A0A087Y225_POEFO Loading...

Ankyrin repeat and SOCS box containing 4

AlphaFold DB , UniProt , Accession A0A087Y225, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 351 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
1M79.8Confident92Very high103 Ų10358.7 Ų58.751%0.50732%0.315SS..  0-49.60-70.2-48-65.600112.2I3 H4 V5 P29M1-I3 PolarHBondContact O-N 3.04Å; M1-H4 WeakPolarHBondContact O-CB 3.3Å; M1-H4 PolarHBondContact O-N 3.45Å; M1-V5 PolarHBondContact O-N 2.9Å; M1-V5 VanDerWaalsContact O-N 3.1Å; M1-P29 HydrophobicContact CG-CB 3.98Å; M1-P29 HydrophobicContact CG-CG 4.01Å; M1-P29 HydrophobicContact SD-CB 3.32Å; M1-P29 WeakPolarHBondContact SD-CB 3.44Å; M1-P29 HydrophobicContact SD-CG 3.04Å; M1-P29 WeakPolarHBondContact SD-CG 3.5Å
2G91.1Very high92.2Very high42 Ų4255.8 Ų55.843%0.43330%0.301SS..Hα-helixtrans-48.6-52.9-178.200000114.5H4 V5 C6G2-H4 PolarHBondContact O-N 3.27Å; G2-V5 PolarHBondContact O-N 3.49Å; G2-C6 PolarHBondContact O-N 3.38Å; G2-C6 VanDerWaalsContact O-N 3.08Å; G2-C6 PolarHBondContact O-SG 2.99Å
3I93.7Very high92.5Very high9 Ų962.2 Ų62.25%0.04633%0.328CS..Hα-helixtrans-59.1-44.7178.3-53.9167.6000111.6M1 V5 C6 V7 L18 L19 A23 P34 L50M1-I3 PolarHBondContact O-N 3.04Å; I3-V5 VanDerWaalsContact C-N 3.33Å; I3-V5 PolarHBondContact O-N 3.43Å; I3-C6 WeakPolarHBondContact O-CB 3.18Å; I3-C6 PolarHBondContact O-N 2.98Å; I3-V7 HydrophobicContact CG2-CG2 4.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.2Å; I3-V7 PolarHBondContact O-N 2.94Å; I3-L18 HydrophobicContact CG1-CB 4.33Å; I3-L19 HydrophobicContact CD1-CD2 3.67Å; I3-L19 HydrophobicContact CD1-CG 4.48Å; I3-L19 HydrophobicContact CG1-CD2 4.46Å; I3-A23 HydrophobicContact CD1-CB 3.61Å; I3-A23 HydrophobicContact CG1-CB 3.93Å; I3-P34 HydrophobicContact CB-CB 4.46Å; I3-P34 HydrophobicContact CB-CG 4.08Å; I3-P34 HydrophobicContact CG2-CB 3.69Å; I3-P34 HydrophobicContact CG2-CG 3.76Å; I3-L50 HydrophobicContact CG2-CD2 3.9Å
4H94.1Very high92.6Very high10 Ų1063.1 Ų63.15%0.04634%0.337CS..Hα-helixtrans-57.1-45.5179.3-60.976.9000112.3M1 G2 V7 M8 R27 P29 K32 P34M1-H4 WeakPolarHBondContact O-CB 3.3Å; M1-H4 PolarHBondContact O-N 3.45Å; G2-H4 PolarHBondContact O-N 3.27Å; H4-V7 PolarHBondContact O-N 3.12Å; H4-M8 WeakPolarHBondContact O-CG 3.41Å; H4-M8 PolarHBondContact O-N 3.12Å; H4-R27 PolarHBondContact CE1-O 2.82Å; H4-R27 PolarHBondContact NE2-O 3.17Å; H4-P29 WeakPolarHBondContact CE1-CD 3.46Å; H4-K32 PolarHBondContact NE2-O 3.09Å; H4-P34 WeakPolarHBondContact NE2-CD 3.46Å
5V93.2Very high92.9Very high65 Ų6559 Ų5939%0.39432%0.315SS..Hα-helixtrans-63.8-44.2178.3176.60000110.3M1 G2 I3 V7 M8 Y9M1-V5 PolarHBondContact O-N 2.9Å; M1-V5 VanDerWaalsContact O-N 3.1Å; G2-V5 PolarHBondContact O-N 3.49Å; I3-V5 VanDerWaalsContact C-N 3.33Å; I3-V5 PolarHBondContact O-N 3.43Å; V5-V7 VanDerWaalsContact C-N 3.29Å; V5-V7 PolarHBondContact O-N 2.92Å; V5-M8 PolarHBondContact O-N 3.41Å; V5-Y9 HydrophobicContact CG1-CD2 3.75Å; V5-Y9 HydrophobicContact CG1-CE2 3.91Å; V5-Y9 VanDerWaalsContact O-CD2 3.27Å; V5-Y9 WeakPolarHBondContact O-CD2 2.98Å; V5-Y9 PolarHBondContact O-N 3.07Å; V5-Y9 VanDerWaalsContact O-N 3.16Å
6C94.4Very high93.1Very high13 Ų1358.9 Ų58.99%0.08832%0.315CS..Hα-helixtrans-58.1-43.1176.1-62.50000111.9G2 I3 Y9 N10 A11 T14 A15G2-C6 PolarHBondContact O-N 3.38Å; G2-C6 VanDerWaalsContact O-N 3.08Å; G2-C6 PolarHBondContact O-SG 2.99Å; I3-C6 WeakPolarHBondContact O-CB 3.18Å; I3-C6 PolarHBondContact O-N 2.98Å; C6-Y9 PolarHBondContact O-N 3.02Å; C6-N10 PolarHBondContact O-N 3.05Å; C6-N10 VanDerWaalsContact O-N 3.1Å; C6-A11 HydrophobicContact CB-CB 4.18Å; C6-A11 PolarHBondContact O-N 3.31Å; C6-T14 VanDerWaalsContact SG-CG2 3.6Å; C6-A15 HydrophobicContact CB-CB 3.77Å
7V93.9Very high93.3Very high1 Ų159.9 Ų59.91%0.00632%0.323CS..Hα-helixtrans-64.6-44.7178.2173.60000111.6I3 H4 V5 Y9 N10 P34 V37 A38 V41 C46 L50I3-V7 HydrophobicContact CG2-CG2 4.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.2Å; I3-V7 PolarHBondContact O-N 2.94Å; H4-V7 PolarHBondContact O-N 3.12Å; V5-V7 VanDerWaalsContact C-N 3.29Å; V5-V7 PolarHBondContact O-N 2.92Å; V7-Y9 VanDerWaalsContact C-N 3.26Å; V7-Y9 PolarHBondContact O-N 3.12Å; V7-N10 PolarHBondContact O-N 3.1Å; V7-P34 HydrophobicContact CG2-CB 4.35Å; V7-V37 HydrophobicContact CB-CG1 4.42Å; V7-V37 HydrophobicContact CG1-CB 4.19Å; V7-V37 HydrophobicContact CG1-CG1 3.94Å; V7-A38 HydrophobicContact CG1-CB 3.55Å; V7-V41 HydrophobicContact CG1-CG2 4.43Å; V7-C46 HydrophobicContact CG1-CB 4.18Å; V7-C46 HydrophobicContact CG2-CB 4.23Å; V7-L50 HydrophobicContact CG2-CD1 4.11Å
8M92.6Very high93.4Very high105 Ų10559.8 Ų59.852%0.51732%0.322SS..Hα-helixtrans-59.1-36.4179.2-72.6176.863.400113H4 V5 V37H4-M8 WeakPolarHBondContact O-CG 3.41Å; H4-M8 PolarHBondContact O-N 3.12Å; V5-M8 PolarHBondContact O-N 3.41Å; M8-V37 HydrophobicContact CG-CG1 3.47Å; M8-V37 VanDerWaalsContact CG-CG1 3.47Å
9Y93.1Very high93.5Very high177 Ų17757.3 Ų57.369%0.69431%0.308SS*.THydrogen-bonded Turntrans-102.112.8-177-66-71.1000113.6V5 C6 V7 A11V5-Y9 HydrophobicContact CG1-CD2 3.75Å; V5-Y9 HydrophobicContact CG1-CE2 3.91Å; V5-Y9 VanDerWaalsContact O-CD2 3.27Å; V5-Y9 WeakPolarHBondContact O-CD2 2.98Å; V5-Y9 PolarHBondContact O-N 3.07Å; V5-Y9 VanDerWaalsContact O-N 3.16Å; C6-Y9 PolarHBondContact O-N 3.02Å; V7-Y9 VanDerWaalsContact C-N 3.26Å; V7-Y9 PolarHBondContact O-N 3.12Å; Y9-A11 VanDerWaalsContact C-N 3.26Å; Y9-A11 PolarHBondContact O-N 2.85Å
10N91.6Very high93.7Very high91 Ų9160.5 Ų60.549%0.48732%0.321SS..THydrogen-bonded Turntrans54.536.5-178.3-166.229.3000114.4C6 V7 V12 N43C6-N10 PolarHBondContact O-N 3.05Å; C6-N10 VanDerWaalsContact O-N 3.1Å; V7-N10 PolarHBondContact O-N 3.1Å; N10-V12 VanDerWaalsContact C-N 3.33Å; N10-V12 PolarHBondContact O-N 3.01Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.37Å; N10-N43 PolarHBondContact OD1-ND2 3.23Å
11A94.9Very high93.8Very high30 Ų3066 Ų6625%0.24834%0.342CS..  trans-89.665.6176.300000110.9C6 Y9 E13 T14 A15C6-A11 HydrophobicContact CB-CB 4.18Å; C6-A11 PolarHBondContact O-N 3.31Å; Y9-A11 VanDerWaalsContact C-N 3.26Å; Y9-A11 PolarHBondContact O-N 2.85Å; A11-E13 PolarHBondContact O-N 3.4Å; A11-T14 PolarHBondContact O-N 2.9Å; A11-A15 PolarHBondContact O-N 3.21Å
12V94.4Very high94.4Very high24 Ų2464.2 Ų64.215%0.14535%0.35CS..Hα-helixtrans-59.1-43-171.1-175.10000112.1N10 T14 A15 L16 E45 L49N10-V12 VanDerWaalsContact C-N 3.33Å; N10-V12 PolarHBondContact O-N 3.01Å; N10-V12 WeakPolarHBondContact OD1-CG2 3.37Å; V12-T14 VanDerWaalsContact C-N 3.32Å; V12-T14 PolarHBondContact O-N 3.44Å; V12-A15 WeakPolarHBondContact O-CB 3.13Å; V12-A15 PolarHBondContact O-N 3.28Å; V12-L16 PolarHBondContact O-N 3.27Å; V12-E45 HydrophobicContact CG2-CB 4.22Å; V12-L49 HydrophobicContact CG1-CD2 4.03Å
13E95.3Very high94.6Very high139 Ų13963.9 Ų63.965%0.6534%0.343SS*.Hα-helixtrans-65.8-38.3179.7-5979.7-175.900111.3A11 L16 V17A11-E13 PolarHBondContact O-N 3.4Å; E13-L16 WeakPolarHBondContact O-CB 3.34Å; E13-L16 PolarHBondContact O-N 3.49Å; E13-V17 WeakPolarHBondContact O-CG2 3.35Å; E13-V17 PolarHBondContact O-N 3.38Å
14T95Very high94.6Very high75 Ų7566.4 Ų66.446%0.4637%0.366SS..Hα-helixtrans-68.7-40.3177.2-53.90000110.3C6 A11 V12 L16 V17 L18C6-T14 VanDerWaalsContact SG-CG2 3.6Å; A11-T14 PolarHBondContact O-N 2.9Å; V12-T14 VanDerWaalsContact C-N 3.32Å; V12-T14 PolarHBondContact O-N 3.44Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 3.06Å; T14-V17 PolarHBondContact O-N 2.77Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.23Å
15A95.7Very high94.7Very high1 Ų167.1 Ų67.11%0.00837%0.37CS..Hα-helixtrans-59.4-43.7172.800000111.4C6 A11 V12 L18 L19 L49C6-A15 HydrophobicContact CB-CB 3.77Å; A11-A15 PolarHBondContact O-N 3.21Å; V12-A15 WeakPolarHBondContact O-CB 3.13Å; V12-A15 PolarHBondContact O-N 3.28Å; A15-L18 PolarHBondContact O-N 3.27Å; A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.32Å; A15-L19 PolarHBondContact O-N 3.23Å; A15-L49 HydrophobicContact CB-CD2 3.95Å
16L96.3Very high94.7Very high58 Ų5866.2 Ų66.230%0.30436%0.363SS..Hα-helixtrans-59-48.5176.6174.965000111.6V12 E13 T14 L18 L19 Q20 L49 Y53V12-L16 PolarHBondContact O-N 3.27Å; E13-L16 WeakPolarHBondContact O-CB 3.34Å; E13-L16 PolarHBondContact O-N 3.49Å; T14-L16 VanDerWaalsContact C-N 3.32Å; T14-L16 PolarHBondContact O-N 3.06Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.3Å; L16-L19 PolarHBondContact O-N 3.44Å; L16-Q20 HydrophobicContact CD1-CG 4.24Å; L16-Q20 WeakPolarHBondContact O-CG 3.5Å; L16-Q20 PolarHBondContact O-N 3.41Å; L16-L49 HydrophobicContact CB-CD1 4.33Å; L16-L49 HydrophobicContact CB-CD2 4.15Å; L16-L49 HydrophobicContact CD1-CD1 3.7Å; L16-Y53 HydrophobicContact CD1-CE2 3.86Å; L16-Y53 WeakPolarHBondContact CD1-OH 3.34Å
17V96.8Very high94.7Very high76 Ų7673.8 Ų73.846%0.46139%0.389SS..Hα-helixtrans-59.3-44177.6172.30000110.9E13 T14 L19 Q20 K21E13-V17 WeakPolarHBondContact O-CG2 3.35Å; E13-V17 PolarHBondContact O-N 3.38Å; T14-V17 PolarHBondContact O-N 2.77Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L19 PolarHBondContact O-N 3.05Å; V17-Q20 PolarHBondContact O-N 3.38Å; V17-K21 VanDerWaalsContact O-CG 3.3Å; V17-K21 WeakPolarHBondContact O-CG 3.42Å; V17-K21 PolarHBondContact O-N 3.46Å
18L95.9Very high94.7Very high58 Ų5877 Ų7730%0.30441%0.405SS..Hα-helixtrans-61.8-42.4177.6-69.8176.3000111.9I3 T14 A15 L16 K21 G22 A23I3-L18 HydrophobicContact CG1-CB 4.33Å; T14-L18 WeakPolarHBondContact O-CG 3.38Å; T14-L18 PolarHBondContact O-N 3.23Å; A15-L18 PolarHBondContact O-N 3.27Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.3Å; L18-K21 CarbonylContact O-C 3.56Å; L18-K21 PolarHBondContact O-N 2.95Å; L18-G22 PolarHBondContact O-N 3.27Å; L18-A23 HydrophobicContact CB-CB 4.09Å; L18-A23 WeakPolarHBondContact O-CB 3.38Å; L18-A23 PolarHBondContact O-N 2.79Å
19L95.4Very high94.6Very high11 Ų1174.6 Ų74.66%0.05840%0.397CS..Hα-helixtrans-65.3-43177.6-70.2171.3000112.1I3 A15 L16 V17 K21 G22 I25 L49 L50 Y53I3-L19 HydrophobicContact CD1-CD2 3.67Å; I3-L19 HydrophobicContact CD1-CG 4.48Å; I3-L19 HydrophobicContact CG1-CD2 4.46Å; A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.32Å; A15-L19 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 3.44Å; V17-L19 VanDerWaalsContact C-N 3.35Å; V17-L19 PolarHBondContact O-N 3.05Å; L19-K21 PolarHBondContact O-N 2.78Å; L19-G22 PolarHBondContact O-N 2.89Å; L19-I25 HydrophobicContact CD1-CD1 4.32Å; L19-I25 HydrophobicContact CD2-CB 4.2Å; L19-I25 HydrophobicContact CD2-CD1 3.52Å; L19-I25 HydrophobicContact CD2-CG1 4.42Å; L19-L49 HydrophobicContact CD1-CD1 4.2Å; L19-L49 HydrophobicContact CD1-CD2 4.1Å; L19-L49 HydrophobicContact CD1-CG 3.86Å; L19-L50 HydrophobicContact CD1-CD2 4.39Å; L19-Y53 HydrophobicContact CB-CD1 3.79Å; L19-Y53 HydrophobicContact CB-CD2 4.45Å; L19-Y53 HydrophobicContact CB-CE1 3.85Å; L19-Y53 HydrophobicContact CB-CE2 4.5Å; L19-Y53 HydrophobicContact CB-CG 4.11Å; L19-Y53 HydrophobicContact CD1-CD2 3.97Å; L19-Y53 HydrophobicContact CD1-CE2 4.48Å; L19-Y53 HydrophobicContact CD1-CG 3.98Å; L19-Y53 HydrophobicContact CG-CG 4.46Å
20Q96Very high94.3Very high121 Ų12172 Ų7257%0.56540%0.396SS*.Hα-helixtrans-60.8-29.7173.9-72.2175.8-8.300112.8L16 V17 G22 Y53L16-Q20 HydrophobicContact CD1-CG 4.24Å; L16-Q20 WeakPolarHBondContact O-CG 3.5Å; L16-Q20 PolarHBondContact O-N 3.41Å; V17-Q20 PolarHBondContact O-N 3.38Å; Q20-G22 PolarHBondContact O-N 3.23Å; Q20-Y53 WeakPolarHBondContact CG-OH 3.49Å
21K95.9Very high94.4Very high177 Ų17767.8 Ų67.877%0.7737%0.374SS*.THydrogen-bonded Turntrans-84.110.3174.5-64.2-65.2-179.3-175.90113.8V17 L18 L19V17-K21 VanDerWaalsContact O-CG 3.3Å; V17-K21 WeakPolarHBondContact O-CG 3.42Å; V17-K21 PolarHBondContact O-N 3.46Å; L18-K21 CarbonylContact O-C 3.56Å; L18-K21 PolarHBondContact O-N 2.95Å; L19-K21 PolarHBondContact O-N 2.78Å
22G93.4Very high94.5Very high65 Ų6568.6 Ų68.667%0.6737%0.372SS*.THydrogen-bonded Turntrans8223.2174.700000114.3L18 L19 Q20L18-G22 PolarHBondContact O-N 3.27Å; L19-G22 PolarHBondContact O-N 2.89Å; Q20-G22 PolarHBondContact O-N 3.23Å
23A94.4Very high94.6Very high35 Ų3567.4 Ų67.429%0.28937%0.365SS..  trans-61.4138.7174.400000111.4I3 L18 I25I3-A23 HydrophobicContact CD1-CB 3.61Å; I3-A23 HydrophobicContact CG1-CB 3.93Å; L18-A23 HydrophobicContact CB-CB 4.09Å; L18-A23 WeakPolarHBondContact O-CB 3.38Å; L18-A23 PolarHBondContact O-N 2.79Å; A23-I25 PolarHBondContact O-N 3.23Å
24A94.8Very high94.7Very high63 Ų6360.8 Ų60.852%0.52133%0.334SS..  trans-69.4100.8-17500000112.5N26 R27A24-N26 VanDerWaalsContact C-N 3.28Å; A24-N26 PolarHBondContact O-N 3.11Å; A24-R27 HydrophobicContact CB-CB 4.14Å; A24-R27 WeakPolarHBondContact O-CB 3.3Å; A24-R27 PolarHBondContact O-N 3.27Å
25I94.8Very high94.8Very high25 Ų2557.3 Ų57.313%0.12831%0.312CS..THydrogen-bonded Turntrans-56.8-33.3-175.8-17568.8000114.2L19 A23 P34 L50 A55L19-I25 HydrophobicContact CD1-CD1 4.32Å; L19-I25 HydrophobicContact CD2-CB 4.2Å; L19-I25 HydrophobicContact CD2-CD1 3.52Å; L19-I25 HydrophobicContact CD2-CG1 4.42Å; A23-I25 PolarHBondContact O-N 3.23Å; I25-P34 WeakPolarHBondContact O-CD 3.17Å; I25-P34 WeakPolarHBondContact O-CG 3.43Å; I25-L50 HydrophobicContact CD1-CB 4.09Å; I25-L50 HydrophobicContact CD1-CD2 3.29Å; I25-L50 HydrophobicContact CD1-CG 4.27Å; I25-A55 HydrophobicContact CD1-CB 4.21Å; I25-A55 HydrophobicContact CG1-CB 3.83Å
26N94.8Very high94.9Very high46 Ų4657.2 Ų57.225%0.24631%0.312CS..THydrogen-bonded Turntrans-104.818.1-175-68.3-52.8000113.7A24 G54 K56A24-N26 VanDerWaalsContact C-N 3.28Å; A24-N26 PolarHBondContact O-N 3.11Å; N26-G54 PolarHBondContact ND2-O 3.17Å; N26-K56 PolarHBondContact OD1-N 3.27Å
27R93.9Very high94.9Very high172 Ų17255 Ų5565%0.64930%0.3SS*.  trans-69.7140.5-178.6-162.372.1174.1164-0.2110.9H4 A24 P29H4-R27 PolarHBondContact CE1-O 2.82Å; H4-R27 PolarHBondContact NE2-O 3.17Å; A24-R27 HydrophobicContact CB-CB 4.14Å; A24-R27 WeakPolarHBondContact O-CB 3.3Å; A24-R27 PolarHBondContact O-N 3.27Å; R27-P29 VanDerWaalsContact O-CD 3.27Å; R27-P29 WeakPolarHBondContact O-CD 3.08Å
28M94.3Very high94.9Very high67 Ų6751.3 Ų51.333%0.3328%0.278SS..  trans-121.660.7-178.9-63.517459.400113.2N30 G31 K32 T33 L60M28-N30 VanDerWaalsContact C-N 3.3Å; M28-N30 PolarHBondContact O-N 3.33Å; M28-G31 VanDerWaalsContact CE-O 3.23Å; M28-G31 WeakPolarHBondContact CE-O 3.3Å; M28-G31 PolarHBondContact O-N 3.09Å; M28-G31 VanDerWaalsContact O-N 3.17Å; M28-K32 WeakPolarHBondContact CA-O 3.48Å; M28-T33 HydrophobicContact CG-CG2 3.53Å; M28-T33 HydrophobicContact SD-CG2 4.01Å; M28-L60 WeakPolarHBondContact CE-O 3.42Å
29P90.3Very high95Very high55 Ų5548.6 Ų48.636%0.35726%0.264SS..THydrogen-bonded Turntrans-62.1-34.7-175.327.4-34.9000113.6M1 H4 R27M1-P29 HydrophobicContact CG-CB 3.98Å; M1-P29 HydrophobicContact CG-CG 4.01Å; M1-P29 HydrophobicContact SD-CB 3.32Å; M1-P29 WeakPolarHBondContact SD-CB 3.44Å; M1-P29 HydrophobicContact SD-CG 3.04Å; M1-P29 WeakPolarHBondContact SD-CG 3.5Å; H4-P29 WeakPolarHBondContact CE1-CD 3.46Å; R27-P29 VanDerWaalsContact O-CD 3.27Å; R27-P29 WeakPolarHBondContact O-CD 3.08Å
30N86.9Confident95Very high123 Ų12351.9 Ų51.966%0.65828%0.279SS*.THydrogen-bonded Turntrans-112.628.2175.4-62-9.2000111.2M28 K32M28-N30 VanDerWaalsContact C-N 3.3Å; M28-N30 PolarHBondContact O-N 3.33Å; N30-K32 PolarHBondContact O-N 3.32Å
31G93.9Very high95Very high3 Ų349.1 Ų49.13%0.03127%0.27CS..SBendtrans72.58.2-178.600000116.9M28 S61 L62M28-G31 VanDerWaalsContact CE-O 3.23Å; M28-G31 WeakPolarHBondContact CE-O 3.3Å; M28-G31 PolarHBondContact O-N 3.09Å; M28-G31 VanDerWaalsContact O-N 3.17Å; G31-S61 CarbonylContact O-C 3.57Å; G31-S61 WeakPolarHBondContact O-CA 3.31Å; G31-S61 VanDerWaalsContact O-CB 3.23Å; G31-S61 WeakPolarHBondContact O-CB 3.4Å; G31-L62 PolarHBondContact O-N 2.9Å
32K96.6Very high95.1Very high46 Ų4642 Ų4220%0.224%0.243CC..  trans-123.5138.9171.7-73.8178178177.90109.5H4 M28 N30 H36 V37 E40 Y70H4-K32 PolarHBondContact NE2-O 3.09Å; M28-K32 WeakPolarHBondContact CA-O 3.48Å; N30-K32 PolarHBondContact O-N 3.32Å; K32-H36 HydrophobicContact CB-CB 3.96Å; K32-H36 HydrophobicContact CD-CB 4.47Å; K32-H36 HydrophobicContact CG-CB 4.14Å; K32-V37 HydrophobicContact CB-CG2 4.12Å; K32-V37 HydrophobicContact CD-CG2 4.42Å; K32-E40 IonicContact NZ-OE1 2.7Å; K32-E40 PolarHBondContact NZ-OE1 2.92Å; K32-E40 IonicContact NZ-OE2 3.42Å; K32-E40 PolarHBondContact NZ-OE2 3.47Å; K32-Y70 HydrophobicContact CD-CE1 4.43Å; K32-Y70 VanDerWaalsContact CE-CZ 3.42Å; K32-Y70 VanDerWaalsContact CE-OH 3.25Å; K32-Y70 WeakPolarHBondContact CE-OH 3.34Å
33T96.8Very high95.2Very high0 Ų039.7 Ų39.70%022%0.215CC..  trans-72.8161.4165.370.20000109.3M28 L35 H36 V37M28-T33 HydrophobicContact CG-CG2 3.53Å; M28-T33 HydrophobicContact SD-CG2 4.01Å; T33-L35 PolarHBondContact O-N 2.83Å; T33-L35 VanDerWaalsContact O-N 3.17Å; T33-L35 PolarHBondContact OG1-N 3.05Å; T33-H36 PolarHBondContact N-ND1 3.46Å; T33-H36 VanDerWaalsContact N-ND1 3.11Å; T33-H36 WeakPolarHBondContact O-CB 3.11Å; T33-H36 PolarHBondContact O-N 2.99Å; T33-H36 VanDerWaalsContact O-N 3.13Å; T33-H36 PolarHBondContact OG1-N 2.74Å; T33-H36 PolarHBondContact OG1-ND1 3.23Å; T33-V37 PolarHBondContact O-N 3.4Å
34P96.8Very high95.3Very high0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-54-32.1171.6-25.234.9000113I3 H4 V7 I25 V37 A38 L50I3-P34 HydrophobicContact CB-CB 4.46Å; I3-P34 HydrophobicContact CB-CG 4.08Å; I3-P34 HydrophobicContact CG2-CB 3.69Å; I3-P34 HydrophobicContact CG2-CG 3.76Å; H4-P34 WeakPolarHBondContact NE2-CD 3.46Å; V7-P34 HydrophobicContact CG2-CB 4.35Å; I25-P34 WeakPolarHBondContact O-CD 3.17Å; I25-P34 WeakPolarHBondContact O-CG 3.43Å; P34-V37 PolarHBondContact O-N 3.18Å; P34-A38 PolarHBondContact O-N 3.43Å; P34-L50 HydrophobicContact CB-CD1 3.95Å; P34-L50 HydrophobicContact CB-CD2 3.82Å
35L97Very high95.4Very high1 Ų142.6 Ų42.61%0.00522%0.216CC..Hα-helixtrans-66-39.7178.5-171.363.1000112.5T33 V37 A38 C39 V47 L50 L51 A55 V57 P67 L83T33-L35 PolarHBondContact O-N 2.83Å; T33-L35 VanDerWaalsContact O-N 3.17Å; T33-L35 PolarHBondContact OG1-N 3.05Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.21Å; L35-A38 PolarHBondContact O-N 2.95Å; L35-C39 PolarHBondContact O-N 2.95Å; L35-C39 VanDerWaalsContact O-N 3.15Å; L35-C39 PolarHBondContact O-SG 3.49Å; L35-V47 HydrophobicContact CD1-CB 4.44Å; L35-V47 HydrophobicContact CD1-CG1 4.12Å; L35-V47 HydrophobicContact CD1-CG2 4.24Å; L35-L50 HydrophobicContact CB-CD1 4.44Å; L35-L50 HydrophobicContact CD1-CB 4.23Å; L35-L50 HydrophobicContact CD1-CD1 4.33Å; L35-L51 HydrophobicContact CD1-CD2 4.06Å; L35-L51 HydrophobicContact CD1-CG 4.44Å; L35-L51 HydrophobicContact CD2-CD2 3.91Å; L35-A55 HydrophobicContact CB-CB 4.3Å; L35-A55 HydrophobicContact CD2-CB 4.03Å; L35-V57 HydrophobicContact CD2-CG2 4.34Å; L35-P67 HydrophobicContact CB-CG 4.45Å; L35-P67 HydrophobicContact CD2-CB 4.3Å; L35-P67 HydrophobicContact CD2-CG 3.94Å; L35-P67 HydrophobicContact CG-CB 4.07Å; L35-P67 HydrophobicContact CG-CG 4.05Å; L35-L83 HydrophobicContact CD1-CD2 3.97Å; L35-L83 HydrophobicContact CD2-CD2 3.92Å; L35-L83 HydrophobicContact CG-CD2 4.13Å
36H97.6Very high95.5Very high0 Ų041.5 Ų41.50%021%0.21CC..Hα-helixtrans-60.2-46173-66.294.5000111K32 T33 A38 C39 E40 S59 S61 H65 P67 Y70K32-H36 HydrophobicContact CB-CB 3.96Å; K32-H36 HydrophobicContact CD-CB 4.47Å; K32-H36 HydrophobicContact CG-CB 4.14Å; T33-H36 PolarHBondContact N-ND1 3.46Å; T33-H36 VanDerWaalsContact N-ND1 3.11Å; T33-H36 WeakPolarHBondContact O-CB 3.11Å; T33-H36 PolarHBondContact O-N 2.99Å; T33-H36 VanDerWaalsContact O-N 3.13Å; T33-H36 PolarHBondContact OG1-N 2.74Å; T33-H36 PolarHBondContact OG1-ND1 3.23Å; H36-A38 VanDerWaalsContact C-N 3.32Å; H36-A38 PolarHBondContact O-N 3.32Å; H36-C39 PolarHBondContact O-N 3.43Å; H36-E40 PolarHBondContact O-N 3.47Å; H36-S59 PolarHBondContact CE1-O 3.47Å; H36-S59 VanDerWaalsContact CE1-O 3.3Å; H36-S59 PolarHBondContact NE2-O 3.32Å; H36-S61 PolarHBondContact NE2-N 3.28Å; H36-H65 PolarHBondContact NE2-O 3.02Å; H36-H65 VanDerWaalsContact NE2-O 3.08Å; H36-P67 WeakPolarHBondContact NE2-CD 3.46Å; H36-Y70 HydrophobicContact CB-CD2 4.13Å; H36-Y70 HydrophobicContact CB-CE2 4.26Å; H36-Y70 AromaticContact CD2-CD2 3.58Å; H36-Y70 AromaticContact CD2-CE2 3.48Å; H36-Y70 VanDerWaalsContact CD2-CE2 3.48Å; H36-Y70 WeakPolarHBondContact CD2-CE2 3.11Å
37V96.7Very high95.6Very high10 Ų1039.3 Ų39.36%0.06120%0.198CC..Hα-helixtrans-62.7-41.6179.7-179.80000110.7V7 M8 K32 T33 P34 L35 C39 E40 V41V7-V37 HydrophobicContact CB-CG1 4.42Å; V7-V37 HydrophobicContact CG1-CB 4.19Å; V7-V37 HydrophobicContact CG1-CG1 3.94Å; M8-V37 HydrophobicContact CG-CG1 3.47Å; M8-V37 VanDerWaalsContact CG-CG1 3.47Å; K32-V37 HydrophobicContact CB-CG2 4.12Å; K32-V37 HydrophobicContact CD-CG2 4.42Å; T33-V37 PolarHBondContact O-N 3.4Å; P34-V37 PolarHBondContact O-N 3.18Å; L35-V37 VanDerWaalsContact C-N 3.33Å; L35-V37 PolarHBondContact O-N 3.21Å; V37-C39 VanDerWaalsContact C-N 3.3Å; V37-C39 PolarHBondContact O-N 2.82Å; V37-E40 PolarHBondContact O-N 3.16Å; V37-V41 WeakPolarHBondContact O-CG2 3.23Å; V37-V41 PolarHBondContact O-N 2.97Å
38A96.9Very high95.7Very high0 Ų032.7 Ų32.70%018%0.181CC..Hα-helixtrans-60.7-39.417800000112.2V7 P34 L35 H36 S42 N43 C46 V47 L50V7-A38 HydrophobicContact CG1-CB 3.55Å; P34-A38 PolarHBondContact O-N 3.43Å; L35-A38 PolarHBondContact O-N 2.95Å; H36-A38 VanDerWaalsContact C-N 3.32Å; H36-A38 PolarHBondContact O-N 3.32Å; A38-S42 PolarHBondContact O-N 3.5Å; A38-N43 PolarHBondContact O-N 2.88Å; A38-C46 HydrophobicContact CB-CB 4Å; A38-V47 HydrophobicContact CB-CG2 3.68Å; A38-L50 HydrophobicContact CB-CD1 3.91Å
39C97.6Very high95.8Very high0 Ų030.7 Ų30.70%017%0.171CC..Hα-helixtrans-69.6-43.2177-60.80000111.9L35 H36 V37 V41 S42 P67 Y70L35-C39 PolarHBondContact O-N 2.95Å; L35-C39 VanDerWaalsContact O-N 3.15Å; L35-C39 PolarHBondContact O-SG 3.49Å; H36-C39 PolarHBondContact O-N 3.43Å; V37-C39 VanDerWaalsContact C-N 3.3Å; V37-C39 PolarHBondContact O-N 2.82Å; C39-V41 VanDerWaalsContact C-N 3.34Å; C39-V41 PolarHBondContact O-N 2.92Å; C39-S42 PolarHBondContact O-N 3.47Å; C39-S42 VanDerWaalsContact O-N 3.09Å; C39-P67 WeakPolarHBondContact CB-O 3.45Å; C39-Y70 CarbonylContact C-O 3.51Å
40E96.3Very high96.1Very high81 Ų8128.1 Ų28.138%0.37915%0.154SC..Hα-helixtrans-61.4-39.6178.4-178.6173.4-140.800112.4K32 H36 V37 S42 Y70K32-E40 IonicContact NZ-OE1 2.7Å; K32-E40 PolarHBondContact NZ-OE1 2.92Å; K32-E40 IonicContact NZ-OE2 3.42Å; K32-E40 PolarHBondContact NZ-OE2 3.47Å; H36-E40 PolarHBondContact O-N 3.47Å; V37-E40 PolarHBondContact O-N 3.16Å; E40-S42 VanDerWaalsContact C-N 3.3Å; E40-Y70 WeakPolarHBondContact CA-O 3.48Å; E40-Y70 HydrophobicContact CB-CD1 4.12Å; E40-Y70 HydrophobicContact CB-CG 4.46Å; E40-Y70 HydrophobicContact CG-CD1 4.32Å
41V96.3Very high96.5Very high62 Ų6222.6 Ų22.638%0.37613%0.125SC..THydrogen-bonded Turntrans-90.19176.5-51.70000113.3V7 V37 C39 N43V7-V41 HydrophobicContact CG1-CG2 4.43Å; V37-V41 WeakPolarHBondContact O-CG2 3.23Å; V37-V41 PolarHBondContact O-N 2.97Å; C39-V41 VanDerWaalsContact C-N 3.34Å; C39-V41 PolarHBondContact O-N 2.92Å; V41-N43 VanDerWaalsContact C-N 3.28Å; V41-N43 HydrophobicContact CG2-CB 3.86Å; V41-N43 PolarHBondContact O-N 3.34Å
42S97.2Very high96.5Very high28 Ų2826.5 Ų26.520%0.19616%0.157CC..THydrogen-bonded Turntrans57.132.6177.3-55.20000115.3A38 C39 E40 S44 S76A38-S42 PolarHBondContact O-N 3.5Å; C39-S42 PolarHBondContact O-N 3.47Å; C39-S42 VanDerWaalsContact O-N 3.09Å; E40-S42 VanDerWaalsContact C-N 3.3Å; S42-S44 PolarHBondContact O-N 3.2Å; S42-S76 WeakPolarHBondContact OG-CB 3.37Å; S42-S76 PolarHBondContact OG-N 2.83Å
43N96.1Very high96.5Very high16 Ų1628.7 Ų28.79%0.08616%0.164CC..  trans-96.891.9-176.4-172.9-23.1000112.2N10 A38 V41 E45 C46 V47 C79N10-N43 PolarHBondContact OD1-ND2 3.23Å; A38-N43 PolarHBondContact O-N 2.88Å; V41-N43 VanDerWaalsContact C-N 3.28Å; V41-N43 HydrophobicContact CG2-CB 3.86Å; V41-N43 PolarHBondContact O-N 3.34Å; N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 2.97Å; N43-E45 PolarHBondContact OD1-N 3.46Å; N43-C46 HydrophobicContact CB-CB 4.12Å; N43-C46 PolarHBondContact ND2-SG 3.1Å; N43-C46 PolarHBondContact O-N 2.94Å; N43-C46 PolarHBondContact OD1-N 3.19Å; N43-V47 WeakPolarHBondContact O-CG2 3.48Å; N43-V47 PolarHBondContact O-N 3.48Å; N43-C79 VanDerWaalsContact C-SG 3.59Å
44S95.9Very high96.3Very high36 Ų3631 Ų3125%0.25219%0.188SC..Hα-helixtrans-68.4-26.2-177.461.20000113.9S42 V47 A48 C79 Q82S42-S44 PolarHBondContact O-N 3.2Å; S44-V47 PolarHBondContact O-N 3.38Å; S44-A48 PolarHBondContact O-N 3.34Å; S44-C79 PolarHBondContact N-SG 3.23Å; S44-C79 VanDerWaalsContact N-SG 3.45Å; S44-Q82 PolarHBondContact O-NE2 2.95Å; S44-Q82 PolarHBondContact O-OE1 2.92Å
45E96.4Very high96.3Very high124 Ų12431.3 Ų31.358%0.57919%0.191SC*.Hα-helixtrans-69.7-45.1175-65.8-177.4-177.800111V12 N43 V47 A48 L49V12-E45 HydrophobicContact CG2-CB 4.22Å; N43-E45 VanDerWaalsContact C-N 3.32Å; N43-E45 PolarHBondContact O-N 2.97Å; N43-E45 PolarHBondContact OD1-N 3.46Å; E45-V47 VanDerWaalsContact C-N 3.34Å; E45-A48 PolarHBondContact O-N 2.79Å; E45-L49 WeakPolarHBondContact O-CB 3.04Å; E45-L49 PolarHBondContact O-N 3.21Å
46C96.6Very high96.2Very high1 Ų137.5 Ų37.51%0.00722%0.218CC..Hα-helixtrans-62.7-41.1172.3-79.80000111.4V7 A38 N43 A48 L49 L50V7-C46 HydrophobicContact CG1-CB 4.18Å; V7-C46 HydrophobicContact CG2-CB 4.23Å; A38-C46 HydrophobicContact CB-CB 4Å; N43-C46 HydrophobicContact CB-CB 4.12Å; N43-C46 PolarHBondContact ND2-SG 3.1Å; N43-C46 PolarHBondContact O-N 2.94Å; N43-C46 PolarHBondContact OD1-N 3.19Å; C46-A48 PolarHBondContact O-N 2.95Å; C46-L49 PolarHBondContact O-N 3.35Å; C46-L50 VanDerWaalsContact O-CB 3.31Å; C46-L50 WeakPolarHBondContact O-CB 3.32Å; C46-L50 WeakPolarHBondContact O-CD1 3.27Å; C46-L50 WeakPolarHBondContact O-CG 3.43Å; C46-L50 PolarHBondContact O-N 3.43Å
47V96.9Very high96.1Very high0 Ų038.1 Ų38.10%022%0.221CC..Hα-helixtrans-56.8-51.9173.9171.30000110.3L35 A38 N43 S44 E45 L49 L50 L51 C79 Q82 L83L35-V47 HydrophobicContact CD1-CB 4.44Å; L35-V47 HydrophobicContact CD1-CG1 4.12Å; L35-V47 HydrophobicContact CD1-CG2 4.24Å; A38-V47 HydrophobicContact CB-CG2 3.68Å; N43-V47 WeakPolarHBondContact O-CG2 3.48Å; N43-V47 PolarHBondContact O-N 3.48Å; S44-V47 PolarHBondContact O-N 3.38Å; E45-V47 VanDerWaalsContact C-N 3.34Å; V47-L49 VanDerWaalsContact C-N 3.34Å; V47-L49 PolarHBondContact O-N 3.1Å; V47-L50 PolarHBondContact O-N 3.4Å; V47-L51 HydrophobicContact CG1-CD1 3.84Å; V47-L51 HydrophobicContact CG1-CG 4.15Å; V47-L51 VanDerWaalsContact O-CG 3.26Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 2.79Å; V47-C79 HydrophobicContact CG2-CB 3.94Å; V47-Q82 HydrophobicContact CG1-CB 4Å; V47-L83 HydrophobicContact CG1-CD2 4.15Å
48A96.1Very high96Very high34 Ų3440.3 Ų40.328%0.28123%0.233SC..Hα-helixtrans-56.2-46.6179.500000112.5S44 E45 C46 A52 Q82S44-A48 PolarHBondContact O-N 3.34Å; E45-A48 PolarHBondContact O-N 2.79Å; C46-A48 PolarHBondContact O-N 2.95Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 3.08Å; A48-Q82 VanDerWaalsContact N-OE1 3.13Å
49L96.4Very high95.9Very high24 Ų2441.5 Ų41.513%0.12624%0.241CC..Hα-helixtrans-61-48.4177.517563.4000111.5V12 A15 L16 L19 E45 C46 V47 L51 A52 Y53V12-L49 HydrophobicContact CG1-CD2 4.03Å; A15-L49 HydrophobicContact CB-CD2 3.95Å; L16-L49 HydrophobicContact CB-CD1 4.33Å; L16-L49 HydrophobicContact CB-CD2 4.15Å; L16-L49 HydrophobicContact CD1-CD1 3.7Å; L19-L49 HydrophobicContact CD1-CD1 4.2Å; L19-L49 HydrophobicContact CD1-CD2 4.1Å; L19-L49 HydrophobicContact CD1-CG 3.86Å; E45-L49 WeakPolarHBondContact O-CB 3.04Å; E45-L49 PolarHBondContact O-N 3.21Å; C46-L49 PolarHBondContact O-N 3.35Å; V47-L49 VanDerWaalsContact C-N 3.34Å; V47-L49 PolarHBondContact O-N 3.1Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L49-L51 PolarHBondContact O-N 3.12Å; L49-A52 PolarHBondContact O-N 3.13Å; L49-Y53 HydrophobicContact CD1-CD2 3.84Å; L49-Y53 HydrophobicContact CD1-CE2 3.66Å; L49-Y53 WeakPolarHBondContact O-CD2 3.35Å; L49-Y53 PolarHBondContact O-N 3.15Å
50L96.3Very high95.9Very high1 Ų144.1 Ų44.11%0.00526%0.255CS..Hα-helixtrans-64.8-40.3-177.4-67169000111.4I3 V7 L19 I25 P34 L35 A38 C46 V47 Y53 G54 A55I3-L50 HydrophobicContact CG2-CD2 3.9Å; V7-L50 HydrophobicContact CG2-CD1 4.11Å; L19-L50 HydrophobicContact CD1-CD2 4.39Å; I25-L50 HydrophobicContact CD1-CB 4.09Å; I25-L50 HydrophobicContact CD1-CD2 3.29Å; I25-L50 HydrophobicContact CD1-CG 4.27Å; P34-L50 HydrophobicContact CB-CD1 3.95Å; P34-L50 HydrophobicContact CB-CD2 3.82Å; L35-L50 HydrophobicContact CB-CD1 4.44Å; L35-L50 HydrophobicContact CD1-CB 4.23Å; L35-L50 HydrophobicContact CD1-CD1 4.33Å; A38-L50 HydrophobicContact CB-CD1 3.91Å; C46-L50 VanDerWaalsContact O-CB 3.31Å; C46-L50 WeakPolarHBondContact O-CB 3.32Å; C46-L50 WeakPolarHBondContact O-CD1 3.27Å; C46-L50 WeakPolarHBondContact O-CG 3.43Å; C46-L50 PolarHBondContact O-N 3.43Å; V47-L50 PolarHBondContact O-N 3.4Å; L50-Y53 PolarHBondContact O-N 3.36Å; L50-G54 PolarHBondContact O-N 3.5Å; L50-A55 HydrophobicContact CB-CB 3.99Å; L50-A55 WeakPolarHBondContact O-CB 3.11Å; L50-A55 PolarHBondContact O-N 3.28Å
51L95.6Very high95.9Very high8 Ų840.6 Ų40.64%0.04224%0.239CC..Hα-helixtrans-63.1-44.1175.4-65.6-177000111.4L35 V47 L49 Y53 G54 V57 Q82 L83 E87L35-L51 HydrophobicContact CD1-CD2 4.06Å; L35-L51 HydrophobicContact CD1-CG 4.44Å; L35-L51 HydrophobicContact CD2-CD2 3.91Å; V47-L51 HydrophobicContact CG1-CD1 3.84Å; V47-L51 HydrophobicContact CG1-CG 4.15Å; V47-L51 VanDerWaalsContact O-CG 3.26Å; V47-L51 WeakPolarHBondContact O-CG 3.29Å; V47-L51 PolarHBondContact O-N 2.79Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L49-L51 PolarHBondContact O-N 3.12Å; L51-Y53 PolarHBondContact O-N 3.04Å; L51-Y53 VanDerWaalsContact O-N 3.12Å; L51-G54 PolarHBondContact O-N 3.41Å; L51-V57 HydrophobicContact CD2-CG2 3.38Å; L51-Q82 HydrophobicContact CD1-CB 4.29Å; L51-L83 HydrophobicContact CD1-CD2 4.45Å; L51-L83 HydrophobicContact CD2-CD2 4.22Å; L51-E87 HydrophobicContact CB-CG 4.29Å; L51-E87 HydrophobicContact CD1-CG 4.17Å; L51-E87 HydrophobicContact CD2-CG 4.1Å; L51-E87 HydrophobicContact CG-CG 4.4Å
52A94.9Very high96Very high84 Ų8444.7 Ų44.769%0.69426%0.258SS*.Hα-helixtrans-59.9-25177.300000113.7A48 L49A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 3.08Å; L49-A52 PolarHBondContact O-N 3.13Å
53Y95.4Very high95.9Very high92 Ų9245.9 Ų45.936%0.36127%0.266SS..THydrogen-bonded Turntrans-98.116.5175.9-80.5-97.4000113.6L16 L19 Q20 L49 L50 L51L16-Y53 HydrophobicContact CD1-CE2 3.86Å; L16-Y53 WeakPolarHBondContact CD1-OH 3.34Å; L19-Y53 HydrophobicContact CB-CD1 3.79Å; L19-Y53 HydrophobicContact CB-CD2 4.45Å; L19-Y53 HydrophobicContact CB-CE1 3.85Å; L19-Y53 HydrophobicContact CB-CE2 4.5Å; L19-Y53 HydrophobicContact CB-CG 4.11Å; L19-Y53 HydrophobicContact CD1-CD2 3.97Å; L19-Y53 HydrophobicContact CD1-CE2 4.48Å; L19-Y53 HydrophobicContact CD1-CG 3.98Å; L19-Y53 HydrophobicContact CG-CG 4.46Å; Q20-Y53 WeakPolarHBondContact CG-OH 3.49Å; L49-Y53 HydrophobicContact CD1-CD2 3.84Å; L49-Y53 HydrophobicContact CD1-CE2 3.66Å; L49-Y53 WeakPolarHBondContact O-CD2 3.35Å; L49-Y53 PolarHBondContact O-N 3.15Å; L50-Y53 PolarHBondContact O-N 3.36Å; L51-Y53 PolarHBondContact O-N 3.04Å; L51-Y53 VanDerWaalsContact O-N 3.12Å
54G93.6Very high96Very high49 Ų4945.3 Ų45.351%0.50526%0.264SS..THydrogen-bonded Turntrans78.333.3172.700000114.5N26 L50 L51 K56N26-G54 PolarHBondContact ND2-O 3.17Å; L50-G54 PolarHBondContact O-N 3.5Å; L51-G54 PolarHBondContact O-N 3.41Å; G54-K56 PolarHBondContact O-N 2.91Å
55A95.8Very high96.1Very high6 Ų645.5 Ų45.55%0.0526%0.261CS..  trans-61.3134.5169.400000111.1I25 L35 L50 V57I25-A55 HydrophobicContact CD1-CB 4.21Å; I25-A55 HydrophobicContact CG1-CB 3.83Å; L35-A55 HydrophobicContact CB-CB 4.3Å; L35-A55 HydrophobicContact CD2-CB 4.03Å; L50-A55 HydrophobicContact CB-CB 3.99Å; L50-A55 WeakPolarHBondContact O-CB 3.11Å; L50-A55 PolarHBondContact O-N 3.28Å; A55-V57 PolarHBondContact O-N 3.03Å
56K95.1Very high96.1Very high132 Ų13239.7 Ų39.757%0.57423%0.234SC*.  trans-75.5109.7178.9-73.1176.4-179.1-174.30110.3N26 G54 N58 S59N26-K56 PolarHBondContact OD1-N 3.27Å; G54-K56 PolarHBondContact O-N 2.91Å; K56-N58 VanDerWaalsContact C-N 3.34Å; K56-N58 PolarHBondContact O-N 3.36Å; K56-S59 WeakPolarHBondContact CB-OG 3.29Å; K56-S59 PolarHBondContact O-N 3Å
57V95.6Very high96.2Very high12 Ų1239.6 Ų39.67%0.07323%0.234CC..THydrogen-bonded Turntrans-68.1-29.7-174.1178.90000114.2L35 L51 A55 P67 L83 E87 A89L35-V57 HydrophobicContact CD2-CG2 4.34Å; L51-V57 HydrophobicContact CD2-CG2 3.38Å; A55-V57 PolarHBondContact O-N 3.03Å; V57-P67 WeakPolarHBondContact O-CD 3.24Å; V57-P67 WeakPolarHBondContact O-CG 3.26Å; V57-L83 HydrophobicContact CG1-CB 4.18Å; V57-L83 HydrophobicContact CG1-CD2 4.04Å; V57-E87 HydrophobicContact CB-CB 4.33Å; V57-E87 HydrophobicContact CG2-CB 3.39Å; V57-E87 HydrophobicContact CG2-CG 4.04Å; V57-A89 HydrophobicContact CG1-CB 3.52Å
58N95.3Very high96.2Very high57 Ų5739.9 Ų39.931%0.30524%0.235SC..THydrogen-bonded Turntrans-108.119.7-177.7-61.5-60.1000112.7K56 K90K56-N58 VanDerWaalsContact C-N 3.34Å; K56-N58 PolarHBondContact O-N 3.36Å; N58-K90 PolarHBondContact OD1-N 2.97Å
59S94.8Very high96.3Very high25 Ų2538.5 Ų38.518%0.17522%0.223CC..PPolyproline II helixtrans-64.2143.2173.9-830000110.7H36 K56 T66 P67H36-S59 PolarHBondContact CE1-O 3.47Å; H36-S59 VanDerWaalsContact CE1-O 3.3Å; H36-S59 PolarHBondContact NE2-O 3.32Å; K56-S59 WeakPolarHBondContact CB-OG 3.29Å; K56-S59 PolarHBondContact O-N 3Å; S59-T66 WeakPolarHBondContact O-CA 3.26Å; S59-P67 VanDerWaalsContact O-CD 3.32Å; S59-P67 WeakPolarHBondContact O-CD 3.34Å
60L97Very high96.4Very high55 Ų5538.4 Ų38.429%0.28822%0.221SC..PPolyproline II helixtrans-92.3138.7174.8-61.7168.1000109.8M28 G64 H65 T66 H96M28-L60 WeakPolarHBondContact CE-O 3.42Å; L60-G64 WeakPolarHBondContact CD2-O 3.45Å; L60-H65 CarbonylContact C-O 3.35Å; L60-H65 WeakPolarHBondContact CA-O 3.32Å; L60-T66 HydrophobicContact CD2-CG2 3.76Å; L60-H96 HydrophobicContact CD1-CB 4.05Å; L60-H96 VanDerWaalsContact CD1-ND1 3.3Å; L60-H96 WeakPolarHBondContact CD1-ND1 3.41Å
61S97.4Very high96.4Very high7 Ų738.4 Ų38.45%0.04922%0.221CC..PPolyproline II helixtrans-70.4169.2165.1650000111.1G31 H36 S63 G64 H65 Y70G31-S61 CarbonylContact O-C 3.57Å; G31-S61 WeakPolarHBondContact O-CA 3.31Å; G31-S61 VanDerWaalsContact O-CB 3.23Å; G31-S61 WeakPolarHBondContact O-CB 3.4Å; H36-S61 PolarHBondContact NE2-N 3.28Å; S61-S63 PolarHBondContact O-N 3.49Å; S61-S63 PolarHBondContact OG-OG 2.94Å; S61-G64 WeakPolarHBondContact O-CA 3.06Å; S61-G64 PolarHBondContact O-N 3.28Å; S61-H65 PolarHBondContact N-O 2.94Å; S61-H65 PolarHBondContact OG-N 3.08Å; S61-H65 VanDerWaalsContact OG-N 3.11Å; S61-H65 PolarHBondContact OG-O 3.24Å; S61-Y70 PolarHBondContact OG-OH 3.02Å
62L97Very high96.4Very high148 Ų14841 Ų4178%0.77523%0.234SC*.THydrogen-bonded Turntrans-61-25.3172.1-78.6178.9000112.8G31 G64G31-L62 PolarHBondContact O-N 2.9Å; L62-G64 PolarHBondContact O-N 3.14Å
63S96.3Very high96.5Very high53 Ų5338.4 Ų38.437%0.37121%0.213SC..THydrogen-bonded Turntrans-838.9171.250.20000114S61 H65 Y70 N97S61-S63 PolarHBondContact O-N 3.49Å; S61-S63 PolarHBondContact OG-OG 2.94Å; S63-H65 VanDerWaalsContact C-N 3.3Å; S63-H65 PolarHBondContact O-N 3.36Å; S63-Y70 PolarHBondContact OG-OH 2.82Å; S63-N97 WeakPolarHBondContact O-CB 3.28Å; S63-N97 PolarHBondContact O-ND2 3.31Å
64G97.3Very high96.5Very high4 Ų440.4 Ų40.44%0.04122%0.219CC..SBendtrans77.85.8176.300000115.4L60 S61 L62 S95 H96L60-G64 WeakPolarHBondContact CD2-O 3.45Å; S61-G64 WeakPolarHBondContact O-CA 3.06Å; S61-G64 PolarHBondContact O-N 3.28Å; L62-G64 PolarHBondContact O-N 3.14Å; G64-S95 CarbonylContact O-C 3.45Å; G64-S95 WeakPolarHBondContact O-CA 3.33Å; G64-S95 WeakPolarHBondContact O-CB 3.48Å; G64-H96 WeakPolarHBondContact CA-O 3.48Å; G64-H96 PolarHBondContact O-N 2.9Å
65H98Very high96.7Very high40 Ų4044.3 Ų44.319%0.18523%0.225CC..  trans-91.6142-177.4-67.9129.9000111.7H36 L60 S61 S63 H69 Y70 S95 N97H36-H65 PolarHBondContact NE2-O 3.02Å; H36-H65 VanDerWaalsContact NE2-O 3.08Å; L60-H65 CarbonylContact C-O 3.35Å; L60-H65 WeakPolarHBondContact CA-O 3.32Å; S61-H65 PolarHBondContact N-O 2.94Å; S61-H65 PolarHBondContact OG-N 3.08Å; S61-H65 VanDerWaalsContact OG-N 3.11Å; S61-H65 PolarHBondContact OG-O 3.24Å; S63-H65 VanDerWaalsContact C-N 3.3Å; S63-H65 PolarHBondContact O-N 3.36Å; H65-H69 HydrophobicContact CB-CB 3.89Å; H65-Y70 HydrophobicContact CB-CD2 4.15Å; H65-Y70 HydrophobicContact CB-CE2 3.43Å; H65-Y70 VanDerWaalsContact CB-CE2 3.43Å; H65-S95 VanDerWaalsContact CD2-CB 3.48Å; H65-S95 WeakPolarHBondContact CD2-CB 3.29Å; H65-N97 PolarHBondContact CE1-ND2 3.45Å; H65-N97 PolarHBondContact NE2-ND2 3.35Å
66T97.6Very high96.7Very high1 Ų144 Ų441%0.00622%0.222CC..  trans-78.4164.9165.172.40000110.6S59 L60 L68 H69 Y70 T93S59-T66 WeakPolarHBondContact O-CA 3.26Å; L60-T66 HydrophobicContact CD2-CG2 3.76Å; T66-L68 PolarHBondContact O-N 2.87Å; T66-L68 VanDerWaalsContact O-N 3.16Å; T66-L68 PolarHBondContact OG1-N 3.12Å; T66-H69 PolarHBondContact N-ND1 3.24Å; T66-H69 VanDerWaalsContact N-ND1 3.12Å; T66-H69 WeakPolarHBondContact O-CB 3.45Å; T66-H69 PolarHBondContact O-N 3.23Å; T66-H69 PolarHBondContact OG1-CE1 3.11Å; T66-H69 PolarHBondContact OG1-ND1 3.36Å; T66-Y70 WeakPolarHBondContact O-CD2 3.37Å; T66-T93 HydrophobicContact CG2-CG2 3.79Å
67P97.6Very high96.9Very high0 Ų038.5 Ų38.50%020%0.199CC..G310 helixtrans-53.4-34.6173.6-27.235.2000113.4L35 H36 C39 V57 S59 H69 Y70 L83L35-P67 HydrophobicContact CB-CG 4.45Å; L35-P67 HydrophobicContact CD2-CB 4.3Å; L35-P67 HydrophobicContact CD2-CG 3.94Å; L35-P67 HydrophobicContact CG-CB 4.07Å; L35-P67 HydrophobicContact CG-CG 4.05Å; H36-P67 WeakPolarHBondContact NE2-CD 3.46Å; C39-P67 WeakPolarHBondContact CB-O 3.45Å; V57-P67 WeakPolarHBondContact O-CD 3.24Å; V57-P67 WeakPolarHBondContact O-CG 3.26Å; S59-P67 VanDerWaalsContact O-CD 3.32Å; S59-P67 WeakPolarHBondContact O-CD 3.34Å; P67-H69 VanDerWaalsContact C-N 3.28Å; P67-H69 PolarHBondContact O-N 3.4Å; P67-Y70 PolarHBondContact O-N 3.47Å; P67-L83 HydrophobicContact CB-CD1 4.02Å
68L97.6Very high97Very high6 Ų641.7 Ų41.73%0.03121%0.214CC..G310 helixtrans-64.9-29.1179.6-168.360.2000112.9T66 Y70 C71 A80 L83 I84 A89 V91 P103 L119T66-L68 PolarHBondContact O-N 2.87Å; T66-L68 VanDerWaalsContact O-N 3.16Å; T66-L68 PolarHBondContact OG1-N 3.12Å; L68-Y70 VanDerWaalsContact C-N 3.26Å; L68-Y70 PolarHBondContact O-N 3.4Å; L68-C71 WeakPolarHBondContact O-CB 3.42Å; L68-C71 PolarHBondContact O-N 2.98Å; L68-A80 HydrophobicContact CD1-CB 3.64Å; L68-L83 HydrophobicContact CB-CD1 4.27Å; L68-L83 HydrophobicContact CD1-CD1 4.14Å; L68-I84 HydrophobicContact CD1-CD1 4.25Å; L68-I84 HydrophobicContact CD1-CG1 4.31Å; L68-I84 HydrophobicContact CD2-CD1 4.48Å; L68-I84 HydrophobicContact CD2-CG1 4.32Å; L68-A89 HydrophobicContact CD2-CB 4.35Å; L68-V91 HydrophobicContact CD2-CG1 4.38Å; L68-P103 HydrophobicContact CB-CG 4.32Å; L68-P103 HydrophobicContact CD2-CB 3.92Å; L68-P103 HydrophobicContact CD2-CG 3.85Å; L68-P103 HydrophobicContact CG-CB 3.91Å; L68-P103 HydrophobicContact CG-CG 4.09Å; L68-L119 HydrophobicContact CD1-CD2 4.5Å; L68-L119 HydrophobicContact CD2-CD2 3.88Å; L68-L119 HydrophobicContact CG-CD2 4.35Å
69H98.3Very high97.1Very high5 Ų539 Ų392%0.02320%0.199CC..G310 helixtrans-71.3-20.9173.1-63.383.6000112.6H65 T66 P67 C71 I72 T93 D101 P103 T106H65-H69 HydrophobicContact CB-CB 3.89Å; T66-H69 PolarHBondContact N-ND1 3.24Å; T66-H69 VanDerWaalsContact N-ND1 3.12Å; T66-H69 WeakPolarHBondContact O-CB 3.45Å; T66-H69 PolarHBondContact O-N 3.23Å; T66-H69 PolarHBondContact OG1-CE1 3.11Å; T66-H69 PolarHBondContact OG1-ND1 3.36Å; P67-H69 VanDerWaalsContact C-N 3.28Å; P67-H69 PolarHBondContact O-N 3.4Å; H69-C71 VanDerWaalsContact C-N 3.27Å; H69-I72 WeakPolarHBondContact O-CG2 3.38Å; H69-T93 PolarHBondContact CE1-O 3.38Å; H69-T93 PolarHBondContact NE2-O 3.25Å; H69-D101 PolarHBondContact NE2-O 3.24Å; H69-P103 WeakPolarHBondContact NE2-CD 3.44Å; H69-T106 PolarHBondContact CD2-OG1 3.02Å; H69-T106 VanDerWaalsContact O-CG2 3.32Å; H69-T106 WeakPolarHBondContact O-CG2 3.11Å
70Y97.8Very high97.2Very high22 Ų2237.8 Ų37.89%0.08619%0.191CC..G310 helixtrans-84.1-4.1176.8-73.1-82.4000113K32 H36 C39 E40 S61 S63 H65 T66 P67 L68 I72K32-Y70 HydrophobicContact CD-CE1 4.43Å; K32-Y70 VanDerWaalsContact CE-CZ 3.42Å; K32-Y70 VanDerWaalsContact CE-OH 3.25Å; K32-Y70 WeakPolarHBondContact CE-OH 3.34Å; H36-Y70 HydrophobicContact CB-CD2 4.13Å; H36-Y70 HydrophobicContact CB-CE2 4.26Å; H36-Y70 AromaticContact CD2-CD2 3.58Å; H36-Y70 AromaticContact CD2-CE2 3.48Å; H36-Y70 VanDerWaalsContact CD2-CE2 3.48Å; H36-Y70 WeakPolarHBondContact CD2-CE2 3.11Å; C39-Y70 CarbonylContact C-O 3.51Å; E40-Y70 WeakPolarHBondContact CA-O 3.48Å; E40-Y70 HydrophobicContact CB-CD1 4.12Å; E40-Y70 HydrophobicContact CB-CG 4.46Å; E40-Y70 HydrophobicContact CG-CD1 4.32Å; S61-Y70 PolarHBondContact OG-OH 3.02Å; S63-Y70 PolarHBondContact OG-OH 2.82Å; H65-Y70 HydrophobicContact CB-CD2 4.15Å; H65-Y70 HydrophobicContact CB-CE2 3.43Å; H65-Y70 VanDerWaalsContact CB-CE2 3.43Å; T66-Y70 WeakPolarHBondContact O-CD2 3.37Å; P67-Y70 PolarHBondContact O-N 3.47Å; L68-Y70 VanDerWaalsContact C-N 3.26Å; L68-Y70 PolarHBondContact O-N 3.4Å; Y70-I72 PolarHBondContact O-N 2.74Å; Y70-I72 VanDerWaalsContact O-N 3.1Å
71C97.4Very high97.2Very high1 Ų139.7 Ų39.71%0.00719%0.194CC..  trans-77.189.6167.3-63.50000108.9L68 H69 S76 A80 L115L68-C71 WeakPolarHBondContact O-CB 3.42Å; L68-C71 PolarHBondContact O-N 2.98Å; H69-C71 VanDerWaalsContact C-N 3.27Å; C71-S76 WeakPolarHBondContact CA-OG 3.39Å; C71-S76 WeakPolarHBondContact CB-OG 3.2Å; C71-A80 HydrophobicContact CB-CB 4.13Å; C71-L115 HydrophobicContact CB-CD1 4.47Å; C71-L115 HydrophobicContact CB-CD2 4.08Å; C71-L115 WeakPolarHBondContact O-CD2 3.44Å
72I95.8Very high97.1Very high63 Ų6340.2 Ų40.232%0.32320%0.196SC..  trans-114.71.9-173.364.6170.2000113.9H69 Y70 S76 T106 F110 V112H69-I72 WeakPolarHBondContact O-CG2 3.38Å; Y70-I72 PolarHBondContact O-N 2.74Å; Y70-I72 VanDerWaalsContact O-N 3.1Å; I72-S76 PolarHBondContact N-OG 3.39Å; I72-T106 HydrophobicContact CG2-CG2 3.91Å; I72-F110 HydrophobicContact CB-CB 4.49Å; I72-F110 HydrophobicContact CB-CD1 4.27Å; I72-F110 HydrophobicContact CB-CD2 3.66Å; I72-F110 HydrophobicContact CB-CE1 4.45Å; I72-F110 HydrophobicContact CB-CE2 3.89Å; I72-F110 HydrophobicContact CB-CG 3.89Å; I72-F110 HydrophobicContact CB-CZ 4.28Å; I72-F110 HydrophobicContact CD1-CE1 4.17Å; I72-F110 HydrophobicContact CD1-CZ 4.15Å; I72-F110 HydrophobicContact CG2-CD2 3.59Å; I72-F110 HydrophobicContact CG2-CE2 3.47Å; I72-F110 VanDerWaalsContact CG2-CE2 3.47Å; I72-F110 HydrophobicContact CG2-CG 4.33Å; I72-F110 HydrophobicContact CG2-CZ 4.11Å; I72-F110 WeakPolarHBondContact O-CB 3.35Å; I72-V112 WeakPolarHBondContact O-CG2 3.31Å
73A96Very high97.1Very high29 Ų2933.2 Ų33.224%0.2416%0.159CC..SBendtrans-133.7160.7-175.800000111.5E75 S76A73-E75 VanDerWaalsContact CB-OE2 3.3Å; A73-E75 WeakPolarHBondContact CB-OE2 3.32Å; A73-E75 PolarHBondContact O-N 3.11Å; A73-S76 PolarHBondContact N-OG 3.2Å; A73-S76 WeakPolarHBondContact O-CB 3.49Å; A73-S76 PolarHBondContact O-N 3.06Å; A73-S76 PolarHBondContact O-OG 3.38Å
74R96.2Very high97.1Very high133 Ų13331.4 Ų31.450%0.50215%0.145SC..G310 helixtrans-57.1-37178.8-179.9-177.6-80.6-85.3-5.1111.7S76 V77 E114R74-S76 PolarHBondContact O-N 3.33Å; R74-V77 WeakPolarHBondContact O-CB 3.41Å; R74-V77 WeakPolarHBondContact O-CG2 3.48Å; R74-V77 PolarHBondContact O-N 3.3Å; R74-E114 IonicContact CZ-OE1 2.7Å; R74-E114 IonicContact CZ-OE2 2.67Å; R74-E114 VanDerWaalsContact CZ-OE2 3.26Å; R74-E114 IonicContact NE-OE2 3.8Å; R74-E114 IonicContact NH1-OE1 3.75Å; R74-E114 PolarHBondContact NH1-OE1 3.42Å; R74-E114 IonicContact NH1-OE2 3.43Å; R74-E114 PolarHBondContact NH1-OE2 3.14Å; R74-E114 IonicContact NH2-OE1 3.84Å; R74-E114 PolarHBondContact NH2-OE1 2.78Å; R74-E114 IonicContact NH2-OE2 3.63Å; R74-E114 PolarHBondContact NH2-OE2 2.75Å; R74-E114 VanDerWaalsContact NH2-OE2 3.11Å
75E96.8Very high96.7Very high132 Ų13236 Ų3662%0.61717%0.168SC*.G310 helixtrans-64.9-28178.1-6077.1-17000111.9A73 V77A73-E75 VanDerWaalsContact CB-OE2 3.3Å; A73-E75 WeakPolarHBondContact CB-OE2 3.32Å; A73-E75 PolarHBondContact O-N 3.11Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.08Å
76S97.1Very high95.7Very high0 Ų040.1 Ų40.10%019%0.185CC..G310 helixtrans-81.3-5.7179.775.90000113.9S42 C71 I72 A73 R74 E78 C79 A80S42-S76 WeakPolarHBondContact OG-CB 3.37Å; S42-S76 PolarHBondContact OG-N 2.83Å; C71-S76 WeakPolarHBondContact CA-OG 3.39Å; C71-S76 WeakPolarHBondContact CB-OG 3.2Å; I72-S76 PolarHBondContact N-OG 3.39Å; A73-S76 PolarHBondContact N-OG 3.2Å; A73-S76 WeakPolarHBondContact O-CB 3.49Å; A73-S76 PolarHBondContact O-N 3.06Å; A73-S76 PolarHBondContact O-OG 3.38Å; R74-S76 PolarHBondContact O-N 3.33Å; S76-E78 PolarHBondContact O-N 3.28Å; S76-C79 WeakPolarHBondContact O-CA 3.41Å; S76-C79 VanDerWaalsContact O-CB 3.23Å; S76-C79 WeakPolarHBondContact O-CB 3.17Å; S76-C79 PolarHBondContact O-N 3.27Å; S76-A80 PolarHBondContact O-N 3.4Å
77V97.7Very high94.6Very high15 Ų1545.1 Ų45.19%0.09121%0.209CC..Hα-helixtrans-59.7-37.3-179.2173.20000111.4R74 E75 C79 A80 R81 V112 E114 L115 L118R74-V77 WeakPolarHBondContact O-CB 3.41Å; R74-V77 WeakPolarHBondContact O-CG2 3.48Å; R74-V77 PolarHBondContact O-N 3.3Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.08Å; V77-C79 VanDerWaalsContact C-N 3.35Å; V77-A80 PolarHBondContact O-N 3.45Å; V77-R81 WeakPolarHBondContact O-CB 3.23Å; V77-R81 PolarHBondContact O-N 3.18Å; V77-V112 HydrophobicContact CG2-CG1 4.19Å; V77-E114 HydrophobicContact CG1-CB 4.23Å; V77-E114 HydrophobicContact CG2-CB 3.87Å; V77-L115 HydrophobicContact CG2-CB 4.17Å; V77-L118 HydrophobicContact CG1-CD2 4.45Å
78E97.4Very high93.9Very high79 Ų7947.4 Ų47.437%0.36923%0.233SC..Hα-helixtrans-70.3-33.4176.6-174.252.2-149.400112S76 R81 Q82S76-E78 PolarHBondContact O-N 3.28Å; E78-R81 PolarHBondContact O-N 3.19Å; E78-R81 WeakPolarHBondContact OE2-CD 3.49Å; E78-R81 IonicContact OE2-NE 3.66Å; E78-R81 PolarHBondContact OE2-NE 3.23Å; E78-Q82 WeakPolarHBondContact O-CG 3.47Å; E78-Q82 PolarHBondContact O-N 2.92Å; E78-Q82 VanDerWaalsContact O-N 3.08Å
79C97.5Very high93.5Very high0 Ų047.6 Ų47.60%024%0.235CC..Hα-helixtrans-60.6-51.1170.5-62.10000110.3N43 S44 V47 S76 V77 R81 Q82 L83N43-C79 VanDerWaalsContact C-SG 3.59Å; S44-C79 PolarHBondContact N-SG 3.23Å; S44-C79 VanDerWaalsContact N-SG 3.45Å; V47-C79 HydrophobicContact CG2-CB 3.94Å; S76-C79 WeakPolarHBondContact O-CA 3.41Å; S76-C79 VanDerWaalsContact O-CB 3.23Å; S76-C79 WeakPolarHBondContact O-CB 3.17Å; S76-C79 PolarHBondContact O-N 3.27Å; V77-C79 VanDerWaalsContact C-N 3.35Å; C79-R81 VanDerWaalsContact C-N 3.3Å; C79-R81 PolarHBondContact O-N 3.25Å; C79-Q82 PolarHBondContact O-N 2.83Å; C79-Q82 VanDerWaalsContact O-N 3.15Å; C79-L83 WeakPolarHBondContact O-CG 3.25Å; C79-L83 PolarHBondContact O-N 3.24Å
80A97.6Very high93.3Very high0 Ų053.9 Ų53.90%026%0.262CS..Hα-helixtrans-56.8-43177.700000112.1L68 C71 S76 V77 Q82 L83 I84 L115 L118L68-A80 HydrophobicContact CD1-CB 3.64Å; C71-A80 HydrophobicContact CB-CB 4.13Å; S76-A80 PolarHBondContact O-N 3.4Å; V77-A80 PolarHBondContact O-N 3.45Å; A80-Q82 VanDerWaalsContact C-N 3.35Å; A80-Q82 PolarHBondContact O-N 2.88Å; A80-L83 PolarHBondContact O-N 2.89Å; A80-I84 VanDerWaalsContact O-CG1 3.26Å; A80-I84 WeakPolarHBondContact O-CG1 3.32Å; A80-I84 PolarHBondContact O-N 3.43Å; A80-L115 HydrophobicContact CB-CD1 3.4Å; A80-L115 VanDerWaalsContact CB-CD1 3.4Å; A80-L118 HydrophobicContact CB-CD2 3.81Å
81R97Very high93.3Very high96 Ų9653.5 Ų53.536%0.36226%0.262SS..Hα-helixtrans-57.9-46.6176.5-175.5-172-53-71.5-3.8111.6V77 E78 C79 I84 L85 L118V77-R81 WeakPolarHBondContact O-CB 3.23Å; V77-R81 PolarHBondContact O-N 3.18Å; E78-R81 PolarHBondContact O-N 3.19Å; E78-R81 WeakPolarHBondContact OE2-CD 3.49Å; E78-R81 IonicContact OE2-NE 3.66Å; E78-R81 PolarHBondContact OE2-NE 3.23Å; C79-R81 VanDerWaalsContact C-N 3.3Å; C79-R81 PolarHBondContact O-N 3.25Å; R81-I84 PolarHBondContact O-N 2.98Å; R81-L85 HydrophobicContact CG-CD1 3.58Å; R81-L85 HydrophobicContact CG-CG 4.22Å; R81-L85 WeakPolarHBondContact O-CB 3.41Å; R81-L85 WeakPolarHBondContact O-CG 3.49Å; R81-L85 PolarHBondContact O-N 3.34Å; R81-L118 HydrophobicContact CB-CD2 4.11Å
82Q96.3Very high93.3Very high18 Ų1856.9 Ų56.98%0.08428%0.28CS..Hα-helixtrans-64.9-41.9179-68.8-176.624.100112.2S44 V47 A48 L51 E78 C79 A80 I84 K86S44-Q82 PolarHBondContact O-NE2 2.95Å; S44-Q82 PolarHBondContact O-OE1 2.92Å; V47-Q82 HydrophobicContact CG1-CB 4Å; A48-Q82 VanDerWaalsContact N-OE1 3.13Å; L51-Q82 HydrophobicContact CD1-CB 4.29Å; E78-Q82 WeakPolarHBondContact O-CG 3.47Å; E78-Q82 PolarHBondContact O-N 2.92Å; E78-Q82 VanDerWaalsContact O-N 3.08Å; C79-Q82 PolarHBondContact O-N 2.83Å; C79-Q82 VanDerWaalsContact O-N 3.15Å; A80-Q82 VanDerWaalsContact C-N 3.35Å; A80-Q82 PolarHBondContact O-N 2.88Å; Q82-I84 VanDerWaalsContact C-N 3.34Å; Q82-I84 PolarHBondContact O-N 3.15Å; Q82-K86 WeakPolarHBondContact O-CB 3.4Å; Q82-K86 PolarHBondContact O-N 2.91Å; Q82-K86 VanDerWaalsContact O-N 3.09Å
83L96.4Very high93.3Very high0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-60-44176.5-64177.1000111.7L35 V47 L51 V57 P67 L68 C79 A80 A89L35-L83 HydrophobicContact CD1-CD2 3.97Å; L35-L83 HydrophobicContact CD2-CD2 3.92Å; L35-L83 HydrophobicContact CG-CD2 4.13Å; V47-L83 HydrophobicContact CG1-CD2 4.15Å; L51-L83 HydrophobicContact CD1-CD2 4.45Å; L51-L83 HydrophobicContact CD2-CD2 4.22Å; V57-L83 HydrophobicContact CG1-CB 4.18Å; V57-L83 HydrophobicContact CG1-CD2 4.04Å; P67-L83 HydrophobicContact CB-CD1 4.02Å; L68-L83 HydrophobicContact CB-CD1 4.27Å; L68-L83 HydrophobicContact CD1-CD1 4.14Å; C79-L83 WeakPolarHBondContact O-CG 3.25Å; C79-L83 PolarHBondContact O-N 3.24Å; A80-L83 PolarHBondContact O-N 2.89Å; L83-A89 HydrophobicContact CB-CB 3.9Å; L83-A89 VanDerWaalsContact O-CB 3.24Å; L83-A89 WeakPolarHBondContact O-CB 3.26Å; L83-A89 PolarHBondContact O-N 3.41Å
84I95.3Very high93.4Very high15 Ų1555.6 Ų55.68%0.07728%0.276CS..Hα-helixtrans-72.8-50.7-176.9-65.1166.3000111.2L68 A80 R81 Q82 G88 A89 V91 L118 L119 H122L68-I84 HydrophobicContact CD1-CD1 4.25Å; L68-I84 HydrophobicContact CD1-CG1 4.31Å; L68-I84 HydrophobicContact CD2-CD1 4.48Å; L68-I84 HydrophobicContact CD2-CG1 4.32Å; A80-I84 VanDerWaalsContact O-CG1 3.26Å; A80-I84 WeakPolarHBondContact O-CG1 3.32Å; A80-I84 PolarHBondContact O-N 3.43Å; R81-I84 PolarHBondContact O-N 2.98Å; Q82-I84 VanDerWaalsContact C-N 3.34Å; Q82-I84 PolarHBondContact O-N 3.15Å; I84-G88 PolarHBondContact O-N 3.08Å; I84-A89 HydrophobicContact CG1-CB 4.28Å; I84-V91 HydrophobicContact CD1-CG1 4.08Å; I84-V91 HydrophobicContact CG1-CG1 3.98Å; I84-V91 HydrophobicContact CG2-CG1 4.35Å; I84-L118 HydrophobicContact CD1-CD2 4.01Å; I84-L118 HydrophobicContact CD1-CG 4.03Å; I84-L119 HydrophobicContact CD1-CD2 4.03Å; I84-H122 HydrophobicContact CG2-CB 3.79Å
85L88.8Confident93.4Very high101 Ų10149.3 Ų49.353%0.52925%0.253SS..Hα-helixtrans-78.9-37.7-170.3-67.6-178.5000114.1R81 H122R81-L85 HydrophobicContact CG-CD1 3.58Å; R81-L85 HydrophobicContact CG-CG 4.22Å; R81-L85 WeakPolarHBondContact O-CB 3.41Å; R81-L85 WeakPolarHBondContact O-CG 3.49Å; R81-L85 PolarHBondContact O-N 3.34Å; L85-H122 WeakPolarHBondContact CD2-CE1 3.33Å
86K78.3Confident93.4Very high126 Ų12649.5 Ų49.555%0.54825%0.253SS..Hα-helixtrans-88.2-33.9-170.7-64.2-175.4175.9177.70113Q82Q82-K86 WeakPolarHBondContact O-CB 3.4Å; Q82-K86 PolarHBondContact O-N 2.91Å; Q82-K86 VanDerWaalsContact O-N 3.09Å
87E74.2Confident93.4Very high106 Ų10651.2 Ų51.250%0.49526%0.262SS..Hα-helixtrans-135.612.1-165.7-66.6-65.4153.500113.4L51 V57L51-E87 HydrophobicContact CB-CG 4.29Å; L51-E87 HydrophobicContact CD1-CG 4.17Å; L51-E87 HydrophobicContact CD2-CG 4.1Å; L51-E87 HydrophobicContact CG-CG 4.4Å; V57-E87 HydrophobicContact CB-CB 4.33Å; V57-E87 HydrophobicContact CG2-CB 3.39Å; V57-E87 HydrophobicContact CG2-CG 4.04Å
88G82.1Confident93.3Very high49 Ų4958 Ų5851%0.50530%0.298SS..  trans64.545.5171.300000114I84 K90I84-G88 PolarHBondContact O-N 3.08Å; G88-K90 PolarHBondContact O-N 3.2Å
89A89.9Confident93.2Very high9 Ų957.9 Ų57.97%0.07430%0.298CS..  trans-51.3130.1169.800000110.6V57 L68 L83 I84 V91V57-A89 HydrophobicContact CG1-CB 3.52Å; L68-A89 HydrophobicContact CD2-CB 4.35Å; L83-A89 HydrophobicContact CB-CB 3.9Å; L83-A89 VanDerWaalsContact O-CB 3.24Å; L83-A89 WeakPolarHBondContact O-CB 3.26Å; L83-A89 PolarHBondContact O-N 3.41Å; I84-A89 HydrophobicContact CG1-CB 4.28Å; A89-V91 PolarHBondContact O-N 3.35Å; A89-V91 VanDerWaalsContact O-N 3.07Å
90K94.3Very high93.2Very high138 Ų13862.9 Ų62.960%0.632%0.321SS*.  trans-78.296.7-179.9-70.6179.6-178.8-176.30109.5N58 G88 N92 T93N58-K90 PolarHBondContact OD1-N 2.97Å; G88-K90 PolarHBondContact O-N 3.2Å; K90-N92 PolarHBondContact O-N 3.36Å; K90-N92 VanDerWaalsContact O-N 3.12Å; K90-T93 WeakPolarHBondContact CB-OG1 3.48Å; K90-T93 PolarHBondContact O-N 3.46Å; K90-T93 VanDerWaalsContact O-N 3.12Å; K90-T93 PolarHBondContact O-OG1 2.9Å
91V96.4Very high93.2Very high14 Ų1463 Ų639%0.08532%0.321CS..THydrogen-bonded Turntrans-59.7-21.7-174.8-62.70000115.2L68 I84 A89 P103 L119 H122L68-V91 HydrophobicContact CD2-CG1 4.38Å; I84-V91 HydrophobicContact CD1-CG1 4.08Å; I84-V91 HydrophobicContact CG1-CG1 3.98Å; I84-V91 HydrophobicContact CG2-CG1 4.35Å; A89-V91 PolarHBondContact O-N 3.35Å; A89-V91 VanDerWaalsContact O-N 3.07Å; V91-P103 WeakPolarHBondContact O-CD 3.37Å; V91-P103 WeakPolarHBondContact O-CG 3.37Å; V91-L119 HydrophobicContact CB-CD2 4.36Å; V91-L119 HydrophobicContact CG1-CD2 4.27Å; V91-H122 HydrophobicContact CG1-CB 4.38Å
92N97.2Very high93.3Very high71 Ų7158.7 Ų58.738%0.3831%0.306SS..THydrogen-bonded Turntrans-105.313-179.2-67.5-48.3000113.6K90 A94 G123 A124 S125K90-N92 PolarHBondContact O-N 3.36Å; K90-N92 VanDerWaalsContact O-N 3.12Å; N92-A94 PolarHBondContact O-N 3.01Å; N92-A94 VanDerWaalsContact O-N 3.1Å; N92-G123 PolarHBondContact ND2-O 3.31Å; N92-A124 VanDerWaalsContact OD1-CA 3.29Å; N92-A124 WeakPolarHBondContact OD1-CA 3.43Å; N92-S125 PolarHBondContact OD1-N 3.06Å
93T96.8Very high93.4Very high30 Ų3057.9 Ų57.918%0.18430%0.302CS..  trans-70.3110.1179.2-53.20000109.3T66 H69 K90 P103T66-T93 HydrophobicContact CG2-CG2 3.79Å; H69-T93 PolarHBondContact CE1-O 3.38Å; H69-T93 PolarHBondContact NE2-O 3.25Å; K90-T93 WeakPolarHBondContact CB-OG1 3.48Å; K90-T93 PolarHBondContact O-N 3.46Å; K90-T93 VanDerWaalsContact O-N 3.12Å; K90-T93 PolarHBondContact O-OG1 2.9Å; T93-P103 WeakPolarHBondContact O-CD 3.42Å
94A97.5Very high93.5Very high35 Ų3557.9 Ų57.929%0.28930%0.302SS..  trans-60.5144.1168.800000110.3N92 H96 E100N92-A94 PolarHBondContact O-N 3.01Å; N92-A94 VanDerWaalsContact O-N 3.1Å; A94-H96 PolarHBondContact O-CD2 2.97Å; A94-E100 HydrophobicContact CB-CB 4.47Å; A94-E100 WeakPolarHBondContact CB-O 3.47Å
95S97.6Very high93.7Very high2 Ų257.1 Ų57.11%0.01430%0.298CS..  trans-63.5146.1170.162.80000110.7G64 H65 N97 E100 D101G64-S95 CarbonylContact O-C 3.45Å; G64-S95 WeakPolarHBondContact O-CA 3.33Å; G64-S95 WeakPolarHBondContact O-CB 3.48Å; H65-S95 VanDerWaalsContact CD2-CB 3.48Å; H65-S95 WeakPolarHBondContact CD2-CB 3.29Å; S95-N97 VanDerWaalsContact C-N 3.27Å; S95-N97 PolarHBondContact O-N 3.08Å; S95-N97 PolarHBondContact OG-ND2 3.45Å; S95-N97 PolarHBondContact OG-OD1 3.15Å; S95-N97 VanDerWaalsContact OG-OD1 3.12Å; S95-E100 WeakPolarHBondContact O-CA 3.4Å; S95-D101 WeakPolarHBondContact CB-O 3.34Å; S95-D101 PolarHBondContact N-O 2.95Å; S95-D101 PolarHBondContact OG-N 3.43Å; S95-D101 VanDerWaalsContact OG-N 3.08Å; S95-D101 PolarHBondContact OG-O 3Å
96H97Very high94.1Very high135 Ų13552.9 Ų52.963%0.62528%0.276SS*.SBendtrans-94.157.5177.2-74.3-153.4000110.1L60 G64 A94L60-H96 HydrophobicContact CD1-CB 4.05Å; L60-H96 VanDerWaalsContact CD1-ND1 3.3Å; L60-H96 WeakPolarHBondContact CD1-ND1 3.41Å; G64-H96 WeakPolarHBondContact CA-O 3.48Å; G64-H96 PolarHBondContact O-N 2.9Å; A94-H96 PolarHBondContact O-CD2 2.97Å
97N96Very high95.1Very high37 Ų3746.9 Ų46.920%0.19825%0.25CS..SBendtrans-136.6-174.217464.636.4000109.4S63 H65 S95 E99 E100S63-N97 WeakPolarHBondContact O-CB 3.28Å; S63-N97 PolarHBondContact O-ND2 3.31Å; H65-N97 PolarHBondContact CE1-ND2 3.45Å; H65-N97 PolarHBondContact NE2-ND2 3.35Å; S95-N97 VanDerWaalsContact C-N 3.27Å; S95-N97 PolarHBondContact O-N 3.08Å; S95-N97 PolarHBondContact OG-ND2 3.45Å; S95-N97 PolarHBondContact OG-OD1 3.15Å; S95-N97 VanDerWaalsContact OG-OD1 3.12Å; N97-E99 PolarHBondContact O-N 3.02Å; N97-E99 WeakPolarHBondContact OD1-CA 3.24Å; N97-E99 WeakPolarHBondContact OD1-CB 3.15Å; N97-E99 PolarHBondContact OD1-N 3.36Å; N97-E100 WeakPolarHBondContact O-CG 3.46Å; N97-E100 PolarHBondContact O-N 3.26Å; N97-E100 PolarHBondContact OD1-N 3.39Å
98N95.9Very high96.3Very high157 Ų15741.8 Ų41.884%0.8423%0.227SC*.SBendtrans-69.4-14.9-175.7-64-6000114.2A131N98-A131 WeakPolarHBondContact O-CB 3.4Å
99E95.2Very high97Very high77 Ų7742.2 Ų42.236%0.3621%0.213SC..SBendtrans-87.5-32.5179.2-58-177.3-170.100110.7N97 D101 R109 N130 A131N97-E99 PolarHBondContact O-N 3.02Å; N97-E99 WeakPolarHBondContact OD1-CA 3.24Å; N97-E99 WeakPolarHBondContact OD1-CB 3.15Å; N97-E99 PolarHBondContact OD1-N 3.36Å; E99-D101 PolarHBondContact O-N 2.88Å; E99-D101 VanDerWaalsContact O-N 3.14Å; E99-R109 IonicContact OE1-NH1 2.91Å; E99-R109 IonicContact OE2-CZ 3.11Å; E99-R109 IonicContact OE2-NH1 3.42Å; E99-R109 PolarHBondContact OE2-NH1 2.95Å; E99-R109 IonicContact OE2-NH2 3.91Å; E99-R109 PolarHBondContact OE2-NH2 3.41Å; E99-N130 VanDerWaalsContact O-CB 3.3Å; E99-N130 WeakPolarHBondContact O-CB 3.15Å; E99-A131 WeakPolarHBondContact O-CB 3.41Å; E99-A131 PolarHBondContact O-N 3.32Å
100E97.8Very high97.4Very high104 Ų10446.4 Ų46.449%0.48623%0.23SC..  trans53.426.5-174.5-59.2-174.8-176.500113.6A94 S95 N97 T102 A131A94-E100 HydrophobicContact CB-CB 4.47Å; A94-E100 WeakPolarHBondContact CB-O 3.47Å; S95-E100 WeakPolarHBondContact O-CA 3.4Å; N97-E100 WeakPolarHBondContact O-CG 3.46Å; N97-E100 PolarHBondContact O-N 3.26Å; N97-E100 PolarHBondContact OD1-N 3.39Å; E100-T102 PolarHBondContact O-N 2.7Å; E100-A131 HydrophobicContact CB-CB 4.01Å; E100-A131 HydrophobicContact CG-CB 3.99Å
101D98.3Very high97.6Very high2 Ų240 Ų401%0.01120%0.204CC..  trans-60.1137.5178.4-90.84.1000110.8H69 S95 E99 H105 R109 N130H69-D101 PolarHBondContact NE2-O 3.24Å; S95-D101 WeakPolarHBondContact CB-O 3.34Å; S95-D101 PolarHBondContact N-O 2.95Å; S95-D101 PolarHBondContact OG-N 3.43Å; S95-D101 VanDerWaalsContact OG-N 3.08Å; S95-D101 PolarHBondContact OG-O 3Å; E99-D101 PolarHBondContact O-N 2.88Å; E99-D101 VanDerWaalsContact O-N 3.14Å; D101-H105 HydrophobicContact CB-CB 3.8Å; D101-H105 IonicContact OD1-CD2 3.93Å; D101-H105 IonicContact OD1-CG 3.81Å; D101-R109 IonicContact OD1-NH2 3.26Å; D101-R109 IonicContact OD2-CZ 3.97Å; D101-R109 IonicContact OD2-NE 3.19Å; D101-R109 IonicContact OD2-NH2 3.1Å; D101-R109 PolarHBondContact OD2-NH2 3.31Å; D101-N130 WeakPolarHBondContact OD1-CB 3.4Å; D101-N130 PolarHBondContact OD1-ND2 2.93Å
102T98.4Very high97.7Very high6 Ų639.8 Ų39.84%0.03720%0.202CC..  trans-82.9165.4166.368.40000110.2E100 L104 H105 T106E100-T102 PolarHBondContact O-N 2.7Å; T102-L104 PolarHBondContact O-N 3Å; T102-L104 VanDerWaalsContact O-N 3.08Å; T102-L104 PolarHBondContact OG1-N 3.4Å; T102-H105 PolarHBondContact N-ND1 2.91Å; T102-H105 WeakPolarHBondContact O-CA 3.47Å; T102-H105 WeakPolarHBondContact O-CB 3.48Å; T102-H105 PolarHBondContact O-N 3.26Å; T102-H105 PolarHBondContact OG1-N 3.1Å; T102-H105 PolarHBondContact OG1-ND1 3Å; T102-T106 PolarHBondContact O-N 3.17Å; T102-T106 VanDerWaalsContact O-N 3.1Å; T102-T106 PolarHBondContact O-OG1 3Å
103P98.3Very high97.7Very high1 Ų136.6 Ų36.61%0.00619%0.185CC..Hα-helixtrans-53.6-33.9173.3-29.235.6000113.6L68 H69 V91 T93 T106 A107 L119L68-P103 HydrophobicContact CB-CG 4.32Å; L68-P103 HydrophobicContact CD2-CB 3.92Å; L68-P103 HydrophobicContact CD2-CG 3.85Å; L68-P103 HydrophobicContact CG-CB 3.91Å; L68-P103 HydrophobicContact CG-CG 4.09Å; H69-P103 WeakPolarHBondContact NE2-CD 3.44Å; V91-P103 WeakPolarHBondContact O-CD 3.37Å; V91-P103 WeakPolarHBondContact O-CG 3.37Å; T93-P103 WeakPolarHBondContact O-CD 3.42Å; P103-T106 PolarHBondContact O-N 3.34Å; P103-A107 WeakPolarHBondContact O-CB 3.34Å; P103-A107 PolarHBondContact O-N 3.29Å; P103-L119 HydrophobicContact CB-CD1 4.11Å; P103-L119 HydrophobicContact CB-CD2 4.12Å
104L98.7Very high97.8Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-64.9-38.5174.5-170.161.1000113.1T102 T106 A108 V116 L119 L120 A124 P136 L163T102-L104 PolarHBondContact O-N 3Å; T102-L104 VanDerWaalsContact O-N 3.08Å; T102-L104 PolarHBondContact OG1-N 3.4Å; L104-T106 VanDerWaalsContact C-N 3.35Å; L104-A108 VanDerWaalsContact O-CB 3.23Å; L104-A108 WeakPolarHBondContact O-CB 3.23Å; L104-A108 PolarHBondContact O-N 3.39Å; L104-V116 HydrophobicContact CD1-CB 4.4Å; L104-V116 HydrophobicContact CD1-CG1 3.85Å; L104-V116 HydrophobicContact CD1-CG2 4.43Å; L104-L119 HydrophobicContact CB-CD1 4.43Å; L104-L119 HydrophobicContact CD1-CB 4.13Å; L104-L119 HydrophobicContact CD1-CD1 4.3Å; L104-L120 HydrophobicContact CD1-CD2 4.33Å; L104-L120 HydrophobicContact CD1-CG 4.26Å; L104-L120 HydrophobicContact CD2-CD2 3.9Å; L104-A124 HydrophobicContact CB-CB 4.31Å; L104-A124 HydrophobicContact CD2-CB 4.01Å; L104-P136 HydrophobicContact CB-CG 4.23Å; L104-P136 HydrophobicContact CD2-CB 4.18Å; L104-P136 HydrophobicContact CD2-CG 3.78Å; L104-P136 HydrophobicContact CG-CB 3.86Å; L104-P136 HydrophobicContact CG-CG 3.78Å; L104-L163 HydrophobicContact CD1-CD2 4.32Å; L104-L163 HydrophobicContact CD2-CD2 4.3Å; L104-L163 HydrophobicContact CG-CD2 4.49Å
105H98.8Very high97.8Very high0 Ų036.4 Ų36.40%018%0.176CC..Hα-helixtrans-63.5-43172.2-70.887.6000110.9D101 T102 A108 R109 S128 E134 P136D101-H105 HydrophobicContact CB-CB 3.8Å; D101-H105 IonicContact OD1-CD2 3.93Å; D101-H105 IonicContact OD1-CG 3.81Å; T102-H105 PolarHBondContact N-ND1 2.91Å; T102-H105 WeakPolarHBondContact O-CA 3.47Å; T102-H105 WeakPolarHBondContact O-CB 3.48Å; T102-H105 PolarHBondContact O-N 3.26Å; T102-H105 PolarHBondContact OG1-N 3.1Å; T102-H105 PolarHBondContact OG1-ND1 3Å; H105-A108 PolarHBondContact O-N 3.25Å; H105-R109 WeakPolarHBondContact O-CB 3.23Å; H105-R109 PolarHBondContact O-N 2.96Å; H105-S128 PolarHBondContact CE1-O 2.92Å; H105-S128 VanDerWaalsContact CE1-O 3.25Å; H105-S128 PolarHBondContact NE2-O 3.38Å; H105-E134 PolarHBondContact NE2-O 3.22Å; H105-P136 WeakPolarHBondContact NE2-CD 2.82Å
106T98.3Very high97.9Very high11 Ų1136.3 Ų36.37%0.06718%0.176CC..Hα-helixtrans-62.5-48.4177.7-49.10000111.6H69 I72 T102 P103 L104 A108 R109 F110H69-T106 PolarHBondContact CD2-OG1 3.02Å; H69-T106 VanDerWaalsContact O-CG2 3.32Å; H69-T106 WeakPolarHBondContact O-CG2 3.11Å; I72-T106 HydrophobicContact CG2-CG2 3.91Å; T102-T106 PolarHBondContact O-N 3.17Å; T102-T106 VanDerWaalsContact O-N 3.1Å; T102-T106 PolarHBondContact O-OG1 3Å; P103-T106 PolarHBondContact O-N 3.34Å; L104-T106 VanDerWaalsContact C-N 3.35Å; T106-A108 VanDerWaalsContact C-N 3.26Å; T106-A108 PolarHBondContact O-N 3.2Å; T106-R109 WeakPolarHBondContact O-CB 3.44Å; T106-R109 PolarHBondContact O-N 3.29Å; T106-F110 HydrophobicContact CG2-CD2 3.76Å; T106-F110 HydrophobicContact CG2-CE2 3.74Å; T106-F110 VanDerWaalsContact O-CD2 3.24Å; T106-F110 WeakPolarHBondContact O-CD2 3.32Å; T106-F110 PolarHBondContact O-N 3.46Å; T106-F110 VanDerWaalsContact O-N 3.1Å
107A98.4Very high98Very high0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-60.7-35.9176.500000112.6P103 G111 V112 L115 V116 L119P103-A107 WeakPolarHBondContact O-CB 3.34Å; P103-A107 PolarHBondContact O-N 3.29Å; A107-G111 PolarHBondContact O-N 3.26Å; A107-V112 PolarHBondContact O-N 3.3Å; A107-L115 HydrophobicContact CB-CB 4.16Å; A107-L115 HydrophobicContact CB-CD2 3.65Å; A107-L115 HydrophobicContact CB-CG 3.74Å; A107-V116 HydrophobicContact CB-CG2 3.63Å; A107-L119 HydrophobicContact CB-CD1 3.86Å
108A98.7Very high98.1Very high0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-69.1-41.4175.200000113.1L104 H105 T106 F110 G111 P136 A140 H156 V159L104-A108 VanDerWaalsContact O-CB 3.23Å; L104-A108 WeakPolarHBondContact O-CB 3.23Å; L104-A108 PolarHBondContact O-N 3.39Å; H105-A108 PolarHBondContact O-N 3.25Å; T106-A108 VanDerWaalsContact C-N 3.26Å; T106-A108 PolarHBondContact O-N 3.2Å; A108-F110 VanDerWaalsContact C-N 3.35Å; A108-F110 PolarHBondContact O-N 3.36Å; A108-G111 PolarHBondContact O-N 2.81Å; A108-P136 HydrophobicContact CB-CB 4.12Å; A108-P136 VanDerWaalsContact CB-O 3.3Å; A108-P136 WeakPolarHBondContact CB-O 3.34Å; A108-A140 HydrophobicContact CB-CB 4.03Å; A108-H156 PolarHBondContact O-CD2 3.05Å; A108-V159 HydrophobicContact CB-CG1 4.25Å
109R98.2Very high98.2Very high57 Ų5722.8 Ų22.822%0.21511%0.112CC..Hα-helixtrans-61.7-39.9177179.3178.4-60.4-159.58112.9E99 D101 H105 T106 G111 T139 W143 H156E99-R109 IonicContact OE1-NH1 2.91Å; E99-R109 IonicContact OE2-CZ 3.11Å; E99-R109 IonicContact OE2-NH1 3.42Å; E99-R109 PolarHBondContact OE2-NH1 2.95Å; E99-R109 IonicContact OE2-NH2 3.91Å; E99-R109 PolarHBondContact OE2-NH2 3.41Å; D101-R109 IonicContact OD1-NH2 3.26Å; D101-R109 IonicContact OD2-CZ 3.97Å; D101-R109 IonicContact OD2-NE 3.19Å; D101-R109 IonicContact OD2-NH2 3.1Å; D101-R109 PolarHBondContact OD2-NH2 3.31Å; H105-R109 WeakPolarHBondContact O-CB 3.23Å; H105-R109 PolarHBondContact O-N 2.96Å; T106-R109 WeakPolarHBondContact O-CB 3.44Å; T106-R109 PolarHBondContact O-N 3.29Å; R109-G111 VanDerWaalsContact C-N 3.33Å; R109-T139 HydrophobicContact CB-CG2 3.67Å; R109-T139 HydrophobicContact CG-CG2 4.4Å; R109-W143 HydrophobicContact CG-CD2 4.27Å; R109-W143 HydrophobicContact CG-CG 4.22Å; R109-W143 HydrophobicContact CG-CZ2 4.5Å; R109-H156 PolarHBondContact O-NE2 2.78Å
110F97.7Very high98.3Very high97 Ų9719.8 Ų19.843%0.42510%0.098SC..THydrogen-bonded Turntrans-90.1-0.2-179.5-71.2-74.5000113I72 T106 A108 V112I72-F110 HydrophobicContact CB-CB 4.49Å; I72-F110 HydrophobicContact CB-CD1 4.27Å; I72-F110 HydrophobicContact CB-CD2 3.66Å; I72-F110 HydrophobicContact CB-CE1 4.45Å; I72-F110 HydrophobicContact CB-CE2 3.89Å; I72-F110 HydrophobicContact CB-CG 3.89Å; I72-F110 HydrophobicContact CB-CZ 4.28Å; I72-F110 HydrophobicContact CD1-CE1 4.17Å; I72-F110 HydrophobicContact CD1-CZ 4.15Å; I72-F110 HydrophobicContact CG2-CD2 3.59Å; I72-F110 HydrophobicContact CG2-CE2 3.47Å; I72-F110 VanDerWaalsContact CG2-CE2 3.47Å; I72-F110 HydrophobicContact CG2-CG 4.33Å; I72-F110 HydrophobicContact CG2-CZ 4.11Å; I72-F110 WeakPolarHBondContact O-CB 3.35Å; T106-F110 HydrophobicContact CG2-CD2 3.76Å; T106-F110 HydrophobicContact CG2-CE2 3.74Å; T106-F110 VanDerWaalsContact O-CD2 3.24Å; T106-F110 WeakPolarHBondContact O-CD2 3.32Å; T106-F110 PolarHBondContact O-N 3.46Å; T106-F110 VanDerWaalsContact O-N 3.1Å; A108-F110 VanDerWaalsContact C-N 3.35Å; A108-F110 PolarHBondContact O-N 3.36Å; F110-V112 HydrophobicContact CB-CG2 4.08Å
111G97.9Very high98.3Very high5 Ų519.3 Ų19.35%0.05210%0.103CC..THydrogen-bonded Turntrans57.153.9179.400000112.3A107 A108 R109 P113 D155 H156A107-G111 PolarHBondContact O-N 3.26Å; A108-G111 PolarHBondContact O-N 2.81Å; R109-G111 VanDerWaalsContact C-N 3.33Å; G111-P113 WeakPolarHBondContact O-CD 3.38Å; G111-D155 VanDerWaalsContact O-CB 3.24Å; G111-D155 WeakPolarHBondContact O-CB 3.43Å; G111-H156 PolarHBondContact N-NE2 3.1Å
112V98.4Very high98.2Very high9 Ų922.9 Ų22.96%0.05512%0.119CC..  trans-110.190.4178.9-172.60000109.9I72 V77 A107 F110 E114 L115 V116I72-V112 WeakPolarHBondContact O-CG2 3.31Å; V77-V112 HydrophobicContact CG2-CG1 4.19Å; A107-V112 PolarHBondContact O-N 3.3Å; F110-V112 HydrophobicContact CB-CG2 4.08Å; V112-E114 PolarHBondContact O-N 3.44Å; V112-L115 HydrophobicContact CB-CB 3.98Å; V112-L115 HydrophobicContact CG1-CB 3.63Å; V112-L115 PolarHBondContact O-N 3.17Å; V112-L115 VanDerWaalsContact O-N 3.13Å; V112-V116 WeakPolarHBondContact O-CG2 3.44Å; V112-V116 PolarHBondContact O-N 3.22Å
113P98.4Very high98.1Very high3 Ų325 Ų252%0.01914%0.142CC..Hα-helixtrans-63.4-37.3-169.8-19.430.1000114.1G111 L115 V116 A117 D155 F158 V159G111-P113 WeakPolarHBondContact O-CD 3.38Å; P113-L115 VanDerWaalsContact C-N 3.27Å; P113-L115 PolarHBondContact O-N 3.06Å; P113-V116 PolarHBondContact O-N 2.91Å; P113-A117 WeakPolarHBondContact O-CB 3.3Å; P113-A117 PolarHBondContact O-N 2.71Å; P113-D155 HydrophobicContact CG-CB 4.15Å; P113-F158 HydrophobicContact CB-CD1 3.25Å; P113-F158 HydrophobicContact CB-CE1 3.75Å; P113-F158 HydrophobicContact CB-CG 4.3Å; P113-F158 HydrophobicContact CG-CB 4.26Å; P113-F158 HydrophobicContact CG-CD1 3.62Å; P113-F158 HydrophobicContact CG-CG 4.43Å; P113-V159 HydrophobicContact CB-CG2 4.18Å; P113-V159 HydrophobicContact CG-CG2 4Å
114E98.5Very high98.1Very high60 Ų6025.4 Ų25.428%0.2815%0.146SC..Hα-helixtrans-65.1-34.4178.6-67.273.6-165.900111.8R74 V77 V112 L118R74-E114 IonicContact CZ-OE1 2.7Å; R74-E114 IonicContact CZ-OE2 2.67Å; R74-E114 VanDerWaalsContact CZ-OE2 3.26Å; R74-E114 IonicContact NE-OE2 3.8Å; R74-E114 IonicContact NH1-OE1 3.75Å; R74-E114 PolarHBondContact NH1-OE1 3.42Å; R74-E114 IonicContact NH1-OE2 3.43Å; R74-E114 PolarHBondContact NH1-OE2 3.14Å; R74-E114 IonicContact NH2-OE1 3.84Å; R74-E114 PolarHBondContact NH2-OE1 2.78Å; R74-E114 IonicContact NH2-OE2 3.63Å; R74-E114 PolarHBondContact NH2-OE2 2.75Å; R74-E114 VanDerWaalsContact NH2-OE2 3.11Å; V77-E114 HydrophobicContact CG1-CB 4.23Å; V77-E114 HydrophobicContact CG2-CB 3.87Å; V112-E114 PolarHBondContact O-N 3.44Å; E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 PolarHBondContact O-N 3.27Å
115L98.4Very high98.1Very high2 Ų228.1 Ų28.11%0.0117%0.165CC..Hα-helixtrans-72.8-42.2176-176.760.6000110.9C71 V77 A80 A107 V112 P113 A117 L118 L119C71-L115 HydrophobicContact CB-CD1 4.47Å; C71-L115 HydrophobicContact CB-CD2 4.08Å; C71-L115 WeakPolarHBondContact O-CD2 3.44Å; V77-L115 HydrophobicContact CG2-CB 4.17Å; A80-L115 HydrophobicContact CB-CD1 3.4Å; A80-L115 VanDerWaalsContact CB-CD1 3.4Å; A107-L115 HydrophobicContact CB-CB 4.16Å; A107-L115 HydrophobicContact CB-CD2 3.65Å; A107-L115 HydrophobicContact CB-CG 3.74Å; V112-L115 HydrophobicContact CB-CB 3.98Å; V112-L115 HydrophobicContact CG1-CB 3.63Å; V112-L115 PolarHBondContact O-N 3.17Å; V112-L115 VanDerWaalsContact O-N 3.13Å; P113-L115 VanDerWaalsContact C-N 3.27Å; P113-L115 PolarHBondContact O-N 3.06Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 2.71Å; L115-L118 HydrophobicContact CD1-CD2 4.38Å; L115-L118 PolarHBondContact O-N 3.16Å; L115-L119 HydrophobicContact CD1-CD1 4.39Å; L115-L119 HydrophobicContact CD1-CG 4.35Å; L115-L119 HydrophobicContact CG-CD1 4.08Å; L115-L119 HydrophobicContact CG-CG 4.48Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.48Å
116V98.7Very high98.1Very high0 Ų029.1 Ų29.10%017%0.171CC..Hα-helixtrans-58.6-46173.6175.60000110.3L104 A107 V112 P113 L118 L119 L120 V159 L162 L163L104-V116 HydrophobicContact CD1-CB 4.4Å; L104-V116 HydrophobicContact CD1-CG1 3.85Å; L104-V116 HydrophobicContact CD1-CG2 4.43Å; A107-V116 HydrophobicContact CB-CG2 3.63Å; V112-V116 WeakPolarHBondContact O-CG2 3.44Å; V112-V116 PolarHBondContact O-N 3.22Å; P113-V116 PolarHBondContact O-N 2.91Å; V116-L118 PolarHBondContact O-N 3.1Å; V116-L119 PolarHBondContact O-N 2.95Å; V116-L120 HydrophobicContact CG1-CD1 3.74Å; V116-L120 HydrophobicContact CG1-CG 4.31Å; V116-L120 WeakPolarHBondContact O-CB 3.38Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.39Å; V116-L120 PolarHBondContact O-N 3.39Å; V116-V159 HydrophobicContact CG1-CG1 4.42Å; V116-V159 HydrophobicContact CG2-CG1 3.96Å; V116-V159 HydrophobicContact CG2-CG2 3.94Å; V116-L162 HydrophobicContact CB-CD2 3.88Å; V116-L162 HydrophobicContact CG1-CD2 3.56Å; V116-L162 HydrophobicContact CG1-CG 4.42Å; V116-L163 HydrophobicContact CG1-CD2 4.01Å; V116-L163 HydrophobicContact CG1-CG 4.22Å
117A98.5Very high98.1Very high32 Ų3231.1 Ų31.126%0.26418%0.181SC..Hα-helixtrans-61.4-44.9177.600000112P113 L115 L119 L120 T121 L162P113-A117 WeakPolarHBondContact O-CB 3.3Å; P113-A117 PolarHBondContact O-N 2.71Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 2.71Å; A117-L119 PolarHBondContact O-N 2.68Å; A117-L120 PolarHBondContact O-N 2.98Å; A117-T121 WeakPolarHBondContact O-CB 3.32Å; A117-T121 VanDerWaalsContact O-CG2 3.26Å; A117-T121 WeakPolarHBondContact O-CG2 3.33Å; A117-T121 PolarHBondContact O-N 3.29Å; A117-T121 PolarHBondContact O-OG1 3.17Å; A117-L162 HydrophobicContact CB-CD1 4.48Å; A117-L162 HydrophobicContact CB-CD2 3.72Å
118L98.1Very high98.1Very high11 Ų1132 Ų326%0.05819%0.187CC..Hα-helixtrans-59.5-45.8175.1-178.869.8000111.5V77 A80 R81 I84 E114 L115 V116 T121 H122V77-L118 HydrophobicContact CG1-CD2 4.45Å; A80-L118 HydrophobicContact CB-CD2 3.81Å; R81-L118 HydrophobicContact CB-CD2 4.11Å; I84-L118 HydrophobicContact CD1-CD2 4.01Å; I84-L118 HydrophobicContact CD1-CG 4.03Å; E114-L118 WeakPolarHBondContact O-CB 3.36Å; E114-L118 PolarHBondContact O-N 3.27Å; L115-L118 HydrophobicContact CD1-CD2 4.38Å; L115-L118 PolarHBondContact O-N 3.16Å; V116-L118 PolarHBondContact O-N 3.1Å; L118-T121 WeakPolarHBondContact CA-OG1 3.47Å; L118-T121 PolarHBondContact O-OG1 3.06Å; L118-H122 PolarHBondContact O-CD2 3.31Å; L118-H122 VanDerWaalsContact O-CD2 3.23Å; L118-H122 PolarHBondContact O-N 2.86Å
119L98.3Very high98Very high1 Ų135.7 Ų35.71%0.00521%0.207CC..Hα-helixtrans-64.9-45.3-179.8-70.4170.9000111.9L68 I84 V91 P103 L104 A107 L115 V116 A117 H122 G123 A124L68-L119 HydrophobicContact CD1-CD2 4.5Å; L68-L119 HydrophobicContact CD2-CD2 3.88Å; L68-L119 HydrophobicContact CG-CD2 4.35Å; I84-L119 HydrophobicContact CD1-CD2 4.03Å; V91-L119 HydrophobicContact CB-CD2 4.36Å; V91-L119 HydrophobicContact CG1-CD2 4.27Å; P103-L119 HydrophobicContact CB-CD1 4.11Å; P103-L119 HydrophobicContact CB-CD2 4.12Å; L104-L119 HydrophobicContact CB-CD1 4.43Å; L104-L119 HydrophobicContact CD1-CB 4.13Å; L104-L119 HydrophobicContact CD1-CD1 4.3Å; A107-L119 HydrophobicContact CB-CD1 3.86Å; L115-L119 HydrophobicContact CD1-CD1 4.39Å; L115-L119 HydrophobicContact CD1-CG 4.35Å; L115-L119 HydrophobicContact CG-CD1 4.08Å; L115-L119 HydrophobicContact CG-CG 4.48Å; L115-L119 WeakPolarHBondContact O-CB 3.48Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.32Å; L115-L119 PolarHBondContact O-N 3.48Å; V116-L119 PolarHBondContact O-N 2.95Å; A117-L119 PolarHBondContact O-N 2.68Å; L119-H122 CarbonylContact O-C 3.6Å; L119-H122 PolarHBondContact O-N 3.37Å; L119-G123 PolarHBondContact O-N 3.47Å; L119-A124 VanDerWaalsContact C-CB 3.48Å; L119-A124 HydrophobicContact CB-CB 3.85Å; L119-A124 WeakPolarHBondContact O-CB 3.42Å; L119-A124 PolarHBondContact O-N 2.99Å
120L98.3Very high98Very high14 Ų1433.1 Ų33.17%0.07320%0.197CC..Hα-helixtrans-63.4-44.9179.4-69.6170000112L104 V116 A117 H122 G123 V126 L162 L163 H166L104-L120 HydrophobicContact CD1-CD2 4.33Å; L104-L120 HydrophobicContact CD1-CG 4.26Å; L104-L120 HydrophobicContact CD2-CD2 3.9Å; V116-L120 HydrophobicContact CG1-CD1 3.74Å; V116-L120 HydrophobicContact CG1-CG 4.31Å; V116-L120 WeakPolarHBondContact O-CB 3.38Å; V116-L120 VanDerWaalsContact O-CG 3.28Å; V116-L120 WeakPolarHBondContact O-CG 3.39Å; V116-L120 PolarHBondContact O-N 3.39Å; A117-L120 PolarHBondContact O-N 2.98Å; L120-H122 PolarHBondContact O-N 2.96Å; L120-G123 PolarHBondContact O-N 3.48Å; L120-G123 VanDerWaalsContact O-N 3.09Å; L120-V126 HydrophobicContact CD2-CB 4.02Å; L120-V126 HydrophobicContact CD2-CG2 4.05Å; L120-L162 HydrophobicContact CD1-CD2 4.19Å; L120-L162 HydrophobicContact CD1-CG 4.07Å; L120-L163 HydrophobicContact CD1-CD2 4.2Å; L120-L163 HydrophobicContact CD2-CD2 4.4Å; L120-H166 HydrophobicContact CD1-CB 4.04Å; L120-H166 HydrophobicContact CD2-CB 4.37Å
121T97.4Very high98Very high95 Ų9530.5 Ų30.558%0.58319%0.193SC*.Hα-helixtrans-62.5-22.5176.951.70000113.3A117 L118A117-T121 WeakPolarHBondContact O-CB 3.32Å; A117-T121 VanDerWaalsContact O-CG2 3.26Å; A117-T121 WeakPolarHBondContact O-CG2 3.33Å; A117-T121 PolarHBondContact O-N 3.29Å; A117-T121 PolarHBondContact O-OG1 3.17Å; L118-T121 WeakPolarHBondContact CA-OG1 3.47Å; L118-T121 PolarHBondContact O-OG1 3.06Å
122H96.8Very high97.9Very high76 Ų7634.9 Ų34.935%0.35222%0.215SC..THydrogen-bonded Turntrans-10320.7176.9-74.5-75.6000114.1I84 L85 V91 L118 L119 L120I84-H122 HydrophobicContact CG2-CB 3.79Å; L85-H122 WeakPolarHBondContact CD2-CE1 3.33Å; V91-H122 HydrophobicContact CG1-CB 4.38Å; L118-H122 PolarHBondContact O-CD2 3.31Å; L118-H122 VanDerWaalsContact O-CD2 3.23Å; L118-H122 PolarHBondContact O-N 2.86Å; L119-H122 CarbonylContact O-C 3.6Å; L119-H122 PolarHBondContact O-N 3.37Å; L120-H122 PolarHBondContact O-N 2.96Å
123G96.2Very high97.9Very high50 Ų5038.7 Ų38.752%0.51523%0.232SC..THydrogen-bonded Turntrans8623.5168.700000114.8N92 L119 L120 S125N92-G123 PolarHBondContact ND2-O 3.31Å; L119-G123 PolarHBondContact O-N 3.47Å; L120-G123 PolarHBondContact O-N 3.48Å; L120-G123 VanDerWaalsContact O-N 3.09Å; G123-S125 PolarHBondContact O-N 3.04Å
124A98Very high97.9Very high10 Ų1040.2 Ų40.28%0.08324%0.239CC..  trans-61.7131.9166.600000110.2N92 L104 L119 V126N92-A124 VanDerWaalsContact OD1-CA 3.29Å; N92-A124 WeakPolarHBondContact OD1-CA 3.43Å; L104-A124 HydrophobicContact CB-CB 4.31Å; L104-A124 HydrophobicContact CD2-CB 4.01Å; L119-A124 VanDerWaalsContact C-CB 3.48Å; L119-A124 HydrophobicContact CB-CB 3.85Å; L119-A124 WeakPolarHBondContact O-CB 3.42Å; L119-A124 PolarHBondContact O-N 2.99Å; A124-V126 PolarHBondContact O-N 3.47Å
125S98.3Very high97.9Very high57 Ų5737.4 Ų37.440%0.39923%0.226SC..  trans-75.4109.9178.7163.10000109.4N92 G123 N127 S128N92-S125 PolarHBondContact OD1-N 3.06Å; G123-S125 PolarHBondContact O-N 3.04Å; S125-N127 PolarHBondContact O-N 3.49Å; S125-S128 WeakPolarHBondContact CB-OG 3.4Å; S125-S128 WeakPolarHBondContact O-CB 3.34Å; S125-S128 PolarHBondContact O-N 2.69Å; S125-S128 PolarHBondContact O-OG 3.19Å; S125-S128 PolarHBondContact OG-OG 3.01Å; S125-S128 VanDerWaalsContact OG-OG 3.05Å
126V98.4Very high97.9Very high22 Ų2237.3 Ų37.313%0.13323%0.225CC..THydrogen-bonded Turntrans-59.8-30.3-174.170.90000113.4L120 A124 P136 L163 H166 A168L120-V126 HydrophobicContact CD2-CB 4.02Å; L120-V126 HydrophobicContact CD2-CG2 4.05Å; A124-V126 PolarHBondContact O-N 3.47Å; V126-P136 WeakPolarHBondContact O-CD 3.27Å; V126-L163 HydrophobicContact CG2-CB 4.48Å; V126-L163 HydrophobicContact CG2-CD2 3.87Å; V126-H166 HydrophobicContact CG2-CB 4.46Å; V126-A168 HydrophobicContact CG2-CB 3.65Å
127N98.4Very high97.9Very high52 Ų5237.3 Ų37.328%0.27823%0.226SC..THydrogen-bonded Turntrans-109.224.8-177.8-67.6-34.5000112.3S125 A168 D169 L172S125-N127 PolarHBondContact O-N 3.49Å; N127-A168 WeakPolarHBondContact OD1-CA 3.45Å; N127-D169 PolarHBondContact OD1-N 3.18Å; N127-L172 HydrophobicContact CB-CD1 3.73Å
128S98.1Very high97.9Very high18 Ų1835.9 Ų35.913%0.12621%0.213CC..  trans-58.2143.5173.6-57.70000110.1H105 S125 P136H105-S128 PolarHBondContact CE1-O 2.92Å; H105-S128 VanDerWaalsContact CE1-O 3.25Å; H105-S128 PolarHBondContact NE2-O 3.38Å; S125-S128 WeakPolarHBondContact CB-OG 3.4Å; S125-S128 WeakPolarHBondContact O-CB 3.34Å; S125-S128 PolarHBondContact O-N 2.69Å; S125-S128 PolarHBondContact O-OG 3.19Å; S125-S128 PolarHBondContact OG-OG 3.01Å; S125-S128 VanDerWaalsContact OG-OG 3.05Å; S128-P136 WeakPolarHBondContact O-CD 3.2Å
129L98.1Very high98Very high79 Ų7935.5 Ų35.541%0.41421%0.212SC..  trans-106.9132.5177.9-58-179.7000109.4E134 T135L129-E134 WeakPolarHBondContact CA-O 3.47Å; L129-T135 HydrophobicContact CD2-CG2 3.65Å
130N97.8Very high98Very high3 Ų335.5 Ų35.52%0.01621%0.211CC..  trans-84.3-173.5170.578.8-1.7000111E99 D101 L132 Q133 E134E99-N130 VanDerWaalsContact O-CB 3.3Å; E99-N130 WeakPolarHBondContact O-CB 3.15Å; D101-N130 WeakPolarHBondContact OD1-CB 3.4Å; D101-N130 PolarHBondContact OD1-ND2 2.93Å; N130-L132 PolarHBondContact O-N 3.46Å; N130-L132 WeakPolarHBondContact OD1-CA 3.28Å; N130-L132 WeakPolarHBondContact OD1-CB 3.31Å; N130-L132 PolarHBondContact OD1-N 3.13Å; N130-Q133 PolarHBondContact O-N 3.04Å; N130-Q133 PolarHBondContact O-NE2 3.24Å; N130-Q133 PolarHBondContact OD1-N 3.39Å; N130-E134 PolarHBondContact N-O 2.86Å; N130-E134 VanDerWaalsContact N-O 3.1Å; N130-E134 PolarHBondContact ND2-OE2 3.28Å; N130-E134 WeakPolarHBondContact OD1-CB 3.47Å; N130-E134 PolarHBondContact OD1-N 3.46Å
131A97.6Very high98Very high41 Ų4134.8 Ų34.834%0.33921%0.208SC..THydrogen-bonded Turntrans-61-27.8-178.900000113.2N98 E99 E100 Q133N98-A131 WeakPolarHBondContact O-CB 3.4Å; E99-A131 WeakPolarHBondContact O-CB 3.41Å; E99-A131 PolarHBondContact O-N 3.32Å; E100-A131 HydrophobicContact CB-CB 4.01Å; E100-A131 HydrophobicContact CG-CB 3.99Å; A131-Q133 VanDerWaalsContact C-N 3.26Å; A131-Q133 PolarHBondContact O-N 3.28Å
132L96.3Very high98Very high98 Ų9834.4 Ų34.451%0.51320%0.198SC..THydrogen-bonded Turntrans-864.9177-60.6175000112.9N130 E134 G175N130-L132 PolarHBondContact O-N 3.46Å; N130-L132 WeakPolarHBondContact OD1-CA 3.28Å; N130-L132 WeakPolarHBondContact OD1-CB 3.31Å; N130-L132 PolarHBondContact OD1-N 3.13Å; L132-E134 HydrophobicContact CB-CG 3.86Å; L132-E134 PolarHBondContact O-N 3.41Å; L132-G175 PolarHBondContact O-N 3.22Å
133Q97.9Very high98Very high88 Ų8836.5 Ų36.541%0.41120%0.203SC..  trans60.822.2-171.2-52.8-63.6-70.200113.1N130 A131 E174N130-Q133 PolarHBondContact O-N 3.04Å; N130-Q133 PolarHBondContact O-NE2 3.24Å; N130-Q133 PolarHBondContact OD1-N 3.39Å; A131-Q133 VanDerWaalsContact C-N 3.26Å; A131-Q133 PolarHBondContact O-N 3.28Å; Q133-E174 WeakPolarHBondContact O-CA 3.31Å
134E98.1Very high98Very high36 Ų3634.1 Ų34.117%0.16818%0.178CC..  trans-80.2146.7175-61.5175.2147.600109.9H105 L129 N130 L132 M138 E174H105-E134 PolarHBondContact NE2-O 3.22Å; L129-E134 WeakPolarHBondContact CA-O 3.47Å; N130-E134 PolarHBondContact N-O 2.86Å; N130-E134 VanDerWaalsContact N-O 3.1Å; N130-E134 PolarHBondContact ND2-OE2 3.28Å; N130-E134 WeakPolarHBondContact OD1-CB 3.47Å; N130-E134 PolarHBondContact OD1-N 3.46Å; L132-E134 HydrophobicContact CB-CG 3.86Å; L132-E134 PolarHBondContact O-N 3.41Å; E134-M138 HydrophobicContact CB-CB 4.43Å; E134-M138 HydrophobicContact CB-SD 4.36Å; E134-E174 HydrophobicContact CG-CB 3.93Å
135T98.6Very high97.9Very high0 Ų034.3 Ų34.30%018%0.178CC..  trans-94.5160.6168.760.70000110L129 L137 M138 T139 L172L129-T135 HydrophobicContact CD2-CG2 3.65Å; T135-L137 PolarHBondContact O-N 2.91Å; T135-L137 VanDerWaalsContact O-N 3.11Å; T135-M138 HydrophobicContact CG2-CE 4.32Å; T135-M138 WeakPolarHBondContact O-CB 3.3Å; T135-M138 PolarHBondContact O-N 3.32Å; T135-M138 WeakPolarHBondContact OG1-CG 3.15Å; T135-M138 PolarHBondContact OG1-N 3.27Å; T135-T139 PolarHBondContact O-N 3.06Å; T135-T139 PolarHBondContact O-OG1 2.97Å; T135-L172 HydrophobicContact CG2-CB 3.9Å; T135-L172 HydrophobicContact CG2-CD1 3.55Å; T135-L172 HydrophobicContact CG2-CG 4.37Å
136P98.7Very high97.6Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-54.6-32.4171.5-26.234.1000113.2L104 H105 A108 V126 S128 T139 A140 L163L104-P136 HydrophobicContact CB-CG 4.23Å; L104-P136 HydrophobicContact CD2-CB 4.18Å; L104-P136 HydrophobicContact CD2-CG 3.78Å; L104-P136 HydrophobicContact CG-CB 3.86Å; L104-P136 HydrophobicContact CG-CG 3.78Å; H105-P136 WeakPolarHBondContact NE2-CD 2.82Å; A108-P136 HydrophobicContact CB-CB 4.12Å; A108-P136 VanDerWaalsContact CB-O 3.3Å; A108-P136 WeakPolarHBondContact CB-O 3.34Å; V126-P136 WeakPolarHBondContact O-CD 3.27Å; S128-P136 WeakPolarHBondContact O-CD 3.2Å; P136-T139 PolarHBondContact O-N 2.92Å; P136-A140 WeakPolarHBondContact O-CB 3.36Å; P136-A140 PolarHBondContact O-N 3.11Å; P136-L163 HydrophobicContact CB-CD1 4.23Å; P136-L163 HydrophobicContact CB-CD2 4.26Å
137L98.8Very high97.1Very high1 Ų137.8 Ų37.81%0.00520%0.197CC..Hα-helixtrans-65.8-41.9175.8178.264.1000111.9T135 A141 C160 L163 L164 A168 P170 A180 L196T135-L137 PolarHBondContact O-N 2.91Å; T135-L137 VanDerWaalsContact O-N 3.11Å; L137-A141 WeakPolarHBondContact O-CB 3.37Å; L137-A141 PolarHBondContact O-N 3.43Å; L137-C160 HydrophobicContact CD1-CB 4.02Å; L137-L163 HydrophobicContact CB-CD1 4.19Å; L137-L163 HydrophobicContact CD1-CB 4.28Å; L137-L163 HydrophobicContact CD1-CD1 4.39Å; L137-L164 HydrophobicContact CD1-CD2 4.31Å; L137-L164 HydrophobicContact CD1-CG 4.18Å; L137-L164 HydrophobicContact CD2-CD2 3.66Å; L137-L164 HydrophobicContact CD2-CG 4.41Å; L137-A168 HydrophobicContact CB-CB 4.3Å; L137-A168 HydrophobicContact CD2-CB 3.99Å; L137-P170 HydrophobicContact CD2-CB 4.16Å; L137-A180 HydrophobicContact CD2-CB 4Å; L137-A180 HydrophobicContact CG-CB 3.95Å; L137-L196 HydrophobicContact CD1-CD2 4.29Å; L137-L196 HydrophobicContact CD2-CD2 4Å; L137-L196 HydrophobicContact CG-CD2 4.38Å
138M98.8Very high96.6Very high2 Ų244 Ų441%0.0122%0.222CC..Hα-helixtrans-65.5-42.6174.9-68.1168.5-170.300111.5E134 T135 A141 F142 L172 E174 A180E134-M138 HydrophobicContact CB-CB 4.43Å; E134-M138 HydrophobicContact CB-SD 4.36Å; T135-M138 HydrophobicContact CG2-CE 4.32Å; T135-M138 WeakPolarHBondContact O-CB 3.3Å; T135-M138 PolarHBondContact O-N 3.32Å; T135-M138 WeakPolarHBondContact OG1-CG 3.15Å; T135-M138 PolarHBondContact OG1-N 3.27Å; M138-A141 PolarHBondContact O-N 2.61Å; M138-F142 WeakPolarHBondContact O-CB 3.45Å; M138-F142 PolarHBondContact O-N 2.96Å; M138-L172 HydrophobicContact CE-CB 4.05Å; M138-L172 WeakPolarHBondContact CE-O 3.45Å; M138-E174 HydrophobicContact SD-CB 3.97Å; M138-E174 HydrophobicContact SD-CG 4.35Å; M138-A180 HydrophobicContact CG-CB 4.22Å
139T98.3Very high96.2Very high3 Ų349.6 Ų49.62%0.01825%0.246CC..Hα-helixtrans-58.7-51.9176.1-50.20000110.2R109 T135 P136 A141 F142 W143R109-T139 HydrophobicContact CB-CG2 3.67Å; R109-T139 HydrophobicContact CG-CG2 4.4Å; T135-T139 PolarHBondContact O-N 3.06Å; T135-T139 PolarHBondContact O-OG1 2.97Å; P136-T139 PolarHBondContact O-N 2.92Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 3.23Å; T139-F142 PolarHBondContact O-N 3.36Å; T139-W143 PolarHBondContact O-N 3.44Å; T139-W143 VanDerWaalsContact O-N 3.1Å
140A98.6Very high95.8Very high0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-59.2-42.1176.900000112.5A108 P136 F142 W143 A144 H156 V159 C160 L163A108-A140 HydrophobicContact CB-CB 4.03Å; P136-A140 WeakPolarHBondContact O-CB 3.36Å; P136-A140 PolarHBondContact O-N 3.11Å; A140-F142 PolarHBondContact O-N 3.24Å; A140-W143 PolarHBondContact O-N 2.68Å; A140-A144 PolarHBondContact O-N 3.2Å; A140-A144 VanDerWaalsContact O-N 3.07Å; A140-H156 PolarHBondContact O-CD2 3.25Å; A140-V159 HydrophobicContact CB-CB 4.37Å; A140-V159 HydrophobicContact CB-CG1 3.58Å; A140-C160 VanDerWaalsContact CB-SG 3.57Å; A140-L163 HydrophobicContact CB-CD1 4.34Å
141A98.4Very high95.5Very high0 Ų051.8 Ų51.80%026%0.259CS..Hα-helixtrans-65.1-38.618000000113L137 M138 T139 M183 N187 L192L137-A141 WeakPolarHBondContact O-CB 3.37Å; L137-A141 PolarHBondContact O-N 3.43Å; M138-A141 PolarHBondContact O-N 2.61Å; T139-A141 VanDerWaalsContact C-N 3.32Å; T139-A141 PolarHBondContact O-N 3.23Å; A141-M183 HydrophobicContact CB-CB 3.92Å; A141-N187 PolarHBondContact O-ND2 3.26Å; A141-L192 HydrophobicContact CB-CD2 3.72Å
142F97.5Very high95.4Very high86 Ų8652.1 Ų52.138%0.37725%0.252SS..Hα-helixtrans-67.1-47177.3178.9-94.5000111.4M138 T139 A140 A144 M183 N187M138-F142 WeakPolarHBondContact O-CB 3.45Å; M138-F142 PolarHBondContact O-N 2.96Å; T139-F142 PolarHBondContact O-N 3.36Å; A140-F142 PolarHBondContact O-N 3.24Å; F142-A144 VanDerWaalsContact C-N 3.26Å; F142-A144 PolarHBondContact O-N 3.26Å; F142-M183 HydrophobicContact CB-CB 4.38Å; F142-M183 HydrophobicContact CB-CG 4.41Å; F142-M183 HydrophobicContact CD2-SD 4.14Å; F142-N187 PolarHBondContact O-ND2 2.88Å
143W97.4Very high95.3Very high120 Ų12049.1 Ų49.146%0.45524%0.239SC..Hα-helixtrans-79.3-2.7-177.8-69.1101.6000114.4R109 T139 A140 F145 H156R109-W143 HydrophobicContact CG-CD2 4.27Å; R109-W143 HydrophobicContact CG-CG 4.22Å; R109-W143 HydrophobicContact CG-CZ2 4.5Å; T139-W143 PolarHBondContact O-N 3.44Å; T139-W143 VanDerWaalsContact O-N 3.1Å; A140-W143 PolarHBondContact O-N 2.68Å; W143-F145 PolarHBondContact O-N 3.08Å; W143-F145 VanDerWaalsContact O-N 3.14Å; W143-H156 WeakPolarHBondContact CB-NE2 2.91Å
144A96.9Very high95.2Very high0 Ų052.8 Ų52.80%026%0.256CS..THydrogen-bonded Turntrans-62.9-17.9177.800000114.8A140 F142 Y152 S153 H156 L192A140-A144 PolarHBondContact O-N 3.2Å; A140-A144 VanDerWaalsContact O-N 3.07Å; F142-A144 VanDerWaalsContact C-N 3.26Å; F142-A144 PolarHBondContact O-N 3.26Å; A144-Y152 CarbonylContact O-C 3.44Å; A144-Y152 WeakPolarHBondContact O-CA 3.42Å; A144-S153 PolarHBondContact O-N 3.43Å; A144-H156 HydrophobicContact CB-CB 3.71Å; A144-L192 HydrophobicContact CB-CD2 4.2Å
145F95.4Very high95.2Very high15 Ų1554.7 Ų54.77%0.06627%0.268CS..EExtended strand (participates in β ladder)trans-112.1118.5178.1177-107.5000111.4W143 S147 Y152 N187W143-F145 PolarHBondContact O-N 3.08Å; W143-F145 VanDerWaalsContact O-N 3.14Å; F145-S147 PolarHBondContact O-N 3.01Å; F145-Y152 HydrophobicContact CB-CD1 4.24Å; F145-Y152 HydrophobicContact CB-CE1 4.36Å; F145-Y152 AromaticContact CD2-CD1 3.8Å; F145-Y152 HydrophobicContact CD2-CD1 3.8Å; F145-Y152 AromaticContact CD2-CE1 3.58Å; F145-Y152 HydrophobicContact CD2-CE1 3.58Å; F145-Y152 HydrophobicContact CE2-CE1 4.32Å; F145-Y152 HydrophobicContact CG-CD1 4.5Å; F145-Y152 HydrophobicContact CG-CE1 4.32Å; F145-N187 HydrophobicContact CB-CB 3.87Å; F145-N187 VanDerWaalsContact CB-CG 3.46Å; F145-N187 HydrophobicContact CG-CB 4.49Å
146D91.9Very high95.2Very high69 Ų6955.6 Ų55.637%0.36927%0.271SS..EExtended strand (participates in β ladder)trans-81.9106.5172.1-168.3-31.2000110K148 E149 Q150 V151D146-K148 VanDerWaalsContact C-N 3.25Å; D146-K148 PolarHBondContact O-N 3.19Å; D146-K148 WeakPolarHBondContact OD1-CA 3.45Å; D146-K148 WeakPolarHBondContact OD1-CB 3.5Å; D146-K148 PolarHBondContact OD1-N 3.21Å; D146-E149 HydrophobicContact CB-CB 4.36Å; D146-E149 PolarHBondContact OD1-N 2.82Å; D146-Q150 WeakPolarHBondContact O-CA 3.38Å; D146-Q150 PolarHBondContact O-N 3.1Å; D146-V151 HydrophobicContact CB-CG2 4.4Å; D146-V151 PolarHBondContact N-O 3.27Å; D146-V151 PolarHBondContact O-N 3.09Å
147S87.6Confident95.2Very high82 Ų8256.9 Ų56.957%0.57328%0.278SS*.THydrogen-bonded Turntrans-64.6-21.9177.964.40000115F145 Q150F145-S147 PolarHBondContact O-N 3.01Å; S147-Q150 PolarHBondContact O-NE2 3.1Å
148K88.8Confident95.1Very high182 Ų18262.3 Ų62.379%0.79130%0.301SS*.THydrogen-bonded Turntrans-81.6-48.1179.5-63.4177.6-178.5172.90110.7D146D146-K148 VanDerWaalsContact C-N 3.25Å; D146-K148 PolarHBondContact O-N 3.19Å; D146-K148 WeakPolarHBondContact OD1-CA 3.45Å; D146-K148 WeakPolarHBondContact OD1-CB 3.5Å; D146-K148 PolarHBondContact OD1-N 3.21Å
149E89.1Confident95.2Very high136 Ų13662.2 Ų62.264%0.63630%0.301SS*.THydrogen-bonded Turntrans-87.7-11.2-177.8-60.7-56.3140.200112.7D146 V151D146-E149 HydrophobicContact CB-CB 4.36Å; D146-E149 PolarHBondContact OD1-N 2.82Å; E149-V151 VanDerWaalsContact C-N 3.27Å; E149-V151 HydrophobicContact CB-CG2 3.75Å; E149-V151 PolarHBondContact O-N 3.44Å
150Q88.7Confident95.2Very high53 Ų5362.1 Ų62.125%0.24830%0.3CS..THydrogen-bonded Turntrans5835.2-177.6-62.9-72.8-57.100113.3D146 S147 P225 M226D146-Q150 WeakPolarHBondContact O-CA 3.38Å; D146-Q150 PolarHBondContact O-N 3.1Å; S147-Q150 PolarHBondContact O-NE2 3.1Å; Q150-P225 VanDerWaalsContact OE1-CD 3.25Å; Q150-M226 WeakPolarHBondContact O-CG 3.47Å
151V92.4Very high95.2Very high75 Ų7566.8 Ų66.846%0.45532%0.318SS..EExtended strand (participates in β ladder)trans-125.2154.8-178.2-65.80000112.1D146 E149D146-V151 HydrophobicContact CB-CG2 4.4Å; D146-V151 PolarHBondContact N-O 3.27Å; D146-V151 PolarHBondContact O-N 3.09Å; E149-V151 VanDerWaalsContact C-N 3.27Å; E149-V151 HydrophobicContact CB-CG2 3.75Å; E149-V151 PolarHBondContact O-N 3.44Å
152Y94.1Very high95.2Very high49 Ų4968 Ų6819%0.19232%0.324CS..EExtended strand (participates in β ladder)trans-88.6136.1173-54.7-73.3000110.6A144 F145 N187 C188 D189 M226A144-Y152 CarbonylContact O-C 3.44Å; A144-Y152 WeakPolarHBondContact O-CA 3.42Å; F145-Y152 HydrophobicContact CB-CD1 4.24Å; F145-Y152 HydrophobicContact CB-CE1 4.36Å; F145-Y152 AromaticContact CD2-CD1 3.8Å; F145-Y152 HydrophobicContact CD2-CD1 3.8Å; F145-Y152 AromaticContact CD2-CE1 3.58Å; F145-Y152 HydrophobicContact CD2-CE1 3.58Å; F145-Y152 HydrophobicContact CE2-CE1 4.32Å; F145-Y152 HydrophobicContact CG-CD1 4.5Å; F145-Y152 HydrophobicContact CG-CE1 4.32Å; Y152-N187 WeakPolarHBondContact CE1-O 3.35Å; Y152-N187 PolarHBondContact OH-O 2.98Å; Y152-C188 PolarHBondContact OH-O 3.38Å; Y152-D189 HydrophobicContact CD1-CB 4.03Å; Y152-D189 WeakPolarHBondContact CD1-OD2 3.46Å; Y152-D189 HydrophobicContact CE1-CB 3.75Å; Y152-M226 HydrophobicContact CE2-CB 4.34Å
153S95.3Very high95.2Very high35 Ų3563.9 Ų63.925%0.24531%0.306CS..  trans-84.9116.1178.1175.10000110.8A144 D155 H156 H157A144-S153 PolarHBondContact O-N 3.43Å; S153-D155 PolarHBondContact O-N 3.02Å; S153-D155 PolarHBondContact OG-N 2.83Å; S153-H156 WeakPolarHBondContact CB-ND1 3.36Å; S153-H156 PolarHBondContact O-N 3.04Å; S153-H156 PolarHBondContact OG-N 3.12Å; S153-H156 PolarHBondContact OG-ND1 2.9Å; S153-H157 PolarHBondContact O-N 2.74Å; S153-H157 VanDerWaalsContact O-N 3.15Å
154Q95.9Very high95.3Very high164 Ų16459.2 Ų59.277%0.76629%0.29SS*.Hα-helixtrans-60.7-34.1174.1-66.8-177.31.700112H157 F158Q154-H157 WeakPolarHBondContact O-CB 3.24Å; Q154-H157 PolarHBondContact O-N 2.81Å; Q154-F158 PolarHBondContact O-N 3.02Å
155D97.8Very high95.4Very high77 Ų7763.7 Ų63.741%0.41231%0.314SS..Hα-helixtrans-65.9-40.9178.1-66.9-44.7000111.6G111 P113 S153 H157 F158 V159G111-D155 VanDerWaalsContact O-CB 3.24Å; G111-D155 WeakPolarHBondContact O-CB 3.43Å; P113-D155 HydrophobicContact CG-CB 4.15Å; S153-D155 PolarHBondContact O-N 3.02Å; S153-D155 PolarHBondContact OG-N 2.83Å; D155-H157 PolarHBondContact O-N 3.49Å; D155-F158 PolarHBondContact O-N 3.23Å; D155-V159 WeakPolarHBondContact O-CG2 3.49Å; D155-V159 PolarHBondContact O-N 3.08Å
156H98.4Very high95.5Very high18 Ų1866.8 Ų66.88%0.08333%0.328CS..Hα-helixtrans-66.5-36.2174.5-72.783.2000112.4A108 R109 G111 A140 W143 A144 S153 F158 V159 C160A108-H156 PolarHBondContact O-CD2 3.05Å; R109-H156 PolarHBondContact O-NE2 2.78Å; G111-H156 PolarHBondContact N-NE2 3.1Å; A140-H156 PolarHBondContact O-CD2 3.25Å; W143-H156 WeakPolarHBondContact CB-NE2 2.91Å; A144-H156 HydrophobicContact CB-CB 3.71Å; S153-H156 WeakPolarHBondContact CB-ND1 3.36Å; S153-H156 PolarHBondContact O-N 3.04Å; S153-H156 PolarHBondContact OG-N 3.12Å; S153-H156 PolarHBondContact OG-ND1 2.9Å; H156-F158 VanDerWaalsContact C-N 3.33Å; H156-V159 PolarHBondContact O-N 3.22Å; H156-C160 PolarHBondContact O-N 3.39Å; H156-C160 PolarHBondContact O-SG 3.1Å
157H98.4Very high95.8Very high28 Ų2871.5 Ų71.513%0.1335%0.348CS..Hα-helixtrans-60.5-44.1171.3-66.6167.1000111.5S153 Q154 D155 C160 R161 D189 M195S153-H157 PolarHBondContact O-N 2.74Å; S153-H157 VanDerWaalsContact O-N 3.15Å; Q154-H157 WeakPolarHBondContact O-CB 3.24Å; Q154-H157 PolarHBondContact O-N 2.81Å; D155-H157 PolarHBondContact O-N 3.49Å; H157-C160 PolarHBondContact O-N 2.78Å; H157-R161 WeakPolarHBondContact O-CB 3.48Å; H157-R161 PolarHBondContact O-N 3.25Å; H157-D189 IonicContact CD2-OD2 2.71Å; H157-D189 IonicContact CE1-OD1 3.72Å; H157-D189 IonicContact CE1-OD2 2.78Å; H157-D189 IonicContact NE2-OD1 3.85Å; H157-D189 PolarHBondContact NE2-OD1 2.9Å; H157-D189 IonicContact NE2-OD2 3.31Å; H157-D189 PolarHBondContact NE2-OD2 3.48Å; H157-M195 HydrophobicContact CB-CE 4.01Å
158F98.5Very high96.3Very high115 Ų11568 Ų6850%0.50432%0.324SS..Hα-helixtrans-67.8-37.7178.5-168.2-125.3000112P113 Q154 D155 H156 R161 L162P113-F158 HydrophobicContact CB-CD1 3.25Å; P113-F158 HydrophobicContact CB-CE1 3.75Å; P113-F158 HydrophobicContact CB-CG 4.3Å; P113-F158 HydrophobicContact CG-CB 4.26Å; P113-F158 HydrophobicContact CG-CD1 3.62Å; P113-F158 HydrophobicContact CG-CG 4.43Å; Q154-F158 PolarHBondContact O-N 3.02Å; D155-F158 PolarHBondContact O-N 3.23Å; H156-F158 VanDerWaalsContact C-N 3.33Å; F158-R161 PolarHBondContact O-N 3.47Å; F158-L162 VanDerWaalsContact O-CB 3.31Å; F158-L162 WeakPolarHBondContact O-CB 3.36Å; F158-L162 PolarHBondContact O-N 3.49Å
159V98.8Very high96.8Very high0 Ų062.2 Ų62.20%030%0.302CS..Hα-helixtrans-59-49.2169.8167.20000111.3A108 P113 V116 A140 D155 H156 R161 L162 L163A108-V159 HydrophobicContact CB-CG1 4.25Å; P113-V159 HydrophobicContact CB-CG2 4.18Å; P113-V159 HydrophobicContact CG-CG2 4Å; V116-V159 HydrophobicContact CG1-CG1 4.42Å; V116-V159 HydrophobicContact CG2-CG1 3.96Å; V116-V159 HydrophobicContact CG2-CG2 3.94Å; A140-V159 HydrophobicContact CB-CB 4.37Å; A140-V159 HydrophobicContact CB-CG1 3.58Å; D155-V159 WeakPolarHBondContact O-CG2 3.49Å; D155-V159 PolarHBondContact O-N 3.08Å; H156-V159 PolarHBondContact O-N 3.22Å; V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 PolarHBondContact O-N 3.19Å; V159-L162 PolarHBondContact O-N 3.13Å; V159-L163 HydrophobicContact CG1-CD1 3.76Å; V159-L163 HydrophobicContact CG1-CG 4.31Å; V159-L163 VanDerWaalsContact O-CG 3.31Å; V159-L163 WeakPolarHBondContact O-CG 3.41Å; V159-L163 PolarHBondContact O-N 3.4Å
160C98.8Very high97.2Very high0 Ų056 Ų560%027%0.273CS..Hα-helixtrans-59.3-44.3178.7-68.30000110.9L137 A140 H156 H157 L162 L163 L164 L192L137-C160 HydrophobicContact CD1-CB 4.02Å; A140-C160 VanDerWaalsContact CB-SG 3.57Å; H156-C160 PolarHBondContact O-N 3.39Å; H156-C160 PolarHBondContact O-SG 3.1Å; H157-C160 PolarHBondContact O-N 2.78Å; C160-L162 PolarHBondContact O-N 2.95Å; C160-L163 PolarHBondContact O-N 3.36Å; C160-L164 VanDerWaalsContact O-CG 3.24Å; C160-L164 WeakPolarHBondContact O-CG 3.38Å; C160-L164 PolarHBondContact O-N 3.3Å; C160-L192 HydrophobicContact CB-CD1 3.56Å
161R98.6Very high97.7Very high98 Ų9856.1 Ų56.137%0.3728%0.276SS..Hα-helixtrans-58.9-48.3176.4-178.667.1-155.7-171.86.6111.7H157 F158 V159 L163 L164 D165 M195H157-R161 WeakPolarHBondContact O-CB 3.48Å; H157-R161 PolarHBondContact O-N 3.25Å; F158-R161 PolarHBondContact O-N 3.47Å; V159-R161 VanDerWaalsContact C-N 3.3Å; V159-R161 PolarHBondContact O-N 3.19Å; R161-L163 PolarHBondContact O-N 3.24Å; R161-L164 PolarHBondContact O-N 2.9Å; R161-D165 IonicContact CZ-OD1 2.74Å; R161-D165 VanDerWaalsContact CZ-OD1 3.27Å; R161-D165 IonicContact NE-OD1 2.67Å; R161-D165 PolarHBondContact NE-OD1 3.11Å; R161-D165 VanDerWaalsContact NE-OD1 3.1Å; R161-D165 IonicContact NE-OD2 3.6Å; R161-D165 PolarHBondContact NE-OD2 2.74Å; R161-D165 IonicContact NH2-OD1 3.05Å; R161-D165 PolarHBondContact NH2-OD1 3.42Å; R161-D165 IonicContact NH2-OD2 2.71Å; R161-D165 WeakPolarHBondContact O-CB 3.09Å; R161-D165 VanDerWaalsContact O-CG 3.3Å; R161-D165 PolarHBondContact O-N 2.89Å; R161-M195 HydrophobicContact CB-SD 4.07Å
162L98.6Very high98Very high26 Ų2655.1 Ų55.114%0.13627%0.267CS..Hα-helixtrans-61.3-43.5179.8-174.574.3000111.9V116 A117 L120 F158 V159 C160 D165 H166V116-L162 HydrophobicContact CB-CD2 3.88Å; V116-L162 HydrophobicContact CG1-CD2 3.56Å; V116-L162 HydrophobicContact CG1-CG 4.42Å; A117-L162 HydrophobicContact CB-CD1 4.48Å; A117-L162 HydrophobicContact CB-CD2 3.72Å; L120-L162 HydrophobicContact CD1-CD2 4.19Å; L120-L162 HydrophobicContact CD1-CG 4.07Å; F158-L162 VanDerWaalsContact O-CB 3.31Å; F158-L162 WeakPolarHBondContact O-CB 3.36Å; F158-L162 PolarHBondContact O-N 3.49Å; V159-L162 PolarHBondContact O-N 3.13Å; C160-L162 PolarHBondContact O-N 2.95Å; L162-D165 PolarHBondContact O-N 3.39Å; L162-H166 PolarHBondContact O-CD2 2.87Å; L162-H166 VanDerWaalsContact O-CD2 3.31Å; L162-H166 PolarHBondContact O-N 2.67Å
163L98.8Very high98.1Very high0 Ų057 Ų570%028%0.277CS..Hα-helixtrans-61.3-44.8176-70.8168.5000111.2L104 V116 L120 V126 P136 L137 A140 V159 C160 R161 H166 Q167 A168L104-L163 HydrophobicContact CD1-CD2 4.32Å; L104-L163 HydrophobicContact CD2-CD2 4.3Å; L104-L163 HydrophobicContact CG-CD2 4.49Å; V116-L163 HydrophobicContact CG1-CD2 4.01Å; V116-L163 HydrophobicContact CG1-CG 4.22Å; L120-L163 HydrophobicContact CD1-CD2 4.2Å; L120-L163 HydrophobicContact CD2-CD2 4.4Å; V126-L163 HydrophobicContact CG2-CB 4.48Å; V126-L163 HydrophobicContact CG2-CD2 3.87Å; P136-L163 HydrophobicContact CB-CD1 4.23Å; P136-L163 HydrophobicContact CB-CD2 4.26Å; L137-L163 HydrophobicContact CB-CD1 4.19Å; L137-L163 HydrophobicContact CD1-CB 4.28Å; L137-L163 HydrophobicContact CD1-CD1 4.39Å; A140-L163 HydrophobicContact CB-CD1 4.34Å; V159-L163 HydrophobicContact CG1-CD1 3.76Å; V159-L163 HydrophobicContact CG1-CG 4.31Å; V159-L163 VanDerWaalsContact O-CG 3.31Å; V159-L163 WeakPolarHBondContact O-CG 3.41Å; V159-L163 PolarHBondContact O-N 3.4Å; C160-L163 PolarHBondContact O-N 3.36Å; R161-L163 PolarHBondContact O-N 3.24Å; L163-H166 CarbonylContact O-C 3.54Å; L163-H166 WeakPolarHBondContact O-CA 3.13Å; L163-H166 PolarHBondContact O-N 3.33Å; L163-H166 VanDerWaalsContact O-N 3.17Å; L163-Q167 PolarHBondContact O-N 3.19Å; L163-A168 HydrophobicContact CB-CB 3.99Å; L163-A168 WeakPolarHBondContact O-CB 3.27Å; L163-A168 PolarHBondContact O-N 2.92Å
164L98.7Very high98.2Very high21 Ų2156.1 Ų56.111%0.1127%0.268CS..Hα-helixtrans-64.5-41177-67.8171.3000112.4L137 C160 R161 H166 Q167 A168 P170 M195 L196 A199L137-L164 HydrophobicContact CD1-CD2 4.31Å; L137-L164 HydrophobicContact CD1-CG 4.18Å; L137-L164 HydrophobicContact CD2-CD2 3.66Å; L137-L164 HydrophobicContact CD2-CG 4.41Å; C160-L164 VanDerWaalsContact O-CG 3.24Å; C160-L164 WeakPolarHBondContact O-CG 3.38Å; C160-L164 PolarHBondContact O-N 3.3Å; R161-L164 PolarHBondContact O-N 2.9Å; L164-H166 PolarHBondContact O-N 3.49Å; L164-Q167 PolarHBondContact O-N 3.16Å; L164-A168 HydrophobicContact CD2-CB 4.49Å; L164-P170 HydrophobicContact CD2-CB 4.42Å; L164-M195 HydrophobicContact CD1-CB 4.3Å; L164-L196 HydrophobicContact CD1-CD2 4.2Å; L164-L196 HydrophobicContact CD2-CD2 4.28Å; L164-A199 HydrophobicContact CB-CB 4.49Å; L164-A199 HydrophobicContact CD1-CB 4.05Å; L164-A199 HydrophobicContact CD2-CB 3.71Å; L164-A199 HydrophobicContact CG-CB 4.29Å
165D98.2Very high98.1Very high94 Ų9450.8 Ų50.850%0.50326%0.257SS..Hα-helixtrans-62.8-28175-71.1-28000111.6R161 L162 Q167R161-D165 IonicContact CZ-OD1 2.74Å; R161-D165 VanDerWaalsContact CZ-OD1 3.27Å; R161-D165 IonicContact NE-OD1 2.67Å; R161-D165 PolarHBondContact NE-OD1 3.11Å; R161-D165 VanDerWaalsContact NE-OD1 3.1Å; R161-D165 IonicContact NE-OD2 3.6Å; R161-D165 PolarHBondContact NE-OD2 2.74Å; R161-D165 IonicContact NH2-OD1 3.05Å; R161-D165 PolarHBondContact NH2-OD1 3.42Å; R161-D165 IonicContact NH2-OD2 2.71Å; R161-D165 WeakPolarHBondContact O-CB 3.09Å; R161-D165 VanDerWaalsContact O-CG 3.3Å; R161-D165 PolarHBondContact O-N 2.89Å; L162-D165 PolarHBondContact O-N 3.39Å; D165-Q167 VanDerWaalsContact C-N 3.3Å; D165-Q167 PolarHBondContact O-N 2.84Å
166H98.4Very high98Very high81 Ų8150.3 Ų50.338%0.37526%0.255SS..THydrogen-bonded Turntrans-88.921.8171-81.2-90.8000114.3L120 V126 L162 L163 L164 A168L120-H166 HydrophobicContact CD1-CB 4.04Å; L120-H166 HydrophobicContact CD2-CB 4.37Å; V126-H166 HydrophobicContact CG2-CB 4.46Å; L162-H166 PolarHBondContact O-CD2 2.87Å; L162-H166 VanDerWaalsContact O-CD2 3.31Å; L162-H166 PolarHBondContact O-N 2.67Å; L163-H166 CarbonylContact O-C 3.54Å; L163-H166 WeakPolarHBondContact O-CA 3.13Å; L163-H166 PolarHBondContact O-N 3.33Å; L163-H166 VanDerWaalsContact O-N 3.17Å; L164-H166 PolarHBondContact O-N 3.49Å; H166-A168 PolarHBondContact O-N 3.23Å
167Q97.8Very high98Very high168 Ų16852.7 Ų52.779%0.78527%0.268SS*.THydrogen-bonded Turntrans63.832.9175.5-52.5179-800114.5L163 L164 D165 D169L163-Q167 PolarHBondContact O-N 3.19Å; L164-Q167 PolarHBondContact O-N 3.16Å; D165-Q167 VanDerWaalsContact C-N 3.3Å; D165-Q167 PolarHBondContact O-N 2.84Å; Q167-D169 PolarHBondContact O-N 3.45Å
168A98.6Very high98Very high7 Ų753 Ų536%0.05827%0.27CS..  trans-55.8133.5163.600000110V126 N127 L137 L163 L164 H166 P170V126-A168 HydrophobicContact CG2-CB 3.65Å; N127-A168 WeakPolarHBondContact OD1-CA 3.45Å; L137-A168 HydrophobicContact CB-CB 4.3Å; L137-A168 HydrophobicContact CD2-CB 3.99Å; L163-A168 HydrophobicContact CB-CB 3.99Å; L163-A168 WeakPolarHBondContact O-CB 3.27Å; L163-A168 PolarHBondContact O-N 2.92Å; L164-A168 HydrophobicContact CD2-CB 4.49Å; H166-A168 PolarHBondContact O-N 3.23Å; A168-P170 VanDerWaalsContact O-CD 3.28Å; A168-P170 WeakPolarHBondContact O-CD 3.17Å
169D98.5Very high98Very high61 Ų6147.6 Ų47.633%0.32625%0.246SC..  trans-86.5110.8177.7-178.5-0.9000109.8N127 Q167 N171 L172N127-D169 PolarHBondContact OD1-N 3.18Å; Q167-D169 PolarHBondContact O-N 3.45Å; D169-N171 PolarHBondContact O-N 3.35Å; D169-N171 VanDerWaalsContact OD1-CB 3.29Å; D169-N171 WeakPolarHBondContact OD1-CB 3.44Å; D169-N171 PolarHBondContact OD1-N 3.27Å; D169-L172 HydrophobicContact CB-CD1 4.1Å; D169-L172 HydrophobicContact CB-CG 3.96Å
170P98.3Very high98Very high6 Ų647.6 Ų47.64%0.03925%0.246CC..THydrogen-bonded Turntrans-71.4-8.5-179.432.3-37.1000113.5L137 L164 A168 L196 A201L137-P170 HydrophobicContact CD2-CB 4.16Å; L164-P170 HydrophobicContact CD2-CB 4.42Å; A168-P170 VanDerWaalsContact O-CD 3.28Å; A168-P170 WeakPolarHBondContact O-CD 3.17Å; P170-L196 HydrophobicContact CB-CD2 3.98Å; P170-A201 HydrophobicContact CB-CB 3.97Å; P170-A201 HydrophobicContact CG-CB 4.16Å
171N98.4Very high98Very high56 Ų5647.6 Ų47.630%0.29925%0.246SC..THydrogen-bonded Turntrans-99.9-3.8-174.2-61.8-52.3000114.4D169 G200 A201 D202D169-N171 PolarHBondContact O-N 3.35Å; D169-N171 VanDerWaalsContact OD1-CB 3.29Å; D169-N171 WeakPolarHBondContact OD1-CB 3.44Å; D169-N171 PolarHBondContact OD1-N 3.27Å; N171-G200 PolarHBondContact ND2-O 3.3Å; N171-A201 WeakPolarHBondContact OD1-CA 3.23Å; N171-D202 WeakPolarHBondContact OD1-CB 3.3Å; N171-D202 PolarHBondContact OD1-N 3.35Å
172L98.3Very high98Very high53 Ų5343 Ų4328%0.27723%0.228SC..  trans-57153.6167.9-68.2175000109.7N127 T135 M138 D169N127-L172 HydrophobicContact CB-CD1 3.73Å; T135-L172 HydrophobicContact CG2-CB 3.9Å; T135-L172 HydrophobicContact CG2-CD1 3.55Å; T135-L172 HydrophobicContact CG2-CG 4.37Å; M138-L172 HydrophobicContact CE-CB 4.05Å; M138-L172 WeakPolarHBondContact CE-O 3.45Å; D169-L172 HydrophobicContact CB-CD1 4.1Å; D169-L172 HydrophobicContact CB-CG 3.96Å
173K97.5Very high97.9Very high90 Ų9042.4 Ų42.439%0.39123%0.225SC..  trans-125.1129.4-172.3-74.7-174.1-178.4-168.60110.6N177 K178 T179K173-N177 HydrophobicContact CD-CB 4.08Å; K173-K178 VanDerWaalsContact CA-O 3.31Å; K173-K178 WeakPolarHBondContact CA-O 3.5Å; K173-T179 HydrophobicContact CG-CG2 3.9Å
174E96.4Very high97.9Very high15 Ų1542.4 Ų42.47%0.0723%0.225CC..  trans-74.9177.2170.36282.9-174.700111.7Q133 E134 M138 D176 N177 K178 M183Q133-E174 WeakPolarHBondContact O-CA 3.31Å; E134-E174 HydrophobicContact CG-CB 3.93Å; M138-E174 HydrophobicContact SD-CB 3.97Å; M138-E174 HydrophobicContact SD-CG 4.35Å; E174-D176 VanDerWaalsContact C-N 3.27Å; E174-D176 PolarHBondContact O-N 2.89Å; E174-D176 VanDerWaalsContact O-N 3.14Å; E174-D176 WeakPolarHBondContact OE1-CB 3.49Å; E174-D176 PolarHBondContact OE2-N 3.41Å; E174-N177 WeakPolarHBondContact O-CA 3.24Å; E174-N177 PolarHBondContact O-N 2.96Å; E174-K178 HydrophobicContact CG-CB 3.91Å; E174-K178 PolarHBondContact N-O 3.3Å; E174-K178 WeakPolarHBondContact OE1-CB 3.32Å; E174-K178 VanDerWaalsContact OE1-CD 3.23Å; E174-K178 WeakPolarHBondContact OE1-CD 3.32Å; E174-K178 WeakPolarHBondContact OE1-CG 3.5Å; E174-K178 IonicContact OE1-NZ 3.88Å; E174-K178 PolarHBondContact OE1-NZ 2.88Å; E174-M183 HydrophobicContact CG-CE 3.96Å
175G94.1Very high97.9Very high52 Ų5241.4 Ų41.454%0.53622%0.22SC..THydrogen-bonded Turntrans-47.8-38-176.700000116.1L132 N177L132-G175 PolarHBondContact O-N 3.22Å; G175-N177 VanDerWaalsContact C-N 3.27Å; G175-N177 PolarHBondContact O-N 3.2Å
176D96.8Very high97.8Very high68 Ų6841.8 Ų41.836%0.36421%0.214SC..THydrogen-bonded Turntrans-88.117.4175.1-65.8-24.4000113.3E174 K178 D207 I208E174-D176 VanDerWaalsContact C-N 3.27Å; E174-D176 PolarHBondContact O-N 2.89Å; E174-D176 VanDerWaalsContact O-N 3.14Å; E174-D176 WeakPolarHBondContact OE1-CB 3.49Å; E174-D176 PolarHBondContact OE2-N 3.41Å; D176-K178 HydrophobicContact CB-CG 4.3Å; D176-K178 VanDerWaalsContact CB-NZ 3.32Å; D176-K178 PolarHBondContact O-N 3.39Å; D176-K178 IonicContact OD2-NZ 3.2Å; D176-K178 PolarHBondContact OD2-NZ 3.37Å; D176-D207 CarbonylContact O-C 3.57Å; D176-D207 WeakPolarHBondContact O-CA 3.45Å; D176-D207 WeakPolarHBondContact O-CB 3.15Å; D176-I208 HydrophobicContact CB-CD1 3.97Å; D176-I208 HydrophobicContact CB-CG1 3.99Å; D176-I208 WeakPolarHBondContact O-CG2 3.47Å; D176-I208 PolarHBondContact O-N 3.13Å; D176-I208 WeakPolarHBondContact OD1-CD1 3.17Å
177N97.6Very high97.6Very high68 Ų6838.1 Ų38.136%0.36420%0.198SC..SBendtrans62.516.2-175.9-73.6-42000115.7K173 E174 G175 I208K173-N177 HydrophobicContact CD-CB 4.08Å; E174-N177 WeakPolarHBondContact O-CA 3.24Å; E174-N177 PolarHBondContact O-N 2.96Å; G175-N177 VanDerWaalsContact C-N 3.27Å; G175-N177 PolarHBondContact O-N 3.2Å; N177-I208 HydrophobicContact CB-CG2 4.24Å
178K98.4Very high97.6Very high35 Ų3530.1 Ų30.115%0.15216%0.16CC..  trans-78.5149.4175.7-53.8-177.4-152.791.90110.9K173 E174 D176 H182 M183 D207 Y216K173-K178 VanDerWaalsContact CA-O 3.31Å; K173-K178 WeakPolarHBondContact CA-O 3.5Å; E174-K178 HydrophobicContact CG-CB 3.91Å; E174-K178 PolarHBondContact N-O 3.3Å; E174-K178 WeakPolarHBondContact OE1-CB 3.32Å; E174-K178 VanDerWaalsContact OE1-CD 3.23Å; E174-K178 WeakPolarHBondContact OE1-CD 3.32Å; E174-K178 WeakPolarHBondContact OE1-CG 3.5Å; E174-K178 IonicContact OE1-NZ 3.88Å; E174-K178 PolarHBondContact OE1-NZ 2.88Å; D176-K178 HydrophobicContact CB-CG 4.3Å; D176-K178 VanDerWaalsContact CB-NZ 3.32Å; D176-K178 PolarHBondContact O-N 3.39Å; D176-K178 IonicContact OD2-NZ 3.2Å; D176-K178 PolarHBondContact OD2-NZ 3.37Å; K178-H182 HydrophobicContact CB-CB 3.86Å; K178-H182 HydrophobicContact CG-CB 4.4Å; K178-M183 HydrophobicContact CB-CE 3.61Å; K178-M183 HydrophobicContact CD-CE 3.95Å; K178-M183 HydrophobicContact CG-CE 4.41Å; K178-D207 HydrophobicContact CG-CB 3.87Å; K178-Y216 HydrophobicContact CD-CE1 4.23Å; K178-Y216 VanDerWaalsContact CD-OH 3.3Å; K178-Y216 WeakPolarHBondContact CD-OH 3.39Å; K178-Y216 WeakPolarHBondContact CE-OH 3.24Å
179T98.5Very high97.5Very high0 Ų029.8 Ų29.80%016%0.158CC..  trans-109.3172.6177.965.60000110.5K173 L181 H182 M183 A205K173-T179 HydrophobicContact CG-CG2 3.9Å; T179-L181 PolarHBondContact O-N 3.35Å; T179-L181 VanDerWaalsContact O-N 3.16Å; T179-L181 PolarHBondContact OG1-N 2.88Å; T179-H182 PolarHBondContact N-ND1 3.07Å; T179-H182 WeakPolarHBondContact O-CB 3.37Å; T179-H182 PolarHBondContact O-N 3.5Å; T179-H182 PolarHBondContact OG1-ND1 3.36Å; T179-M183 PolarHBondContact O-N 3.47Å; T179-A205 HydrophobicContact CG2-CB 3.89Å
180A98.5Very high97.4Very high1 Ų128.9 Ų28.91%0.00815%0.151CC..Hα-helixtrans-55.4-33.9173.200000112.4L137 M138 H182 M183 A184 L196L137-A180 HydrophobicContact CD2-CB 4Å; L137-A180 HydrophobicContact CG-CB 3.95Å; M138-A180 HydrophobicContact CG-CB 4.22Å; A180-H182 VanDerWaalsContact C-N 3.31Å; A180-H182 PolarHBondContact O-N 3.29Å; A180-M183 PolarHBondContact O-N 3.48Å; A180-A184 PolarHBondContact O-N 3.01Å; A180-A184 VanDerWaalsContact O-N 3.07Å; A180-L196 HydrophobicContact CB-CD1 4.14Å; A180-L196 HydrophobicContact CB-CD2 3.83Å
181L98.7Very high97.3Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-67.6-28.7177.1-173.560.5000113T179 A185 M193 L196 L197 A201 V203 P213 L236T179-L181 PolarHBondContact O-N 3.35Å; T179-L181 VanDerWaalsContact O-N 3.16Å; T179-L181 PolarHBondContact OG1-N 2.88Å; L181-A185 WeakPolarHBondContact O-CB 3.4Å; L181-A185 PolarHBondContact O-N 3.39Å; L181-M193 HydrophobicContact CD1-CB 4.24Å; L181-M193 HydrophobicContact CD1-CG 4.13Å; L181-L196 HydrophobicContact CB-CD1 4.45Å; L181-L196 HydrophobicContact CD1-CB 4.3Å; L181-L196 HydrophobicContact CD1-CD1 4.39Å; L181-L197 HydrophobicContact CD1-CD2 4.41Å; L181-L197 HydrophobicContact CD1-CG 4.26Å; L181-L197 HydrophobicContact CD2-CD2 3.79Å; L181-A201 HydrophobicContact CB-CB 4.15Å; L181-A201 HydrophobicContact CD2-CB 4.01Å; L181-V203 HydrophobicContact CD2-CB 4.31Å; L181-V203 HydrophobicContact CD2-CG2 4.35Å; L181-P213 HydrophobicContact CB-CG 4.27Å; L181-P213 HydrophobicContact CD2-CB 4.23Å; L181-P213 HydrophobicContact CD2-CG 3.84Å; L181-P213 HydrophobicContact CG-CB 3.93Å; L181-P213 HydrophobicContact CG-CG 3.77Å; L181-L236 HydrophobicContact CD2-CD2 4.39Å
182H98.6Very high97.3Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-68.1-39.4172.3-69.883.3000111.5K178 T179 A180 A185 W186 A205 C211 Y216K178-H182 HydrophobicContact CB-CB 3.86Å; K178-H182 HydrophobicContact CG-CB 4.4Å; T179-H182 PolarHBondContact N-ND1 3.07Å; T179-H182 WeakPolarHBondContact O-CB 3.37Å; T179-H182 PolarHBondContact O-N 3.5Å; T179-H182 PolarHBondContact OG1-ND1 3.36Å; A180-H182 VanDerWaalsContact C-N 3.31Å; A180-H182 PolarHBondContact O-N 3.29Å; H182-A185 PolarHBondContact O-N 3Å; H182-W186 WeakPolarHBondContact O-CB 3.3Å; H182-W186 PolarHBondContact O-N 3.27Å; H182-A205 PolarHBondContact CE1-O 3Å; H182-A205 VanDerWaalsContact CE1-O 3.3Å; H182-A205 PolarHBondContact NE2-O 2.96Å; H182-C211 PolarHBondContact NE2-O 3.46Å; H182-Y216 AromaticContact CD2-CD2 3.79Å; H182-Y216 AromaticContact CD2-CE2 3.55Å
183M97.9Very high97.3Very high14 Ų1426.2 Ų26.27%0.06914%0.139CC..Hα-helixtrans-64.5-47.1176.7-53.4-51.2160.600110.9A141 F142 E174 K178 T179 A180 A185 W186 N187A141-M183 HydrophobicContact CB-CB 3.92Å; F142-M183 HydrophobicContact CB-CB 4.38Å; F142-M183 HydrophobicContact CB-CG 4.41Å; F142-M183 HydrophobicContact CD2-SD 4.14Å; E174-M183 HydrophobicContact CG-CE 3.96Å; K178-M183 HydrophobicContact CB-CE 3.61Å; K178-M183 HydrophobicContact CD-CE 3.95Å; K178-M183 HydrophobicContact CG-CE 4.41Å; T179-M183 PolarHBondContact O-N 3.47Å; A180-M183 PolarHBondContact O-N 3.48Å; M183-A185 VanDerWaalsContact C-N 3.32Å; M183-A185 PolarHBondContact O-N 2.58Å; M183-W186 WeakPolarHBondContact O-CB 3.43Å; M183-W186 PolarHBondContact O-N 3.16Å; M183-N187 PolarHBondContact O-N 3.1Å; M183-N187 VanDerWaalsContact O-N 3.08Å
184A97.9Very high97.3Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-60.7-40.8175.300000112.3A180 N187 C188 D189 L192 M193 L196A180-A184 PolarHBondContact O-N 3.01Å; A180-A184 VanDerWaalsContact O-N 3.07Å; A184-N187 CarbonylContact O-C 3.59Å; A184-N187 PolarHBondContact O-N 3.07Å; A184-C188 PolarHBondContact O-N 3.49Å; A184-D189 PolarHBondContact O-N 3.18Å; A184-D189 VanDerWaalsContact O-N 3.12Å; A184-L192 HydrophobicContact CB-CB 4.18Å; A184-L192 HydrophobicContact CB-CD2 3.75Å; A184-L192 HydrophobicContact CB-CG 3.72Å; A184-M193 HydrophobicContact CB-CG 3.71Å; A184-L196 HydrophobicContact CB-CD1 3.72Å
185A97.8Very high97.4Very high0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-67.6-35.7176.400000113.4L181 H182 M183 N187 C188 P213 V217L181-A185 WeakPolarHBondContact O-CB 3.4Å; L181-A185 PolarHBondContact O-N 3.39Å; H182-A185 PolarHBondContact O-N 3Å; M183-A185 VanDerWaalsContact C-N 3.32Å; M183-A185 PolarHBondContact O-N 2.58Å; A185-N187 VanDerWaalsContact C-N 3.26Å; A185-N187 PolarHBondContact O-N 3.47Å; A185-C188 PolarHBondContact O-N 3.39Å; A185-C188 VanDerWaalsContact O-N 3.13Å; A185-P213 HydrophobicContact CB-CB 3.92Å; A185-P213 WeakPolarHBondContact CB-O 3.2Å; A185-V217 HydrophobicContact CB-CG2 3.81Å
186W96.5Very high97.6Very high102 Ų10223.7 Ų23.739%0.38612%0.115SC..Hα-helixtrans-64.4-33.3172.5-177.4-105.6000112.5H182 M183 C188 Y216 V220H182-W186 WeakPolarHBondContact O-CB 3.3Å; H182-W186 PolarHBondContact O-N 3.27Å; M183-W186 WeakPolarHBondContact O-CB 3.43Å; M183-W186 PolarHBondContact O-N 3.16Å; W186-C188 VanDerWaalsContact C-N 3.28Å; W186-Y216 HydrophobicContact CB-CD1 4.04Å; W186-Y216 HydrophobicContact CD2-CD1 4.4Å; W186-Y216 AromaticContact CE3-CD1 3.7Å; W186-Y216 HydrophobicContact CE3-CD1 3.7Å; W186-Y216 HydrophobicContact CE3-CE1 4.18Å; W186-V220 HydrophobicContact CD2-CG1 3.99Å; W186-V220 HydrophobicContact CE3-CG1 3.6Å; W186-V220 HydrophobicContact CH2-CG1 4.42Å; W186-V220 HydrophobicContact CZ3-CG1 3.86Å; W186-V220 WeakPolarHBondContact O-CG1 3.3Å
187N95.4Very high97.6Very high5 Ų520.7 Ų20.73%0.02710%0.099CC..Hα-helixtrans-80.2-12.6174.8-70.8-13.1000112.4A141 F142 F145 Y152 M183 A184 A185 D189A141-N187 PolarHBondContact O-ND2 3.26Å; F142-N187 PolarHBondContact O-ND2 2.88Å; F145-N187 HydrophobicContact CB-CB 3.87Å; F145-N187 VanDerWaalsContact CB-CG 3.46Å; F145-N187 HydrophobicContact CG-CB 4.49Å; Y152-N187 WeakPolarHBondContact CE1-O 3.35Å; Y152-N187 PolarHBondContact OH-O 2.98Å; M183-N187 PolarHBondContact O-N 3.1Å; M183-N187 VanDerWaalsContact O-N 3.08Å; A184-N187 CarbonylContact O-C 3.59Å; A184-N187 PolarHBondContact O-N 3.07Å; A185-N187 VanDerWaalsContact C-N 3.26Å; A185-N187 PolarHBondContact O-N 3.47Å; N187-D189 HydrophobicContact CB-CB 4.18Å; N187-D189 PolarHBondContact O-N 3.12Å
188C96.2Very high97.6Very high0 Ų021 Ų210%010%0.098CC..THydrogen-bonded Turntrans55.237.6-172.6-152.70000112.3Y152 A184 A185 W186 H190 V220 R224 A227 C232Y152-C188 PolarHBondContact OH-O 3.38Å; A184-C188 PolarHBondContact O-N 3.49Å; A185-C188 PolarHBondContact O-N 3.39Å; A185-C188 VanDerWaalsContact O-N 3.13Å; W186-C188 VanDerWaalsContact C-N 3.28Å; C188-H190 PolarHBondContact O-N 2.9Å; C188-V220 HydrophobicContact CB-CG2 3.88Å; C188-R224 HydrophobicContact CB-CB 4.28Å; C188-R224 HydrophobicContact CB-CG 4.15Å; C188-A227 HydrophobicContact CB-CB 3.6Å; C188-A227 VanDerWaalsContact SG-CB 3.56Å; C188-C232 PolarHBondContact O-SG 2.86Å
189D96.4Very high97.5Very high0 Ų021.7 Ų21.70%011%0.11CC..  trans-94.991.1-173.4-173-21000110.7Y152 H157 A184 N187 V191 L192 M193Y152-D189 HydrophobicContact CD1-CB 4.03Å; Y152-D189 WeakPolarHBondContact CD1-OD2 3.46Å; Y152-D189 HydrophobicContact CE1-CB 3.75Å; H157-D189 IonicContact CD2-OD2 2.71Å; H157-D189 IonicContact CE1-OD1 3.72Å; H157-D189 IonicContact CE1-OD2 2.78Å; H157-D189 IonicContact NE2-OD1 3.85Å; H157-D189 PolarHBondContact NE2-OD1 2.9Å; H157-D189 IonicContact NE2-OD2 3.31Å; H157-D189 PolarHBondContact NE2-OD2 3.48Å; A184-D189 PolarHBondContact O-N 3.18Å; A184-D189 VanDerWaalsContact O-N 3.12Å; N187-D189 HydrophobicContact CB-CB 4.18Å; N187-D189 PolarHBondContact O-N 3.12Å; D189-V191 PolarHBondContact O-N 3.36Å; D189-V191 PolarHBondContact OD1-N 3.06Å; D189-L192 HydrophobicContact CB-CB 4.1Å; D189-L192 PolarHBondContact O-N 3.26Å; D189-L192 PolarHBondContact OD1-N 3.02Å; D189-M193 WeakPolarHBondContact O-CB 3.4Å; D189-M193 WeakPolarHBondContact O-CG 3.4Å; D189-M193 PolarHBondContact O-N 3.31Å
190H96.4Very high97.4Very high41 Ų4123.8 Ų23.819%0.1913%0.132CC..Hα-helixtrans-59.2-32.2-178.263.7-78.3000113.3C188 Q194 V231 L235C188-H190 PolarHBondContact O-N 2.9Å; H190-Q194 VanDerWaalsContact O-CB 3.32Å; H190-Q194 WeakPolarHBondContact O-CB 3.49Å; H190-Q194 PolarHBondContact O-N 3.29Å; H190-V231 HydrophobicContact CB-CB 4.17Å; H190-V231 HydrophobicContact CB-CG1 3.79Å; H190-L235 HydrophobicContact CB-CD1 4.22Å; H190-L235 WeakPolarHBondContact O-CD1 3.37Å
191V97.1Very high97.4Very high59 Ų5924.2 Ų24.236%0.35814%0.135SC..Hα-helixtrans-67.3-50.6179.6-179.60000109.6D189 Q194 M195D189-V191 PolarHBondContact O-N 3.36Å; D189-V191 PolarHBondContact OD1-N 3.06Å; V191-Q194 PolarHBondContact O-N 2.94Å; V191-M195 HydrophobicContact CG1-CE 4.33Å; V191-M195 WeakPolarHBondContact O-CG 3.42Å; V191-M195 PolarHBondContact O-N 3.38Å; V191-M195 VanDerWaalsContact O-N 3.08Å
192L97.9Very high97.3Very high0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-66.7-40.1178.2-178.558000112.3A141 A144 C160 A184 D189 Q194 M195 L196A141-L192 HydrophobicContact CB-CD2 3.72Å; A144-L192 HydrophobicContact CB-CD2 4.2Å; C160-L192 HydrophobicContact CB-CD1 3.56Å; A184-L192 HydrophobicContact CB-CB 4.18Å; A184-L192 HydrophobicContact CB-CD2 3.75Å; A184-L192 HydrophobicContact CB-CG 3.72Å; D189-L192 HydrophobicContact CB-CB 4.1Å; D189-L192 PolarHBondContact O-N 3.26Å; D189-L192 PolarHBondContact OD1-N 3.02Å; L192-Q194 VanDerWaalsContact C-N 3.32Å; L192-Q194 PolarHBondContact O-N 3.38Å; L192-M195 HydrophobicContact CB-CE 4.3Å; L192-M195 HydrophobicContact CD1-CE 3.74Å; L192-M195 PolarHBondContact O-N 2.99Å; L192-L196 HydrophobicContact CD1-CD1 4.23Å; L192-L196 HydrophobicContact CD1-CG 4.24Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.3Å
193M98.3Very high97.3Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-59.2-44.3174.5-71.2171.667.400111.4L181 A184 D189 L196 L197 V217 C232 L236L181-M193 HydrophobicContact CD1-CB 4.24Å; L181-M193 HydrophobicContact CD1-CG 4.13Å; A184-M193 HydrophobicContact CB-CG 3.71Å; D189-M193 WeakPolarHBondContact O-CB 3.4Å; D189-M193 WeakPolarHBondContact O-CG 3.4Å; D189-M193 PolarHBondContact O-N 3.31Å; M193-L196 PolarHBondContact O-N 3.08Å; M193-L197 WeakPolarHBondContact O-CB 3.33Å; M193-L197 WeakPolarHBondContact O-CD1 3.33Å; M193-L197 WeakPolarHBondContact O-CG 3.41Å; M193-L197 PolarHBondContact O-N 3.45Å; M193-V217 HydrophobicContact CE-CG2 3.99Å; M193-V217 HydrophobicContact SD-CG2 4.34Å; M193-C232 HydrophobicContact CE-CB 4.01Å; M193-C232 HydrophobicContact SD-CB 3.93Å; M193-L236 HydrophobicContact CE-CD1 3.5Å; M193-L236 HydrophobicContact CE-CD2 3.6Å; M193-L236 HydrophobicContact CE-CG 3.38Å
194Q97.6Very high97.2Very high80 Ų8033 Ų3337%0.37417%0.174SC..Hα-helixtrans-60-48.7176.5-179.7175.8-1000111.3H190 V191 L192 L196 L197 E198 L235H190-Q194 VanDerWaalsContact O-CB 3.32Å; H190-Q194 WeakPolarHBondContact O-CB 3.49Å; H190-Q194 PolarHBondContact O-N 3.29Å; V191-Q194 PolarHBondContact O-N 2.94Å; L192-Q194 VanDerWaalsContact C-N 3.32Å; L192-Q194 PolarHBondContact O-N 3.38Å; Q194-L196 VanDerWaalsContact C-N 3.32Å; Q194-L196 PolarHBondContact O-N 2.93Å; Q194-L197 PolarHBondContact O-N 3.33Å; Q194-E198 HydrophobicContact CG-CG 4.37Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.33Å; Q194-E198 PolarHBondContact NE2-OE1 3.3Å; Q194-E198 WeakPolarHBondContact O-CB 3.43Å; Q194-E198 WeakPolarHBondContact O-CG 3.23Å; Q194-E198 PolarHBondContact O-N 3.22Å; Q194-L235 HydrophobicContact CB-CD1 4Å; Q194-L235 HydrophobicContact CB-CD2 4.38Å; Q194-L235 HydrophobicContact CG-CD2 4.43Å
195M98.1Very high97.2Very high25 Ų2533.2 Ų33.212%0.12318%0.176CC..Hα-helixtrans-57.3-44.7178.2-70.4-170.5-68.200112.2H157 R161 L164 V191 L192 E198 A199H157-M195 HydrophobicContact CB-CE 4.01Å; R161-M195 HydrophobicContact CB-SD 4.07Å; L164-M195 HydrophobicContact CD1-CB 4.3Å; V191-M195 HydrophobicContact CG1-CE 4.33Å; V191-M195 WeakPolarHBondContact O-CG 3.42Å; V191-M195 PolarHBondContact O-N 3.38Å; V191-M195 VanDerWaalsContact O-N 3.08Å; L192-M195 HydrophobicContact CB-CE 4.3Å; L192-M195 HydrophobicContact CD1-CE 3.74Å; L192-M195 PolarHBondContact O-N 2.99Å; M195-E198 PolarHBondContact O-N 2.94Å; M195-A199 WeakPolarHBondContact O-CB 3.46Å; M195-A199 PolarHBondContact O-N 3.25Å; M195-A199 VanDerWaalsContact O-N 3.08Å
196L98.6Very high97.2Very high0 Ų038.5 Ų38.50%020%0.202CC..Hα-helixtrans-66.4-42.8179.4-70.5169.4000112.3L137 L164 P170 A180 L181 A184 L192 M193 Q194 A199 G200 A201L137-L196 HydrophobicContact CD1-CD2 4.29Å; L137-L196 HydrophobicContact CD2-CD2 4Å; L137-L196 HydrophobicContact CG-CD2 4.38Å; L164-L196 HydrophobicContact CD1-CD2 4.2Å; L164-L196 HydrophobicContact CD2-CD2 4.28Å; P170-L196 HydrophobicContact CB-CD2 3.98Å; A180-L196 HydrophobicContact CB-CD1 4.14Å; A180-L196 HydrophobicContact CB-CD2 3.83Å; L181-L196 HydrophobicContact CB-CD1 4.45Å; L181-L196 HydrophobicContact CD1-CB 4.3Å; L181-L196 HydrophobicContact CD1-CD1 4.39Å; A184-L196 HydrophobicContact CB-CD1 3.72Å; L192-L196 HydrophobicContact CD1-CD1 4.23Å; L192-L196 HydrophobicContact CD1-CG 4.24Å; L192-L196 HydrophobicContact CG-CD1 4.04Å; L192-L196 VanDerWaalsContact O-CG 3.32Å; L192-L196 WeakPolarHBondContact O-CG 3.35Å; L192-L196 PolarHBondContact O-N 3.3Å; M193-L196 PolarHBondContact O-N 3.08Å; Q194-L196 VanDerWaalsContact C-N 3.32Å; Q194-L196 PolarHBondContact O-N 2.93Å; L196-A199 CarbonylContact O-C 3.57Å; L196-A199 PolarHBondContact O-N 3.13Å; L196-G200 PolarHBondContact O-N 2.77Å; L196-A201 HydrophobicContact CB-CB 4.01Å; L196-A201 WeakPolarHBondContact O-CB 3.17Å; L196-A201 PolarHBondContact O-N 3.5Å
197L97.8Very high97.2Very high4 Ų434 Ų342%0.02119%0.185CC..Hα-helixtrans-65.4-39.8177.7-70.4168.4000111.6L181 M193 Q194 A199 G200 V203 L235 Y239L181-L197 HydrophobicContact CD1-CD2 4.41Å; L181-L197 HydrophobicContact CD1-CG 4.26Å; L181-L197 HydrophobicContact CD2-CD2 3.79Å; M193-L197 WeakPolarHBondContact O-CB 3.33Å; M193-L197 WeakPolarHBondContact O-CD1 3.33Å; M193-L197 WeakPolarHBondContact O-CG 3.41Å; M193-L197 PolarHBondContact O-N 3.45Å; Q194-L197 PolarHBondContact O-N 3.33Å; L197-A199 PolarHBondContact O-N 2.88Å; L197-G200 PolarHBondContact O-N 2.89Å; L197-V203 HydrophobicContact CD2-CB 4.05Å; L197-V203 HydrophobicContact CD2-CG2 4.16Å; L197-L235 HydrophobicContact CD1-CB 4.03Å; L197-Y239 HydrophobicContact CB-CD1 3.93Å; L197-Y239 HydrophobicContact CB-CD2 3.92Å; L197-Y239 HydrophobicContact CB-CE1 3.8Å; L197-Y239 HydrophobicContact CB-CE2 3.78Å; L197-Y239 HydrophobicContact CB-CG 3.98Å; L197-Y239 HydrophobicContact CD1-CD2 3.71Å; L197-Y239 HydrophobicContact CD1-CE2 4.11Å; L197-Y239 HydrophobicContact CD1-CG 4.12Å; L197-Y239 HydrophobicContact CD2-CD1 4.21Å; L197-Y239 HydrophobicContact CD2-CD2 4.34Å; L197-Y239 HydrophobicContact CD2-CG 3.89Å; L197-Y239 HydrophobicContact CG-CD2 4.21Å; L197-Y239 HydrophobicContact CG-CE2 4.49Å; L197-Y239 HydrophobicContact CG-CG 4.21Å; L197-Y239 WeakPolarHBondContact O-CE1 3.41Å
198E96Very high97.3Very high76 Ų7638.3 Ų38.336%0.35521%0.207SC..Hα-helixtrans-63.5-32174.1-75.6175.1-175.700112.8Q194 M195 G200 R327Q194-E198 HydrophobicContact CG-CG 4.37Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.33Å; Q194-E198 PolarHBondContact NE2-OE1 3.3Å; Q194-E198 WeakPolarHBondContact O-CB 3.43Å; Q194-E198 WeakPolarHBondContact O-CG 3.23Å; Q194-E198 PolarHBondContact O-N 3.22Å; M195-E198 PolarHBondContact O-N 2.94Å; E198-G200 VanDerWaalsContact C-N 3.25Å; E198-G200 PolarHBondContact O-N 3.06Å; E198-R327 PolarHBondContact O-NH2 2.9Å
199A97.3Very high97.3Very high48 Ų4843.9 Ų43.940%0.39724%0.237SC..THydrogen-bonded Turntrans-80.82.2173.200000114L164 M195 L196 L197L164-A199 HydrophobicContact CB-CB 4.49Å; L164-A199 HydrophobicContact CD1-CB 4.05Å; L164-A199 HydrophobicContact CD2-CB 3.71Å; L164-A199 HydrophobicContact CG-CB 4.29Å; M195-A199 WeakPolarHBondContact O-CB 3.46Å; M195-A199 PolarHBondContact O-N 3.25Å; M195-A199 VanDerWaalsContact O-N 3.08Å; L196-A199 CarbonylContact O-C 3.57Å; L196-A199 PolarHBondContact O-N 3.13Å; L197-A199 PolarHBondContact O-N 2.88Å
200G96.7Very high97.2Very high45 Ų4545.7 Ų45.746%0.46426%0.256SS..THydrogen-bonded Turntrans88.927.1174.700000115N171 L196 L197 E198 D202N171-G200 PolarHBondContact ND2-O 3.3Å; L196-G200 PolarHBondContact O-N 2.77Å; L197-G200 PolarHBondContact O-N 2.89Å; E198-G200 VanDerWaalsContact C-N 3.25Å; E198-G200 PolarHBondContact O-N 3.06Å; G200-D202 PolarHBondContact O-N 3.15Å
201A98.2Very high97.1Very high9 Ų944.7 Ų44.77%0.07425%0.253CS..  trans-60.5133.5170.900000112P170 N171 L181 L196 V203P170-A201 HydrophobicContact CB-CB 3.97Å; P170-A201 HydrophobicContact CG-CB 4.16Å; N171-A201 WeakPolarHBondContact OD1-CA 3.23Å; L181-A201 HydrophobicContact CB-CB 4.15Å; L181-A201 HydrophobicContact CD2-CB 4.01Å; L196-A201 HydrophobicContact CB-CB 4.01Å; L196-A201 WeakPolarHBondContact O-CB 3.17Å; L196-A201 PolarHBondContact O-N 3.5Å; A201-V203 PolarHBondContact O-N 3.24Å; A201-V203 VanDerWaalsContact O-N 3.13Å
202D97.3Very high97.1Very high78 Ų7842 Ų4242%0.41724%0.237SC..  trans-74.5102.4176.9179.412.1000109.8N171 G200 R204 A205N171-D202 WeakPolarHBondContact OD1-CB 3.3Å; N171-D202 PolarHBondContact OD1-N 3.35Å; G200-D202 PolarHBondContact O-N 3.15Å; D202-R204 PolarHBondContact O-N 3.37Å; D202-R204 WeakPolarHBondContact OD1-CA 3.37Å; D202-R204 PolarHBondContact OD1-N 3.49Å; D202-A205 HydrophobicContact CB-CB 4.24Å; D202-A205 WeakPolarHBondContact O-CB 3.45Å; D202-A205 PolarHBondContact O-N 2.9Å; D202-A205 PolarHBondContact OD1-N 3.09Å; D202-A205 PolarHBondContact OD2-N 3.34Å
203V97.2Very high97.1Very high7 Ų742 Ų424%0.04224%0.237CC..THydrogen-bonded Turntrans-65.5-15.2178.375.50000113.8L181 L197 A201 L236 Y239 A241L181-V203 HydrophobicContact CD2-CB 4.31Å; L181-V203 HydrophobicContact CD2-CG2 4.35Å; L197-V203 HydrophobicContact CD2-CB 4.05Å; L197-V203 HydrophobicContact CD2-CG2 4.16Å; A201-V203 PolarHBondContact O-N 3.24Å; A201-V203 VanDerWaalsContact O-N 3.13Å; V203-L236 HydrophobicContact CG2-CB 4.15Å; V203-L236 HydrophobicContact CG2-CD2 3.41Å; V203-L236 VanDerWaalsContact CG2-CD2 3.41Å; V203-L236 HydrophobicContact CG2-CG 4.39Å; V203-Y239 VanDerWaalsContact CG1-O 3.23Å; V203-Y239 WeakPolarHBondContact CG1-O 3.46Å; V203-A241 HydrophobicContact CG1-CB 4.45Å; V203-A241 HydrophobicContact CG2-CB 3.67Å
204R96.8Very high97.1Very high114 Ų11442 Ų4243%0.4324%0.237SC..THydrogen-bonded Turntrans-105.43-179.3-51.7-174.776.898-3.5112.5D202 M206 N240 A241D202-R204 PolarHBondContact O-N 3.37Å; D202-R204 WeakPolarHBondContact OD1-CA 3.37Å; D202-R204 PolarHBondContact OD1-N 3.49Å; R204-M206 PolarHBondContact O-N 3.47Å; R204-N240 PolarHBondContact NH1-O 2.67Å; R204-A241 PolarHBondContact NH1-O 2.8Å
205A97.3Very high97Very high4 Ų440.7 Ų40.73%0.03323%0.231CC..  trans-55.2136.2173.300000109.8T179 H182 D202 A212 P213T179-A205 HydrophobicContact CG2-CB 3.89Å; H182-A205 PolarHBondContact CE1-O 3Å; H182-A205 VanDerWaalsContact CE1-O 3.3Å; H182-A205 PolarHBondContact NE2-O 2.96Å; D202-A205 HydrophobicContact CB-CB 4.24Å; D202-A205 WeakPolarHBondContact O-CB 3.45Å; D202-A205 PolarHBondContact O-N 2.9Å; D202-A205 PolarHBondContact OD1-N 3.09Å; D202-A205 PolarHBondContact OD2-N 3.34Å; A205-A212 VanDerWaalsContact O-CA 3.3Å; A205-A212 WeakPolarHBondContact O-CA 3.36Å; A205-A212 WeakPolarHBondContact O-CB 3.37Å; A205-P213 WeakPolarHBondContact O-CD 3.36Å
206M97Very high96.9Very high111 Ų11140.2 Ų40.255%0.54723%0.228SC..  trans-114.8138.8178.4-65.9-176.3-68.300110.1R204 A212R204-M206 PolarHBondContact O-N 3.47Å; M206-A212 HydrophobicContact CG-CB 4.48Å
207D97.2Very high96.8Very high7 Ų740.2 Ų40.24%0.03723%0.228CC..  trans-72.9179.8167.675.71.8000111.8D176 K178 N209 G210 C211 Y216D176-D207 CarbonylContact O-C 3.57Å; D176-D207 WeakPolarHBondContact O-CA 3.45Å; D176-D207 WeakPolarHBondContact O-CB 3.15Å; K178-D207 HydrophobicContact CG-CB 3.87Å; D207-N209 PolarHBondContact O-N 3.02Å; D207-N209 VanDerWaalsContact O-N 3.12Å; D207-N209 VanDerWaalsContact OD1-C 3.29Å; D207-N209 VanDerWaalsContact OD1-CA 3.27Å; D207-N209 WeakPolarHBondContact OD1-CA 3.25Å; D207-N209 WeakPolarHBondContact OD1-CB 3.17Å; D207-N209 PolarHBondContact OD1-N 3.32Å; D207-G210 PolarHBondContact O-N 3.48Å; D207-G210 PolarHBondContact OD1-N 3.4Å; D207-C211 PolarHBondContact N-O 3.14Å; D207-C211 WeakPolarHBondContact OD1-CB 3.39Å; D207-C211 PolarHBondContact OD1-N 3.23Å; D207-Y216 WeakPolarHBondContact OD2-CE2 3.34Å; D207-Y216 PolarHBondContact OD2-OH 3.2Å
208I97.3Very high96.6Very high96 Ų9641 Ų4149%0.49223%0.232SC..THydrogen-bonded Turntrans-59.3-20.7176.856.9168000114.1D176 N177D176-I208 HydrophobicContact CB-CD1 3.97Å; D176-I208 HydrophobicContact CB-CG1 3.99Å; D176-I208 WeakPolarHBondContact O-CG2 3.47Å; D176-I208 PolarHBondContact O-N 3.13Å; D176-I208 WeakPolarHBondContact OD1-CD1 3.17Å; N177-I208 HydrophobicContact CB-CG2 4.24Å
209N95.9Very high96.5Very high118 Ų11843 Ų4363%0.63124%0.24SC*.THydrogen-bonded Turntrans-94.43.4179.6-58.7-60.6000112.5D207 C211D207-N209 PolarHBondContact O-N 3.02Å; D207-N209 VanDerWaalsContact O-N 3.12Å; D207-N209 VanDerWaalsContact OD1-C 3.29Å; D207-N209 VanDerWaalsContact OD1-CA 3.27Å; D207-N209 WeakPolarHBondContact OD1-CA 3.25Å; D207-N209 WeakPolarHBondContact OD1-CB 3.17Å; D207-N209 PolarHBondContact OD1-N 3.32Å; N209-C211 PolarHBondContact O-N 2.96Å
210G94.9Very high96.3Very high38 Ų3840.9 Ų40.939%0.39222%0.222SC..SBendtrans70.517.7-174.800000113.8D207D207-G210 PolarHBondContact O-N 3.48Å; D207-G210 PolarHBondContact OD1-N 3.4Å
211C95.6Very high96Very high20 Ų2038.8 Ų38.814%0.13520%0.2CC..  trans-88.2127.4173.9-67.10000109.4H182 D207 N209 Q215 Y216 K219H182-C211 PolarHBondContact NE2-O 3.46Å; D207-C211 PolarHBondContact N-O 3.14Å; D207-C211 WeakPolarHBondContact OD1-CB 3.39Å; D207-C211 PolarHBondContact OD1-N 3.23Å; N209-C211 PolarHBondContact O-N 2.96Å; C211-Q215 HydrophobicContact CB-CB 4.19Å; C211-Y216 HydrophobicContact CB-CD2 4.12Å; C211-Y216 HydrophobicContact CB-CE2 3.62Å; C211-K219 PolarHBondContact SG-NZ 3.12Å
212A97.1Very high95.4Very high2 Ų241 Ų412%0.01722%0.224CC..  trans-94.1171169.100000110A205 M206 I214 Q215 Y216A205-A212 VanDerWaalsContact O-CA 3.3Å; A205-A212 WeakPolarHBondContact O-CA 3.36Å; A205-A212 WeakPolarHBondContact O-CB 3.37Å; M206-A212 HydrophobicContact CG-CB 4.48Å; A212-I214 PolarHBondContact O-N 3.08Å; A212-I214 VanDerWaalsContact O-N 3.09Å; A212-Q215 VanDerWaalsContact CB-OE1 3.29Å; A212-Q215 PolarHBondContact O-N 3.03Å; A212-Q215 PolarHBondContact O-OE1 3.26Å; A212-Y216 PolarHBondContact O-N 3.08Å
213P97.8Very high94.9Very high0 Ų041.5 Ų41.50%023%0.229CC..Hα-helixtrans-53.8-34.8-177.2-30.336.9000114.3L181 A185 A205 Q215 Y216 V217 L236L181-P213 HydrophobicContact CB-CG 4.27Å; L181-P213 HydrophobicContact CD2-CB 4.23Å; L181-P213 HydrophobicContact CD2-CG 3.84Å; L181-P213 HydrophobicContact CG-CB 3.93Å; L181-P213 HydrophobicContact CG-CG 3.77Å; A185-P213 HydrophobicContact CB-CB 3.92Å; A185-P213 WeakPolarHBondContact CB-O 3.2Å; A205-P213 WeakPolarHBondContact O-CD 3.36Å; P213-Q215 VanDerWaalsContact C-N 3.3Å; P213-Q215 PolarHBondContact O-N 3.14Å; P213-Y216 WeakPolarHBondContact O-CB 3.46Å; P213-Y216 PolarHBondContact O-N 2.83Å; P213-V217 PolarHBondContact O-N 3.2Å; P213-V217 VanDerWaalsContact O-N 3.14Å; P213-L236 HydrophobicContact CB-CD2 4.12Å
214I96.9Very high94.4Very high0 Ų042.9 Ų42.90%023%0.234CC..Hα-helixtrans-63.3-32.4178-163.5168.4000113.3A212 Y216 L218 F233 L236 L237 A241 A242 L266A212-I214 PolarHBondContact O-N 3.08Å; A212-I214 VanDerWaalsContact O-N 3.09Å; I214-Y216 VanDerWaalsContact C-N 3.33Å; I214-L218 PolarHBondContact O-N 3.3Å; I214-L218 VanDerWaalsContact O-N 3.16Å; I214-F233 HydrophobicContact CD1-CD1 4.03Å; I214-F233 HydrophobicContact CD1-CE1 4.38Å; I214-F233 HydrophobicContact CG1-CD1 3.7Å; I214-F233 HydrophobicContact CG1-CE1 3.69Å; I214-L236 HydrophobicContact CB-CD1 3.83Å; I214-L236 HydrophobicContact CG1-CD1 4.06Å; I214-L237 HydrophobicContact CD1-CD2 4.05Å; I214-L237 HydrophobicContact CD1-CG 4.29Å; I214-A241 HydrophobicContact CB-CB 4.47Å; I214-A241 HydrophobicContact CD1-CB 4.13Å; I214-A242 WeakPolarHBondContact CG2-O 3.48Å; I214-L266 HydrophobicContact CD1-CD2 4.39Å
215Q96Very high93.4Very high52 Ų5241.6 Ų41.624%0.24324%0.24CC..Hα-helixtrans-72.4-27.8173.6-71.988.4-14.700112.1C211 A212 P213 K219C211-Q215 HydrophobicContact CB-CB 4.19Å; A212-Q215 VanDerWaalsContact CB-OE1 3.29Å; A212-Q215 PolarHBondContact O-N 3.03Å; A212-Q215 PolarHBondContact O-OE1 3.26Å; P213-Q215 VanDerWaalsContact C-N 3.3Å; P213-Q215 PolarHBondContact O-N 3.14Å; Q215-K219 WeakPolarHBondContact O-CG 3.23Å; Q215-K219 PolarHBondContact O-N 3.15Å; Q215-K219 VanDerWaalsContact O-N 3.15Å
216Y95.9Very high92.5Very high16 Ų1647 Ų476%0.06327%0.266CS..Hα-helixtrans-67.8-48.1174.3-81.8-110.7000110.4K178 H182 W186 D207 C211 A212 P213 I214 L218 K219 V220K178-Y216 HydrophobicContact CD-CE1 4.23Å; K178-Y216 VanDerWaalsContact CD-OH 3.3Å; K178-Y216 WeakPolarHBondContact CD-OH 3.39Å; K178-Y216 WeakPolarHBondContact CE-OH 3.24Å; H182-Y216 AromaticContact CD2-CD2 3.79Å; H182-Y216 AromaticContact CD2-CE2 3.55Å; W186-Y216 HydrophobicContact CB-CD1 4.04Å; W186-Y216 HydrophobicContact CD2-CD1 4.4Å; W186-Y216 AromaticContact CE3-CD1 3.7Å; W186-Y216 HydrophobicContact CE3-CD1 3.7Å; W186-Y216 HydrophobicContact CE3-CE1 4.18Å; D207-Y216 WeakPolarHBondContact OD2-CE2 3.34Å; D207-Y216 PolarHBondContact OD2-OH 3.2Å; C211-Y216 HydrophobicContact CB-CD2 4.12Å; C211-Y216 HydrophobicContact CB-CE2 3.62Å; A212-Y216 PolarHBondContact O-N 3.08Å; P213-Y216 WeakPolarHBondContact O-CB 3.46Å; P213-Y216 PolarHBondContact O-N 2.83Å; I214-Y216 VanDerWaalsContact C-N 3.33Å; Y216-L218 VanDerWaalsContact C-N 3.26Å; Y216-L218 PolarHBondContact O-N 3.32Å; Y216-K219 PolarHBondContact O-N 3.21Å; Y216-K219 VanDerWaalsContact O-N 3.08Å; Y216-V220 WeakPolarHBondContact O-CG2 3.44Å; Y216-V220 PolarHBondContact O-N 3.22Å
217V96.1Very high92.1Very high0 Ų042.3 Ų42.30%025%0.246CC..Hα-helixtrans-54.6-45.1174.1-176.90000110.7A185 M193 P213 K219 V220 T221 C232 F233 L236A185-V217 HydrophobicContact CB-CG2 3.81Å; M193-V217 HydrophobicContact CE-CG2 3.99Å; M193-V217 HydrophobicContact SD-CG2 4.34Å; P213-V217 PolarHBondContact O-N 3.2Å; P213-V217 VanDerWaalsContact O-N 3.14Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 PolarHBondContact O-N 3.42Å; V217-V220 PolarHBondContact O-N 2.71Å; V217-V220 VanDerWaalsContact O-N 3.16Å; V217-T221 PolarHBondContact O-N 3.4Å; V217-T221 PolarHBondContact O-OG1 3.02Å; V217-C232 HydrophobicContact CG1-CB 3.85Å; V217-C232 HydrophobicContact CG2-CB 4.27Å; V217-F233 HydrophobicContact CB-CE1 4.4Å; V217-F233 HydrophobicContact CB-CE2 4.37Å; V217-F233 HydrophobicContact CB-CZ 4.12Å; V217-F233 HydrophobicContact CG1-CD2 3.88Å; V217-F233 HydrophobicContact CG1-CE1 4.31Å; V217-F233 HydrophobicContact CG1-CE2 3.49Å; V217-F233 VanDerWaalsContact CG1-CE2 3.49Å; V217-F233 HydrophobicContact CG1-CG 4.43Å; V217-F233 HydrophobicContact CG1-CZ 3.74Å; V217-L236 HydrophobicContact CG2-CD1 3.77Å
218L94.6Very high92Very high21 Ų2145.1 Ų45.111%0.1126%0.26CS..Hα-helixtrans-58.9-41.1178.2-173.367.8000113.2I214 Y216 V220 F233 I244 C256I214-L218 PolarHBondContact O-N 3.3Å; I214-L218 VanDerWaalsContact O-N 3.16Å; Y216-L218 VanDerWaalsContact C-N 3.26Å; Y216-L218 PolarHBondContact O-N 3.32Å; L218-V220 VanDerWaalsContact C-N 3.3Å; L218-V220 PolarHBondContact O-N 3.34Å; L218-F233 HydrophobicContact CB-CZ 4.11Å; L218-F233 HydrophobicContact CD1-CZ 4.1Å; L218-I244 HydrophobicContact CD2-CD1 4Å; L218-C256 VanDerWaalsContact CD1-SG 3.52Å
219K93.1Very high91.8Very high118 Ų11840.7 Ų40.751%0.51324%0.238SC..Hα-helixtrans-67.3-30.9178.9-73170.8-175.4175.10112.5C211 Q215 Y216 V217C211-K219 PolarHBondContact SG-NZ 3.12Å; Q215-K219 WeakPolarHBondContact O-CG 3.23Å; Q215-K219 PolarHBondContact O-N 3.15Å; Q215-K219 VanDerWaalsContact O-N 3.15Å; Y216-K219 PolarHBondContact O-N 3.21Å; Y216-K219 VanDerWaalsContact O-N 3.08Å; V217-K219 VanDerWaalsContact C-N 3.33Å; V217-K219 PolarHBondContact O-N 3.42Å
220V92.8Very high91.8Very high2 Ų237.1 Ų37.11%0.01222%0.217CC..Hα-helixtrans-103.3-7.5-171.9-55.90000114.5W186 C188 Y216 V217 L218 G222 V223 R224W186-V220 HydrophobicContact CD2-CG1 3.99Å; W186-V220 HydrophobicContact CE3-CG1 3.6Å; W186-V220 HydrophobicContact CH2-CG1 4.42Å; W186-V220 HydrophobicContact CZ3-CG1 3.86Å; W186-V220 WeakPolarHBondContact O-CG1 3.3Å; C188-V220 HydrophobicContact CB-CG2 3.88Å; Y216-V220 WeakPolarHBondContact O-CG2 3.44Å; Y216-V220 PolarHBondContact O-N 3.22Å; V217-V220 PolarHBondContact O-N 2.71Å; V217-V220 VanDerWaalsContact O-N 3.16Å; L218-V220 VanDerWaalsContact C-N 3.3Å; L218-V220 PolarHBondContact O-N 3.34Å; V220-G222 VanDerWaalsContact C-N 3.28Å; V220-G222 PolarHBondContact O-N 2.96Å; V220-V223 HydrophobicContact CB-CG2 4.08Å; V220-V223 VanDerWaalsContact O-CG2 3.25Å; V220-V223 WeakPolarHBondContact O-CG2 3.47Å; V220-V223 PolarHBondContact O-N 3.24Å; V220-R224 HydrophobicContact CB-CG 4.11Å; V220-R224 HydrophobicContact CG2-CG 4.33Å; V220-R224 PolarHBondContact O-N 2.93Å
221T90.1Very high91.9Very high1 Ų137.2 Ų37.21%0.00621%0.21CC..G310 helixtrans-51.3-44-174.9-63.80000112.7V217 V223 P229 Y259V217-T221 PolarHBondContact O-N 3.4Å; V217-T221 PolarHBondContact O-OG1 3.02Å; T221-V223 PolarHBondContact O-N 3.13Å; T221-P229 HydrophobicContact CG2-CB 3.82Å; T221-P229 HydrophobicContact CG2-CG 4Å; T221-Y259 HydrophobicContact CG2-CD2 3.7Å; T221-Y259 HydrophobicContact CG2-CE2 3.74Å; T221-Y259 HydrophobicContact CG2-CG 4.15Å; T221-Y259 PolarHBondContact O-OH 3.47Å
222G85.7Confident92Very high57 Ų5736.3 Ų36.359%0.58820%0.204SC*.G310 helixtrans-83.2-1.6-178.800000116.2V220V220-G222 VanDerWaalsContact C-N 3.28Å; V220-G222 PolarHBondContact O-N 2.96Å
223V87.2Confident92Very high87 Ų8736.2 Ų36.253%0.52720%0.203SC..G310 helixtrans-121.75.7-174.4-60.90000113.7V220 T221V220-V223 HydrophobicContact CB-CG2 4.08Å; V220-V223 VanDerWaalsContact O-CG2 3.25Å; V220-V223 WeakPolarHBondContact O-CG2 3.47Å; V220-V223 PolarHBondContact O-N 3.24Å; T221-V223 PolarHBondContact O-N 3.13Å
224R86.6Confident92Very high36 Ų3637.5 Ų37.514%0.13621%0.209CC..  trans-121.389.3179.3-62.5-67.8-176.3-117.43.3109.6C188 V220 M226 A227C188-R224 HydrophobicContact CB-CB 4.28Å; C188-R224 HydrophobicContact CB-CG 4.15Å; V220-R224 HydrophobicContact CB-CG 4.11Å; V220-R224 HydrophobicContact CG2-CG 4.33Å; V220-R224 PolarHBondContact O-N 2.93Å; R224-M226 VanDerWaalsContact C-N 3.31Å; R224-M226 PolarHBondContact O-N 2.97Å; R224-A227 HydrophobicContact CB-CB 3.67Å; R224-A227 WeakPolarHBondContact O-CB 3.23Å; R224-A227 PolarHBondContact O-N 3.42Å; R224-A227 VanDerWaalsContact O-N 3.17Å
225P75.6Confident92Very high87 Ų8738 Ų3857%0.56521%0.211SC*.THydrogen-bonded Turntrans-67.5-27.9-171.826.8-34.2000113.9Q150 A227Q150-P225 VanDerWaalsContact OE1-CD 3.25Å; P225-A227 VanDerWaalsContact C-N 3.34Å
226M80.1Confident92.1Very high117 Ų11735.5 Ų35.558%0.57620%0.2SC*.THydrogen-bonded Turntrans-89.60.7177.6-61.7-58.4142.200113.3Q150 Y152 R224Q150-M226 WeakPolarHBondContact O-CG 3.47Å; Y152-M226 HydrophobicContact CE2-CB 4.34Å; R224-M226 VanDerWaalsContact C-N 3.31Å; R224-M226 PolarHBondContact O-N 2.97Å
227A88.4Confident92.1Very high14 Ų1435.1 Ų35.112%0.11620%0.199CC..  trans-78.5152.5177.700000111.5C188 R224 P225 P229C188-A227 HydrophobicContact CB-CB 3.6Å; C188-A227 VanDerWaalsContact SG-CB 3.56Å; R224-A227 HydrophobicContact CB-CB 3.67Å; R224-A227 WeakPolarHBondContact O-CB 3.23Å; R224-A227 PolarHBondContact O-N 3.42Å; R224-A227 VanDerWaalsContact O-N 3.17Å; P225-A227 VanDerWaalsContact C-N 3.34Å; A227-P229 VanDerWaalsContact C-CD 3.43Å; A227-P229 WeakPolarHBondContact O-CD 3.44Å
228I93.6Very high92.1Very high65 Ų6535.2 Ų35.233%0.33320%0.199SC..  trans-112.775.4172.4-49.9-179.4000106.5E230 V231 C232I228-E230 VanDerWaalsContact CG2-CD 3.47Å; I228-E230 HydrophobicContact CG2-CG 3.9Å; I228-E230 WeakPolarHBondContact CG2-OE1 3.19Å; I228-E230 PolarHBondContact O-N 3.44Å; I228-V231 HydrophobicContact CB-CG2 4.36Å; I228-V231 HydrophobicContact CG2-CB 4.14Å; I228-V231 HydrophobicContact CG2-CG2 3.56Å; I228-V231 PolarHBondContact O-N 3.49Å; I228-V231 VanDerWaalsContact O-N 3.09Å; I228-C232 PolarHBondContact O-N 2.95Å
229P94.8Very high92.2Very high4 Ų435.8 Ų35.83%0.02620%0.2CC..Hα-helixtrans-60.5-32.2-168.124.7-34.8000112.6T221 A227 V231 C232 F233 Y259 V262T221-P229 HydrophobicContact CG2-CB 3.82Å; T221-P229 HydrophobicContact CG2-CG 4Å; A227-P229 VanDerWaalsContact C-CD 3.43Å; A227-P229 WeakPolarHBondContact O-CD 3.44Å; P229-V231 VanDerWaalsContact C-N 3.31Å; P229-V231 PolarHBondContact O-N 3.47Å; P229-C232 WeakPolarHBondContact O-CB 3.35Å; P229-C232 PolarHBondContact O-N 3.31Å; P229-C232 VanDerWaalsContact O-N 3.14Å; P229-F233 WeakPolarHBondContact O-CD2 3.29Å; P229-F233 PolarHBondContact O-N 2.87Å; P229-Y259 HydrophobicContact CG-CD1 3.67Å; P229-Y259 HydrophobicContact CG-CE1 3.84Å; P229-Y259 HydrophobicContact CG-CG 4.34Å; P229-V262 HydrophobicContact CB-CG2 3.87Å; P229-V262 HydrophobicContact CG-CG2 3.91Å
230E95.8Very high92.3Very high43 Ų4333.3 Ų33.320%0.20119%0.193CC..Hα-helixtrans-55.5-44.7175.358-86-161.600111.8I228 F233 Q234 Q261 V262 I265I228-E230 VanDerWaalsContact CG2-CD 3.47Å; I228-E230 HydrophobicContact CG2-CG 3.9Å; I228-E230 WeakPolarHBondContact CG2-OE1 3.19Å; I228-E230 PolarHBondContact O-N 3.44Å; E230-F233 PolarHBondContact O-N 3.04Å; E230-Q234 WeakPolarHBondContact O-CB 3.39Å; E230-Q234 PolarHBondContact O-N 3.11Å; E230-Q261 HydrophobicContact CB-CB 4.03Å; E230-Q261 HydrophobicContact CG-CB 4.44Å; E230-V262 HydrophobicContact CB-CG2 4.04Å; E230-I265 HydrophobicContact CB-CD1 3.65Å; E230-I265 VanDerWaalsContact O-CD1 3.25Å; E230-I265 WeakPolarHBondContact O-CD1 3.29Å
231V96.6Very high92.5Very high40 Ų4033.4 Ų33.424%0.24219%0.193CC..Hα-helixtrans-67.8-40.2177.5179.60000110.5H190 I228 P229 F233 Q234 L235H190-V231 HydrophobicContact CB-CB 4.17Å; H190-V231 HydrophobicContact CB-CG1 3.79Å; I228-V231 HydrophobicContact CB-CG2 4.36Å; I228-V231 HydrophobicContact CG2-CB 4.14Å; I228-V231 HydrophobicContact CG2-CG2 3.56Å; I228-V231 PolarHBondContact O-N 3.49Å; I228-V231 VanDerWaalsContact O-N 3.09Å; P229-V231 VanDerWaalsContact C-N 3.31Å; P229-V231 PolarHBondContact O-N 3.47Å; V231-F233 PolarHBondContact O-N 3.23Å; V231-Q234 PolarHBondContact O-N 2.88Å; V231-L235 HydrophobicContact CG1-CD1 3.93Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 WeakPolarHBondContact O-CB 3.46Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.27Å; V231-L235 PolarHBondContact O-N 2.85Å
232C97.2Very high92.6Very high0 Ų034.4 Ų34.40%020%0.202CC..Hα-helixtrans-59.1-48.9176.2-64.10000111.9C188 M193 V217 I228 P229 L236C188-C232 PolarHBondContact O-SG 2.86Å; M193-C232 HydrophobicContact CE-CB 4.01Å; M193-C232 HydrophobicContact SD-CB 3.93Å; V217-C232 HydrophobicContact CG1-CB 3.85Å; V217-C232 HydrophobicContact CG2-CB 4.27Å; I228-C232 PolarHBondContact O-N 2.95Å; P229-C232 WeakPolarHBondContact O-CB 3.35Å; P229-C232 PolarHBondContact O-N 3.31Å; P229-C232 VanDerWaalsContact O-N 3.14Å; C232-L236 VanDerWaalsContact O-CG 3.25Å; C232-L236 WeakPolarHBondContact O-CG 3.32Å; C232-L236 PolarHBondContact O-N 3.46Å; C232-L236 VanDerWaalsContact O-N 3.15Å
233F97.4Very high92.9Very high0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-65.4-42.1177.3-79.8-73.4000112I214 V217 L218 P229 E230 V231 L236 L237 V262 I265 L266I214-F233 HydrophobicContact CD1-CD1 4.03Å; I214-F233 HydrophobicContact CD1-CE1 4.38Å; I214-F233 HydrophobicContact CG1-CD1 3.7Å; I214-F233 HydrophobicContact CG1-CE1 3.69Å; V217-F233 HydrophobicContact CB-CE1 4.4Å; V217-F233 HydrophobicContact CB-CE2 4.37Å; V217-F233 HydrophobicContact CB-CZ 4.12Å; V217-F233 HydrophobicContact CG1-CD2 3.88Å; V217-F233 HydrophobicContact CG1-CE1 4.31Å; V217-F233 HydrophobicContact CG1-CE2 3.49Å; V217-F233 VanDerWaalsContact CG1-CE2 3.49Å; V217-F233 HydrophobicContact CG1-CG 4.43Å; V217-F233 HydrophobicContact CG1-CZ 3.74Å; L218-F233 HydrophobicContact CB-CZ 4.11Å; L218-F233 HydrophobicContact CD1-CZ 4.1Å; P229-F233 WeakPolarHBondContact O-CD2 3.29Å; P229-F233 PolarHBondContact O-N 2.87Å; E230-F233 PolarHBondContact O-N 3.04Å; V231-F233 PolarHBondContact O-N 3.23Å; F233-L236 PolarHBondContact O-N 3.15Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 WeakPolarHBondContact O-CD1 3.27Å; F233-L237 VanDerWaalsContact O-CG 3.27Å; F233-L237 WeakPolarHBondContact O-CG 3.5Å; F233-L237 PolarHBondContact O-N 2.88Å; F233-V262 HydrophobicContact CD2-CB 4.31Å; F233-V262 HydrophobicContact CD2-CG1 3.35Å; F233-V262 HydrophobicContact CD2-CG2 4.07Å; F233-V262 HydrophobicContact CE2-CG1 3.44Å; F233-V262 VanDerWaalsContact CE2-CG1 3.44Å; F233-V262 HydrophobicContact CE2-CG2 4.47Å; F233-V262 HydrophobicContact CG-CG1 4.1Å; F233-V262 HydrophobicContact CZ-CG1 4.24Å; F233-I265 HydrophobicContact CB-CG2 4.28Å; F233-L266 HydrophobicContact CD1-CD1 4.09Å; F233-L266 HydrophobicContact CD1-CD2 3.91Å; F233-L266 HydrophobicContact CD1-CG 4.25Å; F233-L266 HydrophobicContact CE1-CD1 4.06Å; F233-L266 HydrophobicContact CE1-CD2 4.32Å; F233-L266 HydrophobicContact CG-CD1 4.46Å; F233-L266 HydrophobicContact CZ-CD1 4.4Å
234Q96.8Very high93.2Very high28 Ų2834 Ų3413%0.13117%0.174CC..Hα-helixtrans-58.5-51.4177.8-171.8-175.42900111.4E230 V231 L236 L237 N238 I265 L343 L344E230-Q234 WeakPolarHBondContact O-CB 3.39Å; E230-Q234 PolarHBondContact O-N 3.11Å; V231-Q234 PolarHBondContact O-N 2.88Å; Q234-L236 PolarHBondContact O-N 3.27Å; Q234-L237 PolarHBondContact O-N 3.29Å; Q234-N238 WeakPolarHBondContact O-CB 3.45Å; Q234-N238 VanDerWaalsContact O-CG 3.22Å; Q234-N238 PolarHBondContact O-N 3.49Å; Q234-I265 HydrophobicContact CB-CD1 4.21Å; Q234-I265 HydrophobicContact CB-CG2 4.48Å; Q234-L343 VanDerWaalsContact CG-O 3.23Å; Q234-L343 WeakPolarHBondContact CG-O 3.42Å; Q234-L343 PolarHBondContact NE2-O 3.43Å; Q234-L344 HydrophobicContact CG-CB 4.42Å; Q234-L344 VanDerWaalsContact NE2-C 3.34Å; Q234-L344 PolarHBondContact NE2-O 3.48Å
235L97.1Very high93.4Very high10 Ų1039.5 Ų39.55%0.05220%0.196CC..Hα-helixtrans-55.1-54.7177.7-76.2171000110.7H190 Q194 L197 V231 L237 N238 Y239H190-L235 HydrophobicContact CB-CD1 4.22Å; H190-L235 WeakPolarHBondContact O-CD1 3.37Å; Q194-L235 HydrophobicContact CB-CD1 4Å; Q194-L235 HydrophobicContact CB-CD2 4.38Å; Q194-L235 HydrophobicContact CG-CD2 4.43Å; L197-L235 HydrophobicContact CD1-CB 4.03Å; V231-L235 HydrophobicContact CG1-CD1 3.93Å; V231-L235 HydrophobicContact CG1-CG 4.19Å; V231-L235 WeakPolarHBondContact O-CB 3.46Å; V231-L235 VanDerWaalsContact O-CG 3.27Å; V231-L235 WeakPolarHBondContact O-CG 3.27Å; V231-L235 PolarHBondContact O-N 2.85Å; L235-L237 VanDerWaalsContact C-N 3.3Å; L235-L237 PolarHBondContact O-N 3.01Å; L235-N238 PolarHBondContact O-N 3.45Å; L235-N238 VanDerWaalsContact O-N 3.11Å; L235-Y239 WeakPolarHBondContact O-CD2 3.49Å; L235-Y239 PolarHBondContact O-N 2.92Å
236L97.8Very high94.2Very high0 Ų037.9 Ų37.90%019%0.186CC..Hα-helixtrans-55.6-45.6-179.5-69.6174.6000111.9L181 M193 V203 P213 I214 V217 C232 F233 Q234 Y239 N240 A241L181-L236 HydrophobicContact CD2-CD2 4.39Å; M193-L236 HydrophobicContact CE-CD1 3.5Å; M193-L236 HydrophobicContact CE-CD2 3.6Å; M193-L236 HydrophobicContact CE-CG 3.38Å; V203-L236 HydrophobicContact CG2-CB 4.15Å; V203-L236 HydrophobicContact CG2-CD2 3.41Å; V203-L236 VanDerWaalsContact CG2-CD2 3.41Å; V203-L236 HydrophobicContact CG2-CG 4.39Å; P213-L236 HydrophobicContact CB-CD2 4.12Å; I214-L236 HydrophobicContact CB-CD1 3.83Å; I214-L236 HydrophobicContact CG1-CD1 4.06Å; V217-L236 HydrophobicContact CG2-CD1 3.77Å; C232-L236 VanDerWaalsContact O-CG 3.25Å; C232-L236 WeakPolarHBondContact O-CG 3.32Å; C232-L236 PolarHBondContact O-N 3.46Å; C232-L236 VanDerWaalsContact O-N 3.15Å; F233-L236 PolarHBondContact O-N 3.15Å; Q234-L236 PolarHBondContact O-N 3.27Å; L236-Y239 CarbonylContact O-C 3.56Å; L236-Y239 PolarHBondContact O-N 3.42Å; L236-N240 PolarHBondContact O-N 3.26Å; L236-A241 HydrophobicContact CB-CB 3.88Å; L236-A241 WeakPolarHBondContact O-CB 3.4Å; L236-A241 PolarHBondContact O-N 3.43Å
237L97.2Very high94.7Very high7 Ų735.6 Ų35.64%0.03718%0.179CC..Hα-helixtrans-69.4-33.6179.7-68.9167.5000112.9I214 F233 Q234 L235 Y239 N240 R243 I265 L266 R318 L344I214-L237 HydrophobicContact CD1-CD2 4.05Å; I214-L237 HydrophobicContact CD1-CG 4.29Å; F233-L237 WeakPolarHBondContact O-CB 3.31Å; F233-L237 WeakPolarHBondContact O-CD1 3.27Å; F233-L237 VanDerWaalsContact O-CG 3.27Å; F233-L237 WeakPolarHBondContact O-CG 3.5Å; F233-L237 PolarHBondContact O-N 2.88Å; Q234-L237 PolarHBondContact O-N 3.29Å; L235-L237 VanDerWaalsContact C-N 3.3Å; L235-L237 PolarHBondContact O-N 3.01Å; L237-Y239 VanDerWaalsContact C-N 3.28Å; L237-N240 PolarHBondContact O-N 3.21Å; L237-R243 HydrophobicContact CD2-CG 4.12Å; L237-I265 HydrophobicContact CD1-CG2 3.63Å; L237-L266 HydrophobicContact CD1-CD2 4.11Å; L237-R318 PolarHBondContact O-NH2 3.4Å; L237-L344 HydrophobicContact CB-CD1 3.91Å; L237-L344 HydrophobicContact CD1-CD1 3.94Å
238N96.2Very high94.9Very high2 Ų239 Ų391%0.01119%0.193CC..Hα-helixtrans-69.7-26.6175.4-72.1-11000112.7Q234 L235 N240 R318 C325 Q326 L343Q234-N238 WeakPolarHBondContact O-CB 3.45Å; Q234-N238 VanDerWaalsContact O-CG 3.22Å; Q234-N238 PolarHBondContact O-N 3.49Å; L235-N238 PolarHBondContact O-N 3.45Å; L235-N238 VanDerWaalsContact O-N 3.11Å; N238-N240 VanDerWaalsContact C-N 3.27Å; N238-R318 PolarHBondContact OD1-NH1 2.94Å; N238-R318 PolarHBondContact OD1-NH2 3.01Å; N238-C325 HydrophobicContact CB-CB 4.45Å; N238-C325 VanDerWaalsContact O-CB 3.29Å; N238-C325 WeakPolarHBondContact O-CB 3.29Å; N238-C325 PolarHBondContact O-N 3.06Å; N238-Q326 HydrophobicContact CB-CB 4.4Å; N238-Q326 PolarHBondContact ND2-OE1 2.8Å; N238-L343 PolarHBondContact ND2-O 3.25Å; N238-L343 PolarHBondContact OD1-O 3.07Å
239Y96.8Very high95Very high34 Ų3436 Ų3613%0.13318%0.177CC..THydrogen-bonded Turntrans-89.210.6169.3-76.3-96000113.1L197 V203 L235 L236 L237 Q326L197-Y239 HydrophobicContact CB-CD1 3.93Å; L197-Y239 HydrophobicContact CB-CD2 3.92Å; L197-Y239 HydrophobicContact CB-CE1 3.8Å; L197-Y239 HydrophobicContact CB-CE2 3.78Å; L197-Y239 HydrophobicContact CB-CG 3.98Å; L197-Y239 HydrophobicContact CD1-CD2 3.71Å; L197-Y239 HydrophobicContact CD1-CE2 4.11Å; L197-Y239 HydrophobicContact CD1-CG 4.12Å; L197-Y239 HydrophobicContact CD2-CD1 4.21Å; L197-Y239 HydrophobicContact CD2-CD2 4.34Å; L197-Y239 HydrophobicContact CD2-CG 3.89Å; L197-Y239 HydrophobicContact CG-CD2 4.21Å; L197-Y239 HydrophobicContact CG-CE2 4.49Å; L197-Y239 HydrophobicContact CG-CG 4.21Å; L197-Y239 WeakPolarHBondContact O-CE1 3.41Å; V203-Y239 VanDerWaalsContact CG1-O 3.23Å; V203-Y239 WeakPolarHBondContact CG1-O 3.46Å; L235-Y239 WeakPolarHBondContact O-CD2 3.49Å; L235-Y239 PolarHBondContact O-N 2.92Å; L236-Y239 CarbonylContact O-C 3.56Å; L236-Y239 PolarHBondContact O-N 3.42Å; L237-Y239 VanDerWaalsContact C-N 3.28Å; Y239-Q326 HydrophobicContact CE2-CB 4.01Å; Y239-Q326 HydrophobicContact CE2-CG 4.22Å
240N95.1Very high95Very high66 Ų6636.9 Ų36.935%0.35318%0.181SC..THydrogen-bonded Turntrans68.445.7176.4-173.149.4000114.6R204 L236 L237 N238R204-N240 PolarHBondContact NH1-O 2.67Å; L236-N240 PolarHBondContact O-N 3.26Å; L237-N240 PolarHBondContact O-N 3.21Å; N238-N240 VanDerWaalsContact C-N 3.27Å
241A96.4Very high94.9Very high3 Ų339.3 Ų39.33%0.02519%0.191CC..  trans-52.2153.8167.300000113V203 R204 I214 L236 R243V203-A241 HydrophobicContact CG1-CB 4.45Å; V203-A241 HydrophobicContact CG2-CB 3.67Å; R204-A241 PolarHBondContact NH1-O 2.8Å; I214-A241 HydrophobicContact CB-CB 4.47Å; I214-A241 HydrophobicContact CD1-CB 4.13Å; L236-A241 HydrophobicContact CB-CB 3.88Å; L236-A241 WeakPolarHBondContact O-CB 3.4Å; L236-A241 PolarHBondContact O-N 3.43Å; A241-R243 PolarHBondContact O-N 2.97Å; A241-R243 VanDerWaalsContact O-N 3.13Å
242A92.2Very high94.8Very high23 Ų2337.4 Ų37.419%0.1918%0.18CC..  trans-65.8112.8170.200000109.9I214I214-A242 WeakPolarHBondContact CG2-O 3.48Å
243R92.8Very high94.7Very high119 Ų11937.4 Ų37.445%0.44918%0.18SC..PPolyproline II helixtrans-59.9145.4173.1-72.2-179.2-63.3-172.70.5110.7L237 A241 S269 Y270L237-R243 HydrophobicContact CD2-CG 4.12Å; A241-R243 PolarHBondContact O-N 2.97Å; A241-R243 VanDerWaalsContact O-N 3.13Å; R243-S269 VanDerWaalsContact CD-O 3.31Å; R243-S269 WeakPolarHBondContact CD-O 3.2Å; R243-S269 PolarHBondContact NH1-O 3.44Å; R243-Y270 HydrophobicContact CB-CE1 3.79Å; R243-Y270 WeakPolarHBondContact CB-OH 3.15Å; R243-Y270 HydrophobicContact CG-CE1 4.32Å
244I92.1Very high94.6Very high16 Ų1642 Ų428%0.08220%0.201CC..PPolyproline II helixtrans-64.1136.3176.3-63.4169.3000109.4L218 P246 V252 Y270L218-I244 HydrophobicContact CD2-CD1 4Å; I244-P246 WeakPolarHBondContact O-CD 3.4Å; I244-V252 HydrophobicContact CB-CG2 4.36Å; I244-V252 HydrophobicContact CD1-CG2 3.25Å; I244-V252 HydrophobicContact CG1-CG2 4.37Å; I244-V252 HydrophobicContact CG2-CG2 4.13Å; I244-Y270 PolarHBondContact N-OH 3.43Å; I244-Y270 PolarHBondContact O-OH 3.32Å
245Y91.1Very high94.4Very high152 Ų15243 Ų4360%0.59621%0.211SC*.PPolyproline II helixtrans-59.1122.2-177.6-177.7-129000110.7P247 Q248 F249Y245-P247 HydrophobicContact CD1-CB 4.11Å; Y245-P247 HydrophobicContact CD1-CG 3.99Å; Y245-P247 HydrophobicContact CE1-CB 3.77Å; Y245-P247 VanDerWaalsContact CE1-CD 3.48Å; Y245-P247 HydrophobicContact CE1-CG 3.42Å; Y245-P247 VanDerWaalsContact CE1-CG 3.42Å; Y245-P247 HydrophobicContact CE2-CG 4.15Å; Y245-P247 VanDerWaalsContact O-N 3.16Å; Y245-Q248 HydrophobicContact CD1-CG 4.26Å; Y245-Q248 WeakPolarHBondContact O-CA 3.25Å; Y245-Q248 PolarHBondContact O-N 3.41Å; Y245-F249 PolarHBondContact O-N 3.44Å
246P92.3Very high94.2Very high53 Ų5342.6 Ų42.634%0.34421%0.209SC..G310 helixtrans-53.7-39.4-168.9-28.534000115.8I244 Q248 F249 Y270 L273I244-P246 WeakPolarHBondContact O-CD 3.4Å; P246-Q248 PolarHBondContact O-N 3.23Å; P246-F249 WeakPolarHBondContact O-CB 3.21Å; P246-F249 PolarHBondContact O-N 3.18Å; P246-Y270 HydrophobicContact CG-CD1 4.25Å; P246-Y270 HydrophobicContact CG-CE1 4.02Å; P246-L273 HydrophobicContact CB-CD2 3.84Å; P246-L273 HydrophobicContact CG-CD2 4.27Å
247P91.5Very high94.1Very high69 Ų6946.7 Ų46.745%0.44823%0.225SC..G310 helixtrans-60.5-24.2173.4-2939.5000114.9Y245 H250Y245-P247 HydrophobicContact CD1-CB 4.11Å; Y245-P247 HydrophobicContact CD1-CG 3.99Å; Y245-P247 HydrophobicContact CE1-CB 3.77Å; Y245-P247 VanDerWaalsContact CE1-CD 3.48Å; Y245-P247 HydrophobicContact CE1-CG 3.42Å; Y245-P247 VanDerWaalsContact CE1-CG 3.42Å; Y245-P247 HydrophobicContact CE2-CG 4.15Å; Y245-P247 VanDerWaalsContact O-N 3.16Å; P247-H250 PolarHBondContact O-ND1 3.16Å; P247-H250 VanDerWaalsContact O-ND1 3.16Å
248Q92.2Very high93.9Very high86 Ų8649.5 Ų49.540%0.40224%0.24SC..G310 helixtrans-94.55.7176.1-64.3-164.332.500113.6Y245 P246 H250 K251Y245-Q248 HydrophobicContact CD1-CG 4.26Å; Y245-Q248 WeakPolarHBondContact O-CA 3.25Å; Y245-Q248 PolarHBondContact O-N 3.41Å; P246-Q248 PolarHBondContact O-N 3.23Å; Q248-H250 PolarHBondContact O-N 2.91Å; Q248-K251 HydrophobicContact CB-CD 4.46Å; Q248-K251 WeakPolarHBondContact O-CB 3.35Å; Q248-K251 PolarHBondContact O-N 3.03Å
249F95.1Very high93.8Very high0 Ų052.6 Ų52.60%025%0.252CS..THydrogen-bonded Turntrans-60.6-22-178.3-161.9-89.4000113.7Y245 P246 K251 V252 L253 L266 V267 Y270 L273 W279Y245-F249 PolarHBondContact O-N 3.44Å; P246-F249 WeakPolarHBondContact O-CB 3.21Å; P246-F249 PolarHBondContact O-N 3.18Å; F249-K251 PolarHBondContact O-N 2.8Å; F249-K251 VanDerWaalsContact O-N 3.14Å; F249-V252 HydrophobicContact CD1-CB 4.45Å; F249-V252 HydrophobicContact CD2-CG2 4.15Å; F249-V252 HydrophobicContact CE1-CB 4.38Å; F249-V252 HydrophobicContact CE1-CG1 4.44Å; F249-V252 HydrophobicContact CE2-CB 4.48Å; F249-V252 HydrophobicContact CE2-CG2 4.23Å; F249-V252 HydrophobicContact CG-CG2 4.46Å; F249-V252 HydrophobicContact CZ-CB 4.39Å; F249-V252 HydrophobicContact CZ-CG1 4.21Å; F249-V252 VanDerWaalsContact O-CB 3.25Å; F249-V252 WeakPolarHBondContact O-CB 2.99Å; F249-V252 PolarHBondContact O-N 3.16Å; F249-L253 HydrophobicContact CD1-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD2 4.29Å; F249-L253 HydrophobicContact CE1-CG 4.38Å; F249-L253 PolarHBondContact O-N 2.97Å; F249-L266 HydrophobicContact CE2-CB 4.14Å; F249-L266 HydrophobicContact CZ-CB 4.07Å; F249-V267 HydrophobicContact CE1-CG2 3.89Å; F249-V267 HydrophobicContact CZ-CG2 3.65Å; F249-Y270 HydrophobicContact CD2-CE2 4.21Å; F249-Y270 HydrophobicContact CE2-CD2 4.47Å; F249-Y270 AromaticContact CE2-CE2 3.75Å; F249-Y270 HydrophobicContact CE2-CE2 3.75Å; F249-L273 HydrophobicContact CD2-CD1 4.15Å; F249-L273 HydrophobicContact CD2-CD2 4.37Å; F249-L273 HydrophobicContact CE1-CD1 4.33Å; F249-L273 HydrophobicContact CE2-CD1 3.88Å; F249-L273 HydrophobicContact CG-CD1 4.49Å; F249-L273 HydrophobicContact CZ-CD1 3.98Å; F249-W279 HydrophobicContact CB-CH2 4.47Å; F249-W279 HydrophobicContact CB-CZ2 3.63Å; F249-W279 HydrophobicContact CD1-CD2 4.44Å; F249-W279 AromaticContact CD1-CE2 3.86Å; F249-W279 HydrophobicContact CD1-CE3 4.48Å; F249-W279 AromaticContact CD1-CH2 3.38Å; F249-W279 HydrophobicContact CD1-CH2 3.38Å; F249-W279 AromaticContact CD1-CZ2 3.32Å; F249-W279 HydrophobicContact CD1-CZ2 3.32Å; F249-W279 AromaticContact CD1-CZ3 3.99Å; F249-W279 HydrophobicContact CD1-CZ3 3.99Å; F249-W279 AromaticContact CE1-CH2 3.81Å; F249-W279 HydrophobicContact CE1-CH2 3.81Å; F249-W279 HydrophobicContact CE1-CZ2 4.22Å; F249-W279 HydrophobicContact CE1-CZ3 4.17Å; F249-W279 HydrophobicContact CG-CH2 4.06Å; F249-W279 AromaticContact CG-CZ2 3.7Å; F249-W279 HydrophobicContact CG-CZ2 3.7Å
250H94.8Very high93.7Very high24 Ų2452 Ų5211%0.11125%0.253CS..Hα-helixtrans-56.7-28.1170.864.5-82.5000113.1P247 Q248 V252 L253 Q254 K278 A282P247-H250 PolarHBondContact O-ND1 3.16Å; P247-H250 VanDerWaalsContact O-ND1 3.16Å; Q248-H250 PolarHBondContact O-N 2.91Å; H250-V252 VanDerWaalsContact C-N 3.32Å; H250-L253 PolarHBondContact O-N 3.38Å; H250-Q254 WeakPolarHBondContact O-CG 3.36Å; H250-Q254 PolarHBondContact O-N 3.46Å; H250-K278 HydrophobicContact CB-CB 3.96Å; H250-A282 HydrophobicContact CB-CB 4.38Å; H250-A282 WeakPolarHBondContact O-CB 3.48Å
251K93.4Very high93.7Very high94 Ų9453.1 Ų53.141%0.40926%0.256SS..Hα-helixtrans-68.2-31.8174.2-65.1-177.6176.2175.40112.5Q248 F249 L253 Q254 S255Q248-K251 HydrophobicContact CB-CD 4.46Å; Q248-K251 WeakPolarHBondContact O-CB 3.35Å; Q248-K251 PolarHBondContact O-N 3.03Å; F249-K251 PolarHBondContact O-N 2.8Å; F249-K251 VanDerWaalsContact O-N 3.14Å; K251-L253 VanDerWaalsContact C-N 3.35Å; K251-Q254 PolarHBondContact O-N 2.99Å; K251-S255 PolarHBondContact O-N 3.17Å; K251-S255 VanDerWaalsContact O-N 3.08Å; K251-S255 PolarHBondContact O-OG 3.38Å
252V95Very high93.7Very high0 Ų053 Ų530%026%0.255CS..Hα-helixtrans-60.8-50.2171.71760000109.6I244 F249 H250 Q254 S255 C256 L266I244-V252 HydrophobicContact CB-CG2 4.36Å; I244-V252 HydrophobicContact CD1-CG2 3.25Å; I244-V252 HydrophobicContact CG1-CG2 4.37Å; I244-V252 HydrophobicContact CG2-CG2 4.13Å; F249-V252 HydrophobicContact CD1-CB 4.45Å; F249-V252 HydrophobicContact CD2-CG2 4.15Å; F249-V252 HydrophobicContact CE1-CB 4.38Å; F249-V252 HydrophobicContact CE1-CG1 4.44Å; F249-V252 HydrophobicContact CE2-CB 4.48Å; F249-V252 HydrophobicContact CE2-CG2 4.23Å; F249-V252 HydrophobicContact CG-CG2 4.46Å; F249-V252 HydrophobicContact CZ-CB 4.39Å; F249-V252 HydrophobicContact CZ-CG1 4.21Å; F249-V252 VanDerWaalsContact O-CB 3.25Å; F249-V252 WeakPolarHBondContact O-CB 2.99Å; F249-V252 PolarHBondContact O-N 3.16Å; H250-V252 VanDerWaalsContact C-N 3.32Å; V252-Q254 VanDerWaalsContact C-N 3.29Å; V252-Q254 PolarHBondContact O-N 3.16Å; V252-S255 PolarHBondContact O-N 3.36Å; V252-S255 VanDerWaalsContact O-N 3.14Å; V252-C256 WeakPolarHBondContact O-CB 3.42Å; V252-C256 PolarHBondContact O-N 2.71Å; V252-L266 HydrophobicContact CG1-CD1 3.36Å; V252-L266 HydrophobicContact CG2-CD1 4.4Å
253L95.7Very high93.9Very high0 Ų051.9 Ų51.90%025%0.245CC..Hα-helixtrans-61.5-38.9179-60.5177.2000111.4F249 H250 K251 S255 Y257 V263 W279 A282 I283 M298F249-L253 HydrophobicContact CD1-CG 4.36Å; F249-L253 HydrophobicContact CE1-CD2 4.29Å; F249-L253 HydrophobicContact CE1-CG 4.38Å; F249-L253 PolarHBondContact O-N 2.97Å; H250-L253 PolarHBondContact O-N 3.38Å; K251-L253 VanDerWaalsContact C-N 3.35Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 3.46Å; L253-Y257 WeakPolarHBondContact O-CA 3.43Å; L253-Y257 WeakPolarHBondContact O-CB 3.32Å; L253-Y257 WeakPolarHBondContact O-CD1 3.45Å; L253-Y257 PolarHBondContact O-N 3.3Å; L253-V263 HydrophobicContact CD2-CG1 3.75Å; L253-V263 HydrophobicContact CD2-CG2 4.24Å; L253-W279 HydrophobicContact CD1-CB 3.64Å; L253-W279 HydrophobicContact CD1-CD2 3.67Å; L253-W279 HydrophobicContact CD1-CE3 3.67Å; L253-W279 HydrophobicContact CD1-CG 3.68Å; L253-W279 HydrophobicContact CD1-CZ3 4.49Å; L253-A282 HydrophobicContact CB-CB 3.82Å; L253-I283 HydrophobicContact CB-CD1 4.39Å; L253-I283 HydrophobicContact CB-CG1 3.96Å; L253-I283 HydrophobicContact CD1-CD1 4.09Å; L253-I283 HydrophobicContact CD1-CG1 4.49Å; L253-I283 HydrophobicContact CD2-CD1 4.25Å; L253-I283 HydrophobicContact CG-CD1 4.47Å; L253-M298 HydrophobicContact CD2-CE 4.47Å; L253-M298 HydrophobicContact CD2-SD 4.17Å
254Q94.1Very high94.1Very high96 Ų9646.3 Ų46.345%0.44923%0.225SC..Hα-helixtrans-62.3-36.1175.2-73.4172.4-19.700113.5H250 K251 V252 Y257 A282H250-Q254 WeakPolarHBondContact O-CG 3.36Å; H250-Q254 PolarHBondContact O-N 3.46Å; K251-Q254 PolarHBondContact O-N 2.99Å; V252-Q254 VanDerWaalsContact C-N 3.29Å; V252-Q254 PolarHBondContact O-N 3.16Å; Q254-Y257 VanDerWaalsContact O-CD1 3.23Å; Q254-Y257 WeakPolarHBondContact O-CD1 3.45Å; Q254-Y257 VanDerWaalsContact O-CE1 3.23Å; Q254-Y257 WeakPolarHBondContact O-CE1 3.31Å; Q254-A282 HydrophobicContact CG-CB 3.53Å
255S93.1Very high94.3Very high50 Ų5045.6 Ų45.635%0.3522%0.221SC..Hα-helixtrans-92.4-23.7-176.4-63.30000113.8K251 V252 L253K251-S255 PolarHBondContact O-N 3.17Å; K251-S255 VanDerWaalsContact O-N 3.08Å; K251-S255 PolarHBondContact O-OG 3.38Å; V252-S255 PolarHBondContact O-N 3.36Å; V252-S255 VanDerWaalsContact O-N 3.14Å; L253-S255 VanDerWaalsContact C-N 3.33Å; L253-S255 PolarHBondContact O-N 3.46Å
256C94.4Very high94.5Very high0 Ų038.4 Ų38.40%019%0.193CC..Hα-helixtrans-125.317.2-170.3-57.10000113.3L218 V252 D258 Y259 V262 V263L218-C256 VanDerWaalsContact CD1-SG 3.52Å; V252-C256 WeakPolarHBondContact O-CB 3.42Å; V252-C256 PolarHBondContact O-N 2.71Å; C256-D258 PolarHBondContact O-N 2.78Å; C256-D258 VanDerWaalsContact O-N 3.16Å; C256-Y259 CarbonylContact O-C 3.6Å; C256-Y259 PolarHBondContact O-N 3.3Å; C256-V262 HydrophobicContact CB-CB 4.45Å; C256-V262 HydrophobicContact CB-CG1 3.94Å; C256-V263 HydrophobicContact CB-CG2 4.17Å; C256-V263 WeakPolarHBondContact O-CG2 3.38Å
257Y93.8Very high94.7Very high86 Ų8636 Ų3634%0.33718%0.177SC..THydrogen-bonded Turntrans-57.6-31.9-176.953.9-104.4000113.4L253 Q254 Y259 P284 C287 Y295L253-Y257 WeakPolarHBondContact O-CA 3.43Å; L253-Y257 WeakPolarHBondContact O-CB 3.32Å; L253-Y257 WeakPolarHBondContact O-CD1 3.45Å; L253-Y257 PolarHBondContact O-N 3.3Å; Q254-Y257 VanDerWaalsContact O-CD1 3.23Å; Q254-Y257 WeakPolarHBondContact O-CD1 3.45Å; Q254-Y257 VanDerWaalsContact O-CE1 3.23Å; Q254-Y257 WeakPolarHBondContact O-CE1 3.31Å; Y257-Y259 PolarHBondContact O-N 3.16Å; Y257-P284 HydrophobicContact CD1-CG 4.34Å; Y257-P284 HydrophobicContact CD2-CG 4.4Å; Y257-P284 HydrophobicContact CE1-CG 4.17Å; Y257-P284 HydrophobicContact CE2-CG 4.24Å; Y257-P284 HydrophobicContact CG-CG 4.46Å; Y257-C287 VanDerWaalsContact C-SG 3.59Å; Y257-C287 HydrophobicContact CD2-CB 3.95Å; Y257-C287 VanDerWaalsContact CD2-SG 3.56Å; Y257-C287 PolarHBondContact O-SG 2.78Å; Y257-Y295 VanDerWaalsContact C-OH 3.25Å; Y257-Y295 WeakPolarHBondContact CA-OH 3.23Å; Y257-Y295 PolarHBondContact O-OH 3.08Å
258D93.3Very high94.8Very high66 Ų6633.1 Ų33.135%0.35316%0.158SC..THydrogen-bonded Turntrans-876-179.7-141.227.7000112.7C256 P260 R290 H291C256-D258 PolarHBondContact O-N 2.78Å; C256-D258 VanDerWaalsContact O-N 3.16Å; D258-P260 VanDerWaalsContact C-CD 3.47Å; D258-P260 WeakPolarHBondContact O-CD 3.27Å; D258-R290 IonicContact OD1-CZ 3.62Å; D258-R290 IonicContact OD1-NH1 2.78Å; D258-R290 PolarHBondContact OD1-NH1 3.23Å; D258-R290 IonicContact OD2-NH1 3.06Å; D258-R290 PolarHBondContact OD2-NH1 3.36Å; D258-H291 IonicContact OD1-NE2 2.68Å
259Y94.4Very high94.9Very high68 Ų6829.5 Ų29.527%0.26714%0.142SC..  trans-124.673.1-179.3-58.9-90.8000111T221 P229 C256 Y257 Q261 V262 V263T221-Y259 HydrophobicContact CG2-CD2 3.7Å; T221-Y259 HydrophobicContact CG2-CE2 3.74Å; T221-Y259 HydrophobicContact CG2-CG 4.15Å; T221-Y259 PolarHBondContact O-OH 3.47Å; P229-Y259 HydrophobicContact CG-CD1 3.67Å; P229-Y259 HydrophobicContact CG-CE1 3.84Å; P229-Y259 HydrophobicContact CG-CG 4.34Å; C256-Y259 CarbonylContact O-C 3.6Å; C256-Y259 PolarHBondContact O-N 3.3Å; Y257-Y259 PolarHBondContact O-N 3.16Å; Y259-Q261 PolarHBondContact O-N 2.92Å; Y259-Q261 VanDerWaalsContact O-N 3.16Å; Y259-V262 HydrophobicContact CG-CG2 4.5Å; Y259-V262 WeakPolarHBondContact O-CB 3.48Å; Y259-V262 PolarHBondContact O-N 3.06Å; Y259-V263 PolarHBondContact O-N 3.08Å; Y259-V263 VanDerWaalsContact O-N 3.16Å
260P95.1Very high94.9Very high22 Ų2230 Ų3014%0.14314%0.144CC..Hα-helixtrans-50.6-40.4179.7-29.535000114.1D258 V262 V263 E264 H291 F294D258-P260 VanDerWaalsContact C-CD 3.47Å; D258-P260 WeakPolarHBondContact O-CD 3.27Å; P260-V262 VanDerWaalsContact C-N 3.35Å; P260-V262 PolarHBondContact O-N 2.76Å; P260-V263 PolarHBondContact O-N 3.43Å; P260-E264 WeakPolarHBondContact O-CB 3.49Å; P260-E264 PolarHBondContact O-N 3.08Å; P260-H291 HydrophobicContact CG-CB 4.05Å; P260-F294 HydrophobicContact CB-CD1 3.68Å; P260-F294 HydrophobicContact CB-CD2 4.14Å; P260-F294 HydrophobicContact CB-CE1 3.85Å; P260-F294 HydrophobicContact CB-CE2 4.3Å; P260-F294 HydrophobicContact CB-CG 3.83Å; P260-F294 HydrophobicContact CB-CZ 4.16Å; P260-F294 HydrophobicContact CG-CD1 4.36Å; P260-F294 WeakPolarHBondContact O-CZ 3.27Å
261Q95.7Very high94.8Very high89 Ų8933.6 Ų33.642%0.41616%0.161SC..Hα-helixtrans-62.7-39.7179.3-64-176.114.700112.4E230 Y259 E264 I265 P346E230-Q261 HydrophobicContact CB-CB 4.03Å; E230-Q261 HydrophobicContact CG-CB 4.44Å; Y259-Q261 PolarHBondContact O-N 2.92Å; Y259-Q261 VanDerWaalsContact O-N 3.16Å; Q261-E264 WeakPolarHBondContact O-CB 3.37Å; Q261-E264 PolarHBondContact O-N 2.76Å; Q261-I265 WeakPolarHBondContact O-CD1 3.4Å; Q261-I265 WeakPolarHBondContact O-CG1 3.23Å; Q261-I265 PolarHBondContact O-N 3.38Å; Q261-P346 HydrophobicContact CB-CB 3.82Å; Q261-P346 HydrophobicContact CB-CG 3.94Å; Q261-P346 HydrophobicContact CG-CB 3.98Å; Q261-P346 HydrophobicContact CG-CG 4.12Å
262V95.8Very high94.6Very high0 Ų033.5 Ų33.50%016%0.162CC..Hα-helixtrans-62.6-46.6174171.10000110.6P229 E230 F233 C256 Y259 P260 E264 I265 L266P229-V262 HydrophobicContact CB-CG2 3.87Å; P229-V262 HydrophobicContact CG-CG2 3.91Å; E230-V262 HydrophobicContact CB-CG2 4.04Å; F233-V262 HydrophobicContact CD2-CB 4.31Å; F233-V262 HydrophobicContact CD2-CG1 3.35Å; F233-V262 HydrophobicContact CD2-CG2 4.07Å; F233-V262 HydrophobicContact CE2-CG1 3.44Å; F233-V262 VanDerWaalsContact CE2-CG1 3.44Å; F233-V262 HydrophobicContact CE2-CG2 4.47Å; F233-V262 HydrophobicContact CG-CG1 4.1Å; F233-V262 HydrophobicContact CZ-CG1 4.24Å; C256-V262 HydrophobicContact CB-CB 4.45Å; C256-V262 HydrophobicContact CB-CG1 3.94Å; Y259-V262 HydrophobicContact CG-CG2 4.5Å; Y259-V262 WeakPolarHBondContact O-CB 3.48Å; Y259-V262 PolarHBondContact O-N 3.06Å; P260-V262 VanDerWaalsContact C-N 3.35Å; P260-V262 PolarHBondContact O-N 2.76Å; V262-E264 VanDerWaalsContact C-N 3.3Å; V262-E264 PolarHBondContact O-N 2.83Å; V262-I265 PolarHBondContact O-N 3.44Å; V262-L266 HydrophobicContact CG1-CD1 3.8Å; V262-L266 WeakPolarHBondContact O-CB 3.22Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 3.16Å
263V96Very high94.5Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-61.9-41.9178.1178.80000110.3L253 C256 Y259 P260 L266 V267 F294 M298L253-V263 HydrophobicContact CD2-CG1 3.75Å; L253-V263 HydrophobicContact CD2-CG2 4.24Å; C256-V263 HydrophobicContact CB-CG2 4.17Å; C256-V263 WeakPolarHBondContact O-CG2 3.38Å; Y259-V263 PolarHBondContact O-N 3.08Å; Y259-V263 VanDerWaalsContact O-N 3.16Å; P260-V263 PolarHBondContact O-N 3.43Å; V263-L266 PolarHBondContact O-N 3.49Å; V263-V267 HydrophobicContact CG1-CG2 4.16Å; V263-V267 WeakPolarHBondContact O-CB 3.07Å; V263-V267 VanDerWaalsContact O-CG2 3.29Å; V263-V267 WeakPolarHBondContact O-CG2 3.01Å; V263-V267 PolarHBondContact O-N 3.16Å; V263-F294 HydrophobicContact CB-CE1 4Å; V263-F294 HydrophobicContact CB-CZ 3.91Å; V263-F294 HydrophobicContact CG1-CE1 3.97Å; V263-F294 HydrophobicContact CG1-CZ 3.96Å; V263-M298 HydrophobicContact CG1-SD 3.58Å; V263-M298 VanDerWaalsContact CG1-SD 3.58Å
264E96.5Very high94.2Very high2 Ų240 Ų401%0.00919%0.19CC..Hα-helixtrans-57.6-54.1177-164.8-167.7146.100111.2P260 Q261 V262 L266 V267 N268 F294 P346 E347 G348 L350P260-E264 WeakPolarHBondContact O-CB 3.49Å; P260-E264 PolarHBondContact O-N 3.08Å; Q261-E264 WeakPolarHBondContact O-CB 3.37Å; Q261-E264 PolarHBondContact O-N 2.76Å; V262-E264 VanDerWaalsContact C-N 3.3Å; V262-E264 PolarHBondContact O-N 2.83Å; E264-L266 VanDerWaalsContact C-N 3.29Å; E264-L266 PolarHBondContact O-N 3.3Å; E264-V267 PolarHBondContact O-N 3.47Å; E264-N268 WeakPolarHBondContact O-CB 3.39Å; E264-N268 VanDerWaalsContact O-CG 3.24Å; E264-N268 PolarHBondContact O-N 2.93Å; E264-N268 PolarHBondContact O-ND2 3.05Å; E264-F294 HydrophobicContact CB-CE2 3.8Å; E264-F294 HydrophobicContact CB-CZ 4.11Å; E264-F294 HydrophobicContact CG-CE2 4.16Å; E264-P346 WeakPolarHBondContact OE1-CA 3.48Å; E264-P346 WeakPolarHBondContact OE2-CB 3.34Å; E264-E347 PolarHBondContact OE1-N 2.9Å; E264-E347 PolarHBondContact OE2-N 3.48Å; E264-G348 WeakPolarHBondContact OE2-CA 3.14Å; E264-G348 PolarHBondContact OE2-N 3.03Å; E264-L350 HydrophobicContact CG-CD2 3.57Å; E264-L350 HydrophobicContact CG-CG 4.02Å
265I96.7Very high94Very high1 Ų137.1 Ų37.11%0.00518%0.18CC..Hα-helixtrans-54.1-48.3178-71.8164.9000110.5E230 F233 Q234 L237 Q261 V262 N268 S269 L344 P346E230-I265 HydrophobicContact CB-CD1 3.65Å; E230-I265 VanDerWaalsContact O-CD1 3.25Å; E230-I265 WeakPolarHBondContact O-CD1 3.29Å; F233-I265 HydrophobicContact CB-CG2 4.28Å; Q234-I265 HydrophobicContact CB-CD1 4.21Å; Q234-I265 HydrophobicContact CB-CG2 4.48Å; L237-I265 HydrophobicContact CD1-CG2 3.63Å; Q261-I265 WeakPolarHBondContact O-CD1 3.4Å; Q261-I265 WeakPolarHBondContact O-CG1 3.23Å; Q261-I265 PolarHBondContact O-N 3.38Å; V262-I265 PolarHBondContact O-N 3.44Å; I265-N268 PolarHBondContact O-N 3Å; I265-S269 PolarHBondContact O-N 2.75Å; I265-L344 WeakPolarHBondContact CG1-O 3.32Å; I265-L344 HydrophobicContact CG2-CB 4.28Å; I265-L344 HydrophobicContact CG2-CD1 4.26Å; I265-P346 HydrophobicContact CD1-CG 4.25Å; I265-P346 HydrophobicContact CG1-CB 4.37Å
266L96Very high93.8Very high1 Ų137.7 Ų37.71%0.00518%0.181CC..Hα-helixtrans-65.6-50.6-178.4-74.8166.6000111.1I214 F233 L237 F249 V252 V262 V263 E264 N268 S269 Y270I214-L266 HydrophobicContact CD1-CD2 4.39Å; F233-L266 HydrophobicContact CD1-CD1 4.09Å; F233-L266 HydrophobicContact CD1-CD2 3.91Å; F233-L266 HydrophobicContact CD1-CG 4.25Å; F233-L266 HydrophobicContact CE1-CD1 4.06Å; F233-L266 HydrophobicContact CE1-CD2 4.32Å; F233-L266 HydrophobicContact CG-CD1 4.46Å; F233-L266 HydrophobicContact CZ-CD1 4.4Å; L237-L266 HydrophobicContact CD1-CD2 4.11Å; F249-L266 HydrophobicContact CE2-CB 4.14Å; F249-L266 HydrophobicContact CZ-CB 4.07Å; V252-L266 HydrophobicContact CG1-CD1 3.36Å; V252-L266 HydrophobicContact CG2-CD1 4.4Å; V262-L266 HydrophobicContact CG1-CD1 3.8Å; V262-L266 WeakPolarHBondContact O-CB 3.22Å; V262-L266 WeakPolarHBondContact O-CG 3.25Å; V262-L266 PolarHBondContact O-N 3.16Å; V263-L266 PolarHBondContact O-N 3.49Å; E264-L266 VanDerWaalsContact C-N 3.29Å; E264-L266 PolarHBondContact O-N 3.3Å; L266-N268 VanDerWaalsContact C-N 3.27Å; L266-N268 PolarHBondContact O-N 3.31Å; L266-S269 WeakPolarHBondContact O-CB 3.2Å; L266-S269 PolarHBondContact O-N 3.42Å; L266-S269 VanDerWaalsContact O-N 3.09Å; L266-S269 PolarHBondContact O-OG 2.75Å; L266-Y270 WeakPolarHBondContact O-CD2 3.2Å; L266-Y270 WeakPolarHBondContact O-CE2 3.36Å
267V95.5Very high93.5Very high3 Ų349.3 Ų49.32%0.01823%0.225CC..Hα-helixtrans-57.3-43.5177.6167.90000111F249 V263 E264 S269 Y270 L273 M298 L350F249-V267 HydrophobicContact CE1-CG2 3.89Å; F249-V267 HydrophobicContact CZ-CG2 3.65Å; V263-V267 HydrophobicContact CG1-CG2 4.16Å; V263-V267 WeakPolarHBondContact O-CB 3.07Å; V263-V267 VanDerWaalsContact O-CG2 3.29Å; V263-V267 WeakPolarHBondContact O-CG2 3.01Å; V263-V267 PolarHBondContact O-N 3.16Å; E264-V267 PolarHBondContact O-N 3.47Å; V267-S269 PolarHBondContact O-N 2.94Å; V267-Y270 PolarHBondContact O-N 3.34Å; V267-Y270 VanDerWaalsContact O-N 3.15Å; V267-L273 HydrophobicContact CB-CD1 4.32Å; V267-L273 HydrophobicContact CG1-CD1 4.34Å; V267-L273 HydrophobicContact CG2-CD1 4.13Å; V267-M298 HydrophobicContact CG2-CG 4.1Å; V267-M298 HydrophobicContact CG2-SD 4.16Å; V267-L350 HydrophobicContact CB-CD1 4.47Å; V267-L350 HydrophobicContact CG1-CD1 4.1Å; V267-L350 HydrophobicContact CG1-CD2 4.4Å
268N95Very high93.4Very high8 Ų851.7 Ų51.74%0.04324%0.237CC..Hα-helixtrans-66.3-17.3-179.7-83.9-20.3000114.5E264 I265 L266 Y270 R307 R314 L344 L350E264-N268 WeakPolarHBondContact O-CB 3.39Å; E264-N268 VanDerWaalsContact O-CG 3.24Å; E264-N268 PolarHBondContact O-N 2.93Å; E264-N268 PolarHBondContact O-ND2 3.05Å; I265-N268 PolarHBondContact O-N 3Å; L266-N268 VanDerWaalsContact C-N 3.27Å; L266-N268 PolarHBondContact O-N 3.31Å; N268-Y270 VanDerWaalsContact C-N 3.26Å; N268-Y270 PolarHBondContact O-N 3.32Å; N268-R307 PolarHBondContact OD1-NH1 3.46Å; N268-R314 VanDerWaalsContact CB-NH1 3.27Å; N268-R314 VanDerWaalsContact CG-NH1 3.28Å; N268-R314 PolarHBondContact ND2-NH1 3.41Å; N268-R314 PolarHBondContact O-NH2 3.3Å; N268-R314 PolarHBondContact OD1-NH2 3.44Å; N268-L344 HydrophobicContact CB-CD2 3.81Å; N268-L350 WeakPolarHBondContact OD1-CD2 3.46Å
269S94.6Very high93.5Very high9 Ų948.6 Ų48.66%0.06322%0.221CC..THydrogen-bonded Turntrans-77.6-6.8174.8800000114.3R243 I265 L266 V267R243-S269 VanDerWaalsContact CD-O 3.31Å; R243-S269 WeakPolarHBondContact CD-O 3.2Å; R243-S269 PolarHBondContact NH1-O 3.44Å; I265-S269 PolarHBondContact O-N 2.75Å; L266-S269 WeakPolarHBondContact O-CB 3.2Å; L266-S269 PolarHBondContact O-N 3.42Å; L266-S269 VanDerWaalsContact O-N 3.09Å; L266-S269 PolarHBondContact O-OG 2.75Å; V267-S269 PolarHBondContact O-N 2.94Å
270Y94.2Very high93.5Very high11 Ų1149 Ų494%0.04322%0.221CC..  trans-111.2141.2179.9-59.1-98.7000111.5R243 I244 P246 F249 L266 V267 N268 H272 L273 H311R243-Y270 HydrophobicContact CB-CE1 3.79Å; R243-Y270 WeakPolarHBondContact CB-OH 3.15Å; R243-Y270 HydrophobicContact CG-CE1 4.32Å; I244-Y270 PolarHBondContact N-OH 3.43Å; I244-Y270 PolarHBondContact O-OH 3.32Å; P246-Y270 HydrophobicContact CG-CD1 4.25Å; P246-Y270 HydrophobicContact CG-CE1 4.02Å; F249-Y270 HydrophobicContact CD2-CE2 4.21Å; F249-Y270 HydrophobicContact CE2-CD2 4.47Å; F249-Y270 AromaticContact CE2-CE2 3.75Å; F249-Y270 HydrophobicContact CE2-CE2 3.75Å; L266-Y270 WeakPolarHBondContact O-CD2 3.2Å; L266-Y270 WeakPolarHBondContact O-CE2 3.36Å; V267-Y270 PolarHBondContact O-N 3.34Å; V267-Y270 VanDerWaalsContact O-N 3.15Å; N268-Y270 VanDerWaalsContact C-N 3.26Å; N268-Y270 PolarHBondContact O-N 3.32Å; Y270-H272 VanDerWaalsContact C-N 3.31Å; Y270-L273 HydrophobicContact CD1-CD2 3.73Å; Y270-L273 HydrophobicContact CD1-CG 4.29Å; Y270-L273 HydrophobicContact CD2-CD1 3.59Å; Y270-L273 HydrophobicContact CD2-CD2 4.03Å; Y270-L273 HydrophobicContact CD2-CG 3.94Å; Y270-L273 HydrophobicContact CE1-CD2 4.15Å; Y270-L273 HydrophobicContact CE2-CD1 4.18Å; Y270-L273 HydrophobicContact CE2-CD2 4.43Å; Y270-L273 HydrophobicContact CG-CD1 3.93Å; Y270-L273 HydrophobicContact CG-CD2 3.68Å; Y270-L273 HydrophobicContact CG-CG 3.72Å; Y270-H311 PolarHBondContact O-CE1 3.01Å; Y270-H311 PolarHBondContact O-NE2 2.85Å
271E92.5Very high93.4Very high99 Ų9951.3 Ų51.346%0.46325%0.25SS..SBendtrans-65.4-40.3171.3-65.7140.5-136.600110.8L312 C315E271-L312 HydrophobicContact CB-CD2 4.45Å; E271-C315 HydrophobicContact CG-CB 3.49Å; E271-C315 VanDerWaalsContact CG-CB 3.49Å
272H90.2Very high93.4Very high93 Ų9347.4 Ų47.443%0.43123%0.233SC..  trans-146.7132.8-179.1-176.876.1000110.5Y270 T303Y270-H272 VanDerWaalsContact C-N 3.31Å; H272-T303 PolarHBondContact CE1-O 3.03Å
273L92.2Very high93.4Very high10 Ų1047.6 Ų47.65%0.05223%0.234CC..  trans-129.6136.8167.9-74.9174.7000108.8P246 F249 V267 Y270 W279P246-L273 HydrophobicContact CB-CD2 3.84Å; P246-L273 HydrophobicContact CG-CD2 4.27Å; F249-L273 HydrophobicContact CD2-CD1 4.15Å; F249-L273 HydrophobicContact CD2-CD2 4.37Å; F249-L273 HydrophobicContact CE1-CD1 4.33Å; F249-L273 HydrophobicContact CE2-CD1 3.88Å; F249-L273 HydrophobicContact CG-CD1 4.49Å; F249-L273 HydrophobicContact CZ-CD1 3.98Å; V267-L273 HydrophobicContact CB-CD1 4.32Å; V267-L273 HydrophobicContact CG1-CD1 4.34Å; V267-L273 HydrophobicContact CG2-CD1 4.13Å; Y270-L273 HydrophobicContact CD1-CD2 3.73Å; Y270-L273 HydrophobicContact CD1-CG 4.29Å; Y270-L273 HydrophobicContact CD2-CD1 3.59Å; Y270-L273 HydrophobicContact CD2-CD2 4.03Å; Y270-L273 HydrophobicContact CD2-CG 3.94Å; Y270-L273 HydrophobicContact CE1-CD2 4.15Å; Y270-L273 HydrophobicContact CE2-CD1 4.18Å; Y270-L273 HydrophobicContact CE2-CD2 4.43Å; Y270-L273 HydrophobicContact CG-CD1 3.93Å; Y270-L273 HydrophobicContact CG-CD2 3.68Å; Y270-L273 HydrophobicContact CG-CG 3.72Å; L273-W279 HydrophobicContact CB-CH2 3.93Å; L273-W279 HydrophobicContact CB-CZ2 4.47Å; L273-W279 HydrophobicContact CD1-CH2 4.06Å; L273-W279 HydrophobicContact CG-CH2 4.48Å
274K89.8Confident93.4Very high125 Ų12550 Ų5054%0.54325%0.249SC..  trans-109.7113.9177.7-176170.9-179.4164.30109.9N304K274-N304 VanDerWaalsContact CE-OD1 3.23Å; K274-N304 WeakPolarHBondContact CE-OD1 3.23Å; K274-N304 PolarHBondContact NZ-OD1 2.81Å
275P89.3Confident93.4Very high36 Ų3655.7 Ų55.723%0.23428%0.28CS..  trans-60.8144174.2-24.735.6000110.8W279 F299 C302P275-W279 HydrophobicContact CB-CD2 4.01Å; P275-W279 HydrophobicContact CB-CE3 3.93Å; P275-W279 HydrophobicContact CB-CG 4.34Å; P275-W279 HydrophobicContact CB-CZ3 4.45Å; P275-W279 HydrophobicContact CG-CE3 4.08Å; P275-W279 HydrophobicContact CG-CZ3 4.14Å; P275-F299 HydrophobicContact CB-CD1 4.16Å; P275-F299 HydrophobicContact CB-CE1 4.19Å; P275-F299 HydrophobicContact CG-CD1 4.18Å; P275-C302 WeakPolarHBondContact CD-O 3.1Å; P275-C302 HydrophobicContact CG-CB 3.57Å; P275-C302 WeakPolarHBondContact CG-O 3.07Å
276T89.8Confident93.4Very high62 Ų6260.6 Ų60.638%0.3831%0.306SS..  trans-114.1164.9170.963.40000108.5K278 W279T276-K278 PolarHBondContact O-N 3.32Å; T276-W279 WeakPolarHBondContact O-CB 3.25Å; T276-W279 PolarHBondContact O-N 3.44Å
277R87.1Confident93.4Very high245 Ų24560.7 Ų60.793%0.92531%0.307SS*.Hα-helixtrans-54.8-25.5174.2-65.7-176.4-179.1177.3-0.2112.8W279R277-W279 VanDerWaalsContact C-N 3.28Å; R277-W279 PolarHBondContact O-N 3.21Å
278K92.9Very high93.4Very high136 Ų13662 Ų6259%0.59131%0.312SS*.Hα-helixtrans-68.8-21.3176.5-61-174.4177.6-175.30113.6H250 T276 A282H250-K278 HydrophobicContact CB-CB 3.96Å; T276-K278 PolarHBondContact O-N 3.32Å; K278-A282 VanDerWaalsContact O-CB 3.29Å; K278-A282 WeakPolarHBondContact O-CB 3.33Å; K278-A282 PolarHBondContact O-N 3.15Å; K278-A282 VanDerWaalsContact O-N 3.09Å
279W94.6Very high93.4Very high1 Ų167 Ų670%0.00434%0.335CS..Hα-helixtrans-69.7-48.3-178.5-75.933.6000111.8F249 L253 L273 P275 T276 R277 G281 A282 M298 F299 C302F249-W279 HydrophobicContact CB-CH2 4.47Å; F249-W279 HydrophobicContact CB-CZ2 3.63Å; F249-W279 HydrophobicContact CD1-CD2 4.44Å; F249-W279 AromaticContact CD1-CE2 3.86Å; F249-W279 HydrophobicContact CD1-CE3 4.48Å; F249-W279 AromaticContact CD1-CH2 3.38Å; F249-W279 HydrophobicContact CD1-CH2 3.38Å; F249-W279 AromaticContact CD1-CZ2 3.32Å; F249-W279 HydrophobicContact CD1-CZ2 3.32Å; F249-W279 AromaticContact CD1-CZ3 3.99Å; F249-W279 HydrophobicContact CD1-CZ3 3.99Å; F249-W279 AromaticContact CE1-CH2 3.81Å; F249-W279 HydrophobicContact CE1-CH2 3.81Å; F249-W279 HydrophobicContact CE1-CZ2 4.22Å; F249-W279 HydrophobicContact CE1-CZ3 4.17Å; F249-W279 HydrophobicContact CG-CH2 4.06Å; F249-W279 AromaticContact CG-CZ2 3.7Å; F249-W279 HydrophobicContact CG-CZ2 3.7Å; L253-W279 HydrophobicContact CD1-CB 3.64Å; L253-W279 HydrophobicContact CD1-CD2 3.67Å; L253-W279 HydrophobicContact CD1-CE3 3.67Å; L253-W279 HydrophobicContact CD1-CG 3.68Å; L253-W279 HydrophobicContact CD1-CZ3 4.49Å; L273-W279 HydrophobicContact CB-CH2 3.93Å; L273-W279 HydrophobicContact CB-CZ2 4.47Å; L273-W279 HydrophobicContact CD1-CH2 4.06Å; L273-W279 HydrophobicContact CG-CH2 4.48Å; P275-W279 HydrophobicContact CB-CD2 4.01Å; P275-W279 HydrophobicContact CB-CE3 3.93Å; P275-W279 HydrophobicContact CB-CG 4.34Å; P275-W279 HydrophobicContact CB-CZ3 4.45Å; P275-W279 HydrophobicContact CG-CE3 4.08Å; P275-W279 HydrophobicContact CG-CZ3 4.14Å; T276-W279 WeakPolarHBondContact O-CB 3.25Å; T276-W279 PolarHBondContact O-N 3.44Å; R277-W279 VanDerWaalsContact C-N 3.28Å; R277-W279 PolarHBondContact O-N 3.21Å; W279-G281 VanDerWaalsContact C-N 3.34Å; W279-G281 PolarHBondContact O-N 2.67Å; W279-A282 WeakPolarHBondContact O-CB 3.39Å; W279-A282 PolarHBondContact O-N 3.18Å; W279-A282 VanDerWaalsContact O-N 3.14Å; W279-M298 HydrophobicContact CE3-CE 3.98Å; W279-M298 HydrophobicContact CZ3-CE 4.11Å; W279-M298 HydrophobicContact CZ3-SD 4.49Å; W279-F299 HydrophobicContact CB-CE1 3.9Å; W279-F299 HydrophobicContact CB-CZ 4.16Å; W279-F299 HydrophobicContact CE3-CE1 4.03Å; W279-C302 HydrophobicContact CZ3-CB 4.4Å
280R93.3Very high93.5Very high75 Ų7573.6 Ų73.628%0.28336%0.358SS..Hα-helixtrans-61.8-45.6176.4-179.767.7-145.3101.33.2110.5A282 I283 D285 Y288R280-A282 PolarHBondContact O-N 3.46Å; R280-A282 VanDerWaalsContact O-N 3.14Å; R280-I283 VanDerWaalsContact NH1-CB 3.32Å; R280-I283 PolarHBondContact NH1-O 2.91Å; R280-I283 PolarHBondContact NH2-O 3.14Å; R280-I283 PolarHBondContact O-N 3.34Å; R280-D285 IonicContact CZ-OD1 2.74Å; R280-D285 IonicContact NH2-OD1 3.69Å; R280-D285 PolarHBondContact NH2-OD1 3.09Å; R280-Y288 VanDerWaalsContact CZ-CD2 3.45Å; R280-Y288 VanDerWaalsContact NH1-CD2 3.28Å
281G94.1Very high93.5Very high72 Ų7275.5 Ų75.574%0.74237%0.368SS*.THydrogen-bonded Turntrans-67.4-8.5177.200000115.4W279W279-G281 VanDerWaalsContact C-N 3.34Å; W279-G281 PolarHBondContact O-N 2.67Å
282A95.4Very high93.6Very high7 Ų774.7 Ų74.76%0.05836%0.362CS..THydrogen-bonded Turntrans-85.9-15.6175.400000113.4H250 L253 Q254 K278 W279 R280H250-A282 HydrophobicContact CB-CB 4.38Å; H250-A282 WeakPolarHBondContact O-CB 3.48Å; L253-A282 HydrophobicContact CB-CB 3.82Å; Q254-A282 HydrophobicContact CG-CB 3.53Å; K278-A282 VanDerWaalsContact O-CB 3.29Å; K278-A282 WeakPolarHBondContact O-CB 3.33Å; K278-A282 PolarHBondContact O-N 3.15Å; K278-A282 VanDerWaalsContact O-N 3.09Å; W279-A282 WeakPolarHBondContact O-CB 3.39Å; W279-A282 PolarHBondContact O-N 3.18Å; W279-A282 VanDerWaalsContact O-N 3.14Å; R280-A282 PolarHBondContact O-N 3.46Å; R280-A282 VanDerWaalsContact O-N 3.14Å
283I96.3Very high93.8Very high4 Ų476.9 Ų76.92%0.02138%0.377CS..SBendtrans-113116.4-175.6-58.8157000107.5L253 R280 Y288 Y295 F299L253-I283 HydrophobicContact CB-CD1 4.39Å; L253-I283 HydrophobicContact CB-CG1 3.96Å; L253-I283 HydrophobicContact CD1-CD1 4.09Å; L253-I283 HydrophobicContact CD1-CG1 4.49Å; L253-I283 HydrophobicContact CD2-CD1 4.25Å; L253-I283 HydrophobicContact CG-CD1 4.47Å; R280-I283 VanDerWaalsContact NH1-CB 3.32Å; R280-I283 PolarHBondContact NH1-O 2.91Å; R280-I283 PolarHBondContact NH2-O 3.14Å; R280-I283 PolarHBondContact O-N 3.34Å; I283-Y288 HydrophobicContact CG2-CD2 4.36Å; I283-Y295 HydrophobicContact CD1-CD1 3.7Å; I283-Y295 HydrophobicContact CD1-CE1 3.49Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.49Å; I283-Y295 HydrophobicContact CD1-CG 4.46Å; I283-Y295 HydrophobicContact CG1-CE1 4.22Å; I283-Y295 HydrophobicContact CG2-CE2 4.08Å; I283-F299 HydrophobicContact CD1-CE2 4.22Å; I283-F299 HydrophobicContact CD1-CZ 4.21Å
284P96.4Very high93.9Very high49 Ų4977 Ų7732%0.31838%0.377SS..  trans-52146.4175-28.337.1000113.1Y257 D286 C287 Y288Y257-P284 HydrophobicContact CD1-CG 4.34Å; Y257-P284 HydrophobicContact CD2-CG 4.4Å; Y257-P284 HydrophobicContact CE1-CG 4.17Å; Y257-P284 HydrophobicContact CE2-CG 4.24Å; Y257-P284 HydrophobicContact CG-CG 4.46Å; P284-D286 VanDerWaalsContact C-N 3.34Å; P284-D286 WeakPolarHBondContact CB-OD1 3.23Å; P284-D286 PolarHBondContact O-N 3.33Å; P284-C287 HydrophobicContact CB-CB 4.28Å; P284-C287 PolarHBondContact O-N 3.38Å; P284-Y288 PolarHBondContact O-N 3.09Å
285D96Very high94.2Very high122 Ų12271 Ų7165%0.65235%0.351SS*.Hα-helixtrans-63.4-38.3-176.2-71.5-35.6000112.8R280 Y288 E289R280-D285 IonicContact CZ-OD1 2.74Å; R280-D285 IonicContact NH2-OD1 3.69Å; R280-D285 PolarHBondContact NH2-OD1 3.09Å; D285-Y288 PolarHBondContact O-N 3.21Å; D285-E289 PolarHBondContact O-N 2.85Å
286D96.3Very high94.3Very high105 Ų10572.5 Ų72.556%0.56136%0.357SS*.Hα-helixtrans-64.3-41.9175.962.7-42.7000112.5P284 R290P284-D286 VanDerWaalsContact C-N 3.34Å; P284-D286 WeakPolarHBondContact CB-OD1 3.23Å; P284-D286 PolarHBondContact O-N 3.33Å; D286-R290 WeakPolarHBondContact O-CB 3.33Å; D286-R290 PolarHBondContact O-N 3.01Å; D286-R290 VanDerWaalsContact O-N 3.1Å
287C95.1Very high94.5Very high2 Ų270.5 Ų70.51%0.01435%0.346CS..Hα-helixtrans-68.5-40.1175.2-178.30000111.8Y257 P284 E289 R290 H291Y257-C287 VanDerWaalsContact C-SG 3.59Å; Y257-C287 HydrophobicContact CD2-CB 3.95Å; Y257-C287 VanDerWaalsContact CD2-SG 3.56Å; Y257-C287 PolarHBondContact O-SG 2.78Å; P284-C287 HydrophobicContact CB-CB 4.28Å; P284-C287 PolarHBondContact O-N 3.38Å; C287-E289 PolarHBondContact O-N 3.34Å; C287-R290 WeakPolarHBondContact O-CB 3.23Å; C287-R290 PolarHBondContact O-N 3.45Å; C287-H291 PolarHBondContact O-N 2.94Å; C287-H291 VanDerWaalsContact O-N 3.07Å
288Y95.8Very high94.8Very high31 Ų3158.9 Ų58.912%0.12230%0.302CS..Hα-helixtrans-58.1-49.5176.1-172.5-84.7000111.2R280 I283 P284 D285 R290 H291 K292 Y295 D296 F299R280-Y288 VanDerWaalsContact CZ-CD2 3.45Å; R280-Y288 VanDerWaalsContact NH1-CD2 3.28Å; I283-Y288 HydrophobicContact CG2-CD2 4.36Å; P284-Y288 PolarHBondContact O-N 3.09Å; D285-Y288 PolarHBondContact O-N 3.21Å; Y288-R290 VanDerWaalsContact C-N 3.32Å; Y288-R290 PolarHBondContact O-N 3.17Å; Y288-H291 CarbonylContact O-C 3.28Å; Y288-H291 VanDerWaalsContact O-C 3.28Å; Y288-H291 PolarHBondContact O-N 3.14Å; Y288-K292 HydrophobicContact CE1-CG 4.42Å; Y288-K292 WeakPolarHBondContact O-CA 3.25Å; Y288-K292 PolarHBondContact O-N 3.14Å; Y288-Y295 HydrophobicContact CD2-CD2 4.26Å; Y288-Y295 HydrophobicContact CD2-CG 4.09Å; Y288-Y295 HydrophobicContact CE2-CG 4.27Å; Y288-D296 PolarHBondContact OH-OD1 3.37Å; Y288-F299 HydrophobicContact CE2-CD2 4.16Å; Y288-F299 AromaticContact CE2-CE2 3.87Å; Y288-F299 HydrophobicContact CE2-CE2 3.87Å
289E95.8Very high94.8Very high114 Ų11454.4 Ų54.453%0.53328%0.283SS..Hα-helixtrans-65.8-33.9179-69.2-63.3155.100112.2D285 C287 H291 K292D285-E289 PolarHBondContact O-N 2.85Å; C287-E289 PolarHBondContact O-N 3.34Å; E289-H291 VanDerWaalsContact C-N 3.31Å; E289-H291 PolarHBondContact O-N 2.82Å; E289-K292 IonicContact OE1-NZ 3.27Å; E289-K292 IonicContact OE2-NZ 2.78Å; E289-K292 PolarHBondContact OE2-NZ 3.37Å
290R96.3Very high94.6Very high146 Ų14657.6 Ų57.655%0.55131%0.309SS*.Hα-helixtrans-61.9-37.8174.6-172-171.6-58.8164.30.8112.8D258 D286 C287 Y288D258-R290 IonicContact OD1-CZ 3.62Å; D258-R290 IonicContact OD1-NH1 2.78Å; D258-R290 PolarHBondContact OD1-NH1 3.23Å; D258-R290 IonicContact OD2-NH1 3.06Å; D258-R290 PolarHBondContact OD2-NH1 3.36Å; D286-R290 WeakPolarHBondContact O-CB 3.33Å; D286-R290 PolarHBondContact O-N 3.01Å; D286-R290 VanDerWaalsContact O-N 3.1Å; C287-R290 WeakPolarHBondContact O-CB 3.23Å; C287-R290 PolarHBondContact O-N 3.45Å; Y288-R290 VanDerWaalsContact C-N 3.32Å; Y288-R290 PolarHBondContact O-N 3.17Å
291H95.3Very high94.5Very high52 Ų5255 Ų5524%0.24130%0.301CS..THydrogen-bonded Turntrans-117.135.9-177.5-61.2-62.3000112.3D258 P260 C287 Y288 E289 D293 F294 Y295D258-H291 IonicContact OD1-NE2 2.68Å; P260-H291 HydrophobicContact CG-CB 4.05Å; C287-H291 PolarHBondContact O-N 2.94Å; C287-H291 VanDerWaalsContact O-N 3.07Å; Y288-H291 CarbonylContact O-C 3.28Å; Y288-H291 VanDerWaalsContact O-C 3.28Å; Y288-H291 PolarHBondContact O-N 3.14Å; E289-H291 VanDerWaalsContact C-N 3.31Å; E289-H291 PolarHBondContact O-N 2.82Å; H291-D293 PolarHBondContact O-N 3.34Å; H291-F294 WeakPolarHBondContact O-CB 3.48Å; H291-F294 PolarHBondContact O-N 3.35Å; H291-Y295 HydrophobicContact CB-CD2 3.81Å; H291-Y295 HydrophobicContact CB-CE2 3.79Å; H291-Y295 WeakPolarHBondContact O-CD2 3.49Å; H291-Y295 PolarHBondContact O-N 2.96Å
292K94.2Very high94.2Very high82 Ų8251.8 Ų51.836%0.35727%0.268SS..Hα-helixtrans-55.3-51.7-169.5-175.9175.8-163.9144.50113.4Y288 E289 F294 Y295 D296Y288-K292 HydrophobicContact CE1-CG 4.42Å; Y288-K292 WeakPolarHBondContact O-CA 3.25Å; Y288-K292 PolarHBondContact O-N 3.14Å; E289-K292 IonicContact OE1-NZ 3.27Å; E289-K292 IonicContact OE2-NZ 2.78Å; E289-K292 PolarHBondContact OE2-NZ 3.37Å; K292-F294 PolarHBondContact O-N 3.47Å; K292-Y295 PolarHBondContact O-N 3.3Å; K292-Y295 VanDerWaalsContact O-N 3.15Å; K292-D296 WeakPolarHBondContact CG-OD2 3.42Å; K292-D296 WeakPolarHBondContact O-CB 3.43Å; K292-D296 PolarHBondContact O-N 3.41Å
293D93.7Very high93.7Very high139 Ų13953.8 Ų53.874%0.74328%0.279SS*.Hα-helixtrans-58.3-39.9-177.5-62.4-29.6000111.8H291 S297H291-D293 PolarHBondContact O-N 3.34Å; D293-S297 WeakPolarHBondContact O-CB 3.44Å; D293-S297 PolarHBondContact O-N 3.1Å; D293-S297 VanDerWaalsContact O-N 3.08Å
294F95.5Very high92.8Very high11 Ų1159.3 Ų59.35%0.04831%0.309CS..Hα-helixtrans-66.6-49.5176.5171.2-98.2000111.7P260 V263 E264 H291 K292 S297 M298 L350P260-F294 HydrophobicContact CB-CD1 3.68Å; P260-F294 HydrophobicContact CB-CD2 4.14Å; P260-F294 HydrophobicContact CB-CE1 3.85Å; P260-F294 HydrophobicContact CB-CE2 4.3Å; P260-F294 HydrophobicContact CB-CG 3.83Å; P260-F294 HydrophobicContact CB-CZ 4.16Å; P260-F294 HydrophobicContact CG-CD1 4.36Å; P260-F294 WeakPolarHBondContact O-CZ 3.27Å; V263-F294 HydrophobicContact CB-CE1 4Å; V263-F294 HydrophobicContact CB-CZ 3.91Å; V263-F294 HydrophobicContact CG1-CE1 3.97Å; V263-F294 HydrophobicContact CG1-CZ 3.96Å; E264-F294 HydrophobicContact CB-CE2 3.8Å; E264-F294 HydrophobicContact CB-CZ 4.11Å; E264-F294 HydrophobicContact CG-CE2 4.16Å; H291-F294 WeakPolarHBondContact O-CB 3.48Å; H291-F294 PolarHBondContact O-N 3.35Å; K292-F294 PolarHBondContact O-N 3.47Å; F294-S297 WeakPolarHBondContact O-CB 3.24Å; F294-S297 PolarHBondContact O-N 3.32Å; F294-M298 WeakPolarHBondContact O-CB 3.31Å; F294-M298 PolarHBondContact O-N 2.95Å; F294-L350 HydrophobicContact CE2-CD1 4.17Å; F294-L350 HydrophobicContact CE2-CG 4.39Å; F294-L350 HydrophobicContact CZ-CD1 4.38Å
295Y94.6Very high92.1Very high0 Ų061.1 Ų61.10%032%0.319CS..Hα-helixtrans-69-39.4-177.2-79.4-60000112.7Y257 I283 Y288 H291 K292 S297 M298 F299Y257-Y295 VanDerWaalsContact C-OH 3.25Å; Y257-Y295 WeakPolarHBondContact CA-OH 3.23Å; Y257-Y295 PolarHBondContact O-OH 3.08Å; I283-Y295 HydrophobicContact CD1-CD1 3.7Å; I283-Y295 HydrophobicContact CD1-CE1 3.49Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.49Å; I283-Y295 HydrophobicContact CD1-CG 4.46Å; I283-Y295 HydrophobicContact CG1-CE1 4.22Å; I283-Y295 HydrophobicContact CG2-CE2 4.08Å; Y288-Y295 HydrophobicContact CD2-CD2 4.26Å; Y288-Y295 HydrophobicContact CD2-CG 4.09Å; Y288-Y295 HydrophobicContact CE2-CG 4.27Å; H291-Y295 HydrophobicContact CB-CD2 3.81Å; H291-Y295 HydrophobicContact CB-CE2 3.79Å; H291-Y295 WeakPolarHBondContact O-CD2 3.49Å; H291-Y295 PolarHBondContact O-N 2.96Å; K292-Y295 PolarHBondContact O-N 3.3Å; K292-Y295 VanDerWaalsContact O-N 3.15Å; Y295-S297 VanDerWaalsContact C-N 3.33Å; Y295-S297 PolarHBondContact O-N 3.16Å; Y295-M298 HydrophobicContact CD1-CE 4.1Å; Y295-M298 HydrophobicContact CD1-SD 4.29Å; Y295-M298 HydrophobicContact CE1-SD 4.47Å; Y295-M298 WeakPolarHBondContact O-CB 3.39Å; Y295-M298 PolarHBondContact O-N 3.42Å; Y295-F299 WeakPolarHBondContact O-CD2 3.31Å; Y295-F299 PolarHBondContact O-N 2.89Å
296D92.9Very high91.4Very high67 Ų6760.3 Ų60.336%0.35832%0.321SS..Hα-helixtrans-59-46.1173.1-74.7-13.2000110.3Y288 K292 F299 A300Y288-D296 PolarHBondContact OH-OD1 3.37Å; K292-D296 WeakPolarHBondContact CG-OD2 3.42Å; K292-D296 WeakPolarHBondContact O-CB 3.43Å; K292-D296 PolarHBondContact O-N 3.41Å; D296-F299 PolarHBondContact O-N 3.36Å; D296-A300 WeakPolarHBondContact O-CB 3.16Å; D296-A300 PolarHBondContact O-N 3.36Å
297S92.8Very high91.2Very high21 Ų2156.7 Ų56.715%0.14730%0.299CS..Hα-helixtrans-59.3-46.4173.4165.50000112D293 F294 Y295 F299 A300 V301 L350D293-S297 WeakPolarHBondContact O-CB 3.44Å; D293-S297 PolarHBondContact O-N 3.1Å; D293-S297 VanDerWaalsContact O-N 3.08Å; F294-S297 WeakPolarHBondContact O-CB 3.24Å; F294-S297 PolarHBondContact O-N 3.32Å; Y295-S297 VanDerWaalsContact C-N 3.33Å; Y295-S297 PolarHBondContact O-N 3.16Å; S297-F299 PolarHBondContact O-N 3.11Å; S297-A300 PolarHBondContact O-N 3.25Å; S297-V301 PolarHBondContact O-N 3.42Å; S297-L350 WeakPolarHBondContact OG-CA 3.47Å; S297-L350 WeakPolarHBondContact OG-CB 3.49Å; S297-L350 PolarHBondContact OG-N 3.37Å; S297-L350 PolarHBondContact OG-O 2.93Å
298M93.8Very high91.1Very high0 Ų058.8 Ų58.80%031%0.314CS..Hα-helixtrans-59.5-48178.2-172.6-156.869.400112.2L253 V263 V267 W279 F294 Y295 A300 V301 C302 L350L253-M298 HydrophobicContact CD2-CE 4.47Å; L253-M298 HydrophobicContact CD2-SD 4.17Å; V263-M298 HydrophobicContact CG1-SD 3.58Å; V263-M298 VanDerWaalsContact CG1-SD 3.58Å; V267-M298 HydrophobicContact CG2-CG 4.1Å; V267-M298 HydrophobicContact CG2-SD 4.16Å; W279-M298 HydrophobicContact CE3-CE 3.98Å; W279-M298 HydrophobicContact CZ3-CE 4.11Å; W279-M298 HydrophobicContact CZ3-SD 4.49Å; F294-M298 WeakPolarHBondContact O-CB 3.31Å; F294-M298 PolarHBondContact O-N 2.95Å; Y295-M298 HydrophobicContact CD1-CE 4.1Å; Y295-M298 HydrophobicContact CD1-SD 4.29Å; Y295-M298 HydrophobicContact CE1-SD 4.47Å; Y295-M298 WeakPolarHBondContact O-CB 3.39Å; Y295-M298 PolarHBondContact O-N 3.42Å; M298-A300 VanDerWaalsContact C-N 3.3Å; M298-A300 PolarHBondContact O-N 2.68Å; M298-V301 WeakPolarHBondContact O-CG2 3.47Å; M298-V301 PolarHBondContact O-N 2.95Å; M298-C302 WeakPolarHBondContact O-CB 3.47Å; M298-C302 PolarHBondContact O-N 3.44Å; M298-C302 PolarHBondContact O-SG 3.16Å; M298-L350 HydrophobicContact CB-CD1 3.63Å; M298-L350 HydrophobicContact CG-CD1 3.68Å
299F92.6Very high91Very high43 Ų4363.9 Ų63.919%0.18934%0.343CS..Hα-helixtrans-67.7-31.1178.7-78.1-66.2000112.1P275 W279 I283 Y288 Y295 D296 S297 T303P275-F299 HydrophobicContact CB-CD1 4.16Å; P275-F299 HydrophobicContact CB-CE1 4.19Å; P275-F299 HydrophobicContact CG-CD1 4.18Å; W279-F299 HydrophobicContact CB-CE1 3.9Å; W279-F299 HydrophobicContact CB-CZ 4.16Å; W279-F299 HydrophobicContact CE3-CE1 4.03Å; I283-F299 HydrophobicContact CD1-CE2 4.22Å; I283-F299 HydrophobicContact CD1-CZ 4.21Å; Y288-F299 HydrophobicContact CE2-CD2 4.16Å; Y288-F299 AromaticContact CE2-CE2 3.87Å; Y288-F299 HydrophobicContact CE2-CE2 3.87Å; Y295-F299 WeakPolarHBondContact O-CD2 3.31Å; Y295-F299 PolarHBondContact O-N 2.89Å; D296-F299 PolarHBondContact O-N 3.36Å; S297-F299 PolarHBondContact O-N 3.11Å; F299-T303 WeakPolarHBondContact O-CG2 3.46Å
300A90.5Very high90.9Very high68 Ų6863 Ų6356%0.56234%0.341SS*.Hα-helixtrans-69.2-39.2175.700000113D296 S297 M298 T303D296-A300 WeakPolarHBondContact O-CB 3.16Å; D296-A300 PolarHBondContact O-N 3.36Å; S297-A300 PolarHBondContact O-N 3.25Å; M298-A300 VanDerWaalsContact C-N 3.3Å; M298-A300 PolarHBondContact O-N 2.68Å; A300-T303 WeakPolarHBondContact O-CG2 3.38Å
301V90.4Very high90.8Very high19 Ų1956.1 Ų56.112%0.11532%0.315CS..Hα-helixtrans-81.2-28.4178.6-59.60000113.2S297 M298 T303 L350S297-V301 PolarHBondContact O-N 3.42Å; M298-V301 WeakPolarHBondContact O-CG2 3.47Å; M298-V301 PolarHBondContact O-N 2.95Å; V301-T303 VanDerWaalsContact C-N 3.33Å; V301-T303 PolarHBondContact O-N 3.45Å; V301-T303 VanDerWaalsContact O-N 3.16Å; V301-L350 HydrophobicContact CG1-CB 4.24Å; V301-L350 WeakPolarHBondContact CG1-O 3.44Å; V301-L350 HydrophobicContact CG2-CB 3.8Å; V301-L350 HydrophobicContact CG2-CD1 4.16Å
302C89.6Confident90.8Very high5 Ų556.7 Ų56.73%0.03432%0.319CS..SBendtrans-86.873.5175.2-610000109.2P275 W279 M298P275-C302 WeakPolarHBondContact CD-O 3.1Å; P275-C302 HydrophobicContact CG-CB 3.57Å; P275-C302 WeakPolarHBondContact CG-O 3.07Å; W279-C302 HydrophobicContact CZ3-CB 4.4Å; M298-C302 WeakPolarHBondContact O-CB 3.47Å; M298-C302 PolarHBondContact O-N 3.44Å; M298-C302 PolarHBondContact O-SG 3.16Å
303T84.6Confident90.9Very high49 Ų4955.6 Ų55.630%0.30132%0.32SS..SBendtrans-124.9-174.8177.161.50000110.6H272 F299 A300 V301 T305H272-T303 PolarHBondContact CE1-O 3.03Å; F299-T303 WeakPolarHBondContact O-CG2 3.46Å; A300-T303 WeakPolarHBondContact O-CG2 3.38Å; V301-T303 VanDerWaalsContact C-N 3.33Å; V301-T303 PolarHBondContact O-N 3.45Å; V301-T303 VanDerWaalsContact O-N 3.16Å; T303-T305 PolarHBondContact O-N 3.41Å; T303-T305 PolarHBondContact OG1-N 3.01Å; T303-T305 PolarHBondContact OG1-OG1 3.29Å
304N76.8Confident91Very high120 Ų12049.1 Ų49.164%0.64229%0.285SS*.SBendtrans-73.9-2.6174.4-66.6-41.3000112.9K274K274-N304 VanDerWaalsContact CE-OD1 3.23Å; K274-N304 WeakPolarHBondContact CE-OD1 3.23Å; K274-N304 PolarHBondContact NZ-OD1 2.81Å
305T81.8Confident90.9Very high88 Ų8849 Ų4954%0.5429%0.285SS..SBendtrans-89147.5175.159.40000110.7T303T303-T305 PolarHBondContact O-N 3.41Å; T303-T305 PolarHBondContact OG1-N 3.01Å; T303-T305 PolarHBondContact OG1-OG1 3.29Å
306P82Confident91Very high105 Ų10552 Ų5268%0.68231%0.31SS*.PPolyproline II helixtrans-60.9144.4172.226.4-33.1000110.4
307R91.6Very high91.1Very high29 Ų2951.4 Ų51.411%0.10931%0.306CS..PPolyproline II helixtrans-68.7173.3170.7-71.3-164.469.3-179.15.1110.8N268 H311 Y351N268-R307 PolarHBondContact OD1-NH1 3.46Å; R307-H311 HydrophobicContact CB-CB 3.91Å; R307-H311 VanDerWaalsContact CB-CD2 3.47Å; R307-H311 WeakPolarHBondContact CB-CD2 3.29Å; R307-H311 PolarHBondContact NH1-CE1 2.72Å; R307-H311 PolarHBondContact NH1-ND1 3.1Å; R307-Y351 PolarHBondContact NH2-O 2.97Å
308S92.2Very high91.3Very high45 Ų4551.5 Ų51.532%0.31530%0.303SS..PPolyproline II helixtrans-54152.3179.469.30000112.7L310 H311 L312S308-L310 PolarHBondContact O-N 3.05Å; S308-H311 WeakPolarHBondContact O-CB 3.4Å; S308-H311 PolarHBondContact O-N 3.04Å; S308-H311 WeakPolarHBondContact OG-CB 3.21Å; S308-H311 PolarHBondContact OG-N 3.2Å; S308-L312 PolarHBondContact O-N 2.8Å
309L93.9Very high91.3Very high139 Ų13954.3 Ų54.373%0.72833%0.327SS*.Hα-helixtrans-56.7-36.6175-18061.8000111.5L312 T313L309-L312 PolarHBondContact O-N 2.7Å; L309-T313 VanDerWaalsContact O-CB 3.31Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 3.3Å; L309-T313 PolarHBondContact O-OG1 3.35Å
310L94.3Very high91.3Very high96 Ų9655.2 Ų55.250%0.50335%0.348SS..Hα-helixtrans-59.8-45.3175.5-177.463.4000111.5S308 T313 R314 Y341S308-L310 PolarHBondContact O-N 3.05Å; L310-T313 PolarHBondContact O-N 3.14Å; L310-R314 PolarHBondContact O-N 3.34Å; L310-Y341 HydrophobicContact CD1-CE1 4.24Å; L310-Y341 HydrophobicContact CD2-CE1 4.44Å; L310-Y341 HydrophobicContact CG-CE1 3.88Å
311H94.7Very high91.5Very high0 Ų053.8 Ų53.80%033%0.331CS..Hα-helixtrans-61.3-49.9176.2177.178.1000112.5Y270 R307 S308 T313 R314 C315 Y341Y270-H311 PolarHBondContact O-CE1 3.01Å; Y270-H311 PolarHBondContact O-NE2 2.85Å; R307-H311 HydrophobicContact CB-CB 3.91Å; R307-H311 VanDerWaalsContact CB-CD2 3.47Å; R307-H311 WeakPolarHBondContact CB-CD2 3.29Å; R307-H311 PolarHBondContact NH1-CE1 2.72Å; R307-H311 PolarHBondContact NH1-ND1 3.1Å; S308-H311 WeakPolarHBondContact O-CB 3.4Å; S308-H311 PolarHBondContact O-N 3.04Å; S308-H311 WeakPolarHBondContact OG-CB 3.21Å; S308-H311 PolarHBondContact OG-N 3.2Å; H311-T313 VanDerWaalsContact C-N 3.25Å; H311-T313 PolarHBondContact O-N 3.21Å; H311-R314 PolarHBondContact CE1-NH2 3.16Å; H311-R314 PolarHBondContact ND1-NH2 3.07Å; H311-R314 WeakPolarHBondContact O-CB 3.22Å; H311-R314 PolarHBondContact O-N 3.36Å; H311-R314 VanDerWaalsContact O-N 3.16Å; H311-C315 PolarHBondContact O-N 3.26Å; H311-Y341 VanDerWaalsContact CA-OH 3.31Å; H311-Y341 WeakPolarHBondContact CA-OH 3.48Å
312L94.9Very high91.5Very high64 Ų6461 Ų6134%0.33536%0.356SS..Hα-helixtrans-62.3-36.7179.4-63.9177000111.3E271 S308 L309 C315 A316E271-L312 HydrophobicContact CB-CD2 4.45Å; S308-L312 PolarHBondContact O-N 2.8Å; L309-L312 PolarHBondContact O-N 2.7Å; L312-C315 PolarHBondContact O-N 3.44Å; L312-A316 WeakPolarHBondContact O-CB 2.81Å; L312-A316 PolarHBondContact O-N 3.35Å
313T95.4Very high91.3Very high60 Ų6062 Ų6237%0.36837%0.368SS..Hα-helixtrans-63.6-43.4174.9-57.20000111.3L309 L310 H311 C315 A316 I317L309-T313 VanDerWaalsContact O-CB 3.31Å; L309-T313 WeakPolarHBondContact O-CB 3.41Å; L309-T313 PolarHBondContact O-N 3.3Å; L309-T313 PolarHBondContact O-OG1 3.35Å; L310-T313 PolarHBondContact O-N 3.14Å; H311-T313 VanDerWaalsContact C-N 3.25Å; H311-T313 PolarHBondContact O-N 3.21Å; T313-C315 PolarHBondContact O-N 2.97Å; T313-A316 PolarHBondContact O-N 3.45Å; T313-I317 HydrophobicContact CG2-CD1 3.81Å; T313-I317 HydrophobicContact CG2-CG1 4.37Å; T313-I317 VanDerWaalsContact O-CG1 3.32Å; T313-I317 WeakPolarHBondContact O-CG1 3.41Å; T313-I317 PolarHBondContact O-N 2.87Å
314R95.2Very high91.5Very high3 Ų366.9 Ų66.91%0.01139%0.385CS..Hα-helixtrans-57.6-48.5173.1166.6-18067.1167.4-1.8111.7N268 L310 H311 A316 I317 R318 Y341 L342N268-R314 VanDerWaalsContact CB-NH1 3.27Å; N268-R314 VanDerWaalsContact CG-NH1 3.28Å; N268-R314 PolarHBondContact ND2-NH1 3.41Å; N268-R314 PolarHBondContact O-NH2 3.3Å; N268-R314 PolarHBondContact OD1-NH2 3.44Å; L310-R314 PolarHBondContact O-N 3.34Å; H311-R314 PolarHBondContact CE1-NH2 3.16Å; H311-R314 PolarHBondContact ND1-NH2 3.07Å; H311-R314 WeakPolarHBondContact O-CB 3.22Å; H311-R314 PolarHBondContact O-N 3.36Å; H311-R314 VanDerWaalsContact O-N 3.16Å; R314-A316 VanDerWaalsContact C-N 3.32Å; R314-A316 PolarHBondContact O-N 2.99Å; R314-I317 PolarHBondContact O-N 3.16Å; R314-R318 HydrophobicContact CG-CG 4.38Å; R314-R318 WeakPolarHBondContact O-CB 3.39Å; R314-R318 VanDerWaalsContact O-CG 3.27Å; R314-R318 WeakPolarHBondContact O-CG 3.39Å; R314-R318 PolarHBondContact O-N 3.03Å; R314-Y341 HydrophobicContact CB-CD1 4.16Å; R314-Y341 HydrophobicContact CB-CE1 3.54Å; R314-Y341 WeakPolarHBondContact CD-O 3.1Å; R314-Y341 HydrophobicContact CG-CD1 4.43Å; R314-Y341 HydrophobicContact CG-CE1 4.12Å; R314-L342 HydrophobicContact CB-CD2 3.99Å; R314-L342 HydrophobicContact CG-CD2 4.02Å
315C94.8Very high92.2Very high7 Ų761.2 Ų61.25%0.04736%0.355CS..Hα-helixtrans-60.6-43.1179.2-66.40000111.6E271 H311 L312 T313 R318 A319E271-C315 HydrophobicContact CG-CB 3.49Å; E271-C315 VanDerWaalsContact CG-CB 3.49Å; H311-C315 PolarHBondContact O-N 3.26Å; L312-C315 PolarHBondContact O-N 3.44Å; T313-C315 PolarHBondContact O-N 2.97Å; C315-R318 PolarHBondContact O-N 3.16Å; C315-A319 VanDerWaalsContact O-CB 3.29Å; C315-A319 WeakPolarHBondContact O-CB 3.48Å; C315-A319 PolarHBondContact O-N 2.9Å
316A95.8Very high92.6Very high63 Ų6359.5 Ų59.552%0.52134%0.34SS..Hα-helixtrans-63-45.3177.800000112.6L312 T313 R314 A319 G320L312-A316 WeakPolarHBondContact O-CB 2.81Å; L312-A316 PolarHBondContact O-N 3.35Å; T313-A316 PolarHBondContact O-N 3.45Å; R314-A316 VanDerWaalsContact C-N 3.32Å; R314-A316 PolarHBondContact O-N 2.99Å; A316-A319 PolarHBondContact O-N 2.79Å; A316-G320 PolarHBondContact O-N 3.18Å
317I95.7Very high93Very high56 Ų5661.2 Ų61.229%0.28733%0.333SS..Hα-helixtrans-60.7-48.4176.7-70167.8000110.3T313 R314 A319 G320 L321 L332 L342T313-I317 HydrophobicContact CG2-CD1 3.81Å; T313-I317 HydrophobicContact CG2-CG1 4.37Å; T313-I317 VanDerWaalsContact O-CG1 3.32Å; T313-I317 WeakPolarHBondContact O-CG1 3.41Å; T313-I317 PolarHBondContact O-N 2.87Å; R314-I317 PolarHBondContact O-N 3.16Å; I317-A319 VanDerWaalsContact C-N 3.35Å; I317-A319 PolarHBondContact O-N 3.42Å; I317-G320 PolarHBondContact O-N 3.41Å; I317-G320 VanDerWaalsContact O-N 3.13Å; I317-L321 HydrophobicContact CG2-CD1 3.89Å; I317-L321 HydrophobicContact CG2-CG 4.4Å; I317-L321 WeakPolarHBondContact O-CG 2.92Å; I317-L321 PolarHBondContact O-N 3.48Å; I317-L332 HydrophobicContact CG2-CD1 4.36Å; I317-L342 HydrophobicContact CB-CD2 4.09Å; I317-L342 HydrophobicContact CD1-CD1 4.46Å; I317-L342 HydrophobicContact CD1-CD2 3.93Å; I317-L342 HydrophobicContact CG2-CD1 4.21Å; I317-L342 HydrophobicContact CG2-CD2 4.02Å
318R96.1Very high93Very high22 Ų2260.4 Ų60.48%0.08333%0.334CS..Hα-helixtrans-61.6-41.7178.2-69.6174.862.9765.5112.1L237 N238 R314 C315 G320 L321 R322 C325 L342 L344L237-R318 PolarHBondContact O-NH2 3.4Å; N238-R318 PolarHBondContact OD1-NH1 2.94Å; N238-R318 PolarHBondContact OD1-NH2 3.01Å; R314-R318 HydrophobicContact CG-CG 4.38Å; R314-R318 WeakPolarHBondContact O-CB 3.39Å; R314-R318 VanDerWaalsContact O-CG 3.27Å; R314-R318 WeakPolarHBondContact O-CG 3.39Å; R314-R318 PolarHBondContact O-N 3.03Å; C315-R318 PolarHBondContact O-N 3.16Å; R318-G320 VanDerWaalsContact C-N 3.27Å; R318-G320 PolarHBondContact O-N 3.14Å; R318-L321 PolarHBondContact O-N 3.05Å; R318-R322 PolarHBondContact O-N 3.09Å; R318-C325 PolarHBondContact O-SG 3.16Å; R318-L342 WeakPolarHBondContact CD-O 3.49Å; R318-L342 PolarHBondContact NH1-O 2.82Å; R318-L344 VanDerWaalsContact CZ-CD1 3.47Å; R318-L344 VanDerWaalsContact NH2-CD1 3.28Å
319A93.4Very high93.1Very high60 Ų6058.2 Ų58.250%0.49632%0.319SS..Hα-helixtrans-62.3-35.4175.400000112.2C315 A316 I317 R322C315-A319 VanDerWaalsContact O-CB 3.29Å; C315-A319 WeakPolarHBondContact O-CB 3.48Å; C315-A319 PolarHBondContact O-N 2.9Å; A316-A319 PolarHBondContact O-N 2.79Å; I317-A319 VanDerWaalsContact C-N 3.35Å; I317-A319 PolarHBondContact O-N 3.42Å; A319-R322 WeakPolarHBondContact O-CG 3.36Å
320G94.2Very high93Very high61 Ų6155.9 Ų55.963%0.62931%0.307SS*.Hα-helixtrans-67.6-42.5172.800000113.3A316 I317 R318A316-G320 PolarHBondContact O-N 3.18Å; I317-G320 PolarHBondContact O-N 3.41Å; I317-G320 VanDerWaalsContact O-N 3.13Å; R318-G320 VanDerWaalsContact C-N 3.27Å; R318-G320 PolarHBondContact O-N 3.14Å
321L93.6Very high92.9Very high39 Ų3958.9 Ų58.920%0.20432%0.318CS..Hα-helixtrans-75.9-24.8-179.6-67.7175.2000113.7I317 R318 G323 F324 V329I317-L321 HydrophobicContact CG2-CD1 3.89Å; I317-L321 HydrophobicContact CG2-CG 4.4Å; I317-L321 WeakPolarHBondContact O-CG 2.92Å; I317-L321 PolarHBondContact O-N 3.48Å; R318-L321 PolarHBondContact O-N 3.05Å; L321-G323 PolarHBondContact O-N 3.24Å; L321-F324 WeakPolarHBondContact O-CB 3.37Å; L321-F324 PolarHBondContact O-N 2.68Å; L321-V329 HydrophobicContact CD1-CG2 3.64Å
322R90.3Very high92.9Very high170 Ų17061.3 Ų61.364%0.64233%0.331SS*.G310 helixtrans51.8-130-179.1-56.6-177.7177.6-173.70111.5R318 A319 F324 C325R318-R322 PolarHBondContact O-N 3.09Å; A319-R322 WeakPolarHBondContact O-CG 3.36Å; R322-F324 PolarHBondContact O-N 2.81Å; R322-F324 VanDerWaalsContact O-N 3.16Å; R322-C325 PolarHBondContact O-N 3.19Å; R322-C325 PolarHBondContact O-SG 3.14Å
323G86.2Confident92.9Very high27 Ų2764.6 Ų64.628%0.27836%0.356SS..G310 helixtrans-68.7-5.617900000114.4L321L321-G323 PolarHBondContact O-N 3.24Å
324F88.7Confident92.9Very high150 Ų15064.7 Ų64.766%0.65835%0.354SS*.G310 helixtrans-93.613176.8-57.7-81.7000112.7L321 R322 Q326 R327 G328L321-F324 WeakPolarHBondContact O-CB 3.37Å; L321-F324 PolarHBondContact O-N 2.68Å; R322-F324 PolarHBondContact O-N 2.81Å; R322-F324 VanDerWaalsContact O-N 3.16Å; F324-Q326 VanDerWaalsContact C-N 3.29Å; F324-Q326 PolarHBondContact O-N 2.89Å; F324-R327 PolarHBondContact O-N 3.21Å; F324-G328 VanDerWaalsContact O-CA 3.23Å; F324-G328 WeakPolarHBondContact O-CA 3.21Å; F324-G328 PolarHBondContact O-N 3.01Å
325C91.6Very high92.9Very high2 Ų268.2 Ų68.21%0.01438%0.377CS..Hα-helixtrans-57.1-44.6-178.5-66.60000111.5N238 R318 R322 V329N238-C325 HydrophobicContact CB-CB 4.45Å; N238-C325 VanDerWaalsContact O-CB 3.29Å; N238-C325 WeakPolarHBondContact O-CB 3.29Å; N238-C325 PolarHBondContact O-N 3.06Å; R318-C325 PolarHBondContact O-SG 3.16Å; R322-C325 PolarHBondContact O-N 3.19Å; R322-C325 PolarHBondContact O-SG 3.14Å; C325-V329 VanDerWaalsContact O-CB 3.31Å; C325-V329 WeakPolarHBondContact O-CB 3.46Å; C325-V329 WeakPolarHBondContact O-CG2 3.42Å; C325-V329 PolarHBondContact O-N 3.03Å
326Q88.9Confident92.9Very high51 Ų5171.8 Ų71.824%0.23840%0.402CS..Hα-helixtrans-56.6-58.2-178.9-166.467.325.100111.8N238 Y239 F324N238-Q326 HydrophobicContact CB-CB 4.4Å; N238-Q326 PolarHBondContact ND2-OE1 2.8Å; Y239-Q326 HydrophobicContact CE2-CB 4.01Å; Y239-Q326 HydrophobicContact CE2-CG 4.22Å; F324-Q326 VanDerWaalsContact C-N 3.29Å; F324-Q326 PolarHBondContact O-N 2.89Å
327R90.9Very high92.8Very high142 Ų14273.3 Ų73.354%0.53641%0.405SS..Hα-helixtrans-77.8-29.1-177.5-64.6-176-178.3172.44.2113.9E198 F324 Q331E198-R327 PolarHBondContact O-NH2 2.9Å; F324-R327 PolarHBondContact O-N 3.21Å; R327-Q331 WeakPolarHBondContact O-CG 3.44Å; R327-Q331 PolarHBondContact O-NE2 2.83Å
328G92Very high92.7Very high11 Ų1173.8 Ų73.811%0.11341%0.408CS..Hα-helixtrans-76.6-40.6-174.800000112.2F324 D330 Q331 L332F324-G328 VanDerWaalsContact O-CA 3.23Å; F324-G328 WeakPolarHBondContact O-CA 3.21Å; F324-G328 PolarHBondContact O-N 3.01Å; G328-D330 VanDerWaalsContact C-N 3.29Å; G328-D330 PolarHBondContact O-N 3.44Å; G328-Q331 PolarHBondContact O-N 3.48Å; G328-L332 PolarHBondContact O-N 3.47Å
329V93.8Very high92.7Very high0 Ų075 Ų750%041%0.414CS..Hα-helixtrans-63.1-37.7176.3172.20000111.2L321 C325 Q331 L332 K339 L342 L343L321-V329 HydrophobicContact CD1-CG2 3.64Å; C325-V329 VanDerWaalsContact O-CB 3.31Å; C325-V329 WeakPolarHBondContact O-CB 3.46Å; C325-V329 WeakPolarHBondContact O-CG2 3.42Å; C325-V329 PolarHBondContact O-N 3.03Å; V329-Q331 PolarHBondContact O-N 3.23Å; V329-L332 WeakPolarHBondContact O-CB 3.48Å; V329-L332 PolarHBondContact O-N 3.22Å; V329-L332 VanDerWaalsContact O-N 3.08Å; V329-K339 HydrophobicContact CG1-CB 3.76Å; V329-K339 HydrophobicContact CG1-CG 3.87Å; V329-K339 WeakPolarHBondContact O-CE 3.33Å; V329-L342 HydrophobicContact CG1-CB 3.95Å; V329-L342 HydrophobicContact CG1-CD1 4.12Å; V329-L342 HydrophobicContact CG2-CB 3.88Å; V329-L342 HydrophobicContact CG2-CD1 4.25Å; V329-L343 HydrophobicContact CB-CD2 3.93Å; V329-L343 HydrophobicContact CB-CG 4.12Å; V329-L343 HydrophobicContact CG1-CD1 4.31Å; V329-L343 HydrophobicContact CG1-CD2 4.33Å; V329-L343 HydrophobicContact CG1-CG 3.95Å; V329-L343 HydrophobicContact CG2-CD2 4.03Å; V329-L343 HydrophobicContact CG2-CG 4.42Å
330D91.4Very high92.8Very high89 Ų8976.6 Ų76.648%0.47641%0.409SS..Hα-helixtrans-59.5-31.4177.6-72.1-22.6000112.9G328 K339G328-D330 VanDerWaalsContact C-N 3.29Å; G328-D330 PolarHBondContact O-N 3.44Å; D330-K339 PolarHBondContact O-NZ 3.25Å
331Q93.7Very high92.8Very high160 Ų16075.1 Ų75.175%0.74839%0.385SS*.Hα-helixtrans-84.3-12.6179.9-64.5173.340.100113.6R327 G328 V329R327-Q331 WeakPolarHBondContact O-CG 3.44Å; R327-Q331 PolarHBondContact O-NE2 2.83Å; G328-Q331 PolarHBondContact O-N 3.48Å; V329-Q331 PolarHBondContact O-N 3.23Å
332L93.8Very high93Very high51 Ų5173.6 Ų73.627%0.26738%0.377SS..SBendtrans-70141.2178.6-63.8176.9000110.8I317 G328 V329 L334 K339 L342I317-L332 HydrophobicContact CG2-CD1 4.36Å; G328-L332 PolarHBondContact O-N 3.47Å; V329-L332 WeakPolarHBondContact O-CB 3.48Å; V329-L332 PolarHBondContact O-N 3.22Å; V329-L332 VanDerWaalsContact O-N 3.08Å; L332-L334 HydrophobicContact CB-CD1 3.91Å; L332-L334 HydrophobicContact CB-CG 3.97Å; L332-L334 HydrophobicContact CD1-CD1 3.84Å; L332-L334 PolarHBondContact O-N 3.34Å; L332-K339 WeakPolarHBondContact O-CE 3.5Å; L332-K339 PolarHBondContact O-NZ 2.96Å; L332-K339 VanDerWaalsContact O-NZ 3.08Å; L332-L342 HydrophobicContact CD1-CD1 3.98Å
333P95.4Very high93.2Very high132 Ų13266 Ų6686%0.85735%0.349SS*.SBendtrans-78.258.6176.334.4-36.5000110.9
334L95.1Very high93.7Very high62 Ų6264.8 Ų64.833%0.32534%0.336SS..  trans-116.5150.2-178.4-64.1174.9000111.1L332 L338 K339 L342L332-L334 HydrophobicContact CB-CD1 3.91Å; L332-L334 HydrophobicContact CB-CG 3.97Å; L332-L334 HydrophobicContact CD1-CD1 3.84Å; L332-L334 PolarHBondContact O-N 3.34Å; L334-L338 HydrophobicContact CB-CB 4.31Å; L334-L338 HydrophobicContact CD2-CD1 4.36Å; L334-K339 HydrophobicContact CB-CG 4.23Å; L334-K339 VanDerWaalsContact O-CE 3.25Å; L334-K339 WeakPolarHBondContact O-CE 3.35Å; L334-L342 HydrophobicContact CD1-CD1 3.56Å
335P96.3Very high94Very high78 Ų7860.9 Ų60.951%0.50632%0.32SS..  trans-54.8152.4167.6-2433.1000112.5T337 L338 K339P335-T337 VanDerWaalsContact C-N 3.26Å; P335-T337 PolarHBondContact O-N 2.9Å; P335-L338 PolarHBondContact O-N 3.44Å; P335-L338 VanDerWaalsContact O-N 3.11Å; P335-K339 PolarHBondContact O-N 3.31Å; P335-K339 VanDerWaalsContact O-N 3.1Å
336S94Very high94Very high82 Ų8262.6 Ų62.657%0.57333%0.332SS*.Hα-helixtrans-56.1-39.4-179.454.90000112.8L338 K339 K340S336-L338 PolarHBondContact O-N 2.56Å; S336-K339 WeakPolarHBondContact O-CB 3.33Å; S336-K339 PolarHBondContact O-N 2.78Å; S336-K339 VanDerWaalsContact O-N 3.16Å; S336-K340 VanDerWaalsContact O-CG 3.24Å; S336-K340 WeakPolarHBondContact O-CG 3.16Å; S336-K340 PolarHBondContact O-N 3.14Å
337T93.6Very high93.9Very high94 Ų9465.3 Ų65.358%0.57734%0.344SS*.Hα-helixtrans-58.7-44177.351.50000112.5P335 K340 Y341P335-T337 VanDerWaalsContact C-N 3.26Å; P335-T337 PolarHBondContact O-N 2.9Å; T337-K340 PolarHBondContact O-N 2.81Å; T337-Y341 WeakPolarHBondContact O-CB 3.44Å; T337-Y341 PolarHBondContact O-N 3.44Å
338L94.7Very high93.3Very high66 Ų6660.3 Ų60.335%0.34634%0.337SS..Hα-helixtrans-70.7-32.3176.5-70.7-177.1000112.3L334 P335 S336 Y341 L342L334-L338 HydrophobicContact CB-CB 4.31Å; L334-L338 HydrophobicContact CD2-CD1 4.36Å; P335-L338 PolarHBondContact O-N 3.44Å; P335-L338 VanDerWaalsContact O-N 3.11Å; S336-L338 PolarHBondContact O-N 2.56Å; L338-Y341 PolarHBondContact O-N 3.49Å; L338-L342 WeakPolarHBondContact O-CB 3.13Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.42Å; L338-L342 PolarHBondContact O-N 3.26Å
339K95.9Very high92.5Very high47 Ų4763.8 Ų63.820%0.20435%0.352CS..Hα-helixtrans-63.4-48.1173.5-68.6-174.3176.7-1770111.3V329 D330 L332 L334 P335 S336 Y341 L342 L343V329-K339 HydrophobicContact CG1-CB 3.76Å; V329-K339 HydrophobicContact CG1-CG 3.87Å; V329-K339 WeakPolarHBondContact O-CE 3.33Å; D330-K339 PolarHBondContact O-NZ 3.25Å; L332-K339 WeakPolarHBondContact O-CE 3.5Å; L332-K339 PolarHBondContact O-NZ 2.96Å; L332-K339 VanDerWaalsContact O-NZ 3.08Å; L334-K339 HydrophobicContact CB-CG 4.23Å; L334-K339 VanDerWaalsContact O-CE 3.25Å; L334-K339 WeakPolarHBondContact O-CE 3.35Å; P335-K339 PolarHBondContact O-N 3.31Å; P335-K339 VanDerWaalsContact O-N 3.1Å; S336-K339 WeakPolarHBondContact O-CB 3.33Å; S336-K339 PolarHBondContact O-N 2.78Å; S336-K339 VanDerWaalsContact O-N 3.16Å; K339-Y341 VanDerWaalsContact C-N 3.32Å; K339-Y341 PolarHBondContact O-N 3.08Å; K339-L342 PolarHBondContact O-N 3.19Å; K339-L342 VanDerWaalsContact O-N 3.16Å; K339-L343 WeakPolarHBondContact O-CB 3.2Å; K339-L343 WeakPolarHBondContact O-CG 3.04Å; K339-L343 PolarHBondContact O-N 3.03Å
340K95Very high91.8Very high94 Ų9464 Ų6441%0.40935%0.353SS..Hα-helixtrans-56-46.5174.9-66.3173.2157.6-910111.5S336 T337 L342 L343 L344 E345S336-K340 VanDerWaalsContact O-CG 3.24Å; S336-K340 WeakPolarHBondContact O-CG 3.16Å; S336-K340 PolarHBondContact O-N 3.14Å; T337-K340 PolarHBondContact O-N 2.81Å; K340-L342 PolarHBondContact O-N 2.53Å; K340-L343 CarbonylContact O-C 3.4Å; K340-L343 PolarHBondContact O-N 3.38Å; K340-L343 VanDerWaalsContact O-N 3.16Å; K340-L344 PolarHBondContact O-N 2.68Å; K340-E345 HydrophobicContact CB-CB 4.11Å; K340-E345 HydrophobicContact CB-CG 4.18Å; K340-E345 WeakPolarHBondContact CD-OE2 3.2Å; K340-E345 VanDerWaalsContact CG-CD 3.47Å; K340-E345 WeakPolarHBondContact CG-OE1 3.45Å; K340-E345 VanDerWaalsContact CG-OE2 3.23Å; K340-E345 WeakPolarHBondContact CG-OE2 3.44Å; K340-E345 IonicContact NZ-OE1 2.97Å; K340-E345 IonicContact NZ-OE2 2.68Å; K340-E345 PolarHBondContact NZ-OE2 3.1Å; K340-E345 PolarHBondContact O-N 3.32Å
341Y94.8Very high90.6Very high31 Ų3168.4 Ų68.412%0.12236%0.364CS..Hα-helixtrans-59-44.3175.7-179-105.7000113.1L310 H311 R314 T337 L338 K339 L343 L344L310-Y341 HydrophobicContact CD1-CE1 4.24Å; L310-Y341 HydrophobicContact CD2-CE1 4.44Å; L310-Y341 HydrophobicContact CG-CE1 3.88Å; H311-Y341 VanDerWaalsContact CA-OH 3.31Å; H311-Y341 WeakPolarHBondContact CA-OH 3.48Å; R314-Y341 HydrophobicContact CB-CD1 4.16Å; R314-Y341 HydrophobicContact CB-CE1 3.54Å; R314-Y341 WeakPolarHBondContact CD-O 3.1Å; R314-Y341 HydrophobicContact CG-CD1 4.43Å; R314-Y341 HydrophobicContact CG-CE1 4.12Å; T337-Y341 WeakPolarHBondContact O-CB 3.44Å; T337-Y341 PolarHBondContact O-N 3.44Å; L338-Y341 PolarHBondContact O-N 3.49Å; K339-Y341 VanDerWaalsContact C-N 3.32Å; K339-Y341 PolarHBondContact O-N 3.08Å; Y341-L343 VanDerWaalsContact C-N 3.32Å; Y341-L343 PolarHBondContact O-N 2.91Å; Y341-L344 PolarHBondContact O-N 3.24Å
342L95.9Very high90.4Very high6 Ų663.9 Ų63.93%0.03135%0.345CS..Hα-helixtrans-66.8-32.1176.8-72.2176.1000112.7R314 I317 R318 V329 L332 L334 L338 K339 K340 L344R314-L342 HydrophobicContact CB-CD2 3.99Å; R314-L342 HydrophobicContact CG-CD2 4.02Å; I317-L342 HydrophobicContact CB-CD2 4.09Å; I317-L342 HydrophobicContact CD1-CD1 4.46Å; I317-L342 HydrophobicContact CD1-CD2 3.93Å; I317-L342 HydrophobicContact CG2-CD1 4.21Å; I317-L342 HydrophobicContact CG2-CD2 4.02Å; R318-L342 WeakPolarHBondContact CD-O 3.49Å; R318-L342 PolarHBondContact NH1-O 2.82Å; V329-L342 HydrophobicContact CG1-CB 3.95Å; V329-L342 HydrophobicContact CG1-CD1 4.12Å; V329-L342 HydrophobicContact CG2-CB 3.88Å; V329-L342 HydrophobicContact CG2-CD1 4.25Å; L332-L342 HydrophobicContact CD1-CD1 3.98Å; L334-L342 HydrophobicContact CD1-CD1 3.56Å; L338-L342 WeakPolarHBondContact O-CB 3.13Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.42Å; L338-L342 PolarHBondContact O-N 3.26Å; K339-L342 PolarHBondContact O-N 3.19Å; K339-L342 VanDerWaalsContact O-N 3.16Å; K340-L342 PolarHBondContact O-N 2.53Å; L342-L344 PolarHBondContact O-N 3.15Å
343L96.1Very high90.2Very high11 Ų1164.5 Ų64.56%0.05835%0.349CS..THydrogen-bonded Turntrans-83.88.2178.2-68.9175.6000113.8Q234 N238 V329 K339 K340 Y341 E345Q234-L343 VanDerWaalsContact CG-O 3.23Å; Q234-L343 WeakPolarHBondContact CG-O 3.42Å; Q234-L343 PolarHBondContact NE2-O 3.43Å; N238-L343 PolarHBondContact ND2-O 3.25Å; N238-L343 PolarHBondContact OD1-O 3.07Å; V329-L343 HydrophobicContact CB-CD2 3.93Å; V329-L343 HydrophobicContact CB-CG 4.12Å; V329-L343 HydrophobicContact CG1-CD1 4.31Å; V329-L343 HydrophobicContact CG1-CD2 4.33Å; V329-L343 HydrophobicContact CG1-CG 3.95Å; V329-L343 HydrophobicContact CG2-CD2 4.03Å; V329-L343 HydrophobicContact CG2-CG 4.42Å; K339-L343 WeakPolarHBondContact O-CB 3.2Å; K339-L343 WeakPolarHBondContact O-CG 3.04Å; K339-L343 PolarHBondContact O-N 3.03Å; K340-L343 CarbonylContact O-C 3.4Å; K340-L343 PolarHBondContact O-N 3.38Å; K340-L343 VanDerWaalsContact O-N 3.16Å; Y341-L343 VanDerWaalsContact C-N 3.32Å; Y341-L343 PolarHBondContact O-N 2.91Å; L343-E345 VanDerWaalsContact C-N 3.3Å; L343-E345 PolarHBondContact O-N 3.43Å
344L95.8Very high89.9Confident1 Ų160.8 Ų60.81%0.00532%0.321CS..THydrogen-bonded Turntrans59.236.3-178.2-53173.1000112.8Q234 L237 I265 N268 R318 K340 Y341 L342Q234-L344 HydrophobicContact CG-CB 4.42Å; Q234-L344 VanDerWaalsContact NE2-C 3.34Å; Q234-L344 PolarHBondContact NE2-O 3.48Å; L237-L344 HydrophobicContact CB-CD1 3.91Å; L237-L344 HydrophobicContact CD1-CD1 3.94Å; I265-L344 WeakPolarHBondContact CG1-O 3.32Å; I265-L344 HydrophobicContact CG2-CB 4.28Å; I265-L344 HydrophobicContact CG2-CD1 4.26Å; N268-L344 HydrophobicContact CB-CD2 3.81Å; R318-L344 VanDerWaalsContact CZ-CD1 3.47Å; R318-L344 VanDerWaalsContact NH2-CD1 3.28Å; K340-L344 PolarHBondContact O-N 2.68Å; Y341-L344 PolarHBondContact O-N 3.24Å; L342-L344 PolarHBondContact O-N 3.15Å
345E94.4Very high89.6Confident68 Ų6860.7 Ų60.732%0.31832%0.321SS..  trans-65.8129.8167-73.4-174.7-154.600109.2K340 L343K340-E345 HydrophobicContact CB-CB 4.11Å; K340-E345 HydrophobicContact CB-CG 4.18Å; K340-E345 WeakPolarHBondContact CD-OE2 3.2Å; K340-E345 VanDerWaalsContact CG-CD 3.47Å; K340-E345 WeakPolarHBondContact CG-OE1 3.45Å; K340-E345 VanDerWaalsContact CG-OE2 3.23Å; K340-E345 WeakPolarHBondContact CG-OE2 3.44Å; K340-E345 IonicContact NZ-OE1 2.97Å; K340-E345 IonicContact NZ-OE2 2.68Å; K340-E345 PolarHBondContact NZ-OE2 3.1Å; K340-E345 PolarHBondContact O-N 3.32Å; L343-E345 VanDerWaalsContact C-N 3.3Å; L343-E345 PolarHBondContact O-N 3.43Å
346P91.7Very high89.2Confident39 Ų3959.6 Ų59.625%0.25331%0.309SS..  trans-72.3136.1-177.928.5-32.9000111.1Q261 E264 I265Q261-P346 HydrophobicContact CB-CB 3.82Å; Q261-P346 HydrophobicContact CB-CG 3.94Å; Q261-P346 HydrophobicContact CG-CB 3.98Å; Q261-P346 HydrophobicContact CG-CG 4.12Å; E264-P346 WeakPolarHBondContact OE1-CA 3.48Å; E264-P346 WeakPolarHBondContact OE2-CB 3.34Å; I265-P346 HydrophobicContact CD1-CG 4.25Å; I265-P346 HydrophobicContact CG1-CB 4.37Å
347E87.1Confident88.9Confident107 Ų10758.1 Ų58.150%0.529%0.292SS..  trans-105.5-12.5178.2-65.3-179.6176.300112.2E264E264-E347 PolarHBondContact OE1-N 2.9Å; E264-E347 PolarHBondContact OE2-N 3.48Å
348G78.8Confident88.6Confident37 Ų3755.6 Ų55.638%0.38127%0.271SS..SBendtrans89-6-178.700000114.6E264E264-G348 WeakPolarHBondContact OE2-CA 3.14Å; E264-G348 PolarHBondContact OE2-N 3.03Å
349I74.9Confident88.1Confident84 Ų8454.8 Ų54.843%0.43127%0.266SS..SBendtrans-141141.5179-58177.6000109.4Y351I349-Y351 HydrophobicContact CG2-CE1 4.29Å
350L80Confident87.4Confident6 Ų655.4 Ų55.43%0.03127%0.271CS..  trans-99.9118.8175.8-67.8164.3000110.5E264 V267 N268 F294 S297 M298 V301E264-L350 HydrophobicContact CG-CD2 3.57Å; E264-L350 HydrophobicContact CG-CG 4.02Å; V267-L350 HydrophobicContact CB-CD1 4.47Å; V267-L350 HydrophobicContact CG1-CD1 4.1Å; V267-L350 HydrophobicContact CG1-CD2 4.4Å; N268-L350 WeakPolarHBondContact OD1-CD2 3.46Å; F294-L350 HydrophobicContact CE2-CD1 4.17Å; F294-L350 HydrophobicContact CE2-CG 4.39Å; F294-L350 HydrophobicContact CZ-CD1 4.38Å; S297-L350 WeakPolarHBondContact OG-CA 3.47Å; S297-L350 WeakPolarHBondContact OG-CB 3.49Å; S297-L350 PolarHBondContact OG-N 3.37Å; S297-L350 PolarHBondContact OG-O 2.93Å; M298-L350 HydrophobicContact CB-CD1 3.63Å; M298-L350 HydrophobicContact CG-CD1 3.68Å; V301-L350 HydrophobicContact CG1-CB 4.24Å; V301-L350 WeakPolarHBondContact CG1-O 3.44Å; V301-L350 HydrophobicContact CG2-CB 3.8Å; V301-L350 HydrophobicContact CG2-CD1 4.16Å
351Y64.8Low86.7Confident181 Ų18151.9 Ų51.971%0.7126%0.258SS*.  trans-92.60176.8-59.8-73.7000114.6R307 I349R307-Y351 PolarHBondContact NH2-O 2.97Å; I349-Y351 HydrophobicContact CG2-CE1 4.29Å

Retrieved 351 of 351 residues in 629.2 ms (Link to these results)

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