-25.7-171.200000113.3I391 L397 F398I391-G395 VanDerWaalsContact CG2-N 3.27Å; I391-G395 VanDerWaalsContact O-CA 3.31Å; I391-G395 WeakPolarHBondContact O-CA 3.4Å; I391-G395 PolarHBondContact O-N 3.04Å; G395-L397 PolarHBondContact O-N 3.23Å; G395-F398 PolarHBondContact O-N 3.43Å
396H55Low66.5Low69 Ų6960.4 Ų60.432%0.31933%0.325SS..G310 helixtrans-72.3-11.2170.855-105.4000113.4K231 E234 S393 S394K231-H396 PolarHBondContact NZ-CD2 2.86Å; E234-H396 IonicContact OE2-CE1 3Å; E234-H396 IonicContact OE2-ND1 3.24Å; S393-H396 PolarHBondContact O-CE1 3.03Å; S394-H396 PolarHBondContact O-N 3.17Å
397L61.9Low67.1Low12 Ų1259.1 Ų59.16%0.06332%0.318CS..G310 helixtrans-76.9-27.4174.5-59.7177.8000111.7W291 I294 L300 S394 G395 L399 F482W291-L397 HydrophobicContact CE3-CD2 4.49Å; W291-L397 HydrophobicContact CZ3-CD1 4.16Å; W291-L397 HydrophobicContact CZ3-CD2 4.04Å; I294-L397 HydrophobicContact CG2-CD1 4.17Å; L300-L397 HydrophobicContact CD1-CD1 3.8Å; S394-L397 WeakPolarHBondContact O-CA 3.2Å; S394-L397 WeakPolarHBondContact O-CB 3.42Å; S394-L397 WeakPolarHBondContact O-CG 3.11Å; S394-L397 PolarHBondContact O-N 3.4Å; G395-L397 PolarHBondContact O-N 3.23Å; L397-L399 PolarHBondContact O-N 3.34Å; L397-F482 HydrophobicContact CB-CD1 4.01Å; L397-F482 HydrophobicContact CB-CE1 3.66Å; L397-F482 HydrophobicContact CD1-CE1 4.46Å
398F65.8Low67.9Low16 Ų1660.8 Ų60.87%0.0732%0.324CS..SBendtrans-97.196.3178.6-60.8-70.6000109.9I307 G395 V402 I403 F482 M486I307-F398 HydrophobicContact CD1-CD1 3.41Å; I307-F398 VanDerWaalsContact CD1-CD1 3.41Å; I307-F398 HydrophobicContact CD1-CD2 3.73Å; I307-F398 HydrophobicContact CD1-CE1 3.19Å; I307-F398 HydrophobicContact CD1-CE2 3.51Å; I307-F398 HydrophobicContact CD1-CG 3.68Å; I307-F398 HydrophobicContact CD1-CZ 3.24Å; I307-F398 HydrophobicContact CG1-CZ 4.42Å; G395-F398 PolarHBondContact O-N 3.43Å; F398-V402 HydrophobicContact CD1-CG1 4.15Å; F398-I403 HydrophobicContact CB-CD1 3.97Å; F398-I403 HydrophobicContact CB-CG1 4.31Å; F398-F482 HydrophobicContact CD1-CE1 4.44Å; F398-F482 HydrophobicContact CE1-CE1 4.01Å; F398-F482 AromaticContact CE1-CZ 3.68Å; F398-F482 HydrophobicContact CE1-CZ 3.68Å; F398-F482 HydrophobicContact CZ-CE1 4.34Å; F398-F482 AromaticContact CZ-CZ 3.81Å; F398-F482 HydrophobicContact CZ-CZ 3.81Å; F398-M486 HydrophobicContact CE1-CE 3.98Å; F398-M486 HydrophobicContact CE1-SD 4.48Å
399L68.4Low69.6Low88 Ų8856.2 Ų56.246%0.46129%0.292SS..  trans-57.1145.2174.6-68.4162.8000110.4L397 N401 V402 I403L397-L399 PolarHBondContact O-N 3.34Å; L399-N401 PolarHBondContact O-N 3.24Å; L399-V402 HydrophobicContact CB-CG2 4.48Å; L399-V402 WeakPolarHBondContact O-CB 3.36Å; L399-V402 PolarHBondContact O-N 2.95Å; L399-I403 PolarHBondContact O-N 3.32Å
400P72.4Confident71.6Confident110 Ų11049.7 Ų49.771%0.71426%0.262SS*.Hα-helixtrans-52.5-32177.4-28.434.9000113.7I403 S404P400-I403 PolarHBondContact O-N 3.03Å; P400-S404 PolarHBondContact O-N 3Å
401N78Confident73.7Confident97 Ų9745.4 Ų45.452%0.51924%0.241SC..Hα-helixtrans-61.5-43.7174.9-172.126.8000112.5L399 I403 S404 R405L399-N401 PolarHBondContact O-N 3.24Å; N401-I403 VanDerWaalsContact C-N 3.34Å; N401-I403 PolarHBondContact O-N 3.1Å; N401-S404 PolarHBondContact O-N 3.36Å; N401-R405 WeakPolarHBondContact O-CG 3.47Å; N401-R405 PolarHBondContact O-N 2.83Å
402V83.7Confident75.7Confident5 Ų544.3 Ų44.33%0.0324%0.235CC..Hα-helixtrans-61.3-44.5177.11620000110.5F398 L399 R405 C406 I490F398-V402 HydrophobicContact CD1-CG1 4.15Å; L399-V402 HydrophobicContact CB-CG2 4.48Å; L399-V402 WeakPolarHBondContact O-CB 3.36Å; L399-V402 PolarHBondContact O-N 2.95Å; V402-R405 PolarHBondContact O-N 3.46Å; V402-C406 PolarHBondContact O-N 3.21Å; V402-C406 PolarHBondContact O-SG 3.3Å; V402-I490 HydrophobicContact CB-CD1 4.14Å; V402-I490 HydrophobicContact CG1-CD1 3.46Å; V402-I490 VanDerWaalsContact CG1-CD1 3.46Å; V402-I490 HydrophobicContact CG2-CD1 4.18Å
403I85.1Confident78Confident28 Ų2835 Ų3514%0.14420%0.201CC..Hα-helixtrans-65.9-41.5178.6-59.2-53.5000111.8F311 L386 F398 L399 P400 N401 R405 C406 N407F311-I403 HydrophobicContact CE1-CG2 4.29Å; F311-I403 HydrophobicContact CZ-CG2 4.07Å; L386-I403 HydrophobicContact CD1-CD1 3.39Å; L386-I403 HydrophobicContact CD1-CG1 4.02Å; F398-I403 HydrophobicContact CB-CD1 3.97Å; F398-I403 HydrophobicContact CB-CG1 4.31Å; L399-I403 PolarHBondContact O-N 3.32Å; P400-I403 PolarHBondContact O-N 3.03Å; N401-I403 VanDerWaalsContact C-N 3.34Å; N401-I403 PolarHBondContact O-N 3.1Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 3.49Å; I403-C406 PolarHBondContact O-N 3.08Å; I403-N407 PolarHBondContact O-N 3.15Å
404S86.3Confident80.2Confident63 Ų6331.9 Ų31.944%0.44118%0.179SC..Hα-helixtrans-56.8-46.3174.7-171.30000111.4P400 N401 N407 E408P400-S404 PolarHBondContact O-N 3Å; N401-S404 PolarHBondContact O-N 3.36Å; S404-N407 WeakPolarHBondContact O-CB 3.35Å; S404-N407 PolarHBondContact O-N 3.34Å; S404-E408 PolarHBondContact O-N 2.91Å
405R90.4Very high82.2Confident43 Ų4332.2 Ų32.216%0.16218%0.179CC..Hα-helixtrans-66.3-40.3178-70.3176.169.8-167.96.7112.6N401 V402 I403 N407 E408 I409 D487 I490 Y491 E494N401-R405 WeakPolarHBondContact O-CG 3.47Å; N401-R405 PolarHBondContact O-N 2.83Å; V402-R405 PolarHBondContact O-N 3.46Å; I403-R405 VanDerWaalsContact C-N 3.31Å; I403-R405 PolarHBondContact O-N 3.49Å; R405-N407 PolarHBondContact O-N 3.29Å; R405-E408 WeakPolarHBondContact O-CB 3.32Å; R405-E408 PolarHBondContact O-N 3.31Å; R405-I409 PolarHBondContact O-N 2.9Å; R405-D487 IonicContact NH1-OD1 3.61Å; R405-D487 PolarHBondContact NH1-OD1 3.23Å; R405-I490 HydrophobicContact CB-CG2 3.82Å; R405-Y491 VanDerWaalsContact NH2-CA 3.32Å; R405-E494 WeakPolarHBondContact CB-OE1 3.34Å; R405-E494 IonicContact CZ-OE1 2.7Å; R405-E494 IonicContact CZ-OE2 2.64Å; R405-E494 IonicContact NE-OE1 2.85Å; R405-E494 PolarHBondContact NE-OE1 3.1Å; R405-E494 IonicContact NE-OE2 2.82Å; R405-E494 PolarHBondContact NE-OE2 3.18Å; R405-E494 IonicContact NH2-OE1 3.1Å; R405-E494 IonicContact NH2-OE2 2.85Å; R405-E494 PolarHBondContact NH2-OE2 3Å
406C91.6Very high84.2Confident0 Ų030.8 Ų30.80%016%0.164CC..Hα-helixtrans-60.1-35.4171.8-71.80000112.1F311 V402 I403 I409 F410F311-C406 HydrophobicContact CB-CB 4.11Å; F311-C406 HydrophobicContact CD1-CB 3.48Å; F311-C406 VanDerWaalsContact CD1-CB 3.48Å; F311-C406 HydrophobicContact CE1-CB 3.98Å; F311-C406 HydrophobicContact CG-CB 3.85Å; V402-C406 PolarHBondContact O-N 3.21Å; V402-C406 PolarHBondContact O-SG 3.3Å; I403-C406 PolarHBondContact O-N 3.08Å; C406-I409 PolarHBondContact O-N 2.89Å; C406-F410 WeakPolarHBondContact O-CB 3.35Å; C406-F410 PolarHBondContact O-N 2.91Å
407N91.4Very high86.1Confident7 Ų728.6 Ų28.64%0.03715%0.153CC..Hα-helixtrans-68-33.6175.9-92-41.6000113F311 L384 I403 S404 R405 F410 R411F311-N407 WeakPolarHBondContact CE1-OD1 3.48Å; L384-N407 PolarHBondContact N-OD1 3.11Å; L384-N407 PolarHBondContact O-ND2 3.44Å; L384-N407 PolarHBondContact O-OD1 2.96Å; I403-N407 PolarHBondContact O-N 3.15Å; S404-N407 WeakPolarHBondContact O-CB 3.35Å; S404-N407 PolarHBondContact O-N 3.34Å; R405-N407 PolarHBondContact O-N 3.29Å; N407-F410 PolarHBondContact O-N 3.29Å; N407-R411 VanDerWaalsContact O-CG 3.31Å; N407-R411 WeakPolarHBondContact O-CG 3.29Å; N407-R411 PolarHBondContact O-N 3.4Å
408E90.7Very high87.6Confident72 Ų7228 Ų2834%0.33615%0.15SC..Hα-helixtrans-61.1-45.6171.2-63.5-53.1141.600111.5S404 R405 R411 F412S404-E408 PolarHBondContact O-N 2.91Å; R405-E408 WeakPolarHBondContact O-CB 3.32Å; R405-E408 PolarHBondContact O-N 3.31Å; E408-R411 VanDerWaalsContact CD-NH1 3.29Å; E408-R411 PolarHBondContact O-N 3.01Å; E408-R411 IonicContact OE1-CZ 3.48Å; E408-R411 IonicContact OE1-NH1 3.7Å; E408-R411 PolarHBondContact OE1-NH1 3.39Å; E408-R411 IonicContact OE2-NH1 2.86Å; E408-F412 PolarHBondContact O-N 3.26Å; E408-F412 VanDerWaalsContact O-N 3.15Å
409I94Very high88.9Confident0 Ų027.3 Ų27.30%015%0.147CC..Hα-helixtrans-62.2-45.2174.4-62.8163.2000110.6F312 R405 C406 R411 F412 L413 I490 L493 E494 L497 I499F312-I409 HydrophobicContact CD1-CB 4.42Å; F312-I409 HydrophobicContact CD1-CG2 3.71Å; F312-I409 HydrophobicContact CE1-CB 4.34Å; F312-I409 HydrophobicContact CE1-CD1 3.84Å; F312-I409 HydrophobicContact CE1-CG2 4.05Å; R405-I409 PolarHBondContact O-N 2.9Å; C406-I409 PolarHBondContact O-N 2.89Å; I409-R411 PolarHBondContact O-N 2.81Å; I409-F412 WeakPolarHBondContact O-CB 3.4Å; I409-F412 PolarHBondContact O-N 3.48Å; I409-L413 HydrophobicContact CG2-CD1 3.77Å; I409-L413 HydrophobicContact CG2-CG 4.17Å; I409-L413 VanDerWaalsContact O-CG 3.27Å; I409-L413 WeakPolarHBondContact O-CG 3.35Å; I409-L413 PolarHBondContact O-N 2.95Å; I409-I490 HydrophobicContact CD1-CG2 4.27Å; I409-L493 HydrophobicContact CD1-CD2 3.79Å; I409-L493 HydrophobicContact CD1-CG 4Å; I409-E494 HydrophobicContact CD1-CG 3.99Å; I409-E494 HydrophobicContact CG1-CG 4.12Å; I409-L497 HydrophobicContact CG1-CD1 4.37Å; I409-L497 HydrophobicContact CG2-CD1 3.67Å; I409-I499 HydrophobicContact CB-CD1 4.35Å; I409-I499 HydrophobicContact CG1-CD1 3.62Å
410F94.6Very high90.1Very high0 Ų024.6 Ų24.60%013%0.132CC..Hα-helixtrans-56.8-48.1179.5165.1-105.6000112.3F311 Q313 F319 L366 L382 L384 C406 N407 F412 L413 L414F311-F410 HydrophobicContact CD1-CB 4.27Å; F311-F410 WeakPolarHBondContact O-CA 3.47Å; Q313-F410 HydrophobicContact CG-CD2 4.33Å; Q313-F410 PolarHBondContact NE2-O 3.37Å; F319-F410 AromaticContact CE1-CE2 3.76Å; F319-F410 HydrophobicContact CE1-CE2 3.76Å; F319-F410 HydrophobicContact CZ-CE2 4.44Å; L366-F410 HydrophobicContact CD1-CE1 4.02Å; L366-F410 HydrophobicContact CD1-CZ 3.81Å; L382-F410 HydrophobicContact CB-CE1 4.49Å; L384-F410 HydrophobicContact CD1-CD1 4.42Å; L384-F410 HydrophobicContact CD1-CD2 3.58Å; L384-F410 HydrophobicContact CD1-CE1 4.48Å; L384-F410 HydrophobicContact CD1-CE2 3.67Å; L384-F410 HydrophobicContact CD1-CG 3.98Å; L384-F410 HydrophobicContact CD1-CZ 4.12Å; L384-F410 HydrophobicContact CD2-CE2 4.47Å; L384-F410 HydrophobicContact CD2-CZ 4.23Å; L384-F410 HydrophobicContact CG-CD1 4.13Å; L384-F410 HydrophobicContact CG-CD2 4.1Å; L384-F410 HydrophobicContact CG-CE1 3.94Å; L384-F410 HydrophobicContact CG-CE2 3.93Å; L384-F410 HydrophobicContact CG-CG 4.21Å; L384-F410 HydrophobicContact CG-CZ 3.84Å; C406-F410 WeakPolarHBondContact O-CB 3.35Å; C406-F410 PolarHBondContact O-N 2.91Å; N407-F410 PolarHBondContact O-N 3.29Å; F410-F412 VanDerWaalsContact C-N 3.34Å; F410-F412 PolarHBondContact O-N 2.88Å; F410-L413 PolarHBondContact O-N 3.37Å; F410-L414 HydrophobicContact CE1-CD2 4.26Å; F410-L414 HydrophobicContact CZ-CD2 3.9Å; F410-L414 WeakPolarHBondContact O-CB 3.44Å; F410-L414 PolarHBondContact O-N 3.41Å
411R92.5Very high91Very high12 Ų1220.3 Ų20.35%0.04510%0.104CC..Hα-helixtrans-60.7-44.5179.2-72.4171.5-166.2124.30.4111.6S380 L382 E383 N407 E408 I409 L413 L414 R415S380-R411 VanDerWaalsContact O-CD 3.28Å; S380-R411 WeakPolarHBondContact O-CD 3.35Å; S380-R411 PolarHBondContact O-NE 3.17Å; L382-R411 WeakPolarHBondContact O-CG 2.86Å; L382-R411 PolarHBondContact O-NE 3.49Å; E383-R411 IonicContact OE2-NH2 2.76Å; E383-R411 PolarHBondContact OE2-NH2 3.36Å; E383-R411 VanDerWaalsContact OE2-NH2 3.15Å; N407-R411 VanDerWaalsContact O-CG 3.31Å; N407-R411 WeakPolarHBondContact O-CG 3.29Å; N407-R411 PolarHBondContact O-N 3.4Å; E408-R411 VanDerWaalsContact CD-NH1 3.29Å; E408-R411 PolarHBondContact O-N 3.01Å; E408-R411 IonicContact OE1-CZ 3.48Å; E408-R411 IonicContact OE1-NH1 3.7Å; E408-R411 PolarHBondContact OE1-NH1 3.39Å; E408-R411 IonicContact OE2-NH1 2.86Å; I409-R411 PolarHBondContact O-N 2.81Å; R411-L413 PolarHBondContact O-N 2.99Å; R411-L414 PolarHBondContact O-N 2.9Å; R411-R415 WeakPolarHBondContact O-CG 3.42Å; R411-R415 PolarHBondContact O-N 3Å
412F92.9Very high91.7Very high3 Ų316 Ų161%0.0138%0.081CC..Hα-helixtrans-54.8-54176-177.5-128000112.3E408 I409 F410 L414 R415 L416 Q458 L497 W505 I508 M512E408-F412 PolarHBondContact O-N 3.26Å; E408-F412 VanDerWaalsContact O-N 3.15Å; I409-F412 WeakPolarHBondContact O-CB 3.4Å; I409-F412 PolarHBondContact O-N 3.48Å; F410-F412 VanDerWaalsContact C-N 3.34Å; F410-F412 PolarHBondContact O-N 2.88Å; F412-L414 VanDerWaalsContact C-N 3.28Å; F412-L414 PolarHBondContact O-N 2.82Å; F412-R415 PolarHBondContact O-N 3.47Å; F412-L416 PolarHBondContact O-N 3.33Å; F412-Q458 HydrophobicContact CE1-CG 4.35Å; F412-L497 HydrophobicContact CD1-CB 4.3Å; F412-L497 HydrophobicContact CD1-CD1 4.45Å; F412-L497 HydrophobicContact CE1-CB 3.96Å; F412-L497 HydrophobicContact CE1-CD2 4.21Å; F412-W505 HydrophobicContact CB-CH2 3.67Å; F412-W505 HydrophobicContact CB-CZ3 4.13Å; F412-W505 HydrophobicContact CD1-CZ3 4.17Å; F412-W505 HydrophobicContact CD2-CE3 4.23Å; F412-W505 AromaticContact CD2-CH2 3.18Å; F412-W505 HydrophobicContact CD2-CH2 3.18Å; F412-W505 HydrophobicContact CD2-CZ2 4.31Å; F412-W505 AromaticContact CD2-CZ3 3.1Å; F412-W505 HydrophobicContact CD2-CZ3 3.1Å; F412-W505 HydrophobicContact CE1-CZ3 4.32Å; F412-W505 HydrophobicContact CE2-CE3 4.09Å; F412-W505 AromaticContact CE2-CH2 3.88Å; F412-W505 HydrophobicContact CE2-CH2 3.88Å; F412-W505 AromaticContact CE2-CZ3 3.32Å; F412-W505 HydrophobicContact CE2-CZ3 3.32Å; F412-W505 AromaticContact CG-CH2 3.56Å; F412-W505 HydrophobicContact CG-CH2 3.56Å; F412-W505 AromaticContact CG-CZ3 3.53Å; F412-W505 HydrophobicContact CG-CZ3 3.53Å; F412-W505 AromaticContact CZ-CZ3 3.91Å; F412-W505 HydrophobicContact CZ-CZ3 3.91Å; F412-I508 HydrophobicContact CE2-CG2 3.83Å; F412-I508 HydrophobicContact CZ-CG2 4.24Å; F412-M512 HydrophobicContact CD2-CE 3.99Å; F412-M512 HydrophobicContact CE2-CE 3.98Å; F412-M512 HydrophobicContact CE2-SD 4.45Å
413L94.5Very high92.1Very high9 Ų915.9 Ų15.95%0.0478%0.08CC..Hα-helixtrans-65.2-36.3-176.5-63.9178000111.4Q313 I409 F410 R411 R417 I462Q313-L413 HydrophobicContact CG-CB 4.21Å; Q313-L413 HydrophobicContact CG-CD1 4.44Å; I409-L413 HydrophobicContact CG2-CD1 3.77Å; I409-L413 HydrophobicContact CG2-CG 4.17Å; I409-L413 VanDerWaalsContact O-CG 3.27Å; I409-L413 WeakPolarHBondContact O-CG 3.35Å; I409-L413 PolarHBondContact O-N 2.95Å; F410-L413 PolarHBondContact O-N 3.37Å; R411-L413 PolarHBondContact O-N 2.99Å; L413-R417 VanDerWaalsContact O-CB 3.29Å; L413-R417 WeakPolarHBondContact O-CB 3.5Å; L413-R417 PolarHBondContact O-N 3.04Å; L413-I462 HydrophobicContact CD1-CD1 3.57Å; L413-I462 HydrophobicContact CD2-CD1 3.61Å; L413-I462 HydrophobicContact CG-CD1 4.23Å
414L93.8Very high92.3Very high0 Ų020.1 Ų20.10%010%0.098CC..Hα-helixtrans-65-45.2178.5-174.764.2000110.5L322 V323 L379 L382 F410 R411 F412 R417 Y418L322-L414 HydrophobicContact CD2-CD1 4.18Å; V323-L414 HydrophobicContact CG2-CD1 4.02Å; L379-L414 HydrophobicContact CD2-CD2 4.25Å; L379-L414 HydrophobicContact CD2-CG 4.5Å; L382-L414 HydrophobicContact CB-CD2 4.4Å; L382-L414 HydrophobicContact CD1-CD2 3.76Å; F410-L414 HydrophobicContact CE1-CD2 4.26Å; F410-L414 HydrophobicContact CZ-CD2 3.9Å; F410-L414 WeakPolarHBondContact O-CB 3.44Å; F410-L414 PolarHBondContact O-N 3.41Å; R411-L414 PolarHBondContact O-N 2.9Å; F412-L414 VanDerWaalsContact C-N 3.28Å; F412-L414 PolarHBondContact O-N 2.82Å; L414-R417 PolarHBondContact O-N 3.25Å; L414-Y418 VanDerWaalsContact O-CB 3.26Å; L414-Y418 WeakPolarHBondContact O-CB 3.34Å; L414-Y418 PolarHBondContact O-N 2.86Å
415R92.6Very high92.4Very high12 Ų1220.7 Ų20.75%0.0459%0.09CC..Hα-helixtrans-65.9-40.1178.5-74.2-178.465.3-155.5-7.8112.9S377 L379 S380 R411 F412 Y418 S419 D509 M512 E516S377-R415 VanDerWaalsContact CB-NE 3.32Å; S377-R415 PolarHBondContact OG-NE 3.11Å; L379-R415 HydrophobicContact CB-CG 3.56Å; L379-R415 HydrophobicContact CD1-CG 4.01Å; L379-R415 HydrophobicContact CG-CG 4.45Å; S380-R415 WeakPolarHBondContact OG-CD 3.1Å; S380-R415 PolarHBondContact OG-NH1 3.43Å; R411-R415 WeakPolarHBondContact O-CG 3.42Å; R411-R415 PolarHBondContact O-N 3Å; F412-R415 PolarHBondContact O-N 3.47Å; R415-Y418 WeakPolarHBondContact O-CB 3.33Å; R415-Y418 PolarHBondContact O-N 3.2Å; R415-S419 WeakPolarHBondContact O-CB 3.24Å; R415-S419 PolarHBondContact O-N 3.32Å; R415-S419 PolarHBondContact O-OG 2.76Å; R415-D509 IonicContact CZ-OD1 3.95Å; R415-D509 IonicContact NH1-OD1 2.79Å; R415-D509 PolarHBondContact NH1-OD1 3.34Å; R415-D509 IonicContact NH2-OD1 2.92Å; R415-D509 PolarHBondContact NH2-OD1 3.21Å; R415-M512 HydrophobicContact CB-CE 4.31Å; R415-M512 HydrophobicContact CB-SD 3.98Å; R415-E516 IonicContact CZ-OE1 3.31Å; R415-E516 IonicContact NE-OE1 2.83Å; R415-E516 PolarHBondContact NE-OE1 3.13Å; R415-E516 VanDerWaalsContact NE-OE1 3.16Å; R415-E516 IonicContact NH2-OE1 2.72Å
416L93.5Very high92.3Very high0 Ų019.8 Ų19.80%09%0.089CC..Hα-helixtrans-67.9-44.7176-173.168.1000111.6F412 Y418 S419 H420 I451 L454 Y455 Q458 M512F412-L416 PolarHBondContact O-N 3.33Å; L416-Y418 VanDerWaalsContact C-N 3.27Å; L416-Y418 PolarHBondContact O-N 3.29Å; L416-S419 PolarHBondContact O-N 3.13Å; L416-H420 WeakPolarHBondContact O-CB 3.4Å; L416-H420 PolarHBondContact O-N 3.15Å; L416-I451 HydrophobicContact CD1-CD1 3.98Å; L416-I451 HydrophobicContact CD1-CG2 4.04Å; L416-L454 HydrophobicContact CD1-CB 4.19Å; L416-L454 HydrophobicContact CD2-CB 4.13Å; L416-Y455 HydrophobicContact CD2-CD2 4.38Å; L416-Y455 HydrophobicContact CG-CD2 4.4Å; L416-Q458 HydrophobicContact CD2-CG 4.25Å; L416-Q458 VanDerWaalsContact CD2-NE2 3.29Å; L416-M512 HydrophobicContact CB-SD 3.86Å; L416-M512 HydrophobicContact CD1-CG 4.19Å; L416-M512 HydrophobicContact CD1-SD 4.06Å
417R94.2Very high92Very high23 Ų2323.8 Ų23.89%0.08710%0.104CC..Hα-helixtrans-60.2-40.8176.4-176.5170.7-89.2153.6-7111.1Q313 D320 V323 L413 L414 H420 C421 Y455Q313-R417 VanDerWaalsContact CB-NH1 3.28Å; Q313-R417 PolarHBondContact O-NH1 2.78Å; D320-R417 IonicContact OD1-CZ 2.62Å; D320-R417 IonicContact OD1-NE 3.1Å; D320-R417 PolarHBondContact OD1-NE 3.26Å; V323-R417 HydrophobicContact CG2-CG 4.07Å; L413-R417 VanDerWaalsContact O-CB 3.29Å; L413-R417 WeakPolarHBondContact O-CB 3.5Å; L413-R417 PolarHBondContact O-N 3.04Å; L414-R417 PolarHBondContact O-N 3.25Å; R417-H420 PolarHBondContact O-N 3.48Å; R417-C421 WeakPolarHBondContact O-CB 3.21Å; R417-C421 PolarHBondContact O-N 2.94Å; R417-C421 PolarHBondContact O-SG 3.47Å; R417-Y455 HydrophobicContact CB-CE2 4.03Å; R417-Y455 HydrophobicContact CG-CE2 4.13Å; R417-Y455 PolarHBondContact NE-OH 2.9Å; R417-Y455 VanDerWaalsContact NE-OH 3.12Å; R417-Y455 PolarHBondContact NH2-OH 2.89Å
418Y93.6Very high91.7Very high1 Ų127.1 Ų27.10%0.00412%0.121CC..Hα-helixtrans-57.9-53.8172.9-172.9-88.5000112V323 L326 L327 K333 W378 L379 L414 R415 L416 H420 C421 L422 E516 E519V323-Y418 HydrophobicContact CG1-CD2 4.18Å; L326-Y418 HydrophobicContact CB-CE2 4.19Å; L327-Y418 HydrophobicContact CD2-CD2 4.2Å; L327-Y418 HydrophobicContact CD2-CE1 3.94Å; L327-Y418 HydrophobicContact CD2-CE2 3.6Å; L327-Y418 VanDerWaalsContact CD2-CZ 3.46Å; L327-Y418 HydrophobicContact CG-CD2 4.28Å; L327-Y418 HydrophobicContact CG-CE2 3.85Å; K333-Y418 VanDerWaalsContact CE-OH 3.27Å; K333-Y418 WeakPolarHBondContact CE-OH 3.24Å; K333-Y418 PolarHBondContact NZ-OH 3.26Å; W378-Y418 HydrophobicContact CZ2-CE2 4.24Å; L379-Y418 HydrophobicContact CD1-CD1 3.74Å; L379-Y418 HydrophobicContact CD1-CD2 3.79Å; L379-Y418 HydrophobicContact CD1-CE1 4.24Å; L379-Y418 HydrophobicContact CD1-CE2 4.25Å; L379-Y418 HydrophobicContact CD1-CG 3.48Å; L379-Y418 VanDerWaalsContact CD1-CG 3.48Å; L379-Y418 HydrophobicContact CD2-CD2 4.39Å; L414-Y418 VanDerWaalsContact O-CB 3.26Å; L414-Y418 WeakPolarHBondContact O-CB 3.34Å; L414-Y418 PolarHBondContact O-N 2.86Å; R415-Y418 WeakPolarHBondContact O-CB 3.33Å; R415-Y418 PolarHBondContact O-N 3.2Å; L416-Y418 VanDerWaalsContact C-N 3.27Å; L416-Y418 PolarHBondContact O-N 3.29Å; Y418-H420 VanDerWaalsContact C-N 3.29Å; Y418-H420 PolarHBondContact O-N 2.95Å; Y418-C421 PolarHBondContact O-N 3.32Å; Y418-L422 HydrophobicContact CE1-CD2 4.3Å; Y418-L422 VanDerWaalsContact O-CB 3.31Å; Y418-L422 WeakPolarHBondContact O-CB 3.3Å; Y418-L422 PolarHBondContact O-N 2.82Å; Y418-E516 HydrophobicContact CD1-CG 4.28Å; Y418-E516 HydrophobicContact CE1-CG 4.29Å; Y418-E519 WeakPolarHBondContact CE1-OE1 3.36Å; Y418-E519 PolarHBondContact OH-OE1 2.73Å; Y418-E519 PolarHBondContact OH-OE2 3.08Å
419S92.8Very high91.4Very high0 Ų025.8 Ų25.80%012%0.12CC..Hα-helixtrans-57.1-42.7178.9-58.50000111.8R415 L416 L423R415-S419 WeakPolarHBondContact O-CB 3.24Å; R415-S419 PolarHBondContact O-N 3.32Å; R415-S419 PolarHBondContact O-OG 2.76Å; L416-S419 PolarHBondContact O-N 3.13Å; S419-L423 VanDerWaalsContact O-CG 3.29Å; S419-L423 WeakPolarHBondContact O-CG 3.23Å; S419-L423 PolarHBondContact O-N 3.1Å
420H93.2Very high90.6Very high32 Ų3227.2 Ų27.215%0.14813%0.126CC..Hα-helixtrans-64.2-48.2178-178.6-113.1000112.4L416 R417 Y418 K424 I451 S452 Y455L416-H420 WeakPolarHBondContact O-CB 3.4Å; L416-H420 PolarHBondContact O-N 3.15Å; R417-H420 PolarHBondContact O-N 3.48Å; Y418-H420 VanDerWaalsContact C-N 3.29Å; Y418-H420 PolarHBondContact O-N 2.95Å; H420-K424 WeakPolarHBondContact O-CB 3.28Å; H420-K424 PolarHBondContact O-N 2.85Å; H420-K424 VanDerWaalsContact O-N 3.1Å; H420-I451 HydrophobicContact CB-CG2 3.82Å; H420-S452 PolarHBondContact CD2-OG 3.33Å; H420-S452 PolarHBondContact NE2-OG 3.18Å; H420-Y455 HydrophobicContact CB-CD2 4.35Å; H420-Y455 HydrophobicContact CB-CG 4.43Å
421C92.5Very high89.7Confident19 Ų1930.6 Ų30.613%0.12815%0.15CC..Hα-helixtrans-65.3-40.1177.5-730000112.3V323 L327 R417 Y418 K424 R425V323-C421 HydrophobicContact CG1-CB 3.6Å; L327-C421 HydrophobicContact CD1-CB 3.79Å; R417-C421 WeakPolarHBondContact O-CB 3.21Å; R417-C421 PolarHBondContact O-N 2.94Å; R417-C421 PolarHBondContact O-SG 3.47Å; Y418-C421 PolarHBondContact O-N 3.32Å; C421-K424 PolarHBondContact O-N 3.38Å; C421-R425 WeakPolarHBondContact O-CG 3.46Å; C421-R425 PolarHBondContact O-N 2.85Å
422L91.8Very high89Confident8 Ų838 Ų384%0.04218%0.182CC..Hα-helixtrans-58.9-52.8176.4173.559.1000111.4L327 Y418 K424 R425 L426 C515 E519L327-L422 HydrophobicContact CD2-CB 3.96Å; L327-L422 HydrophobicContact CD2-CD1 4.01Å; L327-L422 HydrophobicContact CD2-CG 4.49Å; Y418-L422 HydrophobicContact CE1-CD2 4.3Å; Y418-L422 VanDerWaalsContact O-CB 3.31Å; Y418-L422 WeakPolarHBondContact O-CB 3.3Å; Y418-L422 PolarHBondContact O-N 2.82Å; L422-K424 VanDerWaalsContact C-N 3.27Å; L422-K424 PolarHBondContact O-N 3.17Å; L422-R425 WeakPolarHBondContact O-CB 3.34Å; L422-R425 PolarHBondContact O-N 3.49Å; L422-L426 HydrophobicContact CD1-CD1 3.97Å; L422-L426 HydrophobicContact CD1-CG 4Å; L422-L426 HydrophobicContact CG-CD1 4.01Å; L422-L426 HydrophobicContact CG-CG 4.43Å; L422-L426 WeakPolarHBondContact O-CG 3.31Å; L422-L426 PolarHBondContact O-N 2.95Å; L422-C515 WeakPolarHBondContact CD2-O 3.26Å; L422-E519 HydrophobicContact CD1-CG 3.57Å; L422-E519 HydrophobicContact CD2-CG 3.46Å; L422-E519 VanDerWaalsContact CD2-CG 3.46Å; L422-E519 HydrophobicContact CG-CG 4.16Å
423L91.4Very high87.7Confident1 Ų143.5 Ų43.51%0.00521%0.212CC..Hα-helixtrans-60.7-38.1179.6-70.8173.3000112S419 R425 L426 W427 L444 L447 H448 I451 L518S419-L423 VanDerWaalsContact O-CG 3.29Å; S419-L423 WeakPolarHBondContact O-CG 3.23Å; S419-L423 PolarHBondContact O-N 3.1Å; L423-R425 PolarHBondContact O-N 2.91Å; L423-L426 PolarHBondContact O-N 3.36Å; L423-W427 VanDerWaalsContact O-CB 3.23Å; L423-W427 WeakPolarHBondContact O-CB 3.5Å; L423-W427 PolarHBondContact O-N 3.35Å; L423-L444 HydrophobicContact CD2-CD2 4.43Å; L423-L447 HydrophobicContact CD1-CD2 4.42Å; L423-L447 HydrophobicContact CD1-CG 3.88Å; L423-L447 HydrophobicContact CD2-CD2 3.75Å; L423-L447 HydrophobicContact CD2-CG 4.02Å; L423-H448 HydrophobicContact CB-CB 4.44Å; L423-I451 HydrophobicContact CD1-CB 3.75Å; L423-I451 HydrophobicContact CD1-CG1 3.65Å; L423-I451 HydrophobicContact CD1-CG2 4.08Å; L423-L518 HydrophobicContact CD2-CD1 3.81Å
424K89.5Confident86Confident117 Ų11746.5 Ų46.551%0.50924%0.238SC..Hα-helixtrans-61.3-42.1174-176.3179.8178.7-177.70112H420 C421 L422 L428H420-K424 WeakPolarHBondContact O-CB 3.28Å; H420-K424 PolarHBondContact O-N 2.85Å; H420-K424 VanDerWaalsContact O-N 3.1Å; C421-K424 PolarHBondContact O-N 3.38Å; L422-K424 VanDerWaalsContact C-N 3.27Å; L422-K424 PolarHBondContact O-N 3.17Å; K424-L428 HydrophobicContact CG-CD1 4.39Å; K424-L428 WeakPolarHBondContact O-CB 3.33Å; K424-L428 VanDerWaalsContact O-CG 3.28Å; K424-L428 WeakPolarHBondContact O-CG 3.4Å; K424-L428 PolarHBondContact O-N 3.24Å; K424-L428 VanDerWaalsContact O-N 3.11Å
425R89.2Confident84.2Confident76 Ų7652.8 Ų52.829%0.28728%0.279SS..Hα-helixtrans-67.3-44.3176.7-71.8-178179.5-154.2-5.5112D324 D328 C421 L422 L423 L428 S429D324-R425 VanDerWaalsContact CA-NH2 3.26Å; D324-R425 PolarHBondContact O-NH2 3.12Å; D324-R425 IonicContact OD1-CZ 3.91Å; D324-R425 IonicContact OD1-NE 2.67Å; D324-R425 IonicContact OD1-NH2 3.61Å; D324-R425 PolarHBondContact OD1-NH2 3.26Å; D328-R425 IonicContact OD1-CZ 3.63Å; D328-R425 IonicContact OD1-NH1 3.36Å; D328-R425 PolarHBondContact OD1-NH1 3.06Å; D328-R425 IonicContact OD1-NH2 3.84Å; D328-R425 IonicContact OD2-NH1 2.59Å; D328-R425 IonicContact OD2-NH2 3.71Å; C421-R425 WeakPolarHBondContact O-CG 3.46Å; C421-R425 PolarHBondContact O-N 2.85Å; L422-R425 WeakPolarHBondContact O-CB 3.34Å; L422-R425 PolarHBondContact O-N 3.49Å; L423-R425 PolarHBondContact O-N 2.91Å; R425-L428 PolarHBondContact O-N 3.33Å; R425-S429 PolarHBondContact O-N 3.04Å
426L87.3Confident82.6Confident24 Ų2453.7 Ų53.713%0.12629%0.288CS..Hα-helixtrans-62.7-42176.6-69.6176000111.8L422 L423 L428 S429 Q430 L518 F523L422-L426 HydrophobicContact CD1-CD1 3.97Å; L422-L426 HydrophobicContact CD1-CG 4Å; L422-L426 HydrophobicContact CG-CD1 4.01Å; L422-L426 HydrophobicContact CG-CG 4.43Å; L422-L426 WeakPolarHBondContact O-CG 3.31Å; L422-L426 PolarHBondContact O-N 2.95Å; L423-L426 PolarHBondContact O-N 3.36Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L426-L428 PolarHBondContact O-N 3.04Å; L426-S429 PolarHBondContact O-N 3.38Å; L426-S429 PolarHBondContact O-OG 3.47Å; L426-Q430 WeakPolarHBondContact O-CB 3.42Å; L426-Q430 VanDerWaalsContact O-CG 3.28Å; L426-Q430 WeakPolarHBondContact O-CG 3.29Å; L426-Q430 PolarHBondContact O-N 3.08Å; L426-L518 HydrophobicContact CD1-CB 3.73Å; L426-L518 HydrophobicContact CD1-CD1 4.43Å; L426-F523 HydrophobicContact CD1-CZ 4.25Å; L426-F523 HydrophobicContact CD2-CE2 4.09Å
427W85.6Confident81.5Confident83 Ų8357.9 Ų57.931%0.31431%0.31SS..Hα-helixtrans-61.2-43.2175.4-173.192.2000111.7L423 S431 F441 N445L423-W427 VanDerWaalsContact O-CB 3.23Å; L423-W427 WeakPolarHBondContact O-CB 3.5Å; L423-W427 PolarHBondContact O-N 3.35Å; W427-S431 WeakPolarHBondContact O-CB 3.49Å; W427-S431 PolarHBondContact O-N 3.1Å; W427-F441 AromaticContact CE2-CZ 3.92Å; W427-F441 AromaticContact CZ2-CZ 4Å; W427-F441 HydrophobicContact CZ2-CZ 4Å; W427-F441 AromaticContact NE1-CE2 3.7Å; W427-F441 AromaticContact NE1-CZ 3.56Å; W427-N445 PolarHBondContact NE1-OD1 2.98Å
428L85.6Confident80.7Confident78 Ų7866.4 Ų66.441%0.40834%0.342SS..Hα-helixtrans-67.3-35.9176.9-74.4169.6000113.3K424 R425 L426 K432K424-L428 HydrophobicContact CG-CD1 4.39Å; K424-L428 WeakPolarHBondContact O-CB 3.33Å; K424-L428 VanDerWaalsContact O-CG 3.28Å; K424-L428 WeakPolarHBondContact O-CG 3.4Å; K424-L428 PolarHBondContact O-N 3.24Å; K424-L428 VanDerWaalsContact O-N 3.11Å; R425-L428 PolarHBondContact O-N 3.33Å; L426-L428 VanDerWaalsContact C-N 3.34Å; L426-L428 PolarHBondContact O-N 3.04Å; L428-K432 WeakPolarHBondContact O-CG 3.36Å; L428-K432 PolarHBondContact O-N 3.18Å
429S83.7Confident80Confident44 Ų4470.6 Ų70.631%0.30836%0.364SS..Hα-helixtrans-70.9-43.8178.167.60000111.3R425 L426 S431 K432 N433R425-S429 PolarHBondContact O-N 3.04Å; L426-S429 PolarHBondContact O-N 3.38Å; L426-S429 PolarHBondContact O-OG 3.47Å; S429-S431 PolarHBondContact O-N 2.71Å; S429-K432 PolarHBondContact O-N 2.84Å; S429-N433 PolarHBondContact O-N 2.88Å; S429-N433 VanDerWaalsContact O-N 3.15Å
430Q78.3Confident79.5Confident29 Ų2970.7 Ų70.714%0.13636%0.364CS..Hα-helixtrans-65.5-37.3176.5-67.9-64.9-16.500112.1L426 K432 S436 L444 F523L426-Q430 WeakPolarHBondContact O-CB 3.42Å; L426-Q430 VanDerWaalsContact O-CG 3.28Å; L426-Q430 WeakPolarHBondContact O-CG 3.29Å; L426-Q430 PolarHBondContact O-N 3.08Å; Q430-K432 PolarHBondContact O-N 3.14Å; Q430-S436 VanDerWaalsContact OE1-CB 3.27Å; Q430-S436 PolarHBondContact OE1-OG 2.88Å; Q430-L444 HydrophobicContact CB-CD1 4.27Å; Q430-L444 HydrophobicContact CG-CD1 3.7Å; Q430-F523 VanDerWaalsContact NE2-CD2 3.31Å
431S76Confident78.9Confident72 Ų7272.4 Ų72.450%0.50337%0.371SS..Hα-helixtrans-65-24.3175.3-179.60000113.8W427 S429W427-S431 WeakPolarHBondContact O-CB 3.49Å; W427-S431 PolarHBondContact O-N 3.1Å; S429-S431 PolarHBondContact O-N 2.71Å
432K77.5Confident78.5Confident166 Ų16673.2 Ų73.272%0.72238%0.377SS*.Hα-helixtrans-90.3-32.9-179.6-73.5177.2-179.2179.30112.9L428 S429 Q430 A434L428-K432 WeakPolarHBondContact O-CG 3.36Å; L428-K432 PolarHBondContact O-N 3.18Å; S429-K432 PolarHBondContact O-N 2.84Å; Q430-K432 PolarHBondContact O-N 3.14Å; K432-A434 PolarHBondContact O-N 3.28Å
433N65.1Low78.2Confident119 Ų11972.9 Ų72.964%0.63638%0.376SS*.SBendtrans-95.865.8-170.8-69.2-21.9000112S429S429-N433 PolarHBondContact O-N 2.88Å; S429-N433 VanDerWaalsContact O-N 3.15Å
434A58.1Low78Confident72 Ų7273 Ų7360%0.59538%0.376SS*.SBendtrans58.8160-177.800000113K432 S436K432-A434 PolarHBondContact O-N 3.28Å; A434-S436 PolarHBondContact O-N 3.34Å
435P56.2Low77.8Confident133 Ų13370.2 Ų70.286%0.86437%0.367SS*.  trans-68.890.3173.928.3-31.7000108
436S59.1Low77.7Confident31 Ų3167.8 Ų67.822%0.21736%0.36CS..  trans-52.5149.9160.833.30000108.9Q430 A434 R438Q430-S436 VanDerWaalsContact OE1-CB 3.27Å; Q430-S436 PolarHBondContact OE1-OG 2.88Å; A434-S436 PolarHBondContact O-N 3.34Å; S436-R438 PolarHBondContact O-N 2.89Å
437D70Confident77.7Confident87 Ų8766.6 Ų66.647%0.46535%0.354SS..  trans-36.6134.4-172.6-173.95.5000112.2I439 T440 F441D437-I439 PolarHBondContact O-N 3.43Å; D437-I439 PolarHBondContact OD1-N 2.93Å; D437-T440 WeakPolarHBondContact O-CB 3.46Å; D437-T440 PolarHBondContact O-N 3.17Å; D437-F441 PolarHBondContact O-N 2.79Å; D437-F441 VanDerWaalsContact O-N 3.1Å
438R77.2Confident77.9Confident202 Ų20265 Ų6576%0.76235%0.35SS*.Hα-helixtrans-50.8-32.9-179.9-74.1-174.1179.7-171.71.3111.1S436 S442S436-R438 PolarHBondContact O-N 2.89Å; R438-S442 WeakPolarHBondContact O-CB 3.29Å; R438-S442 PolarHBondContact O-N 3.01Å
439I79.9Confident78Confident90 Ų9065.6 Ų65.646%0.46235%0.349SS..Hα-helixtrans-63.7-47.2178-57.6177.6000111.2D437 S442 F443 I529 W533D437-I439 PolarHBondContact O-N 3.43Å; D437-I439 PolarHBondContact OD1-N 2.93Å; I439-S442 PolarHBondContact O-N 3.11Å; I439-F443 WeakPolarHBondContact O-CB 3.42Å; I439-F443 PolarHBondContact O-N 3.23Å; I439-I529 HydrophobicContact CG2-CG2 3.95Å; I439-W533 PolarHBondContact O-NE1 3.15Å
440T81.7Confident78.3Confident1 Ų163.6 Ų63.61%0.00634%0.335CS..Hα-helixtrans-62.6-45.8177.2-530000111.6D437 S442 F443 L444 F523 I529D437-T440 WeakPolarHBondContact O-CB 3.46Å; D437-T440 PolarHBondContact O-N 3.17Å; T440-S442 VanDerWaalsContact C-N 3.32Å; T440-S442 PolarHBondContact O-N 3.08Å; T440-F443 WeakPolarHBondContact O-CB 3.39Å; T440-F443 PolarHBondContact O-N 2.97Å; T440-L444 HydrophobicContact CG2-CD1 4.45Å; T440-L444 PolarHBondContact O-N 2.84Å; T440-F523 HydrophobicContact CG2-CB 4.07Å; T440-F523 HydrophobicContact CG2-CD1 3.5Å; T440-F523 HydrophobicContact CG2-CE1 4.31Å; T440-F523 HydrophobicContact CG2-CG 4.11Å; T440-I529 HydrophobicContact CG2-CD1 4.29Å; T440-I529 WeakPolarHBondContact OG1-CD1 3.23Å
441F81.2Confident78.9Confident68 Ų6862.2 Ų62.230%0.29833%0.329SS..Hα-helixtrans-65.8-39.2179.2-165.1-104.9000111.4W427 D437 L444 N445W427-F441 AromaticContact CE2-CZ 3.92Å; W427-F441 AromaticContact CZ2-CZ 4Å; W427-F441 HydrophobicContact CZ2-CZ 4Å; W427-F441 AromaticContact NE1-CE2 3.7Å; W427-F441 AromaticContact NE1-CZ 3.56Å; D437-F441 PolarHBondContact O-N 2.79Å; D437-F441 VanDerWaalsContact O-N 3.1Å; F441-L444 PolarHBondContact O-N 2.89Å; F441-N445 WeakPolarHBondContact CD1-ND2 3.37Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.26Å; F441-N445 WeakPolarHBondContact O-CB 2.97Å; F441-N445 PolarHBondContact O-N 3.13Å; F441-N445 PolarHBondContact O-ND2 2.76Å
442S84Confident79.6Confident37 Ų3759.5 Ų59.526%0.25931%0.31SS..Hα-helixtrans-62.8-44.4174.3-167.90000111.9R438 I439 T440 L444 N445 V446R438-S442 WeakPolarHBondContact O-CB 3.29Å; R438-S442 PolarHBondContact O-N 3.01Å; I439-S442 PolarHBondContact O-N 3.11Å; T440-S442 VanDerWaalsContact C-N 3.32Å; T440-S442 PolarHBondContact O-N 3.08Å; S442-L444 PolarHBondContact O-N 3.4Å; S442-N445 PolarHBondContact O-N 2.89Å; S442-V446 WeakPolarHBondContact O-CG2 3.31Å; S442-V446 PolarHBondContact O-N 2.83Å
443F86.2Confident80.2Confident1 Ų152.3 Ų52.30%0.00428%0.28CS..Hα-helixtrans-54.7-54.3174.5178.1-108.2000111.7I439 T440 N445 V446 L447 L518 A532 W533 L536I439-F443 WeakPolarHBondContact O-CB 3.42Å; I439-F443 PolarHBondContact O-N 3.23Å; T440-F443 WeakPolarHBondContact O-CB 3.39Å; T440-F443 PolarHBondContact O-N 2.97Å; F443-N445 VanDerWaalsContact C-N 3.33Å; F443-N445 PolarHBondContact O-N 3.29Å; F443-V446 PolarHBondContact O-N 3.39Å; F443-L447 HydrophobicContact CE1-CD2 4.08Å; F443-L447 HydrophobicContact CZ-CD2 3.97Å; F443-L447 WeakPolarHBondContact O-CB 3.36Å; F443-L447 PolarHBondContact O-N 2.96Å; F443-L518 HydrophobicContact CE1-CD1 4.06Å; F443-L518 HydrophobicContact CE1-CD2 3.99Å; F443-A532 HydrophobicContact CE1-CB 4.43Å; F443-A532 HydrophobicContact CE2-CB 4.01Å; F443-A532 HydrophobicContact CZ-CB 3.8Å; F443-W533 HydrophobicContact CB-CZ2 4.17Å; F443-W533 AromaticContact CD2-CD1 3.92Å; F443-W533 AromaticContact CD2-CD2 3.86Å; F443-W533 HydrophobicContact CD2-CD2 3.86Å; F443-W533 AromaticContact CD2-CE2 3.94Å; F443-W533 HydrophobicContact CD2-CE3 4.44Å; F443-W533 AromaticContact CD2-CG 3.89Å; F443-W533 HydrophobicContact CD2-CG 3.89Å; F443-W533 AromaticContact CD2-NE1 3.98Å; F443-L536 HydrophobicContact CD2-CD2 4.12Å; F443-L536 HydrophobicContact CE2-CB 4.19Å; F443-L536 HydrophobicContact CE2-CD2 3.79Å
444L86Confident81.4Confident2 Ų246.9 Ų46.91%0.0125%0.251CS..Hα-helixtrans-63.2-38.9-178.4-72.8174.9000112.1L423 Q430 T440 F441 S442 H448 L518 F523L423-L444 HydrophobicContact CD2-CD2 4.43Å; Q430-L444 HydrophobicContact CB-CD1 4.27Å; Q430-L444 HydrophobicContact CG-CD1 3.7Å; T440-L444 HydrophobicContact CG2-CD1 4.45Å; T440-L444 PolarHBondContact O-N 2.84Å; F441-L444 PolarHBondContact O-N 2.89Å; S442-L444 PolarHBondContact O-N 3.4Å; L444-H448 WeakPolarHBondContact O-CB 3.44Å; L444-H448 PolarHBondContact O-N 3.09Å; L444-L518 HydrophobicContact CD2-CD1 4.4Å; L444-F523 HydrophobicContact CD1-CE1 4.24Å; L444-F523 HydrophobicContact CD1-CZ 4.49Å; L444-F523 HydrophobicContact CD2-CE1 3.98Å; L444-F523 HydrophobicContact CD2-CZ 4.07Å; L444-F523 HydrophobicContact CG-CE1 4.27Å
445N86.1Confident83Confident60 Ų6045.6 Ų45.632%0.32123%0.231SC..Hα-helixtrans-62.4-44.6176.3-74.6-32.2000112W427 F441 S442 F443 F449W427-N445 PolarHBondContact NE1-OD1 2.98Å; F441-N445 WeakPolarHBondContact CD1-ND2 3.37Å; F441-N445 WeakPolarHBondContact CE1-ND2 3.26Å; F441-N445 WeakPolarHBondContact O-CB 2.97Å; F441-N445 PolarHBondContact O-N 3.13Å; F441-N445 PolarHBondContact O-ND2 2.76Å; S442-N445 PolarHBondContact O-N 2.89Å; F443-N445 VanDerWaalsContact C-N 3.33Å; F443-N445 PolarHBondContact O-N 3.29Å; N445-F449 VanDerWaalsContact O-CB 3.26Å; N445-F449 WeakPolarHBondContact O-CB 3.24Å; N445-F449 PolarHBondContact O-N 3.2Å
446V86.5Confident84.6Confident24 Ų2443.6 Ų43.615%0.14521%0.213CC..Hα-helixtrans-66.8-46.5179.9172.30000110.6S442 F443 F449 I450 W533 L536 F567S442-V446 WeakPolarHBondContact O-CG2 3.31Å; S442-V446 PolarHBondContact O-N 2.83Å; F443-V446 PolarHBondContact O-N 3.39Å; V446-F449 WeakPolarHBondContact O-CB 3.36Å; V446-F449 PolarHBondContact O-N 3.37Å; V446-I450 HydrophobicContact CG1-CD1 3.92Å; V446-I450 WeakPolarHBondContact O-CD1 3.46Å; V446-I450 VanDerWaalsContact O-CG1 3.28Å; V446-I450 WeakPolarHBondContact O-CG1 3.37Å; V446-I450 PolarHBondContact O-N 2.78Å; V446-W533 HydrophobicContact CB-CH2 4.1Å; V446-W533 HydrophobicContact CG1-CH2 4.31Å; V446-W533 HydrophobicContact CG2-CH2 3.92Å; V446-L536 HydrophobicContact CG1-CD2 4.22Å; V446-F567 HydrophobicContact CG1-CE1 4.41Å; V446-F567 HydrophobicContact CG1-CZ 3.88Å
447L88.2Confident86Confident0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-65.5-42.9179.4-173.858.4000112.2L423 F443 F449 I450 I451 L511 L518 L536L423-L447 HydrophobicContact CD1-CD2 4.42Å; L423-L447 HydrophobicContact CD1-CG 3.88Å; L423-L447 HydrophobicContact CD2-CD2 3.75Å; L423-L447 HydrophobicContact CD2-CG 4.02Å; F443-L447 HydrophobicContact CE1-CD2 4.08Å; F443-L447 HydrophobicContact CZ-CD2 3.97Å; F443-L447 WeakPolarHBondContact O-CB 3.36Å; F443-L447 PolarHBondContact O-N 2.96Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 2.94Å; L447-I450 PolarHBondContact O-N 2.74Å; L447-I451 HydrophobicContact CD1-CG1 4.42Å; L447-I451 PolarHBondContact O-N 3.32Å; L447-L511 HydrophobicContact CD1-CD1 3.96Å; L447-L511 HydrophobicContact CD1-CG 4.46Å; L447-L518 HydrophobicContact CD2-CD1 3.5Å; L447-L536 HydrophobicContact CB-CD2 4.41Å; L447-L536 HydrophobicContact CD1-CD1 4Å
448H88.3Confident87Confident50 Ų5039.1 Ų39.123%0.23119%0.185CC..Hα-helixtrans-59.8-45173.5-179.6-83.2000111L423 L444 I450 I451 S452L423-H448 HydrophobicContact CB-CB 4.44Å; L444-H448 WeakPolarHBondContact O-CB 3.44Å; L444-H448 PolarHBondContact O-N 3.09Å; H448-I450 PolarHBondContact O-N 3.31Å; H448-I451 PolarHBondContact O-N 2.85Å; H448-S452 PolarHBondContact CE1-OG 3.43Å; H448-S452 PolarHBondContact ND1-OG 3.3Å; H448-S452 VanDerWaalsContact O-CB 3.24Å; H448-S452 WeakPolarHBondContact O-CB 3.33Å; H448-S452 PolarHBondContact O-N 3.26Å; H448-S452 PolarHBondContact O-OG 3.11Å; H448-S452 VanDerWaalsContact O-OG 3.04Å
449F88.7Confident87.6Confident89 Ų8931.2 Ų31.239%0.3916%0.163SC..Hα-helixtrans-58-45.6176171.9-101.6000112.3N445 V446 L447 T453N445-F449 VanDerWaalsContact O-CB 3.26Å; N445-F449 WeakPolarHBondContact O-CB 3.24Å; N445-F449 PolarHBondContact O-N 3.2Å; V446-F449 WeakPolarHBondContact O-CB 3.36Å; V446-F449 PolarHBondContact O-N 3.37Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 2.94Å; F449-T453 VanDerWaalsContact O-CB 3.32Å; F449-T453 WeakPolarHBondContact O-CB 3.38Å; F449-T453 PolarHBondContact O-N 2.86Å; F449-T453 PolarHBondContact O-OG1 3.16Å
450I89.5Confident88.1Confident2 Ų230.7 Ų30.71%0.0116%0.161CC..Hα-helixtrans-62.3-51179.6-64159.6000110.5V446 L447 H448 T453 L454 L511 L536 M540 L561 F567V446-I450 HydrophobicContact CG1-CD1 3.92Å; V446-I450 WeakPolarHBondContact O-CD1 3.46Å; V446-I450 VanDerWaalsContact O-CG1 3.28Å; V446-I450 WeakPolarHBondContact O-CG1 3.37Å; V446-I450 PolarHBondContact O-N 2.78Å; L447-I450 PolarHBondContact O-N 2.74Å; H448-I450 PolarHBondContact O-N 3.31Å; I450-T453 PolarHBondContact O-N 3.03Å; I450-L454 HydrophobicContact CG2-CD1 4.19Å; I450-L454 WeakPolarHBondContact O-CG 3.22Å; I450-L454 PolarHBondContact O-N 3.41Å; I450-L511 HydrophobicContact CG2-CD1 4.31Å; I450-L511 HydrophobicContact CG2-CD2 3.57Å; I450-L536 HydrophobicContact CD1-CD1 4.04Å; I450-M540 HydrophobicContact CD1-CE 4.2Å; I450-M540 HydrophobicContact CD1-CG 4.05Å; I450-M540 HydrophobicContact CD1-SD 3.7Å; I450-M540 HydrophobicContact CG1-CE 4.36Å; I450-M540 HydrophobicContact CG1-SD 4.33Å; I450-M540 HydrophobicContact CG2-SD 4.2Å; I450-L561 HydrophobicContact CB-CD2 4.25Å; I450-L561 HydrophobicContact CG1-CD2 4.32Å; I450-L561 HydrophobicContact CG2-CD2 3.96Å; I450-F567 HydrophobicContact CD1-CE1 4.44Å; I450-F567 HydrophobicContact CD1-CZ 3.92Å; I450-F567 HydrophobicContact CG1-CZ 4.1Å
451I91.4Very high88.5Confident0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-68-40.6-177.4-69.1-70.7000111.9L416 H420 L423 L447 H448 T453 L454 Y455 L511 M512L416-I451 HydrophobicContact CD1-CD1 3.98Å; L416-I451 HydrophobicContact CD1-CG2 4.04Å; H420-I451 HydrophobicContact CB-CG2 3.82Å; L423-I451 HydrophobicContact CD1-CB 3.75Å; L423-I451 HydrophobicContact CD1-CG1 3.65Å; L423-I451 HydrophobicContact CD1-CG2 4.08Å; L447-I451 HydrophobicContact CD1-CG1 4.42Å; L447-I451 PolarHBondContact O-N 3.32Å; H448-I451 PolarHBondContact O-N 2.85Å; I451-T453 VanDerWaalsContact C-N 3.31Å; I451-T453 PolarHBondContact O-N 3.2Å; I451-L454 HydrophobicContact CD1-CD1 4.3Å; I451-L454 PolarHBondContact O-N 2.93Å; I451-Y455 WeakPolarHBondContact O-CB 3.49Å; I451-Y455 PolarHBondContact O-N 3.02Å; I451-L511 HydrophobicContact CD1-CD2 3.45Å; I451-L511 VanDerWaalsContact CD1-CD2 3.45Å; I451-L511 HydrophobicContact CD1-CG 3.95Å; I451-L511 HydrophobicContact CG1-CD2 4.19Å; I451-M512 HydrophobicContact CD1-CG 4.47Å
452S91Very high89Confident16 Ų1628.5 Ų28.511%0.11215%0.153CC..Hα-helixtrans-61.7-40.8173.8-67.10000111.5H420 H448 L454 Y455 D456H420-S452 PolarHBondContact CD2-OG 3.33Å; H420-S452 PolarHBondContact NE2-OG 3.18Å; H448-S452 PolarHBondContact CE1-OG 3.43Å; H448-S452 PolarHBondContact ND1-OG 3.3Å; H448-S452 VanDerWaalsContact O-CB 3.24Å; H448-S452 WeakPolarHBondContact O-CB 3.33Å; H448-S452 PolarHBondContact O-N 3.26Å; H448-S452 PolarHBondContact O-OG 3.11Å; H448-S452 VanDerWaalsContact O-OG 3.04Å; S452-L454 PolarHBondContact O-N 3.45Å; S452-Y455 PolarHBondContact O-N 3.22Å; S452-D456 WeakPolarHBondContact O-CB 3.33Å; S452-D456 PolarHBondContact O-N 2.88Å
453T90.1Very high89.4Confident15 Ų1534 Ų349%0.09217%0.168CC..Hα-helixtrans-63-42.9176.3-58.10000111.6F449 I450 I451 Y457 L557 M560 L561F449-T453 VanDerWaalsContact O-CB 3.32Å; F449-T453 WeakPolarHBondContact O-CB 3.38Å; F449-T453 PolarHBondContact O-N 2.86Å; F449-T453 PolarHBondContact O-OG1 3.16Å; I450-T453 PolarHBondContact O-N 3.03Å; I451-T453 VanDerWaalsContact C-N 3.31Å; I451-T453 PolarHBondContact O-N 3.2Å; T453-Y457 WeakPolarHBondContact O-CB 3.44Å; T453-Y457 PolarHBondContact O-N 3.06Å; T453-L557 HydrophobicContact CG2-CD1 4.23Å; T453-M560 HydrophobicContact CG2-CB 3.52Å; T453-M560 HydrophobicContact CG2-CE 4.38Å; T453-L561 HydrophobicContact CG2-CD2 3.86Å; T453-L561 HydrophobicContact CG2-CG 4.11Å
454L90.7Very high89.6Confident4 Ų439.4 Ų39.42%0.02119%0.193CC..Hα-helixtrans-62-43.5174-74.4167.4000111.5L416 I450 I451 S452 Y457 Q458 L511 L557L416-L454 HydrophobicContact CD1-CB 4.19Å; L416-L454 HydrophobicContact CD2-CB 4.13Å; I450-L454 HydrophobicContact CG2-CD1 4.19Å; I450-L454 WeakPolarHBondContact O-CG 3.22Å; I450-L454 PolarHBondContact O-N 3.41Å; I451-L454 HydrophobicContact CD1-CD1 4.3Å; I451-L454 PolarHBondContact O-N 2.93Å; S452-L454 PolarHBondContact O-N 3.45Å; L454-Y457 PolarHBondContact O-N 3.23Å; L454-Q458 VanDerWaalsContact O-CG 3.26Å; L454-Q458 WeakPolarHBondContact O-CG 3.37Å; L454-Q458 PolarHBondContact O-N 3.38Å; L454-L511 HydrophobicContact CD1-CD2 3.46Å; L454-L511 VanDerWaalsContact CD1-CD2 3.46Å; L454-L557 HydrophobicContact CD2-CD1 3.77Å; L454-L557 HydrophobicContact CD2-CD2 3.54Å; L454-L557 HydrophobicContact CD2-CG 4.26Å; L454-L557 HydrophobicContact CG-CD1 4.44Å
455Y91.2Very high89.9Confident46 Ų4640.3 Ų40.318%0.1820%0.197CC..Hα-helixtrans-63.5-44.6-180-178.2-97.4000111.6L416 R417 H420 I451 S452 Q458 A459L416-Y455 HydrophobicContact CD2-CD2 4.38Å; L416-Y455 HydrophobicContact CG-CD2 4.4Å; R417-Y455 HydrophobicContact CB-CE2 4.03Å; R417-Y455 HydrophobicContact CG-CE2 4.13Å; R417-Y455 PolarHBondContact NE-OH 2.9Å; R417-Y455 VanDerWaalsContact NE-OH 3.12Å; R417-Y455 PolarHBondContact NH2-OH 2.89Å; H420-Y455 HydrophobicContact CB-CD2 4.35Å; H420-Y455 HydrophobicContact CB-CG 4.43Å; I451-Y455 WeakPolarHBondContact O-CB 3.49Å; I451-Y455 PolarHBondContact O-N 3.02Å; S452-Y455 PolarHBondContact O-N 3.22Å; Y455-Q458 PolarHBondContact O-N 3.23Å; Y455-A459 WeakPolarHBondContact O-CB 3.38Å; Y455-A459 PolarHBondContact O-N 3.21Å
456D89Confident90.1Very high91 Ų9137.9 Ų37.949%0.48719%0.185SC..Hα-helixtrans-67.5-40.2177.6-72-21.1000112.2S452 Q458 A459 N460S452-D456 WeakPolarHBondContact O-CB 3.33Å; S452-D456 PolarHBondContact O-N 2.88Å; D456-Q458 PolarHBondContact O-N 3.36Å; D456-A459 PolarHBondContact O-N 3.33Å; D456-N460 PolarHBondContact O-N 3.33Å; D456-N460 VanDerWaalsContact O-N 3.12Å; D456-N460 PolarHBondContact O-ND2 3.33Å
457Y89.6Confident90.3Very high18 Ų1842.3 Ų42.37%0.07120%0.204CC..Hα-helixtrans-56.4-51.5172.9178-106.6000110.9T453 L454 A459 N460 V461 F498 Q556 L557 M560T453-Y457 WeakPolarHBondContact O-CB 3.44Å; T453-Y457 PolarHBondContact O-N 3.06Å; L454-Y457 PolarHBondContact O-N 3.23Å; Y457-A459 PolarHBondContact O-N 3.48Å; Y457-N460 WeakPolarHBondContact O-CB 3.42Å; Y457-N460 PolarHBondContact O-N 2.97Å; Y457-N460 VanDerWaalsContact O-N 3.16Å; Y457-V461 HydrophobicContact CD1-CG2 4.14Å; Y457-V461 HydrophobicContact CD2-CG2 4.41Å; Y457-V461 HydrophobicContact CE1-CG2 3.68Å; Y457-V461 HydrophobicContact CE2-CG2 4.01Å; Y457-V461 HydrophobicContact CG-CG2 4.49Å; Y457-V461 WeakPolarHBondContact O-CG2 3.39Å; Y457-V461 PolarHBondContact O-N 2.82Å; Y457-F498 HydrophobicContact CD1-CE2 4.13Å; Y457-F498 AromaticContact CE1-CE2 3.46Å; Y457-F498 HydrophobicContact CE1-CE2 3.46Å; Y457-F498 VanDerWaalsContact CE1-CE2 3.46Å; Y457-F498 AromaticContact CE1-CZ 3.63Å; Y457-F498 HydrophobicContact CE1-CZ 3.63Å; Y457-F498 AromaticContact CZ-CZ 3.89Å; Y457-Q556 HydrophobicContact CE2-CB 4.28Å; Y457-L557 HydrophobicContact CD2-CB 4.44Å; Y457-L557 HydrophobicContact CE2-CB 4.49Å; Y457-L557 HydrophobicContact CG-CD1 4.31Å; Y457-M560 HydrophobicContact CD2-CE 3.46Å; Y457-M560 VanDerWaalsContact CD2-CE 3.46Å; Y457-M560 HydrophobicContact CE2-CE 4.48Å; Y457-M560 HydrophobicContact CG-CE 3.93Å
458Q90Very high90.4Very high6 Ų645.6 Ų45.63%0.02822%0.222CC..Hα-helixtrans-64.7-40.9-178.2-70.2178.514.400112.1F412 L416 L454 Y455 D456 N460 V461 I462 L497F412-Q458 HydrophobicContact CE1-CG 4.35Å; L416-Q458 HydrophobicContact CD2-CG 4.25Å; L416-Q458 VanDerWaalsContact CD2-NE2 3.29Å; L454-Q458 VanDerWaalsContact O-CG 3.26Å; L454-Q458 WeakPolarHBondContact O-CG 3.37Å; L454-Q458 PolarHBondContact O-N 3.38Å; Y455-Q458 PolarHBondContact O-N 3.23Å; D456-Q458 PolarHBondContact O-N 3.36Å; Q458-N460 PolarHBondContact O-N 3.32Å; Q458-V461 PolarHBondContact O-N 3.43Å; Q458-I462 VanDerWaalsContact O-CG1 3.22Å; Q458-I462 WeakPolarHBondContact O-CG1 3.43Å; Q458-I462 PolarHBondContact O-N 2.84Å; Q458-L497 HydrophobicContact CB-CD2 4.17Å; Q458-L497 HydrophobicContact CG-CD2 3.84Å
459A89.9Confident90.5Very high36 Ų3643.3 Ų43.330%0.29821%0.211SC..Hα-helixtrans-58.2-37.6175.300000112Y455 D456 Y457 R463Y455-A459 WeakPolarHBondContact O-CB 3.38Å; Y455-A459 PolarHBondContact O-N 3.21Å; D456-A459 PolarHBondContact O-N 3.33Å; Y457-A459 PolarHBondContact O-N 3.48Å; A459-R463 VanDerWaalsContact O-CB 3.29Å; A459-R463 WeakPolarHBondContact O-CB 3.35Å; A459-R463 PolarHBondContact O-N 3.19Å; A459-R463 VanDerWaalsContact O-N 3.13Å
460N89.9Confident90.5Very high79 Ų7944 Ų4442%0.42221%0.211SC..Hα-helixtrans-70.9-45.7175.3-70-32000112.2D456 Y457 Q458 I462 R463 E464D456-N460 PolarHBondContact O-N 3.33Å; D456-N460 VanDerWaalsContact O-N 3.12Å; D456-N460 PolarHBondContact O-ND2 3.33Å; Y457-N460 WeakPolarHBondContact O-CB 3.42Å; Y457-N460 PolarHBondContact O-N 2.97Å; Y457-N460 VanDerWaalsContact O-N 3.16Å; Q458-N460 PolarHBondContact O-N 3.32Å; N460-I462 PolarHBondContact O-N 3.5Å; N460-R463 PolarHBondContact O-N 2.87Å; N460-R463 PolarHBondContact OD1-NH1 2.84Å; N460-E464 PolarHBondContact O-N 3.12Å
461V91.1Very high90.4Very high10 Ų1046.2 Ų46.26%0.06123%0.23CC..Hα-helixtrans-56.9-50.9176.5168.80000110.8Y457 Q458 R463 E464 Q465 L493 S496 L497Y457-V461 HydrophobicContact CD1-CG2 4.14Å; Y457-V461 HydrophobicContact CD2-CG2 4.41Å; Y457-V461 HydrophobicContact CE1-CG2 3.68Å; Y457-V461 HydrophobicContact CE2-CG2 4.01Å; Y457-V461 HydrophobicContact CG-CG2 4.49Å; Y457-V461 WeakPolarHBondContact O-CG2 3.39Å; Y457-V461 PolarHBondContact O-N 2.82Å; Q458-V461 PolarHBondContact O-N 3.43Å; V461-R463 VanDerWaalsContact C-N 3.32Å; V461-R463 PolarHBondContact O-N 2.9Å; V461-E464 PolarHBondContact O-N 3.4Å; V461-Q465 HydrophobicContact CG1-CG 4.26Å; V461-Q465 WeakPolarHBondContact O-CB 3.4Å; V461-Q465 VanDerWaalsContact O-CG 3.29Å; V461-Q465 WeakPolarHBondContact O-CG 3.26Å; V461-Q465 PolarHBondContact O-N 2.83Å; V461-L493 HydrophobicContact CG1-CD1 4.3Å; V461-S496 VanDerWaalsContact CG1-CB 3.44Å; V461-L497 HydrophobicContact CG1-CD2 4.16Å; V461-L497 HydrophobicContact CG1-CG 4.5Å
462I92.4Very high90.2Very high13 Ų1347 Ų477%0.06724%0.238CC..Hα-helixtrans-63.6-41.2-179.1-58.3164.2000110.2F312 L413 Q458 N460 E464 Q465 C466 L493 L497F312-I462 HydrophobicContact CB-CG2 3.76Å; L413-I462 HydrophobicContact CD1-CD1 3.57Å; L413-I462 HydrophobicContact CD2-CD1 3.61Å; L413-I462 HydrophobicContact CG-CD1 4.23Å; Q458-I462 VanDerWaalsContact O-CG1 3.22Å; Q458-I462 WeakPolarHBondContact O-CG1 3.43Å; Q458-I462 PolarHBondContact O-N 2.84Å; N460-I462 PolarHBondContact O-N 3.5Å; I462-E464 VanDerWaalsContact C-N 3.34Å; I462-E464 PolarHBondContact O-N 3.34Å; I462-Q465 PolarHBondContact O-N 2.97Å; I462-C466 VanDerWaalsContact O-CB 3.27Å; I462-C466 WeakPolarHBondContact O-CB 3.37Å; I462-C466 PolarHBondContact O-N 2.9Å; I462-C466 PolarHBondContact O-SG 3.46Å; I462-L493 HydrophobicContact CG1-CD1 4.46Å; I462-L497 HydrophobicContact CG1-CD2 4.46Å
463R91.1Very high89.9Confident152 Ų15246.7 Ų46.757%0.57424%0.235SC*.Hα-helixtrans-59.1-45.8177.3-172-171-57.4132.37.7111.6A459 N460 V461 H467A459-R463 VanDerWaalsContact O-CB 3.29Å; A459-R463 WeakPolarHBondContact O-CB 3.35Å; A459-R463 PolarHBondContact O-N 3.19Å; A459-R463 VanDerWaalsContact O-N 3.13Å; N460-R463 PolarHBondContact O-N 2.87Å; N460-R463 PolarHBondContact OD1-NH1 2.84Å; V461-R463 VanDerWaalsContact C-N 3.32Å; V461-R463 PolarHBondContact O-N 2.9Å; R463-H467 WeakPolarHBondContact O-CB 3.5Å; R463-H467 PolarHBondContact O-N 3.46Å
464E91.7Very high89.5Confident115 Ų11552 Ų5254%0.53726%0.259SS..Hα-helixtrans-64.5-48.1177.4-173.9-177.2167.900111.4N460 V461 I462 C466 H467 N468N460-E464 PolarHBondContact O-N 3.12Å; V461-E464 PolarHBondContact O-N 3.4Å; I462-E464 VanDerWaalsContact C-N 3.34Å; I462-E464 PolarHBondContact O-N 3.34Å; E464-C466 PolarHBondContact O-N 3.16Å; E464-H467 WeakPolarHBondContact O-CB 3.39Å; E464-H467 PolarHBondContact O-N 3.17Å; E464-H467 VanDerWaalsContact O-N 3.16Å; E464-N468 VanDerWaalsContact O-CG 3.3Å; E464-N468 PolarHBondContact O-N 3.12Å; E464-N468 PolarHBondContact O-ND2 3.46Å
465Q91.4Very high89.1Confident20 Ų2055.8 Ų55.89%0.09329%0.291CS..Hα-helixtrans-64.8-40-179.9-65.2-55.3-29.400111.7V461 I462 H467 N468 L469 F489 L493V461-Q465 HydrophobicContact CG1-CG 4.26Å; V461-Q465 WeakPolarHBondContact O-CB 3.4Å; V461-Q465 VanDerWaalsContact O-CG 3.29Å; V461-Q465 WeakPolarHBondContact O-CG 3.26Å; V461-Q465 PolarHBondContact O-N 2.83Å; I462-Q465 PolarHBondContact O-N 2.97Å; Q465-H467 VanDerWaalsContact C-N 3.32Å; Q465-H467 PolarHBondContact O-N 3.03Å; Q465-N468 CarbonylContact O-C 3.58Å; Q465-N468 PolarHBondContact O-N 3.37Å; Q465-L469 WeakPolarHBondContact O-CB 3.44Å; Q465-L469 PolarHBondContact O-N 3.31Å; Q465-F489 HydrophobicContact CB-CE2 3.92Å; Q465-F489 WeakPolarHBondContact O-CE2 3.36Å; Q465-L493 HydrophobicContact CB-CD1 4Å; Q465-L493 HydrophobicContact CG-CD1 3.9Å
466C91.1Very high88.6Confident10 Ų1054 Ų547%0.06828%0.284CS..Hα-helixtrans-66.4-32.3174.3-72.20000112.7Q314 I462 E464 L469 R470Q314-C466 PolarHBondContact NE2-SG 3.45Å; I462-C466 VanDerWaalsContact O-CB 3.27Å; I462-C466 WeakPolarHBondContact O-CB 3.37Å; I462-C466 PolarHBondContact O-N 2.9Å; I462-C466 PolarHBondContact O-SG 3.46Å; E464-C466 PolarHBondContact O-N 3.16Å; C466-L469 WeakPolarHBondContact O-CB 3.38Å; C466-R470 PolarHBondContact O-N 2.93Å; C466-R470 VanDerWaalsContact O-N 3.12Å
467H90.7Very high88Confident117 Ų11755 Ų5554%0.54229%0.29SS..Hα-helixtrans-65.3-44.8170.7177.8-85.3000111.1R463 E464 Q465 L469 R470 A471R463-H467 WeakPolarHBondContact O-CB 3.5Å; R463-H467 PolarHBondContact O-N 3.46Å; E464-H467 WeakPolarHBondContact O-CB 3.39Å; E464-H467 PolarHBondContact O-N 3.17Å; E464-H467 VanDerWaalsContact O-N 3.16Å; Q465-H467 VanDerWaalsContact C-N 3.32Å; Q465-H467 PolarHBondContact O-N 3.03Å; H467-L469 VanDerWaalsContact C-N 3.32Å; H467-L469 PolarHBondContact O-N 3.36Å; H467-R470 PolarHBondContact O-N 3.24Å; H467-A471 PolarHBondContact O-N 2.9Å
468N90.4Very high87.2Confident69 Ų6955 Ų5537%0.36929%0.292SS..Hα-helixtrans-64.9-35.3176.2-66.3-21.9000112.3E464 Q465 A471 G472E464-N468 VanDerWaalsContact O-CG 3.3Å; E464-N468 PolarHBondContact O-N 3.12Å; E464-N468 PolarHBondContact O-ND2 3.46Å; Q465-N468 CarbonylContact O-C 3.58Å; Q465-N468 PolarHBondContact O-N 3.37Å; N468-A471 PolarHBondContact O-N 2.94Å; N468-G472 PolarHBondContact O-N 3.42Å
469L90.2Very high86.3Confident2 Ų255 Ų551%0.0129%0.294CS..Hα-helixtrans-57.7-53.3172.1178.162.3000109.9M305 Q465 C466 H467 A471 G472 L473 F485 M486 F489M305-L469 HydrophobicContact CE-CB 4.5Å; M305-L469 HydrophobicContact CE-CD2 3.5Å; M305-L469 HydrophobicContact CE-CG 3.87Å; Q465-L469 WeakPolarHBondContact O-CB 3.44Å; Q465-L469 PolarHBondContact O-N 3.31Å; C466-L469 WeakPolarHBondContact O-CB 3.38Å; H467-L469 VanDerWaalsContact C-N 3.32Å; H467-L469 PolarHBondContact O-N 3.36Å; L469-A471 PolarHBondContact O-N 3.32Å; L469-G472 PolarHBondContact O-N 2.91Å; L469-L473 HydrophobicContact CD1-CD1 4.34Å; L469-L473 HydrophobicContact CD1-CG 4.31Å; L469-L473 HydrophobicContact CG-CD1 4.25Å; L469-L473 VanDerWaalsContact O-CG 3.23Å; L469-L473 WeakPolarHBondContact O-CG 3.43Å; L469-L473 PolarHBondContact O-N 3.05Å; L469-F485 HydrophobicContact CD1-CE1 3.63Å; L469-F485 HydrophobicContact CD1-CZ 4.02Å; L469-M486 HydrophobicContact CD1-SD 3.93Å; L469-F489 HydrophobicContact CB-CD2 4.05Å; L469-F489 HydrophobicContact CB-CE2 3.76Å; L469-F489 HydrophobicContact CB-CZ 4.18Å; L469-F489 HydrophobicContact CD1-CD1 4.05Å; L469-F489 HydrophobicContact CD1-CD2 4.24Å; L469-F489 HydrophobicContact CD1-CE1 4.26Å; L469-F489 HydrophobicContact CD1-CE2 4.42Å; L469-F489 HydrophobicContact CD1-CG 4.06Å; L469-F489 HydrophobicContact CD1-CZ 4.45Å; L469-F489 HydrophobicContact CD2-CE1 4.05Å; L469-F489 HydrophobicContact CD2-CE2 4.32Å; L469-F489 HydrophobicContact CD2-CZ 3.87Å; L469-F489 HydrophobicContact CG-CE2 4.39Å; L469-F489 HydrophobicContact CG-CZ 4.4Å
470R88.1Confident85.5Confident102 Ų10257.3 Ų57.339%0.38530%0.298SS..Hα-helixtrans-58.9-45.2178.6-176178-64.7117.36.2112.5E301 M305 C466 H467E301-R470 HydrophobicContact CG-CG 4.41Å; E301-R470 WeakPolarHBondContact OE1-CD 3.48Å; E301-R470 VanDerWaalsContact OE1-CG 3.28Å; E301-R470 WeakPolarHBondContact OE1-CG 3.5Å; E301-R470 IonicContact OE1-NE 3.95Å; E301-R470 PolarHBondContact OE1-NE 3.24Å; M305-R470 PolarHBondContact SD-NH2 3.48Å; M305-R470 VanDerWaalsContact SD-NH2 3.36Å; C466-R470 PolarHBondContact O-N 2.93Å; C466-R470 VanDerWaalsContact O-N 3.12Å; H467-R470 PolarHBondContact O-N 3.24Å
471A87.8Confident85Confident49 Ų4955 Ų5541%0.40529%0.29SS..Hα-helixtrans-65.7-42.7178.600000111.9H467 N468 L469 Q474H467-A471 PolarHBondContact O-N 2.9Å; N468-A471 PolarHBondContact O-N 2.94Å; L469-A471 PolarHBondContact O-N 3.32Å; A471-Q474 WeakPolarHBondContact O-CB 3.35Å; A471-Q474 PolarHBondContact O-N 2.94Å
472G86.8Confident84.7Confident18 Ų1854.5 Ų54.519%0.18629%0.287CS..Hα-helixtrans-69.5-34.8-178.300000113.8N468 L469 Q474 A475N468-G472 PolarHBondContact O-N 3.42Å; L469-G472 PolarHBondContact O-N 2.91Å; G472-Q474 PolarHBondContact O-N 3.25Å; G472-Q474 VanDerWaalsContact O-N 3.1Å; G472-A475 WeakPolarHBondContact O-CB 3.48Å; G472-A475 PolarHBondContact O-N 2.91Å
473L85.7Confident84.1Confident8 Ų855.5 Ų55.54%0.04230%0.295CS..Hα-helixtrans-57.5-26.5175.8-74.4171.5000112.9L300 C304 L469 A475 V476 F482 F485L300-L473 HydrophobicContact CD2-CD2 3.98Å; L300-L473 HydrophobicContact CG-CD2 4.3Å; C304-L473 HydrophobicContact CB-CD1 3.75Å; L469-L473 HydrophobicContact CD1-CD1 4.34Å; L469-L473 HydrophobicContact CD1-CG 4.31Å; L469-L473 HydrophobicContact CG-CD1 4.25Å; L469-L473 VanDerWaalsContact O-CG 3.23Å; L469-L473 WeakPolarHBondContact O-CG 3.43Å; L469-L473 PolarHBondContact O-N 3.05Å; L473-A475 VanDerWaalsContact C-N 3.27Å; L473-A475 PolarHBondContact O-N 3.46Å; L473-V476 PolarHBondContact O-N 3.21Å; L473-F482 HydrophobicContact CD2-CD2 4.11Å; L473-F482 HydrophobicContact CD2-CE2 3.72Å; L473-F485 HydrophobicContact CD2-CD1 4.24Å; L473-F485 HydrophobicContact CD2-CE1 3.77Å; L473-F485 HydrophobicContact CG-CE1 3.92Å
474Q80.4Confident83.8Confident126 Ų12653.3 Ų53.359%0.58930%0.295SS*.THydrogen-bonded Turntrans-68.3-27177.5-61.5-174-9.600113.2K297 A471 G472K297-Q474 PolarHBondContact NZ-O 3.49Å; A471-Q474 WeakPolarHBondContact O-CB 3.35Å; A471-Q474 PolarHBondContact O-N 2.94Å; G472-Q474 PolarHBondContact O-N 3.25Å; G472-Q474 VanDerWaalsContact O-N 3.1Å
475A81.7Confident83.7Confident84 Ų8450 Ų5069%0.69428%0.279SS*.THydrogen-bonded Turntrans-85.7-16.5-178.900000113.4G472 L473G472-A475 WeakPolarHBondContact O-CB 3.48Å; G472-A475 PolarHBondContact O-N 2.91Å; L473-A475 VanDerWaalsContact C-N 3.27Å; L473-A475 PolarHBondContact O-N 3.46Å
476V81.8Confident83.5Confident8 Ų849.4 Ų49.45%0.04828%0.276CS..  trans-74.9127-176.3-1760000111W291 L473 S478 A481 F482 F485W291-V476 HydrophobicContact CH2-CG1 3.78Å; W291-V476 HydrophobicContact CZ2-CB 4.11Å; W291-V476 HydrophobicContact CZ2-CG1 3.45Å; W291-V476 VanDerWaalsContact CZ2-CG1 3.45Å; L473-V476 PolarHBondContact O-N 3.21Å; V476-S478 WeakPolarHBondContact CG1-O 3.5Å; V476-A481 HydrophobicContact CG1-CB 4.15Å; V476-F482 HydrophobicContact CG1-CB 3.7Å; V476-F482 HydrophobicContact CG1-CD2 4.38Å; V476-F485 HydrophobicContact CG2-CB 4.18Å; V476-F485 HydrophobicContact CG2-CD1 4.06Å; V476-F485 HydrophobicContact CG2-CG 4.07Å
477N76.3Confident83.4Confident112 Ų11251.4 Ų51.460%0.59929%0.286SS*.  trans-128.53.2-175.364.9-3.6000114.1W291W291-N477 VanDerWaalsContact CD1-O 3.27Å
478S73.2Confident83.4Confident18 Ų1849 Ų4913%0.12628%0.28CS..SBendtrans-150.3160.6176.471.30000110.7V476 A481 F482V476-S478 WeakPolarHBondContact CG1-O 3.5Å; S478-A481 PolarHBondContact O-N 3.06Å; S478-A481 VanDerWaalsContact OG-CB 3.26Å; S478-A481 WeakPolarHBondContact OG-CB 3.29Å; S478-A481 PolarHBondContact OG-N 3.31Å; S478-A481 VanDerWaalsContact OG-N 3.1Å; S478-F482 PolarHBondContact O-N 3.47Å
479S71.1Confident83.5Confident8 Ų846.1 Ų46.16%0.05626%0.264CS..Hα-helixtrans-64-35.8174.350.70000113.5Y227 F482 S483Y227-S479 PolarHBondContact OH-OG 3.49Å; S479-F482 WeakPolarHBondContact O-CB 3.42Å; S479-F482 PolarHBondContact O-N 3.46Å; S479-S483 PolarHBondContact O-N 3.31Å; S479-S483 PolarHBondContact O-OG 2.93Å
480E72.8Confident83.6Confident83 Ų8346 Ų4639%0.38826%0.264SS..Hα-helixtrans-63.3-50.9174-65.7173.2139.500110.2H283 F482 S483 D484H283-E480 IonicContact CE1-OE1 3.48Å; H283-E480 PolarHBondContact CE1-OE1 3.37Å; H283-E480 IonicContact ND1-OE1 2.63Å; H283-E480 PolarHBondContact ND1-OE1 2.98Å; H283-E480 VanDerWaalsContact ND1-OE1 3.1Å; E480-F482 PolarHBondContact O-N 3.29Å; E480-S483 PolarHBondContact O-N 3.08Å; E480-D484 PolarHBondContact O-N 3.14Å
481A80.3Confident83.7Confident31 Ų3147.7 Ų47.726%0.25627%0.271SS..Hα-helixtrans-61.3-32.7177.800000111.8V476 S478 F485V476-A481 HydrophobicContact CG1-CB 4.15Å; S478-A481 PolarHBondContact O-N 3.06Å; S478-A481 VanDerWaalsContact OG-CB 3.26Å; S478-A481 WeakPolarHBondContact OG-CB 3.29Å; S478-A481 PolarHBondContact OG-N 3.31Å; S478-A481 VanDerWaalsContact OG-N 3.1Å; A481-F485 WeakPolarHBondContact O-CB 3.24Å; A481-F485 PolarHBondContact O-N 3.03Å
482F83.8Confident83.9Confident0 Ų050.8 Ų50.80%028%0.275CS..Hα-helixtrans-65.3-46.8173.2-178.8-101.5000112.2W291 L300 L397 F398 L473 V476 S478 S479 E480 F485 M486W291-F482 HydrophobicContact CH2-CB 3.5Å; W291-F482 AromaticContact CH2-CD2 3.63Å; W291-F482 HydrophobicContact CH2-CD2 3.63Å; W291-F482 AromaticContact CH2-CG 3.66Å; W291-F482 HydrophobicContact CH2-CG 3.66Å; W291-F482 HydrophobicContact CZ2-CB 4.47Å; W291-F482 HydrophobicContact CZ3-CB 3.59Å; W291-F482 HydrophobicContact CZ3-CD2 4.29Å; W291-F482 AromaticContact CZ3-CG 3.89Å; W291-F482 HydrophobicContact CZ3-CG 3.89Å; L300-F482 HydrophobicContact CD1-CD2 4.3Å; L300-F482 HydrophobicContact CD1-CE2 3.78Å; L300-F482 HydrophobicContact CD1-CZ 4.14Å; L300-F482 HydrophobicContact CD2-CD2 4.09Å; L300-F482 HydrophobicContact CD2-CE2 4.12Å; L300-F482 HydrophobicContact CG-CE2 4.2Å; L397-F482 HydrophobicContact CB-CD1 4.01Å; L397-F482 HydrophobicContact CB-CE1 3.66Å; L397-F482 HydrophobicContact CD1-CE1 4.46Å; F398-F482 HydrophobicContact CD1-CE1 4.44Å; F398-F482 HydrophobicContact CE1-CE1 4.01Å; F398-F482 AromaticContact CE1-CZ 3.68Å; F398-F482 HydrophobicContact CE1-CZ 3.68Å; F398-F482 HydrophobicContact CZ-CE1 4.34Å; F398-F482 AromaticContact CZ-CZ 3.81Å; F398-F482 HydrophobicContact CZ-CZ 3.81Å; L473-F482 HydrophobicContact CD2-CD2 4.11Å; L473-F482 HydrophobicContact CD2-CE2 3.72Å; V476-F482 HydrophobicContact CG1-CB 3.7Å; V476-F482 HydrophobicContact CG1-CD2 4.38Å; S478-F482 PolarHBondContact O-N 3.47Å; S479-F482 WeakPolarHBondContact O-CB 3.42Å; S479-F482 PolarHBondContact O-N 3.46Å; E480-F482 PolarHBondContact O-N 3.29Å; F482-F485 PolarHBondContact O-N 3.24Å; F482-M486 HydrophobicContact CD1-CG 4.13Å; F482-M486 HydrophobicContact CD2-CG 4.27Å; F482-M486 HydrophobicContact CE1-CG 3.64Å; F482-M486 HydrophobicContact CE2-CG 3.83Å; F482-M486 HydrophobicContact CE2-SD 4.15Å; F482-M486 HydrophobicContact CG-CG 4.43Å; F482-M486 HydrophobicContact CZ-CG 3.49Å; F482-M486 VanDerWaalsContact CZ-CG 3.49Å; F482-M486 HydrophobicContact CZ-SD 3.99Å; F482-M486 WeakPolarHBondContact O-CB 3.42Å; F482-M486 WeakPolarHBondContact O-CG 3.31Å; F482-M486 PolarHBondContact O-N 3.21Å
483S80.4Confident84.2Confident33 Ų3350 Ų5023%0.23127%0.266CS..Hα-helixtrans-63.2-48.5-179.2-56.80000110.5S479 E480 F485 M486 D487S479-S483 PolarHBondContact O-N 3.31Å; S479-S483 PolarHBondContact O-OG 2.93Å; E480-S483 PolarHBondContact O-N 3.08Å; S483-F485 VanDerWaalsContact C-N 3.31Å; S483-F485 PolarHBondContact O-N 2.91Å; S483-M486 PolarHBondContact O-N 2.98Å; S483-D487 WeakPolarHBondContact O-CB 2.94Å; S483-D487 PolarHBondContact O-N 3.45Å
484D83.8Confident84.5Confident106 Ų10650.1 Ų50.157%0.56727%0.267SS*.Hα-helixtrans-60.6-40.9176.3-69.7-17.2000111.9E480 T488E480-D484 PolarHBondContact O-N 3.14Å; D484-T488 VanDerWaalsContact O-CB 3.3Å; D484-T488 WeakPolarHBondContact O-CB 3.34Å; D484-T488 PolarHBondContact O-N 2.99Å; D484-T488 PolarHBondContact O-OG1 2.79Å
485F89.3Confident84.9Confident47 Ų4745.3 Ų45.321%0.20625%0.247CC..Hα-helixtrans-64.9-46.3177.1171.2-105.9000112L469 L473 V476 A481 F482 S483 T488 F489L469-F485 HydrophobicContact CD1-CE1 3.63Å; L469-F485 HydrophobicContact CD1-CZ 4.02Å; L473-F485 HydrophobicContact CD2-CD1 4.24Å; L473-F485 HydrophobicContact CD2-CE1 3.77Å; L473-F485 HydrophobicContact CG-CE1 3.92Å; V476-F485 HydrophobicContact CG2-CB 4.18Å; V476-F485 HydrophobicContact CG2-CD1 4.06Å; V476-F485 HydrophobicContact CG2-CG 4.07Å; A481-F485 WeakPolarHBondContact O-CB 3.24Å; A481-F485 PolarHBondContact O-N 3.03Å; F482-F485 PolarHBondContact O-N 3.24Å; S483-F485 VanDerWaalsContact C-N 3.31Å; S483-F485 PolarHBondContact O-N 2.91Å; F485-T488 PolarHBondContact O-N 2.9Å; F485-F489 VanDerWaalsContact O-CB 3.27Å; F485-F489 WeakPolarHBondContact O-CB 3.46Å; F485-F489 PolarHBondContact O-N 3.31Å
486M88.7Confident85.3Confident6 Ų642.9 Ų42.93%0.0323%0.225CC..Hα-helixtrans-64.2-42.7177.4-75.4-59.2-57.500111.6F398 L469 F482 S483 T488 F489 I490F398-M486 HydrophobicContact CE1-CE 3.98Å; F398-M486 HydrophobicContact CE1-SD 4.48Å; L469-M486 HydrophobicContact CD1-SD 3.93Å; F482-M486 HydrophobicContact CD1-CG 4.13Å; F482-M486 HydrophobicContact CD2-CG 4.27Å; F482-M486 HydrophobicContact CE1-CG 3.64Å; F482-M486 HydrophobicContact CE2-CG 3.83Å; F482-M486 HydrophobicContact CE2-SD 4.15Å; F482-M486 HydrophobicContact CG-CG 4.43Å; F482-M486 HydrophobicContact CZ-CG 3.49Å; F482-M486 VanDerWaalsContact CZ-CG 3.49Å; F482-M486 HydrophobicContact CZ-SD 3.99Å; F482-M486 WeakPolarHBondContact O-CB 3.42Å; F482-M486 WeakPolarHBondContact O-CG 3.31Å; F482-M486 PolarHBondContact O-N 3.21Å; S483-M486 PolarHBondContact O-N 2.98Å; M486-T488 VanDerWaalsContact C-N 3.34Å; M486-T488 PolarHBondContact O-N 2.68Å; M486-F489 HydrophobicContact CE-CD1 4.13Å; M486-F489 PolarHBondContact O-N 2.76Å; M486-F489 HydrophobicContact SD-CD1 4.5Å; M486-I490 HydrophobicContact CE-CD1 4.35Å; M486-I490 WeakPolarHBondContact O-CB 3.46Å; M486-I490 VanDerWaalsContact O-CG1 3.29Å; M486-I490 WeakPolarHBondContact O-CG1 3.05Å; M486-I490 PolarHBondContact O-N 3.37Å
487D87.4Confident85.7Confident52 Ų5242.5 Ų42.528%0.27822%0.223SC..Hα-helixtrans-62.2-42.5175.8-87.8-28.7000111.8R405 S483 Y491R405-D487 IonicContact NH1-OD1 3.61Å; R405-D487 PolarHBondContact NH1-OD1 3.23Å; S483-D487 WeakPolarHBondContact O-CB 2.94Å; S483-D487 PolarHBondContact O-N 3.45Å; D487-Y491 VanDerWaalsContact O-CB 3.23Å; D487-Y491 WeakPolarHBondContact O-CB 3.32Å; D487-Y491 PolarHBondContact O-N 2.91Å
488T91.2Very high86.3Confident68 Ų6837.3 Ų37.342%0.41720%0.195SC..Hα-helixtrans-64.7-43175.2-59.30000111.6D484 F485 M486 K492D484-T488 VanDerWaalsContact O-CB 3.3Å; D484-T488 WeakPolarHBondContact O-CB 3.34Å; D484-T488 PolarHBondContact O-N 2.99Å; D484-T488 PolarHBondContact O-OG1 2.79Å; F485-T488 PolarHBondContact O-N 2.9Å; M486-T488 VanDerWaalsContact C-N 3.34Å; M486-T488 PolarHBondContact O-N 2.68Å; T488-K492 HydrophobicContact CG2-CD 4.24Å; T488-K492 WeakPolarHBondContact O-CB 3.29Å; T488-K492 VanDerWaalsContact O-CG 3.31Å; T488-K492 WeakPolarHBondContact O-CG 3.28Å; T488-K492 PolarHBondContact O-N 3.07Å
489F92.4Very high87Confident8 Ų837.9 Ų37.94%0.03520%0.197CC..Hα-helixtrans-62.1-49.8178.3162.4-103.5000111.3F312 Q465 L469 F485 M486 Y491 K492 L493F312-F489 HydrophobicContact CD2-CZ 4.37Å; F312-F489 AromaticContact CE2-CE1 3.56Å; F312-F489 HydrophobicContact CE2-CE1 3.56Å; F312-F489 AromaticContact CE2-CZ 3.59Å; F312-F489 HydrophobicContact CE2-CZ 3.59Å; F312-F489 AromaticContact CZ-CE1 3.78Å; F312-F489 HydrophobicContact CZ-CE1 3.78Å; F312-F489 HydrophobicContact CZ-CZ 4.15Å; Q465-F489 HydrophobicContact CB-CE2 3.92Å; Q465-F489 WeakPolarHBondContact O-CE2 3.36Å; L469-F489 HydrophobicContact CB-CD2 4.05Å; L469-F489 HydrophobicContact CB-CE2 3.76Å; L469-F489 HydrophobicContact CB-CZ 4.18Å; L469-F489 HydrophobicContact CD1-CD1 4.05Å; L469-F489 HydrophobicContact CD1-CD2 4.24Å; L469-F489 HydrophobicContact CD1-CE1 4.26Å; L469-F489 HydrophobicContact CD1-CE2 4.42Å; L469-F489 HydrophobicContact CD1-CG 4.06Å; L469-F489 HydrophobicContact CD1-CZ 4.45Å; L469-F489 HydrophobicContact CD2-CE1 4.05Å; L469-F489 HydrophobicContact CD2-CE2 4.32Å; L469-F489 HydrophobicContact CD2-CZ 3.87Å; L469-F489 HydrophobicContact CG-CE2 4.39Å; L469-F489 HydrophobicContact CG-CZ 4.4Å; F485-F489 VanDerWaalsContact O-CB 3.27Å; F485-F489 WeakPolarHBondContact O-CB 3.46Å; F485-F489 PolarHBondContact O-N 3.31Å; M486-F489 HydrophobicContact CE-CD1 4.13Å; M486-F489 PolarHBondContact O-N 2.76Å; M486-F489 HydrophobicContact SD-CD1 4.5Å; F489-Y491 PolarHBondContact O-N 2.96Å; F489-K492 PolarHBondContact O-N 3.35Å; F489-L493 HydrophobicContact CE1-CD2 4.37Å; F489-L493 HydrophobicContact CZ-CD2 3.98Å; F489-L493 WeakPolarHBondContact O-CB 3.48Å; F489-L493 PolarHBondContact O-N 3.1Å
490I91.9Very high87.8Confident0 Ų040.8 Ų40.80%021%0.211CC..Hα-helixtrans-64.6-42.6179.4-66169000110.3V402 R405 I409 M486 K492 L493 E494V402-I490 HydrophobicContact CB-CD1 4.14Å; V402-I490 HydrophobicContact CG1-CD1 3.46Å; V402-I490 VanDerWaalsContact CG1-CD1 3.46Å; V402-I490 HydrophobicContact CG2-CD1 4.18Å; R405-I490 HydrophobicContact CB-CG2 3.82Å; I409-I490 HydrophobicContact CD1-CG2 4.27Å; M486-I490 HydrophobicContact CE-CD1 4.35Å; M486-I490 WeakPolarHBondContact O-CB 3.46Å; M486-I490 VanDerWaalsContact O-CG1 3.29Å; M486-I490 WeakPolarHBondContact O-CG1 3.05Å; M486-I490 PolarHBondContact O-N 3.37Å; I490-K492 VanDerWaalsContact C-N 3.35Å; I490-K492 PolarHBondContact O-N 3.41Å; I490-L493 PolarHBondContact O-N 3.27Å; I490-L493 VanDerWaalsContact O-N 3.16Å; I490-E494 HydrophobicContact CG2-CG 4.11Å; I490-E494 WeakPolarHBondContact O-CB 3.35Å; I490-E494 WeakPolarHBondContact O-CG 3.3Å; I490-E494 PolarHBondContact O-N 3.33Å
491Y91.9Very high88.4Confident136 Ų13637.2 Ų37.253%0.53320%0.195SC..Hα-helixtrans-58.4-45.6175.7177.7-91.6000112.2R405 D487 F489 L493 S495 L500R405-Y491 VanDerWaalsContact NH2-CA 3.32Å; D487-Y491 VanDerWaalsContact O-CB 3.23Å; D487-Y491 WeakPolarHBondContact O-CB 3.32Å; D487-Y491 PolarHBondContact O-N 2.91Å; F489-Y491 PolarHBondContact O-N 2.96Å; Y491-L493 VanDerWaalsContact C-N 3.33Å; Y491-L493 PolarHBondContact O-N 2.99Å; Y491-S495 VanDerWaalsContact O-CB 3.32Å; Y491-S495 WeakPolarHBondContact O-CB 3.42Å; Y491-S495 PolarHBondContact O-N 3.05Å; Y491-L500 HydrophobicContact CD2-CD1 3.55Å; Y491-L500 HydrophobicContact CE2-CD1 3.41Å; Y491-L500 VanDerWaalsContact CE2-CD1 3.41Å; Y491-L500 HydrophobicContact CG-CD1 4.27Å
492K91.7Very high88.8Confident114 Ų11440.2 Ų40.250%0.49621%0.212SC..Hα-helixtrans-62.4-41.5175.8-76.2176.6179.5179.90111.7T488 F489 I490 S496T488-K492 HydrophobicContact CG2-CD 4.24Å; T488-K492 WeakPolarHBondContact O-CB 3.29Å; T488-K492 VanDerWaalsContact O-CG 3.31Å; T488-K492 WeakPolarHBondContact O-CG 3.28Å; T488-K492 PolarHBondContact O-N 3.07Å; F489-K492 PolarHBondContact O-N 3.35Å; I490-K492 VanDerWaalsContact C-N 3.35Å; I490-K492 PolarHBondContact O-N 3.41Å; K492-S496 WeakPolarHBondContact O-CB 3.24Å; K492-S496 PolarHBondContact O-N 3.14Å; K492-S496 PolarHBondContact O-OG 2.98Å
493L92.5Very high89Confident1 Ų144.4 Ų44.41%0.00524%0.235CC..Hα-helixtrans-65.4-49.4178.3-177.457.1000111.4F312 I409 V461 I462 Q465 F489 I490 Y491 S495 S496 L497F312-L493 HydrophobicContact CD1-CD2 3.9Å; F312-L493 HydrophobicContact CD2-CD2 4.2Å; F312-L493 HydrophobicContact CE1-CD2 3.62Å; F312-L493 HydrophobicContact CE2-CD2 3.96Å; F312-L493 HydrophobicContact CG-CD2 4.21Å; F312-L493 HydrophobicContact CZ-CD2 3.65Å; I409-L493 HydrophobicContact CD1-CD2 3.79Å; I409-L493 HydrophobicContact CD1-CG 4Å; V461-L493 HydrophobicContact CG1-CD1 4.3Å; I462-L493 HydrophobicContact CG1-CD1 4.46Å; Q465-L493 HydrophobicContact CB-CD1 4Å; Q465-L493 HydrophobicContact CG-CD1 3.9Å; F489-L493 HydrophobicContact CE1-CD2 4.37Å; F489-L493 HydrophobicContact CZ-CD2 3.98Å; F489-L493 WeakPolarHBondContact O-CB 3.48Å; F489-L493 PolarHBondContact O-N 3.1Å; I490-L493 PolarHBondContact O-N 3.27Å; I490-L493 VanDerWaalsContact O-N 3.16Å; Y491-L493 VanDerWaalsContact C-N 3.33Å; Y491-L493 PolarHBondContact O-N 2.99Å; L493-S495 VanDerWaalsContact C-N 3.33Å; L493-S495 PolarHBondContact O-N 3.2Å; L493-S496 PolarHBondContact O-N 3.33Å; L493-S496 VanDerWaalsContact O-N 3.14Å; L493-L497 HydrophobicContact CD1-CD1 3.83Å; L493-L497 HydrophobicContact CD1-CG 4.1Å; L493-L497 HydrophobicContact CG-CD1 3.96Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 VanDerWaalsContact O-CG 3.31Å; L493-L497 WeakPolarHBondContact O-CG 3.49Å; L493-L497 PolarHBondContact O-N 3.23Å
494E91.9Very high89.3Confident11 Ų1142.9 Ų42.95%0.05122%0.224CC..Hα-helixtrans-59.8-41.4175.9-69.4170.5161.800112.1R405 I409 I490 S496 L497 F498 I499 L500R405-E494 WeakPolarHBondContact CB-OE1 3.34Å; R405-E494 IonicContact CZ-OE1 2.7Å; R405-E494 IonicContact CZ-OE2 2.64Å; R405-E494 IonicContact NE-OE1 2.85Å; R405-E494 PolarHBondContact NE-OE1 3.1Å; R405-E494 IonicContact NE-OE2 2.82Å; R405-E494 PolarHBondContact NE-OE2 3.18Å; R405-E494 IonicContact NH2-OE1 3.1Å; R405-E494 IonicContact NH2-OE2 2.85Å; R405-E494 PolarHBondContact NH2-OE2 3Å; I409-E494 HydrophobicContact CD1-CG 3.99Å; I409-E494 HydrophobicContact CG1-CG 4.12Å; I490-E494 HydrophobicContact CG2-CG 4.11Å; I490-E494 WeakPolarHBondContact O-CB 3.35Å; I490-E494 WeakPolarHBondContact O-CG 3.3Å; I490-E494 PolarHBondContact O-N 3.33Å; E494-S496 VanDerWaalsContact C-N 3.34Å; E494-S496 PolarHBondContact O-N 3.27Å; E494-L497 CarbonylContact O-C 3.5Å; E494-L497 PolarHBondContact O-N 3.25Å; E494-F498 PolarHBondContact O-N 3.08Å; E494-F498 VanDerWaalsContact O-N 3.15Å; E494-I499 HydrophobicContact CB-CB 4.12Å; E494-I499 HydrophobicContact CB-CD1 4.47Å; E494-I499 HydrophobicContact CG-CD1 4.28Å; E494-I499 PolarHBondContact O-N 3.13Å; E494-L500 HydrophobicContact CB-CD1 4.1Å; E494-L500 HydrophobicContact CB-CD2 4.19Å; E494-L500 HydrophobicContact CB-CG 3.78Å
495S90.1Very high89.5Confident25 Ų2540.8 Ų40.818%0.17521%0.208CC..Hα-helixtrans-63.8-39.4175.4-174.90000112Y491 L493 L497 F498Y491-S495 VanDerWaalsContact O-CB 3.32Å; Y491-S495 WeakPolarHBondContact O-CB 3.42Å; Y491-S495 PolarHBondContact O-N 3.05Å; L493-S495 VanDerWaalsContact C-N 3.33Å; L493-S495 PolarHBondContact O-N 3.2Å; S495-L497 VanDerWaalsContact C-N 3.35Å; S495-F498 PolarHBondContact O-N 3.42Å
496S89Confident89.6Confident33 Ų3342.9 Ų42.923%0.23122%0.221CC..Hα-helixtrans-75.4-25.8-179.7-53.90000112.4V461 K492 L493 E494 F498V461-S496 VanDerWaalsContact CG1-CB 3.44Å; K492-S496 WeakPolarHBondContact O-CB 3.24Å; K492-S496 PolarHBondContact O-N 3.14Å; K492-S496 PolarHBondContact O-OG 2.98Å; L493-S496 PolarHBondContact O-N 3.33Å; L493-S496 VanDerWaalsContact O-N 3.14Å; E494-S496 VanDerWaalsContact C-N 3.34Å; E494-S496 PolarHBondContact O-N 3.27Å; S496-F498 VanDerWaalsContact C-N 3.3Å
497L90.2Very high89.6Confident1 Ų143.6 Ų43.61%0.00523%0.225CC..THydrogen-bonded Turntrans-88.55.3173.2-65.1175.8000112.9I409 F412 Q458 V461 I462 L493 E494 S495 I499I409-L497 HydrophobicContact CG1-CD1 4.37Å; I409-L497 HydrophobicContact CG2-CD1 3.67Å; F412-L497 HydrophobicContact CD1-CB 4.3Å; F412-L497 HydrophobicContact CD1-CD1 4.45Å; F412-L497 HydrophobicContact CE1-CB 3.96Å; F412-L497 HydrophobicContact CE1-CD2 4.21Å; Q458-L497 HydrophobicContact CB-CD2 4.17Å; Q458-L497 HydrophobicContact CG-CD2 3.84Å; V461-L497 HydrophobicContact CG1-CD2 4.16Å; V461-L497 HydrophobicContact CG1-CG 4.5Å; I462-L497 HydrophobicContact CG1-CD2 4.46Å; L493-L497 HydrophobicContact CD1-CD1 3.83Å; L493-L497 HydrophobicContact CD1-CG 4.1Å; L493-L497 HydrophobicContact CG-CD1 3.96Å; L493-L497 WeakPolarHBondContact O-CB 3.29Å; L493-L497 VanDerWaalsContact O-CG 3.31Å; L493-L497 WeakPolarHBondContact O-CG 3.49Å; L493-L497 PolarHBondContact O-N 3.23Å; E494-L497 CarbonylContact O-C 3.5Å; E494-L497 PolarHBondContact O-N 3.25Å; S495-L497 VanDerWaalsContact C-N 3.35Å; L497-I499 HydrophobicContact CB-CD1 4.15Å; L497-I499 HydrophobicContact CB-CG1 4.21Å; L497-I499 HydrophobicContact CD1-CD1 4.37Å; L497-I499 PolarHBondContact O-N 3.35Å
498F88.9Confident89.8Confident2 Ų241.2 Ų41.21%0.00921%0.212CC..THydrogen-bonded Turntrans64.58.6-179-45.2-66.3000116.1Y457 E494 S495 S496 L500 S501 L504 I508 K553 V554 L557Y457-F498 HydrophobicContact CD1-CE2 4.13Å; Y457-F498 AromaticContact CE1-CE2 3.46Å; Y457-F498 HydrophobicContact CE1-CE2 3.46Å; Y457-F498 VanDerWaalsContact CE1-CE2 3.46Å; Y457-F498 AromaticContact CE1-CZ 3.63Å; Y457-F498 HydrophobicContact CE1-CZ 3.63Å; Y457-F498 AromaticContact CZ-CZ 3.89Å; E494-F498 PolarHBondContact O-N 3.08Å; E494-F498 VanDerWaalsContact O-N 3.15Å; S495-F498 PolarHBondContact O-N 3.42Å; S496-F498 VanDerWaalsContact C-N 3.3Å; F498-L500 PolarHBondContact O-N 3.35Å; F498-S501 PolarHBondContact O-N 3.13Å; F498-L504 HydrophobicContact CB-CB 4.39Å; F498-L504 HydrophobicContact CD1-CD1 4.15Å; F498-I508 HydrophobicContact CB-CD1 4.27Å; F498-I508 HydrophobicContact CD2-CD1 3.9Å; F498-I508 HydrophobicContact CG-CD1 4.43Å; F498-K553 HydrophobicContact CE1-CB 4.22Å; F498-K553 WeakPolarHBondContact CE1-O 3.49Å; F498-V554 HydrophobicContact CD1-CG2 4.32Å; F498-V554 HydrophobicContact CE1-CB 4.36Å; F498-V554 HydrophobicContact CE1-CG1 4.37Å; F498-V554 HydrophobicContact CE1-CG2 3.84Å; F498-V554 HydrophobicContact CZ-CG1 4.2Å; F498-V554 HydrophobicContact CZ-CG2 4.47Å; F498-L557 HydrophobicContact CE2-CD2 3.67Å; F498-L557 HydrophobicContact CZ-CD2 4.12Å
499I87.6Confident89.7Confident31 Ų3140 Ų4016%0.15920%0.203CC..THydrogen-bonded Turntrans-57.7-38.2177.7-64.5168.2000111I409 E494 L497 S501 W505I409-I499 HydrophobicContact CB-CD1 4.35Å; I409-I499 HydrophobicContact CG1-CD1 3.62Å; E494-I499 HydrophobicContact CB-CB 4.12Å; E494-I499 HydrophobicContact CB-CD1 4.47Å; E494-I499 HydrophobicContact CG-CD1 4.28Å; E494-I499 PolarHBondContact O-N 3.13Å; L497-I499 HydrophobicContact CB-CD1 4.15Å; L497-I499 HydrophobicContact CB-CG1 4.21Å; L497-I499 HydrophobicContact CD1-CD1 4.37Å; L497-I499 PolarHBondContact O-N 3.35Å; I499-S501 PolarHBondContact O-N 3.48Å; I499-W505 HydrophobicContact CB-CE3 4.26Å; I499-W505 HydrophobicContact CB-CZ3 4.19Å; I499-W505 HydrophobicContact CD1-CZ3 4.37Å; I499-W505 HydrophobicContact CG1-CE3 3.86Å; I499-W505 HydrophobicContact CG1-CH2 3.88Å; I499-W505 HydrophobicContact CG1-CZ3 3.33Å
500L87.3Confident89.5Confident68 Ų6843.2 Ų43.236%0.35622%0.218SC..THydrogen-bonded Turntrans-801.2178.8-58-178.6000114.2Y491 E494 F498 P502Y491-L500 HydrophobicContact CD2-CD1 3.55Å; Y491-L500 HydrophobicContact CE2-CD1 3.41Å; Y491-L500 VanDerWaalsContact CE2-CD1 3.41Å; Y491-L500 HydrophobicContact CG-CD1 4.27Å; E494-L500 HydrophobicContact CB-CD1 4.1Å; E494-L500 HydrophobicContact CB-CD2 4.19Å; E494-L500 HydrophobicContact CB-CG 3.78Å; F498-L500 PolarHBondContact O-N 3.35Å; L500-P502 WeakPolarHBondContact O-CD 3.36Å
501S87.4Confident89.5Confident8 Ų843.7 Ų43.76%0.05622%0.22CC..  trans-112.489.2-178.5-54.10000109F498 I499 D503 L504 W505F498-S501 PolarHBondContact O-N 3.13Å; I499-S501 PolarHBondContact O-N 3.48Å; S501-D503 VanDerWaalsContact C-N 3.29Å; S501-D503 PolarHBondContact O-N 3.16Å; S501-L504 PolarHBondContact O-N 3.28Å; S501-L504 VanDerWaalsContact O-N 3.13Å; S501-W505 VanDerWaalsContact O-CB 3.3Å; S501-W505 WeakPolarHBondContact O-CB 3.44Å; S501-W505 PolarHBondContact O-N 3.4Å
502P87.2Confident89.4Confident95 Ų9537.2 Ų37.262%0.61720%0.195SC*.Hα-helixtrans-57.8-38.5-165.321.5-33.5000113.5L500 L506L500-P502 WeakPolarHBondContact O-CD 3.36Å; P502-L506 WeakPolarHBondContact O-CB 3.36Å; P502-L506 PolarHBondContact O-N 3.22Å
503D87.6Confident89.3Confident88 Ų8835.2 Ų35.247%0.47119%0.187SC..Hα-helixtrans-66.4-45.9179.7-61.7-23.9000112S501 L507 Q546S501-D503 VanDerWaalsContact C-N 3.29Å; S501-D503 PolarHBondContact O-N 3.16Å; D503-L507 VanDerWaalsContact O-CG 3.31Å; D503-L507 WeakPolarHBondContact O-CG 3.4Å; D503-L507 PolarHBondContact O-N 3.11Å; D503-Q546 HydrophobicContact CB-CG 3.8Å; D503-Q546 PolarHBondContact OD2-NE2 3.49Å
504L87.9Confident89Confident1 Ų136.6 Ų36.61%0.00520%0.195CC..Hα-helixtrans-70.2-40.8178.7-68.8170.8000111.2F498 S501 L506 L507 I508 F543 Q546 D550 V554F498-L504 HydrophobicContact CB-CB 4.39Å; F498-L504 HydrophobicContact CD1-CD1 4.15Å; S501-L504 PolarHBondContact O-N 3.28Å; S501-L504 VanDerWaalsContact O-N 3.13Å; L504-L506 VanDerWaalsContact C-N 3.35Å; L504-L506 PolarHBondContact O-N 2.99Å; L504-L507 PolarHBondContact O-N 2.91Å; L504-I508 WeakPolarHBondContact O-CG1 3.33Å; L504-I508 PolarHBondContact O-N 2.82Å; L504-F543 HydrophobicContact CD2-CD2 4.43Å; L504-F543 HydrophobicContact CD2-CE2 4.16Å; L504-Q546 HydrophobicContact CD2-CB 4.05Å; L504-Q546 HydrophobicContact CD2-CG 3.82Å; L504-Q546 HydrophobicContact CG-CG 4.08Å; L504-D550 HydrophobicContact CD1-CB 4.2Å; L504-V554 HydrophobicContact CD1-CG2 3.36Å; L504-V554 HydrophobicContact CD2-CG2 4.35Å
505W88.6Confident88.9Confident62 Ų6236 Ų3624%0.23519%0.192CC..Hα-helixtrans-56.4-49.5176.2178.2-101000111.3F412 I499 S501 L507 I508 D509F412-W505 HydrophobicContact CB-CH2 3.67Å; F412-W505 HydrophobicContact CB-CZ3 4.13Å; F412-W505 HydrophobicContact CD1-CZ3 4.17Å; F412-W505 HydrophobicContact CD2-CE3 4.23Å; F412-W505 AromaticContact CD2-CH2 3.18Å; F412-W505 HydrophobicContact CD2-CH2 3.18Å; F412-W505 HydrophobicContact CD2-CZ2 4.31Å; F412-W505 AromaticContact CD2-CZ3 3.1Å; F412-W505 HydrophobicContact CD2-CZ3 3.1Å; F412-W505 HydrophobicContact CE1-CZ3 4.32Å; F412-W505 HydrophobicContact CE2-CE3 4.09Å; F412-W505 AromaticContact CE2-CH2 3.88Å; F412-W505 HydrophobicContact CE2-CH2 3.88Å; F412-W505 AromaticContact CE2-CZ3 3.32Å; F412-W505 HydrophobicContact CE2-CZ3 3.32Å; F412-W505 AromaticContact CG-CH2 3.56Å; F412-W505 HydrophobicContact CG-CH2 3.56Å; F412-W505 AromaticContact CG-CZ3 3.53Å; F412-W505 HydrophobicContact CG-CZ3 3.53Å; F412-W505 AromaticContact CZ-CZ3 3.91Å; F412-W505 HydrophobicContact CZ-CZ3 3.91Å; I499-W505 HydrophobicContact CB-CE3 4.26Å; I499-W505 HydrophobicContact CB-CZ3 4.19Å; I499-W505 HydrophobicContact CD1-CZ3 4.37Å; I499-W505 HydrophobicContact CG1-CE3 3.86Å; I499-W505 HydrophobicContact CG1-CH2 3.88Å; I499-W505 HydrophobicContact CG1-CZ3 3.33Å; S501-W505 VanDerWaalsContact O-CB 3.3Å; S501-W505 WeakPolarHBondContact O-CB 3.44Å; S501-W505 PolarHBondContact O-N 3.4Å; W505-L507 VanDerWaalsContact C-N 3.29Å; W505-L507 PolarHBondContact O-N 3.23Å; W505-I508 PolarHBondContact O-N 3.34Å; W505-D509 VanDerWaalsContact O-CB 3.28Å; W505-D509 WeakPolarHBondContact O-CB 3.45Å; W505-D509 PolarHBondContact O-N 3.03Å
506L89.7Confident88.7Confident91 Ų9135.9 Ų35.948%0.47619%0.189SC..Hα-helixtrans-59-40.6178.3-177.765.5000112P502 L504 D509 Q510P502-L506 WeakPolarHBondContact O-CB 3.36Å; P502-L506 PolarHBondContact O-N 3.22Å; L504-L506 VanDerWaalsContact C-N 3.35Å; L504-L506 PolarHBondContact O-N 2.99Å; L506-D509 PolarHBondContact O-N 3.01Å; L506-Q510 WeakPolarHBondContact O-CB 3.42Å; L506-Q510 VanDerWaalsContact O-CG 3.23Å; L506-Q510 WeakPolarHBondContact O-CG 3.42Å; L506-Q510 PolarHBondContact O-N 3.06Å
507L90Very high88.5Confident21 Ų2137.5 Ų37.511%0.1120%0.2CC..Hα-helixtrans-69.4-39179-66.9169.6000112.4D503 L504 W505 L511 L539 F543 Q546D503-L507 VanDerWaalsContact O-CG 3.31Å; D503-L507 WeakPolarHBondContact O-CG 3.4Å; D503-L507 PolarHBondContact O-N 3.11Å; L504-L507 PolarHBondContact O-N 2.91Å; W505-L507 VanDerWaalsContact C-N 3.29Å; W505-L507 PolarHBondContact O-N 3.23Å; L507-L511 WeakPolarHBondContact O-CB 3.43Å; L507-L511 PolarHBondContact O-N 3.18Å; L507-L539 HydrophobicContact CD2-CD2 4.24Å; L507-F543 HydrophobicContact CB-CD2 4.01Å; L507-F543 HydrophobicContact CD1-CB 4.34Å; L507-F543 HydrophobicContact CD1-CD2 4.37Å; L507-Q546 HydrophobicContact CD1-CB 4.28Å
508I90.3Very high88.4Confident2 Ų237.7 Ų37.71%0.0120%0.2CC..Hα-helixtrans-68-40.3174.9-63.8167.8000110.2F412 F498 L504 W505 L511 M512 F543F412-I508 HydrophobicContact CE2-CG2 3.83Å; F412-I508 HydrophobicContact CZ-CG2 4.24Å; F498-I508 HydrophobicContact CB-CD1 4.27Å; F498-I508 HydrophobicContact CD2-CD1 3.9Å; F498-I508 HydrophobicContact CG-CD1 4.43Å; L504-I508 WeakPolarHBondContact O-CG1 3.33Å; L504-I508 PolarHBondContact O-N 2.82Å; W505-I508 PolarHBondContact O-N 3.34Å; I508-L511 WeakPolarHBondContact O-CB 3.42Å; I508-L511 PolarHBondContact O-N 2.98Å; I508-M512 HydrophobicContact CG2-CE 4.1Å; I508-M512 HydrophobicContact CG2-SD 4.44Å; I508-M512 WeakPolarHBondContact O-CG 3.37Å; I508-M512 PolarHBondContact O-N 3.41Å; I508-F543 HydrophobicContact CD1-CE2 4.23Å; I508-F543 HydrophobicContact CG1-CE2 3.79Å
509D89.6Confident88Confident42 Ų4240.9 Ų40.923%0.22522%0.215CC..Hα-helixtrans-59.7-47.9175.4-176.963.1000111.6R415 W505 L506 L511 M512 F513R415-D509 IonicContact CZ-OD1 3.95Å; R415-D509 IonicContact NH1-OD1 2.79Å; R415-D509 PolarHBondContact NH1-OD1 3.34Å; R415-D509 IonicContact NH2-OD1 2.92Å; R415-D509 PolarHBondContact NH2-OD1 3.21Å; W505-D509 VanDerWaalsContact O-CB 3.28Å; W505-D509 WeakPolarHBondContact O-CB 3.45Å; W505-D509 PolarHBondContact O-N 3.03Å; L506-D509 PolarHBondContact O-N 3.01Å; D509-L511 VanDerWaalsContact C-N 3.32Å; D509-L511 PolarHBondContact O-N 3.37Å; D509-M512 PolarHBondContact O-N 2.98Å; D509-F513 WeakPolarHBondContact O-CB 3.44Å; D509-F513 PolarHBondContact O-N 2.89Å
510Q89.3Confident87.7Confident76 Ų7643.1 Ų43.136%0.35525%0.246SC..Hα-helixtrans-61.3-38.6174.7-75.3173.1-1400112.3L506 T514 L539L506-Q510 WeakPolarHBondContact O-CB 3.42Å; L506-Q510 VanDerWaalsContact O-CG 3.23Å; L506-Q510 WeakPolarHBondContact O-CG 3.42Å; L506-Q510 PolarHBondContact O-N 3.06Å; Q510-T514 WeakPolarHBondContact O-CB 3.09Å; Q510-T514 PolarHBondContact O-N 3.31Å; Q510-T514 PolarHBondContact O-OG1 3.48Å; Q510-L539 HydrophobicContact CB-CD1 4.47Å; Q510-L539 HydrophobicContact CB-CD2 3.79Å; Q510-L539 HydrophobicContact CG-CD2 4.5Å
511L90.7Very high87.5Confident9 Ų941.8 Ų41.85%0.04724%0.237CC..Hα-helixtrans-63.1-48.4175.6-172.683.9000111.2L447 I450 I451 L454 L507 I508 D509 T514 C515 L536L447-L511 HydrophobicContact CD1-CD1 3.96Å; L447-L511 HydrophobicContact CD1-CG 4.46Å; I450-L511 HydrophobicContact CG2-CD1 4.31Å; I450-L511 HydrophobicContact CG2-CD2 3.57Å; I451-L511 HydrophobicContact CD1-CD2 3.45Å; I451-L511 VanDerWaalsContact CD1-CD2 3.45Å; I451-L511 HydrophobicContact CD1-CG 3.95Å; I451-L511 HydrophobicContact CG1-CD2 4.19Å; L454-L511 HydrophobicContact CD1-CD2 3.46Å; L454-L511 VanDerWaalsContact CD1-CD2 3.46Å; L507-L511 WeakPolarHBondContact O-CB 3.43Å; L507-L511 PolarHBondContact O-N 3.18Å; I508-L511 WeakPolarHBondContact O-CB 3.42Å; I508-L511 PolarHBondContact O-N 2.98Å; D509-L511 VanDerWaalsContact C-N 3.32Å; D509-L511 PolarHBondContact O-N 3.37Å; L511-T514 WeakPolarHBondContact O-CB 3.45Å; L511-T514 PolarHBondContact O-N 2.94Å; L511-C515 PolarHBondContact O-N 3.41Å; L511-C515 VanDerWaalsContact O-N 3.11Å; L511-C515 PolarHBondContact O-SG 3.04Å; L511-L536 HydrophobicContact CD1-CD1 3.73Å
512M90.8Very high87.2Confident1 Ų145.2 Ų45.21%0.00526%0.255CS..Hα-helixtrans-64.4-42.1177.3-68.3-175.8-59.300111.6F412 R415 L416 I451 I508 D509 T514 C515 E516F412-M512 HydrophobicContact CD2-CE 3.99Å; F412-M512 HydrophobicContact CE2-CE 3.98Å; F412-M512 HydrophobicContact CE2-SD 4.45Å; R415-M512 HydrophobicContact CB-CE 4.31Å; R415-M512 HydrophobicContact CB-SD 3.98Å; L416-M512 HydrophobicContact CB-SD 3.86Å; L416-M512 HydrophobicContact CD1-CG 4.19Å; L416-M512 HydrophobicContact CD1-SD 4.06Å; I451-M512 HydrophobicContact CD1-CG 4.47Å; I508-M512 HydrophobicContact CG2-CE 4.1Å; I508-M512 HydrophobicContact CG2-SD 4.44Å; I508-M512 WeakPolarHBondContact O-CG 3.37Å; I508-M512 PolarHBondContact O-N 3.41Å; D509-M512 PolarHBondContact O-N 2.98Å; M512-T514 VanDerWaalsContact C-N 3.31Å; M512-T514 PolarHBondContact O-N 3.15Å; M512-C515 WeakPolarHBondContact O-CA 3.46Å; M512-C515 VanDerWaalsContact O-CB 3.28Å; M512-C515 WeakPolarHBondContact O-CB 3.44Å; M512-C515 PolarHBondContact O-N 3.47Å; M512-E516 WeakPolarHBondContact O-CG 3.33Å; M512-E516 PolarHBondContact O-N 3.04Å
513F87.9Confident86.9Confident72 Ų7241.9 Ų41.932%0.31623%0.231SC..Hα-helixtrans-61.3-40.6175.7-172.6-103.2000111.6D509 C515 E516 C517D509-F513 WeakPolarHBondContact O-CB 3.44Å; D509-F513 PolarHBondContact O-N 2.89Å; F513-C515 VanDerWaalsContact C-N 3.27Å; F513-C515 PolarHBondContact O-N 2.94Å; F513-E516 WeakPolarHBondContact O-CB 3.43Å; F513-E516 PolarHBondContact O-N 3.45Å; F513-E516 VanDerWaalsContact O-N 3.12Å; F513-C517 PolarHBondContact O-N 3.06Å; F513-C517 PolarHBondContact O-SG 3.35Å
514T86.7Confident86.4Confident29 Ų2942.1 Ų42.118%0.17824%0.24CC..Hα-helixtrans-58.7-40.4172.8-56.10000111.1Q510 L511 M512 C517 L518Q510-T514 WeakPolarHBondContact O-CB 3.09Å; Q510-T514 PolarHBondContact O-N 3.31Å; Q510-T514 PolarHBondContact O-OG1 3.48Å; L511-T514 WeakPolarHBondContact O-CB 3.45Å; L511-T514 PolarHBondContact O-N 2.94Å; M512-T514 VanDerWaalsContact C-N 3.31Å; M512-T514 PolarHBondContact O-N 3.15Å; T514-C517 PolarHBondContact O-N 3.32Å; T514-L518 WeakPolarHBondContact O-CG 3.47Å
515C89.9Confident86.2Confident0 Ų046 Ų460%026%0.258CS..Hα-helixtrans-63.3-44.2174-58.10000112.1L422 L511 M512 F513 C517 L518L422-C515 WeakPolarHBondContact CD2-O 3.26Å; L511-C515 PolarHBondContact O-N 3.41Å; L511-C515 VanDerWaalsContact O-N 3.11Å; L511-C515 PolarHBondContact O-SG 3.04Å; M512-C515 WeakPolarHBondContact O-CA 3.46Å; M512-C515 VanDerWaalsContact O-CB 3.28Å; M512-C515 WeakPolarHBondContact O-CB 3.44Å; M512-C515 PolarHBondContact O-N 3.47Å; F513-C515 VanDerWaalsContact C-N 3.27Å; F513-C515 PolarHBondContact O-N 2.94Å; C515-C517 VanDerWaalsContact C-N 3.3Å; C515-C517 PolarHBondContact O-N 3.09Å; C515-L518 VanDerWaalsContact O-CB 3.29Å; C515-L518 WeakPolarHBondContact O-CB 3.42Å; C515-L518 PolarHBondContact O-N 3.32Å
516E86.1Confident85.8Confident21 Ų2147.4 Ų47.410%0.09828%0.275CS..Hα-helixtrans-60.6-38.8178.2-66.5172.8-146.700111.7S377 R415 Y418 M512 F513 L518 E519S377-E516 WeakPolarHBondContact CB-OE2 3.36Å; S377-E516 PolarHBondContact OG-OE1 3.26Å; S377-E516 VanDerWaalsContact OG-OE1 3.06Å; S377-E516 PolarHBondContact OG-OE2 3Å; R415-E516 IonicContact CZ-OE1 3.31Å; R415-E516 IonicContact NE-OE1 2.83Å; R415-E516 PolarHBondContact NE-OE1 3.13Å; R415-E516 VanDerWaalsContact NE-OE1 3.16Å; R415-E516 IonicContact NH2-OE1 2.72Å; Y418-E516 HydrophobicContact CD1-CG 4.28Å; Y418-E516 HydrophobicContact CE1-CG 4.29Å; M512-E516 WeakPolarHBondContact O-CG 3.33Å; M512-E516 PolarHBondContact O-N 3.04Å; F513-E516 WeakPolarHBondContact O-CB 3.43Å; F513-E516 PolarHBondContact O-N 3.45Å; F513-E516 VanDerWaalsContact O-N 3.12Å; E516-L518 PolarHBondContact O-N 3.48Å; E516-E519 WeakPolarHBondContact O-CG 3.25Å; E516-E519 PolarHBondContact O-N 2.87Å
517C85.6Confident85.5Confident68 Ų6846.9 Ų46.946%0.45928%0.276SS..Hα-helixtrans-62.5-20.9174.6-64.60000113.7F513 T514 C515 E519F513-C517 PolarHBondContact O-N 3.06Å; F513-C517 PolarHBondContact O-SG 3.35Å; T514-C517 PolarHBondContact O-N 3.32Å; C515-C517 VanDerWaalsContact C-N 3.3Å; C515-C517 PolarHBondContact O-N 3.09Å; C517-E519 PolarHBondContact O-N 3.38Å
518L86.6Confident85.2Confident4 Ų448.8 Ų48.82%0.02128%0.284CS..G310 helixtrans-70.1-12.2179.7-63.5177.2000114L423 L426 F443 L444 L447 T514 C515 E516 G520 F521 F523L423-L518 HydrophobicContact CD2-CD1 3.81Å; L426-L518 HydrophobicContact CD1-CB 3.73Å; L426-L518 HydrophobicContact CD1-CD1 4.43Å; F443-L518 HydrophobicContact CE1-CD1 4.06Å; F443-L518 HydrophobicContact CE1-CD2 3.99Å; L444-L518 HydrophobicContact CD2-CD1 4.4Å; L447-L518 HydrophobicContact CD2-CD1 3.5Å; T514-L518 WeakPolarHBondContact O-CG 3.47Å; C515-L518 VanDerWaalsContact O-CB 3.29Å; C515-L518 WeakPolarHBondContact O-CB 3.42Å; C515-L518 PolarHBondContact O-N 3.32Å; E516-L518 PolarHBondContact O-N 3.48Å; L518-G520 VanDerWaalsContact C-N 3.34Å; L518-G520 PolarHBondContact O-N 3.06Å; L518-F521 HydrophobicContact CD2-CB 4.14Å; L518-F521 HydrophobicContact CD2-CD1 4.24Å; L518-F521 HydrophobicContact CD2-CD2 4.13Å; L518-F521 HydrophobicContact CD2-CG 3.94Å; L518-F521 WeakPolarHBondContact O-CB 3.36Å; L518-F521 PolarHBondContact O-N 2.67Å; L518-F523 HydrophobicContact CB-CZ 4.41Å; L518-F523 HydrophobicContact CD2-CE1 4.42Å; L518-F523 HydrophobicContact CD2-CZ 4.32Å
519E81.7Confident84.9Confident69 Ų6949 Ų4932%0.32229%0.285SS..G310 helixtrans-66.9-34.3179.2-67.3-169.9151.200113.9L327 K333 Y418 L422 E516 C517L327-E519 WeakPolarHBondContact CD2-OE1 3.35Å; K333-E519 VanDerWaalsContact NZ-CD 3.3Å; K333-E519 IonicContact NZ-OE1 3.75Å; K333-E519 PolarHBondContact NZ-OE1 2.97Å; K333-E519 IonicContact NZ-OE2 3.81Å; K333-E519 PolarHBondContact NZ-OE2 3.1Å; Y418-E519 WeakPolarHBondContact CE1-OE1 3.36Å; Y418-E519 PolarHBondContact OH-OE1 2.73Å; Y418-E519 PolarHBondContact OH-OE2 3.08Å; L422-E519 HydrophobicContact CD1-CG 3.57Å; L422-E519 HydrophobicContact CD2-CG 3.46Å; L422-E519 VanDerWaalsContact CD2-CG 3.46Å; L422-E519 HydrophobicContact CG-CG 4.16Å; E516-E519 WeakPolarHBondContact O-CG 3.25Å; E516-E519 PolarHBondContact O-N 2.87Å; C517-E519 PolarHBondContact O-N 3.38Å
520G80Confident84.6Confident78 Ų7850 Ų5080%0.80430%0.296SS*.G310 helixtrans-101.87.917700000113.3L518L518-G520 VanDerWaalsContact C-N 3.34Å; L518-G520 PolarHBondContact O-N 3.06Å
521F83.3Confident84.5Confident40 Ų4050.5 Ų50.518%0.17531%0.306CS..  trans-83.3130.2-169.4-170.2-87.7000111.7L518 F523 Q528 I529 A532L518-F521 HydrophobicContact CD2-CB 4.14Å; L518-F521 HydrophobicContact CD2-CD1 4.24Å; L518-F521 HydrophobicContact CD2-CD2 4.13Å; L518-F521 HydrophobicContact CD2-CG 3.94Å; L518-F521 WeakPolarHBondContact O-CB 3.36Å; L518-F521 PolarHBondContact O-N 2.67Å; F521-F523 AromaticContact CD1-CD1 3.79Å; F521-F523 HydrophobicContact CD1-CD1 3.79Å; F521-F523 HydrophobicContact CD1-CD2 4.42Å; F521-F523 AromaticContact CD1-CE1 3.84Å; F521-F523 HydrophobicContact CD1-CE1 3.84Å; F521-F523 HydrophobicContact CD1-CE2 4.44Å; F521-F523 HydrophobicContact CD1-CG 4.12Å; F521-F523 HydrophobicContact CD1-CZ 4.17Å; F521-F523 AromaticContact CE1-CD1 3.97Å; F521-F523 HydrophobicContact CE1-CD1 3.97Å; F521-F523 HydrophobicContact CE1-CE1 4.18Å; F521-F523 PolarHBondContact O-N 3.41Å; F521-Q528 HydrophobicContact CE1-CB 4.1Å; F521-Q528 HydrophobicContact CE2-CB 3.68Å; F521-Q528 HydrophobicContact CZ-CB 3.44Å; F521-Q528 VanDerWaalsContact CZ-CB 3.44Å; F521-Q528 WeakPolarHBondContact CZ-O 3.35Å; F521-I529 HydrophobicContact CE1-CG1 3.77Å; F521-I529 HydrophobicContact CZ-CG1 4.19Å; F521-A532 HydrophobicContact CE2-CB 4.2Å; F521-A532 HydrophobicContact CZ-CB 4.02Å
522D81.9Confident84.3Confident81 Ų8150.7 Ų50.743%0.43331%0.309SS..  trans-88.397178-170.3-7.9000110.3S524 E525D522-S524 PolarHBondContact O-N 2.92Å; D522-S524 VanDerWaalsContact OD1-CB 3.27Å; D522-S524 WeakPolarHBondContact OD1-CB 3.48Å; D522-S524 PolarHBondContact OD1-N 3.35Å; D522-S524 PolarHBondContact OD1-OG 3.09Å; D522-S524 PolarHBondContact OD2-OG 3.47Å; D522-S524 VanDerWaalsContact OD2-OG 3.13Å; D522-E525 PolarHBondContact O-N 3.29Å
523F81.4Confident84.1Confident25 Ų2552.3 Ų52.311%0.1132%0.315CS..THydrogen-bonded Turntrans-63.7-3.9176.7-67.2-74.4000114.5L426 Q430 T440 L444 L518 F521 I529L426-F523 HydrophobicContact CD1-CZ 4.25Å; L426-F523 HydrophobicContact CD2-CE2 4.09Å; Q430-F523 VanDerWaalsContact NE2-CD2 3.31Å; T440-F523 HydrophobicContact CG2-CB 4.07Å; T440-F523 HydrophobicContact CG2-CD1 3.5Å; T440-F523 HydrophobicContact CG2-CE1 4.31Å; T440-F523 HydrophobicContact CG2-CG 4.11Å; L444-F523 HydrophobicContact CD1-CE1 4.24Å; L444-F523 HydrophobicContact CD1-CZ 4.49Å; L444-F523 HydrophobicContact CD2-CE1 3.98Å; L444-F523 HydrophobicContact CD2-CZ 4.07Å; L444-F523 HydrophobicContact CG-CE1 4.27Å; L518-F523 HydrophobicContact CB-CZ 4.41Å; L518-F523 HydrophobicContact CD2-CE1 4.42Å; L518-F523 HydrophobicContact CD2-CZ 4.32Å; F521-F523 AromaticContact CD1-CD1 3.79Å; F521-F523 HydrophobicContact CD1-CD1 3.79Å; F521-F523 HydrophobicContact CD1-CD2 4.42Å; F521-F523 AromaticContact CD1-CE1 3.84Å; F521-F523 HydrophobicContact CD1-CE1 3.84Å; F521-F523 HydrophobicContact CD1-CE2 4.44Å; F521-F523 HydrophobicContact CD1-CG 4.12Å; F521-F523 HydrophobicContact CD1-CZ 4.17Å; F521-F523 AromaticContact CE1-CD1 3.97Å; F521-F523 HydrophobicContact CE1-CD1 3.97Å; F521-F523 HydrophobicContact CE1-CE1 4.18Å; F521-F523 PolarHBondContact O-N 3.41Å; F523-I529 WeakPolarHBondContact O-CD1 3.42Å
524S77.3Confident84Confident93 Ų9352.9 Ų52.965%0.6532%0.322SS*.THydrogen-bonded Turntrans-85.7-16172.574.90000113.3D522 P526D522-S524 PolarHBondContact O-N 2.92Å; D522-S524 VanDerWaalsContact OD1-CB 3.27Å; D522-S524 WeakPolarHBondContact OD1-CB 3.48Å; D522-S524 PolarHBondContact OD1-N 3.35Å; D522-S524 PolarHBondContact OD1-OG 3.09Å; D522-S524 PolarHBondContact OD2-OG 3.47Å; D522-S524 VanDerWaalsContact OD2-OG 3.13Å; S524-P526 WeakPolarHBondContact O-CD 3.38Å
525E83.2Confident84.1Confident81 Ų8153.6 Ų53.638%0.37933%0.331SS..  trans-91.3110.2-177.8-153.4-171153.400111.5D522 T527 Q528 I529D522-E525 PolarHBondContact O-N 3.29Å; E525-T527 VanDerWaalsContact C-N 3.31Å; E525-T527 WeakPolarHBondContact CG-OG1 3.43Å; E525-T527 PolarHBondContact O-N 3.01Å; E525-T527 PolarHBondContact OE1-OG1 2.93Å; E525-Q528 HydrophobicContact CB-CB 4.3Å; E525-Q528 HydrophobicContact CB-CG 3.93Å; E525-Q528 HydrophobicContact CG-CG 4.24Å; E525-Q528 PolarHBondContact O-N 2.74Å; E525-Q528 VanDerWaalsContact OE2-CD 3.32Å; E525-Q528 WeakPolarHBondContact OE2-CG 3.42Å; E525-Q528 PolarHBondContact OE2-NE2 2.96Å; E525-I529 PolarHBondContact O-N 3.32Å
526P79.5Confident84Confident92 Ų9253.7 Ų53.760%0.59733%0.331SS*.Hα-helixtrans-68-29.1-172.625.7-34.1000113.5S524 I529 S530S524-P526 WeakPolarHBondContact O-CD 3.38Å; P526-I529 PolarHBondContact O-N 3.25Å; P526-S530 WeakPolarHBondContact O-CB 3.41Å; P526-S530 PolarHBondContact O-N 2.82Å
527T83.6Confident84Confident80 Ų8057.5 Ų57.549%0.49135%0.345SS..Hα-helixtrans-62.9-45.1174.843.70000111.2E525 S530 C531E525-T527 VanDerWaalsContact C-N 3.31Å; E525-T527 WeakPolarHBondContact CG-OG1 3.43Å; E525-T527 PolarHBondContact O-N 3.01Å; E525-T527 PolarHBondContact OE1-OG1 2.93Å; T527-S530 PolarHBondContact O-N 3Å; T527-C531 PolarHBondContact O-N 3.24Å; T527-C531 PolarHBondContact O-SG 3.26Å
528Q83.9Confident84.1Confident61 Ų6158.8 Ų58.829%0.28534%0.344SS..Hα-helixtrans-62.5-46.1178-64.6-17010.500110.7F521 E525 S530 C531 A532F521-Q528 HydrophobicContact CE1-CB 4.1Å; F521-Q528 HydrophobicContact CE2-CB 3.68Å; F521-Q528 HydrophobicContact CZ-CB 3.44Å; F521-Q528 VanDerWaalsContact CZ-CB 3.44Å; F521-Q528 WeakPolarHBondContact CZ-O 3.35Å; E525-Q528 HydrophobicContact CB-CB 4.3Å; E525-Q528 HydrophobicContact CB-CG 3.93Å; E525-Q528 HydrophobicContact CG-CG 4.24Å; E525-Q528 PolarHBondContact O-N 2.74Å; E525-Q528 VanDerWaalsContact OE2-CD 3.32Å; E525-Q528 WeakPolarHBondContact OE2-CG 3.42Å; E525-Q528 PolarHBondContact OE2-NE2 2.96Å; Q528-S530 PolarHBondContact O-N 3.43Å; Q528-C531 PolarHBondContact O-N 3.49Å; Q528-A532 WeakPolarHBondContact O-CB 3.39Å; Q528-A532 PolarHBondContact O-N 3.01Å
529I83.8Confident84.2Confident7 Ų759.8 Ų59.84%0.03635%0.349CS..Hα-helixtrans-63.5-41.4180-66.8160.2000111.3I439 T440 F521 F523 E525 P526 A532 W533I439-I529 HydrophobicContact CG2-CG2 3.95Å; T440-I529 HydrophobicContact CG2-CD1 4.29Å; T440-I529 WeakPolarHBondContact OG1-CD1 3.23Å; F521-I529 HydrophobicContact CE1-CG1 3.77Å; F521-I529 HydrophobicContact CZ-CG1 4.19Å; F523-I529 WeakPolarHBondContact O-CD1 3.42Å; E525-I529 PolarHBondContact O-N 3.32Å; P526-I529 PolarHBondContact O-N 3.25Å; I529-A532 PolarHBondContact O-N 3.43Å; I529-W533 WeakPolarHBondContact O-CB 3.4Å; I529-W533 PolarHBondContact O-N 3.18Å
530S84.2Confident84.4Confident64 Ų6456.8 Ų56.845%0.44834%0.335SS..Hα-helixtrans-60.5-47.6175.6-168.60000111.3P526 T527 Q528 A532 W533 D534P526-S530 WeakPolarHBondContact O-CB 3.41Å; P526-S530 PolarHBondContact O-N 2.82Å; T527-S530 PolarHBondContact O-N 3Å; Q528-S530 PolarHBondContact O-N 3.43Å; S530-A532 VanDerWaalsContact C-N 3.34Å; S530-A532 PolarHBondContact O-N 2.59Å; S530-W533 WeakPolarHBondContact O-CB 3.47Å; S530-W533 PolarHBondContact O-N 2.61Å; S530-D534 PolarHBondContact O-N 2.93Å
531C86.5Confident84.7Confident86 Ų8654.8 Ų54.858%0.58130%0.304SS*.Hα-helixtrans-61.2-41.8177.3-70.30000112.2T527 Q528 D534 A535T527-C531 PolarHBondContact O-N 3.24Å; T527-C531 PolarHBondContact O-SG 3.26Å; Q528-C531 PolarHBondContact O-N 3.49Å; C531-D534 PolarHBondContact O-N 2.93Å; C531-A535 WeakPolarHBondContact O-CB 3.12Å; C531-A535 PolarHBondContact O-N 2.94Å
532A86.6Confident84.9Confident13 Ų1355.1 Ų55.111%0.10731%0.312CS..Hα-helixtrans-65-3917700000112F443 F521 Q528 I529 S530 L536F443-A532 HydrophobicContact CE1-CB 4.43Å; F443-A532 HydrophobicContact CE2-CB 4.01Å; F443-A532 HydrophobicContact CZ-CB 3.8Å; F521-A532 HydrophobicContact CE2-CB 4.2Å; F521-A532 HydrophobicContact CZ-CB 4.02Å; Q528-A532 WeakPolarHBondContact O-CB 3.39Å; Q528-A532 PolarHBondContact O-N 3.01Å; I529-A532 PolarHBondContact O-N 3.43Å; S530-A532 VanDerWaalsContact C-N 3.34Å; S530-A532 PolarHBondContact O-N 2.59Å; A532-L536 WeakPolarHBondContact O-CB 3.36Å; A532-L536 PolarHBondContact O-N 3.48Å
533W86.6Confident85.1Confident34 Ų3451.9 Ų51.913%0.12929%0.294CS..Hα-helixtrans-63.1-45174-107.8120.9000112.5I439 F443 V446 I529 S530 L536 R537I439-W533 PolarHBondContact O-NE1 3.15Å; F443-W533 HydrophobicContact CB-CZ2 4.17Å; F443-W533 AromaticContact CD2-CD1 3.92Å; F443-W533 AromaticContact CD2-CD2 3.86Å; F443-W533 HydrophobicContact CD2-CD2 3.86Å; F443-W533 AromaticContact CD2-CE2 3.94Å; F443-W533 HydrophobicContact CD2-CE3 4.44Å; F443-W533 AromaticContact CD2-CG 3.89Å; F443-W533 HydrophobicContact CD2-CG 3.89Å; F443-W533 AromaticContact CD2-NE1 3.98Å; V446-W533 HydrophobicContact CB-CH2 4.1Å; V446-W533 HydrophobicContact CG1-CH2 4.31Å; V446-W533 HydrophobicContact CG2-CH2 3.92Å; I529-W533 WeakPolarHBondContact O-CB 3.4Å; I529-W533 PolarHBondContact O-N 3.18Å; S530-W533 WeakPolarHBondContact O-CB 3.47Å; S530-W533 PolarHBondContact O-N 2.61Å; W533-L536 HydrophobicContact CZ3-CD2 4.43Å; W533-L536 PolarHBondContact O-N 2.86Å; W533-R537 WeakPolarHBondContact O-CB 3.41Å; W533-R537 PolarHBondContact O-N 3.42Å
534D86.4Confident85.2Confident84 Ų8451.2 Ų51.245%0.44929%0.291SS..Hα-helixtrans-66-41.5178.5-71.9-29.7000111.5S530 C531 R537 E538S530-D534 PolarHBondContact O-N 2.93Å; C531-D534 PolarHBondContact O-N 2.93Å; D534-R537 WeakPolarHBondContact O-CB 3.47Å; D534-R537 PolarHBondContact O-N 2.95Å; D534-E538 PolarHBondContact O-N 3.49Å
535A87.8Confident85.6Confident45 Ų4553.5 Ų53.537%0.37229%0.285SS..Hα-helixtrans-60-49173.900000111.7C531 R537 E538 L539C531-A535 WeakPolarHBondContact O-CB 3.12Å; C531-A535 PolarHBondContact O-N 2.94Å; A535-R537 VanDerWaalsContact C-N 3.29Å; A535-R537 PolarHBondContact O-N 3.05Å; A535-E538 PolarHBondContact O-N 2.95Å; A535-L539 WeakPolarHBondContact O-CB 3.47Å; A535-L539 VanDerWaalsContact O-CG 3.28Å; A535-L539 WeakPolarHBondContact O-CG 3.48Å; A535-L539 PolarHBondContact O-N 2.62Å
536L88.2Confident85.5Confident2 Ų250.7 Ų50.71%0.0127%0.272CS..Hα-helixtrans-60-40.3176.7-178.661.1000111.6F443 V446 L447 I450 L511 A532 W533 L539 M540F443-L536 HydrophobicContact CD2-CD2 4.12Å; F443-L536 HydrophobicContact CE2-CB 4.19Å; F443-L536 HydrophobicContact CE2-CD2 3.79Å; V446-L536 HydrophobicContact CG1-CD2 4.22Å; L447-L536 HydrophobicContact CB-CD2 4.41Å; L447-L536 HydrophobicContact CD1-CD1 4Å; I450-L536 HydrophobicContact CD1-CD1 4.04Å; L511-L536 HydrophobicContact CD1-CD1 3.73Å; A532-L536 WeakPolarHBondContact O-CB 3.36Å; A532-L536 PolarHBondContact O-N 3.48Å; W533-L536 HydrophobicContact CZ3-CD2 4.43Å; W533-L536 PolarHBondContact O-N 2.86Å; L536-L539 PolarHBondContact O-N 3.44Å; L536-M540 HydrophobicContact CD1-CG 4.11Å; L536-M540 HydrophobicContact CG-CG 4.45Å; L536-M540 WeakPolarHBondContact O-CB 3.47Å; L536-M540 VanDerWaalsContact O-CG 3.29Å; L536-M540 WeakPolarHBondContact O-CG 3.44Å; L536-M540 PolarHBondContact O-N 2.86Å
537R86Confident85.5Confident100 Ų10046.3 Ų46.338%0.37724%0.244SC..Hα-helixtrans-61.3-48.2178.5-169-171.9-65.2-120.1-0.2111.7W533 D534 A535 M540 K541 L570W533-R537 WeakPolarHBondContact O-CB 3.41Å; W533-R537 PolarHBondContact O-N 3.42Å; D534-R537 WeakPolarHBondContact O-CB 3.47Å; D534-R537 PolarHBondContact O-N 2.95Å; A535-R537 VanDerWaalsContact C-N 3.29Å; A535-R537 PolarHBondContact O-N 3.05Å; R537-M540 PolarHBondContact O-N 3.03Å; R537-K541 WeakPolarHBondContact O-CG 3.49Å; R537-K541 PolarHBondContact O-N 3.41Å; R537-L570 HydrophobicContact CG-CD1 4.25Å; R537-L570 HydrophobicContact CG-CD2 3.63Å; R537-L570 HydrophobicContact CG-CG 4.27Å
538E87.3Confident85.2Confident95 Ų9547 Ų4744%0.44424%0.242SC..Hα-helixtrans-70.4-36.1179.6-68.7-53.4124.300112.5D534 A535 K541 S542D534-E538 PolarHBondContact O-N 3.49Å; A535-E538 PolarHBondContact O-N 2.95Å; E538-K541 PolarHBondContact O-N 3.26Å; E538-K541 WeakPolarHBondContact OE1-CD 3.23Å; E538-K541 IonicContact OE1-NZ 2.73Å; E538-K541 PolarHBondContact OE1-NZ 2.85Å; E538-S542 WeakPolarHBondContact O-CB 3.37Å; E538-S542 PolarHBondContact O-N 3.4Å; E538-S542 PolarHBondContact O-OG 2.74Å
539L89.1Confident85.1Confident25 Ų2551.2 Ų51.213%0.13126%0.259CS..Hα-helixtrans-60.4-48.9172-75.4173.3000111.3L507 Q510 A535 L536 K541 S542 F543L507-L539 HydrophobicContact CD2-CD2 4.24Å; Q510-L539 HydrophobicContact CB-CD1 4.47Å; Q510-L539 HydrophobicContact CB-CD2 3.79Å; Q510-L539 HydrophobicContact CG-CD2 4.5Å; A535-L539 WeakPolarHBondContact O-CB 3.47Å; A535-L539 VanDerWaalsContact O-CG 3.28Å; A535-L539 WeakPolarHBondContact O-CG 3.48Å; A535-L539 PolarHBondContact O-N 2.62Å; L536-L539 PolarHBondContact O-N 3.44Å; L539-K541 PolarHBondContact O-N 2.93Å; L539-S542 PolarHBondContact O-N 3.35Å; L539-F543 WeakPolarHBondContact O-CB 3.48Å; L539-F543 PolarHBondContact O-N 3.23Å
540M86.8Confident84.8Confident6 Ų653.2 Ų53.23%0.0327%0.27CS..Hα-helixtrans-65.8-39.9179.3-69.6-54.3-60.200112I450 L536 R537 S542 F543 F544 F567I450-M540 HydrophobicContact CD1-CE 4.2Å; I450-M540 HydrophobicContact CD1-CG 4.05Å; I450-M540 HydrophobicContact CD1-SD 3.7Å; I450-M540 HydrophobicContact CG1-CE 4.36Å; I450-M540 HydrophobicContact CG1-SD 4.33Å; I450-M540 HydrophobicContact CG2-SD 4.2Å; L536-M540 HydrophobicContact CD1-CG 4.11Å; L536-M540 HydrophobicContact CG-CG 4.45Å; L536-M540 WeakPolarHBondContact O-CB 3.47Å; L536-M540 VanDerWaalsContact O-CG 3.29Å; L536-M540 WeakPolarHBondContact O-CG 3.44Å; L536-M540 PolarHBondContact O-N 2.86Å; R537-M540 PolarHBondContact O-N 3.03Å; M540-S542 VanDerWaalsContact C-N 3.29Å; M540-S542 PolarHBondContact O-N 3.48Å; M540-F543 PolarHBondContact O-N 3.35Å; M540-F544 HydrophobicContact CE-CD2 4.06Å; M540-F544 HydrophobicContact CE-CE2 3.51Å; M540-F544 VanDerWaalsContact O-CD2 3.31Å; M540-F544 WeakPolarHBondContact O-CD2 3.45Å; M540-F544 PolarHBondContact O-N 3.49Å; M540-F567 HydrophobicContact CB-CD1 4.08Å; M540-F567 HydrophobicContact CB-CE1 4.15Å; M540-F567 HydrophobicContact CE-CD1 4.18Å; M540-F567 HydrophobicContact CE-CE1 4.1Å; M540-F567 HydrophobicContact CE-CG 4.43Å; M540-F567 HydrophobicContact CE-CZ 4.27Å; M540-F567 HydrophobicContact CG-CD1 4.3Å; M540-F567 HydrophobicContact CG-CE1 3.9Å
541K85.8Confident84.2Confident36 Ų3656.4 Ų56.416%0.15728%0.275CS..Hα-helixtrans-58.1-43.2172.8-76.4174.7-175169.10111.9R537 E538 L539 R545 L570 V571R537-K541 WeakPolarHBondContact O-CG 3.49Å; R537-K541 PolarHBondContact O-N 3.41Å; E538-K541 PolarHBondContact O-N 3.26Å; E538-K541 WeakPolarHBondContact OE1-CD 3.23Å; E538-K541 IonicContact OE1-NZ 2.73Å; E538-K541 PolarHBondContact OE1-NZ 2.85Å; L539-K541 PolarHBondContact O-N 2.93Å; K541-R545 WeakPolarHBondContact O-CB 3.38Å; K541-R545 VanDerWaalsContact O-CG 3.25Å; K541-R545 WeakPolarHBondContact O-CG 3.29Å; K541-R545 PolarHBondContact O-N 3.34Å; K541-L570 HydrophobicContact CG-CD2 4.02Å; K541-V571 HydrophobicContact CG-CG2 4.26Å
542S87.8Confident83.5Confident47 Ų4761.8 Ų61.833%0.32929%0.292SS..Hα-helixtrans-66.6-41.6178-58.30000111.5E538 L539 M540 R545 Q546E538-S542 WeakPolarHBondContact O-CB 3.37Å; E538-S542 PolarHBondContact O-N 3.4Å; E538-S542 PolarHBondContact O-OG 2.74Å; L539-S542 PolarHBondContact O-N 3.35Å; M540-S542 VanDerWaalsContact C-N 3.29Å; M540-S542 PolarHBondContact O-N 3.48Å; S542-R545 PolarHBondContact O-N 3.11Å; S542-Q546 WeakPolarHBondContact O-CB 3.42Å; S542-Q546 PolarHBondContact O-N 3.08Å
543F86.3Confident82.7Confident13 Ų1365.6 Ų65.66%0.05731%0.306CS..Hα-helixtrans-61.3-47.7177-169.1-93000112.5L504 L507 I508 L539 M540 Q546 G547 V554 L557 L558 L561L504-F543 HydrophobicContact CD2-CD2 4.43Å; L504-F543 HydrophobicContact CD2-CE2 4.16Å; L507-F543 HydrophobicContact CB-CD2 4.01Å; L507-F543 HydrophobicContact CD1-CB 4.34Å; L507-F543 HydrophobicContact CD1-CD2 4.37Å; I508-F543 HydrophobicContact CD1-CE2 4.23Å; I508-F543 HydrophobicContact CG1-CE2 3.79Å; L539-F543 WeakPolarHBondContact O-CB 3.48Å; L539-F543 PolarHBondContact O-N 3.23Å; M540-F543 PolarHBondContact O-N 3.35Å; F543-Q546 PolarHBondContact O-N 3.41Å; F543-G547 PolarHBondContact O-N 3.23Å; F543-V554 HydrophobicContact CE1-CG1 4.39Å; F543-V554 HydrophobicContact CZ-CG1 4.24Å; F543-L557 HydrophobicContact CE1-CD2 4.32Å; F543-L557 HydrophobicContact CZ-CD2 3.79Å; F543-L558 HydrophobicContact CD1-CD2 4.07Å; F543-L558 HydrophobicContact CE1-CD2 3.83Å; F543-L561 HydrophobicContact CD1-CD1 4.26Å; F543-L561 HydrophobicContact CE1-CD1 3.7Å; F543-L561 HydrophobicContact CZ-CD1 4.5Å
544F83.1Confident82.3Confident12 Ų1264 Ų645%0.05330%0.3CS..Hα-helixtrans-66.3-42.7177-85.5-81.2000112.4M540 Q546 G547 E548 L558 L561 N562 F567 V571M540-F544 HydrophobicContact CE-CD2 4.06Å; M540-F544 HydrophobicContact CE-CE2 3.51Å; M540-F544 VanDerWaalsContact O-CD2 3.31Å; M540-F544 WeakPolarHBondContact O-CD2 3.45Å; M540-F544 PolarHBondContact O-N 3.49Å; F544-Q546 VanDerWaalsContact C-N 3.31Å; F544-Q546 PolarHBondContact O-N 3.4Å; F544-G547 PolarHBondContact O-N 3.45Å; F544-E548 WeakPolarHBondContact O-CG 3.49Å; F544-E548 PolarHBondContact O-N 3.02Å; F544-L558 HydrophobicContact CD1-CD2 3.77Å; F544-L558 HydrophobicContact CE1-CB 4.39Å; F544-L558 HydrophobicContact CE1-CD2 3.83Å; F544-L558 HydrophobicContact CG-CD2 4.4Å; F544-L561 HydrophobicContact CZ-CB 4.05Å; F544-N562 HydrophobicContact CE1-CB 3.92Å; F544-N562 HydrophobicContact CZ-CB 4.02Å; F544-F567 HydrophobicContact CD2-CB 3.8Å; F544-F567 HydrophobicContact CD2-CG 4.4Å; F544-F567 HydrophobicContact CE1-CB 4.36Å; F544-F567 HydrophobicContact CE2-CB 3.17Å; F544-F567 HydrophobicContact CE2-CD1 4.17Å; F544-F567 HydrophobicContact CE2-CD2 4.02Å; F544-F567 AromaticContact CE2-CG 3.54Å; F544-F567 HydrophobicContact CE2-CG 3.54Å; F544-F567 HydrophobicContact CZ-CB 3.51Å; F544-F567 HydrophobicContact CZ-CD2 4.2Å; F544-F567 HydrophobicContact CZ-CG 4.05Å; F544-V571 HydrophobicContact CB-CG2 3.87Å; F544-V571 HydrophobicContact CG-CG2 4.37Å
545R84.3Confident81.8Confident140 Ų14062.5 Ų62.553%0.52830%0.299SS..Hα-helixtrans-60.6-39.3175.8-76.9175.1-177.8171.12.5112.5K541 S542K541-R545 WeakPolarHBondContact O-CB 3.38Å; K541-R545 VanDerWaalsContact O-CG 3.25Å; K541-R545 WeakPolarHBondContact O-CG 3.29Å; K541-R545 PolarHBondContact O-N 3.34Å; S542-R545 PolarHBondContact O-N 3.11Å
546Q83.1Confident81.4Confident23 Ų2367 Ų6711%0.10731%0.313CS..Hα-helixtrans-74.9-42177.7-169.364.917.500111.4D503 L504 L507 S542 F543 F544 E548 K549 D550D503-Q546 HydrophobicContact CB-CG 3.8Å; D503-Q546 PolarHBondContact OD2-NE2 3.49Å; L504-Q546 HydrophobicContact CD2-CB 4.05Å; L504-Q546 HydrophobicContact CD2-CG 3.82Å; L504-Q546 HydrophobicContact CG-CG 4.08Å; L507-Q546 HydrophobicContact CD1-CB 4.28Å; S542-Q546 WeakPolarHBondContact O-CB 3.42Å; S542-Q546 PolarHBondContact O-N 3.08Å; F543-Q546 PolarHBondContact O-N 3.41Å; F544-Q546 VanDerWaalsContact C-N 3.31Å; F544-Q546 PolarHBondContact O-N 3.4Å; Q546-E548 PolarHBondContact O-N 3.45Å; Q546-K549 WeakPolarHBondContact O-CA 3.34Å; Q546-K549 WeakPolarHBondContact O-CB 3.19Å; Q546-K549 PolarHBondContact O-N 2.92Å; Q546-D550 PolarHBondContact NE2-OD2 3.35Å; Q546-D550 PolarHBondContact O-N 2.96Å; Q546-D550 VanDerWaalsContact O-N 3.12Å
547G79.4Confident81.1Confident0 Ų067 Ų670%031%0.313CS..Hα-helixtrans-60.7-29.2175.500000113.6F543 F544 K549 D550 K551F543-G547 PolarHBondContact O-N 3.23Å; F544-G547 PolarHBondContact O-N 3.45Å; G547-K549 VanDerWaalsContact C-N 3.28Å; G547-K549 PolarHBondContact O-N 3.35Å; G547-D550 CarbonylContact O-C 3.51Å; G547-D550 PolarHBondContact O-N 2.82Å; G547-K551 PolarHBondContact O-N 3.28Å
548E77.3Confident80.8Confident95 Ų9563.1 Ų63.144%0.44430%0.3SS..THydrogen-bonded Turntrans-68.4-23.5171.3-79.8-175.6171.700114.1F544 Q546 K551F544-E548 WeakPolarHBondContact O-CG 3.49Å; F544-E548 PolarHBondContact O-N 3.02Å; Q546-E548 PolarHBondContact O-N 3.45Å; E548-K551 VanDerWaalsContact O-CE 3.29Å; E548-K551 WeakPolarHBondContact O-CE 3.46Å; E548-K551 WeakPolarHBondContact O-CG 3.49Å
549K80.3Confident80.4Confident149 Ų14961.8 Ų61.865%0.64830%0.304SS*.THydrogen-bonded Turntrans-79.8-40.3171.2-59.2178.1-168.4160.30110.8Q546 G547 K551Q546-K549 WeakPolarHBondContact O-CA 3.34Å; Q546-K549 WeakPolarHBondContact O-CB 3.19Å; Q546-K549 PolarHBondContact O-N 2.92Å; G547-K549 VanDerWaalsContact C-N 3.28Å; G547-K549 PolarHBondContact O-N 3.35Å; K549-K551 PolarHBondContact O-N 3.18Å
550D77.8Confident80Confident49 Ų4963.9 Ų63.926%0.26231%0.314SS..SBendtrans-9839.4-176.8-66.3-45.4000113.1L504 Q546 G547 E552 K553 V554L504-D550 HydrophobicContact CD1-CB 4.2Å; Q546-D550 PolarHBondContact NE2-OD2 3.35Å; Q546-D550 PolarHBondContact O-N 2.96Å; Q546-D550 VanDerWaalsContact O-N 3.12Å; G547-D550 CarbonylContact O-C 3.51Å; G547-D550 PolarHBondContact O-N 2.82Å; D550-E552 PolarHBondContact O-N 2.99Å; D550-E552 VanDerWaalsContact O-N 3.1Å; D550-K553 PolarHBondContact O-N 3.29Å; D550-V554 HydrophobicContact CB-CG2 4.07Å; D550-V554 PolarHBondContact O-N 2.83Å; D550-V554 VanDerWaalsContact O-N 3.14Å
551K71.3Confident79.6Confident131 Ų13163.8 Ų63.857%0.5731%0.314SS*.Hα-helixtrans-52-39.9-171.6-79.9178.3-176.2-176.30113.7G547 E548 K549 K553 A555G547-K551 PolarHBondContact O-N 3.28Å; E548-K551 VanDerWaalsContact O-CE 3.29Å; E548-K551 WeakPolarHBondContact O-CE 3.46Å; E548-K551 WeakPolarHBondContact O-CG 3.49Å; K549-K551 PolarHBondContact O-N 3.18Å; K551-K553 PolarHBondContact O-N 3.16Å; K551-A555 WeakPolarHBondContact O-CB 3.36Å; K551-A555 PolarHBondContact O-N 3.48Å
552E73.2Confident79.1Confident199 Ų19963.7 Ų63.793%0.9332%0.315SS*.Hα-helixtrans-61.1-32.6-178.4-65.7-173.6169.500113D550D550-E552 PolarHBondContact O-N 2.99Å; D550-E552 VanDerWaalsContact O-N 3.1Å
553K70Confident77.9Confident92 Ų9270.4 Ų70.440%0.434%0.335SS..Hα-helixtrans-91.2-38.8-176.4-62.9-176.9-177.7176.70112.3F498 D550 K551F498-K553 HydrophobicContact CE1-CB 4.22Å; F498-K553 WeakPolarHBondContact CE1-O 3.49Å; D550-K553 PolarHBondContact O-N 3.29Å; K551-K553 PolarHBondContact O-N 3.16Å
554V77.1Confident76.7Confident0 Ų075.7 Ų75.70%036%0.364CS..Hα-helixtrans-105.7-6.3-167.7-153.60000113.1F498 L504 F543 D550 Q556 L557 L558F498-V554 HydrophobicContact CD1-CG2 4.32Å; F498-V554 HydrophobicContact CE1-CB 4.36Å; F498-V554 HydrophobicContact CE1-CG1 4.37Å; F498-V554 HydrophobicContact CE1-CG2 3.84Å; F498-V554 HydrophobicContact CZ-CG1 4.2Å; F498-V554 HydrophobicContact CZ-CG2 4.47Å; L504-V554 HydrophobicContact CD1-CG2 3.36Å; L504-V554 HydrophobicContact CD2-CG2 4.35Å; F543-V554 HydrophobicContact CE1-CG1 4.39Å; F543-V554 HydrophobicContact CZ-CG1 4.24Å; D550-V554 HydrophobicContact CB-CG2 4.07Å; D550-V554 PolarHBondContact O-N 2.83Å; D550-V554 VanDerWaalsContact O-N 3.14Å; V554-Q556 VanDerWaalsContact C-N 3.29Å; V554-Q556 PolarHBondContact O-N 2.94Å; V554-Q556 VanDerWaalsContact O-N 3.12Å; V554-L557 HydrophobicContact CG1-CB 4.05Å; V554-L557 HydrophobicContact CG1-CD2 4.03Å; V554-L557 HydrophobicContact CG1-CG 4.37Å; V554-L557 PolarHBondContact O-N 3.22Å; V554-L558 HydrophobicContact CB-CD1 4.25Å; V554-L558 HydrophobicContact CB-CG 4.17Å; V554-L558 HydrophobicContact CG1-CD1 4.42Å; V554-L558 HydrophobicContact CG1-CD2 4.2Å; V554-L558 HydrophobicContact CG1-CG 3.86Å; V554-L558 WeakPolarHBondContact O-CG 3.4Å; V554-L558 PolarHBondContact O-N 3.28Å
555A75.5Confident75.6Confident53 Ų5380.2 Ų80.244%0.43839%0.385SS..Hα-helixtrans-50.7-44.2-173.300000114.1K551 A559K551-A555 WeakPolarHBondContact O-CB 3.36Å; K551-A555 PolarHBondContact O-N 3.48Å; A555-A559 VanDerWaalsContact O-CB 3.29Å; A555-A559 WeakPolarHBondContact O-CB 3.44Å; A555-A559 PolarHBondContact O-N 3.13Å
556Q79.8Confident74.6Confident141 Ų14178.2 Ų78.266%0.65938%0.378SS*.Hα-helixtrans-64.5-44.4178.8-68.3-178.9-3.800111.8Y457 V554 A559 M560Y457-Q556 HydrophobicContact CE2-CB 4.28Å; V554-Q556 VanDerWaalsContact C-N 3.29Å; V554-Q556 PolarHBondContact O-N 2.94Å; V554-Q556 VanDerWaalsContact O-N 3.12Å; Q556-A559 PolarHBondContact O-N 3.12Å; Q556-M560 WeakPolarHBondContact O-CG 2.87Å; Q556-M560 PolarHBondContact O-N 3.19Å
557L82.2Confident73.8Confident0 Ų077.7 Ų77.70%038%0.375CS..Hα-helixtrans-66.5-43.8178.7175.962.5000111.6T453 L454 Y457 F498 F543 V554 A559 M560 L561T453-L557 HydrophobicContact CG2-CD1 4.23Å; L454-L557 HydrophobicContact CD2-CD1 3.77Å; L454-L557 HydrophobicContact CD2-CD2 3.54Å; L454-L557 HydrophobicContact CD2-CG 4.26Å; L454-L557 HydrophobicContact CG-CD1 4.44Å; Y457-L557 HydrophobicContact CD2-CB 4.44Å; Y457-L557 HydrophobicContact CE2-CB 4.49Å; Y457-L557 HydrophobicContact CG-CD1 4.31Å; F498-L557 HydrophobicContact CE2-CD2 3.67Å; F498-L557 HydrophobicContact CZ-CD2 4.12Å; F543-L557 HydrophobicContact CE1-CD2 4.32Å; F543-L557 HydrophobicContact CZ-CD2 3.79Å; V554-L557 HydrophobicContact CG1-CB 4.05Å; V554-L557 HydrophobicContact CG1-CD2 4.03Å; V554-L557 HydrophobicContact CG1-CG 4.37Å; V554-L557 PolarHBondContact O-N 3.22Å; L557-A559 VanDerWaalsContact C-N 3.3Å; L557-A559 PolarHBondContact O-N 3.2Å; L557-M560 HydrophobicContact CD1-CE 4.23Å; L557-M560 PolarHBondContact O-N 2.98Å; L557-L561 HydrophobicContact CD1-CD1 4.02Å; L557-L561 HydrophobicContact CD1-CG 4.1Å; L557-L561 HydrophobicContact CG-CD1 3.95Å; L557-L561 HydrophobicContact CG-CG 4.45Å; L557-L561 WeakPolarHBondContact O-CG 3.42Å; L557-L561 PolarHBondContact O-N 3.45Å
558L80Confident72.9Confident20 Ų2079.3 Ų79.311%0.10539%0.386CS..Hα-helixtrans-61.5-40175.7-65.6174.9000111.6F543 F544 V554 M560 L561 N562F543-L558 HydrophobicContact CD1-CD2 4.07Å; F543-L558 HydrophobicContact CE1-CD2 3.83Å; F544-L558 HydrophobicContact CD1-CD2 3.77Å; F544-L558 HydrophobicContact CE1-CB 4.39Å; F544-L558 HydrophobicContact CE1-CD2 3.83Å; F544-L558 HydrophobicContact CG-CD2 4.4Å; V554-L558 HydrophobicContact CB-CD1 4.25Å; V554-L558 HydrophobicContact CB-CG 4.17Å; V554-L558 HydrophobicContact CG1-CD1 4.42Å; V554-L558 HydrophobicContact CG1-CD2 4.2Å; V554-L558 HydrophobicContact CG1-CG 3.86Å; V554-L558 WeakPolarHBondContact O-CG 3.4Å; V554-L558 PolarHBondContact O-N 3.28Å; L558-M560 VanDerWaalsContact C-N 3.35Å; L558-L561 PolarHBondContact O-N 2.84Å; L558-N562 WeakPolarHBondContact O-CB 3.37Å; L558-N562 PolarHBondContact O-N 3.08Å
559A77.9Confident72.1Confident66 Ų6682.6 Ų82.655%0.54540%0.395SS..Hα-helixtrans-63.6-40.6176.200000111.8A555 Q556 L557 Y563A555-A559 VanDerWaalsContact O-CB 3.29Å; A555-A559 WeakPolarHBondContact O-CB 3.44Å; A555-A559 PolarHBondContact O-N 3.13Å; Q556-A559 PolarHBondContact O-N 3.12Å; L557-A559 VanDerWaalsContact C-N 3.3Å; L557-A559 PolarHBondContact O-N 3.2Å; A559-Y563 PolarHBondContact O-N 3.18Å
560M80.6Confident71.1Confident69 Ų6976.3 Ų76.334%0.3437%0.368SS..Hα-helixtrans-68-43.6176.4-68.5-172.8-61.700112.3T453 Y457 Q556 L557 L558 N562 Y563T453-M560 HydrophobicContact CG2-CB 3.52Å; T453-M560 HydrophobicContact CG2-CE 4.38Å; Y457-M560 HydrophobicContact CD2-CE 3.46Å; Y457-M560 VanDerWaalsContact CD2-CE 3.46Å; Y457-M560 HydrophobicContact CE2-CE 4.48Å; Y457-M560 HydrophobicContact CG-CE 3.93Å; Q556-M560 WeakPolarHBondContact O-CG 2.87Å; Q556-M560 PolarHBondContact O-N 3.19Å; L557-M560 HydrophobicContact CD1-CE 4.23Å; L557-M560 PolarHBondContact O-N 2.98Å; L558-M560 VanDerWaalsContact C-N 3.35Å; M560-N562 VanDerWaalsContact C-N 3.28Å; M560-N562 PolarHBondContact O-N 3.25Å; M560-Y563 PolarHBondContact O-N 3.43Å
561L78.5Confident70.1Confident4 Ų475.3 Ų75.32%0.02136%0.364CS..Hα-helixtrans-66.8-30.9177.8-71.6171.7000112.5I450 T453 F543 F544 L557 L558 F567I450-L561 HydrophobicContact CB-CD2 4.25Å; I450-L561 HydrophobicContact CG1-CD2 4.32Å; I450-L561 HydrophobicContact CG2-CD2 3.96Å; T453-L561 HydrophobicContact CG2-CD2 3.86Å; T453-L561 HydrophobicContact CG2-CG 4.11Å; F543-L561 HydrophobicContact CD1-CD1 4.26Å; F543-L561 HydrophobicContact CE1-CD1 3.7Å; F543-L561 HydrophobicContact CZ-CD1 4.5Å; F544-L561 HydrophobicContact CZ-CB 4.05Å; L557-L561 HydrophobicContact CD1-CD1 4.02Å; L557-L561 HydrophobicContact CD1-CG 4.1Å; L557-L561 HydrophobicContact CG-CD1 3.95Å; L557-L561 HydrophobicContact CG-CG 4.45Å; L557-L561 WeakPolarHBondContact O-CG 3.42Å; L557-L561 PolarHBondContact O-N 3.45Å; L558-L561 PolarHBondContact O-N 2.84Å; L561-F567 WeakPolarHBondContact O-CD2 3.26Å
562N75.6Confident69.4Low34 Ų3475.5 Ų75.518%0.18237%0.367CS..THydrogen-bonded Turntrans-101.123.6-176.8-161.342.6000113.5F544 L558 M560 N564 E565 F567 S568F544-N562 HydrophobicContact CE1-CB 3.92Å; F544-N562 HydrophobicContact CZ-CB 4.02Å; L558-N562 WeakPolarHBondContact O-CB 3.37Å; L558-N562 PolarHBondContact O-N 3.08Å; M560-N562 VanDerWaalsContact C-N 3.28Å; M560-N562 PolarHBondContact O-N 3.25Å; N562-N564 PolarHBondContact O-N 3.48Å; N562-E565 PolarHBondContact O-N 2.92Å; N562-E565 VanDerWaalsContact OD1-C 3.29Å; N562-E565 VanDerWaalsContact OD1-CA 3.26Å; N562-E565 WeakPolarHBondContact OD1-CA 3.31Å; N562-F567 PolarHBondContact OD1-N 2.7Å; N562-S568 PolarHBondContact ND2-OG 2.81Å; N562-S568 PolarHBondContact OD1-N 3.49Å; N562-S568 VanDerWaalsContact OD1-N 3.08Å
563Y62.9Low68Low189 Ų18969.3 Ų69.374%0.74135%0.345SS*.THydrogen-bonded Turntrans-51-27.1-175-174.5-100000114.2A559 M560A559-Y563 PolarHBondContact O-N 3.18Å; M560-Y563 PolarHBondContact O-N 3.43Å
564N60.2Low66.3Low124 Ų12468.7 Ų68.766%0.66336%0.357SS*.THydrogen-bonded Turntrans-113.818.9178.4-68.5-31000114.7N562 Y566N562-N564 PolarHBondContact O-N 3.48Å; N564-Y566 PolarHBondContact O-N 3.23Å
565E61.5Low64.2Low107 Ų10775 Ų7550%0.540%0.398SS..SBendtrans55.77.2-173.3-58.9-175.7155.700115.5N562 F567 S568 R569N562-E565 PolarHBondContact O-N 2.92Å; N562-E565 VanDerWaalsContact OD1-C 3.29Å; N562-E565 VanDerWaalsContact OD1-CA 3.26Å; N562-E565 WeakPolarHBondContact OD1-CA 3.31Å; E565-F567 VanDerWaalsContact C-N 3.31Å; E565-F567 PolarHBondContact O-N 3.24Å; E565-S568 PolarHBondContact O-N 2.9Å; E565-R569 WeakPolarHBondContact O-CG 3.45Å; E565-R569 PolarHBondContact O-N 3.3Å; E565-R569 IonicContact OE2-CZ 3.66Å; E565-R569 IonicContact OE2-NE 3.56Å; E565-R569 IonicContact OE2-NH2 2.9Å; E565-R569 PolarHBondContact OE2-NH2 2.61Å
566Y63.2Low62.2Low98 Ų9877.1 Ų77.138%0.38441%0.41SS..Hα-helixtrans-56.8-47.1-172.5178.1-97.2000111.2N564 R569 L570N564-Y566 PolarHBondContact O-N 3.23Å; Y566-R569 PolarHBondContact O-N 3.44Å; Y566-L570 HydrophobicContact CE1-CD1 4.33Å; Y566-L570 WeakPolarHBondContact O-CB 3.49Å; Y566-L570 PolarHBondContact O-N 3.26Å; Y566-L570 VanDerWaalsContact O-N 3.13Å
567F64.9Low60Low12 Ų1276 Ų765%0.05342%0.418CS..Hα-helixtrans-78.1-33.5-178.9-65.2-74.7000112.7V446 I450 M540 F544 L561 N562 E565 R569 L570 V571V446-F567 HydrophobicContact CG1-CE1 4.41Å; V446-F567 HydrophobicContact CG1-CZ 3.88Å; I450-F567 HydrophobicContact CD1-CE1 4.44Å; I450-F567 HydrophobicContact CD1-CZ 3.92Å; I450-F567 HydrophobicContact CG1-CZ 4.1Å; M540-F567 HydrophobicContact CB-CD1 4.08Å; M540-F567 HydrophobicContact CB-CE1 4.15Å; M540-F567 HydrophobicContact CE-CD1 4.18Å; M540-F567 HydrophobicContact CE-CE1 4.1Å; M540-F567 HydrophobicContact CE-CG 4.43Å; M540-F567 HydrophobicContact CE-CZ 4.27Å; M540-F567 HydrophobicContact CG-CD1 4.3Å; M540-F567 HydrophobicContact CG-CE1 3.9Å; F544-F567 HydrophobicContact CD2-CB 3.8Å; F544-F567 HydrophobicContact CD2-CG 4.4Å; F544-F567 HydrophobicContact CE1-CB 4.36Å; F544-F567 HydrophobicContact CE2-CB 3.17Å; F544-F567 HydrophobicContact CE2-CD1 4.17Å; F544-F567 HydrophobicContact CE2-CD2 4.02Å; F544-F567 AromaticContact CE2-CG 3.54Å; F544-F567 HydrophobicContact CE2-CG 3.54Å; F544-F567 HydrophobicContact CZ-CB 3.51Å; F544-F567 HydrophobicContact CZ-CD2 4.2Å; F544-F567 HydrophobicContact CZ-CG 4.05Å; L561-F567 WeakPolarHBondContact O-CD2 3.26Å; N562-F567 PolarHBondContact OD1-N 2.7Å; E565-F567 VanDerWaalsContact C-N 3.31Å; E565-F567 PolarHBondContact O-N 3.24Å; F567-R569 VanDerWaalsContact C-N 3.29Å; F567-R569 PolarHBondContact O-N 3.39Å; F567-L570 CarbonylContact O-C 3.49Å; F567-L570 PolarHBondContact O-N 3.46Å; F567-L570 VanDerWaalsContact O-N 3.09Å; F567-V571 VanDerWaalsContact O-CG2 3.31Å; F567-V571 WeakPolarHBondContact O-CG2 3.22Å; F567-V571 PolarHBondContact O-N 2.94Å
568S61.9Low57.6Low33 Ų3383 Ų8323%0.23146%0.455CS..Hα-helixtrans-56.9-44.2169.2-790000111.7N562 E565 L570 V571 H572N562-S568 PolarHBondContact ND2-OG 2.81Å; N562-S568 PolarHBondContact OD1-N 3.49Å; N562-S568 VanDerWaalsContact OD1-N 3.08Å; E565-S568 PolarHBondContact O-N 2.9Å; S568-L570 VanDerWaalsContact C-N 3.28Å; S568-L570 PolarHBondContact O-N 3.26Å; S568-V571 PolarHBondContact O-N 3.08Å; S568-H572 WeakPolarHBondContact O-CB 3.4Å; S568-H572 PolarHBondContact O-CD2 3.31Å; S568-H572 PolarHBondContact O-N 3.05Å
569R59.6Low55.3Low165 Ų16584.9 Ų84.962%0.62348%0.479SS*.Hα-helixtrans-64.6-34.5175.8-68.7177.4-168.9173.96.9112.1E565 Y566 F567 S573E565-R569 WeakPolarHBondContact O-CG 3.45Å; E565-R569 PolarHBondContact O-N 3.3Å; E565-R569 IonicContact OE2-CZ 3.66Å; E565-R569 IonicContact OE2-NE 3.56Å; E565-R569 IonicContact OE2-NH2 2.9Å; E565-R569 PolarHBondContact OE2-NH2 2.61Å; Y566-R569 PolarHBondContact O-N 3.44Å; F567-R569 VanDerWaalsContact C-N 3.29Å; F567-R569 PolarHBondContact O-N 3.39Å; R569-S573 VanDerWaalsContact O-CB 3.3Å; R569-S573 WeakPolarHBondContact O-CB 3.41Å; R569-S573 PolarHBondContact O-N 3.43Å; R569-S573 PolarHBondContact O-OG 3.39Å
570L59Low53.1Low17 Ų1790.8 Ų90.89%0.08950%0.501CS..Hα-helixtrans-75.1-27.2179-168132.8000113.6R537 K541 Y566 F567 S568 S573R537-L570 HydrophobicContact CG-CD1 4.25Å; R537-L570 HydrophobicContact CG-CD2 3.63Å; R537-L570 HydrophobicContact CG-CG 4.27Å; K541-L570 HydrophobicContact CG-CD2 4.02Å; Y566-L570 HydrophobicContact CE1-CD1 4.33Å; Y566-L570 WeakPolarHBondContact O-CB 3.49Å; Y566-L570 PolarHBondContact O-N 3.26Å; Y566-L570 VanDerWaalsContact O-N 3.13Å; F567-L570 CarbonylContact O-C 3.49Å; F567-L570 PolarHBondContact O-N 3.46Å; F567-L570 VanDerWaalsContact O-N 3.09Å; S568-L570 VanDerWaalsContact C-N 3.28Å; S568-L570 PolarHBondContact O-N 3.26Å; L570-S573 WeakPolarHBondContact CA-OG 3.42Å; L570-S573 PolarHBondContact O-OG 2.99Å
571V57Low50.9Low28 Ų2892.3 Ų92.317%0.1752%0.518CS..Hα-helixtrans-80-35.3172.9174.10000111.6K541 F544 F567 S568K541-V571 HydrophobicContact CG-CG2 4.26Å; F544-V571 HydrophobicContact CB-CG2 3.87Å; F544-V571 HydrophobicContact CG-CG2 4.37Å; F567-V571 VanDerWaalsContact O-CG2 3.31Å; F567-V571 WeakPolarHBondContact O-CG2 3.22Å; F567-V571 PolarHBondContact O-N 2.94Å; S568-V571 PolarHBondContact O-N 3.08Å
572H56.1Low48.8Very low135 Ų13595.3 Ų95.363%0.62555%0.55SS**Hα-helixtrans-90.7-9.8-178.6-61.2-48.5000114.8S568 A574S568-H572 WeakPolarHBondContact O-CB 3.4Å; S568-H572 PolarHBondContact O-CD2 3.31Å; S568-H572 PolarHBondContact O-N 3.05Å; H572-A574 PolarHBondContact O-N 3.21Å
573S44.9Very low46.8Very low69 Ų69101.4 Ų101.448%0.48359%0.592SS.*SBendtrans-77.1113.9170.438.90000109.7R569 L570R569-S573 VanDerWaalsContact O-CB 3.3Å; R569-S573 WeakPolarHBondContact O-CB 3.41Å; R569-S573 PolarHBondContact O-N 3.43Å; R569-S573 PolarHBondContact O-OG 3.39Å; L570-S573 WeakPolarHBondContact CA-OG 3.42Å; L570-S573 PolarHBondContact O-OG 2.99Å
574A33Very low46Very low79 Ų7997.1 Ų97.165%0.65358%0.584SS**  trans-57.2147.7167.600000109.8H572 S576H572-A574 PolarHBondContact O-N 3.21Å; A574-S576 VanDerWaalsContact C-N 3.33Å; A574-S576 PolarHBondContact O-N 3.48Å
575P34.7Very low45.3Very low133 Ų13395.6 Ų95.686%0.86458%0.58SS**  trans-68.191.9178.128.6-32000109.2
576S32.2Very low44.4Very low97 Ų9795 Ų9568%0.67858%0.584SS**  trans-85.2122.5162.453.30000108.1A574 D578A574-S576 VanDerWaalsContact C-N 3.33Å; A574-S576 PolarHBondContact O-N 3.48Å; S576-D578 PolarHBondContact O-N 3Å
577S33.2Very low43.3Very low118 Ų11894.8 Ų94.883%0.82560%0.596SS**SBendtrans-65.64.8-177.646.20000115.6
578D31.9Very low41.9Very low146 Ų146100 Ų10078%0.78163%0.63SS**  trans-127.397.4-178.3-67.6-43.9000109.2S576S576-D578 PolarHBondContact O-N 3Å
579G33Very low40.6Very low59 Ų59104.5 Ų104.561%0.60866%0.657SS**  trans-172.929.8-175.800000115.3S581G579-S581 PolarHBondContact O-N 3.05Å
580L32Very low39.3Very low191 Ų191100.1 Ų100.1100%166%0.659SS**  trans-74.267.9157.2-83159.1000108.5
581S34.7Very low37.7Very low100 Ų100106.5 Ų106.570%0.69970%0.703SS**  trans-141.693.4163.155.40000105.7G579G579-S581 PolarHBondContact O-N 3.05Å
582G33.5Very low36.1Very low68 Ų68113.1 Ų113.170%0.70175%0.747SS**  trans-63.7173.3179.300000112.9
583P34.4Very low34.3Very low162 Ų162111.1 Ų111.1100%1.05276%0.759SS**  trans-63.20147.830.2-30.6000111.4

Retrieved 583 of 583 residues in 420.7 ms (Link to these results)

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