A0A087XYX1_POEFO Loading...

Arginine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A087XYX1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 663 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.2Very low51.3Low200 Ų20087.5 Ų87.599%0.98548%0.477SS*.  047.50-62.5-176.7-176.800109.9A189 T190M1-A189 CarbonylContact O-C 3.54Å; M1-T190 VanDerWaalsContact CA-CG2 3.47Å; M1-T190 HydrophobicContact CB-CG2 3.96Å; M1-T190 VanDerWaalsContact O-CA 3.26Å; M1-T190 WeakPolarHBondContact O-CA 3.35Å; M1-T190 WeakPolarHBondContact O-CB 3.34Å; M1-T190 WeakPolarHBondContact O-CG2 3.5Å
2G38.8Very low52.5Low40 Ų4082.8 Ų82.841%0.41245%0.451SS..  37.999.1116.600000110.6P4 T190G2-P4 VanDerWaalsContact O-CD 3.23Å; G2-P4 WeakPolarHBondContact O-CD 3.38Å; G2-T190 VanDerWaalsContact N-CB 3.34Å
3D44.1Very low53.8Low47 Ų4782.2 Ų82.225%0.25144%0.443SS..  trans-46.3117.1171.2-165.2-21.9000106.4V5 T6 E7 A189D3-V5 PolarHBondContact O-N 3.49Å; D3-V5 VanDerWaalsContact O-N 3.12Å; D3-V5 WeakPolarHBondContact OD1-CB 3.4Å; D3-V5 WeakPolarHBondContact OD1-CG2 3.49Å; D3-V5 PolarHBondContact OD1-N 3.44Å; D3-T6 WeakPolarHBondContact CB-OG1 3.44Å; D3-T6 PolarHBondContact O-N 3.49Å; D3-T6 PolarHBondContact OD2-OG1 3.12Å; D3-E7 PolarHBondContact O-N 3.38Å; D3-A189 VanDerWaalsContact CA-CB 3.42Å; D3-A189 HydrophobicContact CB-CB 3.16Å; D3-A189 VanDerWaalsContact CG-CB 3.47Å
4P47.5Very low55.2Low73 Ų7384.4 Ų84.447%0.47445%0.449SS..Hα-helixtrans-52-37.9174.6-22.331.7000108.3G2 E7 Y8G2-P4 VanDerWaalsContact O-CD 3.23Å; G2-P4 WeakPolarHBondContact O-CD 3.38Å; P4-E7 PolarHBondContact O-N 3.49Å; P4-Y8 VanDerWaalsContact C-CD2 3.44Å; P4-Y8 HydrophobicContact CB-CD2 3.99Å; P4-Y8 HydrophobicContact CB-CE2 3.88Å; P4-Y8 WeakPolarHBondContact O-CB 3.3Å; P4-Y8 WeakPolarHBondContact O-CD2 3.41Å; P4-Y8 VanDerWaalsContact O-CG 3.22Å; P4-Y8 PolarHBondContact O-N 3.1Å
5V49.4Very low56.4Low72 Ų7280.7 Ų80.744%0.43643%0.428SS..Hα-helixtrans-63.4-44.5178.8-173.90000111.8D3 Y8 T9D3-V5 PolarHBondContact O-N 3.49Å; D3-V5 VanDerWaalsContact O-N 3.12Å; D3-V5 WeakPolarHBondContact OD1-CB 3.4Å; D3-V5 WeakPolarHBondContact OD1-CG2 3.49Å; D3-V5 PolarHBondContact OD1-N 3.44Å; V5-Y8 PolarHBondContact O-N 2.92Å; V5-T9 WeakPolarHBondContact O-CB 3.48Å; V5-T9 PolarHBondContact O-N 3.23Å; V5-T9 PolarHBondContact O-OG1 3.06Å
6T48.7Very low57.6Low87 Ų8780.1 Ų80.153%0.53442%0.422SS..Hα-helixtrans-73.7-36179.5-44.40000112.2D3 T9 A10D3-T6 WeakPolarHBondContact CB-OG1 3.44Å; D3-T6 PolarHBondContact O-N 3.49Å; D3-T6 PolarHBondContact OD2-OG1 3.12Å; T6-T9 PolarHBondContact O-N 2.95Å; T6-A10 WeakPolarHBondContact O-CB 3.4Å; T6-A10 PolarHBondContact O-N 2.92Å
7E51.1Low58.7Low90 Ų9084.1 Ų84.142%0.42143%0.43SS..Hα-helixtrans-67.7-40.6173.2-168.8-179.8160.100111D3 P4 R11D3-E7 PolarHBondContact O-N 3.38Å; P4-E7 PolarHBondContact O-N 3.49Å; E7-R11 WeakPolarHBondContact O-CB 3.48Å; E7-R11 VanDerWaalsContact O-CG 3.24Å; E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 3.5Å; E7-R11 IonicContact OE1-CZ 3.37Å; E7-R11 IonicContact OE1-NE 3.09Å; E7-R11 IonicContact OE1-NH1 2.69Å; E7-R11 PolarHBondContact OE1-NH1 3.16Å; E7-R11 IonicContact OE1-NH2 2.64Å; E7-R11 PolarHBondContact OE1-NH2 3.35Å
8Y57.2Low59.9Low112 Ų11283.8 Ų83.844%0.43943%0.427SS..Hα-helixtrans-68.2-35.9172.5-74.6-58.2000111.5P4 V5 R11 L12 M58P4-Y8 VanDerWaalsContact C-CD2 3.44Å; P4-Y8 HydrophobicContact CB-CD2 3.99Å; P4-Y8 HydrophobicContact CB-CE2 3.88Å; P4-Y8 WeakPolarHBondContact O-CB 3.3Å; P4-Y8 WeakPolarHBondContact O-CD2 3.41Å; P4-Y8 VanDerWaalsContact O-CG 3.22Å; P4-Y8 PolarHBondContact O-N 3.1Å; V5-Y8 PolarHBondContact O-N 2.92Å; Y8-R11 PolarHBondContact O-N 3.27Å; Y8-L12 WeakPolarHBondContact O-CB 3.45Å; Y8-L12 PolarHBondContact O-N 3.05Å; Y8-M58 HydrophobicContact CD1-SD 3.96Å
9T61.3Low60.9Low57 Ų5780.9 Ų80.935%0.3541%0.412SS..Hα-helixtrans-70.7-42.9178.3-59.20000111.5V5 T6 R11 L12 Q13V5-T9 WeakPolarHBondContact O-CB 3.48Å; V5-T9 PolarHBondContact O-N 3.23Å; V5-T9 PolarHBondContact O-OG1 3.06Å; T6-T9 PolarHBondContact O-N 2.95Å; T9-R11 VanDerWaalsContact C-N 3.34Å; T9-L12 PolarHBondContact O-N 2.99Å; T9-Q13 WeakPolarHBondContact O-CB 3.27Å; T9-Q13 WeakPolarHBondContact O-CG 3.45Å; T9-Q13 PolarHBondContact O-N 3.37Å
10A63.8Low61.7Low56 Ų5682 Ų8246%0.46342%0.415SS..Hα-helixtrans-64-40.2174.400000111.5T6 L12 H14T6-A10 WeakPolarHBondContact O-CB 3.4Å; T6-A10 PolarHBondContact O-N 2.92Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-H14 WeakPolarHBondContact O-CB 3.13Å; A10-H14 PolarHBondContact O-N 3.2Å
11R65.6Low62.5Low129 Ų12981.7 Ų81.749%0.48742%0.421SS..Hα-helixtrans-65.8-35.9172.7-76.8177.9174.8158.78.8112.6E7 Y8 T9 H14 Q15E7-R11 WeakPolarHBondContact O-CB 3.48Å; E7-R11 VanDerWaalsContact O-CG 3.24Å; E7-R11 WeakPolarHBondContact O-CG 3.41Å; E7-R11 PolarHBondContact O-N 3.5Å; E7-R11 IonicContact OE1-CZ 3.37Å; E7-R11 IonicContact OE1-NE 3.09Å; E7-R11 IonicContact OE1-NH1 2.69Å; E7-R11 PolarHBondContact OE1-NH1 3.16Å; E7-R11 IonicContact OE1-NH2 2.64Å; E7-R11 PolarHBondContact OE1-NH2 3.35Å; Y8-R11 PolarHBondContact O-N 3.27Å; T9-R11 VanDerWaalsContact C-N 3.34Å; R11-H14 PolarHBondContact O-N 3.47Å; R11-Q15 WeakPolarHBondContact O-CB 3.34Å; R11-Q15 WeakPolarHBondContact O-CG 3.24Å; R11-Q15 PolarHBondContact O-N 3.09Å
12L65.6Low64.4Low31 Ų3173 Ų7316%0.16238%0.378CS..Hα-helixtrans-69.9-43178.2-164.2145.9000110.9Y8 T9 A10 H14 Q15 E16 L55 M58Y8-L12 WeakPolarHBondContact O-CB 3.45Å; Y8-L12 PolarHBondContact O-N 3.05Å; T9-L12 PolarHBondContact O-N 2.99Å; A10-L12 VanDerWaalsContact C-N 3.34Å; L12-H14 VanDerWaalsContact C-N 3.3Å; L12-H14 PolarHBondContact O-N 3.48Å; L12-Q15 PolarHBondContact O-N 2.9Å; L12-E16 HydrophobicContact CD2-CG 4.25Å; L12-E16 WeakPolarHBondContact CD2-OE1 3.36Å; L12-E16 WeakPolarHBondContact O-CB 3.45Å; L12-E16 WeakPolarHBondContact O-CG 3.14Å; L12-E16 PolarHBondContact O-N 3.41Å; L12-L55 HydrophobicContact CD1-CD1 4.39Å; L12-L55 HydrophobicContact CD1-CG 4.38Å; L12-L55 HydrophobicContact CD2-CD1 4.18Å; L12-L55 HydrophobicContact CG-CD1 4.14Å; L12-M58 HydrophobicContact CD1-CE 4.19Å
13Q68.6Low66.3Low74 Ų7473.7 Ų73.735%0.34638%0.377SS..Hα-helixtrans-64.9-32.4172.9-73178.9-6.900113.1T9 R17T9-Q13 WeakPolarHBondContact O-CB 3.27Å; T9-Q13 WeakPolarHBondContact O-CG 3.45Å; T9-Q13 PolarHBondContact O-N 3.37Å; Q13-R17 PolarHBondContact O-N 2.98Å; Q13-R17 PolarHBondContact O-NE 3.05Å
14H73.8Confident67.8Low114 Ų11474.4 Ų74.453%0.52839%0.389SS..Hα-helixtrans-69.4-46.7173.3-173.263.7000111A10 R11 L12 E16 R17 E18A10-H14 WeakPolarHBondContact O-CB 3.13Å; A10-H14 PolarHBondContact O-N 3.2Å; R11-H14 PolarHBondContact O-N 3.47Å; L12-H14 VanDerWaalsContact C-N 3.3Å; L12-H14 PolarHBondContact O-N 3.48Å; H14-E16 PolarHBondContact O-N 3.07Å; H14-R17 PolarHBondContact O-N 3.15Å; H14-E18 PolarHBondContact O-N 3.4Å
15Q73.5Confident69.2Low29 Ų2974.7 Ų74.714%0.13638%0.384CS..Hα-helixtrans-63.7-36176.1-80.9177.5-18.800113.1R11 L12 E18 I19 L51R11-Q15 WeakPolarHBondContact O-CB 3.34Å; R11-Q15 WeakPolarHBondContact O-CG 3.24Å; R11-Q15 PolarHBondContact O-N 3.09Å; L12-Q15 PolarHBondContact O-N 2.9Å; Q15-E18 PolarHBondContact O-N 3.34Å; Q15-I19 WeakPolarHBondContact O-CB 3.04Å; Q15-I19 WeakPolarHBondContact O-CG1 3.31Å; Q15-I19 PolarHBondContact O-N 2.98Å; Q15-L51 VanDerWaalsContact CD-CD2 3.41Å; Q15-L51 HydrophobicContact CG-CD2 3.87Å
16E75.5Confident70.2Confident70 Ų7072.3 Ų72.333%0.32737%0.369SS..Hα-helixtrans-64.1-42.1175.5-79.1178163.700111.9L12 H14 E18 I19 Q20 L55L12-E16 HydrophobicContact CD2-CG 4.25Å; L12-E16 WeakPolarHBondContact CD2-OE1 3.36Å; L12-E16 WeakPolarHBondContact O-CB 3.45Å; L12-E16 WeakPolarHBondContact O-CG 3.14Å; L12-E16 PolarHBondContact O-N 3.41Å; H14-E16 PolarHBondContact O-N 3.07Å; E16-E18 VanDerWaalsContact C-N 3.34Å; E16-I19 PolarHBondContact O-N 3.22Å; E16-Q20 PolarHBondContact O-N 3.47Å; E16-L55 HydrophobicContact CG-CD1 4.48Å
17R76.3Confident71.4Confident149 Ų14974.7 Ų74.756%0.56237%0.373SS*.Hα-helixtrans-64.7-39.4174.3-80.8-176.2-95.7179.3-11.9112.1Q13 H14 Q20 S21Q13-R17 PolarHBondContact O-N 2.98Å; Q13-R17 PolarHBondContact O-NE 3.05Å; H14-R17 PolarHBondContact O-N 3.15Å; R17-Q20 PolarHBondContact O-N 3Å; R17-S21 WeakPolarHBondContact O-CB 3.49Å; R17-S21 PolarHBondContact O-N 3.48Å
18E79.9Confident72.2Confident79 Ų7974 Ų7437%0.36938%0.378SS..Hα-helixtrans-64-44.9175.9-145.4172-158.400111.1H14 Q15 E16 Q20 S21 L22H14-E18 PolarHBondContact O-N 3.4Å; Q15-E18 PolarHBondContact O-N 3.34Å; E16-E18 VanDerWaalsContact C-N 3.34Å; E18-Q20 VanDerWaalsContact C-N 3.35Å; E18-Q20 PolarHBondContact O-N 3.09Å; E18-S21 PolarHBondContact O-N 2.93Å; E18-L22 WeakPolarHBondContact O-CB 3.31Å; E18-L22 WeakPolarHBondContact O-CG 3.43Å; E18-L22 PolarHBondContact O-N 3.1Å
19I80Confident72.3Confident28 Ų2872.7 Ų72.714%0.14438%0.379CS..Hα-helixtrans-59.6-43175.2-73.7166.3000111.7Q15 E16 S23 L51Q15-I19 WeakPolarHBondContact O-CB 3.04Å; Q15-I19 WeakPolarHBondContact O-CG1 3.31Å; Q15-I19 PolarHBondContact O-N 2.98Å; E16-I19 PolarHBondContact O-N 3.22Å; I19-S23 VanDerWaalsContact O-CB 3.31Å; I19-S23 WeakPolarHBondContact O-CB 3.44Å; I19-S23 PolarHBondContact O-N 3.34Å; I19-S23 PolarHBondContact O-OG 3.35Å; I19-L51 HydrophobicContact CD1-CB 4Å; I19-L51 HydrophobicContact CD1-CD1 4.26Å; I19-L51 HydrophobicContact CG1-CB 4.47Å; I19-L51 HydrophobicContact CG1-CD1 3.93Å
20Q75.9Confident72.2Confident103 Ų10376.5 Ų76.548%0.48139%0.39SS..Hα-helixtrans-66.9-44.9178.2-78.5-179.9-19.600111.9E16 R17 E18 L22 S23 A24E16-Q20 PolarHBondContact O-N 3.47Å; R17-Q20 PolarHBondContact O-N 3Å; E18-Q20 VanDerWaalsContact C-N 3.35Å; E18-Q20 PolarHBondContact O-N 3.09Å; Q20-L22 PolarHBondContact O-N 2.87Å; Q20-S23 PolarHBondContact O-N 3.04Å; Q20-A24 PolarHBondContact O-N 2.88Å
21S77.9Confident71.8Confident75 Ų7583 Ų8352%0.52441%0.408SS..Hα-helixtrans-58.5-48.1176-177.50000111.5R17 E18 S23 A24 E25R17-S21 WeakPolarHBondContact O-CB 3.49Å; R17-S21 PolarHBondContact O-N 3.48Å; E18-S21 PolarHBondContact O-N 2.93Å; S21-S23 VanDerWaalsContact C-N 3.34Å; S21-S23 PolarHBondContact O-N 3.24Å; S21-A24 PolarHBondContact O-N 3.23Å; S21-E25 PolarHBondContact O-N 3.09Å
22L77.9Confident70.9Confident19 Ų1980.8 Ų80.810%0.09941%0.412CS..Hα-helixtrans-64.7-37.9178.4-70.4173.1000112.2E18 Q20 A24 E25 I26 L44E18-L22 WeakPolarHBondContact O-CB 3.31Å; E18-L22 WeakPolarHBondContact O-CG 3.43Å; E18-L22 PolarHBondContact O-N 3.1Å; Q20-L22 PolarHBondContact O-N 2.87Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 2.75Å; L22-E25 PolarHBondContact O-N 2.87Å; L22-I26 WeakPolarHBondContact O-CB 3.27Å; L22-I26 WeakPolarHBondContact O-CD1 3.49Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.18Å; L22-L44 HydrophobicContact CD1-CD2 3.84Å; L22-L44 HydrophobicContact CD2-CD1 3.83Å; L22-L44 HydrophobicContact CD2-CD2 3.26Å; L22-L44 HydrophobicContact CD2-CG 4.09Å; L22-L44 HydrophobicContact CG-CD2 4.11Å
23S79Confident70.2Confident54 Ų5488.1 Ų88.138%0.37845%0.446SS..Hα-helixtrans-65-39.3177-59.50000111.8I19 Q20 S21 I26 E27I19-S23 VanDerWaalsContact O-CB 3.31Å; I19-S23 WeakPolarHBondContact O-CB 3.44Å; I19-S23 PolarHBondContact O-N 3.34Å; I19-S23 PolarHBondContact O-OG 3.35Å; Q20-S23 PolarHBondContact O-N 3.04Å; S21-S23 VanDerWaalsContact C-N 3.34Å; S21-S23 PolarHBondContact O-N 3.24Å; S23-I26 PolarHBondContact O-N 3.42Å; S23-E27 PolarHBondContact O-N 3.25Å; S23-E27 VanDerWaalsContact O-N 3.16Å
24A76.1Confident68.8Low61 Ų6189.4 Ų89.450%0.50446%0.463SS..Hα-helixtrans-68.3-39175.500000112.3Q20 S21 L22 E27 S28Q20-A24 PolarHBondContact O-N 2.88Å; S21-A24 PolarHBondContact O-N 3.23Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 2.75Å; A24-E27 PolarHBondContact O-N 3.5Å; A24-S28 PolarHBondContact O-N 3.36Å
25E75.4Confident67.5Low80 Ų8093.6 Ų93.637%0.37448%0.48SS..Hα-helixtrans-66.7-38.7176-164.4176.2-178.900111.8S21 L22 E27 S28 L29S21-E25 PolarHBondContact O-N 3.09Å; L22-E25 PolarHBondContact O-N 2.87Å; E25-E27 PolarHBondContact O-N 3.36Å; E25-S28 WeakPolarHBondContact O-CB 3.42Å; E25-S28 PolarHBondContact O-N 2.97Å; E25-L29 HydrophobicContact CG-CD1 4.17Å; E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.47Å; E25-L29 PolarHBondContact O-N 2.8Å
26I71.6Confident66.1Low22 Ų22100.7 Ų100.711%0.11351%0.513CS..Hα-helixtrans-62.1-40.3173.9-71.8168.7000111.6L22 S23 K30 L41 L44L22-I26 WeakPolarHBondContact O-CB 3.27Å; L22-I26 WeakPolarHBondContact O-CD1 3.49Å; L22-I26 WeakPolarHBondContact O-CG1 3.33Å; L22-I26 PolarHBondContact O-N 3.18Å; S23-I26 PolarHBondContact O-N 3.42Å; I26-K30 WeakPolarHBondContact O-CG 3.49Å; I26-K30 PolarHBondContact O-N 3.02Å; I26-K30 VanDerWaalsContact O-N 3.1Å; I26-L41 HydrophobicContact CB-CD1 4.35Å; I26-L41 HydrophobicContact CD1-CD1 4.44Å; I26-L41 HydrophobicContact CG1-CD1 3.77Å; I26-L41 HydrophobicContact CG2-CD1 4.05Å; I26-L44 HydrophobicContact CD1-CB 4.48Å
27E73.1Confident64.8Low136 Ų136101.7 Ų101.764%0.63653%0.526SS*.Hα-helixtrans-68.5-36.8175.3-85-161.6152.400113.1S23 A24 E25 K30S23-E27 PolarHBondContact O-N 3.25Å; S23-E27 VanDerWaalsContact O-N 3.16Å; A24-E27 PolarHBondContact O-N 3.5Å; E25-E27 PolarHBondContact O-N 3.36Å; E27-K30 PolarHBondContact O-N 3.27Å
28S67.7Low64.1Low75 Ų7597.8 Ų97.852%0.52452%0.521SS..Hα-helixtrans-60.6-50173.7166.30000111.3A24 E25 K30 K31A24-S28 PolarHBondContact O-N 3.36Å; E25-S28 WeakPolarHBondContact O-CB 3.42Å; E25-S28 PolarHBondContact O-N 2.97Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 2.95Å; S28-K31 PolarHBondContact O-N 3.48Å; S28-K31 VanDerWaalsContact O-N 3.12Å
29L60.2Low63.6Low85 Ų85100.7 Ų100.745%0.44554%0.535SS..Hα-helixtrans-68-28.3-179-70.4166.5000113.1E25 K31 S32E25-L29 HydrophobicContact CG-CD1 4.17Å; E25-L29 WeakPolarHBondContact O-CB 3.49Å; E25-L29 WeakPolarHBondContact O-CG 3.47Å; E25-L29 PolarHBondContact O-N 2.8Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.29Å; L29-S32 PolarHBondContact O-OG 3.46Å; L29-S32 VanDerWaalsContact O-OG 3.06Å
30K58.3Low63.1Low137 Ų137107.2 Ų107.260%0.59656%0.558SS**Hα-helixtrans-65.4-27.1172.2-83.7178.3179.7178.60113.7I26 E27 S28I26-K30 WeakPolarHBondContact O-CG 3.49Å; I26-K30 PolarHBondContact O-N 3.02Å; I26-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 PolarHBondContact O-N 3.27Å; S28-K30 VanDerWaalsContact C-N 3.31Å; S28-K30 PolarHBondContact O-N 2.95Å
31K57.1Low62.9Low193 Ų193103.7 Ų103.784%0.83954%0.542SS*.Hα-helixtrans-77.9-24.4-179.3-78.7-179.7177.41730113.1S28 L29 Q33S28-K31 PolarHBondContact O-N 3.48Å; S28-K31 VanDerWaalsContact O-N 3.12Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.29Å; K31-Q33 PolarHBondContact O-N 2.92Å
32S45.7Very low62.9Low82 Ų82104.7 Ų104.757%0.57354%0.538SS*.SBendtrans-94.488.3175.5490000110.3L29 S34L29-S32 PolarHBondContact O-OG 3.46Å; L29-S32 VanDerWaalsContact O-OG 3.06Å; S32-S34 PolarHBondContact O-N 3.33Å
33Q50.1Low63Low186 Ų186107.8 Ų107.887%0.86956%0.555SS**  trans-75.9121.9172.6-76-175.8-7.800110.7K31K31-Q33 PolarHBondContact O-N 2.92Å
34S40.9Very low63.2Low100 Ų100106 Ų10670%0.69954%0.541SS*.  179.5128.8108.273.30000113.1S32S32-S34 PolarHBondContact O-N 3.33Å
35F45.3Very low63.2Low202 Ų202108.8 Ų108.889%0.88654%0.539SS*.SBendtrans70.4119.8161.2-69.6-84.7000121
36E44.5Very low63.6Low178 Ų178111.8 Ų111.883%0.83255%0.553SS**  trans72.6122.3-177.4-60-161.116800117S38E36-S38 PolarHBondContact O-N 2.69Å
37P47.9Very low64.3Low91 Ų91115 Ų11559%0.59157%0.567SS**  trans-64.2105.9168.427.3-27.3000106Q39P37-Q39 PolarHBondContact O-N 2.96Å
38S62.2Low64.8Low67 Ų67109.1 Ų109.147%0.46954%0.54SS..  trans-54.2133.117971.10000107.9E36 R40 L41E36-S38 PolarHBondContact O-N 2.69Å; S38-R40 CarbonylContact O-C 3.45Å; S38-R40 PolarHBondContact O-N 2.94Å; S38-L41 WeakPolarHBondContact O-CB 3.44Å; S38-L41 PolarHBondContact O-N 3.28Å
39Q69.3Low65.5Low140 Ų140110.3 Ų110.365%0.65454%0.54SS*.Hα-helixtrans-39-37.8175.3-164.788.228.400111.9P37 L41 E42 D43P37-Q39 PolarHBondContact O-N 2.96Å; Q39-L41 PolarHBondContact O-N 3.43Å; Q39-E42 PolarHBondContact O-N 2.86Å; Q39-E42 VanDerWaalsContact O-N 3.09Å; Q39-D43 PolarHBondContact O-N 3.29Å
40R70.1Confident66.6Low166 Ų166115.7 Ų115.763%0.62656%0.555SS**Hα-helixtrans-57.8-37.7176-168.6157.6-179.3141.8-2.2114.7S38 E42 L44S38-R40 CarbonylContact O-C 3.45Å; S38-R40 PolarHBondContact O-N 2.94Å; R40-E42 VanDerWaalsContact C-N 3.33Å; R40-L44 HydrophobicContact CG-CD1 4.31Å; R40-L44 WeakPolarHBondContact O-CB 3.41Å; R40-L44 WeakPolarHBondContact O-CG 3.33Å; R40-L44 PolarHBondContact O-N 3.34Å
41L71.3Confident68Low28 Ų28109.9 Ų109.915%0.14753%0.53CS..Hα-helixtrans-67.3-35.7175.7-173.271.7000111.8I26 S38 Q39 R45I26-L41 HydrophobicContact CB-CD1 4.35Å; I26-L41 HydrophobicContact CD1-CD1 4.44Å; I26-L41 HydrophobicContact CG1-CD1 3.77Å; I26-L41 HydrophobicContact CG2-CD1 4.05Å; S38-L41 WeakPolarHBondContact O-CB 3.44Å; S38-L41 PolarHBondContact O-N 3.28Å; Q39-L41 PolarHBondContact O-N 3.43Å; L41-R45 VanDerWaalsContact O-CG 3.24Å; L41-R45 WeakPolarHBondContact O-CG 3.37Å; L41-R45 PolarHBondContact O-N 3.23Å
42E76.9Confident69Low97 Ų97105.8 Ų105.845%0.45351%0.512SS..Hα-helixtrans-72.6-44.6175.1-71.1-174.316300111.1Q39 R40 L44 R45 E46Q39-E42 PolarHBondContact O-N 2.86Å; Q39-E42 VanDerWaalsContact O-N 3.09Å; R40-E42 VanDerWaalsContact C-N 3.33Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.16Å; E42-R45 WeakPolarHBondContact O-CB 3.39Å; E42-R45 PolarHBondContact O-N 3Å; E42-E46 PolarHBondContact O-N 2.91Å
43D80.5Confident70.7Confident83 Ų83109.9 Ų109.944%0.44452%0.516SS..Hα-helixtrans-55.3-46.2174.5-62.9-27.3000111.2Q39 R45 E46 E47Q39-D43 PolarHBondContact O-N 3.29Å; D43-R45 VanDerWaalsContact C-N 3.33Å; D43-R45 PolarHBondContact O-N 3.17Å; D43-E46 PolarHBondContact O-N 2.74Å; D43-E47 WeakPolarHBondContact O-CB 3.41Å; D43-E47 PolarHBondContact O-N 3.26Å
44L82.4Confident72.3Confident18 Ų18107.3 Ų107.39%0.09450%0.499CS..Hα-helixtrans-66.4-32.6177.9-71.3177.3000113L22 I26 R40 E42 N48L22-L44 HydrophobicContact CD1-CD2 3.84Å; L22-L44 HydrophobicContact CD2-CD1 3.83Å; L22-L44 HydrophobicContact CD2-CD2 3.26Å; L22-L44 HydrophobicContact CD2-CG 4.09Å; L22-L44 HydrophobicContact CG-CD2 4.11Å; I26-L44 HydrophobicContact CD1-CB 4.48Å; R40-L44 HydrophobicContact CG-CD1 4.31Å; R40-L44 WeakPolarHBondContact O-CB 3.41Å; R40-L44 WeakPolarHBondContact O-CG 3.33Å; R40-L44 PolarHBondContact O-N 3.34Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.16Å; L44-N48 WeakPolarHBondContact O-CB 3.32Å; L44-N48 PolarHBondContact O-N 3.43Å
45R77.7Confident74Confident118 Ų118103.7 Ų103.745%0.44547%0.472SS..Hα-helixtrans-71.2-42.8174.9-77.6171.2179.7-175.23.5111.3L41 E42 D43 N48 N49L41-R45 VanDerWaalsContact O-CG 3.24Å; L41-R45 WeakPolarHBondContact O-CG 3.37Å; L41-R45 PolarHBondContact O-N 3.23Å; E42-R45 WeakPolarHBondContact O-CB 3.39Å; E42-R45 PolarHBondContact O-N 3Å; D43-R45 VanDerWaalsContact C-N 3.33Å; D43-R45 PolarHBondContact O-N 3.17Å; R45-N48 PolarHBondContact O-N 2.89Å; R45-N49 WeakPolarHBondContact O-CB 3.21Å; R45-N49 PolarHBondContact O-N 3.47Å; R45-N49 PolarHBondContact O-ND2 3.31Å
46E83.5Confident75.5Confident143 Ų14398.5 Ų98.567%0.66845%0.453SS*.Hα-helixtrans-63-44.2175.2-74.5-163.516200111.3E42 D43 N49 R50E42-E46 PolarHBondContact O-N 2.91Å; D43-E46 PolarHBondContact O-N 2.74Å; E46-N49 PolarHBondContact O-N 3.19Å; E46-R50 WeakPolarHBondContact O-CB 3.35Å; E46-R50 PolarHBondContact O-N 3.41Å
47E86.4Confident77.2Confident90 Ų9092.9 Ų92.942%0.42143%0.431SS..Hα-helixtrans-61.9-47.2175.8-174.4162.7-147.200111.3D43 N49 R50 L51D43-E47 WeakPolarHBondContact O-CB 3.41Å; D43-E47 PolarHBondContact O-N 3.26Å; E47-N49 VanDerWaalsContact C-N 3.3Å; E47-N49 PolarHBondContact O-N 3.32Å; E47-R50 WeakPolarHBondContact O-CB 3.38Å; E47-R50 PolarHBondContact O-N 3.04Å; E47-R50 VanDerWaalsContact O-N 3.14Å; E47-L51 HydrophobicContact CG-CD1 4.15Å; E47-L51 HydrophobicContact CG-CG 4.33Å; E47-L51 WeakPolarHBondContact O-CB 3.21Å; E47-L51 VanDerWaalsContact O-CG 3.25Å; E47-L51 WeakPolarHBondContact O-CG 3.39Å; E47-L51 PolarHBondContact O-N 3.45Å
48N83.8Confident78.5Confident12 Ų1290.3 Ų90.36%0.06441%0.411CS..Hα-helixtrans-58-42.1176-165.8-70.8000112.1L44 R45 L51 K52L44-N48 WeakPolarHBondContact O-CB 3.32Å; L44-N48 PolarHBondContact O-N 3.43Å; R45-N48 PolarHBondContact O-N 2.89Å; N48-L51 PolarHBondContact O-N 2.99Å; N48-K52 WeakPolarHBondContact O-CB 3.35Å; N48-K52 WeakPolarHBondContact O-CG 3.42Å; N48-K52 PolarHBondContact O-N 3.31Å; N48-K52 WeakPolarHBondContact OD1-CD 3.25Å; N48-K52 WeakPolarHBondContact OD1-CE 3.43Å; N48-K52 PolarHBondContact OD1-NZ 3.22Å
49N81.3Confident78.9Confident100 Ų10092.3 Ų92.354%0.53541%0.412SS..Hα-helixtrans-66.8-41.3176.4-72.8-23.9000112.1R45 E46 E47 K52 Y53R45-N49 WeakPolarHBondContact O-CB 3.21Å; R45-N49 PolarHBondContact O-N 3.47Å; R45-N49 PolarHBondContact O-ND2 3.31Å; E46-N49 PolarHBondContact O-N 3.19Å; E47-N49 VanDerWaalsContact C-N 3.3Å; E47-N49 PolarHBondContact O-N 3.32Å; N49-K52 PolarHBondContact O-N 2.97Å; N49-Y53 WeakPolarHBondContact O-CB 3.43Å; N49-Y53 PolarHBondContact O-N 3.48Å
50R84.2Confident79Confident199 Ų19993.9 Ų93.975%0.75141%0.412SS*.Hα-helixtrans-63.7-41.4176.3-170.2179.2-176.9-176.11.6111.4E46 E47 Y53 R54E46-R50 WeakPolarHBondContact O-CB 3.35Å; E46-R50 PolarHBondContact O-N 3.41Å; E47-R50 WeakPolarHBondContact O-CB 3.38Å; E47-R50 PolarHBondContact O-N 3.04Å; E47-R50 VanDerWaalsContact O-N 3.14Å; R50-Y53 PolarHBondContact O-N 3.24Å; R50-R54 WeakPolarHBondContact O-CB 3.44Å; R50-R54 PolarHBondContact O-N 3.5Å
51L86.3Confident79.2Confident14 Ų1488.7 Ų88.77%0.07340%0.4CS..Hα-helixtrans-66.2-46.2176.1-69.1179.3000111.7Q15 I19 E47 N48 Y53 R54 L55Q15-L51 VanDerWaalsContact CD-CD2 3.41Å; Q15-L51 HydrophobicContact CG-CD2 3.87Å; I19-L51 HydrophobicContact CD1-CB 4Å; I19-L51 HydrophobicContact CD1-CD1 4.26Å; I19-L51 HydrophobicContact CG1-CB 4.47Å; I19-L51 HydrophobicContact CG1-CD1 3.93Å; E47-L51 HydrophobicContact CG-CD1 4.15Å; E47-L51 HydrophobicContact CG-CG 4.33Å; E47-L51 WeakPolarHBondContact O-CB 3.21Å; E47-L51 VanDerWaalsContact O-CG 3.25Å; E47-L51 WeakPolarHBondContact O-CG 3.39Å; E47-L51 PolarHBondContact O-N 3.45Å; N48-L51 PolarHBondContact O-N 2.99Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 3.17Å; L51-R54 PolarHBondContact O-N 2.97Å; L51-L55 WeakPolarHBondContact O-CB 3.22Å; L51-L55 PolarHBondContact O-N 2.97Å
52K78.7Confident78.8Confident107 Ų10791.9 Ų91.947%0.46542%0.417SS..Hα-helixtrans-59-42.8174.1-79.5172.1173.8157.50112.3N48 N49 L55 N56N48-K52 WeakPolarHBondContact O-CB 3.35Å; N48-K52 WeakPolarHBondContact O-CG 3.42Å; N48-K52 PolarHBondContact O-N 3.31Å; N48-K52 WeakPolarHBondContact OD1-CD 3.25Å; N48-K52 WeakPolarHBondContact OD1-CE 3.43Å; N48-K52 PolarHBondContact OD1-NZ 3.22Å; N49-K52 PolarHBondContact O-N 2.97Å; K52-L55 PolarHBondContact O-N 3.44Å; K52-N56 PolarHBondContact O-N 3.03Å
53Y82Confident78.1Confident168 Ų16894 Ų9466%0.65943%0.427SS*.Hα-helixtrans-60.6-48.4174.4179-97.5000111N49 R50 L51 L55 N56 V57N49-Y53 WeakPolarHBondContact O-CB 3.43Å; N49-Y53 PolarHBondContact O-N 3.48Å; R50-Y53 PolarHBondContact O-N 3.24Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 3.17Å; Y53-L55 VanDerWaalsContact C-N 3.32Å; Y53-L55 PolarHBondContact O-N 3.36Å; Y53-N56 PolarHBondContact O-N 2.98Å; Y53-V57 HydrophobicContact CD1-CG2 4.12Å; Y53-V57 HydrophobicContact CE1-CG2 3.68Å; Y53-V57 HydrophobicContact CE2-CG2 4.35Å; Y53-V57 WeakPolarHBondContact O-CG2 3.41Å; Y53-V57 PolarHBondContact O-N 3.31Å
54R83.6Confident77.2Confident132 Ų13296.5 Ų96.550%0.49844%0.436SS..Hα-helixtrans-61.3-40.1178.5-159.3-177.6-178.2163.4-0.3112.1R50 L51 V57 M58R50-R54 WeakPolarHBondContact O-CB 3.44Å; R50-R54 PolarHBondContact O-N 3.5Å; L51-R54 PolarHBondContact O-N 2.97Å; R54-V57 PolarHBondContact O-N 3.34Å; R54-M58 HydrophobicContact CG-CE 4.05Å; R54-M58 WeakPolarHBondContact O-CB 3.49Å; R54-M58 WeakPolarHBondContact O-CG 3.43Å; R54-M58 PolarHBondContact O-N 3.41Å
55L76.1Confident76.1Confident25 Ų25103.1 Ų103.113%0.13147%0.467CS..Hα-helixtrans-63.1-42175.8-175144000111.5L12 E16 L51 K52 Y53 M58 K59L12-L55 HydrophobicContact CD1-CD1 4.39Å; L12-L55 HydrophobicContact CD1-CG 4.38Å; L12-L55 HydrophobicContact CD2-CD1 4.18Å; L12-L55 HydrophobicContact CG-CD1 4.14Å; E16-L55 HydrophobicContact CG-CD1 4.48Å; L51-L55 WeakPolarHBondContact O-CB 3.22Å; L51-L55 PolarHBondContact O-N 2.97Å; K52-L55 PolarHBondContact O-N 3.44Å; Y53-L55 VanDerWaalsContact C-N 3.32Å; Y53-L55 PolarHBondContact O-N 3.36Å; L55-M58 PolarHBondContact O-N 3.37Å; L55-K59 HydrophobicContact CD2-CD 3.88Å; L55-K59 HydrophobicContact CD2-CG 4.4Å; L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 WeakPolarHBondContact O-CG 3.44Å; L55-K59 PolarHBondContact O-N 2.82Å
56N76.4Confident74.9Confident92 Ų92101 Ų10149%0.49247%0.467SS..Hα-helixtrans-66.3-39.4174.7-78.7-21.8000112.9K52 Y53 K59 R60K52-N56 PolarHBondContact O-N 3.03Å; Y53-N56 PolarHBondContact O-N 2.98Å; N56-K59 PolarHBondContact O-N 2.94Å; N56-R60 WeakPolarHBondContact O-CG 3.5Å; N56-R60 PolarHBondContact O-N 2.86Å
57V80.7Confident72.9Confident61 Ų6198.7 Ų98.737%0.3746%0.464SS..Hα-helixtrans-62.2-47.1173.6173.30000110.2Y53 R54 K59 R60 S61Y53-V57 HydrophobicContact CD1-CG2 4.12Å; Y53-V57 HydrophobicContact CE1-CG2 3.68Å; Y53-V57 HydrophobicContact CE2-CG2 4.35Å; Y53-V57 WeakPolarHBondContact O-CG2 3.41Å; Y53-V57 PolarHBondContact O-N 3.31Å; R54-V57 PolarHBondContact O-N 3.34Å; V57-K59 VanDerWaalsContact C-N 3.35Å; V57-K59 PolarHBondContact O-N 3.45Å; V57-R60 PolarHBondContact O-N 3.46Å; V57-S61 PolarHBondContact O-N 2.84Å; V57-S61 PolarHBondContact O-OG 3.14Å
58M74.9Confident70.8Confident37 Ų37102.5 Ų102.518%0.18248%0.482CS..Hα-helixtrans-62.1-40177.3-73-171.5-73.100112.3Y8 L12 R54 L55 S61 L62Y8-M58 HydrophobicContact CD1-SD 3.96Å; L12-M58 HydrophobicContact CD1-CE 4.19Å; R54-M58 HydrophobicContact CG-CE 4.05Å; R54-M58 WeakPolarHBondContact O-CB 3.49Å; R54-M58 WeakPolarHBondContact O-CG 3.43Å; R54-M58 PolarHBondContact O-N 3.41Å; L55-M58 PolarHBondContact O-N 3.37Å; M58-S61 PolarHBondContact O-N 3.29Å; M58-L62 WeakPolarHBondContact O-CB 3.31Å; M58-L62 PolarHBondContact O-N 2.96Å
59K71.4Confident68.9Low108 Ų108106 Ų10647%0.4751%0.506SS..Hα-helixtrans-61.8-42.1174-79.4-176.2174.9-177.50112.4L55 N56 V57 L62 Q63L55-K59 HydrophobicContact CD2-CD 3.88Å; L55-K59 HydrophobicContact CD2-CG 4.4Å; L55-K59 WeakPolarHBondContact O-CB 3.48Å; L55-K59 WeakPolarHBondContact O-CG 3.44Å; L55-K59 PolarHBondContact O-N 2.82Å; N56-K59 PolarHBondContact O-N 2.94Å; V57-K59 VanDerWaalsContact C-N 3.35Å; V57-K59 PolarHBondContact O-N 3.45Å; K59-L62 PolarHBondContact O-N 3.32Å; K59-Q63 WeakPolarHBondContact O-CB 3.25Å; K59-Q63 WeakPolarHBondContact O-CG 3.46Å; K59-Q63 PolarHBondContact O-N 3Å
60R70.8Confident67.6Low174 Ų174102.5 Ų102.566%0.65749%0.494SS*.Hα-helixtrans-64.8-48.1175.7-77.4-177.9179.5177-0.4111.6N56 V57 L62 Q63 E64N56-R60 WeakPolarHBondContact O-CG 3.5Å; N56-R60 PolarHBondContact O-N 2.86Å; V57-R60 PolarHBondContact O-N 3.46Å; R60-L62 VanDerWaalsContact C-N 3.29Å; R60-L62 PolarHBondContact O-N 2.92Å; R60-Q63 CarbonylContact O-C 3.59Å; R60-Q63 WeakPolarHBondContact O-CB 3.35Å; R60-Q63 PolarHBondContact O-N 2.82Å; R60-Q63 VanDerWaalsContact O-N 3.11Å; R60-E64 WeakPolarHBondContact O-CG 3.39Å; R60-E64 PolarHBondContact O-N 2.9Å
61S73.4Confident66.7Low56 Ų56100.3 Ų100.339%0.39249%0.49SS..Hα-helixtrans-61.2-38.5176.7-59.30000112.1V57 M58 E64 E65V57-S61 PolarHBondContact O-N 2.84Å; V57-S61 PolarHBondContact O-OG 3.14Å; M58-S61 PolarHBondContact O-N 3.29Å; S61-E64 PolarHBondContact O-N 3.43Å; S61-E65 WeakPolarHBondContact O-CG 3.11Å; S61-E65 PolarHBondContact O-N 3.41Å
62L64.7Low66.2Low96 Ų96100.7 Ų100.750%0.50349%0.494SS..Hα-helixtrans-61.7-46.6173-173.768.4000110.9M58 K59 R60 E64 E65 T66M58-L62 WeakPolarHBondContact O-CB 3.31Å; M58-L62 PolarHBondContact O-N 2.96Å; K59-L62 PolarHBondContact O-N 3.32Å; R60-L62 VanDerWaalsContact C-N 3.29Å; R60-L62 PolarHBondContact O-N 2.92Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.88Å; L62-E65 PolarHBondContact O-N 3.38Å; L62-T66 WeakPolarHBondContact O-CB 3.26Å; L62-T66 PolarHBondContact O-N 3.34Å; L62-T66 PolarHBondContact O-OG1 3.39Å
63Q61.4Low66.5Low140 Ų14096.1 Ų96.165%0.65447%0.474SS*.Hα-helixtrans-62.5-33.3176.3-76.2176.8-1900113.2K59 R60 P67K59-Q63 WeakPolarHBondContact O-CB 3.25Å; K59-Q63 WeakPolarHBondContact O-CG 3.46Å; K59-Q63 PolarHBondContact O-N 3Å; R60-Q63 CarbonylContact O-C 3.59Å; R60-Q63 WeakPolarHBondContact O-CB 3.35Å; R60-Q63 PolarHBondContact O-N 2.82Å; R60-Q63 VanDerWaalsContact O-N 3.11Å; Q63-P67 VanDerWaalsContact O-CD 3.29Å; Q63-P67 WeakPolarHBondContact O-CD 3.34Å; Q63-P67 WeakPolarHBondContact O-CG 3.45Å
64E60.7Low66.7Low137 Ų13791.4 Ų91.464%0.6446%0.46SS*.Hα-helixtrans-73.5-31176.7-73.9169.2-178.100113R60 S61 L62 P67R60-E64 WeakPolarHBondContact O-CG 3.39Å; R60-E64 PolarHBondContact O-N 2.9Å; S61-E64 PolarHBondContact O-N 3.43Å; L62-E64 VanDerWaalsContact C-N 3.29Å; L62-E64 PolarHBondContact O-N 2.88Å; E64-P67 VanDerWaalsContact C-CD 3.41Å; E64-P67 WeakPolarHBondContact O-CD 3.13Å
65E61.2Low66.9Low156 Ų15686.2 Ų86.273%0.72944%0.442SS*.Hα-helixtrans-84.4-26.7175.5-69.6-68.5159.300112.9S61 L62S61-E65 WeakPolarHBondContact O-CG 3.11Å; S61-E65 PolarHBondContact O-N 3.41Å; L62-E65 PolarHBondContact O-N 3.38Å
66T51.3Low67.5Low75 Ų7585.1 Ų85.146%0.4644%0.436SS..THydrogen-bonded Turntrans-64.2-23.2179.1-53.60000116.4L62L62-T66 WeakPolarHBondContact O-CB 3.26Å; L62-T66 PolarHBondContact O-N 3.34Å; L62-T66 PolarHBondContact O-OG1 3.39Å
67P41.5Very low68.2Low93 Ų9381.7 Ų81.760%0.60442%0.418SS*.THydrogen-bonded Turntrans-88.4-2.9-173.913.64.1000114.8Q63 E64 C69Q63-P67 VanDerWaalsContact O-CD 3.29Å; Q63-P67 WeakPolarHBondContact O-CD 3.34Å; Q63-P67 WeakPolarHBondContact O-CG 3.45Å; E64-P67 VanDerWaalsContact C-CD 3.41Å; E64-P67 WeakPolarHBondContact O-CD 3.13Å; P67-C69 VanDerWaalsContact C-N 3.34Å; P67-C69 PolarHBondContact O-N 3.29Å; P67-C69 VanDerWaalsContact O-N 3.12Å
68H43.1Very low68.5Low170 Ų17082.8 Ų82.879%0.78742%0.419SS*.  trans-85.386.3168.1-87.154.2000108.6G70H68-G70 WeakPolarHBondContact O-CA 3.5Å; H68-G70 PolarHBondContact O-N 3.02Å
69C44.3Very low69.1Low85 Ų8586 Ų8657%0.57443%0.429SS*.  trans-48.798.2160.8-1680000106.9P67P67-C69 VanDerWaalsContact C-N 3.34Å; P67-C69 PolarHBondContact O-N 3.29Å; P67-C69 VanDerWaalsContact O-N 3.12Å
70G53.8Low70.1Confident27 Ų2780.8 Ų80.828%0.27841%0.407SS..  trans-64.2166.8-164.400000111H68 S72H68-G70 WeakPolarHBondContact O-CA 3.5Å; H68-G70 PolarHBondContact O-N 3.02Å; G70-S72 PolarHBondContact O-N 3.32Å
71K64.3Low71Confident154 Ų15475 Ų7567%0.6739%0.387SS*.SBendtrans-63.12.5171.4-62178.4179.6176.90113.4N181K71-N181 HydrophobicContact CB-CB 4.19Å; K71-N181 WeakPolarHBondContact O-CB 3.37Å
72S76.9Confident71.7Confident22 Ų2275.3 Ų75.315%0.15438%0.384CS..SBendtrans-113.8155.1-172.254.70000112.6G70 P185 P187G70-S72 PolarHBondContact O-N 3.32Å; S72-P185 VanDerWaalsContact CB-O 3.24Å; S72-P185 WeakPolarHBondContact CB-O 3.32Å; S72-P187 WeakPolarHBondContact OG-CD 3.32Å
73M84Confident72.9Confident11 Ų1171.2 Ų71.25%0.05436%0.363CS..  trans-65.4153.4170.9-63-178.274.200111.7M178 V183 Q184 P186 L582 F584 P585 I647M73-M178 HydrophobicContact CE-CG 4.42Å; M73-M178 HydrophobicContact CE-SD 3.74Å; M73-M178 HydrophobicContact CG-CG 4.21Å; M73-M178 HydrophobicContact SD-CG 4.12Å; M73-M178 HydrophobicContact SD-SD 4.03Å; M73-V183 HydrophobicContact SD-CG1 3.89Å; M73-Q184 WeakPolarHBondContact CB-O 3.46Å; M73-Q184 WeakPolarHBondContact CG-O 3.37Å; M73-Q184 PolarHBondContact N-O 3.24Å; M73-P186 WeakPolarHBondContact O-CG 3.4Å; M73-L582 HydrophobicContact CE-CD2 4.47Å; M73-F584 HydrophobicContact CE-CB 4.38Å; M73-F584 HydrophobicContact CE-CD1 4.36Å; M73-F584 HydrophobicContact SD-CD1 4.06Å; M73-P585 HydrophobicContact CB-CG 3.77Å; M73-P585 HydrophobicContact CE-CG 3.91Å; M73-P585 HydrophobicContact SD-CG 4.29Å; M73-I647 HydrophobicContact CE-CD1 3.92Å; M73-I647 HydrophobicContact SD-CD1 4.02Å
74L85.7Confident74.3Confident68 Ų6864.6 Ų64.636%0.35633%0.332SS..  trans-105.2143.8176.5-65176.2000110.9I76 F170 L174L74-I76 PolarHBondContact O-N 3.46Å; L74-F170 HydrophobicContact CD1-CZ 4.37Å; L74-L174 HydrophobicContact CD1-CD2 3.69Å; L74-L174 HydrophobicContact CG-CD2 4.21Å
75N88.1Confident75.6Confident23 Ų2358.4 Ų58.412%0.12331%0.305CS..  trans-85.5104.8167.3-176.9-33.6000108.8N77 Q78 R79 P585N75-N77 PolarHBondContact OD1-N 3.43Å; N75-Q78 HydrophobicContact CB-CB 3.96Å; N75-Q78 PolarHBondContact O-N 3.28Å; N75-Q78 PolarHBondContact OD1-N 3.14Å; N75-R79 PolarHBondContact O-N 2.82Å; N75-P585 HydrophobicContact CB-CB 4.26Å
76I89.4Confident76.9Confident3 Ų356 Ų562%0.01529%0.294CS..Hα-helixtrans-64.4-44.5-175.3-60.3174000110.4L74 Q78 R79 L80 Y113 L166 L174 L582 E586L74-I76 PolarHBondContact O-N 3.46Å; I76-Q78 PolarHBondContact O-N 3.36Å; I76-R79 PolarHBondContact O-N 3.07Å; I76-L80 HydrophobicContact CG2-CD1 3.99Å; I76-L80 HydrophobicContact CG2-CG 4.28Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 3.35Å; I76-Y113 HydrophobicContact CG2-CE2 4.02Å; I76-L166 HydrophobicContact CD1-CD1 4.48Å; I76-L166 HydrophobicContact CG2-CD1 4.24Å; I76-L166 HydrophobicContact CG2-CD2 4.22Å; I76-L174 HydrophobicContact CD1-CD1 4.39Å; I76-L174 HydrophobicContact CG1-CD1 4.45Å; I76-L582 HydrophobicContact CD1-CB 3.78Å; I76-L582 HydrophobicContact CD1-CD1 4.09Å; I76-E586 WeakPolarHBondContact CB-OE1 3.48Å
77N90.1Very high78.7Confident20 Ų2052.4 Ų52.411%0.10727%0.272CS..Hα-helixtrans-56.6-49.8176.7-167.1-55.2000112N75 R79 L80 Q81 V102 Y113 E586N75-N77 PolarHBondContact OD1-N 3.43Å; N77-R79 VanDerWaalsContact C-N 3.3Å; N77-R79 PolarHBondContact O-N 2.94Å; N77-L80 WeakPolarHBondContact O-CB 3.44Å; N77-L80 PolarHBondContact O-N 3.19Å; N77-Q81 WeakPolarHBondContact O-CG 3.48Å; N77-Q81 PolarHBondContact O-N 3.2Å; N77-Q81 PolarHBondContact OD1-NE2 3.33Å; N77-V102 PolarHBondContact ND2-O 2.89Å; N77-V102 PolarHBondContact OD1-O 3.32Å; N77-Y113 HydrophobicContact CB-CE1 4.09Å; N77-E586 HydrophobicContact CB-CG 4.2Å; N77-E586 WeakPolarHBondContact CB-OE1 3.48Å; N77-E586 PolarHBondContact N-OE1 2.96Å
78Q87.8Confident81Confident84 Ų8448 Ų4839%0.39324%0.244SC..Hα-helixtrans-58.7-43.2177.4-175.160.34700111.3N75 I76 L80 Q81 D82N75-Q78 HydrophobicContact CB-CB 3.96Å; N75-Q78 PolarHBondContact O-N 3.28Å; N75-Q78 PolarHBondContact OD1-N 3.14Å; I76-Q78 PolarHBondContact O-N 3.36Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.99Å; Q78-Q81 WeakPolarHBondContact O-CB 3.43Å; Q78-Q81 PolarHBondContact O-N 3.2Å; Q78-Q81 VanDerWaalsContact O-N 3.14Å; Q78-D82 PolarHBondContact NE2-OD1 2.87Å; Q78-D82 VanDerWaalsContact NE2-OD1 3.12Å; Q78-D82 VanDerWaalsContact O-CG 3.26Å; Q78-D82 PolarHBondContact O-N 3.06Å
79R87.8Confident83.1Confident103 Ų10345.7 Ų45.739%0.38923%0.228SC..Hα-helixtrans-67.4-36.3179.9-166.956.5176171.1-0.4112.7N75 I76 N77 D82 V83 L150N75-R79 PolarHBondContact O-N 2.82Å; I76-R79 PolarHBondContact O-N 3.07Å; N77-R79 VanDerWaalsContact C-N 3.3Å; N77-R79 PolarHBondContact O-N 2.94Å; R79-D82 IonicContact NH1-OD2 3.99Å; R79-D82 PolarHBondContact NH1-OD2 3.35Å; R79-D82 PolarHBondContact O-N 3.37Å; R79-V83 WeakPolarHBondContact O-CG2 3.49Å; R79-V83 PolarHBondContact O-N 2.77Å; R79-V83 VanDerWaalsContact O-N 3.12Å; R79-L150 HydrophobicContact CB-CD2 4.1Å; R79-L150 HydrophobicContact CG-CD1 3.71Å; R79-L150 HydrophobicContact CG-CD2 3.86Å; R79-L150 HydrophobicContact CG-CG 4.46Å
80L91Very high85.1Confident0 Ų045 Ų450%023%0.228CC..Hα-helixtrans-64-42.6171.1-70.8172.2000110.6I76 N77 Q78 D82 V83 F84 V102 Y113 I151 I164I76-L80 HydrophobicContact CG2-CD1 3.99Å; I76-L80 HydrophobicContact CG2-CG 4.28Å; I76-L80 WeakPolarHBondContact O-CG 3.4Å; I76-L80 PolarHBondContact O-N 3.35Å; N77-L80 WeakPolarHBondContact O-CB 3.44Å; N77-L80 PolarHBondContact O-N 3.19Å; Q78-L80 VanDerWaalsContact C-N 3.34Å; Q78-L80 PolarHBondContact O-N 2.99Å; L80-D82 VanDerWaalsContact C-N 3.3Å; L80-D82 PolarHBondContact O-N 2.91Å; L80-V83 PolarHBondContact O-N 3.18Å; L80-F84 WeakPolarHBondContact O-CB 3.4Å; L80-F84 VanDerWaalsContact O-CD2 3.29Å; L80-F84 WeakPolarHBondContact O-CD2 3.36Å; L80-F84 PolarHBondContact O-N 2.93Å; L80-V102 HydrophobicContact CB-CG1 3.99Å; L80-V102 HydrophobicContact CD1-CG1 4.19Å; L80-Y113 HydrophobicContact CD1-CD1 3.76Å; L80-Y113 HydrophobicContact CD1-CD2 3.75Å; L80-Y113 HydrophobicContact CD1-CE1 4.27Å; L80-Y113 HydrophobicContact CD1-CE2 4.3Å; L80-Y113 HydrophobicContact CD1-CG 3.5Å; L80-I151 HydrophobicContact CD2-CD1 4.02Å; L80-I151 HydrophobicContact CD2-CG1 3.91Å; L80-I164 HydrophobicContact CD2-CG2 4.23Å
81Q90.1Very high86.7Confident51 Ų5144.7 Ų44.724%0.23822%0.221CC..Hα-helixtrans-58.6-41.8174.9-70.6-179.212.400111.9N77 Q78 G85 L100 V102N77-Q81 WeakPolarHBondContact O-CG 3.48Å; N77-Q81 PolarHBondContact O-N 3.2Å; N77-Q81 PolarHBondContact OD1-NE2 3.33Å; Q78-Q81 WeakPolarHBondContact O-CB 3.43Å; Q78-Q81 PolarHBondContact O-N 3.2Å; Q78-Q81 VanDerWaalsContact O-N 3.14Å; Q81-G85 WeakPolarHBondContact O-CA 3.46Å; Q81-G85 PolarHBondContact O-N 3.42Å; Q81-L100 HydrophobicContact CB-CD2 3.76Å; Q81-L100 HydrophobicContact CG-CD2 3.96Å; Q81-L100 VanDerWaalsContact O-CD2 3.31Å; Q81-L100 WeakPolarHBondContact O-CD2 3.15Å; Q81-V102 HydrophobicContact CG-CB 3.87Å; Q81-V102 HydrophobicContact CG-CG2 3.85Å
82D88.3Confident87.7Confident64 Ų6438.6 Ų38.634%0.34220%0.195SC..Hα-helixtrans-61.5-48.3176.7-59.5-20.9000111.6Q78 R79 L80 G85 E86Q78-D82 PolarHBondContact NE2-OD1 2.87Å; Q78-D82 VanDerWaalsContact NE2-OD1 3.12Å; Q78-D82 VanDerWaalsContact O-CG 3.26Å; Q78-D82 PolarHBondContact O-N 3.06Å; R79-D82 IonicContact NH1-OD2 3.99Å; R79-D82 PolarHBondContact NH1-OD2 3.35Å; R79-D82 PolarHBondContact O-N 3.37Å; L80-D82 VanDerWaalsContact C-N 3.3Å; L80-D82 PolarHBondContact O-N 2.91Å; D82-G85 PolarHBondContact O-N 3.47Å; D82-E86 PolarHBondContact O-N 3.41Å
83V90.3Very high88Confident10 Ų1041.2 Ų41.26%0.06121%0.212CC..Hα-helixtrans-62.1-46.8-1801700000111.1R79 L80 G85 E86 A87 L145 P146 L150 I151R79-V83 WeakPolarHBondContact O-CG2 3.49Å; R79-V83 PolarHBondContact O-N 2.77Å; R79-V83 VanDerWaalsContact O-N 3.12Å; L80-V83 PolarHBondContact O-N 3.18Å; V83-G85 VanDerWaalsContact C-N 3.32Å; V83-E86 PolarHBondContact O-N 2.98Å; V83-A87 PolarHBondContact O-N 2.82Å; V83-A87 VanDerWaalsContact O-N 3.07Å; V83-L145 HydrophobicContact CG1-CD2 3.87Å; V83-P146 HydrophobicContact CG1-CG 4.12Å; V83-L150 HydrophobicContact CG2-CD1 4.48Å; V83-I151 HydrophobicContact CG1-CD1 4.34Å
84F90.9Very high87.8Confident0 Ų046.9 Ų46.90%024%0.242CC..Hα-helixtrans-67.9-33.8176.1-85.3-82.9000111.8L80 A87 I88 L100 V102 C115 I141 L145 I151 I162 I164L80-F84 WeakPolarHBondContact O-CB 3.4Å; L80-F84 VanDerWaalsContact O-CD2 3.29Å; L80-F84 WeakPolarHBondContact O-CD2 3.36Å; L80-F84 PolarHBondContact O-N 2.93Å; F84-A87 PolarHBondContact O-N 2.92Å; F84-I88 VanDerWaalsContact O-CB 3.26Å; F84-I88 WeakPolarHBondContact O-CB 3.38Å; F84-I88 WeakPolarHBondContact O-CD1 3.39Å; F84-I88 WeakPolarHBondContact O-CG1 3.48Å; F84-I88 PolarHBondContact O-N 3.18Å; F84-L100 HydrophobicContact CB-CD2 4.13Å; F84-V102 HydrophobicContact CD2-CG2 4.41Å; F84-C115 HydrophobicContact CD1-CB 4.16Å; F84-C115 HydrophobicContact CE1-CB 4.01Å; F84-C115 HydrophobicContact CE2-CB 4.49Å; F84-C115 HydrophobicContact CG-CB 4.47Å; F84-C115 HydrophobicContact CZ-CB 4.19Å; F84-I141 HydrophobicContact CD1-CG2 3.78Å; F84-I141 HydrophobicContact CE1-CG2 4.03Å; F84-L145 HydrophobicContact CD1-CD2 4.19Å; F84-L145 HydrophobicContact CE1-CD1 4.42Å; F84-L145 HydrophobicContact CE1-CD2 4.05Å; F84-L145 HydrophobicContact CE2-CD2 4.46Å; F84-L145 HydrophobicContact CG-CD2 4.47Å; F84-L145 HydrophobicContact CZ-CD1 4.38Å; F84-L145 HydrophobicContact CZ-CD2 4.19Å; F84-I151 HydrophobicContact CE2-CD1 4.21Å; F84-I162 HydrophobicContact CE1-CD1 4.01Å; F84-I162 HydrophobicContact CE1-CG2 4.05Å; F84-I162 HydrophobicContact CZ-CG2 4.03Å; F84-I164 HydrophobicContact CD2-CD1 4.31Å; F84-I164 HydrophobicContact CE2-CD1 3.35Å; F84-I164 HydrophobicContact CE2-CG1 3.94Å; F84-I164 HydrophobicContact CZ-CD1 3.68Å; F84-I164 HydrophobicContact CZ-CG1 3.87Å
85G88.7Confident87.5Confident7 Ų744.2 Ų44.27%0.07223%0.228CC..Hα-helixtrans-65.6-36.3175.800000113.3Q81 D82 V83 R89 L100Q81-G85 WeakPolarHBondContact O-CA 3.46Å; Q81-G85 PolarHBondContact O-N 3.42Å; D82-G85 PolarHBondContact O-N 3.47Å; V83-G85 VanDerWaalsContact C-N 3.32Å; G85-R89 WeakPolarHBondContact O-CB 3.09Å; G85-R89 VanDerWaalsContact O-CG 3.31Å; G85-R89 WeakPolarHBondContact O-CG 3.31Å; G85-R89 PolarHBondContact O-N 2.91Å; G85-R89 VanDerWaalsContact O-N 3.14Å; G85-R89 PolarHBondContact O-NE 2.99Å; G85-L100 VanDerWaalsContact CA-CD1 3.49Å
86E87.9Confident87.1Confident106 Ų10648.2 Ų48.250%0.49525%0.25SC..Hα-helixtrans-67.6-48.2171.2-173.6169.6-168.100111.3D82 V83 I88 R89 A90D82-E86 PolarHBondContact O-N 3.41Å; V83-E86 PolarHBondContact O-N 2.98Å; E86-I88 VanDerWaalsContact C-N 3.32Å; E86-I88 PolarHBondContact O-N 3.39Å; E86-R89 PolarHBondContact O-N 3.29Å; E86-A90 WeakPolarHBondContact O-CB 3.29Å; E86-A90 PolarHBondContact O-N 3.42Å
87A89.4Confident86.5Confident0 Ų054.8 Ų54.80%029%0.285CS..Hα-helixtrans-61-38.9178.500000113V83 F84 S91 I141 N144 L145V83-A87 PolarHBondContact O-N 2.82Å; V83-A87 VanDerWaalsContact O-N 3.07Å; F84-A87 PolarHBondContact O-N 2.92Å; A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 3.47Å; A87-S91 PolarHBondContact O-N 3.39Å; A87-S91 PolarHBondContact O-OG 2.99Å; A87-I141 HydrophobicContact CB-CG2 4.26Å; A87-N144 WeakPolarHBondContact CB-O 2.82Å; A87-L145 HydrophobicContact CB-CD2 3.86Å; A87-L145 HydrophobicContact CB-CG 4.28Å
88I89.4Confident86.2Confident1 Ų155.1 Ų55.11%0.00529%0.288CS..Hα-helixtrans-67.4-47.1177.1-72.7165.3000110.7F84 E86 A90 S91 F92 P98 L100 M121 I141F84-I88 VanDerWaalsContact O-CB 3.26Å; F84-I88 WeakPolarHBondContact O-CB 3.38Å; F84-I88 WeakPolarHBondContact O-CD1 3.39Å; F84-I88 WeakPolarHBondContact O-CG1 3.48Å; F84-I88 PolarHBondContact O-N 3.18Å; E86-I88 VanDerWaalsContact C-N 3.32Å; E86-I88 PolarHBondContact O-N 3.39Å; I88-A90 VanDerWaalsContact C-N 3.3Å; I88-A90 PolarHBondContact O-N 2.87Å; I88-S91 PolarHBondContact O-N 3.45Å; I88-S91 VanDerWaalsContact O-N 3.16Å; I88-F92 PolarHBondContact O-N 3.34Å; I88-P98 HydrophobicContact CG2-CB 3.67Å; I88-P98 HydrophobicContact CG2-CG 3.41Å; I88-P98 VanDerWaalsContact CG2-CG 3.41Å; I88-L100 HydrophobicContact CD1-CG 4.36Å; I88-M121 HydrophobicContact CD1-SD 4.35Å; I88-M121 HydrophobicContact CG1-SD 4.24Å; I88-M121 HydrophobicContact CG2-CE 3.68Å; I88-M121 HydrophobicContact CG2-SD 3.83Å; I88-I141 HydrophobicContact CD1-CD1 4.45Å; I88-I141 HydrophobicContact CG1-CD1 3.82Å; I88-I141 HydrophobicContact CG1-CG1 3.94Å; I88-I141 HydrophobicContact CG1-CG2 4.22Å
89R87.6Confident86.1Confident121 Ų12153.3 Ų53.346%0.45728%0.284SS..Hα-helixtrans-62.1-38.4177.9-79.2-179.8-74.8161.2-6.1112G85 E86 P93G85-R89 WeakPolarHBondContact O-CB 3.09Å; G85-R89 VanDerWaalsContact O-CG 3.31Å; G85-R89 WeakPolarHBondContact O-CG 3.31Å; G85-R89 PolarHBondContact O-N 2.91Å; G85-R89 VanDerWaalsContact O-N 3.14Å; G85-R89 PolarHBondContact O-NE 2.99Å; E86-R89 PolarHBondContact O-N 3.29Å; R89-P93 WeakPolarHBondContact O-CA 3.37Å
90A86.6Confident86.1Confident69 Ų6951.5 Ų51.557%0.5728%0.281SS*.Hα-helixtrans-66.6-38174.800000112.2E86 I88E86-A90 WeakPolarHBondContact O-CB 3.29Å; E86-A90 PolarHBondContact O-N 3.42Å; I88-A90 VanDerWaalsContact C-N 3.3Å; I88-A90 PolarHBondContact O-N 2.87Å
91S86.3Confident86Confident21 Ų2153.3 Ų53.315%0.14730%0.296CS..Hα-helixtrans-76.6-34.9-178.9-60.70000113.8A87 I88 K140 N144A87-S91 VanDerWaalsContact O-CB 3.31Å; A87-S91 WeakPolarHBondContact O-CB 3.47Å; A87-S91 PolarHBondContact O-N 3.39Å; A87-S91 PolarHBondContact O-OG 2.99Å; I88-S91 PolarHBondContact O-N 3.45Å; I88-S91 VanDerWaalsContact O-N 3.16Å; S91-K140 PolarHBondContact OG-O 3.42Å; S91-N144 WeakPolarHBondContact OG-CB 3.24Å; S91-N144 PolarHBondContact OG-ND2 2.69Å
92F85.9Confident86Confident26 Ų2651.1 Ų51.111%0.11429%0.286CS..  trans-139.772.9-172.9-61.3-84.5000111I88 D94 L95 M121 L125 I137 K140 I141I88-F92 PolarHBondContact O-N 3.34Å; F92-D94 PolarHBondContact O-N 2.86Å; F92-L95 HydrophobicContact CB-CB 4.29Å; F92-L95 PolarHBondContact O-N 3.01Å; F92-M121 HydrophobicContact CB-CE 3.99Å; F92-M121 HydrophobicContact CD2-CE 3.37Å; F92-M121 HydrophobicContact CE2-CE 3.97Å; F92-M121 HydrophobicContact CG-CE 3.76Å; F92-L125 HydrophobicContact CD1-CD1 4.34Å; F92-L125 HydrophobicContact CE1-CD1 4.12Å; F92-I137 HydrophobicContact CE2-CB 4.49Å; F92-I137 HydrophobicContact CE2-CG2 3.77Å; F92-I137 HydrophobicContact CZ-CB 4.23Å; F92-I137 HydrophobicContact CZ-CG1 4.03Å; F92-I137 HydrophobicContact CZ-CG2 3.94Å; F92-K140 HydrophobicContact CE1-CD 4.46Å; F92-K140 HydrophobicContact CE2-CB 4.31Å; F92-K140 HydrophobicContact CZ-CB 4.36Å; F92-K140 HydrophobicContact CZ-CD 3.87Å; F92-I141 HydrophobicContact CE2-CG1 4.44Å
93P81.9Confident86Confident78 Ų7850.8 Ų50.851%0.50629%0.287SS..THydrogen-bonded Turntrans-66.9-22.9-176.126.7-35.1000113.8R89 L95R89-P93 WeakPolarHBondContact O-CA 3.37Å; P93-L95 VanDerWaalsContact C-N 3.28Å; P93-L95 PolarHBondContact O-N 2.84Å
94D80.7Confident85.9Confident130 Ų13052.6 Ų52.670%0.69530%0.298SS*.THydrogen-bonded Turntrans-85.12.7-177.8-53.1-40.5000113.7F92 K128F92-D94 PolarHBondContact O-N 2.86Å; D94-K128 PolarHBondContact O-NZ 3.21Å
95L80.2Confident85.7Confident12 Ų1254.1 Ų54.16%0.06331%0.307CS..  trans-103.6105.2-177.5-150.8126000110.1F92 P93 N97 P98 M124 L125F92-L95 HydrophobicContact CB-CB 4.29Å; F92-L95 PolarHBondContact O-N 3.01Å; P93-L95 VanDerWaalsContact C-N 3.28Å; P93-L95 PolarHBondContact O-N 2.84Å; L95-N97 PolarHBondContact O-N 3.41Å; L95-P98 HydrophobicContact CD2-CB 3.58Å; L95-P98 HydrophobicContact CD2-CG 4.45Å; L95-P98 WeakPolarHBondContact O-CD 3.32Å; L95-M124 HydrophobicContact CD1-CB 4.32Å; L95-M124 HydrophobicContact CD2-CE 3.78Å; L95-M124 HydrophobicContact CD2-SD 3.87Å; L95-M124 HydrophobicContact CG-CE 4.37Å; L95-L125 HydrophobicContact CD1-CD1 4.46Å; L95-L125 HydrophobicContact CD1-CD2 3.5Å; L95-L125 VanDerWaalsContact CD1-CD2 3.5Å; L95-L125 HydrophobicContact CD1-CG 3.62Å
96D77.9Confident85.1Confident107 Ų10763.1 Ų63.157%0.57235%0.347SS*.SBendtrans-68.2128175.1-56.6-61.6000110.8M124 K128D96-M124 WeakPolarHBondContact O-CE 2.91Å; D96-K128 IonicContact OD2-NZ 3.69Å
97N78.4Confident84.7Confident140 Ų14062.7 Ų62.775%0.74935%0.345SS*.SBendtrans47.262.8174.6-64.6-22.6000114.5L95L95-N97 PolarHBondContact O-N 3.41Å
98P84.2Confident84.1Confident28 Ų2866.6 Ų66.618%0.18238%0.377CS..  trans-60.6145.5175.324-30.9000111.2I88 L95 L100 M121I88-P98 HydrophobicContact CG2-CB 3.67Å; I88-P98 HydrophobicContact CG2-CG 3.41Å; I88-P98 VanDerWaalsContact CG2-CG 3.41Å; L95-P98 HydrophobicContact CD2-CB 3.58Å; L95-P98 HydrophobicContact CD2-CG 4.45Å; L95-P98 WeakPolarHBondContact O-CD 3.32Å; P98-L100 PolarHBondContact O-N 2.77Å; P98-M121 HydrophobicContact CB-CE 4.33Å; P98-M121 HydrophobicContact CB-CG 4.16Å; P98-M121 HydrophobicContact CB-SD 4.22Å
99P84.7Confident83.8Confident46 Ų4673.5 Ų73.530%0.29941%0.407SS..  trans-62.8130.8175.525.3-33000109.8S117 M121 M124P99-S117 WeakPolarHBondContact O-CB 3.4Å; P99-S117 PolarHBondContact O-OG 2.95Å; P99-M121 HydrophobicContact CG-CG 4.14Å; P99-M124 VanDerWaalsContact CD-SD 3.58Å
100L88.5Confident83.7Confident65 Ų6571.4 Ų71.434%0.3440%0.401SS..  trans-118.589.7-178.5-132.5167.3000108.3Q81 F84 G85 I88 P98 V102 S117Q81-L100 HydrophobicContact CB-CD2 3.76Å; Q81-L100 HydrophobicContact CG-CD2 3.96Å; Q81-L100 VanDerWaalsContact O-CD2 3.31Å; Q81-L100 WeakPolarHBondContact O-CD2 3.15Å; F84-L100 HydrophobicContact CB-CD2 4.13Å; G85-L100 VanDerWaalsContact CA-CD1 3.49Å; I88-L100 HydrophobicContact CD1-CG 4.36Å; P98-L100 PolarHBondContact O-N 2.77Å; L100-V102 HydrophobicContact CD2-CG2 4.2Å; L100-S117 WeakPolarHBondContact CA-OG 3.5Å
101A87.8Confident83.7Confident38 Ų3868.1 Ų68.131%0.31437%0.374SS..  trans-116.585-168.500000110C115 N116 S117A101-C115 WeakPolarHBondContact O-CA 3.33Å; A101-N116 HydrophobicContact CB-CB 4.14Å; A101-N116 PolarHBondContact O-N 3.21Å; A101-S117 PolarHBondContact N-OG 3.23Å; A101-S117 VanDerWaalsContact N-OG 3.09Å
102V90.4Very high84Confident5 Ų567.7 Ų67.73%0.0337%0.37CS..EExtended strand (participates in β ladder)trans-102.5123.7173.9-176.50000109.3N77 L80 Q81 F84 L100 Y113 Q114 C115 I164N77-V102 PolarHBondContact ND2-O 2.89Å; N77-V102 PolarHBondContact OD1-O 3.32Å; L80-V102 HydrophobicContact CB-CG1 3.99Å; L80-V102 HydrophobicContact CD1-CG1 4.19Å; Q81-V102 HydrophobicContact CG-CB 3.87Å; Q81-V102 HydrophobicContact CG-CG2 3.85Å; F84-V102 HydrophobicContact CD2-CG2 4.41Å; L100-V102 HydrophobicContact CD2-CG2 4.2Å; V102-Y113 HydrophobicContact CG1-CD1 4.14Å; V102-Q114 CarbonylContact C-O 3.49Å; V102-Q114 WeakPolarHBondContact CA-O 3.32Å; V102-C115 HydrophobicContact CG2-CB 4.26Å; V102-I164 HydrophobicContact CG1-CD1 4.5Å
103T89.1Confident84.3Confident57 Ų5766.8 Ų66.835%0.3537%0.366SS..EExtended strand (participates in β ladder)trans-130.9144.8-178.653.60000111.1Y113 Q114T103-Y113 CarbonylContact O-C 3.4Å; T103-Y113 WeakPolarHBondContact O-CA 3.33Å; T103-Q114 PolarHBondContact N-O 2.93Å; T103-Q114 PolarHBondContact O-N 2.79Å
104P88.2Confident84.9Confident47 Ų4764.5 Ų64.531%0.30535%0.349SS..EExtended strand (participates in β ladder)trans-65.3140.4172.628.4-34000110.3Y113P104-Y113 HydrophobicContact CB-CD1 4.28Å; P104-Y113 HydrophobicContact CB-CE1 4.09Å
105N86.9Confident85.5Confident32 Ų3258.3 Ų58.317%0.17132%0.316CS..  trans-85.2136.9176.3-93.5-30.6000111.4F110 G111 D112 Y113 Q114N105-F110 PolarHBondContact ND2-O 2.85Å; N105-G111 WeakPolarHBondContact CB-O 3.32Å; N105-D112 PolarHBondContact N-O 3.18Å; N105-Y113 PolarHBondContact ND2-O 2.84Å; N105-Q114 PolarHBondContact OD1-OE1 3.47Å
106Q74.7Confident86.1Confident196 Ų19659.6 Ų59.692%0.91632%0.322SS*.SBendtrans-80.8-27.8176.5-65.6-176.6-7.400112.6
107Q79.2Confident86.7Confident98 Ų9854.5 Ų54.546%0.45830%0.296SS..SBendtrans-111.3121.1-176.1-62.6179.46.400110K109 F110Q107-K109 HydrophobicContact CB-CG 4.09Å; Q107-K109 PolarHBondContact O-N 3.34Å; Q107-F110 HydrophobicContact CB-CD2 4.01Å; Q107-F110 HydrophobicContact CB-CE2 4.45Å; Q107-F110 PolarHBondContact O-N 2.59Å
108A78Confident87.3Confident81 Ų8147.9 Ų47.967%0.66926%0.26SS*.G310 helixtrans-57.1-26.5-177.200000114F110 G111A108-F110 PolarHBondContact O-N 2.89Å; A108-G111 PolarHBondContact O-N 2.84Å
109K82.8Confident87.5Confident146 Ų14649.4 Ų49.464%0.63527%0.266SS*.G310 helixtrans-63.3-17.7176.463.7164.6171.6172.20114.5Q107Q107-K109 HydrophobicContact CB-CG 4.09Å; Q107-K109 PolarHBondContact O-N 3.34Å
110F84.7Confident87.7Confident77 Ų7748.3 Ų48.334%0.33826%0.262SS..G310 helixtrans-103.314.7177.2-59.5-51.9000111.7N105 Q107 A108 N163N105-F110 PolarHBondContact ND2-O 2.85Å; Q107-F110 HydrophobicContact CB-CD2 4.01Å; Q107-F110 HydrophobicContact CB-CE2 4.45Å; Q107-F110 PolarHBondContact O-N 2.59Å; A108-F110 PolarHBondContact O-N 2.89Å; F110-N163 WeakPolarHBondContact O-CB 3.41Å; F110-N163 PolarHBondContact O-OD1 3.47Å
111G88.2Confident87.7Confident1 Ų145.2 Ų45.21%0.0125%0.246CC..  trans81.6-166.2-174.800000113.1N105 A108 H165N105-G111 WeakPolarHBondContact CB-O 3.32Å; A108-G111 PolarHBondContact O-N 2.84Å; G111-H165 WeakPolarHBondContact CA-CE1 3.44Å
112D90.9Very high87.7Confident11 Ų1143.9 Ų43.96%0.05924%0.235CC..SBendtrans-91.5-39.6-171.8-53.5-51.5000111.8N105 I164 H165 L166 W575 K579N105-D112 PolarHBondContact N-O 3.18Å; D112-I164 PolarHBondContact N-O 2.92Å; D112-H165 WeakPolarHBondContact OD2-CA 3.48Å; D112-L166 HydrophobicContact CB-CD1 4.35Å; D112-L166 HydrophobicContact CB-CG 4.17Å; D112-L166 PolarHBondContact OD2-N 3.41Å; D112-W575 PolarHBondContact OD1-NE1 3.05Å; D112-W575 VanDerWaalsContact OD1-NE1 3.16Å; D112-W575 WeakPolarHBondContact OD2-CZ2 3.47Å; D112-K579 HydrophobicContact CB-CD 4.07Å; D112-K579 WeakPolarHBondContact OD1-CD 3.36Å; D112-K579 WeakPolarHBondContact OD1-CE 3.48Å; D112-K579 IonicContact OD1-NZ 3.63Å; D112-K579 PolarHBondContact OD1-NZ 3.09Å
113Y93.7Very high87.6Confident8 Ų850.5 Ų50.53%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-132.2162.4176-68.6-104.2000110.2I76 N77 L80 V102 T103 P104 N105 I164 L166 E586I76-Y113 HydrophobicContact CG2-CE2 4.02Å; N77-Y113 HydrophobicContact CB-CE1 4.09Å; L80-Y113 HydrophobicContact CD1-CD1 3.76Å; L80-Y113 HydrophobicContact CD1-CD2 3.75Å; L80-Y113 HydrophobicContact CD1-CE1 4.27Å; L80-Y113 HydrophobicContact CD1-CE2 4.3Å; L80-Y113 HydrophobicContact CD1-CG 3.5Å; V102-Y113 HydrophobicContact CG1-CD1 4.14Å; T103-Y113 CarbonylContact O-C 3.4Å; T103-Y113 WeakPolarHBondContact O-CA 3.33Å; P104-Y113 HydrophobicContact CB-CD1 4.28Å; P104-Y113 HydrophobicContact CB-CE1 4.09Å; N105-Y113 PolarHBondContact ND2-O 2.84Å; Y113-I164 PolarHBondContact N-O 3.46Å; Y113-I164 PolarHBondContact O-N 3.43Å; Y113-L166 HydrophobicContact CD2-CD1 4.31Å; Y113-L166 HydrophobicContact CD2-CG 4.47Å; Y113-L166 HydrophobicContact CE2-CD1 3.9Å; Y113-E586 WeakPolarHBondContact CE1-OE1 3.32Å; Y113-E586 PolarHBondContact OH-OE1 3.15Å; Y113-E586 PolarHBondContact OH-OE2 3.48Å
114Q93.9Very high87.5Confident30 Ų3050.9 Ų50.914%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-132.3132.8176.7-162.8179.923.600109.9V102 T103 N105 N116 F161 I162V102-Q114 CarbonylContact C-O 3.49Å; V102-Q114 WeakPolarHBondContact CA-O 3.32Å; T103-Q114 PolarHBondContact N-O 2.93Å; T103-Q114 PolarHBondContact O-N 2.79Å; N105-Q114 PolarHBondContact OD1-OE1 3.47Å; Q114-N116 VanDerWaalsContact CD-OD1 3.22Å; Q114-N116 WeakPolarHBondContact CG-OD1 3.32Å; Q114-N116 PolarHBondContact OE1-OD1 2.89Å; Q114-F161 HydrophobicContact CG-CB 4.36Å; Q114-F161 VanDerWaalsContact NE2-CB 3.28Å; Q114-I162 CarbonylContact C-O 3.01Å; Q114-I162 WeakPolarHBondContact CA-O 3.34Å
115C93.2Very high87.4Confident0 Ų049.8 Ų49.80%026%0.256CS..EExtended strand (participates in β ladder)trans-100.5122.1167.5176.90000109.9F84 A101 V102 I162 I164F84-C115 HydrophobicContact CD1-CB 4.16Å; F84-C115 HydrophobicContact CE1-CB 4.01Å; F84-C115 HydrophobicContact CE2-CB 4.49Å; F84-C115 HydrophobicContact CG-CB 4.47Å; F84-C115 HydrophobicContact CZ-CB 4.19Å; A101-C115 WeakPolarHBondContact O-CA 3.33Å; V102-C115 HydrophobicContact CG2-CB 4.26Å; C115-I162 HydrophobicContact CB-CB 4.14Å; C115-I162 PolarHBondContact N-O 3.37Å; C115-I162 PolarHBondContact O-N 2.82Å; C115-I164 HydrophobicContact CB-CD1 4.33Å
116N92.4Very high87.4Confident38 Ų3855 Ų5520%0.20328%0.277CS..  trans-106.18.9-175.2-63.9-30.9000112.9A101 Q114 A118 M119 F161A101-N116 HydrophobicContact CB-CB 4.14Å; A101-N116 PolarHBondContact O-N 3.21Å; Q114-N116 VanDerWaalsContact CD-OD1 3.22Å; Q114-N116 WeakPolarHBondContact CG-OD1 3.32Å; Q114-N116 PolarHBondContact OE1-OD1 2.89Å; N116-A118 VanDerWaalsContact C-N 3.33Å; N116-A118 PolarHBondContact O-N 2.81Å; N116-M119 HydrophobicContact CB-CE 4.49Å; N116-F161 WeakPolarHBondContact OD1-CD1 3.35Å
117S91.3Very high87.9Confident1 Ų150 Ų501%0.00727%0.269CS..Hα-helixtrans-62.2-33.5-174.3-71.20000114.8P99 L100 A101 M119 G120 M121P99-S117 WeakPolarHBondContact O-CB 3.4Å; P99-S117 PolarHBondContact O-OG 2.95Å; L100-S117 WeakPolarHBondContact CA-OG 3.5Å; A101-S117 PolarHBondContact N-OG 3.23Å; A101-S117 VanDerWaalsContact N-OG 3.09Å; S117-M119 VanDerWaalsContact C-N 3.28Å; S117-M119 PolarHBondContact O-N 2.82Å; S117-G120 PolarHBondContact O-N 2.81Å; S117-M121 WeakPolarHBondContact O-CG 3.4Å; S117-M121 PolarHBondContact O-N 3.34Å
118A90.3Very high88.1Confident0 Ų051 Ų510%027%0.272CS..Hα-helixtrans-60.7-35.2-171.100000113.5N116 A122 P134 I137 A138 G160N116-A118 VanDerWaalsContact C-N 3.33Å; N116-A118 PolarHBondContact O-N 2.81Å; A118-A122 WeakPolarHBondContact O-CB 3.13Å; A118-A122 PolarHBondContact O-N 3.46Å; A118-P134 WeakPolarHBondContact CB-O 3.37Å; A118-I137 HydrophobicContact CB-CB 4.26Å; A118-I137 HydrophobicContact CB-CG2 4.03Å; A118-A138 HydrophobicContact CB-CB 4Å; A118-G160 WeakPolarHBondContact CB-O 3.46Å
119M88.8Confident88.2Confident61 Ų6150.4 Ų50.430%0.327%0.274SS..Hα-helixtrans-69.3-44.6178.4-67.2-176.1-70.300112.4N116 S117 M121 A122 Q123 P134 P159 F161N116-M119 HydrophobicContact CB-CE 4.49Å; S117-M119 VanDerWaalsContact C-N 3.28Å; S117-M119 PolarHBondContact O-N 2.82Å; M119-M121 VanDerWaalsContact C-N 3.32Å; M119-A122 PolarHBondContact O-N 2.71Å; M119-Q123 PolarHBondContact O-N 3Å; M119-Q123 VanDerWaalsContact O-N 3.17Å; M119-P134 HydrophobicContact CG-CB 4.3Å; M119-P159 HydrophobicContact SD-CG 4.11Å; M119-F161 HydrophobicContact CE-CD1 3.95Å; M119-F161 HydrophobicContact CE-CE1 3.26Å; M119-F161 HydrophobicContact CE-CZ 3.83Å; M119-F161 HydrophobicContact SD-CE1 4.22Å; M119-F161 HydrophobicContact SD-CZ 4.28Å
120G88.8Confident88.3Confident22 Ų2247.1 Ų47.123%0.22727%0.266CS..Hα-helixtrans-65-39.4177.200000111.5S117 A122 Q123 M124S117-G120 PolarHBondContact O-N 2.81Å; G120-A122 PolarHBondContact O-N 3.07Å; G120-Q123 WeakPolarHBondContact O-CB 3.36Å; G120-Q123 PolarHBondContact O-N 3.18Å; G120-M124 WeakPolarHBondContact O-CG 3.35Å; G120-M124 PolarHBondContact O-N 3.32Å
121M87.9Confident88.4Confident0 Ų052.5 Ų52.50%029%0.289CS..Hα-helixtrans-63.5-41174.2-69.2-179.570.700112.6I88 F92 P98 P99 S117 M119 Q123 M124 L125 I137 I141I88-M121 HydrophobicContact CD1-SD 4.35Å; I88-M121 HydrophobicContact CG1-SD 4.24Å; I88-M121 HydrophobicContact CG2-CE 3.68Å; I88-M121 HydrophobicContact CG2-SD 3.83Å; F92-M121 HydrophobicContact CB-CE 3.99Å; F92-M121 HydrophobicContact CD2-CE 3.37Å; F92-M121 HydrophobicContact CE2-CE 3.97Å; F92-M121 HydrophobicContact CG-CE 3.76Å; P98-M121 HydrophobicContact CB-CE 4.33Å; P98-M121 HydrophobicContact CB-CG 4.16Å; P98-M121 HydrophobicContact CB-SD 4.22Å; P99-M121 HydrophobicContact CG-CG 4.14Å; S117-M121 WeakPolarHBondContact O-CG 3.4Å; S117-M121 PolarHBondContact O-N 3.34Å; M119-M121 VanDerWaalsContact C-N 3.32Å; M121-Q123 VanDerWaalsContact C-N 3.27Å; M121-Q123 PolarHBondContact O-N 3.05Å; M121-M124 PolarHBondContact O-N 3.4Å; M121-L125 WeakPolarHBondContact O-CB 3.49Å; M121-L125 WeakPolarHBondContact O-CG 3.35Å; M121-L125 PolarHBondContact O-N 3.43Å; M121-I137 HydrophobicContact CB-CD1 4.25Å; M121-I137 HydrophobicContact CB-CG2 4.19Å; M121-I137 HydrophobicContact CE-CG2 4.31Å; M121-I137 HydrophobicContact SD-CG2 4.16Å; M121-I141 HydrophobicContact SD-CD1 4.04Å
122A88.8Confident88.3Confident11 Ų1154 Ų549%0.09130%0.298CS..Hα-helixtrans-60.4-38175.400000112.1A118 M119 G120 K126 P134 I137A118-A122 WeakPolarHBondContact O-CB 3.13Å; A118-A122 PolarHBondContact O-N 3.46Å; M119-A122 PolarHBondContact O-N 2.71Å; G120-A122 PolarHBondContact O-N 3.07Å; A122-K126 VanDerWaalsContact O-CB 3.27Å; A122-K126 WeakPolarHBondContact O-CB 3.35Å; A122-K126 PolarHBondContact O-N 3.44Å; A122-P134 HydrophobicContact CB-CB 4.02Å; A122-P134 HydrophobicContact CB-CG 3.64Å; A122-I137 HydrophobicContact CB-CD1 3.7Å
123Q87.6Confident88.3Confident144 Ų14457.2 Ų57.267%0.67332%0.315SS*.Hα-helixtrans-66.9-43175.2-68.9178.5-4.300112M119 G120 M121 K126 A127M119-Q123 PolarHBondContact O-N 3Å; M119-Q123 VanDerWaalsContact O-N 3.17Å; G120-Q123 WeakPolarHBondContact O-CB 3.36Å; G120-Q123 PolarHBondContact O-N 3.18Å; M121-Q123 VanDerWaalsContact C-N 3.27Å; M121-Q123 PolarHBondContact O-N 3.05Å; Q123-K126 PolarHBondContact O-N 3.2Å; Q123-A127 PolarHBondContact O-N 2.9Å
124M87.1Confident88.2Confident65 Ų6558.3 Ų58.332%0.3232%0.323SS..Hα-helixtrans-63.7-44.3176.5-70.6-179.973.600112.3L95 D96 P99 G120 M121 K126 A127 K128L95-M124 HydrophobicContact CD1-CB 4.32Å; L95-M124 HydrophobicContact CD2-CE 3.78Å; L95-M124 HydrophobicContact CD2-SD 3.87Å; L95-M124 HydrophobicContact CG-CE 4.37Å; D96-M124 WeakPolarHBondContact O-CE 2.91Å; P99-M124 VanDerWaalsContact CD-SD 3.58Å; G120-M124 WeakPolarHBondContact O-CG 3.35Å; G120-M124 PolarHBondContact O-N 3.32Å; M121-M124 PolarHBondContact O-N 3.4Å; M124-K126 VanDerWaalsContact C-N 3.32Å; M124-K126 PolarHBondContact O-N 2.87Å; M124-A127 WeakPolarHBondContact O-CB 3.5Å; M124-A127 PolarHBondContact O-N 3.2Å; M124-K128 PolarHBondContact O-N 2.86Å
125L86.2Confident88.1Confident23 Ų2362.4 Ų62.412%0.1234%0.338CS..Hα-helixtrans-63.5-40.3176.4-73.4170.6000111.4F92 L95 M121 A127 K128 G129 T130 V132 I137F92-L125 HydrophobicContact CD1-CD1 4.34Å; F92-L125 HydrophobicContact CE1-CD1 4.12Å; L95-L125 HydrophobicContact CD1-CD1 4.46Å; L95-L125 HydrophobicContact CD1-CD2 3.5Å; L95-L125 VanDerWaalsContact CD1-CD2 3.5Å; L95-L125 HydrophobicContact CD1-CG 3.62Å; M121-L125 WeakPolarHBondContact O-CB 3.49Å; M121-L125 WeakPolarHBondContact O-CG 3.35Å; M121-L125 PolarHBondContact O-N 3.43Å; L125-A127 VanDerWaalsContact C-N 3.29Å; L125-A127 PolarHBondContact O-N 2.86Å; L125-K128 CarbonylContact O-C 3.6Å; L125-K128 WeakPolarHBondContact O-CA 3.37Å; L125-K128 PolarHBondContact O-N 3.11Å; L125-K128 VanDerWaalsContact O-N 3.09Å; L125-G129 PolarHBondContact O-N 2.8Å; L125-T130 CarbonylContact C-O 3.54Å; L125-T130 PolarHBondContact O-N 2.86Å; L125-T130 VanDerWaalsContact O-O 3.05Å; L125-V132 HydrophobicContact CD1-CB 4.39Å; L125-V132 HydrophobicContact CD1-CG2 4.08Å; L125-I137 HydrophobicContact CD1-CD1 3.84Å
126K86.9Confident88Confident141 Ų14166.9 Ų66.961%0.61336%0.359SS*.Hα-helixtrans-60.8-39.8174.5-174.1-175.1177.1-170.10111.5A122 Q123 M124 K128 G129 T130A122-K126 VanDerWaalsContact O-CB 3.27Å; A122-K126 WeakPolarHBondContact O-CB 3.35Å; A122-K126 PolarHBondContact O-N 3.44Å; Q123-K126 PolarHBondContact O-N 3.2Å; M124-K126 VanDerWaalsContact C-N 3.32Å; M124-K126 PolarHBondContact O-N 2.87Å; K126-K128 VanDerWaalsContact C-N 3.3Å; K126-K128 PolarHBondContact O-N 3.37Å; K126-G129 PolarHBondContact O-N 3.46Å; K126-T130 WeakPolarHBondContact CA-O 3.48Å; K126-T130 PolarHBondContact N-O 2.95Å; K126-T130 VanDerWaalsContact N-O 3.15Å
127A85.6Confident87.9Confident91 Ų9165.1 Ų65.175%0.75235%0.349SS*.Hα-helixtrans-65.1-32.8175.300000112.6Q123 M124 L125 G129Q123-A127 PolarHBondContact O-N 2.9Å; M124-A127 WeakPolarHBondContact O-CB 3.5Å; M124-A127 PolarHBondContact O-N 3.2Å; L125-A127 VanDerWaalsContact C-N 3.29Å; L125-A127 PolarHBondContact O-N 2.86Å; A127-G129 PolarHBondContact O-N 3.03Å
128K82.6Confident87.9Confident120 Ų12065 Ų6552%0.52235%0.349SS..THydrogen-bonded Turntrans-78.44.6171.2-68-169.5177.3-168.20113.8D94 D96 M124 L125 K126D94-K128 PolarHBondContact O-NZ 3.21Å; D96-K128 IonicContact OD2-NZ 3.69Å; M124-K128 PolarHBondContact O-N 2.86Å; L125-K128 CarbonylContact O-C 3.6Å; L125-K128 WeakPolarHBondContact O-CA 3.37Å; L125-K128 PolarHBondContact O-N 3.11Å; L125-K128 VanDerWaalsContact O-N 3.09Å; K126-K128 VanDerWaalsContact C-N 3.3Å; K126-K128 PolarHBondContact O-N 3.37Å
129G81.5Confident88.1Confident69 Ų6968.8 Ų68.871%0.71137%0.366SS*.THydrogen-bonded Turntrans92.6-0.8177.100000115.4L125 K126 A127L125-G129 PolarHBondContact O-N 2.8Å; K126-G129 PolarHBondContact O-N 3.46Å; A127-G129 PolarHBondContact O-N 3.03Å
130T84.1Confident88.2Confident77 Ų7770.8 Ų70.847%0.47237%0.373SS..  trans-106.4109.1-177.9-50.80000110.6L125 K126 V132L125-T130 CarbonylContact C-O 3.54Å; L125-T130 PolarHBondContact O-N 2.86Å; L125-T130 VanDerWaalsContact O-O 3.05Å; K126-T130 WeakPolarHBondContact CA-O 3.48Å; K126-T130 PolarHBondContact N-O 2.95Å; K126-T130 VanDerWaalsContact N-O 3.15Å; T130-V132 HydrophobicContact CG2-CG2 3.74Å; T130-V132 PolarHBondContact O-N 3.46Å
131K86Confident88.3Confident190 Ų19069.7 Ų69.783%0.82636%0.362SS*.  trans-85.4108.2176.5-170.7-179.8179.1-174.60110.1
132V86.7Confident88.5Confident31 Ų3171.5 Ų71.519%0.18837%0.373CS..  trans-117.7143176.2-169.60000109.5L125 T130 E136 I137L125-V132 HydrophobicContact CD1-CB 4.39Å; L125-V132 HydrophobicContact CD1-CG2 4.08Å; T130-V132 HydrophobicContact CG2-CG2 3.74Å; T130-V132 PolarHBondContact O-N 3.46Å; V132-E136 HydrophobicContact CG1-CB 4.32Å; V132-I137 HydrophobicContact CB-CD1 4.24Å; V132-I137 HydrophobicContact CB-CG1 4.28Å; V132-I137 HydrophobicContact CG1-CD1 4.26Å; V132-I137 HydrophobicContact CG1-CG1 3.74Å
133N91.2Very high88.6Confident79 Ų7978.2 Ų78.242%0.42240%0.402SS..  trans-71.2129175.1-172.2-16.3000109.7R135 E136 I137N133-R135 PolarHBondContact O-N 3.12Å; N133-R135 VanDerWaalsContact O-N 3.09Å; N133-R135 PolarHBondContact OD1-N 3.28Å; N133-E136 HydrophobicContact CB-CB 4.38Å; N133-E136 HydrophobicContact CB-CG 3.97Å; N133-E136 WeakPolarHBondContact O-CB 3.42Å; N133-E136 PolarHBondContact O-N 3.39Å; N133-I137 PolarHBondContact O-N 3.14Å
134P90.5Very high88.8Confident31 Ų3175 Ų7520%0.20139%0.39CS..Hα-helixtrans-57.8-27179.5-14.920.9000113.5A118 M119 A122 I137 A138 P159A118-P134 WeakPolarHBondContact CB-O 3.37Å; M119-P134 HydrophobicContact CG-CB 4.3Å; A122-P134 HydrophobicContact CB-CB 4.02Å; A122-P134 HydrophobicContact CB-CG 3.64Å; P134-I137 WeakPolarHBondContact O-CB 3.36Å; P134-I137 PolarHBondContact O-N 2.84Å; P134-A138 PolarHBondContact O-N 2.87Å; P134-P159 CarbonylContact C-O 3.5Å; P134-P159 WeakPolarHBondContact CB-O 3.19Å
135R92.9Very high88.9Confident116 Ų11673.5 Ų73.544%0.43838%0.383SS..Hα-helixtrans-66.2-40.4174.5-170.4173.3178.7146.71.1112.9N133 I137 A138 E139 I156 P159N133-R135 PolarHBondContact O-N 3.12Å; N133-R135 VanDerWaalsContact O-N 3.09Å; N133-R135 PolarHBondContact OD1-N 3.28Å; R135-I137 VanDerWaalsContact C-N 3.29Å; R135-I137 PolarHBondContact O-N 3.44Å; R135-A138 WeakPolarHBondContact O-CB 3.45Å; R135-A138 PolarHBondContact O-N 3.37Å; R135-E139 IonicContact NE-OE1 2.73Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.4Å; R135-I156 HydrophobicContact CG-CG2 4.19Å; R135-P159 PolarHBondContact N-O 3.12Å; R135-P159 VanDerWaalsContact N-O 3.1Å
136E90.8Very high89Confident95 Ų9574.2 Ų74.244%0.44439%0.389SS..Hα-helixtrans-66.5-35175.8-67.5166-158.300111.3V132 N133 E139 K140V132-E136 HydrophobicContact CG1-CB 4.32Å; N133-E136 HydrophobicContact CB-CB 4.38Å; N133-E136 HydrophobicContact CB-CG 3.97Å; N133-E136 WeakPolarHBondContact O-CB 3.42Å; N133-E136 PolarHBondContact O-N 3.39Å; E136-E139 PolarHBondContact O-N 2.92Å; E136-K140 WeakPolarHBondContact O-CG 3.2Å; E136-K140 PolarHBondContact O-N 2.89Å
137I89.9Confident88.9Confident0 Ų075.8 Ų75.80%040%0.404CS..Hα-helixtrans-63.4-47.1173.1-61.8177.2000109.9F92 A118 M121 A122 L125 V132 N133 P134 R135 E139 K140 I141F92-I137 HydrophobicContact CE2-CB 4.49Å; F92-I137 HydrophobicContact CE2-CG2 3.77Å; F92-I137 HydrophobicContact CZ-CB 4.23Å; F92-I137 HydrophobicContact CZ-CG1 4.03Å; F92-I137 HydrophobicContact CZ-CG2 3.94Å; A118-I137 HydrophobicContact CB-CB 4.26Å; A118-I137 HydrophobicContact CB-CG2 4.03Å; M121-I137 HydrophobicContact CB-CD1 4.25Å; M121-I137 HydrophobicContact CB-CG2 4.19Å; M121-I137 HydrophobicContact CE-CG2 4.31Å; M121-I137 HydrophobicContact SD-CG2 4.16Å; A122-I137 HydrophobicContact CB-CD1 3.7Å; L125-I137 HydrophobicContact CD1-CD1 3.84Å; V132-I137 HydrophobicContact CB-CD1 4.24Å; V132-I137 HydrophobicContact CB-CG1 4.28Å; V132-I137 HydrophobicContact CG1-CD1 4.26Å; V132-I137 HydrophobicContact CG1-CG1 3.74Å; N133-I137 PolarHBondContact O-N 3.14Å; P134-I137 WeakPolarHBondContact O-CB 3.36Å; P134-I137 PolarHBondContact O-N 2.84Å; R135-I137 VanDerWaalsContact C-N 3.29Å; R135-I137 PolarHBondContact O-N 3.44Å; I137-E139 VanDerWaalsContact C-N 3.34Å; I137-E139 PolarHBondContact O-N 3.19Å; I137-K140 PolarHBondContact O-N 2.88Å; I137-I141 HydrophobicContact CG2-CD1 3.83Å; I137-I141 HydrophobicContact CG2-CG1 4.48Å; I137-I141 VanDerWaalsContact O-CG1 3.27Å; I137-I141 WeakPolarHBondContact O-CG1 3.4Å; I137-I141 PolarHBondContact O-N 3.35Å
138A92.3Very high89Confident0 Ų073 Ų730%038%0.377CS..Hα-helixtrans-60.3-42.6177.700000112.1A118 P134 R135 I141 V142 I156 I162A118-A138 HydrophobicContact CB-CB 4Å; P134-A138 PolarHBondContact O-N 2.87Å; R135-A138 WeakPolarHBondContact O-CB 3.45Å; R135-A138 PolarHBondContact O-N 3.37Å; A138-I141 PolarHBondContact O-N 3.44Å; A138-V142 WeakPolarHBondContact O-CG2 3.42Å; A138-V142 PolarHBondContact O-N 3.28Å; A138-I156 HydrophobicContact CB-CD1 4.14Å; A138-I156 HydrophobicContact CB-CG1 4.41Å; A138-I156 HydrophobicContact CB-CG2 4.06Å; A138-I162 HydrophobicContact CB-CD1 4.03Å; A138-I162 HydrophobicContact CB-CG1 3.8Å
139E93.4Very high89.2Confident78 Ų7873.9 Ų73.936%0.36438%0.383SS..Hα-helixtrans-61.2-45.2176.5-74.8169.7-170.700111.8R135 E136 I137 I141 V142 Q143 I156R135-E139 IonicContact NE-OE1 2.73Å; R135-E139 WeakPolarHBondContact O-CG 3.37Å; R135-E139 PolarHBondContact O-N 3.4Å; E136-E139 PolarHBondContact O-N 2.92Å; I137-E139 VanDerWaalsContact C-N 3.34Å; I137-E139 PolarHBondContact O-N 3.19Å; E139-I141 PolarHBondContact O-N 2.82Å; E139-V142 PolarHBondContact O-N 3.35Å; E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.33Å; E139-Q143 PolarHBondContact O-N 3.3Å; E139-I156 HydrophobicContact CB-CD1 4.13Å; E139-I156 HydrophobicContact CG-CD1 3.45Å; E139-I156 VanDerWaalsContact CG-CD1 3.45Å
140K91.2Very high89.5Confident103 Ų10371.1 Ų71.145%0.44835%0.351SS..Hα-helixtrans-61.9-41.7175.6-76.5-178.1177.1-175.90112.7S91 F92 E136 I137 Q143 N144S91-K140 PolarHBondContact OG-O 3.42Å; F92-K140 HydrophobicContact CE1-CD 4.46Å; F92-K140 HydrophobicContact CE2-CB 4.31Å; F92-K140 HydrophobicContact CZ-CB 4.36Å; F92-K140 HydrophobicContact CZ-CD 3.87Å; E136-K140 WeakPolarHBondContact O-CG 3.2Å; E136-K140 PolarHBondContact O-N 2.89Å; I137-K140 PolarHBondContact O-N 2.88Å; K140-Q143 PolarHBondContact O-N 2.8Å; K140-N144 PolarHBondContact O-N 3.16Å; K140-N144 PolarHBondContact O-ND2 3.24Å
141I91.1Very high89.9Confident0 Ų068.2 Ų68.20%033%0.333CS..Hα-helixtrans-61.5-47.7177.1-68.3165.3000110F84 A87 I88 F92 M121 I137 A138 E139 Q143 N144 L145 I162F84-I141 HydrophobicContact CD1-CG2 3.78Å; F84-I141 HydrophobicContact CE1-CG2 4.03Å; A87-I141 HydrophobicContact CB-CG2 4.26Å; I88-I141 HydrophobicContact CD1-CD1 4.45Å; I88-I141 HydrophobicContact CG1-CD1 3.82Å; I88-I141 HydrophobicContact CG1-CG1 3.94Å; I88-I141 HydrophobicContact CG1-CG2 4.22Å; F92-I141 HydrophobicContact CE2-CG1 4.44Å; M121-I141 HydrophobicContact SD-CD1 4.04Å; I137-I141 HydrophobicContact CG2-CD1 3.83Å; I137-I141 HydrophobicContact CG2-CG1 4.48Å; I137-I141 VanDerWaalsContact O-CG1 3.27Å; I137-I141 WeakPolarHBondContact O-CG1 3.4Å; I137-I141 PolarHBondContact O-N 3.35Å; A138-I141 PolarHBondContact O-N 3.44Å; E139-I141 PolarHBondContact O-N 2.82Å; I141-Q143 VanDerWaalsContact C-N 3.33Å; I141-Q143 PolarHBondContact O-N 2.9Å; I141-N144 CarbonylContact O-C 3.14Å; I141-N144 PolarHBondContact O-N 2.64Å; I141-L145 PolarHBondContact O-N 3.01Å; I141-I162 HydrophobicContact CB-CD1 4.24Å; I141-I162 HydrophobicContact CG2-CD1 4.03Å
142V92.1Very high90.2Very high37 Ų3764.9 Ų64.922%0.22432%0.32CS..Hα-helixtrans-63.8-38.1-179.4170.90000111.9A138 E139 N144 L145 T154 I156 I162A138-V142 WeakPolarHBondContact O-CG2 3.42Å; A138-V142 PolarHBondContact O-N 3.28Å; E139-V142 PolarHBondContact O-N 3.35Å; V142-N144 VanDerWaalsContact C-N 3.29Å; V142-N144 PolarHBondContact O-N 2.85Å; V142-L145 HydrophobicContact CB-CD1 4.4Å; V142-L145 HydrophobicContact CG1-CD1 4.39Å; V142-L145 HydrophobicContact CG2-CD1 4.38Å; V142-L145 WeakPolarHBondContact O-CB 3.36Å; V142-L145 PolarHBondContact O-N 3.3Å; V142-T154 WeakPolarHBondContact CG1-OG1 3.42Å; V142-I156 HydrophobicContact CB-CD1 4.5Å; V142-I156 HydrophobicContact CG2-CD1 4.12Å; V142-I156 HydrophobicContact CG2-CG1 4.19Å; V142-I162 HydrophobicContact CG2-CD1 4.2Å; V142-I162 HydrophobicContact CG2-CG1 4.36Å; V142-I162 HydrophobicContact CG2-CG2 3.82Å
143Q91.3Very high90.5Very high152 Ų15266.6 Ų66.671%0.7133%0.331SS*.Hα-helixtrans-66.1-30.3177-74.81734.100113.4E139 K140 I141E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.33Å; E139-Q143 PolarHBondContact O-N 3.3Å; K140-Q143 PolarHBondContact O-N 2.8Å; I141-Q143 VanDerWaalsContact C-N 3.33Å; I141-Q143 PolarHBondContact O-N 2.9Å
144N91Very high90.6Very high77 Ų7764.6 Ų64.641%0.41232%0.322SS..THydrogen-bonded Turntrans-100.316.8179.5-68-41.9000112.8A87 S91 K140 I141 V142A87-N144 WeakPolarHBondContact CB-O 2.82Å; S91-N144 WeakPolarHBondContact OG-CB 3.24Å; S91-N144 PolarHBondContact OG-ND2 2.69Å; K140-N144 PolarHBondContact O-N 3.16Å; K140-N144 PolarHBondContact O-ND2 3.24Å; I141-N144 CarbonylContact O-C 3.14Å; I141-N144 PolarHBondContact O-N 2.64Å; V142-N144 VanDerWaalsContact C-N 3.29Å; V142-N144 PolarHBondContact O-N 2.85Å
145L90.1Very high90.7Very high33 Ų3368.1 Ų68.117%0.17334%0.335CS..PPolyproline II helixtrans-66.7127.2172.4-82.9167.8000109.6V83 F84 A87 I141 V142 T154V83-L145 HydrophobicContact CG1-CD2 3.87Å; F84-L145 HydrophobicContact CD1-CD2 4.19Å; F84-L145 HydrophobicContact CE1-CD1 4.42Å; F84-L145 HydrophobicContact CE1-CD2 4.05Å; F84-L145 HydrophobicContact CE2-CD2 4.46Å; F84-L145 HydrophobicContact CG-CD2 4.47Å; F84-L145 HydrophobicContact CZ-CD1 4.38Å; F84-L145 HydrophobicContact CZ-CD2 4.19Å; A87-L145 HydrophobicContact CB-CD2 3.86Å; A87-L145 HydrophobicContact CB-CG 4.28Å; I141-L145 PolarHBondContact O-N 3.01Å; V142-L145 HydrophobicContact CB-CD1 4.4Å; V142-L145 HydrophobicContact CG1-CD1 4.39Å; V142-L145 HydrophobicContact CG2-CD1 4.38Å; V142-L145 WeakPolarHBondContact O-CB 3.36Å; V142-L145 PolarHBondContact O-N 3.3Å; L145-T154 HydrophobicContact CD1-CG2 3.91Å
146P88.3Confident90.7Very high39 Ų3964.7 Ų64.725%0.25333%0.325SS..PPolyproline II helixtrans-69.3152.1174.829.3-34000110.8V83 N148V83-P146 HydrophobicContact CG1-CG 4.12Å; P146-N148 PolarHBondContact O-N 3.35Å; P146-N148 PolarHBondContact O-ND2 2.74Å
147D84.8Confident90.7Very high174 Ų17461.5 Ų61.593%0.9332%0.316SS*.PPolyproline II helixtrans-57.2129.3171.9-78.5-27.2000110.3
148N86.8Confident90.5Very high33 Ų3364 Ų6418%0.17634%0.342CS..  trans-146.3159.1-174.766.380.1000112.9P146 L150 I151 K167P146-N148 PolarHBondContact O-N 3.35Å; P146-N148 PolarHBondContact O-ND2 2.74Å; N148-L150 HydrophobicContact CB-CD1 4.42Å; N148-L150 PolarHBondContact OD1-N 2.75Å; N148-I151 VanDerWaalsContact OD1-CB 3.32Å; N148-I151 WeakPolarHBondContact OD1-CB 3.39Å; N148-I151 WeakPolarHBondContact OD1-CG1 2.98Å; N148-I151 PolarHBondContact OD1-N 2.9Å; N148-K167 PolarHBondContact O-NZ 3.49Å
149E86.6Confident90.2Very high138 Ų13867.2 Ų67.265%0.64536%0.362SS*.SBendtrans-83.9-11.2179.9-60.3-169.2168.700113.3K167 F170E149-K167 WeakPolarHBondContact O-CD 3.35Å; E149-F170 HydrophobicContact CB-CD2 4.38Å; E149-F170 WeakPolarHBondContact O-CB 3.35Å
150L88.8Confident90Very high10 Ų1063.5 Ų63.55%0.05235%0.345CS..SBendtrans-89.4-42.5-170.3-61.7110.7000113.4R79 V83 N148 L166 K167 F170R79-L150 HydrophobicContact CB-CD2 4.1Å; R79-L150 HydrophobicContact CG-CD1 3.71Å; R79-L150 HydrophobicContact CG-CD2 3.86Å; R79-L150 HydrophobicContact CG-CG 4.46Å; V83-L150 HydrophobicContact CG2-CD1 4.48Å; N148-L150 HydrophobicContact CB-CD1 4.42Å; N148-L150 PolarHBondContact OD1-N 2.75Å; L150-L166 CarbonylContact O-C 3.49Å; L150-L166 WeakPolarHBondContact O-CA 3.14Å; L150-K167 PolarHBondContact O-N 3.45Å; L150-F170 HydrophobicContact CD2-CD1 4.45Å; L150-F170 HydrophobicContact CD2-CE1 3.56Å; L150-F170 HydrophobicContact CD2-CE2 4.2Å; L150-F170 HydrophobicContact CD2-CZ 3.4Å; L150-F170 VanDerWaalsContact CD2-CZ 3.4Å; L150-F170 HydrophobicContact CG-CE1 4.01Å; L150-F170 HydrophobicContact CG-CE2 4.05Å; L150-F170 HydrophobicContact CG-CZ 3.74Å
151I92.1Very high90Very high17 Ų1761.2 Ų61.29%0.08734%0.335CS..EExtended strand (participates in β ladder)trans-99.6120.9-164-58.8174.5000111.1L80 V83 F84 N148 T154 I164 K167L80-I151 HydrophobicContact CD2-CD1 4.02Å; L80-I151 HydrophobicContact CD2-CG1 3.91Å; V83-I151 HydrophobicContact CG1-CD1 4.34Å; F84-I151 HydrophobicContact CE2-CD1 4.21Å; N148-I151 VanDerWaalsContact OD1-CB 3.32Å; N148-I151 WeakPolarHBondContact OD1-CB 3.39Å; N148-I151 WeakPolarHBondContact OD1-CG1 2.98Å; N148-I151 PolarHBondContact OD1-N 2.9Å; I151-T154 HydrophobicContact CG2-CG2 3.64Å; I151-I164 HydrophobicContact CD1-CG2 4.33Å; I151-I164 HydrophobicContact CG1-CG2 3.99Å; I151-I164 HydrophobicContact CG2-CG2 4.17Å; I151-K167 WeakPolarHBondContact O-CE 3.18Å
152Q92.1Very high90.1Very high119 Ų11961.2 Ų61.256%0.55634%0.335SS*.EExtended strand (participates in β ladder)trans-79.6-53.2173.7-177.864.732.300111.1H165 K167Q152-H165 WeakPolarHBondContact CB-O 3.46Å; Q152-H165 PolarHBondContact N-O 3.06Å; Q152-K167 HydrophobicContact CB-CG 3.93Å
153T92.6Very high90.2Very high67 Ų6759.7 Ų59.741%0.41133%0.325SS..EExtended strand (participates in β ladder)trans-148154.1179.452.20000110.3H165T153-H165 PolarHBondContact N-O 3.26Å; T153-H165 PolarHBondContact O-N 2.59Å; T153-H165 WeakPolarHBondContact OG1-CB 3.29Å
154T93.4Very high90.4Very high38 Ų3852.4 Ų52.423%0.23329%0.292CS..EExtended strand (participates in β ladder)trans-124.713717154.90000109.9V142 L145 I151 N163V142-T154 WeakPolarHBondContact CG1-OG1 3.42Å; L145-T154 HydrophobicContact CD1-CG2 3.91Å; I151-T154 HydrophobicContact CG2-CG2 3.64Å; T154-N163 CarbonylContact C-O 3.47Å; T154-N163 VanDerWaalsContact CA-O 3.25Å; T154-N163 WeakPolarHBondContact CA-O 3.5Å
155E93.3Very high90.5Very high104 Ų10451 Ų5149%0.48628%0.282SS..EExtended strand (participates in β ladder)trans-125.5134.9179.4-62.9-177.517900110.4N163E155-N163 HydrophobicContact CB-CB 4.28Å; E155-N163 PolarHBondContact N-O 3.07Å; E155-N163 WeakPolarHBondContact O-CB 3.26Å; E155-N163 PolarHBondContact O-N 3.2Å
156I92.9Very high90.7Very high44 Ų4449.8 Ų49.823%0.22628%0.276CS..EExtended strand (participates in β ladder)trans-94.8119.9177.6-58.1173.2000109R135 A138 E139 V142 F161R135-I156 HydrophobicContact CG-CG2 4.19Å; A138-I156 HydrophobicContact CB-CD1 4.14Å; A138-I156 HydrophobicContact CB-CG1 4.41Å; A138-I156 HydrophobicContact CB-CG2 4.06Å; E139-I156 HydrophobicContact CB-CD1 4.13Å; E139-I156 HydrophobicContact CG-CD1 3.45Å; E139-I156 VanDerWaalsContact CG-CD1 3.45Å; V142-I156 HydrophobicContact CB-CD1 4.5Å; V142-I156 HydrophobicContact CG2-CD1 4.12Å; V142-I156 HydrophobicContact CG2-CG1 4.19Å; I156-F161 CarbonylContact C-O 3.53Å; I156-F161 VanDerWaalsContact CA-O 3.32Å; I156-F161 WeakPolarHBondContact CA-O 3.37Å
157A89.8Confident90.9Very high29 Ų2950.8 Ų50.824%0.2428%0.276CS..EExtended strand (participates in β ladder)trans-118.9149.9-178.400000112.3G160 F161A157-G160 PolarHBondContact O-N 3.28Å; A157-F161 HydrophobicContact CB-CB 4.45Å; A157-F161 PolarHBondContact N-O 2.92Å; A157-F161 WeakPolarHBondContact O-CB 3.22Å; A157-F161 PolarHBondContact O-N 2.57Å
158G87.3Confident91.3Very high53 Ų5346.9 Ų46.955%0.54625%0.251SS..THydrogen-bonded Turntrans56.4-135.5173.700000113.8G160G158-G160 VanDerWaalsContact C-N 3.29Å; G158-G160 PolarHBondContact O-N 3.4Å
159P86.2Confident91.5Very high66 Ų6649 Ų4943%0.42927%0.265SS..THydrogen-bonded Turntrans-74.9-11.8-176.130.2-35.6000114.5M119 P134 R135 F161M119-P159 HydrophobicContact SD-CG 4.11Å; P134-P159 CarbonylContact C-O 3.5Å; P134-P159 WeakPolarHBondContact CB-O 3.19Å; R135-P159 PolarHBondContact N-O 3.12Å; R135-P159 VanDerWaalsContact N-O 3.1Å; P159-F161 HydrophobicContact CG-CD2 4.21Å; P159-F161 HydrophobicContact CG-CE2 3.82Å; P159-F161 HydrophobicContact CG-CZ 4.34Å
160G87.4Confident91.7Very high0 Ų043.3 Ų43.30%024%0.238CC..THydrogen-bonded Turntrans151.726.3-174.800000113.8A118 A157 G158A118-G160 WeakPolarHBondContact CB-O 3.46Å; A157-G160 PolarHBondContact O-N 3.28Å; G158-G160 VanDerWaalsContact C-N 3.29Å; G158-G160 PolarHBondContact O-N 3.4Å
161F91.4Very high91.9Very high56 Ų5642.9 Ų42.925%0.24624%0.236CC..EExtended strand (participates in β ladder)trans-78.6133.7174.3-63.5-62.2000109.8Q114 N116 M119 I156 A157 P159Q114-F161 HydrophobicContact CG-CB 4.36Å; Q114-F161 VanDerWaalsContact NE2-CB 3.28Å; N116-F161 WeakPolarHBondContact OD1-CD1 3.35Å; M119-F161 HydrophobicContact CE-CD1 3.95Å; M119-F161 HydrophobicContact CE-CE1 3.26Å; M119-F161 HydrophobicContact CE-CZ 3.83Å; M119-F161 HydrophobicContact SD-CE1 4.22Å; M119-F161 HydrophobicContact SD-CZ 4.28Å; I156-F161 CarbonylContact C-O 3.53Å; I156-F161 VanDerWaalsContact CA-O 3.32Å; I156-F161 WeakPolarHBondContact CA-O 3.37Å; A157-F161 HydrophobicContact CB-CB 4.45Å; A157-F161 PolarHBondContact N-O 2.92Å; A157-F161 WeakPolarHBondContact O-CB 3.22Å; A157-F161 PolarHBondContact O-N 2.57Å; P159-F161 HydrophobicContact CG-CD2 4.21Å; P159-F161 HydrophobicContact CG-CE2 3.82Å; P159-F161 HydrophobicContact CG-CZ 4.34Å
162I93.6Very high91.9Very high0 Ų042.3 Ų42.30%023%0.234CC..EExtended strand (participates in β ladder)trans-106.5103.9175.8-53.1168.3000107.9F84 Q114 C115 A138 I141 V142F84-I162 HydrophobicContact CE1-CD1 4.01Å; F84-I162 HydrophobicContact CE1-CG2 4.05Å; F84-I162 HydrophobicContact CZ-CG2 4.03Å; Q114-I162 CarbonylContact C-O 3.01Å; Q114-I162 WeakPolarHBondContact CA-O 3.34Å; C115-I162 HydrophobicContact CB-CB 4.14Å; C115-I162 PolarHBondContact N-O 3.37Å; C115-I162 PolarHBondContact O-N 2.82Å; A138-I162 HydrophobicContact CB-CD1 4.03Å; A138-I162 HydrophobicContact CB-CG1 3.8Å; I141-I162 HydrophobicContact CB-CD1 4.24Å; I141-I162 HydrophobicContact CG2-CD1 4.03Å; V142-I162 HydrophobicContact CG2-CD1 4.2Å; V142-I162 HydrophobicContact CG2-CG1 4.36Å; V142-I162 HydrophobicContact CG2-CG2 3.82Å
163N94.5Very high91.9Very high4 Ų443 Ų432%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-80.4136.4174.7-69-13.8000109.7F110 T154 E155F110-N163 WeakPolarHBondContact O-CB 3.41Å; F110-N163 PolarHBondContact O-OD1 3.47Å; T154-N163 CarbonylContact C-O 3.47Å; T154-N163 VanDerWaalsContact CA-O 3.25Å; T154-N163 WeakPolarHBondContact CA-O 3.5Å; E155-N163 HydrophobicContact CB-CB 4.28Å; E155-N163 PolarHBondContact N-O 3.07Å; E155-N163 WeakPolarHBondContact O-CB 3.26Å; E155-N163 PolarHBondContact O-N 3.2Å
164I94.4Very high91.8Very high0 Ų040.4 Ų40.40%022%0.218CC..EExtended strand (participates in β ladder)trans-123.1126.9-171.6-56.3155.6000108.8L80 F84 V102 D112 Y113 C115 I151L80-I164 HydrophobicContact CD2-CG2 4.23Å; F84-I164 HydrophobicContact CD2-CD1 4.31Å; F84-I164 HydrophobicContact CE2-CD1 3.35Å; F84-I164 HydrophobicContact CE2-CG1 3.94Å; F84-I164 HydrophobicContact CZ-CD1 3.68Å; F84-I164 HydrophobicContact CZ-CG1 3.87Å; V102-I164 HydrophobicContact CG1-CD1 4.5Å; D112-I164 PolarHBondContact N-O 2.92Å; Y113-I164 PolarHBondContact N-O 3.46Å; Y113-I164 PolarHBondContact O-N 3.43Å; C115-I164 HydrophobicContact CB-CD1 4.33Å; I151-I164 HydrophobicContact CD1-CG2 4.33Å; I151-I164 HydrophobicContact CG1-CG2 3.99Å; I151-I164 HydrophobicContact CG2-CG2 4.17Å
165H93.4Very high91.8Very high47 Ų4738.6 Ų38.622%0.21821%0.207CC..EExtended strand (participates in β ladder)trans-107.5129.1172-64-96.7000109.8G111 D112 Q152 T153G111-H165 WeakPolarHBondContact CA-CE1 3.44Å; D112-H165 WeakPolarHBondContact OD2-CA 3.48Å; Q152-H165 WeakPolarHBondContact CB-O 3.46Å; Q152-H165 PolarHBondContact N-O 3.06Å; T153-H165 PolarHBondContact N-O 3.26Å; T153-H165 PolarHBondContact O-N 2.59Å; T153-H165 WeakPolarHBondContact OG1-CB 3.29Å
166L94.1Very high91.7Very high7 Ų735 Ų354%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-81.6150-178.9-65177.9000112.2I76 D112 Y113 L150 K168 V171 W575I76-L166 HydrophobicContact CD1-CD1 4.48Å; I76-L166 HydrophobicContact CG2-CD1 4.24Å; I76-L166 HydrophobicContact CG2-CD2 4.22Å; D112-L166 HydrophobicContact CB-CD1 4.35Å; D112-L166 HydrophobicContact CB-CG 4.17Å; D112-L166 PolarHBondContact OD2-N 3.41Å; Y113-L166 HydrophobicContact CD2-CD1 4.31Å; Y113-L166 HydrophobicContact CD2-CG 4.47Å; Y113-L166 HydrophobicContact CE2-CD1 3.9Å; L150-L166 CarbonylContact O-C 3.49Å; L150-L166 WeakPolarHBondContact O-CA 3.14Å; L166-K168 PolarHBondContact O-N 3.38Å; L166-V171 HydrophobicContact CB-CG2 4.34Å; L166-V171 HydrophobicContact CD1-CG2 4.29Å; L166-W575 HydrophobicContact CB-CH2 3.9Å; L166-W575 HydrophobicContact CB-CZ2 4.04Å
167K93.6Very high91.5Very high60 Ų6033.9 Ų33.926%0.26119%0.188SC..  trans-68.8126170.7-62.4-167-174.3166.20109.9N148 E149 L150 I151 Q152 T169 F170 V171N148-K167 PolarHBondContact O-NZ 3.49Å; E149-K167 WeakPolarHBondContact O-CD 3.35Å; L150-K167 PolarHBondContact O-N 3.45Å; I151-K167 WeakPolarHBondContact O-CE 3.18Å; Q152-K167 HydrophobicContact CB-CG 3.93Å; K167-T169 VanDerWaalsContact C-N 3.29Å; K167-T169 PolarHBondContact O-N 3.15Å; K167-F170 HydrophobicContact CB-CB 4.01Å; K167-F170 WeakPolarHBondContact O-CB 3.45Å; K167-F170 PolarHBondContact O-N 3.24Å; K167-F170 VanDerWaalsContact O-N 3.15Å; K167-V171 PolarHBondContact O-N 3.06Å
168K93Very high91.6Very high92 Ų9232.8 Ų32.840%0.418%0.179SC..Hα-helixtrans-59.7-39.9177.6-66.5-172.6175.8-162.80112.7L166 F170 V171 S172 L569 W575L166-K168 PolarHBondContact O-N 3.38Å; K168-F170 VanDerWaalsContact C-N 3.28Å; K168-F170 PolarHBondContact O-N 3.25Å; K168-V171 PolarHBondContact O-N 3.43Å; K168-S172 WeakPolarHBondContact O-CB 3.4Å; K168-S172 PolarHBondContact O-N 3.45Å; K168-L569 WeakPolarHBondContact CD-O 3.42Å; K168-L569 WeakPolarHBondContact CE-O 3.49Å; K168-L569 PolarHBondContact NZ-O 2.88Å; K168-W575 HydrophobicContact CB-CZ3 4.22Å; K168-W575 HydrophobicContact CG-CE3 4.15Å; K168-W575 HydrophobicContact CG-CH2 4.23Å; K168-W575 HydrophobicContact CG-CZ3 3.84Å
169T91.5Very high91.8Very high77 Ų7731.7 Ų31.747%0.47216%0.16SC..Hα-helixtrans-62.5-34.4177.851.50000112.3K167 K173K167-T169 VanDerWaalsContact C-N 3.29Å; K167-T169 PolarHBondContact O-N 3.15Å; T169-K173 VanDerWaalsContact O-CG 3.26Å; T169-K173 WeakPolarHBondContact O-CG 3.4Å; T169-K173 PolarHBondContact O-N 2.54Å
170F91.2Very high91.9Very high20 Ų2031 Ų319%0.08815%0.153CC..Hα-helixtrans-67.4-49.4175.7175.8-100.7000111.6L74 E149 L150 K167 K168 S172 K173 L174L74-F170 HydrophobicContact CD1-CZ 4.37Å; E149-F170 HydrophobicContact CB-CD2 4.38Å; E149-F170 WeakPolarHBondContact O-CB 3.35Å; L150-F170 HydrophobicContact CD2-CD1 4.45Å; L150-F170 HydrophobicContact CD2-CE1 3.56Å; L150-F170 HydrophobicContact CD2-CE2 4.2Å; L150-F170 HydrophobicContact CD2-CZ 3.4Å; L150-F170 VanDerWaalsContact CD2-CZ 3.4Å; L150-F170 HydrophobicContact CG-CE1 4.01Å; L150-F170 HydrophobicContact CG-CE2 4.05Å; L150-F170 HydrophobicContact CG-CZ 3.74Å; K167-F170 HydrophobicContact CB-CB 4.01Å; K167-F170 WeakPolarHBondContact O-CB 3.45Å; K167-F170 PolarHBondContact O-N 3.24Å; K167-F170 VanDerWaalsContact O-N 3.15Å; K168-F170 VanDerWaalsContact C-N 3.28Å; K168-F170 PolarHBondContact O-N 3.25Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 2.95Å; F170-K173 PolarHBondContact O-N 3.33Å; F170-L174 HydrophobicContact CD1-CD1 4.05Å; F170-L174 HydrophobicContact CE1-CD1 3.36Å; F170-L174 HydrophobicContact CE1-CG 4.21Å; F170-L174 HydrophobicContact CE2-CD1 4.25Å; F170-L174 HydrophobicContact CE2-CG 4.39Å; F170-L174 HydrophobicContact CZ-CD1 3.49Å; F170-L174 VanDerWaalsContact CZ-CD1 3.49Å; F170-L174 HydrophobicContact CZ-CD2 4.38Å; F170-L174 HydrophobicContact CZ-CG 4.1Å; F170-L174 WeakPolarHBondContact O-CG 3.29Å; F170-L174 PolarHBondContact O-N 3.09Å
171V92.3Very high92Very high1 Ų133.7 Ų33.71%0.00617%0.167CC..Hα-helixtrans-59.4-44.2176.8177.30000110.9L166 K167 K168 K173 L174 L175 L569 W575 L582L166-V171 HydrophobicContact CB-CG2 4.34Å; L166-V171 HydrophobicContact CD1-CG2 4.29Å; K167-V171 PolarHBondContact O-N 3.06Å; K168-V171 PolarHBondContact O-N 3.43Å; V171-K173 PolarHBondContact O-N 3.38Å; V171-L174 PolarHBondContact O-N 2.92Å; V171-L175 HydrophobicContact CG1-CD1 4.16Å; V171-L175 WeakPolarHBondContact O-CG 3.23Å; V171-L175 PolarHBondContact O-N 3.09Å; V171-L569 HydrophobicContact CB-CD1 3.9Å; V171-L569 HydrophobicContact CG1-CD1 3.55Å; V171-W575 HydrophobicContact CB-CH2 4.25Å; V171-W575 HydrophobicContact CB-CZ3 3.8Å; V171-W575 HydrophobicContact CG1-CZ3 4.02Å; V171-W575 HydrophobicContact CG2-CH2 3.53Å; V171-W575 HydrophobicContact CG2-CZ3 3.6Å; V171-L582 HydrophobicContact CB-CD1 4.12Å; V171-L582 HydrophobicContact CG1-CD1 3.57Å; V171-L582 HydrophobicContact CG2-CD1 4.37Å
172S92.9Very high91.9Very high5 Ų532.6 Ų32.64%0.03517%0.171CC..Hα-helixtrans-57.3-49.3176.2-177.90000112.1K168 F170 L174 L175 T176 I567K168-S172 WeakPolarHBondContact O-CB 3.4Å; K168-S172 PolarHBondContact O-N 3.45Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 2.95Å; S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 2.94Å; S172-L175 PolarHBondContact O-N 2.86Å; S172-T176 PolarHBondContact O-N 2.92Å; S172-T176 PolarHBondContact O-OG1 3.28Å; S172-I567 VanDerWaalsContact CB-O 3.29Å; S172-I567 WeakPolarHBondContact CB-O 3.41Å; S172-I567 PolarHBondContact OG-N 2.82Å; S172-I567 PolarHBondContact OG-O 3.44Å
173K90.7Very high91.7Very high134 Ų13433.6 Ų33.658%0.58318%0.177SC*.Hα-helixtrans-59-40177.2-75.3175.1-178.9-175.30113T169 F170 V171 T176 S177T169-K173 VanDerWaalsContact O-CG 3.26Å; T169-K173 WeakPolarHBondContact O-CG 3.4Å; T169-K173 PolarHBondContact O-N 2.54Å; F170-K173 PolarHBondContact O-N 3.33Å; V171-K173 PolarHBondContact O-N 3.38Å; K173-T176 PolarHBondContact O-N 2.98Å; K173-S177 WeakPolarHBondContact O-CB 3.37Å; K173-S177 PolarHBondContact O-N 2.85Å
174L90.8Very high91.4Very high12 Ų1237.7 Ų37.76%0.06320%0.196CC..Hα-helixtrans-67.6-41.2178-68.8-177.1000112.5L74 I76 F170 V171 S172 T176 S177 M178 L582L74-L174 HydrophobicContact CD1-CD2 3.69Å; L74-L174 HydrophobicContact CG-CD2 4.21Å; I76-L174 HydrophobicContact CD1-CD1 4.39Å; I76-L174 HydrophobicContact CG1-CD1 4.45Å; F170-L174 HydrophobicContact CD1-CD1 4.05Å; F170-L174 HydrophobicContact CE1-CD1 3.36Å; F170-L174 HydrophobicContact CE1-CG 4.21Å; F170-L174 HydrophobicContact CE2-CD1 4.25Å; F170-L174 HydrophobicContact CE2-CG 4.39Å; F170-L174 HydrophobicContact CZ-CD1 3.49Å; F170-L174 VanDerWaalsContact CZ-CD1 3.49Å; F170-L174 HydrophobicContact CZ-CD2 4.38Å; F170-L174 HydrophobicContact CZ-CG 4.1Å; F170-L174 WeakPolarHBondContact O-CG 3.29Å; F170-L174 PolarHBondContact O-N 3.09Å; V171-L174 PolarHBondContact O-N 2.92Å; S172-L174 VanDerWaalsContact C-N 3.32Å; S172-L174 PolarHBondContact O-N 2.94Å; L174-T176 VanDerWaalsContact C-N 3.34Å; L174-S177 PolarHBondContact O-N 2.98Å; L174-M178 WeakPolarHBondContact O-CB 3.47Å; L174-M178 PolarHBondContact O-N 3.1Å; L174-L582 HydrophobicContact CB-CD1 3.81Å; L174-L582 HydrophobicContact CB-CD2 3.8Å; L174-L582 HydrophobicContact CB-CG 4.49Å; L174-L582 HydrophobicContact CD1-CD1 3.93Å
175L92.4Very high90.8Very high0 Ų038.7 Ų38.70%020%0.202CC..Hα-helixtrans-61.4-44.1174.9-68.4169.9000111V171 S172 M178 L179 I567 L569 I581 L582 L640V171-L175 HydrophobicContact CG1-CD1 4.16Å; V171-L175 WeakPolarHBondContact O-CG 3.23Å; V171-L175 PolarHBondContact O-N 3.09Å; S172-L175 PolarHBondContact O-N 2.86Å; L175-M178 PolarHBondContact O-N 3.12Å; L175-L179 WeakPolarHBondContact O-CG 3.43Å; L175-L179 PolarHBondContact O-N 2.84Å; L175-I567 HydrophobicContact CB-CD1 3.67Å; L175-I567 HydrophobicContact CD1-CG2 4.31Å; L175-L569 HydrophobicContact CD1-CD1 4.37Å; L175-L569 HydrophobicContact CD1-CD2 4.42Å; L175-I581 HydrophobicContact CD2-CB 3.94Å; L175-I581 HydrophobicContact CD2-CD1 4.18Å; L175-I581 HydrophobicContact CD2-CG2 3.51Å; L175-L582 HydrophobicContact CD2-CD2 3.97Å; L175-L582 HydrophobicContact CD2-CG 4.04Å; L175-L582 HydrophobicContact CG-CD1 4.44Å; L175-L582 HydrophobicContact CG-CD2 4.36Å; L175-L582 HydrophobicContact CG-CG 4.37Å; L175-L640 HydrophobicContact CD1-CD2 3.9Å
176T91.8Very high90.1Very high28 Ų2838.6 Ų38.617%0.17221%0.206CC..Hα-helixtrans-63-45.6175.4-59.70000111.9S172 K173 L174 M178 L179 L180 A562S172-T176 PolarHBondContact O-N 2.92Å; S172-T176 PolarHBondContact O-OG1 3.28Å; K173-T176 PolarHBondContact O-N 2.98Å; L174-T176 VanDerWaalsContact C-N 3.34Å; T176-M178 VanDerWaalsContact C-N 3.3Å; T176-M178 PolarHBondContact O-N 2.73Å; T176-L179 PolarHBondContact O-N 3.12Å; T176-L179 VanDerWaalsContact O-N 3.15Å; T176-L180 HydrophobicContact CG2-CD1 3.93Å; T176-L180 HydrophobicContact CG2-CG 4.35Å; T176-L180 WeakPolarHBondContact O-CG 3.46Å; T176-L180 PolarHBondContact O-N 3.22Å; T176-A562 WeakPolarHBondContact CG2-O 3.45Å
177S89.9Confident89Confident20 Ų2043.3 Ų43.314%0.1424%0.237CC..Hα-helixtrans-58.5-43177.1-177.30000111.9K173 L174 L179 L180 N181K173-S177 WeakPolarHBondContact O-CB 3.37Å; K173-S177 PolarHBondContact O-N 2.85Å; L174-S177 PolarHBondContact O-N 2.98Å; S177-L179 VanDerWaalsContact C-N 3.34Å; S177-L179 PolarHBondContact O-N 3.04Å; S177-L180 PolarHBondContact O-N 3.12Å; S177-N181 WeakPolarHBondContact O-CB 3.41Å; S177-N181 PolarHBondContact O-N 2.89Å; S177-N181 PolarHBondContact O-ND2 2.94Å; S177-N181 VanDerWaalsContact O-ND2 3.09Å; S177-N181 PolarHBondContact OG-ND2 3.21Å; S177-N181 VanDerWaalsContact OG-ND2 3.13Å
178M91.4Very high87.9Confident7 Ų743.3 Ų43.33%0.03424%0.24CC..Hα-helixtrans-62.3-39.9176.7-174.7-167.67800112.2M73 L174 L175 T176 G182 V183 I581 A643 I647M73-M178 HydrophobicContact CE-CG 4.42Å; M73-M178 HydrophobicContact CE-SD 3.74Å; M73-M178 HydrophobicContact CG-CG 4.21Å; M73-M178 HydrophobicContact SD-CG 4.12Å; M73-M178 HydrophobicContact SD-SD 4.03Å; L174-M178 WeakPolarHBondContact O-CB 3.47Å; L174-M178 PolarHBondContact O-N 3.1Å; L175-M178 PolarHBondContact O-N 3.12Å; T176-M178 VanDerWaalsContact C-N 3.3Å; T176-M178 PolarHBondContact O-N 2.73Å; M178-G182 CarbonylContact O-C 3.49Å; M178-G182 WeakPolarHBondContact O-CA 3.43Å; M178-G182 PolarHBondContact O-N 2.96Å; M178-V183 HydrophobicContact CG-CG2 4.03Å; M178-V183 HydrophobicContact SD-CG2 4.13Å; M178-I581 HydrophobicContact CE-CG2 3.84Å; M178-I581 HydrophobicContact SD-CG2 4.03Å; M178-A643 HydrophobicContact CE-CB 3.45Å; M178-A643 VanDerWaalsContact CE-CB 3.45Å; M178-I647 HydrophobicContact CE-CG1 4.21Å; M178-I647 HydrophobicContact SD-CD1 3.65Å; M178-I647 HydrophobicContact SD-CG1 3.86Å
179L90.8Very high86.7Confident29 Ų2941.1 Ų41.115%0.15224%0.239CC..Hα-helixtrans-68.6-37.1177.8-72.9169.4000112.5L175 T176 S177 A562 I567 L639 E642 A643L175-L179 WeakPolarHBondContact O-CG 3.43Å; L175-L179 PolarHBondContact O-N 2.84Å; T176-L179 PolarHBondContact O-N 3.12Å; T176-L179 VanDerWaalsContact O-N 3.15Å; S177-L179 VanDerWaalsContact C-N 3.34Å; S177-L179 PolarHBondContact O-N 3.04Å; L179-A562 HydrophobicContact CB-CB 4.09Å; L179-A562 HydrophobicContact CD1-CB 4.49Å; L179-I567 HydrophobicContact CD1-CD1 4.03Å; L179-L639 HydrophobicContact CD1-CB 3.81Å; L179-L639 HydrophobicContact CD1-CD2 4.23Å; L179-L639 HydrophobicContact CD1-CG 4.44Å; L179-E642 HydrophobicContact CD2-CB 4.07Å; L179-E642 HydrophobicContact CD2-CG 3.85Å; L179-A643 HydrophobicContact CD1-CB 4.46Å; L179-A643 HydrophobicContact CD2-CB 4.01Å; L179-A643 HydrophobicContact CG-CB 4.32Å
180L89.6Confident85.9Confident53 Ų5338.7 Ų38.728%0.27722%0.224SC..Hα-helixtrans-77.4-42.1-178.1-66.8176.8000113T176 S177 A562 E563T176-L180 HydrophobicContact CG2-CD1 3.93Å; T176-L180 HydrophobicContact CG2-CG 4.35Å; T176-L180 WeakPolarHBondContact O-CG 3.46Å; T176-L180 PolarHBondContact O-N 3.22Å; S177-L180 PolarHBondContact O-N 3.12Å; L180-A562 HydrophobicContact CD2-CB 3.93Å; L180-E563 HydrophobicContact CD2-CB 4.39Å; L180-E563 HydrophobicContact CD2-CG 3.44Å; L180-E563 VanDerWaalsContact CD2-CG 3.44Å
181N88.6Confident85.5Confident56 Ų5645.7 Ų45.730%0.29925%0.25SC..Hα-helixtrans-94.7-12.4-175.7-61.1-56.8000113.3K71 S177 Q184K71-N181 HydrophobicContact CB-CB 4.19Å; K71-N181 WeakPolarHBondContact O-CB 3.37Å; S177-N181 WeakPolarHBondContact O-CB 3.41Å; S177-N181 PolarHBondContact O-N 2.89Å; S177-N181 PolarHBondContact O-ND2 2.94Å; S177-N181 VanDerWaalsContact O-ND2 3.09Å; S177-N181 PolarHBondContact OG-ND2 3.21Å; S177-N181 VanDerWaalsContact OG-ND2 3.13Å; N181-Q184 PolarHBondContact O-NE2 3.34Å
182G89Confident85.3Confident32 Ų3249.4 Ų49.433%0.3327%0.266SS..  trans85.3170.4-171.700000112.9M178 Q184M178-G182 CarbonylContact O-C 3.49Å; M178-G182 WeakPolarHBondContact O-CA 3.43Å; M178-G182 PolarHBondContact O-N 2.96Å; G182-Q184 PolarHBondContact O-N 3.35Å
183V90.7Very high85.3Confident22 Ų2253 Ų5313%0.13328%0.279CS..SBendtrans-74.894175.8-1790000108.8M73 M178 F227 F584 I647 K650M73-V183 HydrophobicContact SD-CG1 3.89Å; M178-V183 HydrophobicContact CG-CG2 4.03Å; M178-V183 HydrophobicContact SD-CG2 4.13Å; V183-F227 HydrophobicContact CG1-CZ 4.15Å; V183-F227 WeakPolarHBondContact O-CE2 3.07Å; V183-F584 HydrophobicContact CG1-CD1 4.19Å; V183-F584 HydrophobicContact CG1-CE1 3.77Å; V183-I647 HydrophobicContact CB-CD1 4.43Å; V183-I647 HydrophobicContact CG1-CD1 3.68Å; V183-I647 HydrophobicContact CG2-CD1 3.82Å; V183-I647 HydrophobicContact CG2-CG1 4.41Å; V183-K650 HydrophobicContact CB-CB 4.47Å; V183-K650 HydrophobicContact CG1-CB 3.98Å; V183-K650 HydrophobicContact CG1-CG 3.91Å
184Q87.1Confident85.5Confident89 Ų8946.6 Ų46.642%0.41625%0.251SS..  trans-117.5136.3176.9-60-172.512.800109.9M73 N181 G182M73-Q184 WeakPolarHBondContact CB-O 3.46Å; M73-Q184 WeakPolarHBondContact CG-O 3.37Å; M73-Q184 PolarHBondContact N-O 3.24Å; N181-Q184 PolarHBondContact O-NE2 3.34Å; G182-Q184 PolarHBondContact O-N 3.35Å
185P83Confident85.7Confident21 Ų2146 Ų4614%0.13625%0.248CC..PPolyproline II helixtrans-71.4164.2178.223.9-19000111.3S72 F227 L228S72-P185 VanDerWaalsContact CB-O 3.24Å; S72-P185 WeakPolarHBondContact CB-O 3.32Å; P185-F227 HydrophobicContact CB-CD1 4.3Å; P185-F227 HydrophobicContact CB-CE1 3.78Å; P185-F227 HydrophobicContact CB-CZ 4.13Å; P185-F227 VanDerWaalsContact CD-CZ 3.48Å; P185-F227 HydrophobicContact CG-CD1 4.02Å; P185-F227 HydrophobicContact CG-CD2 4.37Å; P185-F227 HydrophobicContact CG-CE1 3.75Å; P185-F227 HydrophobicContact CG-CE2 4.15Å; P185-F227 HydrophobicContact CG-CG 4.33Å; P185-F227 HydrophobicContact CG-CZ 3.84Å; P185-F227 WeakPolarHBondContact CG-O 3.35Å; P185-L228 HydrophobicContact CB-CD2 3.73Å; P185-L228 HydrophobicContact CG-CD2 4.35Å
186P77.1Confident85.9Confident45 Ų4546 Ų4629%0.29225%0.248SC..PPolyproline II helixtrans-52.9138.5169-2029.4000110.5M73 L188 P585M73-P186 WeakPolarHBondContact O-CG 3.4Å; P186-L188 PolarHBondContact O-N 3.27Å; P186-P585 HydrophobicContact CG-CB 4.27Å
187P71.1Confident86.1Confident107 Ų10744.9 Ų44.970%0.69524%0.241SC*.PPolyproline II helixtrans-62.6133.9-17925.8-34.1000110.3S72 A189S72-P187 WeakPolarHBondContact OG-CD 3.32Å; P187-A189 PolarHBondContact O-N 2.9Å
188L71.3Confident86.4Confident59 Ų5944 Ų4431%0.30923%0.234SC..PPolyproline II helixtrans-71.5126.8169.4-68.1172.5000109.2P186 T190 L228 Y230P186-L188 PolarHBondContact O-N 3.27Å; L188-T190 PolarHBondContact O-N 3.45Å; L188-T190 VanDerWaalsContact O-N 3.13Å; L188-L228 WeakPolarHBondContact CD1-O 3.49Å; L188-L228 WeakPolarHBondContact CG-O 3.48Å; L188-Y230 HydrophobicContact CD1-CD1 4.26Å; L188-Y230 HydrophobicContact CD1-CD2 3.5Å; L188-Y230 HydrophobicContact CD1-CE1 4.27Å; L188-Y230 HydrophobicContact CD1-CE2 3.51Å; L188-Y230 HydrophobicContact CD1-CG 3.89Å; L188-Y230 HydrophobicContact CD2-CE2 3.81Å; L188-Y230 HydrophobicContact CG-CE2 4.29Å
189A67.9Low86.5Confident47 Ų4743.7 Ų43.739%0.38823%0.233SC..SBendtrans-38.5-45.3161.400000113.9M1 D3 P187M1-A189 CarbonylContact O-C 3.54Å; D3-A189 VanDerWaalsContact CA-CB 3.42Å; D3-A189 HydrophobicContact CB-CB 3.16Å; D3-A189 VanDerWaalsContact CG-CB 3.47Å; P187-A189 PolarHBondContact O-N 2.9Å
190T75.4Confident86.6Confident25 Ų2543.7 Ų43.715%0.15324%0.236CC..SBendtrans-143.4126.5-170.170.30000111M1 G2 L188 K192M1-T190 VanDerWaalsContact CA-CG2 3.47Å; M1-T190 HydrophobicContact CB-CG2 3.96Å; M1-T190 VanDerWaalsContact O-CA 3.26Å; M1-T190 WeakPolarHBondContact O-CA 3.35Å; M1-T190 WeakPolarHBondContact O-CB 3.34Å; M1-T190 WeakPolarHBondContact O-CG2 3.5Å; G2-T190 VanDerWaalsContact N-CB 3.34Å; L188-T190 PolarHBondContact O-N 3.45Å; L188-T190 VanDerWaalsContact O-N 3.13Å; T190-K192 HydrophobicContact CG2-CG 4.43Å; T190-K192 PolarHBondContact O-N 3.49Å
191R81.8Confident86.7Confident168 Ų16841.2 Ų41.263%0.63422%0.222SC*.  trans-69.7100.3168.3-168.7169.9-176.2-168.6-6.9109.2D231R191-D231 HydrophobicContact CG-CB 4.18Å; R191-D231 IonicContact CZ-OD1 2.67Å; R191-D231 IonicContact NH2-OD1 2.75Å; R191-D231 PolarHBondContact NH2-OD1 3.35Å; R191-D231 VanDerWaalsContact NH2-OD1 3.07Å
192K88.8Confident86.7Confident78 Ų7841.2 Ų41.234%0.33922%0.223SC..  trans-89148.5173.9-70.2-175.9-178.6-174.90110.1T190 Y230 D231 D405T190-K192 HydrophobicContact CG2-CG 4.43Å; T190-K192 PolarHBondContact O-N 3.49Å; K192-Y230 HydrophobicContact CB-CD1 3.69Å; K192-Y230 HydrophobicContact CB-CE1 3.79Å; K192-Y230 HydrophobicContact CD-CE1 4.2Å; K192-Y230 HydrophobicContact CG-CE1 4.42Å; K192-D231 PolarHBondContact O-N 3.48Å; K192-D405 WeakPolarHBondContact CA-OD2 3.49Å; K192-D405 HydrophobicContact CB-CB 3.91Å; K192-D405 WeakPolarHBondContact CB-OD2 3.47Å; K192-D405 HydrophobicContact CD-CB 4.18Å; K192-D405 HydrophobicContact CG-CB 4.13Å
193R91.9Very high86.5Confident81 Ų8139.9 Ų39.931%0.30621%0.208SC..BIsolated β-bridgetrans-91.9127.4175.7-177.9170.8-73.5174.3-1.4110.4D231 E402 D405 I406R193-D231 IonicContact CZ-OD2 2.81Å; R193-D231 IonicContact NE-OD2 3.11Å; R193-D231 PolarHBondContact NE-OD2 3.06Å; R193-D231 IonicContact NH2-OD2 2.77Å; R193-E402 WeakPolarHBondContact CD-O 3.31Å; R193-E402 PolarHBondContact NH1-O 3.46Å; R193-D405 PolarHBondContact N-OD2 2.73Å; R193-D405 PolarHBondContact O-N 2.83Å; R193-I406 PolarHBondContact O-N 3.23Å; R193-I406 VanDerWaalsContact O-N 3.15Å
194V94.4Very high86Confident0 Ų038.9 Ų38.90%020%0.202CC..EExtended strand (participates in β ladder)trans-121.5128.9-177.8-1750000109.2V196 F225 Y230 D231 V232 G236 I406 I408V194-V196 HydrophobicContact CG1-CG2 4.11Å; V194-F225 HydrophobicContact CG1-CD1 4.33Å; V194-F225 HydrophobicContact CG1-CD2 3.97Å; V194-F225 HydrophobicContact CG1-CE1 4.46Å; V194-F225 HydrophobicContact CG1-CE2 4.16Å; V194-F225 HydrophobicContact CG1-CG 4.11Å; V194-F225 HydrophobicContact CG1-CZ 4.4Å; V194-F225 HydrophobicContact CG2-CD1 4.02Å; V194-F225 HydrophobicContact CG2-CE1 4.41Å; V194-F225 HydrophobicContact CG2-CG 4.35Å; V194-Y230 HydrophobicContact CG2-CD1 3.45Å; V194-Y230 VanDerWaalsContact CG2-CD1 3.45Å; V194-Y230 HydrophobicContact CG2-CE1 4.28Å; V194-Y230 HydrophobicContact CG2-CG 3.87Å; V194-D231 PolarHBondContact N-O 3.01Å; V194-D231 VanDerWaalsContact N-O 3.15Å; V194-V232 HydrophobicContact CB-CG2 4.25Å; V194-G236 WeakPolarHBondContact O-CA 3.35Å; V194-I406 WeakPolarHBondContact CA-O 3.17Å; V194-I406 HydrophobicContact CB-CB 4.4Å; V194-I406 HydrophobicContact CG1-CB 4.08Å; V194-I406 HydrophobicContact CG1-CG2 4.18Å; V194-I406 HydrophobicContact CG2-CB 4.03Å; V194-I406 HydrophobicContact CG2-CD1 4.05Å; V194-I406 HydrophobicContact CG2-CG1 4.29Å; V194-I408 HydrophobicContact CG1-CD1 4.33Å
195I96.1Very high85.8Confident0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-113126.8172.8-63-179.1000108.4L238 R398 E402 A404 I406 V407 I408I195-L238 HydrophobicContact CG2-CD1 3.4Å; I195-L238 VanDerWaalsContact CG2-CD1 3.4Å; I195-L238 HydrophobicContact CG2-CG 3.84Å; I195-R398 HydrophobicContact CD1-CB 4.01Å; I195-R398 HydrophobicContact CD1-CG 3.99Å; I195-R398 HydrophobicContact CG2-CG 4.43Å; I195-E402 HydrophobicContact CD1-CB 3.58Å; I195-E402 HydrophobicContact CD1-CG 3.88Å; I195-A404 HydrophobicContact CB-CB 4.48Å; I195-A404 HydrophobicContact CD1-CB 3.74Å; I195-A404 HydrophobicContact CG1-CB 3.91Å; I195-I406 PolarHBondContact N-O 3.09Å; I195-V407 HydrophobicContact CB-CG1 4.45Å; I195-V407 CarbonylContact O-C 3.48Å; I195-V407 WeakPolarHBondContact O-CA 3.13Å; I195-I408 PolarHBondContact O-N 2.8Å
196V96.9Very high85.6Confident0 Ų040.6 Ų40.60%021%0.206CC..EExtended strand (participates in β ladder)trans-117.8120.3175-170.90000107.6V194 F198 C222 G236 L238 I408 V410V194-V196 HydrophobicContact CG1-CG2 4.11Å; V196-F198 HydrophobicContact CB-CD1 4.31Å; V196-F198 HydrophobicContact CG1-CD1 3.96Å; V196-C222 VanDerWaalsContact CB-SG 3.52Å; V196-G236 PolarHBondContact N-O 3.1Å; V196-L238 PolarHBondContact O-N 3.37Å; V196-I408 WeakPolarHBondContact CA-O 3.21Å; V196-I408 HydrophobicContact CG1-CB 4.44Å; V196-I408 HydrophobicContact CG2-CB 4.43Å; V196-I408 HydrophobicContact CG2-CD1 4.43Å; V196-V410 HydrophobicContact CG1-CG2 3.7Å
197D96.1Very high86Confident4 Ų438.9 Ų38.92%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-98.5116175.2-176.3-12.1000109.1S200 H240 R398 I408 Y409 V410D197-S200 PolarHBondContact OD1-OG 3.37Å; D197-H240 VanDerWaalsContact OD1-CB 3.25Å; D197-H240 WeakPolarHBondContact OD1-CB 3.24Å; D197-H240 WeakPolarHBondContact OD2-CB 3.26Å; D197-R398 IonicContact OD2-CZ 2.91Å; D197-R398 VanDerWaalsContact OD2-CZ 3.26Å; D197-R398 IonicContact OD2-NH1 3.79Å; D197-R398 PolarHBondContact OD2-NH1 3.35Å; D197-R398 IonicContact OD2-NH2 3.96Å; D197-R398 PolarHBondContact OD2-NH2 3.02Å; D197-I408 PolarHBondContact N-O 3.26Å; D197-Y409 HydrophobicContact CB-CD1 4.26Å; D197-V410 WeakPolarHBondContact O-CB 3.44Å; D197-V410 PolarHBondContact O-N 3.16Å
198F95.7Very high86.6Confident0 Ų037.1 Ų37.10%018%0.177CC..  trans-154.4168.3-173.273.4-85.5000112.8V196 S200 S214 D219 R237 L238 I331 I333 V410V196-F198 HydrophobicContact CB-CD1 4.31Å; V196-F198 HydrophobicContact CG1-CD1 3.96Å; F198-S200 PolarHBondContact O-N 3.37Å; F198-S200 PolarHBondContact O-OG 3.49Å; F198-S214 WeakPolarHBondContact CA-OG 3.31Å; F198-D219 HydrophobicContact CE2-CB 4.25Å; F198-R237 HydrophobicContact CE1-CB 3.96Å; F198-R237 HydrophobicContact CE1-CG 4.27Å; F198-R237 HydrophobicContact CZ-CB 4.43Å; F198-L238 PolarHBondContact N-O 3.3Å; F198-I331 HydrophobicContact CE2-CG2 4.01Å; F198-I331 HydrophobicContact CZ-CG2 4.29Å; F198-I333 HydrophobicContact CD1-CD1 4.29Å; F198-I333 HydrophobicContact CD2-CD1 3.99Å; F198-I333 HydrophobicContact CE1-CD1 3.95Å; F198-I333 HydrophobicContact CE1-CG1 4.11Å; F198-I333 HydrophobicContact CE2-CD1 3.65Å; F198-I333 HydrophobicContact CE2-CG1 4.35Å; F198-I333 HydrophobicContact CG-CD1 4.31Å; F198-I333 HydrophobicContact CZ-CB 4.37Å; F198-I333 HydrophobicContact CZ-CD1 3.62Å; F198-I333 HydrophobicContact CZ-CG1 3.85Å; F198-I333 WeakPolarHBondContact O-CD1 3.42Å; F198-V410 HydrophobicContact CB-CB 3.94Å; F198-V410 HydrophobicContact CB-CG2 4.19Å
199S93.9Very high87.3Confident2 Ų235.1 Ų35.11%0.01417%0.167CC..  trans70.4-65.5-172.1-159.60000113.8P201 M207 H211 S214 T215 Y326S199-P201 VanDerWaalsContact C-CD 3.43Å; S199-P201 VanDerWaalsContact O-N 3.13Å; S199-M207 WeakPolarHBondContact OG-CE 3.47Å; S199-H211 PolarHBondContact O-CD2 3.49Å; S199-S214 PolarHBondContact N-OG 2.87Å; S199-T215 WeakPolarHBondContact CA-OG1 3.16Å; S199-T215 VanDerWaalsContact CB-OG1 3.28Å; S199-T215 WeakPolarHBondContact CB-OG1 3.35Å; S199-T215 PolarHBondContact OG-OG1 3.17Å; S199-Y326 WeakPolarHBondContact OG-CE1 3.2Å; S199-Y326 PolarHBondContact OG-OH 3.44Å
200S91.7Very high88.1Confident29 Ų2933.7 Ų33.720%0.20316%0.158CC..  trans37.153.6169.9-56.90000115.1D197 F198 N239 H240D197-S200 PolarHBondContact OD1-OG 3.37Å; F198-S200 PolarHBondContact O-N 3.37Å; F198-S200 PolarHBondContact O-OG 3.49Å; S200-N239 VanDerWaalsContact CA-OD1 3.26Å; S200-N239 WeakPolarHBondContact CA-OD1 3.37Å; S200-N239 PolarHBondContact N-OD1 3.03Å; S200-H240 VanDerWaalsContact CB-O 3.22Å; S200-H240 WeakPolarHBondContact CB-O 3.44Å; S200-H240 WeakPolarHBondContact OG-CA 3.46Å; S200-H240 WeakPolarHBondContact OG-CB 3.47Å; S200-H240 PolarHBondContact OG-N 2.95Å; S200-H240 PolarHBondContact OG-O 3.32Å
201P91.5Very high88.8Confident0 Ų033.7 Ų33.70%016%0.156CC..PPolyproline II helixtrans-70.4159.4176.435.8-40.9000111.5S199 M207 N239 V241 G242 F322S199-P201 VanDerWaalsContact C-CD 3.43Å; S199-P201 VanDerWaalsContact O-N 3.13Å; P201-M207 HydrophobicContact CB-CE 3.75Å; P201-M207 HydrophobicContact CB-CG 3.9Å; P201-M207 HydrophobicContact CG-CE 3.51Å; P201-N239 VanDerWaalsContact CD-OD1 3.24Å; P201-N239 WeakPolarHBondContact CD-OD1 3.47Å; P201-V241 HydrophobicContact CG-CG2 4.4Å; P201-V241 WeakPolarHBondContact O-CA 3.28Å; P201-V241 WeakPolarHBondContact O-CG1 3.46Å; P201-G242 PolarHBondContact O-N 3.33Å; P201-F322 HydrophobicContact CB-CE1 4.24Å; P201-F322 HydrophobicContact CB-CE2 4.04Å; P201-F322 HydrophobicContact CB-CZ 3.83Å; P201-F322 HydrophobicContact CG-CD2 3.8Å; P201-F322 HydrophobicContact CG-CE1 4.37Å; P201-F322 HydrophobicContact CG-CE2 3.5Å; P201-F322 HydrophobicContact CG-CG 4.34Å; P201-F322 HydrophobicContact CG-CZ 3.83Å
202N88.8Confident89.3Confident57 Ų5726.1 Ų26.131%0.30513%0.128SC..BIsolated β-bridgetrans-86.3130.6169.4-71.9-70.1000110.3K205N202-K205 HydrophobicContact CB-CB 4.24Å; N202-K205 HydrophobicContact CB-CD 4.09Å; N202-K205 HydrophobicContact CB-CG 4.42Å; N202-K205 PolarHBondContact O-N 3.39Å
203I86.3Confident89.5Confident3 Ų322.6 Ų22.62%0.01511%0.112CC..THydrogen-bonded Turntrans-61146.3172.2-66-72.3000109.1K205 V241 G242 D243 F248 I314 F322I203-K205 PolarHBondContact O-N 3.49Å; I203-K205 VanDerWaalsContact O-N 3.16Å; I203-V241 HydrophobicContact CD1-CG1 3.71Å; I203-V241 HydrophobicContact CG1-CG1 3.41Å; I203-V241 VanDerWaalsContact CG1-CG1 3.41Å; I203-G242 PolarHBondContact N-O 3.46Å; I203-G242 VanDerWaalsContact N-O 3.09Å; I203-D243 HydrophobicContact CG1-CB 3.79Å; I203-F248 HydrophobicContact CB-CE1 4.33Å; I203-F248 HydrophobicContact CB-CZ 3.7Å; I203-F248 HydrophobicContact CG1-CZ 4.47Å; I203-F248 HydrophobicContact CG2-CE1 3.64Å; I203-F248 HydrophobicContact CG2-CZ 3.53Å; I203-I314 HydrophobicContact CG2-CG2 4.46Å; I203-F322 HydrophobicContact CD1-CE2 3.79Å
204A80.1Confident89.6Confident2 Ų219.1 Ų19.12%0.01710%0.1CC..THydrogen-bonded Turntrans64.87.7-17600000117.3L251 L272 Y276 S318A204-L251 HydrophobicContact CB-CD1 3.44Å; A204-L251 VanDerWaalsContact CB-CD1 3.44Å; A204-L251 HydrophobicContact CB-CD2 4.43Å; A204-L272 HydrophobicContact CB-CD2 3.23Å; A204-Y276 HydrophobicContact CB-CD2 4.36Å; A204-S318 PolarHBondContact N-OG 2.92Å
205K81.1Confident89.7Confident101 Ų10119.1 Ų19.144%0.43910%0.1SC..SBendtrans-116.4149.8164.3-65.8-178.2-177.9170.60109.3N202 I203N202-K205 HydrophobicContact CB-CB 4.24Å; N202-K205 HydrophobicContact CB-CD 4.09Å; N202-K205 HydrophobicContact CB-CG 4.42Å; N202-K205 PolarHBondContact O-N 3.39Å; I203-K205 PolarHBondContact O-N 3.49Å; I203-K205 VanDerWaalsContact O-N 3.16Å
206E78.8Confident89.6Confident44 Ų4419.3 Ų19.321%0.20610%0.101CC..  trans-70.6142.8175.9-65-177144.100110.8Q273 R464E206-Q273 VanDerWaalsContact CD-NE2 3.3Å; E206-Q273 HydrophobicContact CG-CB 3.87Å; E206-Q273 HydrophobicContact CG-CG 4.04Å; E206-Q273 VanDerWaalsContact OE2-CD 3.24Å; E206-Q273 PolarHBondContact OE2-NE2 3.32Å; E206-R464 WeakPolarHBondContact OE1-CD 3.15Å; E206-R464 WeakPolarHBondContact OE1-CG 3.46Å; E206-R464 VanDerWaalsContact OE2-CG 3.25Å; E206-R464 WeakPolarHBondContact OE2-CG 3.34Å
207M86.4Confident89.6Confident9 Ų919.4 Ų19.44%0.04410%0.102CC..  trans-63.6136.9165-80.2-172.4154.300110.1S199 P201 F322 V325 Y326 L465S199-M207 WeakPolarHBondContact OG-CE 3.47Å; P201-M207 HydrophobicContact CB-CE 3.75Å; P201-M207 HydrophobicContact CB-CG 3.9Å; P201-M207 HydrophobicContact CG-CE 3.51Å; M207-F322 HydrophobicContact CE-CB 4.31Å; M207-F322 HydrophobicContact CE-CD1 4.08Å; M207-F322 HydrophobicContact CE-CG 4.14Å; M207-F322 HydrophobicContact CG-CD1 3.72Å; M207-F322 HydrophobicContact CG-CE1 3.72Å; M207-F322 HydrophobicContact SD-CD1 3.82Å; M207-F322 HydrophobicContact SD-CE1 4.42Å; M207-F322 HydrophobicContact SD-CG 4.37Å; M207-V325 HydrophobicContact SD-CB 4.34Å; M207-V325 HydrophobicContact SD-CG1 4.24Å; M207-V325 HydrophobicContact SD-CG2 4.32Å; M207-Y326 HydrophobicContact CE-CE1 3.83Å; M207-Y326 WeakPolarHBondContact CE-OH 3.46Å; M207-L465 HydrophobicContact CB-CB 4.24Å; M207-L465 HydrophobicContact CB-CD2 4.09Å; M207-L465 PolarHBondContact O-N 3Å; M207-L465 HydrophobicContact SD-CD2 4.25Å
208H84.2Confident89.6Confident70 Ų7019.2 Ų19.232%0.32410%0.101SC..  trans-128.5171.8-179.161.452000109.5G210 H211 L212H208-G210 WeakPolarHBondContact ND1-CA 3.24Å; H208-G210 PolarHBondContact ND1-N 3Å; H208-G210 PolarHBondContact O-N 3.25Å; H208-G210 VanDerWaalsContact O-N 3.08Å; H208-H211 AromaticContact CD2-CE1 3.51Å; H208-H211 AromaticContact CD2-ND1 3.56Å; H208-H211 AromaticContact CE1-CE1 3.34Å; H208-H211 PolarHBondContact CE1-CE1 3.26Å; H208-H211 AromaticContact CE1-CG 3.87Å; H208-H211 AromaticContact CE1-ND1 3.28Å; H208-H211 PolarHBondContact CE1-ND1 3.19Å; H208-H211 VanDerWaalsContact CE1-ND1 3.28Å; H208-H211 AromaticContact CE1-NE2 3.93Å; H208-H211 AromaticContact CG-CE1 3.96Å; H208-H211 AromaticContact CG-ND1 3.54Å; H208-H211 PolarHBondContact N-ND1 2.67Å; H208-H211 AromaticContact ND1-CE1 3.86Å; H208-H211 AromaticContact ND1-CG 3.99Å; H208-H211 PolarHBondContact ND1-N 3.38Å; H208-H211 AromaticContact ND1-ND1 3.35Å; H208-H211 PolarHBondContact ND1-ND1 3.41Å; H208-H211 AromaticContact NE2-CE1 3.11Å; H208-H211 PolarHBondContact NE2-CE1 3.09Å; H208-H211 AromaticContact NE2-ND1 3.43Å; H208-H211 PolarHBondContact NE2-ND1 3.44Å; H208-H211 AromaticContact NE2-NE2 3.89Å; H208-H211 WeakPolarHBondContact O-CB 3.18Å; H208-H211 PolarHBondContact O-N 3.03Å; H208-L212 PolarHBondContact O-N 3.37Å; H208-L212 VanDerWaalsContact O-N 3.15Å
209V85.1Confident89.6Confident17 Ų1719.3 Ų19.310%0.10310%0.101CC..Hα-helixtrans-55.4-30-175.8-640000115.1L212 R213 V447 F455 L468V209-L212 WeakPolarHBondContact O-CB 3.4Å; V209-L212 PolarHBondContact O-N 3.4Å; V209-R213 PolarHBondContact O-N 3.17Å; V209-R213 VanDerWaalsContact O-N 3.07Å; V209-V447 HydrophobicContact CB-CB 4.19Å; V209-V447 HydrophobicContact CB-CG1 4.14Å; V209-V447 HydrophobicContact CB-CG2 4Å; V209-V447 HydrophobicContact CG2-CB 3.65Å; V209-V447 HydrophobicContact CG2-CG1 3.89Å; V209-V447 HydrophobicContact CG2-CG2 3.89Å; V209-F455 HydrophobicContact CG1-CD1 3.78Å; V209-F455 HydrophobicContact CG1-CE1 4Å; V209-F455 HydrophobicContact CG2-CB 4.3Å; V209-F455 HydrophobicContact CG2-CD1 4.09Å; V209-L468 HydrophobicContact CG1-CD1 3.83Å
210G85.7Confident89.7Confident18 Ų1819.3 Ų19.319%0.18610%0.101CC..Hα-helixtrans-62.1-44.1171.200000114H208 L212 R213 S214H208-G210 WeakPolarHBondContact ND1-CA 3.24Å; H208-G210 PolarHBondContact ND1-N 3Å; H208-G210 PolarHBondContact O-N 3.25Å; H208-G210 VanDerWaalsContact O-N 3.08Å; G210-L212 VanDerWaalsContact C-N 3.3Å; G210-L212 PolarHBondContact O-N 3.48Å; G210-R213 PolarHBondContact O-N 3.39Å; G210-S214 PolarHBondContact O-N 3.23Å
211H90.3Very high89.9Confident24 Ų2418 Ų1811%0.1119%0.092CC..Hα-helixtrans-65.5-36.3173.5-57.9116000110.6S199 H208 R213 S214 T215S199-H211 PolarHBondContact O-CD2 3.49Å; H208-H211 AromaticContact CD2-CE1 3.51Å; H208-H211 AromaticContact CD2-ND1 3.56Å; H208-H211 AromaticContact CE1-CE1 3.34Å; H208-H211 PolarHBondContact CE1-CE1 3.26Å; H208-H211 AromaticContact CE1-CG 3.87Å; H208-H211 AromaticContact CE1-ND1 3.28Å; H208-H211 PolarHBondContact CE1-ND1 3.19Å; H208-H211 VanDerWaalsContact CE1-ND1 3.28Å; H208-H211 AromaticContact CE1-NE2 3.93Å; H208-H211 AromaticContact CG-CE1 3.96Å; H208-H211 AromaticContact CG-ND1 3.54Å; H208-H211 PolarHBondContact N-ND1 2.67Å; H208-H211 AromaticContact ND1-CE1 3.86Å; H208-H211 AromaticContact ND1-CG 3.99Å; H208-H211 PolarHBondContact ND1-N 3.38Å; H208-H211 AromaticContact ND1-ND1 3.35Å; H208-H211 PolarHBondContact ND1-ND1 3.41Å; H208-H211 AromaticContact NE2-CE1 3.11Å; H208-H211 PolarHBondContact NE2-CE1 3.09Å; H208-H211 AromaticContact NE2-ND1 3.43Å; H208-H211 PolarHBondContact NE2-ND1 3.44Å; H208-H211 AromaticContact NE2-NE2 3.89Å; H208-H211 WeakPolarHBondContact O-CB 3.18Å; H208-H211 PolarHBondContact O-N 3.03Å; H211-R213 PolarHBondContact O-N 3.29Å; H211-S214 PolarHBondContact O-N 3.31Å; H211-T215 WeakPolarHBondContact O-CB 2.9Å; H211-T215 PolarHBondContact O-N 3.32Å; H211-T215 PolarHBondContact O-OG1 2.81Å
212L90.9Very high90.1Very high10 Ų1018 Ų185%0.0529%0.092CC..Hα-helixtrans-57.9-46.1175.3179.365.3000111.8H208 V209 G210 T215 I216 L329 L465 L468 I506H208-L212 PolarHBondContact O-N 3.37Å; H208-L212 VanDerWaalsContact O-N 3.15Å; V209-L212 WeakPolarHBondContact O-CB 3.4Å; V209-L212 PolarHBondContact O-N 3.4Å; G210-L212 VanDerWaalsContact C-N 3.3Å; G210-L212 PolarHBondContact O-N 3.48Å; L212-T215 WeakPolarHBondContact O-CA 3.08Å; L212-T215 WeakPolarHBondContact O-CB 3.26Å; L212-T215 PolarHBondContact O-N 3.05Å; L212-T215 VanDerWaalsContact O-N 3.11Å; L212-I216 HydrophobicContact CD1-CD1 3.65Å; L212-I216 HydrophobicContact CD1-CG1 3.97Å; L212-I216 HydrophobicContact CD2-CD1 4.19Å; L212-I216 HydrophobicContact CG-CD1 3.63Å; L212-I216 HydrophobicContact CG-CG1 4.32Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 2.85Å; L212-L329 HydrophobicContact CD1-CD1 3.62Å; L212-L465 HydrophobicContact CB-CD1 3.9Å; L212-L465 HydrophobicContact CB-CD2 4.14Å; L212-L465 HydrophobicContact CD1-CD1 3.86Å; L212-L465 HydrophobicContact CD1-CD2 4.11Å; L212-L465 HydrophobicContact CD2-CD1 3.6Å; L212-L465 HydrophobicContact CG-CD1 3.96Å; L212-L468 HydrophobicContact CD2-CD2 4.47Å; L212-I506 HydrophobicContact CD2-CG2 4.05Å
213R93.1Very high90.3Very high4 Ų417 Ų172%0.0158%0.084CC..Hα-helixtrans-57.6-52.6177.9-67-160.479.2179.37.4111.8V209 G210 H211 T215 I216 I217 F444 G445 V447 D510 N517V209-R213 PolarHBondContact O-N 3.17Å; V209-R213 VanDerWaalsContact O-N 3.07Å; G210-R213 PolarHBondContact O-N 3.39Å; H211-R213 PolarHBondContact O-N 3.29Å; R213-T215 PolarHBondContact O-N 2.73Å; R213-I216 PolarHBondContact O-N 3.4Å; R213-I217 HydrophobicContact CB-CD1 4.38Å; R213-I217 WeakPolarHBondContact O-CB 3.39Å; R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.37Å; R213-I217 PolarHBondContact O-N 2.95Å; R213-F444 HydrophobicContact CB-CD2 3.92Å; R213-F444 HydrophobicContact CB-CE2 3.85Å; R213-F444 HydrophobicContact CB-CG 4.44Å; R213-F444 HydrophobicContact CB-CZ 4.29Å; R213-G445 VanDerWaalsContact NH1-C 3.31Å; R213-G445 PolarHBondContact NH1-O 3.07Å; R213-V447 HydrophobicContact CG-CG2 3.69Å; R213-D510 WeakPolarHBondContact CA-OD2 3.4Å; R213-D510 IonicContact CZ-OD1 3.63Å; R213-D510 IonicContact NE-OD1 3.9Å; R213-D510 PolarHBondContact NE-OD1 3.17Å; R213-D510 IonicContact NE-OD2 3.94Å; R213-D510 IonicContact NH2-OD1 3.2Å; R213-D510 PolarHBondContact NH2-OD1 3.06Å; R213-N517 PolarHBondContact NH1-O 3.02Å
214S95.3Very high90.7Very high7 Ų716.9 Ų16.95%0.0498%0.083CC..Hα-helixtrans-54.6-42.2175.2177.30000111.2F198 S199 G210 H211 G218 V410F198-S214 WeakPolarHBondContact CA-OG 3.31Å; S199-S214 PolarHBondContact N-OG 2.87Å; G210-S214 PolarHBondContact O-N 3.23Å; H211-S214 PolarHBondContact O-N 3.31Å; S214-G218 PolarHBondContact O-N 3.38Å; S214-V410 WeakPolarHBondContact CB-O 3.28Å; S214-V410 PolarHBondContact OG-O 3.23Å
215T95.5Very high91.3Very high0 Ų016.8 Ų16.80%08%0.083CC..Hα-helixtrans-61.7-47.8-179.4-51.10000112.5S199 H211 L212 R213 D219 Y326 I331S199-T215 WeakPolarHBondContact CA-OG1 3.16Å; S199-T215 VanDerWaalsContact CB-OG1 3.28Å; S199-T215 WeakPolarHBondContact CB-OG1 3.35Å; S199-T215 PolarHBondContact OG-OG1 3.17Å; H211-T215 WeakPolarHBondContact O-CB 2.9Å; H211-T215 PolarHBondContact O-N 3.32Å; H211-T215 PolarHBondContact O-OG1 2.81Å; L212-T215 WeakPolarHBondContact O-CA 3.08Å; L212-T215 WeakPolarHBondContact O-CB 3.26Å; L212-T215 PolarHBondContact O-N 3.05Å; L212-T215 VanDerWaalsContact O-N 3.11Å; R213-T215 PolarHBondContact O-N 2.73Å; T215-D219 WeakPolarHBondContact O-CB 3.45Å; T215-D219 PolarHBondContact O-N 2.7Å; T215-D219 VanDerWaalsContact O-N 3.12Å; T215-Y326 HydrophobicContact CG2-CD1 4.18Å; T215-Y326 HydrophobicContact CG2-CE1 4Å; T215-I331 HydrophobicContact CG2-CD1 3.48Å; T215-I331 VanDerWaalsContact CG2-CD1 3.48Å; T215-I331 HydrophobicContact CG2-CG2 4.46Å
216I95.2Very high91.8Very high4 Ų414.1 Ų14.12%0.0217%0.071CC..Hα-helixtrans-71.4-48.1-178.1-64.6166.7000111.1L212 R213 S220 I506 K507 L511L212-I216 HydrophobicContact CD1-CD1 3.65Å; L212-I216 HydrophobicContact CD1-CG1 3.97Å; L212-I216 HydrophobicContact CD2-CD1 4.19Å; L212-I216 HydrophobicContact CG-CD1 3.63Å; L212-I216 HydrophobicContact CG-CG1 4.32Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 2.85Å; R213-I216 PolarHBondContact O-N 3.4Å; I216-S220 WeakPolarHBondContact O-CB 3.2Å; I216-S220 PolarHBondContact O-N 3.42Å; I216-I506 HydrophobicContact CD1-CG2 4.28Å; I216-K507 HydrophobicContact CD1-CG 4.22Å; I216-K507 HydrophobicContact CG1-CG 4.13Å; I216-K507 HydrophobicContact CG2-CB 4Å; I216-K507 HydrophobicContact CG2-CG 3.97Å; I216-L511 HydrophobicContact CG2-CD1 3.91Å; I216-L511 HydrophobicContact CG2-CD2 4.1Å; I216-L511 HydrophobicContact CG2-CG 3.83Å
217I96.3Very high92.5Very high3 Ų313.6 Ų13.62%0.0157%0.069CC..Hα-helixtrans-63.1-47.4-178.5-65.4168000109.8R213 S220 M221 V410 F444 L511 R515 L597R213-I217 HydrophobicContact CB-CD1 4.38Å; R213-I217 WeakPolarHBondContact O-CB 3.39Å; R213-I217 VanDerWaalsContact O-CG1 3.26Å; R213-I217 WeakPolarHBondContact O-CG1 3.37Å; R213-I217 PolarHBondContact O-N 2.95Å; I217-S220 PolarHBondContact O-N 3.07Å; I217-M221 HydrophobicContact CG2-CE 3.68Å; I217-M221 HydrophobicContact CG2-SD 4.27Å; I217-M221 WeakPolarHBondContact O-CG 3.24Å; I217-M221 PolarHBondContact O-N 3.5Å; I217-V410 HydrophobicContact CB-CG1 4.09Å; I217-V410 HydrophobicContact CG2-CG1 3.87Å; I217-F444 HydrophobicContact CD1-CB 3.99Å; I217-F444 HydrophobicContact CD1-CD1 4.32Å; I217-F444 HydrophobicContact CD1-CG 4.24Å; I217-L511 HydrophobicContact CG1-CD2 4.01Å; I217-R515 HydrophobicContact CD1-CB 4.1Å; I217-L597 HydrophobicContact CG2-CD1 4.41Å
218G95.8Very high92.6Very high0 Ų013.9 Ų13.90%07%0.07CC..Hα-helixtrans-63.3-43.9179.700000113.2S214 S220 M221 C222S214-G218 PolarHBondContact O-N 3.38Å; G218-S220 PolarHBondContact O-N 2.75Å; G218-M221 PolarHBondContact O-N 2.98Å; G218-C222 PolarHBondContact O-N 3.23Å; G218-C222 PolarHBondContact O-SG 3.3Å
219D95.7Very high92.8Very high2 Ų212.3 Ų12.31%0.0117%0.073CC..Hα-helixtrans-61.2-44.2175.9-178.860.8000111.7F198 T215 M221 C222 R223 R237 I331F198-D219 HydrophobicContact CE2-CB 4.25Å; T215-D219 WeakPolarHBondContact O-CB 3.45Å; T215-D219 PolarHBondContact O-N 2.7Å; T215-D219 VanDerWaalsContact O-N 3.12Å; D219-M221 PolarHBondContact O-N 2.9Å; D219-C222 WeakPolarHBondContact O-CB 3.18Å; D219-C222 PolarHBondContact O-N 3.34Å; D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 2.81Å; D219-R223 IonicContact OD1-NE 2.81Å; D219-R223 IonicContact OD2-CZ 2.85Å; D219-R223 IonicContact OD2-NE 2.9Å; D219-R223 PolarHBondContact OD2-NE 2.77Å; D219-R223 IonicContact OD2-NH2 3.31Å; D219-R237 IonicContact OD1-CZ 3.51Å; D219-R237 IonicContact OD1-NH1 3.89Å; D219-R237 PolarHBondContact OD1-NH1 3.44Å; D219-R237 IonicContact OD1-NH2 3.46Å; D219-I331 HydrophobicContact CB-CD1 3.96Å; D219-I331 HydrophobicContact CB-CG1 4.11Å; D219-I331 HydrophobicContact CB-CG2 4.27Å
220S96.3Very high93Very high1 Ų113 Ų131%0.0077%0.074CC..Hα-helixtrans-66.2-38179.2-176.10000112.5I216 I217 G218 R223 L224 I654I216-S220 WeakPolarHBondContact O-CB 3.2Å; I216-S220 PolarHBondContact O-N 3.42Å; I217-S220 PolarHBondContact O-N 3.07Å; G218-S220 PolarHBondContact O-N 2.75Å; S220-R223 PolarHBondContact O-N 3.16Å; S220-L224 WeakPolarHBondContact O-CB 3.31Å; S220-L224 PolarHBondContact O-N 3.13Å; S220-I654 VanDerWaalsContact CA-O 3.32Å; S220-I654 WeakPolarHBondContact CA-O 3.44Å; S220-I654 WeakPolarHBondContact CB-O 3.36Å; S220-I654 PolarHBondContact OG-O 2.87Å
221M95.5Very high93.1Very high2 Ų213.3 Ų13.31%0.017%0.072CC..Hα-helixtrans-61.1-45.2170.9-71.6-178.1178.300111.4I217 G218 D219 R223 L224 F225 I408 V410 A442 L595 L597I217-M221 HydrophobicContact CG2-CE 3.68Å; I217-M221 HydrophobicContact CG2-SD 4.27Å; I217-M221 WeakPolarHBondContact O-CG 3.24Å; I217-M221 PolarHBondContact O-N 3.5Å; G218-M221 PolarHBondContact O-N 2.98Å; D219-M221 PolarHBondContact O-N 2.9Å; M221-R223 PolarHBondContact O-N 3.36Å; M221-L224 WeakPolarHBondContact O-CB 3.35Å; M221-L224 PolarHBondContact O-N 3.07Å; M221-F225 HydrophobicContact CB-CE2 4.49Å; M221-F225 WeakPolarHBondContact O-CD2 3.36Å; M221-F225 PolarHBondContact O-N 2.97Å; M221-I408 HydrophobicContact SD-CG2 4.13Å; M221-V410 HydrophobicContact SD-CG2 4.12Å; M221-A442 HydrophobicContact CE-CB 4.06Å; M221-A442 HydrophobicContact SD-CB 4.28Å; M221-L595 HydrophobicContact CE-CB 3.85Å; M221-L595 VanDerWaalsContact CE-O 3.28Å; M221-L595 WeakPolarHBondContact CE-O 3.35Å; M221-L597 HydrophobicContact CG-CD1 4Å
222C95.3Very high92.7Very high0 Ų012.2 Ų12.20%07%0.067CC..Hα-helixtrans-59.2-47.4177.4-65.80000111.5V196 G218 D219 L224 F225 E226 V232 R237V196-C222 VanDerWaalsContact CB-SG 3.52Å; G218-C222 PolarHBondContact O-N 3.23Å; G218-C222 PolarHBondContact O-SG 3.3Å; D219-C222 WeakPolarHBondContact O-CB 3.18Å; D219-C222 PolarHBondContact O-N 3.34Å; C222-L224 VanDerWaalsContact C-N 3.29Å; C222-L224 PolarHBondContact O-N 2.81Å; C222-F225 PolarHBondContact O-N 3.4Å; C222-E226 WeakPolarHBondContact O-CB 3.46Å; C222-E226 WeakPolarHBondContact O-CG 3.35Å; C222-E226 PolarHBondContact O-N 3.37Å; C222-V232 HydrophobicContact CB-CG1 4.08Å; C222-R237 HydrophobicContact CB-CG 4.04Å; C222-R237 VanDerWaalsContact CB-CZ 3.44Å
223R94.5Very high91.3Very high35 Ų3518 Ų1813%0.13210%0.097CC..Hα-helixtrans-61.8-36.1178.1-68.1176.9179.1-105.53112.3D219 S220 M221 F227 D330 D653D219-R223 WeakPolarHBondContact O-CG 3.45Å; D219-R223 PolarHBondContact O-N 2.81Å; D219-R223 IonicContact OD1-NE 2.81Å; D219-R223 IonicContact OD2-CZ 2.85Å; D219-R223 IonicContact OD2-NE 2.9Å; D219-R223 PolarHBondContact OD2-NE 2.77Å; D219-R223 IonicContact OD2-NH2 3.31Å; S220-R223 PolarHBondContact O-N 3.16Å; M221-R223 PolarHBondContact O-N 3.36Å; R223-F227 WeakPolarHBondContact O-CB 3.37Å; R223-F227 PolarHBondContact O-N 2.87Å; R223-D330 IonicContact CZ-OD2 2.88Å; R223-D330 PolarHBondContact NH2-O 2.77Å; R223-D330 IonicContact NH2-OD2 2.74Å; R223-D330 PolarHBondContact NH2-OD2 2.97Å; R223-D653 WeakPolarHBondContact CD-O 3.36Å; R223-D653 IonicContact NH1-OD1 3.07Å
224L94.3Very high89.4Confident1 Ų121.3 Ų21.31%0.00512%0.121CC..Hα-helixtrans-61.9-52.9173.2173.463.4000111.7S220 M221 C222 E226 F227 L228 L588 I591 L597 I654S220-L224 WeakPolarHBondContact O-CB 3.31Å; S220-L224 PolarHBondContact O-N 3.13Å; M221-L224 WeakPolarHBondContact O-CB 3.35Å; M221-L224 PolarHBondContact O-N 3.07Å; C222-L224 VanDerWaalsContact C-N 3.29Å; C222-L224 PolarHBondContact O-N 2.81Å; L224-E226 VanDerWaalsContact C-N 3.31Å; L224-E226 PolarHBondContact O-N 3.41Å; L224-F227 PolarHBondContact O-N 3.41Å; L224-L228 HydrophobicContact CD1-CD1 3.83Å; L224-L228 HydrophobicContact CD1-CG 4.39Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 WeakPolarHBondContact O-CD1 3.41Å; L224-L228 WeakPolarHBondContact O-CG 3.29Å; L224-L228 PolarHBondContact O-N 2.9Å; L224-L228 VanDerWaalsContact O-N 3.09Å; L224-L588 HydrophobicContact CD1-CB 4.47Å; L224-L588 HydrophobicContact CD1-CD2 3.7Å; L224-L588 HydrophobicContact CD1-CG 4.47Å; L224-I591 HydrophobicContact CD2-CB 4.16Å; L224-I591 HydrophobicContact CD2-CG2 3.44Å; L224-I591 VanDerWaalsContact CD2-CG2 3.44Å; L224-L597 HydrophobicContact CD2-CD2 4.43Å; L224-I654 HydrophobicContact CB-CG2 3.93Å; L224-I654 HydrophobicContact CD1-CD1 4.46Å; L224-I654 HydrophobicContact CD1-CG2 4.34Å
225F93Very high87.5Confident1 Ų122.2 Ų22.20%0.00413%0.126CC..Hα-helixtrans-61.9-39.4179-76.3-67.1000111.7V194 M221 C222 L228 G229 Y230 V232 I406 I408 L592 L595V194-F225 HydrophobicContact CG1-CD1 4.33Å; V194-F225 HydrophobicContact CG1-CD2 3.97Å; V194-F225 HydrophobicContact CG1-CE1 4.46Å; V194-F225 HydrophobicContact CG1-CE2 4.16Å; V194-F225 HydrophobicContact CG1-CG 4.11Å; V194-F225 HydrophobicContact CG1-CZ 4.4Å; V194-F225 HydrophobicContact CG2-CD1 4.02Å; V194-F225 HydrophobicContact CG2-CE1 4.41Å; V194-F225 HydrophobicContact CG2-CG 4.35Å; M221-F225 HydrophobicContact CB-CE2 4.49Å; M221-F225 WeakPolarHBondContact O-CD2 3.36Å; M221-F225 PolarHBondContact O-N 2.97Å; C222-F225 PolarHBondContact O-N 3.4Å; F225-L228 PolarHBondContact O-N 2.98Å; F225-G229 PolarHBondContact O-N 3.4Å; F225-Y230 HydrophobicContact CB-CD2 4.26Å; F225-Y230 HydrophobicContact CB-CG 4.35Å; F225-Y230 HydrophobicContact CD1-CD1 4.32Å; F225-Y230 AromaticContact CD1-CD2 3.69Å; F225-Y230 HydrophobicContact CD1-CD2 3.69Å; F225-Y230 AromaticContact CD1-CE2 3.95Å; F225-Y230 HydrophobicContact CD1-CE2 3.95Å; F225-Y230 AromaticContact CD1-CG 3.91Å; F225-Y230 HydrophobicContact CD1-CG 3.91Å; F225-Y230 HydrophobicContact CG-CD2 4.48Å; F225-Y230 WeakPolarHBondContact O-CB 3.48Å; F225-Y230 WeakPolarHBondContact O-CD2 3.27Å; F225-Y230 PolarHBondContact O-N 3.09Å; F225-V232 HydrophobicContact CB-CG2 3.57Å; F225-I406 HydrophobicContact CE1-CD1 4.41Å; F225-I408 HydrophobicContact CD2-CD1 4.37Å; F225-I408 HydrophobicContact CE2-CD1 3.29Å; F225-I408 HydrophobicContact CZ-CD1 3.54Å; F225-L592 HydrophobicContact CD1-CD2 3.87Å; F225-L592 HydrophobicContact CE1-CD2 3.45Å; F225-L592 VanDerWaalsContact CE1-CD2 3.45Å; F225-L592 HydrophobicContact CZ-CD2 4.12Å; F225-L595 HydrophobicContact CE2-CD2 4.2Å; F225-L595 HydrophobicContact CZ-CD2 3.88Å
226E91.8Very high86.4Confident44 Ų4422.3 Ų22.321%0.20613%0.127CC..Hα-helixtrans-62.8-45.4175.2-73.2168.3177.900112.1C222 L224 L228 G229 V232 L233 R237C222-E226 WeakPolarHBondContact O-CB 3.46Å; C222-E226 WeakPolarHBondContact O-CG 3.35Å; C222-E226 PolarHBondContact O-N 3.37Å; L224-E226 VanDerWaalsContact C-N 3.31Å; L224-E226 PolarHBondContact O-N 3.41Å; E226-L228 VanDerWaalsContact C-N 3.27Å; E226-L228 PolarHBondContact O-N 3.4Å; E226-G229 PolarHBondContact O-N 2.91Å; E226-V232 HydrophobicContact CG-CB 3.68Å; E226-V232 HydrophobicContact CG-CG1 4.37Å; E226-V232 HydrophobicContact CG-CG2 3.91Å; E226-L233 HydrophobicContact CG-CD2 4.26Å; E226-L233 HydrophobicContact CG-CG 4.03Å; E226-L233 VanDerWaalsContact OE1-CD2 3.23Å; E226-L233 WeakPolarHBondContact OE1-CD2 3.37Å; E226-R237 IonicContact OE1-CZ 2.82Å; E226-R237 IonicContact OE1-NE 2.84Å; E226-R237 PolarHBondContact OE1-NE 3.01Å; E226-R237 IonicContact OE1-NH2 3.44Å; E226-R237 PolarHBondContact OE1-NH2 3.3Å; E226-R237 VanDerWaalsContact OE1-NH2 3.07Å; E226-R237 IonicContact OE2-CZ 3.65Å; E226-R237 IonicContact OE2-NE 3.78Å; E226-R237 IonicContact OE2-NH2 3.52Å; E226-R237 PolarHBondContact OE2-NH2 2.86Å
227F91.8Very high86.3Confident33 Ų3323.1 Ų23.115%0.14513%0.13CC..Hα-helixtrans-57.3-44.5177174.5-115.8000111.1V183 P185 R223 L224 G229 F584 L588 K650 I654V183-F227 HydrophobicContact CG1-CZ 4.15Å; V183-F227 WeakPolarHBondContact O-CE2 3.07Å; P185-F227 HydrophobicContact CB-CD1 4.3Å; P185-F227 HydrophobicContact CB-CE1 3.78Å; P185-F227 HydrophobicContact CB-CZ 4.13Å; P185-F227 VanDerWaalsContact CD-CZ 3.48Å; P185-F227 HydrophobicContact CG-CD1 4.02Å; P185-F227 HydrophobicContact CG-CD2 4.37Å; P185-F227 HydrophobicContact CG-CE1 3.75Å; P185-F227 HydrophobicContact CG-CE2 4.15Å; P185-F227 HydrophobicContact CG-CG 4.33Å; P185-F227 HydrophobicContact CG-CZ 3.84Å; P185-F227 WeakPolarHBondContact CG-O 3.35Å; R223-F227 WeakPolarHBondContact O-CB 3.37Å; R223-F227 PolarHBondContact O-N 2.87Å; L224-F227 PolarHBondContact O-N 3.41Å; F227-G229 PolarHBondContact O-N 3.13Å; F227-F584 AromaticContact CE1-CE1 3.8Å; F227-F584 HydrophobicContact CE1-CE1 3.8Å; F227-F584 HydrophobicContact CE1-CZ 4.05Å; F227-F584 HydrophobicContact CZ-CE1 4Å; F227-F584 HydrophobicContact CZ-CZ 4.48Å; F227-L588 HydrophobicContact CD1-CD1 3.86Å; F227-L588 HydrophobicContact CE1-CD1 3.54Å; F227-K650 HydrophobicContact CD2-CD 3.56Å; F227-K650 HydrophobicContact CD2-CG 4.19Å; F227-K650 HydrophobicContact CE1-CG 4.29Å; F227-K650 HydrophobicContact CE2-CD 3.44Å; F227-K650 VanDerWaalsContact CE2-CD 3.44Å; F227-K650 HydrophobicContact CE2-CG 3.68Å; F227-K650 HydrophobicContact CG-CD 4.21Å; F227-K650 HydrophobicContact CZ-CD 4.04Å; F227-K650 HydrophobicContact CZ-CG 3.74Å; F227-I654 HydrophobicContact CB-CD1 4.5Å; F227-I654 HydrophobicContact CB-CG1 4.38Å; F227-I654 HydrophobicContact CD1-CD1 3.85Å; F227-I654 HydrophobicContact CE1-CD1 4.39Å; F227-I654 HydrophobicContact CG-CD1 4.24Å
228L89.3Confident86.2Confident15 Ų1523 Ų238%0.07913%0.129CC..Hα-helixtrans-70.8-11.6179.3-67163.1000113.7P185 L188 L224 F225 E226 Y230 L588 L592P185-L228 HydrophobicContact CB-CD2 3.73Å; P185-L228 HydrophobicContact CG-CD2 4.35Å; L188-L228 WeakPolarHBondContact CD1-O 3.49Å; L188-L228 WeakPolarHBondContact CG-O 3.48Å; L224-L228 HydrophobicContact CD1-CD1 3.83Å; L224-L228 HydrophobicContact CD1-CG 4.39Å; L224-L228 HydrophobicContact CG-CD1 4Å; L224-L228 WeakPolarHBondContact O-CD1 3.41Å; L224-L228 WeakPolarHBondContact O-CG 3.29Å; L224-L228 PolarHBondContact O-N 2.9Å; L224-L228 VanDerWaalsContact O-N 3.09Å; F225-L228 PolarHBondContact O-N 2.98Å; E226-L228 VanDerWaalsContact C-N 3.27Å; E226-L228 PolarHBondContact O-N 3.4Å; L228-Y230 HydrophobicContact CB-CD2 3.8Å; L228-Y230 HydrophobicContact CB-CE2 3.85Å; L228-Y230 HydrophobicContact CD1-CE2 4.25Å; L228-L588 HydrophobicContact CD2-CD1 4.31Å; L228-L592 HydrophobicContact CD1-CD1 3.46Å; L228-L592 VanDerWaalsContact CD1-CD1 3.46Å; L228-L592 HydrophobicContact CD1-CD2 3.4Å; L228-L592 VanDerWaalsContact CD1-CD2 3.4Å; L228-L592 HydrophobicContact CD1-CG 3.55Å; L228-L592 HydrophobicContact CD2-CD1 4.43Å
229G88.4Confident86.1Confident38 Ų3823.2 Ų23.239%0.39213%0.13SC..THydrogen-bonded Turntrans96.114.217600000115.3F225 E226 F227F225-G229 PolarHBondContact O-N 3.4Å; E226-G229 PolarHBondContact O-N 2.91Å; F227-G229 PolarHBondContact O-N 3.13Å
230Y89.8Confident86Confident32 Ų3223.9 Ų23.913%0.12513%0.133CC..  trans-69.3154171.2-69.2-96.8000111.3L188 K192 V194 F225 L228 V232 I406 L592L188-Y230 HydrophobicContact CD1-CD1 4.26Å; L188-Y230 HydrophobicContact CD1-CD2 3.5Å; L188-Y230 HydrophobicContact CD1-CE1 4.27Å; L188-Y230 HydrophobicContact CD1-CE2 3.51Å; L188-Y230 HydrophobicContact CD1-CG 3.89Å; L188-Y230 HydrophobicContact CD2-CE2 3.81Å; L188-Y230 HydrophobicContact CG-CE2 4.29Å; K192-Y230 HydrophobicContact CB-CD1 3.69Å; K192-Y230 HydrophobicContact CB-CE1 3.79Å; K192-Y230 HydrophobicContact CD-CE1 4.2Å; K192-Y230 HydrophobicContact CG-CE1 4.42Å; V194-Y230 HydrophobicContact CG2-CD1 3.45Å; V194-Y230 VanDerWaalsContact CG2-CD1 3.45Å; V194-Y230 HydrophobicContact CG2-CE1 4.28Å; V194-Y230 HydrophobicContact CG2-CG 3.87Å; F225-Y230 HydrophobicContact CB-CD2 4.26Å; F225-Y230 HydrophobicContact CB-CG 4.35Å; F225-Y230 HydrophobicContact CD1-CD1 4.32Å; F225-Y230 AromaticContact CD1-CD2 3.69Å; F225-Y230 HydrophobicContact CD1-CD2 3.69Å; F225-Y230 AromaticContact CD1-CE2 3.95Å; F225-Y230 HydrophobicContact CD1-CE2 3.95Å; F225-Y230 AromaticContact CD1-CG 3.91Å; F225-Y230 HydrophobicContact CD1-CG 3.91Å; F225-Y230 HydrophobicContact CG-CD2 4.48Å; F225-Y230 WeakPolarHBondContact O-CB 3.48Å; F225-Y230 WeakPolarHBondContact O-CD2 3.27Å; F225-Y230 PolarHBondContact O-N 3.09Å; L228-Y230 HydrophobicContact CB-CD2 3.8Å; L228-Y230 HydrophobicContact CB-CE2 3.85Å; L228-Y230 HydrophobicContact CD1-CE2 4.25Å; Y230-V232 PolarHBondContact O-N 2.83Å; Y230-I406 HydrophobicContact CE1-CD1 4.11Å; Y230-L592 HydrophobicContact CE2-CD2 4.33Å
231D87.8Confident85.8Confident24 Ų2423.9 Ų23.913%0.12813%0.133CC..BIsolated β-bridgetrans-82.393.2174.7-170.529.8000111R191 K192 R193 V194R191-D231 HydrophobicContact CG-CB 4.18Å; R191-D231 IonicContact CZ-OD1 2.67Å; R191-D231 IonicContact NH2-OD1 2.75Å; R191-D231 PolarHBondContact NH2-OD1 3.35Å; R191-D231 VanDerWaalsContact NH2-OD1 3.07Å; K192-D231 PolarHBondContact O-N 3.48Å; R193-D231 IonicContact CZ-OD2 2.81Å; R193-D231 IonicContact NE-OD2 3.11Å; R193-D231 PolarHBondContact NE-OD2 3.06Å; R193-D231 IonicContact NH2-OD2 2.77Å; V194-D231 PolarHBondContact N-O 3.01Å; V194-D231 VanDerWaalsContact N-O 3.15Å
232V82.3Confident85.6Confident1 Ų124 Ų241%0.00613%0.134CC..  trans-114.8-33.2177.4-164.90000112V194 C222 F225 E226 Y230 S234 G236 R237V194-V232 HydrophobicContact CB-CG2 4.25Å; C222-V232 HydrophobicContact CB-CG1 4.08Å; F225-V232 HydrophobicContact CB-CG2 3.57Å; E226-V232 HydrophobicContact CG-CB 3.68Å; E226-V232 HydrophobicContact CG-CG1 4.37Å; E226-V232 HydrophobicContact CG-CG2 3.91Å; Y230-V232 PolarHBondContact O-N 2.83Å; V232-S234 VanDerWaalsContact C-N 3.34Å; V232-S234 PolarHBondContact O-N 3.36Å; V232-G236 WeakPolarHBondContact O-CA 3.34Å; V232-G236 PolarHBondContact O-N 3.27Å; V232-R237 HydrophobicContact CG1-CG 4.13Å
233L60Low85.2Confident132 Ų13224 Ų2469%0.69114%0.135SC*.THydrogen-bonded Turntrans-65.5-26.3-164-75.6164.9000115.7E226E226-L233 HydrophobicContact CG-CD2 4.26Å; E226-L233 HydrophobicContact CG-CG 4.03Å; E226-L233 VanDerWaalsContact OE1-CD2 3.23Å; E226-L233 WeakPolarHBondContact OE1-CD2 3.37Å
234S53.1Low84.8Confident73 Ų7323.8 Ų23.851%0.5113%0.134SC..THydrogen-bonded Turntrans-90.7-33.3-173.760.10000113.7V232V232-S234 VanDerWaalsContact C-N 3.34Å; V232-S234 PolarHBondContact O-N 3.36Å
235V56.1Low84.1Confident25 Ų2524.8 Ų24.815%0.15215%0.145CC..THydrogen-bonded Turntrans-149.1-4.3-173.9-170.90000113.4R237 L238 R336 E402V235-R237 PolarHBondContact O-N 2.91Å; V235-L238 WeakPolarHBondContact O-CD2 3.43Å; V235-R336 VanDerWaalsContact CG1-NH1 3.33Å; V235-E402 VanDerWaalsContact CG1-CD 3.48Å; V235-E402 HydrophobicContact CG1-CG 4.25Å; V235-E402 VanDerWaalsContact CG1-OE2 3.3Å; V235-E402 WeakPolarHBondContact CG1-OE2 3.2Å
236G72.7Confident83.6Confident3 Ų329.1 Ų29.13%0.03117%0.171CC..  trans-84-6.4-168.200000115.9V194 V196 V232V194-G236 WeakPolarHBondContact O-CA 3.35Å; V196-G236 PolarHBondContact N-O 3.1Å; V232-G236 WeakPolarHBondContact O-CA 3.34Å; V232-G236 PolarHBondContact O-N 3.27Å
237R93.3Very high83.2Confident21 Ų2129.2 Ų29.28%0.07917%0.172CC..EExtended strand (participates in β ladder)trans-108.786.1179.5-65.5167.1168.1-96.62.1109.6F198 D219 C222 E226 V232 V235 K332 I333 V334F198-R237 HydrophobicContact CE1-CB 3.96Å; F198-R237 HydrophobicContact CE1-CG 4.27Å; F198-R237 HydrophobicContact CZ-CB 4.43Å; D219-R237 IonicContact OD1-CZ 3.51Å; D219-R237 IonicContact OD1-NH1 3.89Å; D219-R237 PolarHBondContact OD1-NH1 3.44Å; D219-R237 IonicContact OD1-NH2 3.46Å; C222-R237 HydrophobicContact CB-CG 4.04Å; C222-R237 VanDerWaalsContact CB-CZ 3.44Å; E226-R237 IonicContact OE1-CZ 2.82Å; E226-R237 IonicContact OE1-NE 2.84Å; E226-R237 PolarHBondContact OE1-NE 3.01Å; E226-R237 IonicContact OE1-NH2 3.44Å; E226-R237 PolarHBondContact OE1-NH2 3.3Å; E226-R237 VanDerWaalsContact OE1-NH2 3.07Å; E226-R237 IonicContact OE2-CZ 3.65Å; E226-R237 IonicContact OE2-NE 3.78Å; E226-R237 IonicContact OE2-NH2 3.52Å; E226-R237 PolarHBondContact OE2-NH2 2.86Å; V232-R237 HydrophobicContact CG1-CG 4.13Å; V235-R237 PolarHBondContact O-N 2.91Å; R237-K332 WeakPolarHBondContact CD-O 3.13Å; R237-K332 PolarHBondContact NH1-O 3.01Å; R237-I333 HydrophobicContact CB-CG1 4.44Å; R237-V334 WeakPolarHBondContact O-CB 3.45Å; R237-V334 PolarHBondContact O-N 3.04Å
238L93.9Very high83Confident0 Ų027.6 Ų27.60%017%0.165CC..EExtended strand (participates in β ladder)trans-97.6130.6-173.6-65-173.4000111.8I195 V196 F198 V235 R336 R398I195-L238 HydrophobicContact CG2-CD1 3.4Å; I195-L238 VanDerWaalsContact CG2-CD1 3.4Å; I195-L238 HydrophobicContact CG2-CG 3.84Å; V196-L238 PolarHBondContact O-N 3.37Å; F198-L238 PolarHBondContact N-O 3.3Å; V235-L238 WeakPolarHBondContact O-CD2 3.43Å; L238-R336 HydrophobicContact CD2-CB 4.44Å; L238-R336 HydrophobicContact CD2-CG 4.12Å; L238-R398 HydrophobicContact CD1-CG 4.41Å
239N93.6Very high83Confident4 Ų426.9 Ų26.92%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-99100.9166.4-155.3-12.8000109.2S200 P201 V241 Y326 I333 V334 R336S200-N239 VanDerWaalsContact CA-OD1 3.26Å; S200-N239 WeakPolarHBondContact CA-OD1 3.37Å; S200-N239 PolarHBondContact N-OD1 3.03Å; P201-N239 VanDerWaalsContact CD-OD1 3.24Å; P201-N239 WeakPolarHBondContact CD-OD1 3.47Å; N239-V241 HydrophobicContact CB-CG2 4.02Å; N239-V241 VanDerWaalsContact CG-CG2 3.44Å; N239-V241 PolarHBondContact O-N 3.37Å; N239-V241 WeakPolarHBondContact OD1-CG2 3.44Å; N239-Y326 PolarHBondContact ND2-OH 3.1Å; N239-I333 HydrophobicContact CB-CD1 3.48Å; N239-I333 VanDerWaalsContact CB-CD1 3.48Å; N239-I333 HydrophobicContact CB-CG1 3.79Å; N239-I333 HydrophobicContact CB-CG2 4.38Å; N239-V334 PolarHBondContact N-O 2.82Å; N239-R336 CarbonylContact O-C 3.48Å; N239-R336 VanDerWaalsContact O-C 3.3Å; N239-R336 PolarHBondContact O-N 2.57Å
240H93.6Very high83.1Confident16 Ų1625.6 Ų25.67%0.07415%0.145CC..  trans-83.168.7178.1-164.452.8000110.9D197 S200 R336 Y341 D391D197-H240 VanDerWaalsContact OD1-CB 3.25Å; D197-H240 WeakPolarHBondContact OD1-CB 3.24Å; D197-H240 WeakPolarHBondContact OD2-CB 3.26Å; S200-H240 VanDerWaalsContact CB-O 3.22Å; S200-H240 WeakPolarHBondContact CB-O 3.44Å; S200-H240 WeakPolarHBondContact OG-CA 3.46Å; S200-H240 WeakPolarHBondContact OG-CB 3.47Å; S200-H240 PolarHBondContact OG-N 2.95Å; S200-H240 PolarHBondContact OG-O 3.32Å; H240-R336 PolarHBondContact ND1-O 3.39Å; H240-R336 VanDerWaalsContact ND1-O 3.14Å; H240-Y341 AromaticContact CE1-CD2 3.8Å; H240-Y341 AromaticContact CE1-CE2 3.39Å; H240-Y341 WeakPolarHBondContact CE1-CE2 3.42Å; H240-Y341 AromaticContact ND1-CE2 3.59Å; H240-D391 IonicContact CD2-OD1 3.87Å; H240-D391 IonicContact NE2-OD1 2.68Å
241V92.4Very high83.2Confident2 Ų224 Ų241%0.01214%0.139CC..  trans-66.9136.7-175.3178.70000111.3P201 I203 N239 D243 E335 G337 E338P201-V241 HydrophobicContact CG-CG2 4.4Å; P201-V241 WeakPolarHBondContact O-CA 3.28Å; P201-V241 WeakPolarHBondContact O-CG1 3.46Å; I203-V241 HydrophobicContact CD1-CG1 3.71Å; I203-V241 HydrophobicContact CG1-CG1 3.41Å; I203-V241 VanDerWaalsContact CG1-CG1 3.41Å; N239-V241 HydrophobicContact CB-CG2 4.02Å; N239-V241 VanDerWaalsContact CG-CG2 3.44Å; N239-V241 PolarHBondContact O-N 3.37Å; N239-V241 WeakPolarHBondContact OD1-CG2 3.44Å; V241-D243 HydrophobicContact CG1-CB 4.1Å; V241-D243 PolarHBondContact O-N 2.94Å; V241-E335 HydrophobicContact CB-CG 4.45Å; V241-E335 HydrophobicContact CG2-CG 3.92Å; V241-G337 CarbonylContact O-C 3.58Å; V241-G337 WeakPolarHBondContact O-CA 3.4Å; V241-E338 PolarHBondContact O-N 3.4Å; V241-E338 VanDerWaalsContact O-N 3.15Å
242G89.9Confident83.4Confident3 Ų322.9 Ų22.93%0.03113%0.133CC..BIsolated β-bridgetrans-75.170.4170.200000111.3P201 I203P201-G242 PolarHBondContact O-N 3.33Å; I203-G242 PolarHBondContact N-O 3.46Å; I203-G242 VanDerWaalsContact N-O 3.09Å
243D88.6Confident83.9Confident2 Ų222.9 Ų22.91%0.01113%0.132CC..  trans-98.95.6-178.173.3-21.1000113.3I203 V241 F248 W311 G337 E338 S339I203-D243 HydrophobicContact CG1-CB 3.79Å; V241-D243 HydrophobicContact CG1-CB 4.1Å; V241-D243 PolarHBondContact O-N 2.94Å; D243-F248 WeakPolarHBondContact O-CE2 3.3Å; D243-F248 VanDerWaalsContact O-CZ 3.3Å; D243-F248 WeakPolarHBondContact O-CZ 3.27Å; D243-W311 HydrophobicContact CB-CZ2 4.17Å; D243-W311 WeakPolarHBondContact O-CZ2 3.23Å; D243-W311 PolarHBondContact O-NE1 3.15Å; D243-G337 WeakPolarHBondContact OD1-CA 3.4Å; D243-E338 PolarHBondContact OD1-N 3.44Å; D243-S339 VanDerWaalsContact CG-OG 3.31Å; D243-S339 WeakPolarHBondContact OD1-CB 3.27Å; D243-S339 PolarHBondContact OD1-N 3.01Å; D243-S339 PolarHBondContact OD1-OG 2.95Å; D243-S339 VanDerWaalsContact OD2-CB 3.23Å; D243-S339 WeakPolarHBondContact OD2-CB 3.48Å; D243-S339 PolarHBondContact OD2-OG 3.4Å
244W85.2Confident85.4Confident30 Ų3017.1 Ų17.111%0.11410%0.102CC..  trans-128.7150174.5-156.7-102.6000110.9Q247 L300 Q301 W311 E338 Q342W244-Q247 PolarHBondContact O-NE2 2.87Å; W244-L300 HydrophobicContact CH2-CD2 4.5Å; W244-L300 HydrophobicContact CH2-CG 4.05Å; W244-L300 HydrophobicContact CZ3-CD2 4.29Å; W244-L300 HydrophobicContact CZ3-CG 4.16Å; W244-Q301 HydrophobicContact CZ2-CB 4.43Å; W244-Q301 HydrophobicContact CZ2-CG 3.79Å; W244-W311 HydrophobicContact CE3-CZ2 4.4Å; W244-E338 HydrophobicContact CB-CB 3.78Å; W244-Q342 HydrophobicContact CD2-CG 4.2Å; W244-Q342 HydrophobicContact CZ2-CG 4.02Å
245G80.4Confident87.2Confident22 Ų2213.7 Ų13.723%0.2278%0.078CC..SBendtrans144.7172177.500000114.2Q247 F248G245-Q247 VanDerWaalsContact C-OE1 3.29Å; G245-Q247 PolarHBondContact O-N 3.02Å; G245-F248 PolarHBondContact O-N 3.07Å
246T81.2Confident88.8Confident92 Ų9214.9 Ų14.956%0.5648%0.082SC*.THydrogen-bonded Turntrans-67.2-21.4-175.255.40000112.8F248 G249T246-F248 PolarHBondContact O-N 3.43Å; T246-G249 PolarHBondContact O-N 2.78Å; T246-G249 VanDerWaalsContact O-N 3.16Å
247Q84Confident89.6Confident45 Ų4517.7 Ų17.721%0.2110%0.096CC..Hα-helixtrans-59.8-28.1175.865.8-81.71000113.2W244 G245 G249 M250 L251 Y276W244-Q247 PolarHBondContact O-NE2 2.87Å; G245-Q247 VanDerWaalsContact C-OE1 3.29Å; G245-Q247 PolarHBondContact O-N 3.02Å; Q247-G249 VanDerWaalsContact C-N 3.28Å; Q247-G249 PolarHBondContact O-N 3.41Å; Q247-M250 HydrophobicContact CB-CE 3.82Å; Q247-M250 WeakPolarHBondContact O-CG 3.42Å; Q247-M250 PolarHBondContact O-N 3.42Å; Q247-L251 WeakPolarHBondContact O-CG 3.39Å; Q247-L251 PolarHBondContact O-N 2.99Å; Q247-Y276 HydrophobicContact CB-CE2 4.42Å
248F88.3Confident89.3Confident0 Ų021 Ų210%011%0.111CC..Hα-helixtrans-70.8-25.4178.9-74.1-80.2000113.1I203 D243 G245 T246 L251 I252 L300 W311 I314I203-F248 HydrophobicContact CB-CE1 4.33Å; I203-F248 HydrophobicContact CB-CZ 3.7Å; I203-F248 HydrophobicContact CG1-CZ 4.47Å; I203-F248 HydrophobicContact CG2-CE1 3.64Å; I203-F248 HydrophobicContact CG2-CZ 3.53Å; D243-F248 WeakPolarHBondContact O-CE2 3.3Å; D243-F248 VanDerWaalsContact O-CZ 3.3Å; D243-F248 WeakPolarHBondContact O-CZ 3.27Å; G245-F248 PolarHBondContact O-N 3.07Å; T246-F248 PolarHBondContact O-N 3.43Å; F248-L251 HydrophobicContact CD1-CD1 4.19Å; F248-L251 PolarHBondContact O-N 3.33Å; F248-I252 WeakPolarHBondContact O-CB 3.23Å; F248-I252 VanDerWaalsContact O-CG1 3.23Å; F248-I252 WeakPolarHBondContact O-CG1 3.44Å; F248-I252 PolarHBondContact O-N 3.4Å; F248-L300 HydrophobicContact CB-CD2 3.98Å; F248-W311 AromaticContact CD1-CD1 3.42Å; F248-W311 VanDerWaalsContact CD1-CD1 3.42Å; F248-W311 AromaticContact CD1-NE1 3.87Å; F248-W311 AromaticContact CE1-CD1 3.59Å; F248-W311 AromaticContact CE1-NE1 3.65Å; F248-W311 AromaticContact CG-CD1 3.82Å; F248-W311 AromaticContact CZ-NE1 3.76Å; F248-I314 HydrophobicContact CE1-CG2 4.2Å
249G89.3Confident89Confident0 Ų022.9 Ų22.90%012%0.119CC..Hα-helixtrans-60.2-47.7175.500000112.5T246 Q247 A253 A293T246-G249 PolarHBondContact O-N 2.78Å; T246-G249 VanDerWaalsContact O-N 3.16Å; Q247-G249 VanDerWaalsContact C-N 3.28Å; Q247-G249 PolarHBondContact O-N 3.41Å; G249-A253 WeakPolarHBondContact O-CB 3.26Å; G249-A253 PolarHBondContact O-N 2.69Å; G249-A293 VanDerWaalsContact CA-O 3.31Å; G249-A293 WeakPolarHBondContact CA-O 3.1Å
250M90.8Very high88.6Confident10 Ų1027.5 Ų27.55%0.04915%0.15CC..Hα-helixtrans-68.5-35.6177.361.7175.2-177.600112.2Q247 H254 Y276 K280 F283 F289 A293Q247-M250 HydrophobicContact CB-CE 3.82Å; Q247-M250 WeakPolarHBondContact O-CG 3.42Å; Q247-M250 PolarHBondContact O-N 3.42Å; M250-H254 VanDerWaalsContact O-CB 3.24Å; M250-H254 WeakPolarHBondContact O-CB 3.31Å; M250-H254 PolarHBondContact O-N 2.9Å; M250-Y276 HydrophobicContact CE-CD2 3.82Å; M250-Y276 HydrophobicContact CE-CE2 3.19Å; M250-K280 HydrophobicContact SD-CB 4.37Å; M250-K280 HydrophobicContact SD-CD 4.16Å; M250-F283 HydrophobicContact CB-CB 4.44Å; M250-F283 HydrophobicContact CB-CD2 3.99Å; M250-F283 HydrophobicContact SD-CB 4.27Å; M250-F283 HydrophobicContact SD-CG 4.45Å; M250-F289 HydrophobicContact CB-CE1 4.06Å; M250-F289 HydrophobicContact CB-CZ 4.36Å; M250-F289 WeakPolarHBondContact O-CZ 3.43Å; M250-A293 HydrophobicContact CB-CB 4.13Å
251L91.4Very high88.2Confident0 Ų030.4 Ų30.40%017%0.166CC..Hα-helixtrans-67.1-42.7178-66.5168.3000111.6A204 Q247 F248 H254 L255 F275 Y276 I314A204-L251 HydrophobicContact CB-CD1 3.44Å; A204-L251 VanDerWaalsContact CB-CD1 3.44Å; A204-L251 HydrophobicContact CB-CD2 4.43Å; Q247-L251 WeakPolarHBondContact O-CG 3.39Å; Q247-L251 PolarHBondContact O-N 2.99Å; F248-L251 HydrophobicContact CD1-CD1 4.19Å; F248-L251 PolarHBondContact O-N 3.33Å; L251-H254 PolarHBondContact O-N 2.78Å; L251-L255 WeakPolarHBondContact O-CB 3.42Å; L251-L255 PolarHBondContact O-N 3.12Å; L251-F275 HydrophobicContact CB-CE1 4.28Å; L251-F275 HydrophobicContact CD2-CD1 3.66Å; L251-F275 HydrophobicContact CD2-CE1 3.85Å; L251-Y276 HydrophobicContact CD2-CD2 4.19Å; L251-I314 HydrophobicContact CB-CD1 3.91Å; L251-I314 HydrophobicContact CD1-CG2 4.3Å
252I91.5Very high87.7Confident0 Ų030.8 Ų30.80%017%0.167CC..Hα-helixtrans-68.3-44.9177.7-65.6165.5000110.7F248 H254 L255 Q256 C296 L300 F307 A310 W311 I314F248-I252 WeakPolarHBondContact O-CB 3.23Å; F248-I252 VanDerWaalsContact O-CG1 3.23Å; F248-I252 WeakPolarHBondContact O-CG1 3.44Å; F248-I252 PolarHBondContact O-N 3.4Å; I252-H254 VanDerWaalsContact C-N 3.26Å; I252-H254 PolarHBondContact O-N 3.09Å; I252-L255 WeakPolarHBondContact O-CB 3.44Å; I252-L255 PolarHBondContact O-N 2.67Å; I252-L255 VanDerWaalsContact O-N 3.13Å; I252-Q256 WeakPolarHBondContact O-CG 3.08Å; I252-Q256 PolarHBondContact O-N 2.75Å; I252-C296 HydrophobicContact CB-CB 4.48Å; I252-C296 HydrophobicContact CG2-CB 4.49Å; I252-L300 HydrophobicContact CD1-CB 4.49Å; I252-L300 HydrophobicContact CD1-CD1 4.25Å; I252-L300 HydrophobicContact CD1-CD2 4.01Å; I252-L300 HydrophobicContact CD1-CG 4.49Å; I252-F307 HydrophobicContact CG2-CD1 3.8Å; I252-F307 HydrophobicContact CG2-CE1 4.14Å; I252-A310 HydrophobicContact CG1-CB 4.11Å; I252-A310 HydrophobicContact CG2-CB 3.96Å; I252-W311 HydrophobicContact CD1-CB 4.32Å; I252-I314 HydrophobicContact CG1-CD1 4Å
253A91.8Very high87.3Confident0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-58.8-41.3175.600000111.3G249 Q256 D257 F289 A293G249-A253 WeakPolarHBondContact O-CB 3.26Å; G249-A253 PolarHBondContact O-N 2.69Å; A253-Q256 PolarHBondContact O-N 3.08Å; A253-D257 PolarHBondContact O-N 2.91Å; A253-F289 HydrophobicContact CB-CD2 4.28Å; A253-F289 HydrophobicContact CB-CE2 3.64Å; A253-F289 HydrophobicContact CB-CZ 3.95Å; A253-A293 HydrophobicContact CB-CB 4.5Å
254H91.9Very high86.8Confident12 Ų1239.2 Ų39.26%0.05622%0.215CC..Hα-helixtrans-67.3-37.6176.1-168.552.1000112.6M250 L251 I252 D257 K258 F275 E278 R282 F289M250-H254 VanDerWaalsContact O-CB 3.24Å; M250-H254 WeakPolarHBondContact O-CB 3.31Å; M250-H254 PolarHBondContact O-N 2.9Å; L251-H254 PolarHBondContact O-N 2.78Å; I252-H254 VanDerWaalsContact C-N 3.26Å; I252-H254 PolarHBondContact O-N 3.09Å; H254-D257 PolarHBondContact O-N 3.44Å; H254-K258 WeakPolarHBondContact O-CB 3.46Å; H254-K258 PolarHBondContact O-N 3.25Å; H254-F275 HydrophobicContact CB-CE1 4.4Å; H254-F275 HydrophobicContact CB-CZ 4.15Å; H254-F275 AromaticContact CD2-CD2 3.71Å; H254-F275 AromaticContact CD2-CE1 3.91Å; H254-F275 AromaticContact CD2-CE2 3.4Å; H254-F275 WeakPolarHBondContact CD2-CE2 3.49Å; H254-F275 AromaticContact CD2-CZ 3.51Å; H254-E278 IonicContact NE2-OE2 3.71Å; H254-E278 PolarHBondContact NE2-OE2 3.11Å; H254-R282 PolarHBondContact ND1-NH1 3.1Å; H254-F289 HydrophobicContact CB-CE2 4.27Å; H254-F289 HydrophobicContact CB-CZ 4.05Å
255L90.7Very high86.6Confident0 Ų041.5 Ų41.50%023%0.232CC..Hα-helixtrans-61.5-45.1176.5-172.774.6000111.3L251 I252 D257 K258 F259 Y262 P267 I269 F275 A310 I314L251-L255 WeakPolarHBondContact O-CB 3.42Å; L251-L255 PolarHBondContact O-N 3.12Å; I252-L255 WeakPolarHBondContact O-CB 3.44Å; I252-L255 PolarHBondContact O-N 2.67Å; I252-L255 VanDerWaalsContact O-N 3.13Å; L255-D257 VanDerWaalsContact C-N 3.3Å; L255-D257 PolarHBondContact O-N 3.28Å; L255-K258 PolarHBondContact O-N 3.09Å; L255-F259 HydrophobicContact CD1-CD2 3.99Å; L255-F259 CarbonylContact O-C 3.58Å; L255-F259 WeakPolarHBondContact O-CA 3.33Å; L255-F259 PolarHBondContact O-N 3.18Å; L255-Y262 HydrophobicContact CD2-CD2 3.98Å; L255-Y262 HydrophobicContact CD2-CG 4.09Å; L255-Y262 HydrophobicContact CG-CG 4.39Å; L255-P267 HydrophobicContact CD1-CB 4.4Å; L255-P267 HydrophobicContact CD1-CG 4.1Å; L255-I269 HydrophobicContact CD1-CD1 3.74Å; L255-I269 HydrophobicContact CD1-CG1 4.49Å; L255-F275 HydrophobicContact CB-CZ 3.98Å; L255-F275 HydrophobicContact CD1-CE2 4.42Å; L255-F275 HydrophobicContact CD1-CZ 4.04Å; L255-A310 HydrophobicContact CD2-CB 3.78Å; L255-I314 HydrophobicContact CD2-CD1 4.41Å
256Q89.9Confident86.3Confident50 Ų5045.3 Ų45.323%0.23426%0.256CS..Hα-helixtrans-60.6-39.3178.9-72.4176-27.300112.3I252 A253 P260 Y262I252-Q256 WeakPolarHBondContact O-CG 3.08Å; I252-Q256 PolarHBondContact O-N 2.75Å; A253-Q256 PolarHBondContact O-N 3.08Å; Q256-P260 WeakPolarHBondContact O-CA 3.31Å; Q256-Y262 HydrophobicContact CG-CE1 3.85Å
257D89.2Confident86.1Confident62 Ų6241.9 Ų41.933%0.33224%0.235SC..Hα-helixtrans-74.9-39.7179-68.1-19.8000112.4A253 H254 L255 R282 R292A253-D257 PolarHBondContact O-N 2.91Å; H254-D257 PolarHBondContact O-N 3.44Å; L255-D257 VanDerWaalsContact C-N 3.3Å; L255-D257 PolarHBondContact O-N 3.28Å; D257-R282 IonicContact OD2-CZ 2.7Å; D257-R282 IonicContact OD2-NH1 2.66Å; D257-R282 PolarHBondContact OD2-NH1 2.83Å; D257-R282 IonicContact OD2-NH2 2.74Å; D257-R282 PolarHBondContact OD2-NH2 3.05Å; D257-R292 IonicContact OD1-NH1 3.24Å; D257-R292 PolarHBondContact OD1-NH1 2.92Å; D257-R292 IonicContact OD2-NH1 3.41Å
258K88.1Confident85.7Confident92 Ų9244.7 Ų44.740%0.426%0.257SS..Hα-helixtrans-81.4-33.6-174.7-163.2171.2-170170.40112.6H254 L255 F275 E278H254-K258 WeakPolarHBondContact O-CB 3.46Å; H254-K258 PolarHBondContact O-N 3.25Å; L255-K258 PolarHBondContact O-N 3.09Å; K258-F275 HydrophobicContact CD-CD2 4.32Å; K258-F275 HydrophobicContact CD-CE2 4.1Å; K258-E278 IonicContact NZ-OE1 2.83Å; K258-E278 IonicContact NZ-OE2 3.31Å; K258-E278 PolarHBondContact NZ-OE2 3.5Å
259F87.9Confident84.9Confident39 Ų3945.6 Ų45.617%0.17126%0.262CS..  trans-135.378.6-179.2-56.8-73.4000109.8L255 D261 Y262 P267 P268 I269 F275L255-F259 HydrophobicContact CD1-CD2 3.99Å; L255-F259 CarbonylContact O-C 3.58Å; L255-F259 WeakPolarHBondContact O-CA 3.33Å; L255-F259 PolarHBondContact O-N 3.18Å; F259-D261 PolarHBondContact O-N 3.09Å; F259-D261 VanDerWaalsContact O-N 3.1Å; F259-Y262 WeakPolarHBondContact O-CB 3.44Å; F259-Y262 VanDerWaalsContact O-CD1 3.31Å; F259-Y262 WeakPolarHBondContact O-CD1 3.43Å; F259-Y262 PolarHBondContact O-N 3.3Å; F259-Y262 VanDerWaalsContact O-N 3.08Å; F259-P267 HydrophobicContact CB-CB 4.07Å; F259-P267 HydrophobicContact CD1-CB 4.11Å; F259-P267 HydrophobicContact CD2-CB 3.71Å; F259-P267 HydrophobicContact CE2-CB 4.11Å; F259-P267 HydrophobicContact CG-CB 3.69Å; F259-P267 HydrophobicContact CZ-CB 4.49Å; F259-P268 HydrophobicContact CE1-CG 4.03Å; F259-P268 HydrophobicContact CZ-CG 4.31Å; F259-I269 HydrophobicContact CE2-CG1 4.42Å; F259-F275 HydrophobicContact CE2-CE2 4.5Å
260P83.9Confident84Confident101 Ų10148.7 Ų48.766%0.65629%0.294SS*.THydrogen-bonded Turntrans-60.1-23.5-178.6-22.834000113.6Q256Q256-P260 WeakPolarHBondContact O-CA 3.31Å
261D85.4Confident83.3Confident77 Ų7750.6 Ų50.641%0.41230%0.304SS..THydrogen-bonded Turntrans-95.514.9-179.764.5-35.2000113.7F259 L263 T264 V265F259-D261 PolarHBondContact O-N 3.09Å; F259-D261 VanDerWaalsContact O-N 3.1Å; D261-L263 PolarHBondContact O-N 3.04Å; D261-T264 PolarHBondContact O-N 3.48Å; D261-T264 PolarHBondContact O-OG1 2.96Å; D261-V265 PolarHBondContact O-N 2.75Å
262Y83.4Confident82.7Confident10 Ų1051.5 Ų51.54%0.03931%0.309CS..THydrogen-bonded Turntrans-54.7-25.1-179.677.4-85.5000113.7L255 Q256 F259 T264 V265 D306 A310 M313L255-Y262 HydrophobicContact CD2-CD2 3.98Å; L255-Y262 HydrophobicContact CD2-CG 4.09Å; L255-Y262 HydrophobicContact CG-CG 4.39Å; Q256-Y262 HydrophobicContact CG-CE1 3.85Å; F259-Y262 WeakPolarHBondContact O-CB 3.44Å; F259-Y262 VanDerWaalsContact O-CD1 3.31Å; F259-Y262 WeakPolarHBondContact O-CD1 3.43Å; F259-Y262 PolarHBondContact O-N 3.3Å; F259-Y262 VanDerWaalsContact O-N 3.08Å; Y262-T264 VanDerWaalsContact C-N 3.3Å; Y262-V265 WeakPolarHBondContact CA-O 3.34Å; Y262-D306 PolarHBondContact OH-O 3.21Å; Y262-A310 HydrophobicContact CD2-CB 4.25Å; Y262-A310 HydrophobicContact CE2-CB 3.62Å; Y262-M313 HydrophobicContact CD2-SD 4.07Å; Y262-M313 WeakPolarHBondContact O-CE 3.41Å
263L79.7Confident82Confident59 Ų5953.3 Ų53.331%0.30932%0.317SS..THydrogen-bonded Turntrans-70-27.4176.9-67.7174.6000112.8D261 D306 K309D261-L263 PolarHBondContact O-N 3.04Å; L263-D306 HydrophobicContact CD2-CB 4.11Å; L263-K309 HydrophobicContact CD2-CD 3.93Å; L263-K309 PolarHBondContact O-NZ 3.47Å
264T79.4Confident81.6Confident122 Ų12258.4 Ų58.475%0.74834%0.342SS*.THydrogen-bonded Turntrans-108.4-33.8-176.3450000113.2D261 Y262D261-T264 PolarHBondContact O-N 3.48Å; D261-T264 PolarHBondContact O-OG1 2.96Å; Y262-T264 VanDerWaalsContact C-N 3.3Å
265V79.8Confident81.3Confident78 Ų7858.1 Ų58.147%0.47334%0.341SS..SBendtrans-121129.3-177.2-178.10000108.9D261 Y262 P267D261-V265 PolarHBondContact O-N 2.75Å; Y262-V265 WeakPolarHBondContact CA-O 3.34Å; V265-P267 VanDerWaalsContact O-CD 3.31Å; V265-P267 WeakPolarHBondContact O-CD 3.28Å
266S75.3Confident81.1Confident103 Ų10360.4 Ų60.472%0.7235%0.35SS*.  trans-63.2117.7174.7-66.40000109.9
267P75.9Confident80.9Confident19 Ų1963.1 Ų63.112%0.12336%0.361CS..  trans-69.7137.5-175.126.7-33.3000110.8L255 F259 V265 I269 M313L255-P267 HydrophobicContact CD1-CB 4.4Å; L255-P267 HydrophobicContact CD1-CG 4.1Å; F259-P267 HydrophobicContact CB-CB 4.07Å; F259-P267 HydrophobicContact CD1-CB 4.11Å; F259-P267 HydrophobicContact CD2-CB 3.71Å; F259-P267 HydrophobicContact CE2-CB 4.11Å; F259-P267 HydrophobicContact CG-CB 3.69Å; F259-P267 HydrophobicContact CZ-CB 4.49Å; V265-P267 VanDerWaalsContact O-CD 3.31Å; V265-P267 WeakPolarHBondContact O-CD 3.28Å; P267-I269 HydrophobicContact CB-CD1 4.48Å; P267-I269 HydrophobicContact CB-CG1 4.08Å; P267-I269 HydrophobicContact CG-CD1 4.05Å; P267-I269 HydrophobicContact CG-CG1 4.13Å; P267-I269 PolarHBondContact O-N 3.21Å; P267-M313 HydrophobicContact CG-SD 4.44Å
268P76.5Confident80.9Confident105 Ų10564 Ų6468%0.68236%0.363SS*.  trans-78.367.1177.133.5-36000110.7F259 G270F259-P268 HydrophobicContact CE1-CG 4.03Å; F259-P268 HydrophobicContact CZ-CG 4.31Å; P268-G270 PolarHBondContact O-N 3.48Å
269I71.8Confident81Confident18 Ų1859.6 Ų59.69%0.09234%0.344CS..  trans-75.697.3173.8-51.8174.9000107.2L255 F259 P267 L272 F275 V317L255-I269 HydrophobicContact CD1-CD1 3.74Å; L255-I269 HydrophobicContact CD1-CG1 4.49Å; F259-I269 HydrophobicContact CE2-CG1 4.42Å; P267-I269 HydrophobicContact CB-CD1 4.48Å; P267-I269 HydrophobicContact CB-CG1 4.08Å; P267-I269 HydrophobicContact CG-CD1 4.05Å; P267-I269 HydrophobicContact CG-CG1 4.13Å; P267-I269 PolarHBondContact O-N 3.21Å; I269-L272 HydrophobicContact CG2-CD1 3.95Å; I269-L272 HydrophobicContact CG2-CG 4.11Å; I269-F275 HydrophobicContact CG2-CB 4.48Å; I269-F275 HydrophobicContact CG2-CG 4.48Å; I269-V317 HydrophobicContact CB-CG2 4.13Å; I269-V317 HydrophobicContact CD1-CG2 4.44Å; I269-V317 HydrophobicContact CG2-CG1 4.43Å
270G69.3Low81Confident65 Ų6561.1 Ų61.167%0.6735%0.35SS*.  trans-76.3-68.8178.100000112P268P268-G270 PolarHBondContact O-N 3.48Å
271D76.4Confident81.4Confident51 Ų5162.1 Ų62.127%0.27335%0.345SS..  trans-105.8106.8-178.2-173.5-25.9000110.5Q273 M274 F275D271-Q273 VanDerWaalsContact C-N 3.27Å; D271-Q273 PolarHBondContact O-N 3.11Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.34Å; D271-Q273 VanDerWaalsContact OD1-CB 3.25Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.18Å; D271-Q273 PolarHBondContact OD1-N 2.84Å; D271-M274 HydrophobicContact CB-CB 4.16Å; D271-M274 HydrophobicContact CB-CE 3.61Å; D271-M274 HydrophobicContact CB-CG 4.24Å; D271-M274 PolarHBondContact O-N 3.34Å; D271-M274 PolarHBondContact OD1-N 2.97Å; D271-M274 VanDerWaalsContact OD1-N 3.1Å; D271-F275 PolarHBondContact O-N 3.04Å; D271-F275 VanDerWaalsContact O-N 3.1Å
272L79.1Confident81.7Confident18 Ų1861.7 Ų61.79%0.09434%0.337CS..Hα-helixtrans-72.9-21.1-177.5-136.2133.5000112.8A204 I269 Y276 I314 V317A204-L272 HydrophobicContact CB-CD2 3.23Å; I269-L272 HydrophobicContact CG2-CD1 3.95Å; I269-L272 HydrophobicContact CG2-CG 4.11Å; L272-Y276 WeakPolarHBondContact O-CB 3.4Å; L272-Y276 PolarHBondContact O-N 3.15Å; L272-I314 HydrophobicContact CD2-CG2 4.16Å; L272-V317 HydrophobicContact CD1-CB 3.37Å; L272-V317 HydrophobicContact CD1-CG1 3.35Å; L272-V317 HydrophobicContact CD1-CG2 4.26Å
273Q77.6Confident82Confident38 Ų3862.8 Ų62.818%0.17834%0.342CS..Hα-helixtrans-72.8-43.3173.9-164.2-16358.600111E206 D271 F275 Y276 K277E206-Q273 VanDerWaalsContact CD-NE2 3.3Å; E206-Q273 HydrophobicContact CG-CB 3.87Å; E206-Q273 HydrophobicContact CG-CG 4.04Å; E206-Q273 VanDerWaalsContact OE2-CD 3.24Å; E206-Q273 PolarHBondContact OE2-NE2 3.32Å; D271-Q273 VanDerWaalsContact C-N 3.27Å; D271-Q273 PolarHBondContact O-N 3.11Å; D271-Q273 WeakPolarHBondContact OD1-CA 3.34Å; D271-Q273 VanDerWaalsContact OD1-CB 3.25Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.18Å; D271-Q273 PolarHBondContact OD1-N 2.84Å; Q273-F275 VanDerWaalsContact C-N 3.31Å; Q273-Y276 PolarHBondContact O-N 3.28Å; Q273-K277 HydrophobicContact CG-CD 4.4Å; Q273-K277 WeakPolarHBondContact O-CB 3.45Å; Q273-K277 WeakPolarHBondContact O-CG 3.39Å; Q273-K277 PolarHBondContact O-N 3.06Å
274M82.6Confident82.5Confident107 Ų10764.6 Ų64.653%0.52735%0.352SS..Hα-helixtrans-60.8-44.7172.6-76.1-158.3-6900110.6D271 Y276 K277 E278D271-M274 HydrophobicContact CB-CB 4.16Å; D271-M274 HydrophobicContact CB-CE 3.61Å; D271-M274 HydrophobicContact CB-CG 4.24Å; D271-M274 PolarHBondContact O-N 3.34Å; D271-M274 PolarHBondContact OD1-N 2.97Å; D271-M274 VanDerWaalsContact OD1-N 3.1Å; M274-Y276 VanDerWaalsContact C-N 3.31Å; M274-Y276 PolarHBondContact O-N 3.07Å; M274-K277 PolarHBondContact O-N 3.13Å; M274-E278 WeakPolarHBondContact O-CB 3.44Å; M274-E278 WeakPolarHBondContact O-CG 3.27Å; M274-E278 PolarHBondContact O-N 3.3Å
275F86.4Confident83.2Confident6 Ų665.5 Ų65.53%0.02635%0.348CS..Hα-helixtrans-58.5-42.1175.6-169.7-90.9000112.2L251 H254 L255 K258 F259 I269 D271 Q273 S279L251-F275 HydrophobicContact CB-CE1 4.28Å; L251-F275 HydrophobicContact CD2-CD1 3.66Å; L251-F275 HydrophobicContact CD2-CE1 3.85Å; H254-F275 HydrophobicContact CB-CE1 4.4Å; H254-F275 HydrophobicContact CB-CZ 4.15Å; H254-F275 AromaticContact CD2-CD2 3.71Å; H254-F275 AromaticContact CD2-CE1 3.91Å; H254-F275 AromaticContact CD2-CE2 3.4Å; H254-F275 WeakPolarHBondContact CD2-CE2 3.49Å; H254-F275 AromaticContact CD2-CZ 3.51Å; L255-F275 HydrophobicContact CB-CZ 3.98Å; L255-F275 HydrophobicContact CD1-CE2 4.42Å; L255-F275 HydrophobicContact CD1-CZ 4.04Å; K258-F275 HydrophobicContact CD-CD2 4.32Å; K258-F275 HydrophobicContact CD-CE2 4.1Å; F259-F275 HydrophobicContact CE2-CE2 4.5Å; I269-F275 HydrophobicContact CG2-CB 4.48Å; I269-F275 HydrophobicContact CG2-CG 4.48Å; D271-F275 PolarHBondContact O-N 3.04Å; D271-F275 VanDerWaalsContact O-N 3.1Å; Q273-F275 VanDerWaalsContact C-N 3.31Å; F275-S279 WeakPolarHBondContact O-CB 3.47Å; F275-S279 PolarHBondContact O-N 3.31Å; F275-S279 PolarHBondContact O-OG 3.04Å
276Y85.6Confident83.8Confident49 Ų4964.4 Ų64.419%0.19234%0.34CS..Hα-helixtrans-63.2-48.4173.8178.6-87.1000112A204 Q247 M250 L251 L272 Q273 M274 E278 S279 K280A204-Y276 HydrophobicContact CB-CD2 4.36Å; Q247-Y276 HydrophobicContact CB-CE2 4.42Å; M250-Y276 HydrophobicContact CE-CD2 3.82Å; M250-Y276 HydrophobicContact CE-CE2 3.19Å; L251-Y276 HydrophobicContact CD2-CD2 4.19Å; L272-Y276 WeakPolarHBondContact O-CB 3.4Å; L272-Y276 PolarHBondContact O-N 3.15Å; Q273-Y276 PolarHBondContact O-N 3.28Å; M274-Y276 VanDerWaalsContact C-N 3.31Å; M274-Y276 PolarHBondContact O-N 3.07Å; Y276-E278 VanDerWaalsContact C-N 3.34Å; Y276-E278 PolarHBondContact O-N 3.32Å; Y276-S279 PolarHBondContact O-N 3.22Å; Y276-S279 PolarHBondContact O-OG 3.14Å; Y276-K280 HydrophobicContact CE1-CB 4.37Å; Y276-K280 WeakPolarHBondContact O-CB 3.21Å; Y276-K280 PolarHBondContact O-N 2.88Å
277K86.7Confident84.6Confident107 Ų10764.7 Ų64.747%0.46533%0.33SS..Hα-helixtrans-61-42179.5-74.8171.1175.8168.30111.7Q273 M274 K280 K281Q273-K277 HydrophobicContact CG-CD 4.4Å; Q273-K277 WeakPolarHBondContact O-CB 3.45Å; Q273-K277 WeakPolarHBondContact O-CG 3.39Å; Q273-K277 PolarHBondContact O-N 3.06Å; M274-K277 PolarHBondContact O-N 3.13Å; K277-K280 PolarHBondContact O-N 3.2Å; K277-K281 WeakPolarHBondContact O-CB 3.46Å; K277-K281 PolarHBondContact O-N 3.42Å
278E88.8Confident85.4Confident80 Ų8069.9 Ų69.937%0.37435%0.352SS..Hα-helixtrans-61.2-49174-73.7176.5179.100111.3H254 K258 M274 Y276 K280 K281 R282H254-E278 IonicContact NE2-OE2 3.71Å; H254-E278 PolarHBondContact NE2-OE2 3.11Å; K258-E278 IonicContact NZ-OE1 2.83Å; K258-E278 IonicContact NZ-OE2 3.31Å; K258-E278 PolarHBondContact NZ-OE2 3.5Å; M274-E278 WeakPolarHBondContact O-CB 3.44Å; M274-E278 WeakPolarHBondContact O-CG 3.27Å; M274-E278 PolarHBondContact O-N 3.3Å; Y276-E278 VanDerWaalsContact C-N 3.34Å; Y276-E278 PolarHBondContact O-N 3.32Å; E278-K280 VanDerWaalsContact C-N 3.31Å; E278-K280 PolarHBondContact O-N 3.41Å; E278-K281 PolarHBondContact O-N 3.38Å; E278-R282 WeakPolarHBondContact O-CG 3.28Å; E278-R282 PolarHBondContact O-N 2.92Å; E278-R282 VanDerWaalsContact O-N 3.11Å
279S89.6Confident86.1Confident0 Ų064.9 Ų64.90%032%0.32CS..Hα-helixtrans-62.3-38.417874.40000112.5F275 Y276 R282 F283F275-S279 WeakPolarHBondContact O-CB 3.47Å; F275-S279 PolarHBondContact O-N 3.31Å; F275-S279 PolarHBondContact O-OG 3.04Å; Y276-S279 PolarHBondContact O-N 3.22Å; Y276-S279 PolarHBondContact O-OG 3.14Å; S279-R282 PolarHBondContact O-N 2.92Å; S279-F283 WeakPolarHBondContact O-CB 3.44Å; S279-F283 PolarHBondContact O-N 2.85Å
280K88.9Confident87Confident70 Ų7066.8 Ų66.830%0.30433%0.327SS..Hα-helixtrans-69.2-42.2179.7-177.754.3178.1151.60111.6M250 Y276 K277 E278 R282 F283 D284M250-K280 HydrophobicContact SD-CB 4.37Å; M250-K280 HydrophobicContact SD-CD 4.16Å; Y276-K280 HydrophobicContact CE1-CB 4.37Å; Y276-K280 WeakPolarHBondContact O-CB 3.21Å; Y276-K280 PolarHBondContact O-N 2.88Å; K277-K280 PolarHBondContact O-N 3.2Å; E278-K280 VanDerWaalsContact C-N 3.31Å; E278-K280 PolarHBondContact O-N 3.41Å; K280-R282 VanDerWaalsContact C-N 3.33Å; K280-R282 PolarHBondContact O-N 3.2Å; K280-F283 WeakPolarHBondContact O-CB 3.38Å; K280-F283 PolarHBondContact O-N 2.83Å; K280-D284 WeakPolarHBondContact CE-OD2 3.33Å; K280-D284 IonicContact NZ-OD1 3.59Å; K280-D284 PolarHBondContact NZ-OD1 2.98Å; K280-D284 IonicContact NZ-OD2 2.8Å; K280-D284 PolarHBondContact NZ-OD2 3.43Å; K280-D284 PolarHBondContact O-N 3.35Å
281K91.8Very high88.1Confident123 Ų12370.3 Ų70.354%0.53532%0.324SS..Hα-helixtrans-57.9-46.5173.9-175179.2178.2-176.40111.2K277 E278 F283 D284 E285K277-K281 WeakPolarHBondContact O-CB 3.46Å; K277-K281 PolarHBondContact O-N 3.42Å; E278-K281 PolarHBondContact O-N 3.38Å; K281-F283 VanDerWaalsContact C-N 3.34Å; K281-F283 PolarHBondContact O-N 3.45Å; K281-D284 PolarHBondContact O-N 2.88Å; K281-E285 VanDerWaalsContact CE-CD 3.44Å; K281-E285 WeakPolarHBondContact CE-OE1 3.49Å; K281-E285 WeakPolarHBondContact CE-OE2 3.36Å; K281-E285 HydrophobicContact CG-CG 4.45Å; K281-E285 WeakPolarHBondContact O-CB 3.05Å; K281-E285 WeakPolarHBondContact O-CG 3.38Å; K281-E285 PolarHBondContact O-N 3.34Å
282R91.4Very high88.7Confident68 Ų6871.1 Ų71.126%0.25732%0.323SS..Hα-helixtrans-63.7-38.6175.8-67.4-173.867.9-159.1-13112.5H254 D257 E278 S279 K280 D284 E285 D286 F289H254-R282 PolarHBondContact ND1-NH1 3.1Å; D257-R282 IonicContact OD2-CZ 2.7Å; D257-R282 IonicContact OD2-NH1 2.66Å; D257-R282 PolarHBondContact OD2-NH1 2.83Å; D257-R282 IonicContact OD2-NH2 2.74Å; D257-R282 PolarHBondContact OD2-NH2 3.05Å; E278-R282 WeakPolarHBondContact O-CG 3.28Å; E278-R282 PolarHBondContact O-N 2.92Å; E278-R282 VanDerWaalsContact O-N 3.11Å; S279-R282 PolarHBondContact O-N 2.92Å; K280-R282 VanDerWaalsContact C-N 3.33Å; K280-R282 PolarHBondContact O-N 3.2Å; R282-D284 VanDerWaalsContact C-N 3.28Å; R282-D284 PolarHBondContact O-N 2.97Å; R282-E285 PolarHBondContact O-N 3.5Å; R282-D286 WeakPolarHBondContact O-CA 3.4Å; R282-D286 WeakPolarHBondContact O-CB 3.25Å; R282-D286 PolarHBondContact O-N 3.4Å; R282-F289 HydrophobicContact CB-CD1 3.81Å; R282-F289 HydrophobicContact CB-CD2 4.49Å; R282-F289 HydrophobicContact CB-CE1 3.85Å; R282-F289 HydrophobicContact CB-CG 4.14Å; R282-F289 HydrophobicContact CB-CZ 4.2Å; R282-F289 VanDerWaalsContact NH2-CD2 3.35Å
283F90.2Very high89.3Confident32 Ų3270.4 Ų70.414%0.1432%0.32CS..Hα-helixtrans-61.7-35.1175.8-172.1-89000113.4M250 S279 K280 K281 F289 K290 A293 Y294M250-F283 HydrophobicContact CB-CB 4.44Å; M250-F283 HydrophobicContact CB-CD2 3.99Å; M250-F283 HydrophobicContact SD-CB 4.27Å; M250-F283 HydrophobicContact SD-CG 4.45Å; S279-F283 WeakPolarHBondContact O-CB 3.44Å; S279-F283 PolarHBondContact O-N 2.85Å; K280-F283 WeakPolarHBondContact O-CB 3.38Å; K280-F283 PolarHBondContact O-N 2.83Å; K281-F283 VanDerWaalsContact C-N 3.34Å; K281-F283 PolarHBondContact O-N 3.45Å; F283-F289 HydrophobicContact CB-CD1 4.29Å; F283-F289 HydrophobicContact CB-CE1 4.09Å; F283-K290 HydrophobicContact CD2-CB 4.41Å; F283-K290 HydrophobicContact CD2-CG 4.25Å; F283-K290 HydrophobicContact CE1-CD 4.5Å; F283-K290 HydrophobicContact CE1-CG 4.25Å; F283-K290 HydrophobicContact CE2-CB 4.4Å; F283-K290 HydrophobicContact CE2-CG 3.83Å; F283-K290 HydrophobicContact CZ-CG 3.84Å; F283-A293 HydrophobicContact CD2-CB 3.88Å; F283-A293 HydrophobicContact CE2-CB 3.92Å; F283-Y294 HydrophobicContact CE2-CE2 4.43Å; F283-Y294 HydrophobicContact CZ-CE2 4.12Å; F283-Y294 AromaticContact CZ-CZ 3.95Å
284D89.9Confident89.7Confident98 Ų9874.6 Ų74.652%0.52434%0.335SS..Hα-helixtrans-85.4-29.6-178.4-64-27.1000112.6K280 K281 R282K280-D284 WeakPolarHBondContact CE-OD2 3.33Å; K280-D284 IonicContact NZ-OD1 3.59Å; K280-D284 PolarHBondContact NZ-OD1 2.98Å; K280-D284 IonicContact NZ-OD2 2.8Å; K280-D284 PolarHBondContact NZ-OD2 3.43Å; K280-D284 PolarHBondContact O-N 3.35Å; K281-D284 PolarHBondContact O-N 2.88Å; R282-D284 VanDerWaalsContact C-N 3.28Å; R282-D284 PolarHBondContact O-N 2.97Å
285E92.9Very high90Very high140 Ų14074.7 Ų74.765%0.65433%0.334SS*.Hα-helixtrans-97.2-28.1-176.1-67.1175.1177.700114.5K281 R282K281-E285 VanDerWaalsContact CE-CD 3.44Å; K281-E285 WeakPolarHBondContact CE-OE1 3.49Å; K281-E285 WeakPolarHBondContact CE-OE2 3.36Å; K281-E285 HydrophobicContact CG-CG 4.45Å; K281-E285 WeakPolarHBondContact O-CB 3.05Å; K281-E285 WeakPolarHBondContact O-CG 3.38Å; K281-E285 PolarHBondContact O-N 3.34Å; R282-E285 PolarHBondContact O-N 3.5Å
286D92.6Very high90.1Very high56 Ų5674.6 Ų74.630%0.29933%0.334SS..  trans-115.7105.7-172.8178.8-6.4000111.5R282 E288 F289 K290R282-D286 WeakPolarHBondContact O-CA 3.4Å; R282-D286 WeakPolarHBondContact O-CB 3.25Å; R282-D286 PolarHBondContact O-N 3.4Å; D286-E288 VanDerWaalsContact C-N 3.3Å; D286-E288 PolarHBondContact O-N 3.12Å; D286-E288 WeakPolarHBondContact OD1-CA 3.35Å; D286-E288 WeakPolarHBondContact OD1-CB 3.34Å; D286-E288 PolarHBondContact OD1-N 3.38Å; D286-F289 HydrophobicContact CB-CB 3.78Å; D286-F289 VanDerWaalsContact CG-CB 3.43Å; D286-F289 PolarHBondContact O-N 2.95Å; D286-F289 PolarHBondContact OD1-N 2.85Å; D286-F289 WeakPolarHBondContact OD2-CB 3.38Å; D286-K290 WeakPolarHBondContact O-CB 3.34Å; D286-K290 PolarHBondContact O-N 3.05Å
287E92Very high90.2Very high109 Ų10972.9 Ų72.951%0.50933%0.329SS..Hα-helixtrans-66.7-26.7179.4-77.8-65.9146.500113.4K290 K291E287-K290 IonicContact OE1-NZ 3.56Å; E287-K290 PolarHBondContact OE1-NZ 3.01Å; E287-K290 IonicContact OE2-NZ 3.94Å; E287-K291 WeakPolarHBondContact O-CG 3.44Å; E287-K291 PolarHBondContact O-N 3.14Å
288E92.6Very high90.1Very high128 Ų12871.9 Ų71.960%0.59833%0.331SS*.Hα-helixtrans-73.5-44.8174.8-160.5-160.2127.800110.3D286 K290 K291 R292D286-E288 VanDerWaalsContact C-N 3.3Å; D286-E288 PolarHBondContact O-N 3.12Å; D286-E288 WeakPolarHBondContact OD1-CA 3.35Å; D286-E288 WeakPolarHBondContact OD1-CB 3.34Å; D286-E288 PolarHBondContact OD1-N 3.38Å; E288-K290 VanDerWaalsContact C-N 3.3Å; E288-K290 PolarHBondContact O-N 2.84Å; E288-K291 PolarHBondContact O-N 3.06Å; E288-R292 PolarHBondContact O-N 3.43Å; E288-R292 IonicContact OE1-CZ 3.15Å; E288-R292 IonicContact OE1-NH2 3.78Å; E288-R292 PolarHBondContact OE1-NH2 2.84Å
289F92.4Very high90.1Very high0 Ų073.2 Ų73.20%033%0.333CS..Hα-helixtrans-60.2-41.1174.1179.4-94000111.8M250 A253 H254 R282 F283 D286 R292 A293M250-F289 HydrophobicContact CB-CE1 4.06Å; M250-F289 HydrophobicContact CB-CZ 4.36Å; M250-F289 WeakPolarHBondContact O-CZ 3.43Å; A253-F289 HydrophobicContact CB-CD2 4.28Å; A253-F289 HydrophobicContact CB-CE2 3.64Å; A253-F289 HydrophobicContact CB-CZ 3.95Å; H254-F289 HydrophobicContact CB-CE2 4.27Å; H254-F289 HydrophobicContact CB-CZ 4.05Å; R282-F289 HydrophobicContact CB-CD1 3.81Å; R282-F289 HydrophobicContact CB-CD2 4.49Å; R282-F289 HydrophobicContact CB-CE1 3.85Å; R282-F289 HydrophobicContact CB-CG 4.14Å; R282-F289 HydrophobicContact CB-CZ 4.2Å; R282-F289 VanDerWaalsContact NH2-CD2 3.35Å; F283-F289 HydrophobicContact CB-CD1 4.29Å; F283-F289 HydrophobicContact CB-CE1 4.09Å; D286-F289 HydrophobicContact CB-CB 3.78Å; D286-F289 VanDerWaalsContact CG-CB 3.43Å; D286-F289 PolarHBondContact O-N 2.95Å; D286-F289 PolarHBondContact OD1-N 2.85Å; D286-F289 WeakPolarHBondContact OD2-CB 3.38Å; F289-R292 CarbonylContact O-C 3.51Å; F289-R292 WeakPolarHBondContact O-CB 3.04Å; F289-R292 PolarHBondContact O-N 3.47Å; F289-A293 WeakPolarHBondContact O-CB 3.35Å; F289-A293 PolarHBondContact O-N 3.25Å
290K91.1Very high90Very high57 Ų5773.4 Ų73.425%0.24833%0.334CS..Hα-helixtrans-60.8-45176.4-176.7175.7174.5-173.80112.6F283 D286 E287 E288 R292 A293 Y294F283-K290 HydrophobicContact CD2-CB 4.41Å; F283-K290 HydrophobicContact CD2-CG 4.25Å; F283-K290 HydrophobicContact CE1-CD 4.5Å; F283-K290 HydrophobicContact CE1-CG 4.25Å; F283-K290 HydrophobicContact CE2-CB 4.4Å; F283-K290 HydrophobicContact CE2-CG 3.83Å; F283-K290 HydrophobicContact CZ-CG 3.84Å; D286-K290 WeakPolarHBondContact O-CB 3.34Å; D286-K290 PolarHBondContact O-N 3.05Å; E287-K290 IonicContact OE1-NZ 3.56Å; E287-K290 PolarHBondContact OE1-NZ 3.01Å; E287-K290 IonicContact OE2-NZ 3.94Å; E288-K290 VanDerWaalsContact C-N 3.3Å; E288-K290 PolarHBondContact O-N 2.84Å; K290-R292 VanDerWaalsContact C-N 3.32Å; K290-R292 PolarHBondContact O-N 2.95Å; K290-A293 PolarHBondContact O-N 3.32Å; K290-Y294 HydrophobicContact CG-CD2 4.28Å; K290-Y294 HydrophobicContact CG-CE2 3.83Å; K290-Y294 WeakPolarHBondContact O-CD2 3.35Å; K290-Y294 PolarHBondContact O-N 3.01Å; K290-Y294 VanDerWaalsContact O-N 3.13Å
291K90.9Very high89.7Confident139 Ų13974.6 Ų74.660%0.60434%0.34SS*.Hα-helixtrans-60.5-43.2173.3-74.6176.5-176.3176.20111.5E287 E288 Y294 Q295E287-K291 WeakPolarHBondContact O-CG 3.44Å; E287-K291 PolarHBondContact O-N 3.14Å; E288-K291 PolarHBondContact O-N 3.06Å; K291-Y294 PolarHBondContact O-N 3.42Å; K291-Q295 WeakPolarHBondContact O-CG 3.29Å; K291-Q295 PolarHBondContact O-N 2.9Å; K291-Q295 VanDerWaalsContact O-N 3.1Å
292R90.4Very high89.4Confident69 Ų6972.5 Ų72.526%0.2634%0.341SS..Hα-helixtrans-63.3-43.3177.7-145.3-174.2-57.9164.70111.5D257 E288 F289 K290 Y294 Q295 C296D257-R292 IonicContact OD1-NH1 3.24Å; D257-R292 PolarHBondContact OD1-NH1 2.92Å; D257-R292 IonicContact OD2-NH1 3.41Å; E288-R292 PolarHBondContact O-N 3.43Å; E288-R292 IonicContact OE1-CZ 3.15Å; E288-R292 IonicContact OE1-NH2 3.78Å; E288-R292 PolarHBondContact OE1-NH2 2.84Å; F289-R292 CarbonylContact O-C 3.51Å; F289-R292 WeakPolarHBondContact O-CB 3.04Å; F289-R292 PolarHBondContact O-N 3.47Å; K290-R292 VanDerWaalsContact C-N 3.32Å; K290-R292 PolarHBondContact O-N 2.95Å; R292-Y294 PolarHBondContact O-N 3.23Å; R292-Q295 CarbonylContact O-C 3.59Å; R292-Q295 WeakPolarHBondContact O-CB 3.49Å; R292-Q295 PolarHBondContact O-N 2.78Å; R292-Q295 VanDerWaalsContact O-N 3.11Å; R292-C296 PolarHBondContact O-N 3.35Å; R292-C296 PolarHBondContact O-SG 3.15Å
293A90.8Very high89.2Confident2 Ų274.8 Ų74.82%0.01735%0.353CS..Hα-helixtrans-58.2-44.9176.800000111.9G249 M250 A253 F283 F289 K290 C296 V297G249-A293 VanDerWaalsContact CA-O 3.31Å; G249-A293 WeakPolarHBondContact CA-O 3.1Å; M250-A293 HydrophobicContact CB-CB 4.13Å; A253-A293 HydrophobicContact CB-CB 4.5Å; F283-A293 HydrophobicContact CD2-CB 3.88Å; F283-A293 HydrophobicContact CE2-CB 3.92Å; F289-A293 WeakPolarHBondContact O-CB 3.35Å; F289-A293 PolarHBondContact O-N 3.25Å; K290-A293 PolarHBondContact O-N 3.32Å; A293-C296 WeakPolarHBondContact O-CB 3.39Å; A293-C296 PolarHBondContact O-N 3.14Å; A293-V297 WeakPolarHBondContact O-CG2 3.01Å; A293-V297 PolarHBondContact O-N 2.92Å; A293-V297 VanDerWaalsContact O-N 3.12Å
294Y87Confident89.2Confident127 Ų12776.7 Ų76.750%0.49836%0.362SS..Hα-helixtrans-62.1-42174-74.7-62.3000112.5F283 K290 K291 R292 C296 V297 V298F283-Y294 HydrophobicContact CE2-CE2 4.43Å; F283-Y294 HydrophobicContact CZ-CE2 4.12Å; F283-Y294 AromaticContact CZ-CZ 3.95Å; K290-Y294 HydrophobicContact CG-CD2 4.28Å; K290-Y294 HydrophobicContact CG-CE2 3.83Å; K290-Y294 WeakPolarHBondContact O-CD2 3.35Å; K290-Y294 PolarHBondContact O-N 3.01Å; K290-Y294 VanDerWaalsContact O-N 3.13Å; K291-Y294 PolarHBondContact O-N 3.42Å; R292-Y294 PolarHBondContact O-N 3.23Å; Y294-C296 VanDerWaalsContact C-N 3.33Å; Y294-C296 PolarHBondContact O-N 3.26Å; Y294-V297 WeakPolarHBondContact O-CB 3.35Å; Y294-V297 PolarHBondContact O-N 2.9Å; Y294-V298 PolarHBondContact O-N 2.97Å
295Q88.4Confident89.3Confident109 Ų10977 Ų7751%0.50937%0.37SS..Hα-helixtrans-61.2-41.7174.5-69174-3.300111.5K291 R292 V297 V298 R299K291-Q295 WeakPolarHBondContact O-CG 3.29Å; K291-Q295 PolarHBondContact O-N 2.9Å; K291-Q295 VanDerWaalsContact O-N 3.1Å; R292-Q295 CarbonylContact O-C 3.59Å; R292-Q295 WeakPolarHBondContact O-CB 3.49Å; R292-Q295 PolarHBondContact O-N 2.78Å; R292-Q295 VanDerWaalsContact O-N 3.11Å; Q295-V297 VanDerWaalsContact C-N 3.3Å; Q295-V297 PolarHBondContact O-N 3.02Å; Q295-V298 PolarHBondContact O-N 3.04Å; Q295-R299 WeakPolarHBondContact O-CG 3.45Å; Q295-R299 PolarHBondContact O-N 3.17Å
296C89.1Confident89.1Confident4 Ų474.4 Ų74.43%0.02736%0.36CS..Hα-helixtrans-60-37.7176.1-62.50000112.3I252 R292 A293 Y294 R299 L300 F307I252-C296 HydrophobicContact CB-CB 4.48Å; I252-C296 HydrophobicContact CG2-CB 4.49Å; R292-C296 PolarHBondContact O-N 3.35Å; R292-C296 PolarHBondContact O-SG 3.15Å; A293-C296 WeakPolarHBondContact O-CB 3.39Å; A293-C296 PolarHBondContact O-N 3.14Å; Y294-C296 VanDerWaalsContact C-N 3.33Å; Y294-C296 PolarHBondContact O-N 3.26Å; C296-R299 PolarHBondContact O-N 3.27Å; C296-L300 VanDerWaalsContact O-CB 3.32Å; C296-L300 WeakPolarHBondContact O-CB 3.08Å; C296-L300 PolarHBondContact O-N 2.86Å; C296-F307 HydrophobicContact CB-CD1 4.35Å; C296-F307 HydrophobicContact CB-CE1 4.12Å
297V87.1Confident89Confident13 Ų1372.2 Ų72.28%0.07935%0.348CS..Hα-helixtrans-61.1-47.2174.4-1800000110.9A293 Y294 Q295 R299 L300 Q301A293-V297 WeakPolarHBondContact O-CG2 3.01Å; A293-V297 PolarHBondContact O-N 2.92Å; A293-V297 VanDerWaalsContact O-N 3.12Å; Y294-V297 WeakPolarHBondContact O-CB 3.35Å; Y294-V297 PolarHBondContact O-N 2.9Å; Q295-V297 VanDerWaalsContact C-N 3.3Å; Q295-V297 PolarHBondContact O-N 3.02Å; V297-R299 VanDerWaalsContact C-N 3.34Å; V297-R299 PolarHBondContact O-N 2.9Å; V297-L300 WeakPolarHBondContact O-CB 3.35Å; V297-L300 PolarHBondContact O-N 2.98Å; V297-Q301 HydrophobicContact CG1-CG 4.39Å; V297-Q301 WeakPolarHBondContact O-CG 3.49Å; V297-Q301 PolarHBondContact O-N 2.83Å
298V85Confident88.9Confident85 Ų8569.1 Ų69.152%0.51533%0.334SS..Hα-helixtrans-63.2-41.8-179.31770000111.1Y294 Q295 Q301 S302Y294-V298 PolarHBondContact O-N 2.97Å; Q295-V298 PolarHBondContact O-N 3.04Å; V298-Q301 PolarHBondContact O-N 2.91Å; V298-S302 WeakPolarHBondContact O-CB 3.37Å; V298-S302 PolarHBondContact O-N 3.36Å; V298-S302 PolarHBondContact O-OG 3.43Å
299R87.6Confident88.7Confident109 Ų10967.3 Ų67.341%0.41133%0.325SS..Hα-helixtrans-66.4-37.8176.8-65.5-170-176.9-171.63.4112.5Q295 C296 V297 S302 K303 E304 F307Q295-R299 WeakPolarHBondContact O-CG 3.45Å; Q295-R299 PolarHBondContact O-N 3.17Å; C296-R299 PolarHBondContact O-N 3.27Å; V297-R299 VanDerWaalsContact C-N 3.34Å; V297-R299 PolarHBondContact O-N 2.9Å; R299-S302 PolarHBondContact O-N 3.09Å; R299-K303 PolarHBondContact O-N 3Å; R299-E304 HydrophobicContact CB-CG 4.43Å; R299-E304 WeakPolarHBondContact CB-OE1 3.27Å; R299-E304 WeakPolarHBondContact CG-OE1 3.37Å; R299-E304 PolarHBondContact O-N 3Å; R299-F307 HydrophobicContact CB-CD1 4.06Å; R299-F307 HydrophobicContact CB-CD2 3.85Å; R299-F307 HydrophobicContact CB-CE1 4.2Å; R299-F307 HydrophobicContact CB-CE2 3.96Å; R299-F307 HydrophobicContact CB-CG 3.92Å; R299-F307 HydrophobicContact CB-CZ 4.15Å; R299-F307 VanDerWaalsContact CD-CE2 3.4Å; R299-F307 HydrophobicContact CG-CE2 4.34Å; R299-F307 HydrophobicContact CG-CZ 4.39Å
300L87.7Confident88.6Confident3 Ų367.3 Ų67.32%0.01633%0.325CS..Hα-helixtrans-63.2-46.2172.8-178.966.4000111.5W244 F248 I252 C296 V297 S302 K303 F307 I308 W311W244-L300 HydrophobicContact CH2-CD2 4.5Å; W244-L300 HydrophobicContact CH2-CG 4.05Å; W244-L300 HydrophobicContact CZ3-CD2 4.29Å; W244-L300 HydrophobicContact CZ3-CG 4.16Å; F248-L300 HydrophobicContact CB-CD2 3.98Å; I252-L300 HydrophobicContact CD1-CB 4.49Å; I252-L300 HydrophobicContact CD1-CD1 4.25Å; I252-L300 HydrophobicContact CD1-CD2 4.01Å; I252-L300 HydrophobicContact CD1-CG 4.49Å; C296-L300 VanDerWaalsContact O-CB 3.32Å; C296-L300 WeakPolarHBondContact O-CB 3.08Å; C296-L300 PolarHBondContact O-N 2.86Å; V297-L300 WeakPolarHBondContact O-CB 3.35Å; V297-L300 PolarHBondContact O-N 2.98Å; L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 3.36Å; L300-K303 WeakPolarHBondContact O-CA 3.39Å; L300-K303 PolarHBondContact O-N 2.9Å; L300-F307 HydrophobicContact CD1-CB 4.48Å; L300-I308 HydrophobicContact CD1-CD1 3.76Å; L300-I308 HydrophobicContact CD1-CG1 4.38Å; L300-W311 HydrophobicContact CD1-CB 3.64Å; L300-W311 HydrophobicContact CD1-CG 3.98Å; L300-W311 HydrophobicContact CD2-CG 4.35Å
301Q83.2Confident88.6Confident96 Ų9665.6 Ų65.645%0.44932%0.317SS..Hα-helixtrans-63.4-32.6176.2-72.7175-11.300112.4W244 V297 V298 K303W244-Q301 HydrophobicContact CZ2-CB 4.43Å; W244-Q301 HydrophobicContact CZ2-CG 3.79Å; V297-Q301 HydrophobicContact CG1-CG 4.39Å; V297-Q301 WeakPolarHBondContact O-CG 3.49Å; V297-Q301 PolarHBondContact O-N 2.83Å; V298-Q301 PolarHBondContact O-N 2.91Å; Q301-K303 PolarHBondContact O-N 2.89Å
302S85Confident88.6Confident78 Ų7861.7 Ų61.755%0.54530%0.302SS..THydrogen-bonded Turntrans-74.2-0.7173.8-56.10000113.4V298 R299 L300 E304V298-S302 WeakPolarHBondContact O-CB 3.37Å; V298-S302 PolarHBondContact O-N 3.36Å; V298-S302 PolarHBondContact O-OG 3.43Å; R299-S302 PolarHBondContact O-N 3.09Å; L300-S302 VanDerWaalsContact C-N 3.25Å; L300-S302 PolarHBondContact O-N 3.36Å; S302-E304 VanDerWaalsContact C-N 3.32Å; S302-E304 PolarHBondContact O-N 3.28Å
303K86.5Confident88.5Confident117 Ų11760 Ų6051%0.50930%0.298SS..THydrogen-bonded Turntrans59.436.7178.6-55.6-179.7-176.7174.80113.6R299 L300 Q301 N343R299-K303 PolarHBondContact O-N 3Å; L300-K303 WeakPolarHBondContact O-CA 3.39Å; L300-K303 PolarHBondContact O-N 2.9Å; Q301-K303 PolarHBondContact O-N 2.89Å; K303-N343 PolarHBondContact NZ-OD1 2.83Å
304E90.9Very high88.4Confident71 Ų7160 Ų6033%0.33230%0.297SS..  trans-62.7130.2173.1-73.7-177.4-14300110.9R299 S302 D306 F307 I308R299-E304 HydrophobicContact CB-CG 4.43Å; R299-E304 WeakPolarHBondContact CB-OE1 3.27Å; R299-E304 WeakPolarHBondContact CG-OE1 3.37Å; R299-E304 PolarHBondContact O-N 3Å; S302-E304 VanDerWaalsContact C-N 3.32Å; S302-E304 PolarHBondContact O-N 3.28Å; E304-D306 VanDerWaalsContact C-N 3.35Å; E304-D306 PolarHBondContact O-N 3.33Å; E304-F307 HydrophobicContact CB-CB 4.42Å; E304-F307 HydrophobicContact CB-CD2 3.74Å; E304-F307 HydrophobicContact CB-CG 4.48Å; E304-F307 PolarHBondContact O-N 3.21Å; E304-F307 VanDerWaalsContact O-N 3.17Å; E304-F307 WeakPolarHBondContact OE2-CD2 3.47Å; E304-F307 WeakPolarHBondContact OE2-CE2 3.48Å; E304-I308 WeakPolarHBondContact O-CG1 3.34Å; E304-I308 PolarHBondContact O-N 3.44Å
305P91.3Very high88.6Confident105 Ų10553.9 Ų53.968%0.68227%0.274SS*.Hα-helixtrans-55-42.5-171.8-29.335.2000114.8F307 I308 K309P305-F307 VanDerWaalsContact C-N 3.35Å; P305-F307 PolarHBondContact O-N 3.15Å; P305-I308 PolarHBondContact O-N 3.44Å; P305-K309 WeakPolarHBondContact O-CB 3.36Å; P305-K309 PolarHBondContact O-N 3.33Å
306D90.1Very high88.6Confident85 Ų8552.2 Ų52.246%0.45527%0.268SS..Hα-helixtrans-69.5-33.8-176.6-65.9-12.9000112.5Y262 L263 E304 A310Y262-D306 PolarHBondContact OH-O 3.21Å; L263-D306 HydrophobicContact CD2-CB 4.11Å; E304-D306 VanDerWaalsContact C-N 3.35Å; E304-D306 PolarHBondContact O-N 3.33Å; D306-A310 PolarHBondContact O-N 2.84Å; D306-A310 VanDerWaalsContact O-N 3.09Å
307F89.1Confident88.6Confident10 Ų1052.3 Ų52.34%0.04427%0.269CS..Hα-helixtrans-77.3-38.7177.9-70.1-91.5000111.3I252 C296 R299 L300 E304 P305 K309 A310 W311I252-F307 HydrophobicContact CG2-CD1 3.8Å; I252-F307 HydrophobicContact CG2-CE1 4.14Å; C296-F307 HydrophobicContact CB-CD1 4.35Å; C296-F307 HydrophobicContact CB-CE1 4.12Å; R299-F307 HydrophobicContact CB-CD1 4.06Å; R299-F307 HydrophobicContact CB-CD2 3.85Å; R299-F307 HydrophobicContact CB-CE1 4.2Å; R299-F307 HydrophobicContact CB-CE2 3.96Å; R299-F307 HydrophobicContact CB-CG 3.92Å; R299-F307 HydrophobicContact CB-CZ 4.15Å; R299-F307 VanDerWaalsContact CD-CE2 3.4Å; R299-F307 HydrophobicContact CG-CE2 4.34Å; R299-F307 HydrophobicContact CG-CZ 4.39Å; L300-F307 HydrophobicContact CD1-CB 4.48Å; E304-F307 HydrophobicContact CB-CB 4.42Å; E304-F307 HydrophobicContact CB-CD2 3.74Å; E304-F307 HydrophobicContact CB-CG 4.48Å; E304-F307 PolarHBondContact O-N 3.21Å; E304-F307 VanDerWaalsContact O-N 3.17Å; E304-F307 WeakPolarHBondContact OE2-CD2 3.47Å; E304-F307 WeakPolarHBondContact OE2-CE2 3.48Å; P305-F307 VanDerWaalsContact C-N 3.35Å; P305-F307 PolarHBondContact O-N 3.15Å; F307-K309 VanDerWaalsContact C-N 3.31Å; F307-A310 PolarHBondContact O-N 2.93Å; F307-W311 WeakPolarHBondContact O-CB 3.32Å; F307-W311 PolarHBondContact O-N 2.96Å
308I90.4Very high88.7Confident44 Ų4452 Ų5223%0.22627%0.267CS..Hα-helixtrans-63.9-39.4172.3-67.5-72.8000110.6L300 E304 P305 W311 N312L300-I308 HydrophobicContact CD1-CD1 3.76Å; L300-I308 HydrophobicContact CD1-CG1 4.38Å; E304-I308 WeakPolarHBondContact O-CG1 3.34Å; E304-I308 PolarHBondContact O-N 3.44Å; P305-I308 PolarHBondContact O-N 3.44Å; I308-W311 PolarHBondContact O-N 2.88Å; I308-N312 WeakPolarHBondContact O-CB 3.49Å; I308-N312 PolarHBondContact O-N 2.88Å; I308-N312 PolarHBondContact O-ND2 2.97Å
309K89.9Confident88.9Confident90 Ų9051 Ų5139%0.39125%0.254SS..Hα-helixtrans-63.1-45.4175.3-169.3174.4-175.7-176.70111.6L263 P305 F307 W311 N312 M313L263-K309 HydrophobicContact CD2-CD 3.93Å; L263-K309 PolarHBondContact O-NZ 3.47Å; P305-K309 WeakPolarHBondContact O-CB 3.36Å; P305-K309 PolarHBondContact O-N 3.33Å; F307-K309 VanDerWaalsContact C-N 3.31Å; K309-W311 PolarHBondContact O-N 3.26Å; K309-N312 PolarHBondContact O-N 2.87Å; K309-M313 HydrophobicContact CD-CE 4.2Å; K309-M313 HydrophobicContact CG-CE 3.82Å; K309-M313 WeakPolarHBondContact O-CG 3.45Å; K309-M313 PolarHBondContact O-N 2.97Å; K309-M313 VanDerWaalsContact O-N 3.12Å
310A89.9Confident89Confident0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-58.2-46.6173.700000112I252 L255 Y262 D306 F307 M313 I314I252-A310 HydrophobicContact CG1-CB 4.11Å; I252-A310 HydrophobicContact CG2-CB 3.96Å; L255-A310 HydrophobicContact CD2-CB 3.78Å; Y262-A310 HydrophobicContact CD2-CB 4.25Å; Y262-A310 HydrophobicContact CE2-CB 3.62Å; D306-A310 PolarHBondContact O-N 2.84Å; D306-A310 VanDerWaalsContact O-N 3.09Å; F307-A310 PolarHBondContact O-N 2.93Å; A310-M313 PolarHBondContact O-N 3.39Å; A310-I314 WeakPolarHBondContact O-CG1 3.32Å; A310-I314 PolarHBondContact O-N 3.3Å; A310-I314 VanDerWaalsContact O-N 3.17Å
311W91.4Very high89Confident22 Ų2256.5 Ų56.58%0.08328%0.278CS..Hα-helixtrans-60.7-46.7178.4172.776.6000112.4D243 W244 F248 I252 L300 F307 I308 K309 M313 I314 C315D243-W311 HydrophobicContact CB-CZ2 4.17Å; D243-W311 WeakPolarHBondContact O-CZ2 3.23Å; D243-W311 PolarHBondContact O-NE1 3.15Å; W244-W311 HydrophobicContact CE3-CZ2 4.4Å; F248-W311 AromaticContact CD1-CD1 3.42Å; F248-W311 VanDerWaalsContact CD1-CD1 3.42Å; F248-W311 AromaticContact CD1-NE1 3.87Å; F248-W311 AromaticContact CE1-CD1 3.59Å; F248-W311 AromaticContact CE1-NE1 3.65Å; F248-W311 AromaticContact CG-CD1 3.82Å; F248-W311 AromaticContact CZ-NE1 3.76Å; I252-W311 HydrophobicContact CD1-CB 4.32Å; L300-W311 HydrophobicContact CD1-CB 3.64Å; L300-W311 HydrophobicContact CD1-CG 3.98Å; L300-W311 HydrophobicContact CD2-CG 4.35Å; F307-W311 WeakPolarHBondContact O-CB 3.32Å; F307-W311 PolarHBondContact O-N 2.96Å; I308-W311 PolarHBondContact O-N 2.88Å; K309-W311 PolarHBondContact O-N 3.26Å; W311-M313 VanDerWaalsContact C-N 3.33Å; W311-M313 PolarHBondContact O-N 3.17Å; W311-I314 PolarHBondContact O-N 3.02Å; W311-C315 VanDerWaalsContact CE2-SG 3.52Å; W311-C315 PolarHBondContact NE1-SG 2.91Å; W311-C315 PolarHBondContact O-N 3.37Å; W311-C315 PolarHBondContact O-SG 3.4Å
312N90.6Very high89.3Confident57 Ų5752.6 Ų52.631%0.30526%0.259SS..Hα-helixtrans-58.6-44176.8-78.7-36.3000111.7I308 K309 I314 C315 D316I308-N312 WeakPolarHBondContact O-CB 3.49Å; I308-N312 PolarHBondContact O-N 2.88Å; I308-N312 PolarHBondContact O-ND2 2.97Å; K309-N312 PolarHBondContact O-N 2.87Å; N312-I314 VanDerWaalsContact C-N 3.34Å; N312-I314 PolarHBondContact O-N 2.8Å; N312-C315 PolarHBondContact O-N 3.36Å; N312-D316 WeakPolarHBondContact O-CB 3.27Å; N312-D316 PolarHBondContact O-N 3.38Å
313M88.5Confident89.6Confident34 Ų3453 Ų5317%0.16725%0.252CS..Hα-helixtrans-59.8-42.8177.5-70.5171.5178.600112.6Y262 P267 K309 A310 W311 D316 V317Y262-M313 HydrophobicContact CD2-SD 4.07Å; Y262-M313 WeakPolarHBondContact O-CE 3.41Å; P267-M313 HydrophobicContact CG-SD 4.44Å; K309-M313 HydrophobicContact CD-CE 4.2Å; K309-M313 HydrophobicContact CG-CE 3.82Å; K309-M313 WeakPolarHBondContact O-CG 3.45Å; K309-M313 PolarHBondContact O-N 2.97Å; K309-M313 VanDerWaalsContact O-N 3.12Å; A310-M313 PolarHBondContact O-N 3.39Å; W311-M313 VanDerWaalsContact C-N 3.33Å; W311-M313 PolarHBondContact O-N 3.17Å; M313-D316 PolarHBondContact O-N 2.72Å; M313-V317 WeakPolarHBondContact O-CG2 3.36Å; M313-V317 PolarHBondContact O-N 3.41Å
314I88.6Confident89.9Confident0 Ų051.9 Ų51.90%025%0.248CC..Hα-helixtrans-64.7-44177.3-66.5161.6000110.4I203 F248 L251 I252 L255 L272 A310 W311 N312 S318I203-I314 HydrophobicContact CG2-CG2 4.46Å; F248-I314 HydrophobicContact CE1-CG2 4.2Å; L251-I314 HydrophobicContact CB-CD1 3.91Å; L251-I314 HydrophobicContact CD1-CG2 4.3Å; I252-I314 HydrophobicContact CG1-CD1 4Å; L255-I314 HydrophobicContact CD2-CD1 4.41Å; L272-I314 HydrophobicContact CD2-CG2 4.16Å; A310-I314 WeakPolarHBondContact O-CG1 3.32Å; A310-I314 PolarHBondContact O-N 3.3Å; A310-I314 VanDerWaalsContact O-N 3.17Å; W311-I314 PolarHBondContact O-N 3.02Å; N312-I314 VanDerWaalsContact C-N 3.34Å; N312-I314 PolarHBondContact O-N 2.8Å; I314-S318 PolarHBondContact O-N 3.15Å; I314-S318 PolarHBondContact O-OG 3.35Å
315C90.3Very high89.9Confident0 Ų048.8 Ų48.80%023%0.233CC..Hα-helixtrans-63.3-43.6177.3-64.50000111.5W311 N312 V317 S318 R319W311-C315 VanDerWaalsContact CE2-SG 3.52Å; W311-C315 PolarHBondContact NE1-SG 2.91Å; W311-C315 PolarHBondContact O-N 3.37Å; W311-C315 PolarHBondContact O-SG 3.4Å; N312-C315 PolarHBondContact O-N 3.36Å; C315-V317 VanDerWaalsContact C-N 3.31Å; C315-V317 PolarHBondContact O-N 3.02Å; C315-S318 WeakPolarHBondContact O-CB 3.3Å; C315-S318 PolarHBondContact O-N 3.36Å; C315-R319 WeakPolarHBondContact O-CG 3.46Å; C315-R319 PolarHBondContact O-N 3.05Å
316D89.3Confident90Very high73 Ų7344.1 Ų44.139%0.3920%0.202SC..Hα-helixtrans-65.4-31.1-177.1-70.6-18.1000113.3N312 M313 R319 R320N312-D316 WeakPolarHBondContact O-CB 3.27Å; N312-D316 PolarHBondContact O-N 3.38Å; M313-D316 PolarHBondContact O-N 2.72Å; D316-R319 IonicContact OD1-CZ 2.85Å; D316-R319 IonicContact OD1-NH1 3.95Å; D316-R319 PolarHBondContact OD1-NH1 3.34Å; D316-R320 WeakPolarHBondContact O-CG 3.07Å; D316-R320 PolarHBondContact O-N 3.09Å; D316-R320 VanDerWaalsContact O-N 3.16Å; D316-R320 PolarHBondContact O-NE 2.77Å
317V88.4Confident90.1Very high7 Ų744.7 Ų44.74%0.04221%0.205CC..Hα-helixtrans-68.2-45.2171.5-179.60000110.2I269 L272 M313 C315 R320 E321I269-V317 HydrophobicContact CB-CG2 4.13Å; I269-V317 HydrophobicContact CD1-CG2 4.44Å; I269-V317 HydrophobicContact CG2-CG1 4.43Å; L272-V317 HydrophobicContact CD1-CB 3.37Å; L272-V317 HydrophobicContact CD1-CG1 3.35Å; L272-V317 HydrophobicContact CD1-CG2 4.26Å; M313-V317 WeakPolarHBondContact O-CG2 3.36Å; M313-V317 PolarHBondContact O-N 3.41Å; C315-V317 VanDerWaalsContact C-N 3.31Å; C315-V317 PolarHBondContact O-N 3.02Å; V317-R320 VanDerWaalsContact CG2-NH2 3.26Å; V317-R320 PolarHBondContact O-N 3.4Å; V317-E321 PolarHBondContact O-N 3.34Å
318S88.2Confident90.2Very high6 Ų645.5 Ų45.54%0.04221%0.212CC..Hα-helixtrans-64.2-41.9177.7-59.30000112A204 I314 C315 R320 E321 F322A204-S318 PolarHBondContact N-OG 2.92Å; I314-S318 PolarHBondContact O-N 3.15Å; I314-S318 PolarHBondContact O-OG 3.35Å; C315-S318 WeakPolarHBondContact O-CB 3.3Å; C315-S318 PolarHBondContact O-N 3.36Å; S318-R320 VanDerWaalsContact C-N 3.33Å; S318-R320 PolarHBondContact O-N 3.25Å; S318-E321 PolarHBondContact O-N 2.87Å; S318-F322 WeakPolarHBondContact O-CD2 3.5Å; S318-F322 WeakPolarHBondContact O-CG 3.43Å; S318-F322 PolarHBondContact O-N 3.47Å
319R89.9Confident90.2Very high65 Ų6543.5 Ų43.525%0.24520%0.202CC..Hα-helixtrans-57.9-42.9175.7-73.7174.1-175.5133.44.5112.1C315 D316 E321 F322 Q323 E335C315-R319 WeakPolarHBondContact O-CG 3.46Å; C315-R319 PolarHBondContact O-N 3.05Å; D316-R319 IonicContact OD1-CZ 2.85Å; D316-R319 IonicContact OD1-NH1 3.95Å; D316-R319 PolarHBondContact OD1-NH1 3.34Å; R319-E321 VanDerWaalsContact C-N 3.34Å; R319-E321 PolarHBondContact O-N 3.35Å; R319-F322 PolarHBondContact O-N 3.13Å; R319-Q323 WeakPolarHBondContact O-CB 3.24Å; R319-Q323 PolarHBondContact O-N 2.96Å; R319-E335 VanDerWaalsContact CD-OE2 3.32Å; R319-E335 WeakPolarHBondContact CD-OE2 3.4Å; R319-E335 WeakPolarHBondContact CG-OE2 3.28Å; R319-E335 IonicContact CZ-OE1 3.87Å; R319-E335 VanDerWaalsContact CZ-OE1 3.31Å; R319-E335 IonicContact CZ-OE2 3.36Å; R319-E335 VanDerWaalsContact NE-CD 3.27Å; R319-E335 IonicContact NE-OE1 2.78Å; R319-E335 PolarHBondContact NE-OE1 3.49Å; R319-E335 IonicContact NE-OE2 2.8Å; R319-E335 PolarHBondContact NE-OE2 3.07Å; R319-E335 IonicContact NH2-OE1 2.86Å; R319-E335 PolarHBondContact NH2-OE1 2.76Å
320R89.5Confident90.4Very high151 Ų15142.3 Ų42.357%0.5720%0.2SC*.Hα-helixtrans-62.3-40.1176.9-78.6-177.8-72.5147.9-8.3112.4D316 V317 S318 K324D316-R320 WeakPolarHBondContact O-CG 3.07Å; D316-R320 PolarHBondContact O-N 3.09Å; D316-R320 VanDerWaalsContact O-N 3.16Å; D316-R320 PolarHBondContact O-NE 2.77Å; V317-R320 VanDerWaalsContact CG2-NH2 3.26Å; V317-R320 PolarHBondContact O-N 3.4Å; S318-R320 VanDerWaalsContact C-N 3.33Å; S318-R320 PolarHBondContact O-N 3.25Å; R320-K324 WeakPolarHBondContact O-CG 3.3Å; R320-K324 PolarHBondContact O-N 3.38Å
321E87.7Confident90.5Very high75 Ų7542.7 Ų42.735%0.3520%0.202SC..Hα-helixtrans-69.9-41.2175.8-65.6-5213200112.3V317 S318 R319 Q323 K324V317-E321 PolarHBondContact O-N 3.34Å; S318-E321 PolarHBondContact O-N 2.87Å; R319-E321 VanDerWaalsContact C-N 3.34Å; R319-E321 PolarHBondContact O-N 3.35Å; E321-Q323 VanDerWaalsContact C-N 3.32Å; E321-Q323 PolarHBondContact O-N 2.97Å; E321-K324 PolarHBondContact O-N 2.85Å; E321-K324 IonicContact OE1-NZ 3.32Å; E321-K324 PolarHBondContact OE1-NZ 2.85Å; E321-K324 IonicContact OE2-NZ 2.91Å; E321-K324 PolarHBondContact OE2-NZ 3.33Å
322F90.4Very high90.5Very high15 Ų1549.2 Ų49.27%0.06623%0.231CC..Hα-helixtrans-63.7-38.9175.5-58.9-21.4000111.8P201 I203 M207 S318 R319 K324 V325 Y326P201-F322 HydrophobicContact CB-CE1 4.24Å; P201-F322 HydrophobicContact CB-CE2 4.04Å; P201-F322 HydrophobicContact CB-CZ 3.83Å; P201-F322 HydrophobicContact CG-CD2 3.8Å; P201-F322 HydrophobicContact CG-CE1 4.37Å; P201-F322 HydrophobicContact CG-CE2 3.5Å; P201-F322 HydrophobicContact CG-CG 4.34Å; P201-F322 HydrophobicContact CG-CZ 3.83Å; I203-F322 HydrophobicContact CD1-CE2 3.79Å; M207-F322 HydrophobicContact CE-CB 4.31Å; M207-F322 HydrophobicContact CE-CD1 4.08Å; M207-F322 HydrophobicContact CE-CG 4.14Å; M207-F322 HydrophobicContact CG-CD1 3.72Å; M207-F322 HydrophobicContact CG-CE1 3.72Å; M207-F322 HydrophobicContact SD-CD1 3.82Å; M207-F322 HydrophobicContact SD-CE1 4.42Å; M207-F322 HydrophobicContact SD-CG 4.37Å; S318-F322 WeakPolarHBondContact O-CD2 3.5Å; S318-F322 WeakPolarHBondContact O-CG 3.43Å; S318-F322 PolarHBondContact O-N 3.47Å; R319-F322 PolarHBondContact O-N 3.13Å; F322-K324 VanDerWaalsContact C-N 3.32Å; F322-K324 PolarHBondContact O-N 2.93Å; F322-V325 WeakPolarHBondContact O-CB 3.49Å; F322-V325 PolarHBondContact O-N 3.49Å; F322-V325 VanDerWaalsContact O-N 3.1Å; F322-Y326 HydrophobicContact CB-CD2 4.42Å; F322-Y326 HydrophobicContact CB-CE2 3.73Å; F322-Y326 WeakPolarHBondContact O-CD2 3.41Å; F322-Y326 PolarHBondContact O-N 3.38Å
323Q91.6Very high90.5Very high86 Ų8648.2 Ų48.240%0.40223%0.225SC..Hα-helixtrans-62-38.2178.9-167.859.947.100112.2R319 E321 V325 Y326 D327R319-Q323 WeakPolarHBondContact O-CB 3.24Å; R319-Q323 PolarHBondContact O-N 2.96Å; E321-Q323 VanDerWaalsContact C-N 3.32Å; E321-Q323 PolarHBondContact O-N 2.97Å; Q323-V325 VanDerWaalsContact C-N 3.26Å; Q323-V325 PolarHBondContact O-N 3.23Å; Q323-Y326 PolarHBondContact O-N 3.01Å; Q323-Y326 VanDerWaalsContact O-N 3.16Å; Q323-D327 PolarHBondContact NE2-OD1 2.93Å; Q323-D327 WeakPolarHBondContact O-CB 3.33Å; Q323-D327 PolarHBondContact O-N 2.83Å
324K91.2Very high90.6Very high94 Ų9449.5 Ų49.541%0.40923%0.234SC..Hα-helixtrans-56.8-42174.1-66.8172.5-170.9168.70111.8R320 E321 F322 C328 M466R320-K324 WeakPolarHBondContact O-CG 3.3Å; R320-K324 PolarHBondContact O-N 3.38Å; E321-K324 PolarHBondContact O-N 2.85Å; E321-K324 IonicContact OE1-NZ 3.32Å; E321-K324 PolarHBondContact OE1-NZ 2.85Å; E321-K324 IonicContact OE2-NZ 2.91Å; E321-K324 PolarHBondContact OE2-NZ 3.33Å; F322-K324 VanDerWaalsContact C-N 3.32Å; F322-K324 PolarHBondContact O-N 2.93Å; K324-C328 WeakPolarHBondContact O-CB 3.34Å; K324-C328 PolarHBondContact O-N 3.16Å; K324-C328 PolarHBondContact O-SG 2.75Å; K324-C328 VanDerWaalsContact O-SG 3.38Å; K324-M466 HydrophobicContact CB-CE 4.46Å; K324-M466 HydrophobicContact CB-SD 4.26Å
325V91.5Very high90.8Very high5 Ų552.8 Ų52.83%0.0325%0.25CC..Hα-helixtrans-65.1-47.8176.7175.70000110.5M207 F322 Q323 D327 C328 L329 L465 M466 L469M207-V325 HydrophobicContact SD-CB 4.34Å; M207-V325 HydrophobicContact SD-CG1 4.24Å; M207-V325 HydrophobicContact SD-CG2 4.32Å; F322-V325 WeakPolarHBondContact O-CB 3.49Å; F322-V325 PolarHBondContact O-N 3.49Å; F322-V325 VanDerWaalsContact O-N 3.1Å; Q323-V325 VanDerWaalsContact C-N 3.26Å; Q323-V325 PolarHBondContact O-N 3.23Å; V325-D327 VanDerWaalsContact C-N 3.33Å; V325-D327 PolarHBondContact O-N 3.2Å; V325-C328 WeakPolarHBondContact O-CB 3.37Å; V325-C328 PolarHBondContact O-N 3.19Å; V325-L329 HydrophobicContact CG1-CD1 3.97Å; V325-L329 WeakPolarHBondContact O-CG 3.41Å; V325-L329 PolarHBondContact O-N 2.82Å; V325-L465 HydrophobicContact CB-CD2 4.48Å; V325-L465 HydrophobicContact CG1-CD2 3.43Å; V325-L465 VanDerWaalsContact CG1-CD2 3.43Å; V325-L465 HydrophobicContact CG1-CG 4.13Å; V325-L465 HydrophobicContact CG2-CD2 4.23Å; V325-L465 HydrophobicContact CG2-CG 4.44Å; V325-M466 HydrophobicContact CG2-CG 4.09Å; V325-M466 HydrophobicContact CG2-SD 3.7Å; V325-L469 HydrophobicContact CG1-CD1 4.42Å
326Y93.4Very high90.8Very high7 Ų754.9 Ų54.93%0.02726%0.258CS..Hα-helixtrans-62.8-39179.5-58.6-42.1000112.3S199 M207 T215 N239 F322 Q323 L329 D330 I331 I333S199-Y326 WeakPolarHBondContact OG-CE1 3.2Å; S199-Y326 PolarHBondContact OG-OH 3.44Å; M207-Y326 HydrophobicContact CE-CE1 3.83Å; M207-Y326 WeakPolarHBondContact CE-OH 3.46Å; T215-Y326 HydrophobicContact CG2-CD1 4.18Å; T215-Y326 HydrophobicContact CG2-CE1 4Å; N239-Y326 PolarHBondContact ND2-OH 3.1Å; F322-Y326 HydrophobicContact CB-CD2 4.42Å; F322-Y326 HydrophobicContact CB-CE2 3.73Å; F322-Y326 WeakPolarHBondContact O-CD2 3.41Å; F322-Y326 PolarHBondContact O-N 3.38Å; Q323-Y326 PolarHBondContact O-N 3.01Å; Q323-Y326 VanDerWaalsContact O-N 3.16Å; Y326-L329 CarbonylContact O-C 3.58Å; Y326-L329 PolarHBondContact O-N 3.44Å; Y326-D330 PolarHBondContact O-N 2.81Å; Y326-I331 HydrophobicContact CD1-CB 4.48Å; Y326-I331 HydrophobicContact CD1-CG2 4.44Å; Y326-I331 PolarHBondContact O-N 2.75Å; Y326-I333 HydrophobicContact CD2-CG2 4.14Å; Y326-I333 HydrophobicContact CE2-CG2 3.99Å
327D92.6Very high90.9Very high98 Ų9851.6 Ų51.652%0.52424%0.241SC..Hα-helixtrans-66.5-39.4176.5-67.6-18.4000111.8Q323 V325 L329 D330Q323-D327 PolarHBondContact NE2-OD1 2.93Å; Q323-D327 WeakPolarHBondContact O-CB 3.33Å; Q323-D327 PolarHBondContact O-N 2.83Å; V325-D327 VanDerWaalsContact C-N 3.33Å; V325-D327 PolarHBondContact O-N 3.2Å; D327-L329 VanDerWaalsContact C-N 3.29Å; D327-L329 PolarHBondContact O-N 3.23Å; D327-D330 PolarHBondContact O-N 2.78Å
328C90.8Very high91Very high27 Ų2753.3 Ų53.318%0.18225%0.248CC..Hα-helixtrans-61.2-40.6173.1-80.90000111.8K324 V325 L469 F503K324-C328 WeakPolarHBondContact O-CB 3.34Å; K324-C328 PolarHBondContact O-N 3.16Å; K324-C328 PolarHBondContact O-SG 2.75Å; K324-C328 VanDerWaalsContact O-SG 3.38Å; V325-C328 WeakPolarHBondContact O-CB 3.37Å; V325-C328 PolarHBondContact O-N 3.19Å; C328-L469 HydrophobicContact CB-CD1 4.06Å; C328-F503 HydrophobicContact CB-CE1 4.36Å; C328-F503 HydrophobicContact CB-CE2 4.42Å; C328-F503 HydrophobicContact CB-CZ 3.98Å; C328-F503 WeakPolarHBondContact O-CD2 3.36Å; C328-F503 VanDerWaalsContact O-CE2 3.23Å; C328-F503 WeakPolarHBondContact O-CE2 3.48Å
329L91.1Very high91.1Very high2 Ų254.6 Ų54.61%0.0126%0.257CS..Hα-helixtrans-87.8-1.9-177.9-62175.9000113.7L212 V325 Y326 D327 I331 L469 K507L212-L329 HydrophobicContact CD1-CD1 3.62Å; V325-L329 HydrophobicContact CG1-CD1 3.97Å; V325-L329 WeakPolarHBondContact O-CG 3.41Å; V325-L329 PolarHBondContact O-N 2.82Å; Y326-L329 CarbonylContact O-C 3.58Å; Y326-L329 PolarHBondContact O-N 3.44Å; D327-L329 VanDerWaalsContact C-N 3.29Å; D327-L329 PolarHBondContact O-N 3.23Å; L329-I331 HydrophobicContact CB-CD1 3.6Å; L329-I331 HydrophobicContact CB-CG1 3.76Å; L329-I331 HydrophobicContact CD1-CD1 4.07Å; L329-I331 HydrophobicContact CG-CD1 4.5Å; L329-L469 HydrophobicContact CD2-CD2 4.08Å; L329-K507 WeakPolarHBondContact O-CE 3.17Å; L329-K507 PolarHBondContact O-NZ 3.08Å
330D92.9Very high91.2Very high65 Ų6555.2 Ų55.235%0.34826%0.262SS..THydrogen-bonded Turntrans53.852.6-172.8-175.650000112.6R223 Y326 D327R223-D330 IonicContact CZ-OD2 2.88Å; R223-D330 PolarHBondContact NH2-O 2.77Å; R223-D330 IonicContact NH2-OD2 2.74Å; R223-D330 PolarHBondContact NH2-OD2 2.97Å; Y326-D330 PolarHBondContact O-N 2.81Å; D327-D330 PolarHBondContact O-N 2.78Å
331I92.3Very high91.2Very high8 Ų848 Ų484%0.04124%0.235CC..  trans-115.8126.6-176.8-61.3-177.9000109.7F198 T215 D219 Y326 L329F198-I331 HydrophobicContact CE2-CG2 4.01Å; F198-I331 HydrophobicContact CZ-CG2 4.29Å; T215-I331 HydrophobicContact CG2-CD1 3.48Å; T215-I331 VanDerWaalsContact CG2-CD1 3.48Å; T215-I331 HydrophobicContact CG2-CG2 4.46Å; D219-I331 HydrophobicContact CB-CD1 3.96Å; D219-I331 HydrophobicContact CB-CG1 4.11Å; D219-I331 HydrophobicContact CB-CG2 4.27Å; Y326-I331 HydrophobicContact CD1-CB 4.48Å; Y326-I331 HydrophobicContact CD1-CG2 4.44Å; Y326-I331 PolarHBondContact O-N 2.75Å; L329-I331 HydrophobicContact CB-CD1 3.6Å; L329-I331 HydrophobicContact CB-CG1 3.76Å; L329-I331 HydrophobicContact CD1-CD1 4.07Å; L329-I331 HydrophobicContact CG-CD1 4.5Å
332K91Very high91.2Very high159 Ų15945.9 Ų45.969%0.69123%0.225SC*.  trans-102.2129.7172.5-62.2178.4-175174.60108.1R237R237-K332 WeakPolarHBondContact CD-O 3.13Å; R237-K332 PolarHBondContact NH1-O 3.01Å
333I90.7Very high91.2Very high35 Ų3549.8 Ų49.818%0.17925%0.246CC..  trans-148.8148-178.1-158172.7000110.4F198 R237 N239 Y326F198-I333 HydrophobicContact CD1-CD1 4.29Å; F198-I333 HydrophobicContact CD2-CD1 3.99Å; F198-I333 HydrophobicContact CE1-CD1 3.95Å; F198-I333 HydrophobicContact CE1-CG1 4.11Å; F198-I333 HydrophobicContact CE2-CD1 3.65Å; F198-I333 HydrophobicContact CE2-CG1 4.35Å; F198-I333 HydrophobicContact CG-CD1 4.31Å; F198-I333 HydrophobicContact CZ-CB 4.37Å; F198-I333 HydrophobicContact CZ-CD1 3.62Å; F198-I333 HydrophobicContact CZ-CG1 3.85Å; F198-I333 WeakPolarHBondContact O-CD1 3.42Å; R237-I333 HydrophobicContact CB-CG1 4.44Å; N239-I333 HydrophobicContact CB-CD1 3.48Å; N239-I333 VanDerWaalsContact CB-CD1 3.48Å; N239-I333 HydrophobicContact CB-CG1 3.79Å; N239-I333 HydrophobicContact CB-CG2 4.38Å; Y326-I333 HydrophobicContact CD2-CG2 4.14Å; Y326-I333 HydrophobicContact CE2-CG2 3.99Å
334V92.2Very high91.2Very high61 Ų6148.4 Ų48.437%0.3724%0.237SC..EExtended strand (participates in β ladder)trans-105.5119.3178.5-178.20000109R237 N239 R336R237-V334 WeakPolarHBondContact O-CB 3.45Å; R237-V334 PolarHBondContact O-N 3.04Å; N239-V334 PolarHBondContact N-O 2.82Å; V334-R336 PolarHBondContact O-N 2.85Å
335E91.5Very high91.2Very high69 Ų6944.1 Ų44.132%0.32222%0.219SC..EExtended strand (participates in β ladder)trans-71.6123.1178.7-173.2-176.4153.300112.1V241 R319V241-E335 HydrophobicContact CB-CG 4.45Å; V241-E335 HydrophobicContact CG2-CG 3.92Å; R319-E335 VanDerWaalsContact CD-OE2 3.32Å; R319-E335 WeakPolarHBondContact CD-OE2 3.4Å; R319-E335 WeakPolarHBondContact CG-OE2 3.28Å; R319-E335 IonicContact CZ-OE1 3.87Å; R319-E335 VanDerWaalsContact CZ-OE1 3.31Å; R319-E335 IonicContact CZ-OE2 3.36Å; R319-E335 VanDerWaalsContact NE-CD 3.27Å; R319-E335 IonicContact NE-OE1 2.78Å; R319-E335 PolarHBondContact NE-OE1 3.49Å; R319-E335 IonicContact NE-OE2 2.8Å; R319-E335 PolarHBondContact NE-OE2 3.07Å; R319-E335 IonicContact NH2-OE1 2.86Å; R319-E335 PolarHBondContact NH2-OE1 2.76Å
336R91.4Very high91.2Very high45 Ų4547.5 Ų47.517%0.1724%0.239CC..  trans-145.478.7170.6-66.1-167.9-169.1175.9-4.7110.4V235 L238 N239 H240 V334 E402V235-R336 VanDerWaalsContact CG1-NH1 3.33Å; L238-R336 HydrophobicContact CD2-CB 4.44Å; L238-R336 HydrophobicContact CD2-CG 4.12Å; N239-R336 CarbonylContact O-C 3.48Å; N239-R336 VanDerWaalsContact O-C 3.3Å; N239-R336 PolarHBondContact O-N 2.57Å; H240-R336 PolarHBondContact ND1-O 3.39Å; H240-R336 VanDerWaalsContact ND1-O 3.14Å; V334-R336 PolarHBondContact O-N 2.85Å; R336-E402 IonicContact CZ-OE1 3.55Å; R336-E402 IonicContact NH1-OE1 2.91Å; R336-E402 PolarHBondContact NH1-OE1 3.37Å; R336-E402 IonicContact NH2-OE1 3.96Å
337G90.1Very high91.1Very high3 Ų352.5 Ų52.53%0.03126%0.263CS..  trans-72.2179.7178.900000114.7V241 D243 S339 F340 Y341V241-G337 CarbonylContact O-C 3.58Å; V241-G337 WeakPolarHBondContact O-CA 3.4Å; D243-G337 WeakPolarHBondContact OD1-CA 3.4Å; G337-S339 PolarHBondContact O-N 3.3Å; G337-F340 WeakPolarHBondContact O-CB 3.31Å; G337-F340 PolarHBondContact O-N 2.84Å; G337-F340 VanDerWaalsContact O-N 3.17Å; G337-Y341 VanDerWaalsContact O-CD2 3.3Å; G337-Y341 WeakPolarHBondContact O-CD2 3.43Å; G337-Y341 VanDerWaalsContact O-CE2 3.29Å; G337-Y341 WeakPolarHBondContact O-CE2 3.32Å
338E90.3Very high91.2Very high44 Ų4447.9 Ų47.921%0.20624%0.239CC..G310 helixtrans-56.8-30177.1-66.8178.4-157.400113.2V241 D243 W244 F340 Y341 Q342V241-E338 PolarHBondContact O-N 3.4Å; V241-E338 VanDerWaalsContact O-N 3.15Å; D243-E338 PolarHBondContact OD1-N 3.44Å; W244-E338 HydrophobicContact CB-CB 3.78Å; E338-F340 PolarHBondContact O-N 2.92Å; E338-Y341 PolarHBondContact O-N 3.46Å; E338-Y341 VanDerWaalsContact O-N 3.14Å; E338-Q342 PolarHBondContact O-NE2 2.79Å
339S90.4Very high91.3Very high32 Ų3247 Ų4722%0.22423%0.232CC..G310 helixtrans-60.4-29.817873.70000113.1D243 G337 Y341 Q342D243-S339 VanDerWaalsContact CG-OG 3.31Å; D243-S339 WeakPolarHBondContact OD1-CB 3.27Å; D243-S339 PolarHBondContact OD1-N 3.01Å; D243-S339 PolarHBondContact OD1-OG 2.95Å; D243-S339 VanDerWaalsContact OD2-CB 3.23Å; D243-S339 WeakPolarHBondContact OD2-CB 3.48Å; D243-S339 PolarHBondContact OD2-OG 3.4Å; G337-S339 PolarHBondContact O-N 3.3Å; S339-Y341 VanDerWaalsContact C-N 3.27Å; S339-Y341 PolarHBondContact O-N 3.41Å; S339-Q342 VanDerWaalsContact O-CG 3.32Å; S339-Q342 WeakPolarHBondContact O-CG 3.26Å
340F91.9Very high91.5Very high79 Ų7952.7 Ų52.735%0.34626%0.257SS..G310 helixtrans-66.6-29.7178.5177.9-99.2000112.6G337 E338 R344 Q397G337-F340 WeakPolarHBondContact O-CB 3.31Å; G337-F340 PolarHBondContact O-N 2.84Å; G337-F340 VanDerWaalsContact O-N 3.17Å; E338-F340 PolarHBondContact O-N 2.92Å; F340-R344 PolarHBondContact O-NH1 3.46Å; F340-Q397 HydrophobicContact CE1-CG 4.17Å
341Y91.3Very high91.6Very high0 Ų051.5 Ų51.50%025%0.249CC..G310 helixtrans-92.8-2.3-173.1-53.4-80.2000113.7H240 G337 E338 S339 N343 R344 M345 A394 Q397H240-Y341 AromaticContact CE1-CD2 3.8Å; H240-Y341 AromaticContact CE1-CE2 3.39Å; H240-Y341 WeakPolarHBondContact CE1-CE2 3.42Å; H240-Y341 AromaticContact ND1-CE2 3.59Å; G337-Y341 VanDerWaalsContact O-CD2 3.3Å; G337-Y341 WeakPolarHBondContact O-CD2 3.43Å; G337-Y341 VanDerWaalsContact O-CE2 3.29Å; G337-Y341 WeakPolarHBondContact O-CE2 3.32Å; E338-Y341 PolarHBondContact O-N 3.46Å; E338-Y341 VanDerWaalsContact O-N 3.14Å; S339-Y341 VanDerWaalsContact C-N 3.27Å; S339-Y341 PolarHBondContact O-N 3.41Å; Y341-N343 PolarHBondContact O-N 2.97Å; Y341-R344 CarbonylContact O-C 3.59Å; Y341-R344 WeakPolarHBondContact O-CA 2.98Å; Y341-R344 WeakPolarHBondContact O-CB 3.37Å; Y341-R344 PolarHBondContact O-N 2.91Å; Y341-M345 WeakPolarHBondContact O-CG 3.39Å; Y341-M345 PolarHBondContact O-N 3.21Å; Y341-A394 HydrophobicContact CD1-CB 4.24Å; Y341-A394 HydrophobicContact CD2-CB 4.48Å; Y341-A394 HydrophobicContact CE1-CB 3.83Å; Y341-A394 HydrophobicContact CE2-CB 4.1Å; Y341-Q397 HydrophobicContact CD1-CB 4.3Å; Y341-Q397 HydrophobicContact CE1-CB 3.94Å; Y341-Q397 HydrophobicContact CE1-CG 4.11Å
342Q87.4Confident91.7Very high30 Ų3051.1 Ų51.114%0.1425%0.247CC..Hα-helixtrans-49.6-50-176.4-67.1-59.7-49.200114.2W244 E338 S339 R344 M345W244-Q342 HydrophobicContact CD2-CG 4.2Å; W244-Q342 HydrophobicContact CZ2-CG 4.02Å; E338-Q342 PolarHBondContact O-NE2 2.79Å; S339-Q342 VanDerWaalsContact O-CG 3.32Å; S339-Q342 WeakPolarHBondContact O-CG 3.26Å; Q342-R344 PolarHBondContact O-N 3.4Å; Q342-M345 HydrophobicContact CB-CE 4.47Å; Q342-M345 HydrophobicContact CG-CE 4.32Å
343N88.9Confident91.8Very high97 Ų9747.1 Ų47.152%0.51923%0.231SC..Hα-helixtrans-69.2-26.6-179.5-58.5-24.6000112.1K303 Y341K303-N343 PolarHBondContact NZ-OD1 2.83Å; Y341-N343 PolarHBondContact O-N 2.97Å
344R91.9Very high92Very high56 Ų5651.2 Ų51.221%0.21125%0.253CS..Hα-helixtrans-84.3-30.1-177.9-66.7173.2173.581.2-2.1112.1F340 Y341 Q342 T346 Q347 V348 A393 E401F340-R344 PolarHBondContact O-NH1 3.46Å; Y341-R344 CarbonylContact O-C 3.59Å; Y341-R344 WeakPolarHBondContact O-CA 2.98Å; Y341-R344 WeakPolarHBondContact O-CB 3.37Å; Y341-R344 PolarHBondContact O-N 2.91Å; Q342-R344 PolarHBondContact O-N 3.4Å; R344-T346 VanDerWaalsContact C-N 3.3Å; R344-T346 PolarHBondContact O-N 3.03Å; R344-Q347 WeakPolarHBondContact O-CA 3.33Å; R344-Q347 WeakPolarHBondContact O-CB 3.39Å; R344-Q347 PolarHBondContact O-N 2.91Å; R344-V348 WeakPolarHBondContact O-CG2 3.47Å; R344-V348 PolarHBondContact O-N 3.42Å; R344-A393 HydrophobicContact CB-CB 4.33Å; R344-E401 IonicContact CZ-OE1 3.83Å; R344-E401 IonicContact CZ-OE2 2.69Å; R344-E401 IonicContact NE-OE1 2.86Å; R344-E401 PolarHBondContact NE-OE1 3.34Å; R344-E401 IonicContact NE-OE2 3.54Å; R344-E401 PolarHBondContact NE-OE2 3.35Å; R344-E401 IonicContact NH2-OE1 3.76Å; R344-E401 PolarHBondContact NH2-OE1 3.01Å; R344-E401 IonicContact NH2-OE2 3.83Å; R344-E401 PolarHBondContact NH2-OE2 2.99Å
345M91Very high92.1Very high4 Ų453.4 Ų53.42%0.0226%0.258CS..Hα-helixtrans-57.4-43.7175.5-74.8-166.2-7100111.7Y341 Q342 Q347 V348 V349 Y385 T389 A393Y341-M345 WeakPolarHBondContact O-CG 3.39Å; Y341-M345 PolarHBondContact O-N 3.21Å; Q342-M345 HydrophobicContact CB-CE 4.47Å; Q342-M345 HydrophobicContact CG-CE 4.32Å; M345-Q347 VanDerWaalsContact C-N 3.26Å; M345-Q347 PolarHBondContact O-N 2.92Å; M345-V348 PolarHBondContact O-N 3.22Å; M345-V349 WeakPolarHBondContact O-CG2 3.35Å; M345-V349 PolarHBondContact O-N 2.71Å; M345-Y385 HydrophobicContact CB-CD2 3.96Å; M345-Y385 HydrophobicContact CB-CE2 4.07Å; M345-Y385 HydrophobicContact CB-CG 4.29Å; M345-Y385 HydrophobicContact CE-CD2 3.8Å; M345-Y385 HydrophobicContact CE-CG 4.31Å; M345-Y385 HydrophobicContact SD-CD2 4.2Å; M345-Y385 HydrophobicContact SD-CG 4.19Å; M345-T389 HydrophobicContact CB-CG2 3.74Å; M345-T389 HydrophobicContact CG-CG2 3.83Å; M345-T389 HydrophobicContact SD-CG2 3.87Å; M345-A393 HydrophobicContact CG-CB 3.8Å
346T91.3Very high92.1Very high76 Ų7653.2 Ų53.247%0.46627%0.274SS..Hα-helixtrans-59.5-37174.7-49.30000112.4R344 K350 Y385R344-T346 VanDerWaalsContact C-N 3.3Å; R344-T346 PolarHBondContact O-N 3.03Å; T346-K350 WeakPolarHBondContact O-CB 3.44Å; T346-K350 PolarHBondContact O-N 3.46Å; T346-Y385 WeakPolarHBondContact CA-OH 3.33Å; T346-Y385 WeakPolarHBondContact CB-OH 3.02Å; T346-Y385 PolarHBondContact OG1-OH 2.74Å
347Q92.9Very high92.2Very high113 Ų11353.4 Ų53.453%0.52828%0.278SS..Hα-helixtrans-70.5-41.2177.9-62.3178-5.900111.5R344 M345 K350 E351R344-Q347 WeakPolarHBondContact O-CA 3.33Å; R344-Q347 WeakPolarHBondContact O-CB 3.39Å; R344-Q347 PolarHBondContact O-N 2.91Å; M345-Q347 VanDerWaalsContact C-N 3.26Å; M345-Q347 PolarHBondContact O-N 2.92Å; Q347-K350 PolarHBondContact O-N 2.93Å; Q347-E351 WeakPolarHBondContact O-CB 3.44Å; Q347-E351 PolarHBondContact O-N 3.27Å
348V93.7Very high92.4Very high1 Ų154.8 Ų54.81%0.00629%0.286CS..Hα-helixtrans-62.4-50.5177170.70000110.7R344 M345 K350 E351 F352 L392 A393 R396 W431R344-V348 WeakPolarHBondContact O-CG2 3.47Å; R344-V348 PolarHBondContact O-N 3.42Å; M345-V348 PolarHBondContact O-N 3.22Å; V348-K350 VanDerWaalsContact C-N 3.27Å; V348-K350 PolarHBondContact O-N 3.3Å; V348-E351 WeakPolarHBondContact O-CB 3.5Å; V348-E351 PolarHBondContact O-N 3.03Å; V348-F352 HydrophobicContact CG1-CD2 3.79Å; V348-F352 HydrophobicContact CG1-CE2 3.75Å; V348-F352 WeakPolarHBondContact O-CD2 3.25Å; V348-F352 PolarHBondContact O-N 3.39Å; V348-L392 HydrophobicContact CG1-CB 3.98Å; V348-A393 HydrophobicContact CG2-CB 4Å; V348-R396 HydrophobicContact CG2-CB 4.5Å; V348-W431 HydrophobicContact CG1-CH2 3.93Å; V348-W431 HydrophobicContact CG1-CZ2 4.31Å; V348-W431 HydrophobicContact CG2-CH2 4.29Å; V348-W431 HydrophobicContact CG2-CZ2 4.48Å
349V93.5Very high92.5Very high7 Ų758 Ų584%0.04230%0.301CS..Hα-helixtrans-55-47.6178.6171.50000110.3M345 E351 F352 E353 I378 V379 Y385 T389M345-V349 WeakPolarHBondContact O-CG2 3.35Å; M345-V349 PolarHBondContact O-N 2.71Å; V349-E351 VanDerWaalsContact C-N 3.33Å; V349-E351 PolarHBondContact O-N 3.31Å; V349-F352 PolarHBondContact O-N 2.96Å; V349-E353 WeakPolarHBondContact O-CG 3.24Å; V349-E353 PolarHBondContact O-N 3.46Å; V349-I378 HydrophobicContact CG1-CD1 4.25Å; V349-I378 HydrophobicContact CG2-CB 4.36Å; V349-I378 HydrophobicContact CG2-CD1 4.42Å; V349-V379 HydrophobicContact CG1-CG2 3.75Å; V349-V379 HydrophobicContact CG2-CG2 3.95Å; V349-Y385 HydrophobicContact CG2-CD1 4.28Å; V349-Y385 HydrophobicContact CG2-CE1 3.89Å; V349-T389 HydrophobicContact CG2-CG2 3.8Å
350K94.5Very high92.5Very high122 Ų12263 Ų6353%0.5333%0.325SS..Hα-helixtrans-60.7-40.3176.9-171-179.2177.5-176.70112.6T346 Q347 V348 F352 E353 D354T346-K350 WeakPolarHBondContact O-CB 3.44Å; T346-K350 PolarHBondContact O-N 3.46Å; Q347-K350 PolarHBondContact O-N 2.93Å; V348-K350 VanDerWaalsContact C-N 3.27Å; V348-K350 PolarHBondContact O-N 3.3Å; K350-F352 VanDerWaalsContact C-N 3.34Å; K350-F352 PolarHBondContact O-N 3.07Å; K350-E353 PolarHBondContact O-N 3.04Å; K350-D354 WeakPolarHBondContact O-CB 3.45Å; K350-D354 VanDerWaalsContact O-CG 3.23Å; K350-D354 PolarHBondContact O-N 3.02Å
351E95.1Very high92.4Very high41 Ų4162.3 Ų62.319%0.19233%0.325CS..Hα-helixtrans-63.3-39.2178.7-164.9-17715100112.2Q347 V348 V349 K355 R396 I429 W431Q347-E351 WeakPolarHBondContact O-CB 3.44Å; Q347-E351 PolarHBondContact O-N 3.27Å; V348-E351 WeakPolarHBondContact O-CB 3.5Å; V348-E351 PolarHBondContact O-N 3.03Å; V349-E351 VanDerWaalsContact C-N 3.33Å; V349-E351 PolarHBondContact O-N 3.31Å; E351-K355 PolarHBondContact O-N 3.41Å; E351-K355 IonicContact OE1-NZ 2.7Å; E351-R396 IonicContact OE2-CZ 3.59Å; E351-R396 IonicContact OE2-NE 2.69Å; E351-R396 PolarHBondContact OE2-NE 3.26Å; E351-R396 IonicContact OE2-NH2 3.62Å; E351-I429 HydrophobicContact CG-CD1 4.13Å; E351-W431 PolarHBondContact OE1-NE1 2.96Å
352F94.3Very high92.2Very high0 Ų069.8 Ų69.80%036%0.36CS..Hα-helixtrans-67.8-37.9174-84.2-91.8000111.8V348 V349 K350 G356 L357 V358 V367 I378 L392 A425 M428 I429 W431V348-F352 HydrophobicContact CG1-CD2 3.79Å; V348-F352 HydrophobicContact CG1-CE2 3.75Å; V348-F352 WeakPolarHBondContact O-CD2 3.25Å; V348-F352 PolarHBondContact O-N 3.39Å; V349-F352 PolarHBondContact O-N 2.96Å; K350-F352 VanDerWaalsContact C-N 3.34Å; K350-F352 PolarHBondContact O-N 3.07Å; F352-G356 PolarHBondContact O-N 2.96Å; F352-L357 HydrophobicContact CD1-CB 4.02Å; F352-L357 HydrophobicContact CD1-CD1 4.12Å; F352-L357 HydrophobicContact CE1-CD1 4.44Å; F352-L357 PolarHBondContact O-N 3.13Å; F352-V358 HydrophobicContact CB-CG2 3.59Å; F352-V367 HydrophobicContact CD1-CG1 4.02Å; F352-V367 HydrophobicContact CD1-CG2 3.87Å; F352-V367 HydrophobicContact CE1-CG1 3.97Å; F352-V367 HydrophobicContact CE1-CG2 4.4Å; F352-V367 HydrophobicContact CG-CG2 4.41Å; F352-I378 HydrophobicContact CB-CD1 4.44Å; F352-L392 HydrophobicContact CE2-CD1 4.03Å; F352-L392 HydrophobicContact CE2-CD2 4.41Å; F352-L392 HydrophobicContact CZ-CD1 4.15Å; F352-L392 HydrophobicContact CZ-CD2 4.15Å; F352-A425 HydrophobicContact CZ-CB 4.41Å; F352-M428 HydrophobicContact CE1-CE 4.37Å; F352-I429 HydrophobicContact CD1-CD1 3.98Å; F352-I429 HydrophobicContact CD2-CD1 3.7Å; F352-I429 HydrophobicContact CE1-CB 4.38Å; F352-I429 HydrophobicContact CE1-CD1 3.9Å; F352-I429 HydrophobicContact CE2-CD1 3.62Å; F352-I429 HydrophobicContact CG-CD1 3.88Å; F352-I429 HydrophobicContact CZ-CB 4.32Å; F352-I429 HydrophobicContact CZ-CD1 3.72Å; F352-I429 HydrophobicContact CZ-CG2 4.32Å; F352-W431 AromaticContact CE2-CH2 3.77Å; F352-W431 HydrophobicContact CE2-CH2 3.77Å; F352-W431 AromaticContact CE2-CZ2 3.88Å; F352-W431 HydrophobicContact CE2-CZ2 3.88Å; F352-W431 HydrophobicContact CZ-CH2 4.36Å
353E93.8Very high92.1Very high75 Ų7570.7 Ų70.735%0.3538%0.377SS..Hα-helixtrans-66.2-47.3175.6-69.8179.6140.700112.2V349 K350 K355 G356 V358 K365V349-E353 WeakPolarHBondContact O-CG 3.24Å; V349-E353 PolarHBondContact O-N 3.46Å; K350-E353 PolarHBondContact O-N 3.04Å; E353-K355 PolarHBondContact O-N 3.5Å; E353-G356 PolarHBondContact O-N 3.34Å; E353-V358 HydrophobicContact CG-CB 4.24Å; E353-V358 HydrophobicContact CG-CG2 3.86Å; E353-K365 WeakPolarHBondContact OE1-CD 3.36Å; E353-K365 VanDerWaalsContact OE1-CE 3.23Å; E353-K365 WeakPolarHBondContact OE1-CE 3.39Å; E353-K365 IonicContact OE1-NZ 3.67Å; E353-K365 PolarHBondContact OE1-NZ 2.74Å
354D94.9Very high92.2Very high121 Ų12169.3 Ų69.365%0.64737%0.365SS*.Hα-helixtrans-62-28.8-179.3-72.5-18.4000111.5K350K350-D354 WeakPolarHBondContact O-CB 3.45Å; K350-D354 VanDerWaalsContact O-CG 3.23Å; K350-D354 PolarHBondContact O-N 3.02Å
355K93.6Very high92.2Very high106 Ų10669.5 Ų69.546%0.46137%0.367SS..THydrogen-bonded Turntrans-86.8-1.3174.4-75.6178.7171.6171.50114.2E351 E353 L357 I429E351-K355 PolarHBondContact O-N 3.41Å; E351-K355 IonicContact OE1-NZ 2.7Å; E353-K355 PolarHBondContact O-N 3.5Å; K355-L357 VanDerWaalsContact C-N 3.29Å; K355-L357 HydrophobicContact CB-CD1 3.88Å; K355-L357 HydrophobicContact CB-CG 3.98Å; K355-L357 HydrophobicContact CD-CD1 4.39Å; K355-L357 PolarHBondContact O-N 3.27Å; K355-I429 HydrophobicContact CD-CD1 4.02Å; K355-I429 HydrophobicContact CD-CG1 3.5Å; K355-I429 VanDerWaalsContact NZ-CG1 3.33Å; K355-I429 PolarHBondContact NZ-O 3.22Å
356G92.6Very high92.4Very high65 Ų6569.5 Ų69.567%0.6737%0.367SS*.THydrogen-bonded Turntrans66.927.6179.500000113.9F352 E353F352-G356 PolarHBondContact O-N 2.96Å; E353-G356 PolarHBondContact O-N 3.34Å
357L92.6Very high92.5Very high49 Ų4965.9 Ų65.926%0.25735%0.345SS..  trans-94.9-1.2-177.9-62.2171.2000113F352 K355 M428 I429F352-L357 HydrophobicContact CD1-CB 4.02Å; F352-L357 HydrophobicContact CD1-CD1 4.12Å; F352-L357 HydrophobicContact CE1-CD1 4.44Å; F352-L357 PolarHBondContact O-N 3.13Å; K355-L357 VanDerWaalsContact C-N 3.29Å; K355-L357 HydrophobicContact CB-CD1 3.88Å; K355-L357 HydrophobicContact CB-CG 3.98Å; K355-L357 HydrophobicContact CD-CD1 4.39Å; K355-L357 PolarHBondContact O-N 3.27Å; L357-M428 HydrophobicContact CB-CE 4.34Å; L357-M428 HydrophobicContact CD1-CE 4.08Å; L357-M428 HydrophobicContact CD2-CE 4.12Å; L357-M428 HydrophobicContact CD2-SD 4.38Å; L357-M428 HydrophobicContact CG-CE 4.4Å; L357-I429 HydrophobicContact CD1-CB 4.25Å; L357-I429 HydrophobicContact CD1-CD1 4.36Å; L357-I429 HydrophobicContact CD1-CG1 4.08Å
358V94.3Very high92.6Very high33 Ų3365 Ų6520%0.234%0.34CS..  trans-102130-176.1-179.60000110.3F352 E353 K365 I366 V367 I378F352-V358 HydrophobicContact CB-CG2 3.59Å; E353-V358 HydrophobicContact CG-CB 4.24Å; E353-V358 HydrophobicContact CG-CG2 3.86Å; V358-K365 HydrophobicContact CG1-CB 3.68Å; V358-K365 HydrophobicContact CG1-CD 4.33Å; V358-K365 HydrophobicContact CG1-CG 4.1Å; V358-I366 WeakPolarHBondContact CA-O 3.15Å; V358-V367 HydrophobicContact CG2-CG2 4.18Å; V358-I378 HydrophobicContact CG1-CD1 4.21Å; V358-I378 HydrophobicContact CG2-CD1 3.65Å
359E92.6Very high92.5Very high110 Ų11065.3 Ų65.351%0.51434%0.342SS..EExtended strand (participates in β ladder)trans-108.3145.8170.4-66.2-175.8-165.100110.5I366 F368E359-I366 HydrophobicContact CB-CG1 4.12Å; E359-I366 PolarHBondContact N-O 2.91Å; E359-I366 WeakPolarHBondContact O-CG1 3.19Å; E359-I366 PolarHBondContact O-N 3.15Å; E359-F368 HydrophobicContact CG-CD2 4.49Å; E359-F368 WeakPolarHBondContact OE2-CD2 3.2Å; E359-F368 VanDerWaalsContact OE2-CE2 3.29Å; E359-F368 WeakPolarHBondContact OE2-CE2 3.19Å
360L91.4Very high92.2Very high138 Ų13869.9 Ų69.972%0.72337%0.371SS*.EExtended strand (participates in β ladder)trans-94.9117.1174.4-86.9155000109.2R364 K365L360-R364 WeakPolarHBondContact CA-O 3.41Å; L360-K365 HydrophobicContact CD2-CG 4.23Å
361D89.8Confident91.7Very high64 Ų6468.1 Ų68.134%0.34239%0.388SS..EExtended strand (participates in β ladder)trans-129.6114.6179-18042.9000109.8G363 R364 I366D361-G363 PolarHBondContact O-N 3.44Å; D361-G363 VanDerWaalsContact O-N 3.1Å; D361-R364 PolarHBondContact N-O 3.1Å; D361-R364 WeakPolarHBondContact O-CA 3.38Å; D361-R364 VanDerWaalsContact O-CB 3.26Å; D361-R364 WeakPolarHBondContact O-CB 3.47Å; D361-R364 PolarHBondContact O-N 3.18Å; D361-R364 IonicContact OD2-CZ 2.74Å; D361-R364 IonicContact OD2-NH1 2.62Å; D361-R364 IonicContact OD2-NH2 3.43Å; D361-R364 PolarHBondContact OD2-NH2 2.88Å; D361-I366 HydrophobicContact CB-CD1 3.5Å; D361-I366 HydrophobicContact CB-CG1 3.99Å
362E86.4Confident91.3Very high157 Ų15769 Ų6973%0.73439%0.392SS*.THydrogen-bonded Turntrans50.636.7-178.7-58.6-179.6146.900114.3R364E362-R364 PolarHBondContact O-N 2.84Å; E362-R364 IonicContact OE2-CZ 2.75Å; E362-R364 IonicContact OE2-NE 3.63Å; E362-R364 IonicContact OE2-NH2 3.72Å; E362-R364 PolarHBondContact OE2-NH2 3.34Å
363G85Confident90.9Very high50 Ų5074.2 Ų74.252%0.51543%0.429SS..THydrogen-bonded Turntrans77.7-0.3-177.300000114.7D361 S381D361-G363 PolarHBondContact O-N 3.44Å; D361-G363 VanDerWaalsContact O-N 3.1Å; G363-S381 WeakPolarHBondContact O-CA 3.44Å
364R91.4Very high90.7Very high68 Ų6875.1 Ų75.126%0.25744%0.435SS..EExtended strand (participates in β ladder)trans-89.3150.9169.8-58.1173-79.6126.81.1109.5L360 D361 E362 I366 T377 V379L360-R364 WeakPolarHBondContact CA-O 3.41Å; D361-R364 PolarHBondContact N-O 3.1Å; D361-R364 WeakPolarHBondContact O-CA 3.38Å; D361-R364 VanDerWaalsContact O-CB 3.26Å; D361-R364 WeakPolarHBondContact O-CB 3.47Å; D361-R364 PolarHBondContact O-N 3.18Å; D361-R364 IonicContact OD2-CZ 2.74Å; D361-R364 IonicContact OD2-NH1 2.62Å; D361-R364 IonicContact OD2-NH2 3.43Å; D361-R364 PolarHBondContact OD2-NH2 2.88Å; E362-R364 PolarHBondContact O-N 2.84Å; E362-R364 IonicContact OE2-CZ 2.75Å; E362-R364 IonicContact OE2-NE 3.63Å; E362-R364 IonicContact OE2-NH2 3.72Å; E362-R364 PolarHBondContact OE2-NH2 3.34Å; R364-I366 HydrophobicContact CB-CG2 4.32Å; R364-T377 HydrophobicContact CB-CG2 4.42Å; R364-V379 WeakPolarHBondContact CA-O 3.44Å
365K92.6Very high90.6Very high59 Ų5971.2 Ų71.226%0.25742%0.416SS..EExtended strand (participates in β ladder)trans-99.5118.3169.9-64.4-176.9-174.3175.30108.3E353 V358 L360 I378 V379E353-K365 WeakPolarHBondContact OE1-CD 3.36Å; E353-K365 VanDerWaalsContact OE1-CE 3.23Å; E353-K365 WeakPolarHBondContact OE1-CE 3.39Å; E353-K365 IonicContact OE1-NZ 3.67Å; E353-K365 PolarHBondContact OE1-NZ 2.74Å; V358-K365 HydrophobicContact CG1-CB 3.68Å; V358-K365 HydrophobicContact CG1-CD 4.33Å; V358-K365 HydrophobicContact CG1-CG 4.1Å; L360-K365 HydrophobicContact CD2-CG 4.23Å; K365-I378 HydrophobicContact CB-CD1 4.28Å; K365-I378 HydrophobicContact CB-CG1 3.87Å; K365-I378 VanDerWaalsContact O-CG1 3.25Å; K365-I378 WeakPolarHBondContact O-CG1 3.4Å; K365-I378 PolarHBondContact O-N 2.88Å; K365-V379 HydrophobicContact CB-CB 3.91Å; K365-V379 HydrophobicContact CB-CG2 4.19Å; K365-V379 HydrophobicContact CD-CB 4.1Å; K365-V379 HydrophobicContact CD-CG2 3.93Å; K365-V379 HydrophobicContact CG-CB 4.14Å; K365-V379 HydrophobicContact CG-CG2 4.44Å; K365-V379 PolarHBondContact N-O 3.41Å; K365-V379 PolarHBondContact O-N 2.8Å
366I94.6Very high90.6Very high4 Ų466.3 Ų66.32%0.02140%0.395CS..EExtended strand (participates in β ladder)trans-122.2154.5-176.764.4169.6000111.4V358 E359 D361 R364 F368 P375 L376V358-I366 WeakPolarHBondContact CA-O 3.15Å; E359-I366 HydrophobicContact CB-CG1 4.12Å; E359-I366 PolarHBondContact N-O 2.91Å; E359-I366 WeakPolarHBondContact O-CG1 3.19Å; E359-I366 PolarHBondContact O-N 3.15Å; D361-I366 HydrophobicContact CB-CD1 3.5Å; D361-I366 HydrophobicContact CB-CG1 3.99Å; R364-I366 HydrophobicContact CB-CG2 4.32Å; I366-F368 HydrophobicContact CD1-CD2 4.25Å; I366-F368 HydrophobicContact CD1-CE2 3.38Å; I366-F368 HydrophobicContact CD1-CZ 3.68Å; I366-F368 HydrophobicContact CG1-CE2 4.15Å; I366-P375 HydrophobicContact CB-CB 4.3Å; I366-P375 HydrophobicContact CD1-CB 4.34Å; I366-P375 HydrophobicContact CD1-CG 4.38Å; I366-L376 CarbonylContact C-O 3.57Å; I366-L376 WeakPolarHBondContact CA-O 3.26Å
367V94.1Very high90.7Very high0 Ų064.7 Ų64.70%037%0.372CS..EExtended strand (participates in β ladder)trans-125119.2177.2178.10000108.8F352 V358 V369 P375 L376 I378 M428F352-V367 HydrophobicContact CD1-CG1 4.02Å; F352-V367 HydrophobicContact CD1-CG2 3.87Å; F352-V367 HydrophobicContact CE1-CG1 3.97Å; F352-V367 HydrophobicContact CE1-CG2 4.4Å; F352-V367 HydrophobicContact CG-CG2 4.41Å; V358-V367 HydrophobicContact CG2-CG2 4.18Å; V367-V369 HydrophobicContact CG1-CG2 4.49Å; V367-P375 WeakPolarHBondContact O-CA 3.39Å; V367-L376 HydrophobicContact CB-CB 4.42Å; V367-L376 PolarHBondContact N-O 2.88Å; V367-L376 PolarHBondContact O-N 2.94Å; V367-I378 HydrophobicContact CG2-CD1 3.9Å; V367-I378 HydrophobicContact CG2-CG1 4.31Å; V367-I378 HydrophobicContact CG2-CG2 4.13Å; V367-M428 HydrophobicContact CG1-CE 3.65Å
368F93.1Very high90.6Very high96 Ų9662.4 Ų62.442%0.42136%0.36SS..PPolyproline II helixtrans-88123.7172.3-75-79.1000110.3E359 I366 P375E359-F368 HydrophobicContact CG-CD2 4.49Å; E359-F368 WeakPolarHBondContact OE2-CD2 3.2Å; E359-F368 VanDerWaalsContact OE2-CE2 3.29Å; E359-F368 WeakPolarHBondContact OE2-CE2 3.19Å; I366-F368 HydrophobicContact CD1-CD2 4.25Å; I366-F368 HydrophobicContact CD1-CE2 3.38Å; I366-F368 HydrophobicContact CD1-CZ 3.68Å; I366-F368 HydrophobicContact CG1-CE2 4.15Å; F368-P375 HydrophobicContact CD1-CB 3.8Å; F368-P375 HydrophobicContact CD1-CG 4.39Å; F368-P375 HydrophobicContact CE1-CB 3.71Å; F368-P375 HydrophobicContact CE1-CG 3.82Å; F368-P375 HydrophobicContact CG-CB 4.25Å; F368-P375 HydrophobicContact CZ-CB 4.1Å; F368-P375 HydrophobicContact CZ-CG 4.13Å
369V91.9Very high90.5Very high7 Ų761.4 Ų61.44%0.04235%0.354CS..PPolyproline II helixtrans-100.7126178.4-174.40000109.2V367 G371 Q372 V421 A424 A425V367-V369 HydrophobicContact CG1-CG2 4.49Å; V369-G371 PolarHBondContact O-N 2.99Å; V369-Q372 HydrophobicContact CB-CB 4.25Å; V369-Q372 HydrophobicContact CB-CG 4.09Å; V369-Q372 HydrophobicContact CG1-CG 4.14Å; V369-Q372 WeakPolarHBondContact O-CB 3.22Å; V369-Q372 PolarHBondContact O-N 3.45Å; V369-V421 HydrophobicContact CB-CG1 4.31Å; V369-V421 HydrophobicContact CG2-CG1 3.82Å; V369-A424 HydrophobicContact CG1-CB 3.46Å; V369-A424 VanDerWaalsContact CG1-CB 3.46Å; V369-A425 HydrophobicContact CG2-CB 3.75Å
370P86.9Confident90.2Very high102 Ų10260.6 Ų60.666%0.66235%0.349SS*.THydrogen-bonded Turntrans-54132.1178.3-27.434.1000112.4Q372 M428P370-Q372 VanDerWaalsContact C-N 3.29Å; P370-Q372 PolarHBondContact O-N 3.42Å; P370-M428 WeakPolarHBondContact CD-SD 3.45Å; P370-M428 HydrophobicContact CG-SD 4.14Å
371G84.3Confident89.9Confident85 Ų8558.3 Ų58.388%0.87634%0.344SS*.THydrogen-bonded Turntrans82.6-1.1-179.100000115V369V369-G371 PolarHBondContact O-N 2.99Å
372Q88Confident89.4Confident59 Ų5961.3 Ų61.328%0.27636%0.36SS..  trans-109.1143.6174.6-58.7-61.2-25.400110.9V369 P370 V421V369-Q372 HydrophobicContact CB-CB 4.25Å; V369-Q372 HydrophobicContact CB-CG 4.09Å; V369-Q372 HydrophobicContact CG1-CG 4.14Å; V369-Q372 WeakPolarHBondContact O-CB 3.22Å; V369-Q372 PolarHBondContact O-N 3.45Å; P370-Q372 VanDerWaalsContact C-N 3.29Å; P370-Q372 PolarHBondContact O-N 3.42Å; Q372-V421 HydrophobicContact CB-CG2 4.01Å; Q372-V421 HydrophobicContact CG-CB 4.45Å; Q372-V421 HydrophobicContact CG-CG1 4.47Å; Q372-V421 HydrophobicContact CG-CG2 3.89Å
373S84.1Confident89.1Confident111 Ų11156.1 Ų56.178%0.77635%0.349SS*.SBendtrans-88.1-17.9179.454.50000113.7
374I90.1Very high89Confident93 Ų9354.6 Ų54.648%0.47733%0.333SS..SBendtrans-113.4124.8-174.2-54175.8000108.7T417I374-T417 HydrophobicContact CD1-CG2 3.96Å
375P92.5Very high88.8Confident39 Ų3955 Ų5525%0.25334%0.335SS..  trans-78.2153.4174.431.6-33.4000111.8I366 V367 F368I366-P375 HydrophobicContact CB-CB 4.3Å; I366-P375 HydrophobicContact CD1-CB 4.34Å; I366-P375 HydrophobicContact CD1-CG 4.38Å; V367-P375 WeakPolarHBondContact O-CA 3.39Å; F368-P375 HydrophobicContact CD1-CB 3.8Å; F368-P375 HydrophobicContact CD1-CG 4.39Å; F368-P375 HydrophobicContact CE1-CB 3.71Å; F368-P375 HydrophobicContact CE1-CG 3.82Å; F368-P375 HydrophobicContact CG-CB 4.25Å; F368-P375 HydrophobicContact CZ-CB 4.1Å; F368-P375 HydrophobicContact CZ-CG 4.13Å
376L94.1Very high88.6Confident4 Ų453 Ų532%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-81.3134.3169.4-62.6174.6000109.6I366 V367 D388 L392 V421 I422 A425I366-L376 CarbonylContact C-O 3.57Å; I366-L376 WeakPolarHBondContact CA-O 3.26Å; V367-L376 HydrophobicContact CB-CB 4.42Å; V367-L376 PolarHBondContact N-O 2.88Å; V367-L376 PolarHBondContact O-N 2.94Å; L376-D388 HydrophobicContact CB-CB 4.24Å; L376-D388 HydrophobicContact CD2-CB 4.2Å; L376-L392 HydrophobicContact CD1-CD1 4.04Å; L376-L392 HydrophobicContact CD1-CD2 4.4Å; L376-L392 HydrophobicContact CD1-CG 4.45Å; L376-V421 HydrophobicContact CD1-CG1 4.02Å; L376-V421 HydrophobicContact CD2-CB 4.04Å; L376-V421 HydrophobicContact CD2-CG1 3.5Å; L376-V421 VanDerWaalsContact CD2-CG1 3.5Å; L376-V421 HydrophobicContact CG-CG1 3.51Å; L376-I422 HydrophobicContact CD1-CD1 3.9Å; L376-I422 HydrophobicContact CD2-CD1 3.79Å; L376-I422 HydrophobicContact CD2-CG1 4.23Å; L376-A425 HydrophobicContact CD1-CB 3.71Å
377T94.1Very high88.4Confident31 Ų3159.6 Ų59.619%0.1935%0.354CS..EExtended strand (participates in β ladder)trans-98.594.9174.1-58.80000109.3R364 T386 D388R364-T377 HydrophobicContact CB-CG2 4.42Å; T377-T386 HydrophobicContact CG2-CG2 4.25Å; T377-T386 WeakPolarHBondContact O-CB 3.49Å; T377-T386 WeakPolarHBondContact O-CG2 3.44Å; T377-T386 PolarHBondContact O-OG1 3.1Å; T377-D388 PolarHBondContact N-OD2 3.14Å
378I91.6Very high88.3Confident1 Ų159.9 Ų59.91%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-82.5-23.4-175.958.6167.5000113.7V349 F352 V358 K365 V367 T389 L392V349-I378 HydrophobicContact CG1-CD1 4.25Å; V349-I378 HydrophobicContact CG2-CB 4.36Å; V349-I378 HydrophobicContact CG2-CD1 4.42Å; F352-I378 HydrophobicContact CB-CD1 4.44Å; V358-I378 HydrophobicContact CG1-CD1 4.21Å; V358-I378 HydrophobicContact CG2-CD1 3.65Å; K365-I378 HydrophobicContact CB-CD1 4.28Å; K365-I378 HydrophobicContact CB-CG1 3.87Å; K365-I378 VanDerWaalsContact O-CG1 3.25Å; K365-I378 WeakPolarHBondContact O-CG1 3.4Å; K365-I378 PolarHBondContact O-N 2.88Å; V367-I378 HydrophobicContact CG2-CD1 3.9Å; V367-I378 HydrophobicContact CG2-CG1 4.31Å; V367-I378 HydrophobicContact CG2-CG2 4.13Å; I378-T389 PolarHBondContact O-OG1 2.83Å; I378-L392 HydrophobicContact CG2-CD1 3.9Å
379V91Very high88.3Confident12 Ų1255.3 Ų55.37%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-143.5130.5172.7-170.50000109.2V349 R364 K365 Y385V349-V379 HydrophobicContact CG1-CG2 3.75Å; V349-V379 HydrophobicContact CG2-CG2 3.95Å; R364-V379 WeakPolarHBondContact CA-O 3.44Å; K365-V379 HydrophobicContact CB-CB 3.91Å; K365-V379 HydrophobicContact CB-CG2 4.19Å; K365-V379 HydrophobicContact CD-CB 4.1Å; K365-V379 HydrophobicContact CD-CG2 3.93Å; K365-V379 HydrophobicContact CG-CB 4.14Å; K365-V379 HydrophobicContact CG-CG2 4.44Å; K365-V379 PolarHBondContact N-O 3.41Å; K365-V379 PolarHBondContact O-N 2.8Å; V379-Y385 HydrophobicContact CG2-CD1 4.24Å; V379-Y385 HydrophobicContact CG2-CE1 4.12Å
380K88.2Confident88.3Confident93 Ų9355.1 Ų55.140%0.40433%0.334SS..  trans-73.4169.3174-67.9-176.1-173.6-179.50111.7D382 G383 G384 T386K380-D382 WeakPolarHBondContact CB-OD1 3.42Å; K380-D382 PolarHBondContact O-N 2.97Å; K380-G383 PolarHBondContact O-N 2.9Å; K380-G384 PolarHBondContact N-O 3.29Å; K380-T386 HydrophobicContact CD-CG2 4.37Å; K380-T386 HydrophobicContact CG-CG2 3.75Å
381S84.8Confident88.7Confident90 Ų9050.9 Ų50.963%0.62931%0.306SS*.THydrogen-bonded Turntrans-62.1-23.2176.856.20000114.2G363 G383G363-S381 WeakPolarHBondContact O-CA 3.44Å; S381-G383 VanDerWaalsContact C-N 3.33Å
382D78.6Confident89.3Confident126 Ų12646.8 Ų46.867%0.67426%0.264SS*.THydrogen-bonded Turntrans-88.83.3175.963.8-0.8000113.3K380 G384K380-D382 WeakPolarHBondContact CB-OD1 3.42Å; K380-D382 PolarHBondContact O-N 2.97Å; D382-G384 VanDerWaalsContact C-N 3.28Å; D382-G384 PolarHBondContact O-N 2.8Å; D382-G384 PolarHBondContact OD1-N 2.57Å
383G80.3Confident89.7Confident48 Ų4844.1 Ų44.150%0.49525%0.252SS..SBendtrans81.8-0.2-176.200000114.4K380 S381K380-G383 PolarHBondContact O-N 2.9Å; S381-G383 VanDerWaalsContact C-N 3.33Å
384G82.6Confident90.2Very high18 Ų1838.8 Ų38.819%0.18622%0.215CC..  trans-74.1144.4178.600000113.4K380 D382K380-G384 PolarHBondContact N-O 3.29Å; D382-G384 VanDerWaalsContact C-N 3.28Å; D382-G384 PolarHBondContact O-N 2.8Å; D382-G384 PolarHBondContact OD1-N 2.57Å
385Y87.7Confident90.5Very high77 Ų7734.4 Ų34.430%0.30219%0.192SC..  trans-79.1156.8172.6-58.2-46.9000112.3M345 T346 V349 V379 T389M345-Y385 HydrophobicContact CB-CD2 3.96Å; M345-Y385 HydrophobicContact CB-CE2 4.07Å; M345-Y385 HydrophobicContact CB-CG 4.29Å; M345-Y385 HydrophobicContact CE-CD2 3.8Å; M345-Y385 HydrophobicContact CE-CG 4.31Å; M345-Y385 HydrophobicContact SD-CD2 4.2Å; M345-Y385 HydrophobicContact SD-CG 4.19Å; T346-Y385 WeakPolarHBondContact CA-OH 3.33Å; T346-Y385 WeakPolarHBondContact CB-OH 3.02Å; T346-Y385 PolarHBondContact OG1-OH 2.74Å; V349-Y385 HydrophobicContact CG2-CD1 4.28Å; V349-Y385 HydrophobicContact CG2-CE1 3.89Å; V379-Y385 HydrophobicContact CG2-CD1 4.24Å; V379-Y385 HydrophobicContact CG2-CE1 4.12Å; Y385-T389 HydrophobicContact CD1-CG2 3.86Å; Y385-T389 HydrophobicContact CG-CG2 4.11Å
386T89Confident90.7Very high17 Ų1735.3 Ų35.310%0.10419%0.19CC..  trans-116.9178.3-17763.50000111.4T377 K380 D388 T389 S390T377-T386 HydrophobicContact CG2-CG2 4.25Å; T377-T386 WeakPolarHBondContact O-CB 3.49Å; T377-T386 WeakPolarHBondContact O-CG2 3.44Å; T377-T386 PolarHBondContact O-OG1 3.1Å; K380-T386 HydrophobicContact CD-CG2 4.37Å; K380-T386 HydrophobicContact CG-CG2 3.75Å; T386-D388 VanDerWaalsContact C-N 3.27Å; T386-D388 PolarHBondContact O-N 3.4Å; T386-D388 WeakPolarHBondContact OG1-CB 3.38Å; T386-D388 PolarHBondContact OG1-N 2.85Å; T386-T389 PolarHBondContact N-OG1 3.22Å; T386-T389 VanDerWaalsContact N-OG1 3.16Å; T386-T389 WeakPolarHBondContact O-CB 3.39Å; T386-T389 PolarHBondContact O-N 3.38Å; T386-T389 VanDerWaalsContact O-N 3.1Å; T386-T389 PolarHBondContact O-OG1 3.49Å; T386-T389 PolarHBondContact OG1-N 2.84Å; T386-T389 PolarHBondContact OG1-OG1 3.35Å; T386-T389 VanDerWaalsContact OG1-OG1 3.04Å; T386-S390 PolarHBondContact O-N 3.47Å; T386-S390 VanDerWaalsContact O-N 3.16Å
387Y88.6Confident90.7Very high143 Ų14335.2 Ų35.256%0.56119%0.19SC*.Hα-helixtrans-61.6-33.9170.365.1-87.6000112.3T389 S390 D391 H418Y387-T389 PolarHBondContact O-N 3.2Å; Y387-S390 WeakPolarHBondContact CA-OG 3.49Å; Y387-S390 PolarHBondContact O-N 2.97Å; Y387-S390 PolarHBondContact O-OG 3.45Å; Y387-D391 WeakPolarHBondContact O-CB 3.49Å; Y387-D391 PolarHBondContact O-N 2.93Å; Y387-H418 AromaticContact CD2-CE1 3.39Å; Y387-H418 WeakPolarHBondContact CD2-CE1 3.23Å; Y387-H418 AromaticContact CD2-ND1 3.95Å; Y387-H418 AromaticContact CD2-NE2 3.62Å; Y387-H418 AromaticContact CE2-CE1 3.38Å; Y387-H418 WeakPolarHBondContact CE2-CE1 3.34Å; Y387-H418 AromaticContact CE2-ND1 3.47Å; Y387-H418 WeakPolarHBondContact CE2-ND1 3.3Å; Y387-H418 AromaticContact CE2-NE2 3.94Å
388D93Very high90.7Very high6 Ų633.7 Ų33.73%0.03218%0.181CC..Hα-helixtrans-57.7-37.5172.7-57.7-38.2000111.5L376 T377 T386 L392 H418L376-D388 HydrophobicContact CB-CB 4.24Å; L376-D388 HydrophobicContact CD2-CB 4.2Å; T377-D388 PolarHBondContact N-OD2 3.14Å; T386-D388 VanDerWaalsContact C-N 3.27Å; T386-D388 PolarHBondContact O-N 3.4Å; T386-D388 WeakPolarHBondContact OG1-CB 3.38Å; T386-D388 PolarHBondContact OG1-N 2.85Å; D388-L392 WeakPolarHBondContact O-CB 3.41Å; D388-L392 VanDerWaalsContact O-CG 3.24Å; D388-L392 WeakPolarHBondContact O-CG 3.32Å; D388-L392 PolarHBondContact O-N 3.43Å; D388-L392 VanDerWaalsContact O-N 3.1Å; D388-H418 IonicContact OD1-CE1 2.8Å; D388-H418 PolarHBondContact OD1-CE1 3.41Å; D388-H418 IonicContact OD1-ND1 3.52Å; D388-H418 PolarHBondContact OD1-ND1 2.86Å
389T92.6Very high90.9Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-74.7-42.8-177.3-36.80000111.2M345 V349 I378 Y385 T386 Y387 A393M345-T389 HydrophobicContact CB-CG2 3.74Å; M345-T389 HydrophobicContact CG-CG2 3.83Å; M345-T389 HydrophobicContact SD-CG2 3.87Å; V349-T389 HydrophobicContact CG2-CG2 3.8Å; I378-T389 PolarHBondContact O-OG1 2.83Å; Y385-T389 HydrophobicContact CD1-CG2 3.86Å; Y385-T389 HydrophobicContact CG-CG2 4.11Å; T386-T389 PolarHBondContact N-OG1 3.22Å; T386-T389 VanDerWaalsContact N-OG1 3.16Å; T386-T389 WeakPolarHBondContact O-CB 3.39Å; T386-T389 PolarHBondContact O-N 3.38Å; T386-T389 VanDerWaalsContact O-N 3.1Å; T386-T389 PolarHBondContact O-OG1 3.49Å; T386-T389 PolarHBondContact OG1-N 2.84Å; T386-T389 PolarHBondContact OG1-OG1 3.35Å; T386-T389 VanDerWaalsContact OG1-OG1 3.04Å; Y387-T389 PolarHBondContact O-N 3.2Å; T389-A393 WeakPolarHBondContact O-CB 3.47Å; T389-A393 PolarHBondContact O-N 2.96Å
390S93.1Very high91Very high2 Ų238.3 Ų38.31%0.01420%0.201CC..Hα-helixtrans-65.5-42.5178.155.40000111.3T386 Y387 A393 A394T386-S390 PolarHBondContact O-N 3.47Å; T386-S390 VanDerWaalsContact O-N 3.16Å; Y387-S390 WeakPolarHBondContact CA-OG 3.49Å; Y387-S390 PolarHBondContact O-N 2.97Å; Y387-S390 PolarHBondContact O-OG 3.45Å; S390-A393 PolarHBondContact O-N 3.08Å; S390-A394 WeakPolarHBondContact O-CB 3.47Å; S390-A394 PolarHBondContact O-N 3.29Å
391D95.3Very high91.2Very high13 Ų1337.8 Ų37.87%0.0720%0.199CC..Hα-helixtrans-70-38.8-179.6-74.6-27.4000112.6H240 Y387 A393 A394 L395 H418 I422H240-D391 IonicContact CD2-OD1 3.87Å; H240-D391 IonicContact NE2-OD1 2.68Å; Y387-D391 WeakPolarHBondContact O-CB 3.49Å; Y387-D391 PolarHBondContact O-N 2.93Å; D391-A393 VanDerWaalsContact C-N 3.34Å; D391-A394 PolarHBondContact O-N 2.8Å; D391-L395 WeakPolarHBondContact O-CB 3.5Å; D391-L395 PolarHBondContact O-N 3.21Å; D391-H418 IonicContact OD2-CD2 2.7Å; D391-H418 IonicContact OD2-CE1 3.33Å; D391-H418 IonicContact OD2-NE2 3.26Å; D391-H418 PolarHBondContact OD2-NE2 2.94Å; D391-I422 HydrophobicContact CB-CD1 4.16Å; D391-I422 HydrophobicContact CB-CG1 4.42Å; D391-I422 HydrophobicContact CB-CG2 4.5Å
392L96Very high91.5Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-61.8-43.3171-77.7171.9000111.4V348 F352 L376 I378 D388 A394 L395 R396 I422 A425 W431V348-L392 HydrophobicContact CG1-CB 3.98Å; F352-L392 HydrophobicContact CE2-CD1 4.03Å; F352-L392 HydrophobicContact CE2-CD2 4.41Å; F352-L392 HydrophobicContact CZ-CD1 4.15Å; F352-L392 HydrophobicContact CZ-CD2 4.15Å; L376-L392 HydrophobicContact CD1-CD1 4.04Å; L376-L392 HydrophobicContact CD1-CD2 4.4Å; L376-L392 HydrophobicContact CD1-CG 4.45Å; I378-L392 HydrophobicContact CG2-CD1 3.9Å; D388-L392 WeakPolarHBondContact O-CB 3.41Å; D388-L392 VanDerWaalsContact O-CG 3.24Å; D388-L392 WeakPolarHBondContact O-CG 3.32Å; D388-L392 PolarHBondContact O-N 3.43Å; D388-L392 VanDerWaalsContact O-N 3.1Å; L392-A394 VanDerWaalsContact C-N 3.34Å; L392-L395 PolarHBondContact O-N 2.55Å; L392-R396 WeakPolarHBondContact O-CB 3.44Å; L392-R396 PolarHBondContact O-N 2.82Å; L392-I422 HydrophobicContact CD2-CD1 4.07Å; L392-I422 HydrophobicContact CD2-CG2 4.18Å; L392-I422 HydrophobicContact CG-CD1 3.72Å; L392-A425 HydrophobicContact CD2-CB 4.02Å; L392-W431 HydrophobicContact CB-CH2 4.25Å; L392-W431 HydrophobicContact CB-CZ3 4.38Å; L392-W431 HydrophobicContact CD2-CH2 4.29Å; L392-W431 HydrophobicContact CD2-CZ3 3.97Å; L392-W431 WeakPolarHBondContact O-CZ3 3.23Å
393A95.8Very high92.2Very high2 Ų235.9 Ų35.92%0.01717%0.174CC..Hα-helixtrans-65.7-37.6176.700000112.5R344 M345 V348 T389 S390 D391 Q397R344-A393 HydrophobicContact CB-CB 4.33Å; M345-A393 HydrophobicContact CG-CB 3.8Å; V348-A393 HydrophobicContact CG2-CB 4Å; T389-A393 WeakPolarHBondContact O-CB 3.47Å; T389-A393 PolarHBondContact O-N 2.96Å; S390-A393 PolarHBondContact O-N 3.08Å; D391-A393 VanDerWaalsContact C-N 3.34Å; A393-Q397 VanDerWaalsContact O-CB 3.28Å; A393-Q397 WeakPolarHBondContact O-CB 3.2Å; A393-Q397 PolarHBondContact O-N 3.06Å
394A95.4Very high92.8Very high0 Ų033.8 Ų33.80%015%0.152CC..Hα-helixtrans-66.1-46.5174.800000111.6Y341 S390 D391 L392 R396 Q397 R398Y341-A394 HydrophobicContact CD1-CB 4.24Å; Y341-A394 HydrophobicContact CD2-CB 4.48Å; Y341-A394 HydrophobicContact CE1-CB 3.83Å; Y341-A394 HydrophobicContact CE2-CB 4.1Å; S390-A394 WeakPolarHBondContact O-CB 3.47Å; S390-A394 PolarHBondContact O-N 3.29Å; D391-A394 PolarHBondContact O-N 2.8Å; L392-A394 VanDerWaalsContact C-N 3.34Å; A394-R396 PolarHBondContact O-N 2.85Å; A394-Q397 PolarHBondContact O-N 3.32Å; A394-R398 WeakPolarHBondContact O-CB 3.43Å; A394-R398 WeakPolarHBondContact O-CD 3.18Å; A394-R398 WeakPolarHBondContact O-CG 3.28Å; A394-R398 PolarHBondContact O-N 2.98Å
395L96.1Very high93.3Very high0 Ų035.9 Ų35.90%016%0.159CC..Hα-helixtrans-57.4-49.9175.6178.561.5000110.8D391 L392 Q397 R398 L399 I422 F423 W431 Y432 V439D391-L395 WeakPolarHBondContact O-CB 3.5Å; D391-L395 PolarHBondContact O-N 3.21Å; L392-L395 PolarHBondContact O-N 2.55Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 2.66Å; L395-R398 PolarHBondContact O-N 3.36Å; L395-L399 HydrophobicContact CD1-CD1 3.85Å; L395-L399 HydrophobicContact CD1-CG 4.16Å; L395-L399 HydrophobicContact CG-CD1 3.89Å; L395-L399 VanDerWaalsContact O-CG 3.28Å; L395-L399 WeakPolarHBondContact O-CG 3.48Å; L395-L399 PolarHBondContact O-N 2.98Å; L395-I422 HydrophobicContact CD2-CG2 4.07Å; L395-F423 HydrophobicContact CD2-CD1 4.4Å; L395-W431 HydrophobicContact CD2-CE3 4.35Å; L395-W431 HydrophobicContact CG-CE3 4.46Å; L395-Y432 HydrophobicContact CD2-CE1 4.48Å; L395-V439 HydrophobicContact CD1-CG1 4.04Å; L395-V439 HydrophobicContact CD1-CG2 4.4Å
396R95.9Very high93.7Very high59 Ų5932.7 Ų32.722%0.22315%0.147CC..Hα-helixtrans-58.9-44.6177.9-167.4-170.3174.8-63.7-0.5111.8V348 E351 L392 A394 R398 L399 F400 W431V348-R396 HydrophobicContact CG2-CB 4.5Å; E351-R396 IonicContact OE2-CZ 3.59Å; E351-R396 IonicContact OE2-NE 2.69Å; E351-R396 PolarHBondContact OE2-NE 3.26Å; E351-R396 IonicContact OE2-NH2 3.62Å; L392-R396 WeakPolarHBondContact O-CB 3.44Å; L392-R396 PolarHBondContact O-N 2.82Å; A394-R396 PolarHBondContact O-N 2.85Å; R396-R398 PolarHBondContact O-N 3.07Å; R396-L399 PolarHBondContact O-N 3.39Å; R396-F400 HydrophobicContact CG-CD2 3.62Å; R396-F400 HydrophobicContact CG-CE2 3.98Å; R396-F400 VanDerWaalsContact O-CD2 3.32Å; R396-F400 WeakPolarHBondContact O-CD2 3.38Å; R396-F400 PolarHBondContact O-N 2.75Å; R396-W431 HydrophobicContact CB-CD2 4.29Å; R396-W431 HydrophobicContact CB-CE3 4.06Å; R396-W431 HydrophobicContact CB-CH2 3.76Å; R396-W431 HydrophobicContact CB-CZ2 4Å; R396-W431 HydrophobicContact CB-CZ3 3.8Å; R396-W431 HydrophobicContact CG-CD2 4.16Å; R396-W431 HydrophobicContact CG-CE3 4.44Å; R396-W431 HydrophobicContact CG-CH2 4.17Å; R396-W431 HydrophobicContact CG-CZ2 3.86Å; R396-W431 HydrophobicContact CG-CZ3 4.45Å
397Q95.3Very high94Very high1 Ų131.9 Ų31.91%0.00514%0.142CC..Hα-helixtrans-61.9-44.6179.3-171.9-83.9-27.800111.7F340 Y341 A393 A394 L395 L399 E401 E402F340-Q397 HydrophobicContact CE1-CG 4.17Å; Y341-Q397 HydrophobicContact CD1-CB 4.3Å; Y341-Q397 HydrophobicContact CE1-CB 3.94Å; Y341-Q397 HydrophobicContact CE1-CG 4.11Å; A393-Q397 VanDerWaalsContact O-CB 3.28Å; A393-Q397 WeakPolarHBondContact O-CB 3.2Å; A393-Q397 PolarHBondContact O-N 3.06Å; A394-Q397 PolarHBondContact O-N 3.32Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 2.66Å; Q397-L399 VanDerWaalsContact C-N 3.31Å; Q397-L399 PolarHBondContact O-N 3.18Å; Q397-E401 HydrophobicContact CG-CB 4.26Å; Q397-E401 HydrophobicContact CG-CG 4.27Å; Q397-E401 WeakPolarHBondContact CG-OE2 3.37Å; Q397-E401 PolarHBondContact NE2-OE2 2.78Å; Q397-E401 WeakPolarHBondContact O-CA 3.26Å; Q397-E401 VanDerWaalsContact O-CB 3.31Å; Q397-E401 WeakPolarHBondContact O-CB 3.36Å; Q397-E401 PolarHBondContact O-N 3.44Å; Q397-E402 PolarHBondContact NE2-OE1 2.89Å; Q397-E402 PolarHBondContact O-N 3.5Å; Q397-E402 VanDerWaalsContact O-N 3.12Å
398R94.6Very high94.4Very high0 Ų025.1 Ų25.10%012%0.116CC..Hα-helixtrans-64.4-34.3178.6-68.1166.8-168.1-1722.6112.5I195 D197 L238 A394 L395 R396 E402 K403 A404 V407 Y409I195-R398 HydrophobicContact CD1-CB 4.01Å; I195-R398 HydrophobicContact CD1-CG 3.99Å; I195-R398 HydrophobicContact CG2-CG 4.43Å; D197-R398 IonicContact OD2-CZ 2.91Å; D197-R398 VanDerWaalsContact OD2-CZ 3.26Å; D197-R398 IonicContact OD2-NH1 3.79Å; D197-R398 PolarHBondContact OD2-NH1 3.35Å; D197-R398 IonicContact OD2-NH2 3.96Å; D197-R398 PolarHBondContact OD2-NH2 3.02Å; L238-R398 HydrophobicContact CD1-CG 4.41Å; A394-R398 WeakPolarHBondContact O-CB 3.43Å; A394-R398 WeakPolarHBondContact O-CD 3.18Å; A394-R398 WeakPolarHBondContact O-CG 3.28Å; A394-R398 PolarHBondContact O-N 2.98Å; L395-R398 PolarHBondContact O-N 3.36Å; R396-R398 PolarHBondContact O-N 3.07Å; R398-E402 WeakPolarHBondContact O-CB 3.26Å; R398-K403 PolarHBondContact O-N 2.89Å; R398-A404 PolarHBondContact O-N 3.24Å; R398-A404 VanDerWaalsContact O-N 3.13Å; R398-V407 HydrophobicContact CB-CG2 4.39Å; R398-Y409 PolarHBondContact NH1-OH 3.43Å
399L94.6Very high94.6Very high18 Ų1824.9 Ų24.99%0.09411%0.114CC..Hα-helixtrans-78.5-46178.5-67.3172.3000112.9L395 R396 Q397 K403 W431 Y432 T437 V439L395-L399 HydrophobicContact CD1-CD1 3.85Å; L395-L399 HydrophobicContact CD1-CG 4.16Å; L395-L399 HydrophobicContact CG-CD1 3.89Å; L395-L399 VanDerWaalsContact O-CG 3.28Å; L395-L399 WeakPolarHBondContact O-CG 3.48Å; L395-L399 PolarHBondContact O-N 2.98Å; R396-L399 PolarHBondContact O-N 3.39Å; Q397-L399 VanDerWaalsContact C-N 3.31Å; Q397-L399 PolarHBondContact O-N 3.18Å; L399-K403 VanDerWaalsContact O-CA 3.26Å; L399-K403 WeakPolarHBondContact O-CA 3.18Å; L399-K403 PolarHBondContact O-N 2.95Å; L399-W431 HydrophobicContact CD1-CB 3.98Å; L399-Y432 HydrophobicContact CD1-CD1 3.66Å; L399-Y432 HydrophobicContact CD1-CG 4.11Å; L399-Y432 HydrophobicContact CD2-CG 4.42Å; L399-T437 HydrophobicContact CD2-CG2 3.75Å; L399-V439 HydrophobicContact CD2-CG2 4.35Å
400F94.2Very high94.8Very high92 Ų9224.9 Ų24.940%0.40412%0.115SC..Hα-helixtrans-96.1-38.7-170.5-71.4-80.3000114.4R396 W431R396-F400 HydrophobicContact CG-CD2 3.62Å; R396-F400 HydrophobicContact CG-CE2 3.98Å; R396-F400 VanDerWaalsContact O-CD2 3.32Å; R396-F400 WeakPolarHBondContact O-CD2 3.38Å; R396-F400 PolarHBondContact O-N 2.75Å; F400-W431 HydrophobicContact CE2-CB 3.78Å; F400-W431 AromaticContact CE2-CD1 3.51Å; F400-W431 HydrophobicContact CE2-CD2 4.36Å; F400-W431 AromaticContact CE2-CG 3.62Å; F400-W431 HydrophobicContact CE2-CG 3.62Å; F400-W431 HydrophobicContact CZ-CB 4.16Å; F400-W431 AromaticContact CZ-CD1 3.79Å; F400-W431 HydrophobicContact CZ-CG 4.17Å
401E92.7Very high94.8Very high81 Ų8125.9 Ų25.938%0.37912%0.12SC..THydrogen-bonded Turntrans-87-51.1-179.8-61.6179.1-155.700110.2R344 Q397R344-E401 IonicContact CZ-OE1 3.83Å; R344-E401 IonicContact CZ-OE2 2.69Å; R344-E401 IonicContact NE-OE1 2.86Å; R344-E401 PolarHBondContact NE-OE1 3.34Å; R344-E401 IonicContact NE-OE2 3.54Å; R344-E401 PolarHBondContact NE-OE2 3.35Å; R344-E401 IonicContact NH2-OE1 3.76Å; R344-E401 PolarHBondContact NH2-OE1 3.01Å; R344-E401 IonicContact NH2-OE2 3.83Å; R344-E401 PolarHBondContact NH2-OE2 2.99Å; Q397-E401 HydrophobicContact CG-CB 4.26Å; Q397-E401 HydrophobicContact CG-CG 4.27Å; Q397-E401 WeakPolarHBondContact CG-OE2 3.37Å; Q397-E401 PolarHBondContact NE2-OE2 2.78Å; Q397-E401 WeakPolarHBondContact O-CA 3.26Å; Q397-E401 VanDerWaalsContact O-CB 3.31Å; Q397-E401 WeakPolarHBondContact O-CB 3.36Å; Q397-E401 PolarHBondContact O-N 3.44Å
402E91.1Very high94.7Very high25 Ų2527.4 Ų27.412%0.11713%0.129CC..SBendtrans-80.5-19.1179.5-54.1-61.6167.700113R193 I195 V235 R336 Q397 R398 A404R193-E402 WeakPolarHBondContact CD-O 3.31Å; R193-E402 PolarHBondContact NH1-O 3.46Å; I195-E402 HydrophobicContact CD1-CB 3.58Å; I195-E402 HydrophobicContact CD1-CG 3.88Å; V235-E402 VanDerWaalsContact CG1-CD 3.48Å; V235-E402 HydrophobicContact CG1-CG 4.25Å; V235-E402 VanDerWaalsContact CG1-OE2 3.3Å; V235-E402 WeakPolarHBondContact CG1-OE2 3.2Å; R336-E402 IonicContact CZ-OE1 3.55Å; R336-E402 IonicContact NH1-OE1 2.91Å; R336-E402 PolarHBondContact NH1-OE1 3.37Å; R336-E402 IonicContact NH2-OE1 3.96Å; Q397-E402 PolarHBondContact NE2-OE1 2.89Å; Q397-E402 PolarHBondContact O-N 3.5Å; Q397-E402 VanDerWaalsContact O-N 3.12Å; R398-E402 WeakPolarHBondContact O-CB 3.26Å; E402-A404 VanDerWaalsContact C-N 3.26Å; E402-A404 PolarHBondContact O-N 2.86Å
403K92.5Very high94.6Very high151 Ų15129.8 Ų29.866%0.65715%0.145SC*.  trans52.445.8179.5-57.1-178.1179.9-179.50112.3R398 L399R398-K403 PolarHBondContact O-N 2.89Å; L399-K403 VanDerWaalsContact O-CA 3.26Å; L399-K403 WeakPolarHBondContact O-CA 3.18Å; L399-K403 PolarHBondContact O-N 2.95Å
404A93.1Very high94.3Very high4 Ų432.9 Ų32.93%0.03318%0.178CC..  trans-68.1135.917800000111.1I195 R398 E402 V407 T437I195-A404 HydrophobicContact CB-CB 4.48Å; I195-A404 HydrophobicContact CD1-CB 3.74Å; I195-A404 HydrophobicContact CG1-CB 3.91Å; R398-A404 PolarHBondContact O-N 3.24Å; R398-A404 VanDerWaalsContact O-N 3.13Å; E402-A404 VanDerWaalsContact C-N 3.26Å; E402-A404 PolarHBondContact O-N 2.86Å; A404-V407 HydrophobicContact CB-CG2 3.6Å; A404-T437 WeakPolarHBondContact O-CG2 3.28Å
405D93.4Very high94.1Very high62 Ų6237.2 Ų37.233%0.33220%0.198SC..SBendtrans-83.8-28.7170.6-60.1-77.8000111K192 R193 T437 R438K192-D405 WeakPolarHBondContact CA-OD2 3.49Å; K192-D405 HydrophobicContact CB-CB 3.91Å; K192-D405 WeakPolarHBondContact CB-OD2 3.47Å; K192-D405 HydrophobicContact CD-CB 4.18Å; K192-D405 HydrophobicContact CG-CB 4.13Å; R193-D405 PolarHBondContact N-OD2 2.73Å; R193-D405 PolarHBondContact O-N 2.83Å; D405-T437 WeakPolarHBondContact O-CA 3.4Å; D405-T437 WeakPolarHBondContact O-CG2 3.4Å; D405-R438 PolarHBondContact O-N 3.23Å
406I94.6Very high93.9Very high11 Ų1137.6 Ų37.66%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-135.3129.2179.1-49.6-179.5000109R193 V194 I195 F225 Y230 I408 R438R193-I406 PolarHBondContact O-N 3.23Å; R193-I406 VanDerWaalsContact O-N 3.15Å; V194-I406 WeakPolarHBondContact CA-O 3.17Å; V194-I406 HydrophobicContact CB-CB 4.4Å; V194-I406 HydrophobicContact CG1-CB 4.08Å; V194-I406 HydrophobicContact CG1-CG2 4.18Å; V194-I406 HydrophobicContact CG2-CB 4.03Å; V194-I406 HydrophobicContact CG2-CD1 4.05Å; V194-I406 HydrophobicContact CG2-CG1 4.29Å; I195-I406 PolarHBondContact N-O 3.09Å; F225-I406 HydrophobicContact CE1-CD1 4.41Å; Y230-I406 HydrophobicContact CE1-CD1 4.11Å; I406-I408 HydrophobicContact CG2-CD1 4.11Å; I406-I408 HydrophobicContact CG2-CG1 3.88Å; I406-R438 CarbonylContact C-O 3.52Å; I406-R438 VanDerWaalsContact CA-O 3.25Å; I406-R438 WeakPolarHBondContact CA-O 3.43Å; I406-R438 HydrophobicContact CG1-CB 4.29Å; I406-R438 HydrophobicContact CG2-CB 4.18Å; I406-R438 HydrophobicContact CG2-CG 4.26Å
407V95.9Very high93.7Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-126.3120.5174.5-169.70000109I195 R398 A404 Y409 R438 V439 E440I195-V407 HydrophobicContact CB-CG1 4.45Å; I195-V407 CarbonylContact O-C 3.48Å; I195-V407 WeakPolarHBondContact O-CA 3.13Å; R398-V407 HydrophobicContact CB-CG2 4.39Å; A404-V407 HydrophobicContact CB-CG2 3.6Å; V407-Y409 HydrophobicContact CB-CE2 4.25Å; V407-Y409 HydrophobicContact CG1-CD2 4.08Å; V407-Y409 HydrophobicContact CG1-CE2 3.39Å; V407-R438 PolarHBondContact N-O 3.31Å; V407-V439 HydrophobicContact CB-CG1 4.48Å; V407-V439 HydrophobicContact CB-CG2 4.4Å; V407-V439 WeakPolarHBondContact O-CA 3.3Å; V407-E440 PolarHBondContact O-N 3.26Å
408I96.7Very high93.7Very high0 Ų039.4 Ų39.40%022%0.217CC..EExtended strand (participates in β ladder)trans-117.5123.4-176-56174.6000108.9V194 I195 V196 D197 M221 F225 I406 V410 E440 A442 L595V194-I408 HydrophobicContact CG1-CD1 4.33Å; I195-I408 PolarHBondContact O-N 2.8Å; V196-I408 WeakPolarHBondContact CA-O 3.21Å; V196-I408 HydrophobicContact CG1-CB 4.44Å; V196-I408 HydrophobicContact CG2-CB 4.43Å; V196-I408 HydrophobicContact CG2-CD1 4.43Å; D197-I408 PolarHBondContact N-O 3.26Å; M221-I408 HydrophobicContact SD-CG2 4.13Å; F225-I408 HydrophobicContact CD2-CD1 4.37Å; F225-I408 HydrophobicContact CE2-CD1 3.29Å; F225-I408 HydrophobicContact CZ-CD1 3.54Å; I406-I408 HydrophobicContact CG2-CD1 4.11Å; I406-I408 HydrophobicContact CG2-CG1 3.88Å; I408-V410 HydrophobicContact CG2-CG2 4.08Å; I408-E440 WeakPolarHBondContact CA-O 3.33Å; I408-A442 HydrophobicContact CG2-CB 3.68Å; I408-L595 HydrophobicContact CD1-CD1 3.93Å; I408-L595 HydrophobicContact CD1-CD2 4.05Å; I408-L595 HydrophobicContact CG1-CD1 4.27Å; I408-L595 HydrophobicContact CG2-CD1 4.16Å
409Y97.1Very high93.7Very high1 Ų139.7 Ų39.70%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-103.6107.2177.6-68.2-100.1000109.7D197 R398 V407 V411 F419 F423 V439 E440 H441 A442D197-Y409 HydrophobicContact CB-CD1 4.26Å; R398-Y409 PolarHBondContact NH1-OH 3.43Å; V407-Y409 HydrophobicContact CB-CE2 4.25Å; V407-Y409 HydrophobicContact CG1-CD2 4.08Å; V407-Y409 HydrophobicContact CG1-CE2 3.39Å; Y409-V411 PolarHBondContact O-N 2.95Å; Y409-F419 AromaticContact CD1-CD1 3.93Å; Y409-F419 HydrophobicContact CD1-CD1 3.93Å; Y409-F419 AromaticContact CD1-CE1 3.29Å; Y409-F419 HydrophobicContact CD1-CE1 3.29Å; Y409-F419 AromaticContact CD1-CZ 3.92Å; Y409-F419 HydrophobicContact CD1-CZ 3.92Å; Y409-F419 HydrophobicContact CE1-CD1 4.34Å; Y409-F419 AromaticContact CE1-CE1 3.71Å; Y409-F419 HydrophobicContact CE1-CE1 3.71Å; Y409-F419 HydrophobicContact CG-CD1 4.11Å; Y409-F419 AromaticContact CG-CE1 3.89Å; Y409-F419 HydrophobicContact CG-CE1 3.89Å; Y409-F423 AromaticContact CD2-CE1 3.69Å; Y409-F423 HydrophobicContact CD2-CE1 3.69Å; Y409-F423 AromaticContact CD2-CZ 3.46Å; Y409-F423 HydrophobicContact CD2-CZ 3.46Å; Y409-F423 VanDerWaalsContact CD2-CZ 3.46Å; Y409-F423 AromaticContact CE2-CE1 3.54Å; Y409-F423 HydrophobicContact CE2-CE1 3.54Å; Y409-F423 AromaticContact CE2-CZ 3.84Å; Y409-F423 HydrophobicContact CE2-CZ 3.84Å; Y409-F423 HydrophobicContact CG-CE1 4.38Å; Y409-F423 HydrophobicContact CG-CZ 4.06Å; Y409-V439 HydrophobicContact CD2-CG1 4.45Å; Y409-V439 HydrophobicContact CE2-CG1 3.95Å; Y409-E440 PolarHBondContact N-O 3.3Å; Y409-H441 PolarHBondContact O-CD2 3.14Å; Y409-A442 WeakPolarHBondContact O-CA 3.35Å; Y409-A442 PolarHBondContact O-N 2.56Å
410V96.8Very high93.7Very high1 Ų143.9 Ų43.91%0.00624%0.238CC..  trans-94.384.4-177.6-169.60000109.7V196 D197 F198 S214 I217 M221 I408 A442 F444V196-V410 HydrophobicContact CG1-CG2 3.7Å; D197-V410 WeakPolarHBondContact O-CB 3.44Å; D197-V410 PolarHBondContact O-N 3.16Å; F198-V410 HydrophobicContact CB-CB 3.94Å; F198-V410 HydrophobicContact CB-CG2 4.19Å; S214-V410 WeakPolarHBondContact CB-O 3.28Å; S214-V410 PolarHBondContact OG-O 3.23Å; I217-V410 HydrophobicContact CB-CG1 4.09Å; I217-V410 HydrophobicContact CG2-CG1 3.87Å; M221-V410 HydrophobicContact SD-CG2 4.12Å; I408-V410 HydrophobicContact CG2-CG2 4.08Å; V410-A442 HydrophobicContact CG2-CB 4.09Å; V410-F444 HydrophobicContact CG1-CD1 4.24Å; V410-F444 HydrophobicContact CG1-CE1 4.26Å
411V94.4Very high93.7Very high22 Ų2239.7 Ų39.713%0.13322%0.22CC..  trans-132.8154.8-173.9-171.10000110.6Y409 Q415 F419 H441 G443 F444Y409-V411 PolarHBondContact O-N 2.95Å; V411-Q415 HydrophobicContact CG1-CB 4.03Å; V411-Q415 VanDerWaalsContact CG1-CD 3.42Å; V411-Q415 HydrophobicContact CG1-CG 4.09Å; V411-F419 HydrophobicContact CB-CE2 3.86Å; V411-F419 HydrophobicContact CG1-CE2 4Å; V411-F419 HydrophobicContact CG2-CE2 3.74Å; V411-F419 HydrophobicContact CG2-CZ 3.93Å; V411-H441 PolarHBondContact O-NE2 2.89Å; V411-G443 VanDerWaalsContact O-CA 3.3Å; V411-G443 WeakPolarHBondContact O-CA 3.36Å; V411-F444 PolarHBondContact O-N 3.43Å
412D93.4Very high93.9Very high46 Ų4635.9 Ų35.925%0.24620%0.202CC..BIsolated β-bridgetrans-50.6142.3176.7-176108.4000112.3G414 Q415 F444D412-G414 PolarHBondContact O-N 3.26Å; D412-G414 VanDerWaalsContact O-N 3.16Å; D412-G414 WeakPolarHBondContact OD2-CA 3.45Å; D412-G414 PolarHBondContact OD2-N 3.19Å; D412-Q415 PolarHBondContact O-N 2.9Å; D412-F444 HydrophobicContact CB-CE2 4.02Å; D412-F444 HydrophobicContact CB-CZ 4.17Å
413S92.4Very high94.1Very high50 Ų5035.5 Ų35.535%0.3520%0.2SC..G310 helixtrans-62.1-22.7-176.8-58.10000113.5Q415 G416 F444S413-Q415 PolarHBondContact O-N 3.37Å; S413-G416 PolarHBondContact O-N 3.09Å; S413-F444 WeakPolarHBondContact CB-O 3.4Å; S413-F444 PolarHBondContact N-O 3.36Å; S413-F444 PolarHBondContact OG-N 3.42Å; S413-F444 PolarHBondContact OG-O 3.03Å
414G90.4Very high94.3Very high67 Ų6729.2 Ų29.269%0.69118%0.176SC*.G310 helixtrans-62.6-19.4173.100000113.9D412D412-G414 PolarHBondContact O-N 3.26Å; D412-G414 VanDerWaalsContact O-N 3.16Å; D412-G414 WeakPolarHBondContact OD2-CA 3.45Å; D412-G414 PolarHBondContact OD2-N 3.19Å
415Q90.8Very high94.4Very high91 Ų9129 Ų2943%0.42517%0.174SC..G310 helixtrans-95.75.8173.1-58.8-172.640.400113V411 D412 S413 T417 H418 F419V411-Q415 HydrophobicContact CG1-CB 4.03Å; V411-Q415 VanDerWaalsContact CG1-CD 3.42Å; V411-Q415 HydrophobicContact CG1-CG 4.09Å; D412-Q415 PolarHBondContact O-N 2.9Å; S413-Q415 PolarHBondContact O-N 3.37Å; Q415-T417 VanDerWaalsContact C-N 3.34Å; Q415-T417 PolarHBondContact O-N 3.4Å; Q415-H418 WeakPolarHBondContact O-CB 3.4Å; Q415-H418 PolarHBondContact O-N 3.47Å; Q415-H418 VanDerWaalsContact O-N 3.15Å; Q415-F419 HydrophobicContact CB-CD2 4.22Å; Q415-F419 HydrophobicContact CB-CE2 4.19Å; Q415-F419 WeakPolarHBondContact O-CD2 3.15Å; Q415-F419 PolarHBondContact O-N 3.35Å
416G91.6Very high94.5Very high8 Ų826 Ų268%0.08216%0.159CC..Hα-helixtrans-58.9-42.4-176.500000113.4S413 H418 F419 Q420 H441S413-G416 PolarHBondContact O-N 3.09Å; G416-H418 VanDerWaalsContact C-N 3.32Å; G416-H418 PolarHBondContact O-N 3.44Å; G416-F419 PolarHBondContact O-N 3.15Å; G416-Q420 WeakPolarHBondContact O-CB 3.42Å; G416-Q420 VanDerWaalsContact O-CG 3.26Å; G416-Q420 WeakPolarHBondContact O-CG 3.46Å; G416-Q420 PolarHBondContact O-N 3.13Å; G416-H441 VanDerWaalsContact CA-CE1 3.48Å; G416-H441 WeakPolarHBondContact CA-CE1 3.35Å
417T92.7Very high94.5Very high71 Ų7129.5 Ų29.544%0.43618%0.175SC..Hα-helixtrans-60.3-42.8177-49.70000111.5I374 Q415 Q420 V421I374-T417 HydrophobicContact CD1-CG2 3.96Å; Q415-T417 VanDerWaalsContact C-N 3.34Å; Q415-T417 PolarHBondContact O-N 3.4Å; T417-Q420 PolarHBondContact O-N 3.31Å; T417-V421 VanDerWaalsContact O-CG2 3.24Å; T417-V421 WeakPolarHBondContact O-CG2 3.5Å; T417-V421 PolarHBondContact O-N 3.37Å; T417-V421 VanDerWaalsContact O-N 3.09Å
418H94.7Very high94.4Very high26 Ų2632.4 Ų32.412%0.1219%0.189CC..Hα-helixtrans-58-54.2177.7172.957.9000111.6Y387 D388 D391 Q415 G416 Q420 V421 I422Y387-H418 AromaticContact CD2-CE1 3.39Å; Y387-H418 WeakPolarHBondContact CD2-CE1 3.23Å; Y387-H418 AromaticContact CD2-ND1 3.95Å; Y387-H418 AromaticContact CD2-NE2 3.62Å; Y387-H418 AromaticContact CE2-CE1 3.38Å; Y387-H418 WeakPolarHBondContact CE2-CE1 3.34Å; Y387-H418 AromaticContact CE2-ND1 3.47Å; Y387-H418 WeakPolarHBondContact CE2-ND1 3.3Å; Y387-H418 AromaticContact CE2-NE2 3.94Å; D388-H418 IonicContact OD1-CE1 2.8Å; D388-H418 PolarHBondContact OD1-CE1 3.41Å; D388-H418 IonicContact OD1-ND1 3.52Å; D388-H418 PolarHBondContact OD1-ND1 2.86Å; D391-H418 IonicContact OD2-CD2 2.7Å; D391-H418 IonicContact OD2-CE1 3.33Å; D391-H418 IonicContact OD2-NE2 3.26Å; D391-H418 PolarHBondContact OD2-NE2 2.94Å; Q415-H418 WeakPolarHBondContact O-CB 3.4Å; Q415-H418 PolarHBondContact O-N 3.47Å; Q415-H418 VanDerWaalsContact O-N 3.15Å; G416-H418 VanDerWaalsContact C-N 3.32Å; G416-H418 PolarHBondContact O-N 3.44Å; H418-Q420 VanDerWaalsContact C-N 3.33Å; H418-Q420 PolarHBondContact O-N 3.06Å; H418-V421 PolarHBondContact O-N 2.7Å; H418-V421 VanDerWaalsContact O-N 3.12Å; H418-I422 VanDerWaalsContact CE1-CG1 3.49Å; H418-I422 WeakPolarHBondContact CE1-CG1 3.17Å; H418-I422 WeakPolarHBondContact O-CG1 3.28Å; H418-I422 PolarHBondContact O-N 3.31Å
419F95.1Very high94.3Very high6 Ų632.8 Ų32.83%0.02619%0.191CC..Hα-helixtrans-63.5-36.6179.9-79.2-69.8000113.1Y409 V411 Q415 G416 V421 I422 F423 H441Y409-F419 AromaticContact CD1-CD1 3.93Å; Y409-F419 HydrophobicContact CD1-CD1 3.93Å; Y409-F419 AromaticContact CD1-CE1 3.29Å; Y409-F419 HydrophobicContact CD1-CE1 3.29Å; Y409-F419 AromaticContact CD1-CZ 3.92Å; Y409-F419 HydrophobicContact CD1-CZ 3.92Å; Y409-F419 HydrophobicContact CE1-CD1 4.34Å; Y409-F419 AromaticContact CE1-CE1 3.71Å; Y409-F419 HydrophobicContact CE1-CE1 3.71Å; Y409-F419 HydrophobicContact CG-CD1 4.11Å; Y409-F419 AromaticContact CG-CE1 3.89Å; Y409-F419 HydrophobicContact CG-CE1 3.89Å; V411-F419 HydrophobicContact CB-CE2 3.86Å; V411-F419 HydrophobicContact CG1-CE2 4Å; V411-F419 HydrophobicContact CG2-CE2 3.74Å; V411-F419 HydrophobicContact CG2-CZ 3.93Å; Q415-F419 HydrophobicContact CB-CD2 4.22Å; Q415-F419 HydrophobicContact CB-CE2 4.19Å; Q415-F419 WeakPolarHBondContact O-CD2 3.15Å; Q415-F419 PolarHBondContact O-N 3.35Å; G416-F419 PolarHBondContact O-N 3.15Å; F419-V421 VanDerWaalsContact C-N 3.31Å; F419-V421 PolarHBondContact O-N 3.04Å; F419-I422 PolarHBondContact O-N 3.34Å; F419-F423 HydrophobicContact CB-CE1 4.33Å; F419-F423 HydrophobicContact CB-CE2 3.97Å; F419-F423 HydrophobicContact CB-CZ 3.83Å; F419-F423 AromaticContact CD1-CE1 3.86Å; F419-F423 HydrophobicContact CD1-CE1 3.86Å; F419-F423 AromaticContact CD1-CZ 3.82Å; F419-F423 HydrophobicContact CD1-CZ 3.82Å; F419-F423 HydrophobicContact CG-CZ 4.17Å; F419-F423 WeakPolarHBondContact O-CB 3.45Å; F419-F423 WeakPolarHBondContact O-CD1 3.48Å; F419-F423 VanDerWaalsContact O-CD2 3.29Å; F419-F423 WeakPolarHBondContact O-CD2 3.31Å; F419-F423 WeakPolarHBondContact O-CG 3.49Å; F419-F423 PolarHBondContact O-N 3.47Å; F419-H441 HydrophobicContact CB-CB 4.3Å
420Q93.9Very high94.2Very high107 Ų10735.6 Ų35.650%0.522%0.22SC..Hα-helixtrans-59.3-42.3174-74.7173.25.500111.8G416 T417 H418 A424G416-Q420 WeakPolarHBondContact O-CB 3.42Å; G416-Q420 VanDerWaalsContact O-CG 3.26Å; G416-Q420 WeakPolarHBondContact O-CG 3.46Å; G416-Q420 PolarHBondContact O-N 3.13Å; T417-Q420 PolarHBondContact O-N 3.31Å; H418-Q420 VanDerWaalsContact C-N 3.33Å; H418-Q420 PolarHBondContact O-N 3.06Å; Q420-A424 VanDerWaalsContact O-CB 3.27Å; Q420-A424 WeakPolarHBondContact O-CB 3.16Å; Q420-A424 PolarHBondContact O-N 3.46Å
421V95.4Very high94.2Very high4 Ų436.2 Ų36.22%0.02422%0.222CC..Hα-helixtrans-68.1-43.4176.9-176.40000110.8V369 Q372 L376 T417 H418 F419 F423 A424 A425V369-V421 HydrophobicContact CB-CG1 4.31Å; V369-V421 HydrophobicContact CG2-CG1 3.82Å; Q372-V421 HydrophobicContact CB-CG2 4.01Å; Q372-V421 HydrophobicContact CG-CB 4.45Å; Q372-V421 HydrophobicContact CG-CG1 4.47Å; Q372-V421 HydrophobicContact CG-CG2 3.89Å; L376-V421 HydrophobicContact CD1-CG1 4.02Å; L376-V421 HydrophobicContact CD2-CB 4.04Å; L376-V421 HydrophobicContact CD2-CG1 3.5Å; L376-V421 VanDerWaalsContact CD2-CG1 3.5Å; L376-V421 HydrophobicContact CG-CG1 3.51Å; T417-V421 VanDerWaalsContact O-CG2 3.24Å; T417-V421 WeakPolarHBondContact O-CG2 3.5Å; T417-V421 PolarHBondContact O-N 3.37Å; T417-V421 VanDerWaalsContact O-N 3.09Å; H418-V421 PolarHBondContact O-N 2.7Å; H418-V421 VanDerWaalsContact O-N 3.12Å; F419-V421 VanDerWaalsContact C-N 3.31Å; F419-V421 PolarHBondContact O-N 3.04Å; V421-F423 PolarHBondContact O-N 3.26Å; V421-A424 PolarHBondContact O-N 2.81Å; V421-A425 WeakPolarHBondContact O-CB 3.36Å; V421-A425 PolarHBondContact O-N 3.34Å
422I96.1Very high94.3Very high1 Ų136.3 Ų36.31%0.00522%0.22CC..Hα-helixtrans-60-45.1176.5-66.5-72.8000111.5L376 D391 L392 L395 H418 F419 A425 G426L376-I422 HydrophobicContact CD1-CD1 3.9Å; L376-I422 HydrophobicContact CD2-CD1 3.79Å; L376-I422 HydrophobicContact CD2-CG1 4.23Å; D391-I422 HydrophobicContact CB-CD1 4.16Å; D391-I422 HydrophobicContact CB-CG1 4.42Å; D391-I422 HydrophobicContact CB-CG2 4.5Å; L392-I422 HydrophobicContact CD2-CD1 4.07Å; L392-I422 HydrophobicContact CD2-CG2 4.18Å; L392-I422 HydrophobicContact CG-CD1 3.72Å; L395-I422 HydrophobicContact CD2-CG2 4.07Å; H418-I422 VanDerWaalsContact CE1-CG1 3.49Å; H418-I422 WeakPolarHBondContact CE1-CG1 3.17Å; H418-I422 WeakPolarHBondContact O-CG1 3.28Å; H418-I422 PolarHBondContact O-N 3.31Å; F419-I422 PolarHBondContact O-N 3.34Å; I422-A425 PolarHBondContact O-N 3.15Å; I422-G426 PolarHBondContact O-N 2.89Å
423F96.2Very high94.3Very high17 Ų1737.8 Ų37.88%0.07523%0.228CC..Hα-helixtrans-66.1-42.6179.6-63.3-14.2000111.6L395 Y409 F419 V421 G426 Q427 Y432 V439 H441L395-F423 HydrophobicContact CD2-CD1 4.4Å; Y409-F423 AromaticContact CD2-CE1 3.69Å; Y409-F423 HydrophobicContact CD2-CE1 3.69Å; Y409-F423 AromaticContact CD2-CZ 3.46Å; Y409-F423 HydrophobicContact CD2-CZ 3.46Å; Y409-F423 VanDerWaalsContact CD2-CZ 3.46Å; Y409-F423 AromaticContact CE2-CE1 3.54Å; Y409-F423 HydrophobicContact CE2-CE1 3.54Å; Y409-F423 AromaticContact CE2-CZ 3.84Å; Y409-F423 HydrophobicContact CE2-CZ 3.84Å; Y409-F423 HydrophobicContact CG-CE1 4.38Å; Y409-F423 HydrophobicContact CG-CZ 4.06Å; F419-F423 HydrophobicContact CB-CE1 4.33Å; F419-F423 HydrophobicContact CB-CE2 3.97Å; F419-F423 HydrophobicContact CB-CZ 3.83Å; F419-F423 AromaticContact CD1-CE1 3.86Å; F419-F423 HydrophobicContact CD1-CE1 3.86Å; F419-F423 AromaticContact CD1-CZ 3.82Å; F419-F423 HydrophobicContact CD1-CZ 3.82Å; F419-F423 HydrophobicContact CG-CZ 4.17Å; F419-F423 WeakPolarHBondContact O-CB 3.45Å; F419-F423 WeakPolarHBondContact O-CD1 3.48Å; F419-F423 VanDerWaalsContact O-CD2 3.29Å; F419-F423 WeakPolarHBondContact O-CD2 3.31Å; F419-F423 WeakPolarHBondContact O-CG 3.49Å; F419-F423 PolarHBondContact O-N 3.47Å; V421-F423 PolarHBondContact O-N 3.26Å; F423-G426 PolarHBondContact O-N 2.95Å; F423-Q427 WeakPolarHBondContact O-CG 3.38Å; F423-Q427 PolarHBondContact O-N 3.08Å; F423-Y432 WeakPolarHBondContact CB-OH 3.38Å; F423-Y432 PolarHBondContact O-OH 2.87Å; F423-Y432 VanDerWaalsContact O-OH 3.1Å; F423-V439 HydrophobicContact CD1-CG1 3.58Å; F423-V439 HydrophobicContact CD2-CG1 4.29Å; F423-V439 HydrophobicContact CE1-CG1 3.52Å; F423-V439 HydrophobicContact CE2-CG1 4.22Å; F423-V439 HydrophobicContact CG-CG1 4Å; F423-V439 HydrophobicContact CZ-CG1 3.86Å; F423-H441 HydrophobicContact CE2-CB 3.93Å; F423-H441 HydrophobicContact CZ-CB 4.4Å
424A95.3Very high94.3Very high18 Ų1838.9 Ų38.915%0.14923%0.234CC..Hα-helixtrans-67.6-35.9176.400000111.8V369 Q420 V421 Q427 M428V369-A424 HydrophobicContact CG1-CB 3.46Å; V369-A424 VanDerWaalsContact CG1-CB 3.46Å; Q420-A424 VanDerWaalsContact O-CB 3.27Å; Q420-A424 WeakPolarHBondContact O-CB 3.16Å; Q420-A424 PolarHBondContact O-N 3.46Å; V421-A424 PolarHBondContact O-N 2.81Å; A424-Q427 PolarHBondContact O-N 3.25Å; A424-M428 WeakPolarHBondContact O-CB 3.5Å; A424-M428 PolarHBondContact O-N 3.03Å
425A95.5Very high94.4Very high0 Ų044.4 Ų44.40%024%0.242CC..Hα-helixtrans-61.9-43.2171.600000111.7F352 V369 L376 L392 V421 I422 Q427 M428 I429F352-A425 HydrophobicContact CZ-CB 4.41Å; V369-A425 HydrophobicContact CG2-CB 3.75Å; L376-A425 HydrophobicContact CD1-CB 3.71Å; L392-A425 HydrophobicContact CD2-CB 4.02Å; V421-A425 WeakPolarHBondContact O-CB 3.36Å; V421-A425 PolarHBondContact O-N 3.34Å; I422-A425 PolarHBondContact O-N 3.15Å; A425-Q427 VanDerWaalsContact C-N 3.32Å; A425-Q427 PolarHBondContact O-N 3.49Å; A425-M428 PolarHBondContact O-N 3.36Å; A425-I429 WeakPolarHBondContact O-CG2 3.31Å; A425-I429 PolarHBondContact O-N 3.44Å
426G95.4Very high94.5Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-61.1-36.6174.500000113.4I422 F423 I429 G430 W431I422-G426 PolarHBondContact O-N 2.89Å; F423-G426 PolarHBondContact O-N 2.95Å; G426-I429 WeakPolarHBondContact O-CG2 3.48Å; G426-G430 PolarHBondContact O-N 2.81Å; G426-W431 WeakPolarHBondContact O-CB 3.42Å; G426-W431 PolarHBondContact O-N 3.34Å
427Q95.2Very high94.7Very high84 Ų8445.7 Ų45.739%0.39325%0.254SS..Hα-helixtrans-71.1-44.9173.9-67166.520.100111.4F423 A424 A425 I429 G430 Y432 P434F423-Q427 WeakPolarHBondContact O-CG 3.38Å; F423-Q427 PolarHBondContact O-N 3.08Å; A424-Q427 PolarHBondContact O-N 3.25Å; A425-Q427 VanDerWaalsContact C-N 3.32Å; A425-Q427 PolarHBondContact O-N 3.49Å; Q427-I429 VanDerWaalsContact C-N 3.32Å; Q427-I429 PolarHBondContact O-N 2.97Å; Q427-G430 WeakPolarHBondContact O-CA 3.46Å; Q427-G430 PolarHBondContact O-N 2.73Å; Q427-Y432 HydrophobicContact CG-CE1 3.82Å; Q427-Y432 HydrophobicContact CG-CE2 4.08Å; Q427-Y432 PolarHBondContact NE2-OH 3.16Å; Q427-P434 HydrophobicContact CG-CG 3.96Å
428M94.1Very high94.8Very high60 Ų6045.4 Ų45.430%0.29625%0.245SC..Hα-helixtrans-58-42.9179.8177.7179.87700112.1F352 L357 V367 P370 A424 A425 G430F352-M428 HydrophobicContact CE1-CE 4.37Å; L357-M428 HydrophobicContact CB-CE 4.34Å; L357-M428 HydrophobicContact CD1-CE 4.08Å; L357-M428 HydrophobicContact CD2-CE 4.12Å; L357-M428 HydrophobicContact CD2-SD 4.38Å; L357-M428 HydrophobicContact CG-CE 4.4Å; V367-M428 HydrophobicContact CG1-CE 3.65Å; P370-M428 WeakPolarHBondContact CD-SD 3.45Å; P370-M428 HydrophobicContact CG-SD 4.14Å; A424-M428 WeakPolarHBondContact O-CB 3.5Å; A424-M428 PolarHBondContact O-N 3.03Å; A425-M428 PolarHBondContact O-N 3.36Å; M428-G430 PolarHBondContact O-N 2.96Å
429I94.9Very high94.8Very high9 Ų945.3 Ų45.35%0.04625%0.246CC..THydrogen-bonded Turntrans-77.2-10.2178.4-162.7165.2000112.7E351 F352 K355 L357 A425 G426 Q427 W431E351-I429 HydrophobicContact CG-CD1 4.13Å; F352-I429 HydrophobicContact CD1-CD1 3.98Å; F352-I429 HydrophobicContact CD2-CD1 3.7Å; F352-I429 HydrophobicContact CE1-CB 4.38Å; F352-I429 HydrophobicContact CE1-CD1 3.9Å; F352-I429 HydrophobicContact CE2-CD1 3.62Å; F352-I429 HydrophobicContact CG-CD1 3.88Å; F352-I429 HydrophobicContact CZ-CB 4.32Å; F352-I429 HydrophobicContact CZ-CD1 3.72Å; F352-I429 HydrophobicContact CZ-CG2 4.32Å; K355-I429 HydrophobicContact CD-CD1 4.02Å; K355-I429 HydrophobicContact CD-CG1 3.5Å; K355-I429 VanDerWaalsContact NZ-CG1 3.33Å; K355-I429 PolarHBondContact NZ-O 3.22Å; L357-I429 HydrophobicContact CD1-CB 4.25Å; L357-I429 HydrophobicContact CD1-CD1 4.36Å; L357-I429 HydrophobicContact CD1-CG1 4.08Å; A425-I429 WeakPolarHBondContact O-CG2 3.31Å; A425-I429 PolarHBondContact O-N 3.44Å; G426-I429 WeakPolarHBondContact O-CG2 3.48Å; Q427-I429 VanDerWaalsContact C-N 3.32Å; Q427-I429 PolarHBondContact O-N 2.97Å; I429-W431 HydrophobicContact CD1-CZ2 4.16Å; I429-W431 HydrophobicContact CG2-CB 4.27Å; I429-W431 HydrophobicContact CG2-CD2 3.46Å; I429-W431 VanDerWaalsContact CG2-CD2 3.46Å; I429-W431 HydrophobicContact CG2-CE3 4.11Å; I429-W431 HydrophobicContact CG2-CG 3.5Å; I429-W431 HydrophobicContact CG2-CZ2 4.18Å
430G94.3Very high94.8Very high59 Ų5947.4 Ų47.461%0.60826%0.256SS*.THydrogen-bonded Turntrans82.930.317800000114.5G426 Q427 M428G426-G430 PolarHBondContact O-N 2.81Å; Q427-G430 WeakPolarHBondContact O-CA 3.46Å; Q427-G430 PolarHBondContact O-N 2.73Å; M428-G430 PolarHBondContact O-N 2.96Å
431W95.8Very high95Very high15 Ų1544 Ų446%0.05724%0.24CC..SBendtrans-75.8-30.8178.5-71.3-15.1000113.9V348 E351 F352 L392 L395 R396 L399 F400 G426 I429V348-W431 HydrophobicContact CG1-CH2 3.93Å; V348-W431 HydrophobicContact CG1-CZ2 4.31Å; V348-W431 HydrophobicContact CG2-CH2 4.29Å; V348-W431 HydrophobicContact CG2-CZ2 4.48Å; E351-W431 PolarHBondContact OE1-NE1 2.96Å; F352-W431 AromaticContact CE2-CH2 3.77Å; F352-W431 HydrophobicContact CE2-CH2 3.77Å; F352-W431 AromaticContact CE2-CZ2 3.88Å; F352-W431 HydrophobicContact CE2-CZ2 3.88Å; F352-W431 HydrophobicContact CZ-CH2 4.36Å; L392-W431 HydrophobicContact CB-CH2 4.25Å; L392-W431 HydrophobicContact CB-CZ3 4.38Å; L392-W431 HydrophobicContact CD2-CH2 4.29Å; L392-W431 HydrophobicContact CD2-CZ3 3.97Å; L392-W431 WeakPolarHBondContact O-CZ3 3.23Å; L395-W431 HydrophobicContact CD2-CE3 4.35Å; L395-W431 HydrophobicContact CG-CE3 4.46Å; R396-W431 HydrophobicContact CB-CD2 4.29Å; R396-W431 HydrophobicContact CB-CE3 4.06Å; R396-W431 HydrophobicContact CB-CH2 3.76Å; R396-W431 HydrophobicContact CB-CZ2 4Å; R396-W431 HydrophobicContact CB-CZ3 3.8Å; R396-W431 HydrophobicContact CG-CD2 4.16Å; R396-W431 HydrophobicContact CG-CE3 4.44Å; R396-W431 HydrophobicContact CG-CH2 4.17Å; R396-W431 HydrophobicContact CG-CZ2 3.86Å; R396-W431 HydrophobicContact CG-CZ3 4.45Å; L399-W431 HydrophobicContact CD1-CB 3.98Å; F400-W431 HydrophobicContact CE2-CB 3.78Å; F400-W431 AromaticContact CE2-CD1 3.51Å; F400-W431 HydrophobicContact CE2-CD2 4.36Å; F400-W431 AromaticContact CE2-CG 3.62Å; F400-W431 HydrophobicContact CE2-CG 3.62Å; F400-W431 HydrophobicContact CZ-CB 4.16Å; F400-W431 AromaticContact CZ-CD1 3.79Å; F400-W431 HydrophobicContact CZ-CG 4.17Å; G426-W431 WeakPolarHBondContact O-CB 3.42Å; G426-W431 PolarHBondContact O-N 3.34Å; I429-W431 HydrophobicContact CD1-CZ2 4.16Å; I429-W431 HydrophobicContact CG2-CB 4.27Å; I429-W431 HydrophobicContact CG2-CD2 3.46Å; I429-W431 VanDerWaalsContact CG2-CD2 3.46Å; I429-W431 HydrophobicContact CG2-CE3 4.11Å; I429-W431 HydrophobicContact CG2-CG 3.5Å; I429-W431 HydrophobicContact CG2-CZ2 4.18Å
432Y96.5Very high95Very high23 Ų2343.8 Ų43.89%0.0924%0.239CC..  trans-155.5160.3176.973.8-75.6000111.7L395 L399 F423 Q427 P434 V439L395-Y432 HydrophobicContact CD2-CE1 4.48Å; L399-Y432 HydrophobicContact CD1-CD1 3.66Å; L399-Y432 HydrophobicContact CD1-CG 4.11Å; L399-Y432 HydrophobicContact CD2-CG 4.42Å; F423-Y432 WeakPolarHBondContact CB-OH 3.38Å; F423-Y432 PolarHBondContact O-OH 2.87Å; F423-Y432 VanDerWaalsContact O-OH 3.1Å; Q427-Y432 HydrophobicContact CG-CE1 3.82Å; Q427-Y432 HydrophobicContact CG-CE2 4.08Å; Q427-Y432 PolarHBondContact NE2-OH 3.16Å; Y432-P434 HydrophobicContact CE2-CG 4.18Å; Y432-V439 HydrophobicContact CD2-CG2 3.87Å; Y432-V439 HydrophobicContact CE1-CG2 4.33Å; Y432-V439 HydrophobicContact CE2-CB 3.91Å; Y432-V439 HydrophobicContact CE2-CG2 3.61Å; Y432-V439 HydrophobicContact CG-CG2 4.34Å
433D94.8Very high95Very high77 Ų7744.1 Ų44.141%0.41224%0.242SC..  trans-105.9124.7171.1-176.1-24.2000108.9Q435 V436 T437D433-Q435 PolarHBondContact O-N 3.02Å; D433-Q435 VanDerWaalsContact O-N 3.12Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.49Å; D433-Q435 PolarHBondContact OD1-N 3.26Å; D433-V436 HydrophobicContact CB-CB 4.24Å; D433-V436 HydrophobicContact CB-CG2 4.01Å; D433-V436 PolarHBondContact O-N 3.37Å; D433-T437 PolarHBondContact O-N 2.77Å
434P92.9Very high94.9Very high73 Ų7343.5 Ų43.547%0.47424%0.24SC..THydrogen-bonded Turntrans-56.8-22.3176.9-26.636.7000115.2Q427 Y432Q427-P434 HydrophobicContact CG-CG 3.96Å; Y432-P434 HydrophobicContact CE2-CG 4.18Å
435Q91.9Very high94.8Very high183 Ų18342.9 Ų42.986%0.85523%0.234SC*.THydrogen-bonded Turntrans-78.8-21.2175.6-59.9-171.37.100112.8D433D433-Q435 PolarHBondContact O-N 3.02Å; D433-Q435 VanDerWaalsContact O-N 3.12Å; D433-Q435 WeakPolarHBondContact OD1-CB 3.49Å; D433-Q435 PolarHBondContact OD1-N 3.26Å
436V92.6Very high94.6Very high107 Ų10745.3 Ų45.365%0.64825%0.249SC*.THydrogen-bonded Turntrans-101.8-47.6-177-179.60000111D433D433-V436 HydrophobicContact CB-CB 4.24Å; D433-V436 HydrophobicContact CB-CG2 4.01Å; D433-V436 PolarHBondContact O-N 3.37Å
437T94.7Very high94.3Very high20 Ų2045.9 Ų45.912%0.12325%0.253CS..SBendtrans-118.1123.7-176.8-57.10000109.7L399 A404 D405 D433 V439L399-T437 HydrophobicContact CD2-CG2 3.75Å; A404-T437 WeakPolarHBondContact O-CG2 3.28Å; D405-T437 WeakPolarHBondContact O-CA 3.4Å; D405-T437 WeakPolarHBondContact O-CG2 3.4Å; D433-T437 PolarHBondContact O-N 2.77Å; T437-V439 HydrophobicContact CG2-CG2 4.17Å; T437-V439 PolarHBondContact O-N 2.68Å
438R95.1Very high94.1Very high65 Ų6543 Ų4325%0.24524%0.24CC..EExtended strand (participates in β ladder)trans-86.3107.5179.2-179.9179.1177.6174.52.8109.8D405 I406 V407 E440 L592 D593D405-R438 PolarHBondContact O-N 3.23Å; I406-R438 CarbonylContact C-O 3.52Å; I406-R438 VanDerWaalsContact CA-O 3.25Å; I406-R438 WeakPolarHBondContact CA-O 3.43Å; I406-R438 HydrophobicContact CG1-CB 4.29Å; I406-R438 HydrophobicContact CG2-CB 4.18Å; I406-R438 HydrophobicContact CG2-CG 4.26Å; V407-R438 PolarHBondContact N-O 3.31Å; R438-E440 IonicContact CZ-OE2 2.79Å; R438-E440 IonicContact NE-OE2 3.48Å; R438-E440 PolarHBondContact NE-OE2 2.82Å; R438-E440 IonicContact NH2-OE1 3.23Å; R438-E440 IonicContact NH2-OE2 3.53Å; R438-E440 PolarHBondContact NH2-OE2 3.22Å; R438-L592 PolarHBondContact NH1-O 3.39Å; R438-D593 PolarHBondContact NH2-O 3.45Å
439V96.4Very high93.8Very high23 Ų2340.4 Ų40.414%0.13923%0.228CC..EExtended strand (participates in β ladder)trans-110119.6171.2-176.40000108.2L395 L399 V407 Y409 F423 Y432 T437L395-V439 HydrophobicContact CD1-CG1 4.04Å; L395-V439 HydrophobicContact CD1-CG2 4.4Å; L399-V439 HydrophobicContact CD2-CG2 4.35Å; V407-V439 HydrophobicContact CB-CG1 4.48Å; V407-V439 HydrophobicContact CB-CG2 4.4Å; V407-V439 WeakPolarHBondContact O-CA 3.3Å; Y409-V439 HydrophobicContact CD2-CG1 4.45Å; Y409-V439 HydrophobicContact CE2-CG1 3.95Å; F423-V439 HydrophobicContact CD1-CG1 3.58Å; F423-V439 HydrophobicContact CD2-CG1 4.29Å; F423-V439 HydrophobicContact CE1-CG1 3.52Å; F423-V439 HydrophobicContact CE2-CG1 4.22Å; F423-V439 HydrophobicContact CG-CG1 4Å; F423-V439 HydrophobicContact CZ-CG1 3.86Å; Y432-V439 HydrophobicContact CD2-CG2 3.87Å; Y432-V439 HydrophobicContact CE1-CG2 4.33Å; Y432-V439 HydrophobicContact CE2-CB 3.91Å; Y432-V439 HydrophobicContact CE2-CG2 3.61Å; Y432-V439 HydrophobicContact CG-CG2 4.34Å; T437-V439 HydrophobicContact CG2-CG2 4.17Å; T437-V439 PolarHBondContact O-N 2.68Å
440E95Very high93.4Very high51 Ų5145.9 Ų45.924%0.23825%0.254CS..EExtended strand (participates in β ladder)trans-139.5142.5-171.1-168.3171.4158.900113.4V407 I408 Y409 R438 L595V407-E440 PolarHBondContact O-N 3.26Å; I408-E440 WeakPolarHBondContact CA-O 3.33Å; Y409-E440 PolarHBondContact N-O 3.3Å; R438-E440 IonicContact CZ-OE2 2.79Å; R438-E440 IonicContact NE-OE2 3.48Å; R438-E440 PolarHBondContact NE-OE2 2.82Å; R438-E440 IonicContact NH2-OE1 3.23Å; R438-E440 IonicContact NH2-OE2 3.53Å; R438-E440 PolarHBondContact NH2-OE2 3.22Å; E440-L595 HydrophobicContact CG-CD1 4.45Å
441H96.6Very high93Very high35 Ų3547.9 Ų47.916%0.16225%0.251CS..EExtended strand (participates in β ladder)trans-92.4109.3170.7173.2-133000110Y409 V411 G416 F419 F423 G443Y409-H441 PolarHBondContact O-CD2 3.14Å; V411-H441 PolarHBondContact O-NE2 2.89Å; G416-H441 VanDerWaalsContact CA-CE1 3.48Å; G416-H441 WeakPolarHBondContact CA-CE1 3.35Å; F419-H441 HydrophobicContact CB-CB 4.3Å; F423-H441 HydrophobicContact CE2-CB 3.93Å; F423-H441 HydrophobicContact CZ-CB 4.4Å; H441-G443 VanDerWaalsContact C-N 3.27Å; H441-G443 PolarHBondContact O-N 2.84Å; H441-G443 VanDerWaalsContact O-N 3.08Å
442A96.3Very high92.6Very high0 Ų055 Ų550%028%0.282CS..  trans-83.471.2171.100000110.6M221 I408 Y409 V410 R515M221-A442 HydrophobicContact CE-CB 4.06Å; M221-A442 HydrophobicContact SD-CB 4.28Å; I408-A442 HydrophobicContact CG2-CB 3.68Å; Y409-A442 WeakPolarHBondContact O-CA 3.35Å; Y409-A442 PolarHBondContact O-N 2.56Å; V410-A442 HydrophobicContact CG2-CB 4.09Å; A442-R515 VanDerWaalsContact CA-NH1 3.31Å
443G95.3Very high92.2Very high7 Ų760.7 Ų60.77%0.07231%0.307CS..  trans-56.8143.4175.600000115V411 H441 R515V411-G443 VanDerWaalsContact O-CA 3.3Å; V411-G443 WeakPolarHBondContact O-CA 3.36Å; H441-G443 VanDerWaalsContact C-N 3.27Å; H441-G443 PolarHBondContact O-N 2.84Å; H441-G443 VanDerWaalsContact O-N 3.08Å; G443-R515 PolarHBondContact O-NH1 3.15Å
444F95.4Very high91.7Very high5 Ų564.3 Ų64.32%0.02232%0.32CS..BIsolated β-bridgetrans-134155.116859.2-96.8000112.8R213 I217 V410 V411 D412 S413 R515R213-F444 HydrophobicContact CB-CD2 3.92Å; R213-F444 HydrophobicContact CB-CE2 3.85Å; R213-F444 HydrophobicContact CB-CG 4.44Å; R213-F444 HydrophobicContact CB-CZ 4.29Å; I217-F444 HydrophobicContact CD1-CB 3.99Å; I217-F444 HydrophobicContact CD1-CD1 4.32Å; I217-F444 HydrophobicContact CD1-CG 4.24Å; V410-F444 HydrophobicContact CG1-CD1 4.24Å; V410-F444 HydrophobicContact CG1-CE1 4.26Å; V411-F444 PolarHBondContact O-N 3.43Å; D412-F444 HydrophobicContact CB-CE2 4.02Å; D412-F444 HydrophobicContact CB-CZ 4.17Å; S413-F444 WeakPolarHBondContact CB-O 3.4Å; S413-F444 PolarHBondContact N-O 3.36Å; S413-F444 PolarHBondContact OG-N 3.42Å; S413-F444 PolarHBondContact OG-O 3.03Å; F444-R515 CarbonylContact C-O 3.46Å; F444-R515 WeakPolarHBondContact CA-O 3.46Å; F444-R515 HydrophobicContact CB-CB 4.27Å; F444-R515 WeakPolarHBondContact CB-O 3.15Å
445G92.6Very high91.1Very high4 Ų462.9 Ų62.94%0.04131%0.306CS..  trans-78.9176.918000000113.6R213 R515 N517R213-G445 VanDerWaalsContact NH1-C 3.31Å; R213-G445 PolarHBondContact NH1-O 3.07Å; G445-R515 PolarHBondContact N-O 3.1Å; G445-N517 WeakPolarHBondContact CA-O 3.23Å
446V90.6Very high90.4Very high52 Ų5260 Ų6032%0.31529%0.29SS..  trans-81.8158.2-176.5-62.60000112.5L448 D518 Y519V446-L448 HydrophobicContact CG2-CD2 3.82Å; V446-L448 HydrophobicContact CG2-CG 4.36Å; V446-D518 HydrophobicContact CG2-CB 4.34Å; V446-D518 VanDerWaalsContact CG2-OD1 3.28Å; V446-D518 WeakPolarHBondContact CG2-OD1 3.23Å; V446-D518 PolarHBondContact N-OD1 3.43Å; V446-D518 WeakPolarHBondContact O-CA 3.4Å; V446-Y519 PolarHBondContact O-N 2.83Å
447V89.2Confident89.2Confident11 Ų1157.2 Ų57.27%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-88.2122.4172.6-173.30000109.8V209 R213 F455 Y519 F521V209-V447 HydrophobicContact CB-CB 4.19Å; V209-V447 HydrophobicContact CB-CG1 4.14Å; V209-V447 HydrophobicContact CB-CG2 4Å; V209-V447 HydrophobicContact CG2-CB 3.65Å; V209-V447 HydrophobicContact CG2-CG1 3.89Å; V209-V447 HydrophobicContact CG2-CG2 3.89Å; R213-V447 HydrophobicContact CG-CG2 3.69Å; V447-F455 HydrophobicContact CB-CB 4.37Å; V447-F455 HydrophobicContact CG1-CB 3.91Å; V447-F455 HydrophobicContact CG1-CG 4.23Å; V447-F455 WeakPolarHBondContact O-CB 3.37Å; V447-F455 PolarHBondContact O-N 3.47Å; V447-Y519 WeakPolarHBondContact CA-O 3.45Å; V447-Y519 HydrophobicContact CG1-CD1 4.19Å; V447-Y519 HydrophobicContact CG2-CD1 4.43Å; V447-F521 HydrophobicContact CG1-CB 3.96Å
448L90.8Very high87.7Confident23 Ų2369 Ų6912%0.1232%0.316CS..EExtended strand (participates in β ladder)trans-107.2150.7178.1-56.1179.3000110.8V446 K453 D518 Y519 V520 F521V446-L448 HydrophobicContact CG2-CD2 3.82Å; V446-L448 HydrophobicContact CG2-CG 4.36Å; L448-K453 CarbonylContact C-O 3.57Å; L448-K453 WeakPolarHBondContact CA-O 3.49Å; L448-D518 HydrophobicContact CD1-CB 3.73Å; L448-D518 HydrophobicContact CG-CB 4.13Å; L448-Y519 PolarHBondContact N-O 3.07Å; L448-V520 HydrophobicContact CB-CG2 4.23Å; L448-V520 HydrophobicContact CD1-CG2 4.46Å; L448-F521 PolarHBondContact O-N 3.14Å
449G88.7Confident85.8Confident6 Ų670.1 Ų70.16%0.06233%0.334CS..  trans-79.3176.7164.100000112.3D451 K452 K453G449-D451 PolarHBondContact O-N 3.34Å; G449-D451 VanDerWaalsContact O-N 3.14Å; G449-K452 WeakPolarHBondContact O-CA 3.14Å; G449-K452 PolarHBondContact O-N 3.22Å; G449-K453 PolarHBondContact N-O 3.22Å
450E85.9Confident84.3Confident124 Ų12470.8 Ų70.858%0.57935%0.345SS*.THydrogen-bonded Turntrans-60.9-21.6175.8-61.8-171.3152.700112.8K452 S522E450-K452 PolarHBondContact O-N 3.47Å; E450-S522 WeakPolarHBondContact OE1-CB 3.39Å; E450-S522 PolarHBondContact OE1-OG 2.91Å
451D86.9Confident83Confident102 Ų10272.5 Ų72.555%0.54536%0.356SS..THydrogen-bonded Turntrans-77.92.4172.770.9-19.6000113.9G449 K453G449-D451 PolarHBondContact O-N 3.34Å; G449-D451 VanDerWaalsContact O-N 3.14Å; D451-K453 PolarHBondContact O-N 2.71Å; D451-K453 PolarHBondContact OD1-N 3.06Å; D451-K453 WeakPolarHBondContact OD2-CB 3.35Å
452K87.6Confident81.7Confident163 Ų16374.4 Ų74.471%0.70937%0.37SS*.SBendtrans59.619.4-175.2-56.6-176.4178.1-177.70114.2G449 E450G449-K452 WeakPolarHBondContact O-CA 3.14Å; G449-K452 PolarHBondContact O-N 3.22Å; E450-K452 PolarHBondContact O-N 3.47Å
453K87.2Confident80.9Confident143 Ų14375.6 Ų75.662%0.62238%0.378SS*.SBendtrans-103.9166.6172-60.9-179.3-176.2172.70109.8L448 G449 D451 F455L448-K453 CarbonylContact C-O 3.57Å; L448-K453 WeakPolarHBondContact CA-O 3.49Å; G449-K453 PolarHBondContact N-O 3.22Å; D451-K453 PolarHBondContact O-N 2.71Å; D451-K453 PolarHBondContact OD1-N 3.06Å; D451-K453 WeakPolarHBondContact OD2-CB 3.35Å; K453-F455 PolarHBondContact O-N 3.36Å
454K83.3Confident80.3Confident154 Ų15480.3 Ų80.367%0.6739%0.393SS*.BIsolated β-bridgetrans-51.9127.1177.2-172.8169.1-1751690110K456K454-K456 WeakPolarHBondContact O-CG 3.45Å; K454-K456 PolarHBondContact O-N 3.43Å; K454-K456 VanDerWaalsContact O-N 3.13Å
455F81.8Confident79.8Confident42 Ų4280.2 Ų80.218%0.18439%0.393CS..  trans-60.2115.9-175.5-166.5-106.5000111.1V209 V447 K453 V463 L468 F521V209-F455 HydrophobicContact CG1-CD1 3.78Å; V209-F455 HydrophobicContact CG1-CE1 4Å; V209-F455 HydrophobicContact CG2-CB 4.3Å; V209-F455 HydrophobicContact CG2-CD1 4.09Å; V447-F455 HydrophobicContact CB-CB 4.37Å; V447-F455 HydrophobicContact CG1-CB 3.91Å; V447-F455 HydrophobicContact CG1-CG 4.23Å; V447-F455 WeakPolarHBondContact O-CB 3.37Å; V447-F455 PolarHBondContact O-N 3.47Å; K453-F455 PolarHBondContact O-N 3.36Å; F455-V463 HydrophobicContact CD1-CB 4.26Å; F455-V463 HydrophobicContact CD1-CG2 3.83Å; F455-V463 HydrophobicContact CE1-CB 3.98Å; F455-V463 HydrophobicContact CE1-CG1 4.13Å; F455-V463 HydrophobicContact CE1-CG2 3.61Å; F455-V463 HydrophobicContact CZ-CG2 4.46Å; F455-L468 HydrophobicContact CE1-CD1 4.01Å; F455-L468 HydrophobicContact CZ-CD1 4.43Å; F455-F521 HydrophobicContact CD2-CB 4.11Å; F455-F521 HydrophobicContact CE1-CD1 4.5Å; F455-F521 HydrophobicContact CE2-CB 3.97Å; F455-F521 AromaticContact CE2-CD1 3.65Å; F455-F521 HydrophobicContact CE2-CD1 3.65Å; F455-F521 HydrophobicContact CE2-CG 4.07Å; F455-F521 HydrophobicContact CZ-CB 4.48Å; F455-F521 AromaticContact CZ-CD1 3.6Å; F455-F521 HydrophobicContact CZ-CD1 3.6Å; F455-F521 HydrophobicContact CZ-CE1 4.09Å; F455-F521 HydrophobicContact CZ-CG 4.13Å
456K77.6Confident79.5Confident123 Ų12382.2 Ų82.254%0.53540%0.402SS..  trans-141.6157.6-176.4-73.6179.2171.4-158.50109.9K454 G460 D461K454-K456 WeakPolarHBondContact O-CG 3.45Å; K454-K456 PolarHBondContact O-N 3.43Å; K454-K456 VanDerWaalsContact O-N 3.13Å; K456-G460 WeakPolarHBondContact CD-O 3.25Å; K456-D461 WeakPolarHBondContact CA-O 3.22Å
457T66.4Low79.4Confident48 Ų4882.8 Ų82.829%0.29440%0.403SS..  trans-65.8166.9170.661.90000110.7S459 G460 D461 V463T457-S459 PolarHBondContact O-N 2.79Å; T457-S459 VanDerWaalsContact O-N 3.15Å; T457-S459 PolarHBondContact OG1-OG 3.39Å; T457-G460 PolarHBondContact O-N 3.23Å; T457-G460 PolarHBondContact OG1-N 3.48Å; T457-D461 PolarHBondContact N-O 3.12Å; T457-D461 WeakPolarHBondContact OG1-CA 3.49Å; T457-D461 WeakPolarHBondContact OG1-CB 3.36Å; T457-D461 PolarHBondContact OG1-N 2.74Å; T457-D461 PolarHBondContact OG1-O 2.62Å; T457-V463 HydrophobicContact CG2-CB 4.3Å; T457-V463 HydrophobicContact CG2-CG2 3.65Å
458R63Low79.3Confident267 Ų26782.5 Ų82.5100%1.00840%0.401SS*.THydrogen-bonded Turntrans-58.4-24.3173.3-68.3-177.5-179.9176.80.1113.3G460R458-G460 VanDerWaalsContact C-N 3.35Å
459S56.3Low79.3Confident90 Ų9081.5 Ų81.563%0.62940%0.396SS*.THydrogen-bonded Turntrans-81.5-10.517458.90000113.7T457 D461T457-S459 PolarHBondContact O-N 2.79Å; T457-S459 VanDerWaalsContact O-N 3.15Å; T457-S459 PolarHBondContact OG1-OG 3.39Å; S459-D461 PolarHBondContact OG-OD2 3.19Å
460G64Low79.4Confident36 Ų3686.6 Ų86.637%0.37142%0.418SS..SBendtrans89.81.1-175.500000114.8K456 T457 R458K456-G460 WeakPolarHBondContact CD-O 3.25Å; T457-G460 PolarHBondContact O-N 3.23Å; T457-G460 PolarHBondContact OG1-N 3.48Å; R458-G460 VanDerWaalsContact C-N 3.35Å
461D67.2Low79.6Confident88 Ų8883.7 Ų83.747%0.47140%0.404SS..SBendtrans-79.2164.9176.9-63.1-56.6000112.3K456 T457 S459K456-D461 WeakPolarHBondContact CA-O 3.22Å; T457-D461 PolarHBondContact N-O 3.12Å; T457-D461 WeakPolarHBondContact OG1-CA 3.49Å; T457-D461 WeakPolarHBondContact OG1-CB 3.36Å; T457-D461 PolarHBondContact OG1-N 2.74Å; T457-D461 PolarHBondContact OG1-O 2.62Å; S459-D461 PolarHBondContact OG-OD2 3.19Å
462T70Confident79.8Confident74 Ų7478.9 Ų78.945%0.45438%0.379SS..PPolyproline II helixtrans-68131.2171.945.60000110.6R464T462-R464 PolarHBondContact O-N 2.95Å
463V78.8Confident80.1Confident26 Ų2672.8 Ų72.816%0.15835%0.354CS..PPolyproline II helixtrans-70.7126.9175.8-177.60000109.4F455 T457 L468F455-V463 HydrophobicContact CD1-CB 4.26Å; F455-V463 HydrophobicContact CD1-CG2 3.83Å; F455-V463 HydrophobicContact CE1-CB 3.98Å; F455-V463 HydrophobicContact CE1-CG1 4.13Å; F455-V463 HydrophobicContact CE1-CG2 3.61Å; F455-V463 HydrophobicContact CZ-CG2 4.46Å; T457-V463 HydrophobicContact CG2-CB 4.3Å; T457-V463 HydrophobicContact CG2-CG2 3.65Å; V463-L468 HydrophobicContact CG1-CB 4.44Å
464R82.3Confident80.5Confident105 Ų10571.9 Ų71.940%0.39635%0.35SS..PPolyproline II helixtrans-68.4134.9173.7-62.8-170.6-60.3-179.15.3110.1E206 T462 M466 D467 L468E206-R464 WeakPolarHBondContact OE1-CD 3.15Å; E206-R464 WeakPolarHBondContact OE1-CG 3.46Å; E206-R464 VanDerWaalsContact OE2-CG 3.25Å; E206-R464 WeakPolarHBondContact OE2-CG 3.34Å; T462-R464 PolarHBondContact O-N 2.95Å; R464-M466 VanDerWaalsContact C-N 3.35Å; R464-M466 PolarHBondContact O-N 3.03Å; R464-D467 HydrophobicContact CB-CB 4.32Å; R464-D467 IonicContact CZ-OD1 3.79Å; R464-D467 IonicContact CZ-OD2 2.99Å; R464-D467 IonicContact NE-OD1 3.06Å; R464-D467 IonicContact NE-OD2 2.66Å; R464-D467 PolarHBondContact NE-OD2 2.97Å; R464-D467 IonicContact NH2-OD1 2.96Å; R464-D467 PolarHBondContact NH2-OD1 3.39Å; R464-D467 IonicContact NH2-OD2 3.51Å; R464-D467 PolarHBondContact NH2-OD2 2.69Å; R464-D467 PolarHBondContact O-N 2.85Å; R464-L468 PolarHBondContact O-N 3.2Å
465L85.7Confident80.9Confident4 Ų468.4 Ų68.42%0.02133%0.333CS..Hα-helixtrans-65.3-38.1-176.9-17754.1000112.8M207 L212 V325 L468 L469M207-L465 HydrophobicContact CB-CB 4.24Å; M207-L465 HydrophobicContact CB-CD2 4.09Å; M207-L465 PolarHBondContact O-N 3Å; M207-L465 HydrophobicContact SD-CD2 4.25Å; L212-L465 HydrophobicContact CB-CD1 3.9Å; L212-L465 HydrophobicContact CB-CD2 4.14Å; L212-L465 HydrophobicContact CD1-CD1 3.86Å; L212-L465 HydrophobicContact CD1-CD2 4.11Å; L212-L465 HydrophobicContact CD2-CD1 3.6Å; L212-L465 HydrophobicContact CG-CD1 3.96Å; V325-L465 HydrophobicContact CB-CD2 4.48Å; V325-L465 HydrophobicContact CG1-CD2 3.43Å; V325-L465 VanDerWaalsContact CG1-CD2 3.43Å; V325-L465 HydrophobicContact CG1-CG 4.13Å; V325-L465 HydrophobicContact CG2-CD2 4.23Å; V325-L465 HydrophobicContact CG2-CG 4.44Å; L465-L468 HydrophobicContact CD1-CD2 4.48Å; L465-L468 WeakPolarHBondContact O-CB 3.39Å; L465-L468 PolarHBondContact O-N 2.94Å; L465-L469 HydrophobicContact CD1-CG 4.48Å; L465-L469 HydrophobicContact CG-CD1 4.46Å; L465-L469 WeakPolarHBondContact O-CG 3.29Å; L465-L469 PolarHBondContact O-N 3.3Å
466M86.6Confident81.3Confident45 Ų4566.4 Ų66.422%0.22232%0.324CS..Hα-helixtrans-61.6-44.9176.8-74.4-59.9-62.200112.3K324 V325 R464 L468 L469 E470K324-M466 HydrophobicContact CB-CE 4.46Å; K324-M466 HydrophobicContact CB-SD 4.26Å; V325-M466 HydrophobicContact CG2-CG 4.09Å; V325-M466 HydrophobicContact CG2-SD 3.7Å; R464-M466 VanDerWaalsContact C-N 3.35Å; R464-M466 PolarHBondContact O-N 3.03Å; M466-L468 PolarHBondContact O-N 3.19Å; M466-L469 PolarHBondContact O-N 3.02Å; M466-L469 VanDerWaalsContact O-N 3.09Å; M466-L469 HydrophobicContact SD-CD1 4.32Å; M466-E470 WeakPolarHBondContact O-CG 3.34Å; M466-E470 PolarHBondContact O-N 2.81Å
467D87.6Confident82Confident65 Ų6561.9 Ų61.935%0.34831%0.305SS..Hα-helixtrans-58.8-37.6177.2-61.5-12.6000111.4R464 E471R464-D467 HydrophobicContact CB-CB 4.32Å; R464-D467 IonicContact CZ-OD1 3.79Å; R464-D467 IonicContact CZ-OD2 2.99Å; R464-D467 IonicContact NE-OD1 3.06Å; R464-D467 IonicContact NE-OD2 2.66Å; R464-D467 PolarHBondContact NE-OD2 2.97Å; R464-D467 IonicContact NH2-OD1 2.96Å; R464-D467 PolarHBondContact NH2-OD1 3.39Å; R464-D467 IonicContact NH2-OD2 3.51Å; R464-D467 PolarHBondContact NH2-OD2 2.69Å; R464-D467 PolarHBondContact O-N 2.85Å; D467-E471 WeakPolarHBondContact O-CB 3.48Å; D467-E471 PolarHBondContact O-N 3.29Å
468L87.6Confident83.2Confident5 Ų563 Ų633%0.02631%0.309CS..Hα-helixtrans-67.4-41.2176.7-176.1149.9000112.1V209 L212 F455 V463 R464 L465 M466 G472 I506 F521 F523V209-L468 HydrophobicContact CG1-CD1 3.83Å; L212-L468 HydrophobicContact CD2-CD2 4.47Å; F455-L468 HydrophobicContact CE1-CD1 4.01Å; F455-L468 HydrophobicContact CZ-CD1 4.43Å; V463-L468 HydrophobicContact CG1-CB 4.44Å; R464-L468 PolarHBondContact O-N 3.2Å; L465-L468 HydrophobicContact CD1-CD2 4.48Å; L465-L468 WeakPolarHBondContact O-CB 3.39Å; L465-L468 PolarHBondContact O-N 2.94Å; M466-L468 PolarHBondContact O-N 3.19Å; L468-G472 PolarHBondContact O-N 2.78Å; L468-I506 HydrophobicContact CD2-CD1 4.04Å; L468-F521 HydrophobicContact CD1-CD2 4.47Å; L468-F521 HydrophobicContact CD1-CE1 4.13Å; L468-F521 HydrophobicContact CD1-CE2 3.81Å; L468-F521 HydrophobicContact CD1-CZ 3.63Å; L468-F521 HydrophobicContact CD2-CE2 4.01Å; L468-F521 HydrophobicContact CD2-CZ 3.86Å; L468-F521 HydrophobicContact CG-CE2 4.26Å; L468-F521 HydrophobicContact CG-CZ 3.8Å; L468-F523 HydrophobicContact CG-CZ 4.1Å; L468-F523 WeakPolarHBondContact O-CZ 3.39Å
469L90.1Very high84.4Confident2 Ų253.5 Ų53.51%0.0128%0.275CS..Hα-helixtrans-67.3-41.2176.9-66.8177.1000111.6V325 C328 L329 L465 M466 G472 L473 F503 I506V325-L469 HydrophobicContact CG1-CD1 4.42Å; C328-L469 HydrophobicContact CB-CD1 4.06Å; L329-L469 HydrophobicContact CD2-CD2 4.08Å; L465-L469 HydrophobicContact CD1-CG 4.48Å; L465-L469 HydrophobicContact CG-CD1 4.46Å; L465-L469 WeakPolarHBondContact O-CG 3.29Å; L465-L469 PolarHBondContact O-N 3.3Å; M466-L469 PolarHBondContact O-N 3.02Å; M466-L469 VanDerWaalsContact O-N 3.09Å; M466-L469 HydrophobicContact SD-CD1 4.32Å; L469-G472 PolarHBondContact O-N 2.7Å; L469-L473 WeakPolarHBondContact O-CG 3.26Å; L469-L473 PolarHBondContact O-N 2.75Å; L469-F503 HydrophobicContact CB-CE1 4.19Å; L469-F503 HydrophobicContact CD2-CD1 3.99Å; L469-F503 HydrophobicContact CD2-CE1 4.01Å; L469-I506 HydrophobicContact CD2-CD1 3.95Å
470E91.5Very high85.9Confident113 Ų11349.9 Ų49.953%0.52825%0.249SC..Hα-helixtrans-65.1-42.9176.6-72.7179.6-174.100112.2M466 G472 L473 K474M466-E470 WeakPolarHBondContact O-CG 3.34Å; M466-E470 PolarHBondContact O-N 2.81Å; E470-G472 VanDerWaalsContact C-N 3.32Å; E470-G472 PolarHBondContact O-N 2.85Å; E470-L473 WeakPolarHBondContact O-CB 3.46Å; E470-L473 PolarHBondContact O-N 3.07Å; E470-K474 PolarHBondContact O-N 3Å
471E90.9Very high87.1Confident62 Ų6253.2 Ų53.229%0.2925%0.253SS..Hα-helixtrans-63.5-39.3174.1-179.962.2-167.200111.4D467 L473 K474 R475 F523D467-E471 WeakPolarHBondContact O-CB 3.48Å; D467-E471 PolarHBondContact O-N 3.29Å; E471-L473 PolarHBondContact O-N 2.75Å; E471-K474 PolarHBondContact O-N 3.2Å; E471-R475 WeakPolarHBondContact O-CG 3.15Å; E471-R475 PolarHBondContact O-N 2.92Å; E471-R475 IonicContact OE1-CZ 2.95Å; E471-R475 IonicContact OE1-NE 3.78Å; E471-R475 PolarHBondContact OE1-NE 3.44Å; E471-R475 IonicContact OE1-NH2 2.71Å; E471-F523 HydrophobicContact CB-CE2 4.33Å; E471-F523 HydrophobicContact CB-CZ 4.15Å; E471-F523 HydrophobicContact CG-CD2 4.39Å; E471-F523 HydrophobicContact CG-CE2 3.77Å; E471-F523 HydrophobicContact CG-CZ 3.99Å
472G91.3Very high88.1Confident2 Ų256.2 Ų56.22%0.02126%0.264CS..Hα-helixtrans-59.8-43.4173.300000112.7L468 L469 E470 S476L468-G472 PolarHBondContact O-N 2.78Å; L469-G472 PolarHBondContact O-N 2.7Å; E470-G472 VanDerWaalsContact C-N 3.32Å; E470-G472 PolarHBondContact O-N 2.85Å; G472-S476 VanDerWaalsContact O-CB 3.25Å; G472-S476 WeakPolarHBondContact O-CB 3.34Å; G472-S476 PolarHBondContact O-N 3.45Å
473L93.6Very high88.7Confident34 Ų3457.7 Ų57.718%0.17826%0.264CS..Hα-helixtrans-62-45.3174.6-74170.2000111.5L469 E470 E471 S476 M477 Q498 R499 A502 F503L469-L473 WeakPolarHBondContact O-CG 3.26Å; L469-L473 PolarHBondContact O-N 2.75Å; E470-L473 WeakPolarHBondContact O-CB 3.46Å; E470-L473 PolarHBondContact O-N 3.07Å; E471-L473 PolarHBondContact O-N 2.75Å; L473-S476 PolarHBondContact O-N 2.79Å; L473-M477 PolarHBondContact O-N 3.33Å; L473-Q498 HydrophobicContact CD2-CG 4.08Å; L473-Q498 WeakPolarHBondContact O-CG 3.45Å; L473-Q498 PolarHBondContact O-NE2 3.08Å; L473-R499 HydrophobicContact CD2-CG 3.95Å; L473-A502 HydrophobicContact CD2-CB 3.8Å; L473-A502 HydrophobicContact CG-CB 4.23Å; L473-F503 HydrophobicContact CD1-CE1 4.42Å; L473-F503 HydrophobicContact CD1-CZ 4.04Å; L473-F503 HydrophobicContact CD2-CE1 4.26Å; L473-F503 HydrophobicContact CD2-CE2 4.35Å; L473-F503 HydrophobicContact CD2-CZ 3.9Å; L473-F503 HydrophobicContact CG-CE1 4.18Å; L473-F503 HydrophobicContact CG-CZ 4.09Å
474K94.1Very high89.1Confident125 Ų12561.6 Ų61.654%0.54328%0.281SS..Hα-helixtrans-60.1-54.2179.1-176.1-175.7173.9-1710111.5E470 E471 S476 M477 D478E470-K474 PolarHBondContact O-N 3Å; E471-K474 PolarHBondContact O-N 3.2Å; K474-S476 VanDerWaalsContact C-N 3.29Å; K474-S476 PolarHBondContact O-N 3.41Å; K474-M477 WeakPolarHBondContact O-CB 3.49Å; K474-M477 PolarHBondContact O-N 3.32Å; K474-D478 PolarHBondContact O-N 3.16Å
475R91.9Very high89Confident81 Ų8159.7 Ų59.731%0.30627%0.274SS..Hα-helixtrans-61.4-36.9179.4-69.3-171.5179.3-140.81.8112.9E471 M477 D478 K479 D524 L527E471-R475 WeakPolarHBondContact O-CG 3.15Å; E471-R475 PolarHBondContact O-N 2.92Å; E471-R475 IonicContact OE1-CZ 2.95Å; E471-R475 IonicContact OE1-NE 3.78Å; E471-R475 PolarHBondContact OE1-NE 3.44Å; E471-R475 IonicContact OE1-NH2 2.71Å; R475-M477 VanDerWaalsContact C-N 3.34Å; R475-D478 PolarHBondContact O-N 3.04Å; R475-K479 PolarHBondContact O-N 3.16Å; R475-K479 VanDerWaalsContact O-N 3.08Å; R475-D524 IonicContact NH1-OD1 3.82Å; R475-D524 PolarHBondContact NH1-OD1 3.11Å; R475-L527 HydrophobicContact CB-CD1 3.6Å
476S91.3Very high88.7Confident0 Ų062.8 Ų62.80%029%0.29CS..Hα-helixtrans-63.6-40.2174.5177.10000112.2G472 L473 K474 L480 Q498 V501G472-S476 VanDerWaalsContact O-CB 3.25Å; G472-S476 WeakPolarHBondContact O-CB 3.34Å; G472-S476 PolarHBondContact O-N 3.45Å; L473-S476 PolarHBondContact O-N 2.79Å; K474-S476 VanDerWaalsContact C-N 3.29Å; K474-S476 PolarHBondContact O-N 3.41Å; S476-L480 VanDerWaalsContact O-CG 3.31Å; S476-L480 WeakPolarHBondContact O-CG 3.29Å; S476-L480 PolarHBondContact O-N 3.29Å; S476-L480 VanDerWaalsContact O-N 3.1Å; S476-Q498 PolarHBondContact OG-O 3.09Å; S476-V501 VanDerWaalsContact OG-CB 3.24Å; S476-V501 WeakPolarHBondContact OG-CB 3.39Å; S476-V501 VanDerWaalsContact OG-CG1 3.3Å; S476-V501 WeakPolarHBondContact OG-CG1 3Å
477M92.1Very high88.3Confident28 Ų2867.3 Ų67.314%0.13831%0.309CS..Hα-helixtrans-66.5-42.6177.2178.961.967.500111.2L473 K474 R475 K479 L480 K481 L494 Q498L473-M477 PolarHBondContact O-N 3.33Å; K474-M477 WeakPolarHBondContact O-CB 3.49Å; K474-M477 PolarHBondContact O-N 3.32Å; R475-M477 VanDerWaalsContact C-N 3.34Å; M477-K479 VanDerWaalsContact C-N 3.34Å; M477-K479 PolarHBondContact O-N 3.1Å; M477-L480 PolarHBondContact O-N 2.96Å; M477-K481 HydrophobicContact CG-CD 4.23Å; M477-K481 WeakPolarHBondContact O-CG 3.46Å; M477-K481 PolarHBondContact O-N 3.14Å; M477-K481 HydrophobicContact SD-CD 4.42Å; M477-K481 HydrophobicContact SD-CG 4.33Å; M477-L494 HydrophobicContact CE-CD2 4.21Å; M477-L494 HydrophobicContact CE-CG 4.08Å; M477-L494 HydrophobicContact SD-CD1 4.41Å; M477-L494 HydrophobicContact SD-CD2 3.96Å; M477-L494 HydrophobicContact SD-CG 4.1Å; M477-Q498 HydrophobicContact CB-CG 4.15Å; M477-Q498 HydrophobicContact CE-CB 4.02Å; M477-Q498 HydrophobicContact CE-CG 4.01Å; M477-Q498 VanDerWaalsContact CE-OE1 3.22Å
478D91.5Very high87.9Confident70 Ų7068.4 Ų68.437%0.37432%0.318SS..Hα-helixtrans-59.2-46.3177.9-65-22.7000110.5K474 R475 L480 K481 E482K474-D478 PolarHBondContact O-N 3.16Å; R475-D478 PolarHBondContact O-N 3.04Å; D478-L480 PolarHBondContact O-N 2.9Å; D478-K481 PolarHBondContact O-N 3.06Å; D478-E482 WeakPolarHBondContact O-CG 3.36Å; D478-E482 PolarHBondContact O-N 3.25Å
479K87.7Confident87.8Confident69 Ų6968.9 Ų68.930%0.332%0.32SS..Hα-helixtrans-62.4-36.2174.8-81.1-170.4167.7-176.20114.3R475 M477 K483 L527R475-K479 PolarHBondContact O-N 3.16Å; R475-K479 VanDerWaalsContact O-N 3.08Å; M477-K479 VanDerWaalsContact C-N 3.34Å; M477-K479 PolarHBondContact O-N 3.1Å; K479-K483 PolarHBondContact O-N 3.45Å; K479-L527 HydrophobicContact CD-CB 3.95Å; K479-L527 VanDerWaalsContact NZ-CB 3.33Å; K479-L527 PolarHBondContact NZ-O 3.28Å
480L87.9Confident87.7Confident13 Ų1372.1 Ų72.17%0.06834%0.34CS..Hα-helixtrans-68.5-38.1176.7-73.2170.5000111.5S476 M477 D478 K483 E484 R485 L494 A497 Q498S476-L480 VanDerWaalsContact O-CG 3.31Å; S476-L480 WeakPolarHBondContact O-CG 3.29Å; S476-L480 PolarHBondContact O-N 3.29Å; S476-L480 VanDerWaalsContact O-N 3.1Å; M477-L480 PolarHBondContact O-N 2.96Å; D478-L480 PolarHBondContact O-N 2.9Å; L480-K483 CarbonylContact O-C 3.6Å; L480-K483 PolarHBondContact O-N 2.9Å; L480-E484 PolarHBondContact O-N 3.38Å; L480-R485 HydrophobicContact CB-CB 4.48Å; L480-R485 HydrophobicContact CD2-CB 4.4Å; L480-R485 HydrophobicContact CD2-CG 4.3Å; L480-R485 WeakPolarHBondContact O-CB 3.4Å; L480-R485 PolarHBondContact O-N 2.95Å; L480-L494 HydrophobicContact CB-CD1 4.27Å; L480-L494 HydrophobicContact CD1-CD1 4.35Å; L480-A497 HydrophobicContact CD1-CB 4.04Å; L480-Q498 HydrophobicContact CD1-CB 4.09Å
481K89.2Confident87.5Confident106 Ų10671.9 Ų71.946%0.46135%0.348SS..Hα-helixtrans-70.5-39.5175.3-71.8176.8177.61770112.8M477 D478 K483 E484 D486M477-K481 HydrophobicContact CG-CD 4.23Å; M477-K481 WeakPolarHBondContact O-CG 3.46Å; M477-K481 PolarHBondContact O-N 3.14Å; M477-K481 HydrophobicContact SD-CD 4.42Å; M477-K481 HydrophobicContact SD-CG 4.33Å; D478-K481 PolarHBondContact O-N 3.06Å; K481-K483 PolarHBondContact O-N 2.91Å; K481-E484 WeakPolarHBondContact O-CA 3.18Å; K481-E484 PolarHBondContact O-N 2.69Å; K481-D486 HydrophobicContact CG-CB 4.3Å
482E87.8Confident87.4Confident151 Ų15175.9 Ų75.971%0.70637%0.367SS*.Hα-helixtrans-57.5-32.7173.2-76.7174.2-179.600112.1D478 E484D478-E482 WeakPolarHBondContact O-CG 3.36Å; D478-E482 PolarHBondContact O-N 3.25Å; E482-E484 VanDerWaalsContact C-N 3.29Å
483K84.3Confident87.2Confident106 Ų10678.2 Ų78.246%0.46138%0.377SS..THydrogen-bonded Turntrans-90.513.6175.2-67.1-169.7174.5-170.50113.9K479 L480 K481 R485 D529K479-K483 PolarHBondContact O-N 3.45Å; L480-K483 CarbonylContact O-C 3.6Å; L480-K483 PolarHBondContact O-N 2.9Å; K481-K483 PolarHBondContact O-N 2.91Å; K483-R485 HydrophobicContact CB-CG 4.05Å; K483-R485 PolarHBondContact O-N 2.94Å; K483-R485 VanDerWaalsContact O-N 3.09Å; K483-D529 VanDerWaalsContact NZ-CB 3.31Å; K483-D529 IonicContact NZ-OD2 3.7Å; K483-D529 PolarHBondContact NZ-OD2 3.05Å
484E85.4Confident87Confident107 Ų10777.7 Ų77.750%0.537%0.374SS..THydrogen-bonded Turntrans54.926.8177.9-50.6-164.7132.800114.4L480 K481 E482 D486 K487L480-E484 PolarHBondContact O-N 3.38Å; K481-E484 WeakPolarHBondContact O-CA 3.18Å; K481-E484 PolarHBondContact O-N 2.69Å; E482-E484 VanDerWaalsContact C-N 3.29Å; E484-D486 VanDerWaalsContact C-N 3.27Å; E484-D486 VanDerWaalsContact C-OD1 3.29Å; E484-D486 WeakPolarHBondContact CA-OD1 3.25Å; E484-D486 PolarHBondContact O-N 2.9Å; E484-K487 HydrophobicContact CB-CD 4.11Å; E484-K487 HydrophobicContact CB-CG 4.45Å; E484-K487 VanDerWaalsContact CD-NZ 3.3Å; E484-K487 WeakPolarHBondContact O-CB 3.18Å; E484-K487 PolarHBondContact O-N 3.37Å; E484-K487 IonicContact OE1-NZ 3.01Å; E484-K487 PolarHBondContact OE1-NZ 3.5Å; E484-K487 IonicContact OE2-NZ 3.27Å
485R81.4Confident86.8Confident65 Ų6575.1 Ų75.125%0.24537%0.369CS..G310 helixtrans-72.9-23.5-178.3-59.6-52-172142.26.2112.8L480 K483 K487 V488 L489 M663L480-R485 HydrophobicContact CB-CB 4.48Å; L480-R485 HydrophobicContact CD2-CB 4.4Å; L480-R485 HydrophobicContact CD2-CG 4.3Å; L480-R485 WeakPolarHBondContact O-CB 3.4Å; L480-R485 PolarHBondContact O-N 2.95Å; K483-R485 HydrophobicContact CB-CG 4.05Å; K483-R485 PolarHBondContact O-N 2.94Å; K483-R485 VanDerWaalsContact O-N 3.09Å; R485-K487 PolarHBondContact O-N 3.44Å; R485-V488 PolarHBondContact O-N 3.12Å; R485-V488 VanDerWaalsContact O-N 3.15Å; R485-L489 HydrophobicContact CB-CD1 4.18Å; R485-L489 WeakPolarHBondContact O-CB 3.33Å; R485-L489 PolarHBondContact O-N 2.86Å; R485-M663 WeakPolarHBondContact CD-OXT 3.44Å; R485-M663 VanDerWaalsContact CG-OXT 3.3Å; R485-M663 WeakPolarHBondContact CG-OXT 3.37Å; R485-M663 PolarHBondContact NE-OXT 2.91Å; R485-M663 PolarHBondContact NH1-O 2.94Å; R485-M663 PolarHBondContact NH1-OXT 2.81Å
486D78.8Confident86.7Confident69 Ų6977.8 Ų77.837%0.36938%0.383SS..G310 helixtrans-61.1-23.117064.7-45.8000113.2K481 E484 L494K481-D486 HydrophobicContact CG-CB 4.3Å; E484-D486 VanDerWaalsContact C-N 3.27Å; E484-D486 VanDerWaalsContact C-OD1 3.29Å; E484-D486 WeakPolarHBondContact CA-OD1 3.25Å; E484-D486 PolarHBondContact O-N 2.9Å; D486-L494 HydrophobicContact CB-CD1 4.5Å; D486-L494 HydrophobicContact CB-CD2 4.06Å
487K77.8Confident86.7Confident141 Ų14177.8 Ų77.861%0.61338%0.383SS*.G310 helixtrans-83.8-19.3176.1-56.2-176.9-172.1170.70113.6E484 R485E484-K487 HydrophobicContact CB-CD 4.11Å; E484-K487 HydrophobicContact CB-CG 4.45Å; E484-K487 VanDerWaalsContact CD-NZ 3.3Å; E484-K487 WeakPolarHBondContact O-CB 3.18Å; E484-K487 PolarHBondContact O-N 3.37Å; E484-K487 IonicContact OE1-NZ 3.01Å; E484-K487 PolarHBondContact OE1-NZ 3.5Å; E484-K487 IonicContact OE2-NZ 3.27Å; R485-K487 PolarHBondContact O-N 3.44Å
488V79.9Confident86.7Confident88 Ų8877.9 Ų77.953%0.53338%0.383SS..THydrogen-bonded Turntrans-108.6-32.6-171.6-1780000112.2R485R485-V488 PolarHBondContact O-N 3.12Å; R485-V488 VanDerWaalsContact O-N 3.15Å
489L84.6Confident86.8Confident15 Ų1579.5 Ų79.58%0.07938%0.384CS..SBendtrans-95.8150.1-177-62.8176.4000111.2R485 E493 A497 R662R485-L489 HydrophobicContact CB-CD1 4.18Å; R485-L489 WeakPolarHBondContact O-CB 3.33Å; R485-L489 PolarHBondContact O-N 2.86Å; L489-E493 HydrophobicContact CB-CB 3.98Å; L489-E493 HydrophobicContact CD2-CB 4.18Å; L489-A497 HydrophobicContact CD1-CB 4.37Å; L489-R662 HydrophobicContact CD2-CB 4.02Å
490T88.5Confident87.1Confident69 Ų6976.5 Ų76.542%0.42337%0.372SS..  trans-68.1160168.264.20000110.9E492 E493 L494T490-E492 PolarHBondContact O-N 3.37Å; T490-E493 PolarHBondContact N-OE2 3.11Å; T490-E493 PolarHBondContact O-N 3.48Å; T490-E493 VanDerWaalsContact O-N 3.13Å; T490-E493 WeakPolarHBondContact OG1-CB 3.24Å; T490-E493 VanDerWaalsContact OG1-CG 3.29Å; T490-E493 WeakPolarHBondContact OG1-CG 3.43Å; T490-E493 PolarHBondContact OG1-N 2.92Å; T490-E493 PolarHBondContact OG1-OE2 2.88Å; T490-L494 WeakPolarHBondContact O-CB 3.3Å; T490-L494 PolarHBondContact O-N 3.4Å
491P87.6Confident87.3Confident108 Ų10876.4 Ų76.470%0.70137%0.372SS*.Hα-helixtrans-54.4-36.4176.9-27.835.7000113.5V495P491-V495 WeakPolarHBondContact O-CG2 3.36Å; P491-V495 PolarHBondContact O-N 3.45Å; P491-V495 VanDerWaalsContact O-N 3.15Å
492E88.2Confident87.5Confident146 Ų14671.4 Ų71.468%0.68235%0.35SS*.Hα-helixtrans-70.8-43.4177.5-64.5-176.7-172.700112.6T490 L494 V495 K496T490-E492 PolarHBondContact O-N 3.37Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 3.36Å; E492-V495 PolarHBondContact O-N 3.07Å; E492-K496 WeakPolarHBondContact O-CG 3.28Å; E492-K496 PolarHBondContact O-N 3.28Å
493E87.6Confident87.8Confident51 Ų5164.9 Ų64.924%0.23832%0.32CS..Hα-helixtrans-63.1-38.1175.1-74.2174140.400111L489 T490 K496 A497 R662L489-E493 HydrophobicContact CB-CB 3.98Å; L489-E493 HydrophobicContact CD2-CB 4.18Å; T490-E493 PolarHBondContact N-OE2 3.11Å; T490-E493 PolarHBondContact O-N 3.48Å; T490-E493 VanDerWaalsContact O-N 3.13Å; T490-E493 WeakPolarHBondContact OG1-CB 3.24Å; T490-E493 VanDerWaalsContact OG1-CG 3.29Å; T490-E493 WeakPolarHBondContact OG1-CG 3.43Å; T490-E493 PolarHBondContact OG1-N 2.92Å; T490-E493 PolarHBondContact OG1-OE2 2.88Å; E493-K496 PolarHBondContact O-N 3.15Å; E493-A497 WeakPolarHBondContact O-CB 3.42Å; E493-A497 PolarHBondContact O-N 2.76Å; E493-R662 IonicContact OE1-CZ 3.84Å; E493-R662 IonicContact OE1-NH1 2.91Å; E493-R662 PolarHBondContact OE1-NH1 2.61Å; E493-R662 IonicContact OE2-NH1 3.61Å; E493-R662 PolarHBondContact OE2-NH1 3.1Å
494L89.4Confident88.2Confident23 Ų2359.9 Ų59.912%0.1230%0.299CS..Hα-helixtrans-64.2-44.4178.4-173.467.2000111.7M477 L480 D486 T490 E492 A497 Q498M477-L494 HydrophobicContact CE-CD2 4.21Å; M477-L494 HydrophobicContact CE-CG 4.08Å; M477-L494 HydrophobicContact SD-CD1 4.41Å; M477-L494 HydrophobicContact SD-CD2 3.96Å; M477-L494 HydrophobicContact SD-CG 4.1Å; L480-L494 HydrophobicContact CB-CD1 4.27Å; L480-L494 HydrophobicContact CD1-CD1 4.35Å; D486-L494 HydrophobicContact CB-CD1 4.5Å; D486-L494 HydrophobicContact CB-CD2 4.06Å; T490-L494 WeakPolarHBondContact O-CB 3.3Å; T490-L494 PolarHBondContact O-N 3.4Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 3.36Å; L494-A497 PolarHBondContact O-N 3.14Å; L494-Q498 WeakPolarHBondContact O-CB 3.48Å; L494-Q498 PolarHBondContact O-N 3.41Å
495V90.4Very high88.7Confident72 Ų7254.9 Ų54.944%0.43628%0.275SS..Hα-helixtrans-65.6-39.5176172.50000111.2P491 E492 Q498 R499P491-V495 WeakPolarHBondContact O-CG2 3.36Å; P491-V495 PolarHBondContact O-N 3.45Å; P491-V495 VanDerWaalsContact O-N 3.15Å; E492-V495 PolarHBondContact O-N 3.07Å; V495-Q498 PolarHBondContact O-N 2.93Å; V495-R499 WeakPolarHBondContact O-CG 3.3Å; V495-R499 PolarHBondContact O-N 3.46Å
496K90.4Very high89.2Confident137 Ų13752 Ų5260%0.59626%0.264SS*.Hα-helixtrans-63.1-45.1174.6-74.4177.2-177.3173.30111.6E492 E493 R499 A500E492-K496 WeakPolarHBondContact O-CG 3.28Å; E492-K496 PolarHBondContact O-N 3.28Å; E493-K496 PolarHBondContact O-N 3.15Å; K496-R499 PolarHBondContact O-N 2.97Å; K496-A500 VanDerWaalsContact O-CB 3.26Å; K496-A500 WeakPolarHBondContact O-CB 3.29Å; K496-A500 PolarHBondContact O-N 3.44Å
497A90.1Very high90Very high0 Ų048.9 Ų48.90%025%0.248CC..Hα-helixtrans-62.1-43.7176.400000111.7L480 L489 E493 L494 A500 V501L480-A497 HydrophobicContact CD1-CB 4.04Å; L489-A497 HydrophobicContact CD1-CB 4.37Å; E493-A497 WeakPolarHBondContact O-CB 3.42Å; E493-A497 PolarHBondContact O-N 2.76Å; L494-A497 PolarHBondContact O-N 3.14Å; A497-A500 PolarHBondContact O-N 3.24Å; A497-V501 VanDerWaalsContact O-CG2 3.3Å; A497-V501 WeakPolarHBondContact O-CG2 3.35Å; A497-V501 PolarHBondContact O-N 3.39Å
498Q93.2Very high90.8Very high30 Ų3042.2 Ų42.214%0.1422%0.219CC..Hα-helixtrans-58.3-50.6175.9-178-164.517.200111.5L473 S476 M477 L480 L494 V495 A500 V501 A502L473-Q498 HydrophobicContact CD2-CG 4.08Å; L473-Q498 WeakPolarHBondContact O-CG 3.45Å; L473-Q498 PolarHBondContact O-NE2 3.08Å; S476-Q498 PolarHBondContact OG-O 3.09Å; M477-Q498 HydrophobicContact CB-CG 4.15Å; M477-Q498 HydrophobicContact CE-CB 4.02Å; M477-Q498 HydrophobicContact CE-CG 4.01Å; M477-Q498 VanDerWaalsContact CE-OE1 3.22Å; L480-Q498 HydrophobicContact CD1-CB 4.09Å; L494-Q498 WeakPolarHBondContact O-CB 3.48Å; L494-Q498 PolarHBondContact O-N 3.41Å; V495-Q498 PolarHBondContact O-N 2.93Å; Q498-A500 PolarHBondContact O-N 2.82Å; Q498-V501 PolarHBondContact O-N 2.91Å; Q498-A502 VanDerWaalsContact O-CB 3.23Å; Q498-A502 WeakPolarHBondContact O-CB 3.4Å; Q498-A502 PolarHBondContact O-N 3Å
499R93Very high91.5Very high103 Ų10338.6 Ų38.639%0.38920%0.198SC..Hα-helixtrans-63.6-42.6179.4-71178.970.6102.2-0.4111.7L473 V495 K496 F503L473-R499 HydrophobicContact CD2-CG 3.95Å; V495-R499 WeakPolarHBondContact O-CG 3.3Å; V495-R499 PolarHBondContact O-N 3.46Å; K496-R499 PolarHBondContact O-N 2.97Å; R499-F503 HydrophobicContact CB-CD2 4.18Å; R499-F503 HydrophobicContact CB-CE2 4.03Å; R499-F503 HydrophobicContact CG-CE2 4.1Å; R499-F503 WeakPolarHBondContact O-CB 3.4Å; R499-F503 VanDerWaalsContact O-CD2 3.27Å; R499-F503 WeakPolarHBondContact O-CD2 3.46Å; R499-F503 PolarHBondContact O-N 2.69Å; R499-F503 VanDerWaalsContact O-N 3.07Å
500A92.6Very high91.9Very high6 Ų638.1 Ų38.15%0.0520%0.195CC..Hα-helixtrans-61.1-45.3178.400000112.2K496 A497 Q498 G504 N658 V660K496-A500 VanDerWaalsContact O-CB 3.26Å; K496-A500 WeakPolarHBondContact O-CB 3.29Å; K496-A500 PolarHBondContact O-N 3.44Å; A497-A500 PolarHBondContact O-N 3.24Å; Q498-A500 PolarHBondContact O-N 2.82Å; A500-G504 WeakPolarHBondContact O-CA 3.4Å; A500-G504 PolarHBondContact O-N 3.4Å; A500-N658 VanDerWaalsContact CB-O 3.26Å; A500-N658 WeakPolarHBondContact CB-O 3.43Å; A500-V660 HydrophobicContact CB-CG1 3.72Å
501V92.7Very high92.2Very high11 Ų1135 Ų357%0.06718%0.176CC..Hα-helixtrans-69-50.5177.3172.80000111.3S476 A497 Q498 G504 C505 L527 M663S476-V501 VanDerWaalsContact OG-CB 3.24Å; S476-V501 WeakPolarHBondContact OG-CB 3.39Å; S476-V501 VanDerWaalsContact OG-CG1 3.3Å; S476-V501 WeakPolarHBondContact OG-CG1 3Å; A497-V501 VanDerWaalsContact O-CG2 3.3Å; A497-V501 WeakPolarHBondContact O-CG2 3.35Å; A497-V501 PolarHBondContact O-N 3.39Å; Q498-V501 PolarHBondContact O-N 2.91Å; V501-G504 PolarHBondContact O-N 3.42Å; V501-C505 VanDerWaalsContact O-CB 3.25Å; V501-C505 WeakPolarHBondContact O-CB 3.39Å; V501-C505 PolarHBondContact O-N 3.13Å; V501-C505 PolarHBondContact O-SG 3.21Å; V501-L527 HydrophobicContact CG1-CD2 3.86Å; V501-M663 HydrophobicContact CB-CE 4.43Å; V501-M663 HydrophobicContact CG2-CE 2.95Å
502A93.3Very high92.6Very high1 Ų130.7 Ų30.71%0.00815%0.148CC..Hα-helixtrans-59.3-57.6-174.700000111.5L473 Q498 G504 I506L473-A502 HydrophobicContact CD2-CB 3.8Å; L473-A502 HydrophobicContact CG-CB 4.23Å; Q498-A502 VanDerWaalsContact O-CB 3.23Å; Q498-A502 WeakPolarHBondContact O-CB 3.4Å; Q498-A502 PolarHBondContact O-N 3Å; A502-G504 VanDerWaalsContact C-N 3.32Å; A502-I506 WeakPolarHBondContact O-CD1 3.47Å; A502-I506 VanDerWaalsContact O-CG1 3.29Å; A502-I506 WeakPolarHBondContact O-CG1 3.44Å; A502-I506 PolarHBondContact O-N 2.67Å
503F93.9Very high92.7Very high14 Ų1428.6 Ų28.66%0.06114%0.138CC..Hα-helixtrans-72.5-32-179.2-53.7-38.7000111.4C328 L469 L473 R499 I506 K507C328-F503 HydrophobicContact CB-CE1 4.36Å; C328-F503 HydrophobicContact CB-CE2 4.42Å; C328-F503 HydrophobicContact CB-CZ 3.98Å; C328-F503 WeakPolarHBondContact O-CD2 3.36Å; C328-F503 VanDerWaalsContact O-CE2 3.23Å; C328-F503 WeakPolarHBondContact O-CE2 3.48Å; L469-F503 HydrophobicContact CB-CE1 4.19Å; L469-F503 HydrophobicContact CD2-CD1 3.99Å; L469-F503 HydrophobicContact CD2-CE1 4.01Å; L473-F503 HydrophobicContact CD1-CE1 4.42Å; L473-F503 HydrophobicContact CD1-CZ 4.04Å; L473-F503 HydrophobicContact CD2-CE1 4.26Å; L473-F503 HydrophobicContact CD2-CE2 4.35Å; L473-F503 HydrophobicContact CD2-CZ 3.9Å; L473-F503 HydrophobicContact CG-CE1 4.18Å; L473-F503 HydrophobicContact CG-CZ 4.09Å; R499-F503 HydrophobicContact CB-CD2 4.18Å; R499-F503 HydrophobicContact CB-CE2 4.03Å; R499-F503 HydrophobicContact CG-CE2 4.1Å; R499-F503 WeakPolarHBondContact O-CB 3.4Å; R499-F503 VanDerWaalsContact O-CD2 3.27Å; R499-F503 WeakPolarHBondContact O-CD2 3.46Å; R499-F503 PolarHBondContact O-N 2.69Å; R499-F503 VanDerWaalsContact O-N 3.07Å; F503-I506 PolarHBondContact O-N 2.82Å; F503-K507 WeakPolarHBondContact O-CB 3.24Å; F503-K507 WeakPolarHBondContact O-CG 3.26Å; F503-K507 PolarHBondContact O-N 2.87Å
504G94.3Very high93.1Very high2 Ų228.3 Ų28.32%0.02114%0.139CC..Hα-helixtrans-64.9-44.8177.900000113A500 V501 A502 K507 Y508 A534 L657A500-G504 WeakPolarHBondContact O-CA 3.4Å; A500-G504 PolarHBondContact O-N 3.4Å; V501-G504 PolarHBondContact O-N 3.42Å; A502-G504 VanDerWaalsContact C-N 3.32Å; G504-K507 PolarHBondContact O-N 3.36Å; G504-Y508 WeakPolarHBondContact O-CB 3Å; G504-Y508 PolarHBondContact O-N 3.22Å; G504-A534 VanDerWaalsContact C-CB 3.48Å; G504-A534 WeakPolarHBondContact O-CB 3.38Å; G504-L657 WeakPolarHBondContact O-CD2 3.49Å
505C94Very high93.3Very high1 Ų128.3 Ų28.31%0.00714%0.137CC..Hα-helixtrans-65.9-39.7176.7-69.30000112.1V501 A509 M526 L527 A534V501-C505 VanDerWaalsContact O-CB 3.25Å; V501-C505 WeakPolarHBondContact O-CB 3.39Å; V501-C505 PolarHBondContact O-N 3.13Å; V501-C505 PolarHBondContact O-SG 3.21Å; C505-A509 WeakPolarHBondContact O-CB 3.36Å; C505-A509 PolarHBondContact O-N 3.43Å; C505-M526 HydrophobicContact CB-CB 4.36Å; C505-M526 HydrophobicContact CB-CG 4.27Å; C505-M526 WeakPolarHBondContact CB-O 3.23Å; C505-M526 PolarHBondContact SG-O 3.47Å; C505-L527 HydrophobicContact CB-CD2 3.95Å; C505-A534 HydrophobicContact CB-CB 4.5Å
506I93.2Very high93.4Very high4 Ų429.2 Ų29.22%0.02114%0.139CC..Hα-helixtrans-62.9-48176.7-67.5167.4000110.7L212 I216 L468 L469 A502 F503 M526L212-I506 HydrophobicContact CD2-CG2 4.05Å; I216-I506 HydrophobicContact CD1-CG2 4.28Å; L468-I506 HydrophobicContact CD2-CD1 4.04Å; L469-I506 HydrophobicContact CD2-CD1 3.95Å; A502-I506 WeakPolarHBondContact O-CD1 3.47Å; A502-I506 VanDerWaalsContact O-CG1 3.29Å; A502-I506 WeakPolarHBondContact O-CG1 3.44Å; A502-I506 PolarHBondContact O-N 2.67Å; F503-I506 PolarHBondContact O-N 2.82Å; I506-M526 HydrophobicContact CG1-SD 4.01Å
507K95Very high93.5Very high4 Ų427.4 Ų27.42%0.01714%0.135CC..Hα-helixtrans-63.9-50.5178.2-71.4-175.1178.5-166.80112.2I216 L329 F503 G504 A509 D510 L511 G656 L657I216-K507 HydrophobicContact CD1-CG 4.22Å; I216-K507 HydrophobicContact CG1-CG 4.13Å; I216-K507 HydrophobicContact CG2-CB 4Å; I216-K507 HydrophobicContact CG2-CG 3.97Å; L329-K507 WeakPolarHBondContact O-CE 3.17Å; L329-K507 PolarHBondContact O-NZ 3.08Å; F503-K507 WeakPolarHBondContact O-CB 3.24Å; F503-K507 WeakPolarHBondContact O-CG 3.26Å; F503-K507 PolarHBondContact O-N 2.87Å; G504-K507 PolarHBondContact O-N 3.36Å; K507-A509 PolarHBondContact O-N 2.87Å; K507-D510 PolarHBondContact O-N 3.37Å; K507-L511 VanDerWaalsContact O-CG 3.31Å; K507-L511 WeakPolarHBondContact O-CG 3.34Å; K507-L511 PolarHBondContact O-N 3.23Å; K507-G656 VanDerWaalsContact CD-O 3.29Å; K507-G656 WeakPolarHBondContact CD-O 3.37Å; K507-G656 PolarHBondContact NZ-O 2.89Å; K507-L657 HydrophobicContact CB-CD2 4.16Å
508Y95.8Very high93.6Very high2 Ų231.8 Ų31.81%0.00816%0.159CC..Hα-helixtrans-66.7-39.1-175.2-170.1-94.4000112.7G504 D510 L511 S512 N532 A534 L537 C601 L604 L655 L657G504-Y508 WeakPolarHBondContact O-CB 3Å; G504-Y508 PolarHBondContact O-N 3.22Å; Y508-D510 PolarHBondContact O-N 3.25Å; Y508-L511 PolarHBondContact O-N 3.43Å; Y508-S512 WeakPolarHBondContact O-CB 3.47Å; Y508-S512 PolarHBondContact O-N 2.86Å; Y508-S512 PolarHBondContact O-OG 2.95Å; Y508-S512 VanDerWaalsContact O-OG 3.07Å; Y508-N532 WeakPolarHBondContact CE1-O 3.42Å; Y508-N532 WeakPolarHBondContact CE1-OD1 3.41Å; Y508-N532 PolarHBondContact OH-OD1 3.07Å; Y508-A534 HydrophobicContact CD1-CB 4.44Å; Y508-A534 HydrophobicContact CG-CB 4.03Å; Y508-L537 HydrophobicContact CD2-CD1 4.16Å; Y508-L537 HydrophobicContact CE1-CD1 4.03Å; Y508-L537 HydrophobicContact CE2-CD1 3.39Å; Y508-L537 WeakPolarHBondContact OH-CD1 3.36Å; Y508-C601 HydrophobicContact CE2-CB 3.71Å; Y508-C601 VanDerWaalsContact CE2-SG 3.51Å; Y508-C601 WeakPolarHBondContact OH-CB 3.42Å; Y508-C601 PolarHBondContact OH-O 2.92Å; Y508-C601 VanDerWaalsContact OH-O 3.05Å; Y508-L604 HydrophobicContact CE2-CD2 4.35Å; Y508-L655 HydrophobicContact CD2-CD1 4.17Å; Y508-L655 HydrophobicContact CE2-CD1 4.15Å; Y508-L657 HydrophobicContact CD2-CD1 3.95Å
509A93.2Very high93.3Very high11 Ų1131 Ų319%0.09115%0.154CC..Hα-helixtrans-63.4-32.6179.400000112.2C505 K507 H513 Y519 M526C505-A509 WeakPolarHBondContact O-CB 3.36Å; C505-A509 PolarHBondContact O-N 3.43Å; K507-A509 PolarHBondContact O-N 2.87Å; A509-H513 PolarHBondContact O-CE1 3.14Å; A509-H513 PolarHBondContact O-ND1 3.36Å; A509-Y519 HydrophobicContact CB-CE2 4.3Å; A509-Y519 VanDerWaalsContact CB-OH 3.31Å; A509-Y519 WeakPolarHBondContact CB-OH 3.15Å; A509-Y519 VanDerWaalsContact O-CE2 3.24Å; A509-Y519 WeakPolarHBondContact O-CE2 3.28Å; A509-M526 HydrophobicContact CB-CB 3.68Å
510D92.8Very high93.2Very high5 Ų528.7 Ų28.73%0.02715%0.152CC..Hα-helixtrans-74.5-45.1173.3-169.227000111.9R213 K507 Y508R213-D510 WeakPolarHBondContact CA-OD2 3.4Å; R213-D510 IonicContact CZ-OD1 3.63Å; R213-D510 IonicContact NE-OD1 3.9Å; R213-D510 PolarHBondContact NE-OD1 3.17Å; R213-D510 IonicContact NE-OD2 3.94Å; R213-D510 IonicContact NH2-OD1 3.2Å; R213-D510 PolarHBondContact NH2-OD1 3.06Å; K507-D510 PolarHBondContact O-N 3.37Å; Y508-D510 PolarHBondContact O-N 3.25Å
511L95.6Very high93.1Very high5 Ų529 Ų293%0.02615%0.152CC..Hα-helixtrans-72.2-28.2-176.4-67.2175.1000114.1I216 I217 K507 Y508 H513 L597 H598 L655I216-L511 HydrophobicContact CG2-CD1 3.91Å; I216-L511 HydrophobicContact CG2-CD2 4.1Å; I216-L511 HydrophobicContact CG2-CG 3.83Å; I217-L511 HydrophobicContact CG1-CD2 4.01Å; K507-L511 VanDerWaalsContact O-CG 3.31Å; K507-L511 WeakPolarHBondContact O-CG 3.34Å; K507-L511 PolarHBondContact O-N 3.23Å; Y508-L511 PolarHBondContact O-N 3.43Å; L511-H513 VanDerWaalsContact C-N 3.28Å; L511-H513 PolarHBondContact O-N 2.91Å; L511-L597 HydrophobicContact CD2-CB 4.24Å; L511-L597 HydrophobicContact CD2-CD1 3.69Å; L511-H598 WeakPolarHBondContact O-CA 3.49Å; L511-H598 WeakPolarHBondContact O-CB 3.14Å; L511-H598 PolarHBondContact O-N 3.16Å; L511-L655 HydrophobicContact CB-CD2 4.33Å; L511-L655 HydrophobicContact CD1-CB 4.2Å; L511-L655 HydrophobicContact CD1-CD2 3.71Å
512S94.9Very high92.9Very high16 Ų1628.7 Ų28.711%0.11215%0.151CC..THydrogen-bonded Turntrans-76.1-15-177.367.90000113.9Y508Y508-S512 WeakPolarHBondContact O-CB 3.47Å; Y508-S512 PolarHBondContact O-N 2.86Å; Y508-S512 PolarHBondContact O-OG 2.95Å; Y508-S512 VanDerWaalsContact O-OG 3.07Å
513H92.1Very high92.7Very high102 Ų10229.9 Ų29.947%0.47216%0.156SC..SBendtrans-96.7153173.3-62.883.5000109.7A509 L511 R515A509-H513 PolarHBondContact O-CE1 3.14Å; A509-H513 PolarHBondContact O-ND1 3.36Å; L511-H513 VanDerWaalsContact C-N 3.28Å; L511-H513 PolarHBondContact O-N 2.91Å; H513-R515 PolarHBondContact O-N 2.97Å; H513-R515 VanDerWaalsContact O-N 3.08Å
514N94.6Very high92.3Very high45 Ų4533.8 Ų33.824%0.24118%0.177CC..  trans-59.1120.2173.2-175.6-24.4000109.7I516 N517N514-I516 PolarHBondContact O-N 2.88Å; N514-I516 VanDerWaalsContact O-N 3.12Å; N514-I516 PolarHBondContact OD1-N 3.5Å; N514-N517 PolarHBondContact O-N 2.98Å
515R93.8Very high92Very high23 Ų2340.7 Ų40.79%0.08721%0.207CC..THydrogen-bonded Turntrans-53.3-35.3-176.664.4175.8171.185.7-2.1113.1I217 A442 G443 F444 G445 H513 N517 D594 L595 L596I217-R515 HydrophobicContact CD1-CB 4.1Å; A442-R515 VanDerWaalsContact CA-NH1 3.31Å; G443-R515 PolarHBondContact O-NH1 3.15Å; F444-R515 CarbonylContact C-O 3.46Å; F444-R515 WeakPolarHBondContact CA-O 3.46Å; F444-R515 HydrophobicContact CB-CB 4.27Å; F444-R515 WeakPolarHBondContact CB-O 3.15Å; G445-R515 PolarHBondContact N-O 3.1Å; H513-R515 PolarHBondContact O-N 2.97Å; H513-R515 VanDerWaalsContact O-N 3.08Å; R515-N517 PolarHBondContact O-N 3.01Å; R515-D594 PolarHBondContact NH2-O 3.12Å; R515-L595 PolarHBondContact NE-O 3.39Å; R515-L596 HydrophobicContact CG-CD2 4Å
516I93.1Very high91.8Very high92 Ų9241 Ų4147%0.47221%0.208SC..THydrogen-bonded Turntrans-65.4-30.7-177.2-59.9173.1000111.2N514 L596N514-I516 PolarHBondContact O-N 2.88Å; N514-I516 VanDerWaalsContact O-N 3.12Å; N514-I516 PolarHBondContact OD1-N 3.5Å; I516-L596 HydrophobicContact CD1-CD2 4.4Å
517N92.8Very high91.6Very high98 Ų9841.1 Ų41.152%0.52421%0.209SC..SBendtrans-79.7157.4-179.2-65.2-19.3000111.6R213 G445 N514 R515R213-N517 PolarHBondContact NH1-O 3.02Å; G445-N517 WeakPolarHBondContact CA-O 3.23Å; N514-N517 PolarHBondContact O-N 2.98Å; R515-N517 PolarHBondContact O-N 3.01Å
518D91.9Very high91.3Very high93 Ų9344 Ų4450%0.49723%0.225SC..  trans-64.5140.2169.1-65.4-18.9000110.6V446 L448V446-D518 HydrophobicContact CG2-CB 4.34Å; V446-D518 VanDerWaalsContact CG2-OD1 3.28Å; V446-D518 WeakPolarHBondContact CG2-OD1 3.23Å; V446-D518 PolarHBondContact N-OD1 3.43Å; V446-D518 WeakPolarHBondContact O-CA 3.4Å; L448-D518 HydrophobicContact CD1-CB 3.73Å; L448-D518 HydrophobicContact CG-CB 4.13Å
519Y88Confident90.8Very high12 Ų1247.3 Ų47.35%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-110.6124.2-175.3167-115.8000110.5V446 V447 L448 A509 F521V446-Y519 PolarHBondContact O-N 2.83Å; V447-Y519 WeakPolarHBondContact CA-O 3.45Å; V447-Y519 HydrophobicContact CG1-CD1 4.19Å; V447-Y519 HydrophobicContact CG2-CD1 4.43Å; L448-Y519 PolarHBondContact N-O 3.07Å; A509-Y519 HydrophobicContact CB-CE2 4.3Å; A509-Y519 VanDerWaalsContact CB-OH 3.31Å; A509-Y519 WeakPolarHBondContact CB-OH 3.15Å; A509-Y519 VanDerWaalsContact O-CE2 3.24Å; A509-Y519 WeakPolarHBondContact O-CE2 3.28Å; Y519-F521 HydrophobicContact CE1-CB 4.09Å; Y519-F521 AromaticContact CE1-CD2 3.92Å; Y519-F521 HydrophobicContact CE1-CD2 3.92Å; Y519-F521 HydrophobicContact CE1-CG 4.48Å
520V90.3Very high90.4Very high56 Ų5656.1 Ų56.134%0.33927%0.273SS..EExtended strand (participates in β ladder)trans-90.5110.1176.6177.90000109.5L448 S522L448-V520 HydrophobicContact CB-CG2 4.23Å; L448-V520 HydrophobicContact CD1-CG2 4.46Å; V520-S522 PolarHBondContact O-N 2.77Å
521F89.6Confident90.2Very high11 Ų1157.2 Ų57.25%0.04829%0.286CS..  trans-77118.3177.7-172.3-80.7000110.7V447 L448 F455 L468 Y519 F523 M526V447-F521 HydrophobicContact CG1-CB 3.96Å; L448-F521 PolarHBondContact O-N 3.14Å; F455-F521 HydrophobicContact CD2-CB 4.11Å; F455-F521 HydrophobicContact CE1-CD1 4.5Å; F455-F521 HydrophobicContact CE2-CB 3.97Å; F455-F521 AromaticContact CE2-CD1 3.65Å; F455-F521 HydrophobicContact CE2-CD1 3.65Å; F455-F521 HydrophobicContact CE2-CG 4.07Å; F455-F521 HydrophobicContact CZ-CB 4.48Å; F455-F521 AromaticContact CZ-CD1 3.6Å; F455-F521 HydrophobicContact CZ-CD1 3.6Å; F455-F521 HydrophobicContact CZ-CE1 4.09Å; F455-F521 HydrophobicContact CZ-CG 4.13Å; L468-F521 HydrophobicContact CD1-CD2 4.47Å; L468-F521 HydrophobicContact CD1-CE1 4.13Å; L468-F521 HydrophobicContact CD1-CE2 3.81Å; L468-F521 HydrophobicContact CD1-CZ 3.63Å; L468-F521 HydrophobicContact CD2-CE2 4.01Å; L468-F521 HydrophobicContact CD2-CZ 3.86Å; L468-F521 HydrophobicContact CG-CE2 4.26Å; L468-F521 HydrophobicContact CG-CZ 3.8Å; Y519-F521 HydrophobicContact CE1-CB 4.09Å; Y519-F521 AromaticContact CE1-CD2 3.92Å; Y519-F521 HydrophobicContact CE1-CD2 3.92Å; Y519-F521 HydrophobicContact CE1-CG 4.48Å; F521-F523 HydrophobicContact CE1-CD1 4.29Å; F521-F523 AromaticContact CE1-CD2 3.7Å; F521-F523 HydrophobicContact CE1-CD2 3.7Å; F521-F523 HydrophobicContact CE1-CE1 4.16Å; F521-F523 AromaticContact CE1-CE2 3.56Å; F521-F523 HydrophobicContact CE1-CE2 3.56Å; F521-F523 HydrophobicContact CE1-CG 4.07Å; F521-F523 AromaticContact CE1-CZ 3.8Å; F521-F523 HydrophobicContact CE1-CZ 3.8Å; F521-F523 HydrophobicContact CZ-CD1 4.22Å; F521-F523 HydrophobicContact CZ-CD2 4.34Å; F521-F523 AromaticContact CZ-CE1 3.81Å; F521-F523 HydrophobicContact CZ-CE1 3.81Å; F521-F523 AromaticContact CZ-CE2 3.95Å; F521-F523 HydrophobicContact CZ-CE2 3.95Å; F521-F523 HydrophobicContact CZ-CG 4.47Å; F521-F523 AromaticContact CZ-CZ 3.67Å; F521-F523 HydrophobicContact CZ-CZ 3.67Å; F521-M526 HydrophobicContact CD1-CE 4.16Å; F521-M526 HydrophobicContact CD2-CE 3.82Å; F521-M526 HydrophobicContact CE1-CE 3.89Å; F521-M526 HydrophobicContact CE2-CE 3.52Å; F521-M526 HydrophobicContact CE2-SD 4.45Å; F521-M526 HydrophobicContact CG-CE 4.12Å; F521-M526 HydrophobicContact CZ-CE 3.55Å; F521-M526 HydrophobicContact CZ-SD 4.31Å
522S89.8Confident90Very high5 Ų559.5 Ų59.54%0.03530%0.298CS..  trans-143.3114.9176.7173.70000110.5E450 V520 D524 K525 M526E450-S522 WeakPolarHBondContact OE1-CB 3.39Å; E450-S522 PolarHBondContact OE1-OG 2.91Å; V520-S522 PolarHBondContact O-N 2.77Å; S522-D524 VanDerWaalsContact C-N 3.28Å; S522-D524 PolarHBondContact O-N 2.91Å; S522-K525 PolarHBondContact OG-N 3.4Å; S522-M526 WeakPolarHBondContact O-CE 3.36Å; S522-M526 WeakPolarHBondContact O-CG 3.26Å; S522-M526 PolarHBondContact O-N 3.24Å; S522-M526 VanDerWaalsContact O-N 3.1Å
523F87.5Confident90Very high27 Ų2759.3 Ų59.312%0.11830%0.296CS..Hα-helixtrans-61-39.2178.4-85.7-62.5000112.1L468 E471 F521 M526 L527L468-F523 HydrophobicContact CG-CZ 4.1Å; L468-F523 WeakPolarHBondContact O-CZ 3.39Å; E471-F523 HydrophobicContact CB-CE2 4.33Å; E471-F523 HydrophobicContact CB-CZ 4.15Å; E471-F523 HydrophobicContact CG-CD2 4.39Å; E471-F523 HydrophobicContact CG-CE2 3.77Å; E471-F523 HydrophobicContact CG-CZ 3.99Å; F521-F523 HydrophobicContact CE1-CD1 4.29Å; F521-F523 AromaticContact CE1-CD2 3.7Å; F521-F523 HydrophobicContact CE1-CD2 3.7Å; F521-F523 HydrophobicContact CE1-CE1 4.16Å; F521-F523 AromaticContact CE1-CE2 3.56Å; F521-F523 HydrophobicContact CE1-CE2 3.56Å; F521-F523 HydrophobicContact CE1-CG 4.07Å; F521-F523 AromaticContact CE1-CZ 3.8Å; F521-F523 HydrophobicContact CE1-CZ 3.8Å; F521-F523 HydrophobicContact CZ-CD1 4.22Å; F521-F523 HydrophobicContact CZ-CD2 4.34Å; F521-F523 AromaticContact CZ-CE1 3.81Å; F521-F523 HydrophobicContact CZ-CE1 3.81Å; F521-F523 AromaticContact CZ-CE2 3.95Å; F521-F523 HydrophobicContact CZ-CE2 3.95Å; F521-F523 HydrophobicContact CZ-CG 4.47Å; F521-F523 AromaticContact CZ-CZ 3.67Å; F521-F523 HydrophobicContact CZ-CZ 3.67Å; F523-M526 HydrophobicContact CD1-SD 4.04Å; F523-M526 HydrophobicContact CE1-SD 4.49Å; F523-M526 WeakPolarHBondContact O-CG 3.3Å; F523-L527 HydrophobicContact CD1-CD1 4.39Å; F523-L527 VanDerWaalsContact O-CB 3.28Å; F523-L527 WeakPolarHBondContact O-CB 3.27Å; F523-L527 WeakPolarHBondContact O-CG 3.5Å; F523-L527 PolarHBondContact O-N 3.35Å
524D87.3Confident90Very high96 Ų9654.5 Ų54.551%0.51327%0.274SS..Hα-helixtrans-68.7-42.7-174.7-62.7-21.5000110.8R475 S522 D528R475-D524 IonicContact NH1-OD1 3.82Å; R475-D524 PolarHBondContact NH1-OD1 3.11Å; S522-D524 VanDerWaalsContact C-N 3.28Å; S522-D524 PolarHBondContact O-N 2.91Å; D524-D528 PolarHBondContact O-N 2.68Å
525K88.2Confident89.9Confident147 Ų14753.1 Ų53.164%0.63927%0.269SS*.Hα-helixtrans-67.3-44176-68-177.3-179.8179.50112.9S522 L527 D528 T533S522-K525 PolarHBondContact OG-N 3.4Å; K525-L527 VanDerWaalsContact C-N 3.33Å; K525-L527 PolarHBondContact O-N 3.43Å; K525-D528 WeakPolarHBondContact O-CB 3.48Å; K525-D528 PolarHBondContact O-N 3.34Å; K525-T533 WeakPolarHBondContact O-CG2 3.3Å
526M89.6Confident89.9Confident8 Ų854 Ų544%0.03927%0.272CS..Hα-helixtrans-72.1-28.4-176.670.3-179.671.400113.1C505 I506 A509 F521 S522 F523C505-M526 HydrophobicContact CB-CB 4.36Å; C505-M526 HydrophobicContact CB-CG 4.27Å; C505-M526 WeakPolarHBondContact CB-O 3.23Å; C505-M526 PolarHBondContact SG-O 3.47Å; I506-M526 HydrophobicContact CG1-SD 4.01Å; A509-M526 HydrophobicContact CB-CB 3.68Å; F521-M526 HydrophobicContact CD1-CE 4.16Å; F521-M526 HydrophobicContact CD2-CE 3.82Å; F521-M526 HydrophobicContact CE1-CE 3.89Å; F521-M526 HydrophobicContact CE2-CE 3.52Å; F521-M526 HydrophobicContact CE2-SD 4.45Å; F521-M526 HydrophobicContact CG-CE 4.12Å; F521-M526 HydrophobicContact CZ-CE 3.55Å; F521-M526 HydrophobicContact CZ-SD 4.31Å; S522-M526 WeakPolarHBondContact O-CE 3.36Å; S522-M526 WeakPolarHBondContact O-CG 3.26Å; S522-M526 PolarHBondContact O-N 3.24Å; S522-M526 VanDerWaalsContact O-N 3.1Å; F523-M526 HydrophobicContact CD1-SD 4.04Å; F523-M526 HydrophobicContact CE1-SD 4.49Å; F523-M526 WeakPolarHBondContact O-CG 3.3Å
527L88.2Confident90Very high6 Ų649.6 Ų49.63%0.03125%0.25CC..THydrogen-bonded Turntrans-90.7-0.3177.7-67.5168.8000112.6R475 K479 V501 C505 F523 K525 D529R475-L527 HydrophobicContact CB-CD1 3.6Å; K479-L527 HydrophobicContact CD-CB 3.95Å; K479-L527 VanDerWaalsContact NZ-CB 3.33Å; K479-L527 PolarHBondContact NZ-O 3.28Å; V501-L527 HydrophobicContact CG1-CD2 3.86Å; C505-L527 HydrophobicContact CB-CD2 3.95Å; F523-L527 HydrophobicContact CD1-CD1 4.39Å; F523-L527 VanDerWaalsContact O-CB 3.28Å; F523-L527 WeakPolarHBondContact O-CB 3.27Å; F523-L527 WeakPolarHBondContact O-CG 3.5Å; F523-L527 PolarHBondContact O-N 3.35Å; K525-L527 VanDerWaalsContact C-N 3.33Å; K525-L527 PolarHBondContact O-N 3.43Å; L527-D529 PolarHBondContact O-N 3.47Å
528D89.2Confident90Very high65 Ų6545 Ų4535%0.34823%0.225SC..  trans-57.3135.8178.5-163.1-24.2000110.1D524 K525 R530 T533D524-D528 PolarHBondContact O-N 2.68Å; K525-D528 WeakPolarHBondContact O-CB 3.48Å; K525-D528 PolarHBondContact O-N 3.34Å; D528-R530 PolarHBondContact OD1-N 3.42Å; D528-T533 HydrophobicContact CB-CG2 4.32Å; D528-T533 WeakPolarHBondContact O-CB 3.18Å; D528-T533 PolarHBondContact O-OG1 2.94Å
529D84.3Confident90Very high70 Ų7045 Ų4537%0.37422%0.219SC..SBendtrans-82.8-5.6179.968.6-23.1000112.8K483 L527K483-D529 VanDerWaalsContact NZ-CB 3.31Å; K483-D529 IonicContact NZ-OD2 3.7Å; K483-D529 PolarHBondContact NZ-OD2 3.05Å; L527-D529 PolarHBondContact O-N 3.47Å
530R85.8Confident90.2Very high196 Ų19645 Ų4574%0.7422%0.221SC*.SBendtrans-115.5148.7174.8-61179.9-171.8-168.41.2110.9D528D528-R530 PolarHBondContact OD1-N 3.42Å
531G87.9Confident90.4Very high29 Ų2942.4 Ų42.430%0.29921%0.205SC..SBendtrans89.7-162.9175.600000113.6T533 Y536 Y605G531-T533 VanDerWaalsContact C-N 3.3Å; G531-T533 PolarHBondContact O-N 2.89Å; G531-Y536 WeakPolarHBondContact O-CB 3.25Å; G531-Y536 WeakPolarHBondContact O-CD1 3.31Å; G531-Y605 VanDerWaalsContact O-CE2 3.27Å; G531-Y605 WeakPolarHBondContact O-CE2 3.25Å
532N92.3Very high90.5Very high52 Ų5242.3 Ų42.328%0.27821%0.206SC..SBendtrans-82.571.2-174.9-169.98.2000111Y508 Y605Y508-N532 WeakPolarHBondContact CE1-O 3.42Å; Y508-N532 WeakPolarHBondContact CE1-OD1 3.41Å; Y508-N532 PolarHBondContact OH-OD1 3.07Å; N532-Y605 HydrophobicContact CB-CD1 4.2Å; N532-Y605 HydrophobicContact CB-CD2 4.07Å; N532-Y605 HydrophobicContact CB-CE1 4.36Å; N532-Y605 HydrophobicContact CB-CE2 4.26Å; N532-Y605 HydrophobicContact CB-CG 4.05Å; N532-Y605 WeakPolarHBondContact OD1-CB 3.36Å
533T93.4Very high90.6Very high13 Ų1347.1 Ų47.18%0.0822%0.223CC..SBendtrans-128.7156-178.866.80000111.7K525 D528 G531 A535 Y536 L537K525-T533 WeakPolarHBondContact O-CG2 3.3Å; D528-T533 HydrophobicContact CB-CG2 4.32Å; D528-T533 WeakPolarHBondContact O-CB 3.18Å; D528-T533 PolarHBondContact O-OG1 2.94Å; G531-T533 VanDerWaalsContact C-N 3.3Å; G531-T533 PolarHBondContact O-N 2.89Å; T533-A535 PolarHBondContact O-N 3.41Å; T533-Y536 PolarHBondContact O-N 3.45Å; T533-Y536 PolarHBondContact OG1-N 3.5Å; T533-L537 WeakPolarHBondContact O-CG 3.48Å; T533-L537 PolarHBondContact O-N 3.23Å; T533-L537 VanDerWaalsContact O-N 3.08Å
534A93.4Very high90.8Very high1 Ų146 Ų461%0.00822%0.218CC..Hα-helixtrans-63.3-33.2173.700000112.1G504 C505 Y508 Y536 L537 L538G504-A534 VanDerWaalsContact C-CB 3.48Å; G504-A534 WeakPolarHBondContact O-CB 3.38Å; C505-A534 HydrophobicContact CB-CB 4.5Å; Y508-A534 HydrophobicContact CD1-CB 4.44Å; Y508-A534 HydrophobicContact CG-CB 4.03Å; A534-Y536 VanDerWaalsContact C-N 3.34Å; A534-Y536 PolarHBondContact O-N 3.37Å; A534-L537 PolarHBondContact O-N 2.92Å; A534-L538 VanDerWaalsContact O-CB 3.28Å; A534-L538 WeakPolarHBondContact O-CB 3.48Å; A534-L538 WeakPolarHBondContact O-CG 3.49Å; A534-L538 PolarHBondContact O-N 2.99Å
535A91.9Very high91Very high15 Ų1543.1 Ų43.112%0.12420%0.2CC..Hα-helixtrans-59.3-45.7176.900000111.3T533 Y539T533-A535 PolarHBondContact O-N 3.41Å; A535-Y539 VanDerWaalsContact O-CB 3.28Å; A535-Y539 WeakPolarHBondContact O-CB 3.5Å; A535-Y539 PolarHBondContact O-N 3.37Å; A535-Y539 VanDerWaalsContact O-N 3.15Å
536Y93.1Very high91Very high41 Ų4137.4 Ų37.416%0.16118%0.179CC..Hα-helixtrans-62.9-47.2173.5170.5-104.8000111.8G531 T533 A534 Y539 A540 Y605 A608G531-Y536 WeakPolarHBondContact O-CB 3.25Å; G531-Y536 WeakPolarHBondContact O-CD1 3.31Å; T533-Y536 PolarHBondContact O-N 3.45Å; T533-Y536 PolarHBondContact OG1-N 3.5Å; A534-Y536 VanDerWaalsContact C-N 3.34Å; A534-Y536 PolarHBondContact O-N 3.37Å; Y536-Y539 PolarHBondContact O-N 2.85Å; Y536-A540 WeakPolarHBondContact O-CB 3.45Å; Y536-A540 PolarHBondContact O-N 3.01Å; Y536-Y605 AromaticContact CD1-CD2 3.93Å; Y536-Y605 HydrophobicContact CD1-CD2 3.93Å; Y536-Y605 AromaticContact CD1-CE2 3.7Å; Y536-Y605 HydrophobicContact CD1-CE2 3.7Å; Y536-Y605 AromaticContact CE1-CD2 3.84Å; Y536-Y605 HydrophobicContact CE1-CD2 3.84Å; Y536-Y605 AromaticContact CE1-CE2 3.55Å; Y536-Y605 HydrophobicContact CE1-CE2 3.55Å; Y536-A608 HydrophobicContact CE1-CB 4.02Å
537L95.2Very high91Very high0 Ų037.5 Ų37.50%018%0.179CC..Hα-helixtrans-66.6-43.4-175.9-69.1173.9000113.4Y508 T533 A534 Y539 A540 F541 L604 Y605 A608 F652Y508-L537 HydrophobicContact CD2-CD1 4.16Å; Y508-L537 HydrophobicContact CE1-CD1 4.03Å; Y508-L537 HydrophobicContact CE2-CD1 3.39Å; Y508-L537 WeakPolarHBondContact OH-CD1 3.36Å; T533-L537 WeakPolarHBondContact O-CG 3.48Å; T533-L537 PolarHBondContact O-N 3.23Å; T533-L537 VanDerWaalsContact O-N 3.08Å; A534-L537 PolarHBondContact O-N 2.92Å; L537-Y539 VanDerWaalsContact C-N 3.32Å; L537-A540 PolarHBondContact O-N 3.43Å; L537-F541 WeakPolarHBondContact O-CB 3.32Å; L537-F541 PolarHBondContact O-N 2.88Å; L537-L604 HydrophobicContact CD1-CD2 3.78Å; L537-L604 HydrophobicContact CD1-CG 3.89Å; L537-L604 HydrophobicContact CD2-CG 4.1Å; L537-Y605 HydrophobicContact CD2-CD2 4.41Å; L537-A608 HydrophobicContact CD2-CB 3.81Å; L537-F652 HydrophobicContact CB-CE1 3.92Å; L537-F652 HydrophobicContact CB-CZ 4.01Å
538L93.2Very high90.9Very high1 Ų137.8 Ų37.81%0.00518%0.183CC..Hα-helixtrans-63.3-41.3175.7-69.9172000110.5A534 F541 T542 F652 M663A534-L538 VanDerWaalsContact O-CB 3.28Å; A534-L538 WeakPolarHBondContact O-CB 3.48Å; A534-L538 WeakPolarHBondContact O-CG 3.49Å; A534-L538 PolarHBondContact O-N 2.99Å; L538-F541 PolarHBondContact O-N 3.48Å; L538-T542 WeakPolarHBondContact O-CG2 3.41Å; L538-T542 PolarHBondContact O-N 2.89Å; L538-F652 HydrophobicContact CD2-CE2 4.41Å; L538-F652 HydrophobicContact CD2-CZ 4.34Å; L538-M663 HydrophobicContact CB-CE 4.14Å; L538-M663 HydrophobicContact CB-SD 4.28Å
539Y91.3Very high90.7Very high95 Ų9539.8 Ų39.837%0.37319%0.185SC..Hα-helixtrans-63.5-47.5173.8174.9-107.4000111.9A535 Y536 L537 F541 T542 R543A535-Y539 VanDerWaalsContact O-CB 3.28Å; A535-Y539 WeakPolarHBondContact O-CB 3.5Å; A535-Y539 PolarHBondContact O-N 3.37Å; A535-Y539 VanDerWaalsContact O-N 3.15Å; Y536-Y539 PolarHBondContact O-N 2.85Å; L537-Y539 VanDerWaalsContact C-N 3.32Å; Y539-F541 VanDerWaalsContact C-N 3.3Å; Y539-F541 PolarHBondContact O-N 2.99Å; Y539-T542 PolarHBondContact O-N 3Å; Y539-T542 VanDerWaalsContact O-N 3.16Å; Y539-T542 PolarHBondContact O-OG1 3.44Å; Y539-R543 PolarHBondContact O-N 3.09Å
540A93Very high90.7Very high11 Ų1141.7 Ų41.79%0.09120%0.195CC..Hα-helixtrans-57.9-43.2177.100000111.5Y536 L537 T542 R543 I544 A608Y536-A540 WeakPolarHBondContact O-CB 3.45Å; Y536-A540 PolarHBondContact O-N 3.01Å; L537-A540 PolarHBondContact O-N 3.43Å; A540-T542 PolarHBondContact O-N 2.82Å; A540-R543 WeakPolarHBondContact O-CB 3.47Å; A540-R543 PolarHBondContact O-N 3.25Å; A540-I544 VanDerWaalsContact O-CG1 3.3Å; A540-I544 WeakPolarHBondContact O-CG1 3.4Å; A540-I544 PolarHBondContact O-N 2.98Å; A540-A608 HydrophobicContact CB-CB 4.36Å
541F94.9Very high90.6Very high2 Ų232.8 Ų32.81%0.00916%0.163CC..Hα-helixtrans-59.2-47174.6176.5-99.1000112.6L537 L538 Y539 R543 I544 R545 A645 M648 A649 F652 P659L537-F541 WeakPolarHBondContact O-CB 3.32Å; L537-F541 PolarHBondContact O-N 2.88Å; L538-F541 PolarHBondContact O-N 3.48Å; Y539-F541 VanDerWaalsContact C-N 3.3Å; Y539-F541 PolarHBondContact O-N 2.99Å; F541-R543 VanDerWaalsContact C-N 3.27Å; F541-R543 PolarHBondContact O-N 3.47Å; F541-I544 PolarHBondContact O-N 3.33Å; F541-R545 HydrophobicContact CD1-CG 4.48Å; F541-R545 HydrophobicContact CE1-CG 4.02Å; F541-R545 HydrophobicContact CE2-CG 4.25Å; F541-R545 HydrophobicContact CZ-CG 3.9Å; F541-R545 PolarHBondContact O-N 3.17Å; F541-A645 HydrophobicContact CE2-CB 4.11Å; F541-A645 WeakPolarHBondContact CE2-O 3.43Å; F541-M648 HydrophobicContact CB-CE 4.11Å; F541-M648 HydrophobicContact CD2-CB 3.99Å; F541-A649 HydrophobicContact CE2-CB 4.02Å; F541-A649 HydrophobicContact CZ-CB 4.3Å; F541-F652 HydrophobicContact CB-CE2 3.66Å; F541-F652 HydrophobicContact CB-CZ 4.12Å; F541-F652 HydrophobicContact CD1-CE2 4.37Å; F541-F652 HydrophobicContact CD2-CD2 4.46Å; F541-F652 AromaticContact CD2-CE2 3.85Å; F541-F652 HydrophobicContact CD2-CE2 3.85Å; F541-F652 AromaticContact CG-CE2 3.7Å; F541-F652 HydrophobicContact CG-CE2 3.7Å; F541-P659 HydrophobicContact CD1-CB 3.94Å; F541-P659 HydrophobicContact CE1-CB 3.66Å; F541-P659 HydrophobicContact CZ-CB 4.16Å
542T91.8Very high90.3Very high9 Ų938.8 Ų38.86%0.05519%0.188CC..Hα-helixtrans-63.4-34.9177.968.80000111.9L538 Y539 A540 S546 V660 M663L538-T542 WeakPolarHBondContact O-CG2 3.41Å; L538-T542 PolarHBondContact O-N 2.89Å; Y539-T542 PolarHBondContact O-N 3Å; Y539-T542 VanDerWaalsContact O-N 3.16Å; Y539-T542 PolarHBondContact O-OG1 3.44Å; A540-T542 PolarHBondContact O-N 2.82Å; T542-S546 VanDerWaalsContact O-CB 3.3Å; T542-S546 WeakPolarHBondContact O-CB 3.23Å; T542-S546 PolarHBondContact O-N 3.1Å; T542-V660 HydrophobicContact CG2-CG2 3.96Å; T542-V660 WeakPolarHBondContact CG2-O 3.31Å; T542-M663 HydrophobicContact CG2-CB 3.56Å
543R91Very high89.9Confident105 Ų10537.7 Ų37.740%0.39618%0.182SC..Hα-helixtrans-65.6-44.4175.3-175.3175.1171.2177.7-7.4111.2Y539 A540 F541 S546 I547Y539-R543 PolarHBondContact O-N 3.09Å; A540-R543 WeakPolarHBondContact O-CB 3.47Å; A540-R543 PolarHBondContact O-N 3.25Å; F541-R543 VanDerWaalsContact C-N 3.27Å; F541-R543 PolarHBondContact O-N 3.47Å; R543-S546 WeakPolarHBondContact O-CB 3.35Å; R543-S546 PolarHBondContact O-N 3.32Å; R543-I547 WeakPolarHBondContact O-CG1 3.32Å; R543-I547 PolarHBondContact O-N 3.08Å
544I92.6Very high89.4Confident3 Ų341.3 Ų41.32%0.01520%0.202CC..Hα-helixtrans-59.3-51.7176.3-63.9161.4000110.3A540 F541 S546 I547 F611 C641 T644 A645 M648A540-I544 VanDerWaalsContact O-CG1 3.3Å; A540-I544 WeakPolarHBondContact O-CG1 3.4Å; A540-I544 PolarHBondContact O-N 2.98Å; F541-I544 PolarHBondContact O-N 3.33Å; I544-S546 PolarHBondContact O-N 3.44Å; I544-I547 WeakPolarHBondContact O-CB 3.3Å; I544-I547 PolarHBondContact O-N 3.46Å; I544-I547 VanDerWaalsContact O-N 3.09Å; I544-F611 HydrophobicContact CB-CE1 4.49Å; I544-F611 HydrophobicContact CB-CZ 4.36Å; I544-F611 HydrophobicContact CD1-CD1 3.96Å; I544-F611 HydrophobicContact CD1-CD2 4.33Å; I544-F611 HydrophobicContact CD1-CE1 4.24Å; I544-F611 HydrophobicContact CD1-CG 4.03Å; I544-F611 HydrophobicContact CG1-CD1 3.65Å; I544-F611 HydrophobicContact CG1-CD2 4.28Å; I544-F611 HydrophobicContact CG1-CE1 3.42Å; I544-F611 VanDerWaalsContact CG1-CE1 3.42Å; I544-F611 HydrophobicContact CG1-CE2 4.07Å; I544-F611 HydrophobicContact CG1-CG 4.1Å; I544-F611 HydrophobicContact CG1-CZ 3.65Å; I544-F611 HydrophobicContact CG2-CE2 4.23Å; I544-F611 HydrophobicContact CG2-CZ 4.19Å; I544-C641 HydrophobicContact CG2-CB 4.11Å; I544-C641 VanDerWaalsContact CG2-O 3.27Å; I544-C641 WeakPolarHBondContact CG2-O 3.36Å; I544-T644 HydrophobicContact CD1-CG2 3.92Å; I544-A645 HydrophobicContact CG2-CB 3.89Å; I544-M648 HydrophobicContact CD1-SD 3.46Å; I544-M648 WeakPolarHBondContact CD1-SD 3.35Å
545R90.4Very high88.8Confident36 Ų3648.2 Ų48.214%0.13623%0.234CC..Hα-helixtrans-60.5-32.2177.2-71-71.8-178.2-169.3-6.9112.3F541 I547 R549 E642 A645F541-R545 HydrophobicContact CD1-CG 4.48Å; F541-R545 HydrophobicContact CE1-CG 4.02Å; F541-R545 HydrophobicContact CE2-CG 4.25Å; F541-R545 HydrophobicContact CZ-CG 3.9Å; F541-R545 PolarHBondContact O-N 3.17Å; R545-I547 VanDerWaalsContact C-N 3.3Å; R545-I547 PolarHBondContact O-N 2.84Å; R545-R549 PolarHBondContact O-N 2.95Å; R545-E642 IonicContact CZ-OE1 2.78Å; R545-E642 IonicContact CZ-OE2 3.77Å; R545-E642 IonicContact NH1-OE1 2.79Å; R545-E642 PolarHBondContact NH1-OE1 2.88Å; R545-E642 IonicContact NH1-OE2 3.78Å; R545-E642 PolarHBondContact NH1-OE2 2.66Å; R545-E642 IonicContact NH2-OE1 3.75Å; R545-E642 PolarHBondContact NH2-OE1 3.05Å; R545-A645 HydrophobicContact CG-CB 4.43Å
546S89.1Confident88.4Confident28 Ų2850.6 Ų50.620%0.19625%0.253CS..Hα-helixtrans-67.6-25.5177.3-164.30000113.7T542 R543 I544 R549 L550T542-S546 VanDerWaalsContact O-CB 3.3Å; T542-S546 WeakPolarHBondContact O-CB 3.23Å; T542-S546 PolarHBondContact O-N 3.1Å; R543-S546 WeakPolarHBondContact O-CB 3.35Å; R543-S546 PolarHBondContact O-N 3.32Å; I544-S546 PolarHBondContact O-N 3.44Å; S546-R549 VanDerWaalsContact CB-NH2 3.29Å; S546-R549 PolarHBondContact O-N 3.17Å; S546-R549 PolarHBondContact OG-NH2 3.29Å; S546-L550 WeakPolarHBondContact O-CB 3.41Å; S546-L550 VanDerWaalsContact O-CG 3.23Å; S546-L550 WeakPolarHBondContact O-CG 3.44Å; S546-L550 PolarHBondContact O-N 3.45Å
547I89.4Confident88.1Confident9 Ų951.1 Ų51.15%0.04626%0.263CS..Hα-helixtrans-65.5-45.7179.9-60.6161.1000110R543 I544 R545 L550 A551 F611 Y615 C620 V621 M638R543-I547 WeakPolarHBondContact O-CG1 3.32Å; R543-I547 PolarHBondContact O-N 3.08Å; I544-I547 WeakPolarHBondContact O-CB 3.3Å; I544-I547 PolarHBondContact O-N 3.46Å; I544-I547 VanDerWaalsContact O-N 3.09Å; R545-I547 VanDerWaalsContact C-N 3.3Å; R545-I547 PolarHBondContact O-N 2.84Å; I547-L550 PolarHBondContact O-N 2.88Å; I547-A551 WeakPolarHBondContact O-CB 3.09Å; I547-A551 PolarHBondContact O-N 3.22Å; I547-A551 VanDerWaalsContact O-N 3.13Å; I547-F611 HydrophobicContact CD1-CE1 4.18Å; I547-F611 HydrophobicContact CD1-CZ 3.71Å; I547-Y615 HydrophobicContact CD1-CD2 3.59Å; I547-Y615 HydrophobicContact CD1-CE2 3.37Å; I547-Y615 HydrophobicContact CG1-CE2 3.85Å; I547-Y615 HydrophobicContact CG2-CE2 4.44Å; I547-C620 HydrophobicContact CG2-CB 4.2Å; I547-V621 HydrophobicContact CG2-CG2 4.37Å; I547-M638 HydrophobicContact CG2-CE 3.87Å; I547-M638 HydrophobicContact CG2-SD 3.96Å
548A86.3Confident87.6Confident12 Ų1251.6 Ų51.610%0.09927%0.266CS..Hα-helixtrans-61.5-44.9174.900000111.9L550 A551 N552 L553 L558 M638A548-L550 PolarHBondContact O-N 3.09Å; A548-A551 CarbonylContact O-C 3.53Å; A548-A551 WeakPolarHBondContact O-CB 3.42Å; A548-A551 PolarHBondContact O-N 2.97Å; A548-A551 VanDerWaalsContact O-N 3.15Å; A548-N552 PolarHBondContact O-N 3.39Å; A548-L553 PolarHBondContact O-N 2.91Å; A548-L553 VanDerWaalsContact O-N 3.09Å; A548-L558 HydrophobicContact CB-CD1 4.06Å; A548-M638 VanDerWaalsContact CA-CE 3.48Å; A548-M638 HydrophobicContact CB-CE 3.97Å
549R85.3Confident87.2Confident107 Ų10759 Ų5940%0.40429%0.293SS..Hα-helixtrans-62.3-42.9178.1-174.8173.958.9-128-2.7112.8R545 S546 A551 N552 Q661R545-R549 PolarHBondContact O-N 2.95Å; S546-R549 VanDerWaalsContact CB-NH2 3.29Å; S546-R549 PolarHBondContact O-N 3.17Å; S546-R549 PolarHBondContact OG-NH2 3.29Å; R549-A551 PolarHBondContact O-N 3Å; R549-N552 PolarHBondContact O-N 3.4Å; R549-Q661 PolarHBondContact NH1-O 3.08Å; R549-Q661 VanDerWaalsContact NH1-O 3.14Å
550L83.1Confident87.1Confident110 Ų11061.5 Ų61.558%0.57631%0.306SS*.Hα-helixtrans-67.7-24177-74.6170.8000112.8S546 I547 A548S546-L550 WeakPolarHBondContact O-CB 3.41Å; S546-L550 VanDerWaalsContact O-CG 3.23Å; S546-L550 WeakPolarHBondContact O-CG 3.44Å; S546-L550 PolarHBondContact O-N 3.45Å; I547-L550 PolarHBondContact O-N 2.88Å; A548-L550 PolarHBondContact O-N 3.09Å
551A83.4Confident86.9Confident10 Ų1061.4 Ų61.48%0.08331%0.305CS..THydrogen-bonded Turntrans-84.33.9173.200000113I547 A548 R549 L553 V621 I633 M638I547-A551 WeakPolarHBondContact O-CB 3.09Å; I547-A551 PolarHBondContact O-N 3.22Å; I547-A551 VanDerWaalsContact O-N 3.13Å; A548-A551 CarbonylContact O-C 3.53Å; A548-A551 WeakPolarHBondContact O-CB 3.42Å; A548-A551 PolarHBondContact O-N 2.97Å; A548-A551 VanDerWaalsContact O-N 3.15Å; R549-A551 PolarHBondContact O-N 3Å; A551-L553 HydrophobicContact CB-CD1 4.03Å; A551-L553 HydrophobicContact CB-CG 4.06Å; A551-L553 PolarHBondContact O-N 3.4Å; A551-V621 HydrophobicContact CB-CG2 4.01Å; A551-I633 HydrophobicContact CB-CD1 4.17Å; A551-M638 HydrophobicContact CB-CE 4.48Å
552N83Confident86.6Confident154 Ų15461.5 Ų61.582%0.82431%0.306SS*.THydrogen-bonded Turntrans52.833.7-173.5-64.5-36.2000113.3A548 R549A548-N552 PolarHBondContact O-N 3.39Å; R549-N552 PolarHBondContact O-N 3.4Å
553L83Confident86.4Confident29 Ų2967.2 Ų67.215%0.15233%0.332CS..  trans-95.3121174.5-65.7172.9000109.2A548 A551 L558 I633 M635 M638A548-L553 PolarHBondContact O-N 2.91Å; A548-L553 VanDerWaalsContact O-N 3.09Å; A551-L553 HydrophobicContact CB-CD1 4.03Å; A551-L553 HydrophobicContact CB-CG 4.06Å; A551-L553 PolarHBondContact O-N 3.4Å; L553-L558 HydrophobicContact CB-CD2 4.37Å; L553-L558 HydrophobicContact CB-CG 4.31Å; L553-L558 HydrophobicContact CD1-CD2 4.08Å; L553-I633 HydrophobicContact CD1-CG2 4.21Å; L553-M635 HydrophobicContact CD1-CE 4.02Å; L553-M635 HydrophobicContact CD1-SD 4.31Å; L553-M635 HydrophobicContact CD2-CE 4Å; L553-M638 HydrophobicContact CD1-CB 4.41Å; L553-M638 HydrophobicContact CD1-CE 4.08Å; L553-M638 HydrophobicContact CD1-CG 4.06Å
554D83.1Confident86.3Confident90 Ų9067.4 Ų67.448%0.48135%0.345SS..  trans-85.1166.717066.8-5.2000111.4A556 S557 L558D554-A556 PolarHBondContact O-N 3.24Å; D554-S557 PolarHBondContact O-N 3.19Å; D554-S557 WeakPolarHBondContact OD1-CA 3.21Å; D554-S557 WeakPolarHBondContact OD1-CB 3.38Å; D554-S557 PolarHBondContact OD1-N 2.89Å; D554-S557 PolarHBondContact OD1-OG 3.15Å; D554-L558 PolarHBondContact O-N 2.68Å; D554-L558 VanDerWaalsContact O-N 3.08Å
555E80.7Confident86.2Confident146 Ų14668.9 Ų68.968%0.68235%0.354SS*.Hα-helixtrans-59.6-34.5179.7-68.7-174.9172.100112.1L558 R559E555-L558 PolarHBondContact O-N 2.96Å; E555-R559 WeakPolarHBondContact O-CB 3.41Å; E555-R559 PolarHBondContact O-N 3.43Å
556A83.9Confident86.2Confident65 Ų6573.2 Ų73.254%0.53738%0.376SS..Hα-helixtrans-65.1-43177.800000112D554 R559 K560D554-A556 PolarHBondContact O-N 3.24Å; A556-R559 PolarHBondContact O-N 3.44Å; A556-K560 WeakPolarHBondContact O-CB 3.2Å; A556-K560 PolarHBondContact O-N 2.84Å
557S85.7Confident86.4Confident52 Ų5272 Ų7236%0.36437%0.368SS..Hα-helixtrans-66-41.4176.3-62.50000111.9D554 K560 A561D554-S557 PolarHBondContact O-N 3.19Å; D554-S557 WeakPolarHBondContact OD1-CA 3.21Å; D554-S557 WeakPolarHBondContact OD1-CB 3.38Å; D554-S557 PolarHBondContact OD1-N 2.89Å; D554-S557 PolarHBondContact OD1-OG 3.15Å; S557-K560 PolarHBondContact O-N 2.86Å; S557-A561 VanDerWaalsContact O-CB 3.27Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 2.85Å
558L85.3Confident86.5Confident10 Ų1074.8 Ų74.85%0.05238%0.382CS..Hα-helixtrans-63.6-41.3176.1-72.3173000111.8A548 L553 D554 E555 A561 A562 M638 E642A548-L558 HydrophobicContact CB-CD1 4.06Å; L553-L558 HydrophobicContact CB-CD2 4.37Å; L553-L558 HydrophobicContact CB-CG 4.31Å; L553-L558 HydrophobicContact CD1-CD2 4.08Å; D554-L558 PolarHBondContact O-N 2.68Å; D554-L558 VanDerWaalsContact O-N 3.08Å; E555-L558 PolarHBondContact O-N 2.96Å; L558-A561 PolarHBondContact O-N 2.9Å; L558-A562 PolarHBondContact O-N 3.25Å; L558-M638 HydrophobicContact CD2-CB 4.2Å; L558-E642 HydrophobicContact CD1-CG 4.49Å
559R85.8Confident86.9Confident156 Ų15674.4 Ų74.459%0.58938%0.378SS*.Hα-helixtrans-64.7-45.6177.2-169.3174.7-172.7175.25.4111.9E555 A556 A561 A562 E563E555-R559 WeakPolarHBondContact O-CB 3.41Å; E555-R559 PolarHBondContact O-N 3.43Å; A556-R559 PolarHBondContact O-N 3.44Å; R559-A561 VanDerWaalsContact C-N 3.3Å; R559-A561 PolarHBondContact O-N 2.55Å; R559-A562 WeakPolarHBondContact O-CB 3.21Å; R559-A562 PolarHBondContact O-N 3.19Å; R559-A562 VanDerWaalsContact O-N 3.15Å; R559-E563 PolarHBondContact O-N 2.85Å
560K88.5Confident87.1Confident148 Ų14874.6 Ų74.664%0.64339%0.388SS*.Hα-helixtrans-61.8-40.5175.1-172.3178.2-179.2-179.10111.5A556 S557 A562 E563 T564A556-K560 WeakPolarHBondContact O-CB 3.2Å; A556-K560 PolarHBondContact O-N 2.84Å; S557-K560 PolarHBondContact O-N 2.86Å; K560-A562 VanDerWaalsContact C-N 3.29Å; K560-A562 PolarHBondContact O-N 3.09Å; K560-E563 PolarHBondContact O-N 3.46Å; K560-T564 PolarHBondContact O-N 3.38Å; K560-T564 PolarHBondContact O-OG1 3.1Å
561A88.1Confident87.7Confident9 Ų973.1 Ų73.17%0.07438%0.378CS..Hα-helixtrans-63.8-34.8175.600000112.5S557 L558 R559 E563 T564 T565 M635 L639S557-A561 VanDerWaalsContact O-CB 3.27Å; S557-A561 WeakPolarHBondContact O-CB 3.48Å; S557-A561 PolarHBondContact O-N 2.85Å; L558-A561 PolarHBondContact O-N 2.9Å; R559-A561 VanDerWaalsContact C-N 3.3Å; R559-A561 PolarHBondContact O-N 2.55Å; A561-E563 VanDerWaalsContact C-N 3.26Å; A561-E563 PolarHBondContact O-N 2.81Å; A561-T564 PolarHBondContact O-N 3.02Å; A561-T565 WeakPolarHBondContact O-CA 3.48Å; A561-T565 WeakPolarHBondContact O-CB 3.41Å; A561-T565 PolarHBondContact O-N 2.77Å; A561-T565 PolarHBondContact O-OG1 3.23Å; A561-M635 HydrophobicContact CB-CE 4.43Å; A561-M635 HydrophobicContact CB-CG 3.57Å; A561-M635 HydrophobicContact CB-SD 3.58Å; A561-M635 VanDerWaalsContact CB-SD 3.58Å; A561-L639 HydrophobicContact CB-CD2 4.33Å
562A88.1Confident88.1Confident3 Ų378.9 Ų78.93%0.02541%0.407CS..Hα-helixtrans-64.8-28.5175.500000112.9T176 L179 L180 L558 R559 K560 L639T176-A562 WeakPolarHBondContact CG2-O 3.45Å; L179-A562 HydrophobicContact CB-CB 4.09Å; L179-A562 HydrophobicContact CD1-CB 4.49Å; L180-A562 HydrophobicContact CD2-CB 3.93Å; L558-A562 PolarHBondContact O-N 3.25Å; R559-A562 WeakPolarHBondContact O-CB 3.21Å; R559-A562 PolarHBondContact O-N 3.19Å; R559-A562 VanDerWaalsContact O-N 3.15Å; K560-A562 VanDerWaalsContact C-N 3.29Å; K560-A562 PolarHBondContact O-N 3.09Å; A562-L639 HydrophobicContact CB-CD1 4.49Å; A562-L639 HydrophobicContact CB-CD2 3.93Å
563E88.3Confident88.6Confident129 Ų12974.7 Ų74.760%0.60338%0.381SS*.Hα-helixtrans-75-33.7176.4-66.3173.6-177.700112.6L180 R559 K560 A561L180-E563 HydrophobicContact CD2-CB 4.39Å; L180-E563 HydrophobicContact CD2-CG 3.44Å; L180-E563 VanDerWaalsContact CD2-CG 3.44Å; R559-E563 PolarHBondContact O-N 2.85Å; K560-E563 PolarHBondContact O-N 3.46Å; A561-E563 VanDerWaalsContact C-N 3.26Å; A561-E563 PolarHBondContact O-N 2.81Å
564T88.9Confident89.2Confident109 Ų10973.5 Ų73.567%0.66938%0.375SS*.Hα-helixtrans-105.6-21.2-170.262.10000114.5K560 A561K560-T564 PolarHBondContact O-N 3.38Å; K560-T564 PolarHBondContact O-OG1 3.1Å; A561-T564 PolarHBondContact O-N 3.02Å
565T90.1Very high89.7Confident34 Ų3470.8 Ų70.821%0.20936%0.358CS..  trans-104.4124.2-170.3-45.30000110.5A561 M635 W636 L639A561-T565 WeakPolarHBondContact O-CA 3.48Å; A561-T565 WeakPolarHBondContact O-CB 3.41Å; A561-T565 PolarHBondContact O-N 2.77Å; A561-T565 PolarHBondContact O-OG1 3.23Å; T565-M635 HydrophobicContact CG2-CB 4.29Å; T565-M635 HydrophobicContact CG2-CG 4.36Å; T565-W636 HydrophobicContact CG2-CB 4.27Å; T565-L639 HydrophobicContact CG2-CD1 4.48Å
566E90.7Very high90.3Very high128 Ų12867.4 Ų67.460%0.59834%0.341SS*.  trans-75.5135.2170.7-172.7173.7-170.900110.9L568E566-L568 PolarHBondContact O-N 3.16Å
567I92.9Very high90.9Very high2 Ų264.3 Ų64.31%0.0132%0.316CS..  trans-82112177.8-60.4172.8000109.3S172 L175 L179 L569 L639 L640S172-I567 VanDerWaalsContact CB-O 3.29Å; S172-I567 WeakPolarHBondContact CB-O 3.41Å; S172-I567 PolarHBondContact OG-N 2.82Å; S172-I567 PolarHBondContact OG-O 3.44Å; L175-I567 HydrophobicContact CB-CD1 3.67Å; L175-I567 HydrophobicContact CD1-CG2 4.31Å; L179-I567 HydrophobicContact CD1-CD1 4.03Å; I567-L569 HydrophobicContact CG2-CD2 4.15Å; I567-L569 HydrophobicContact CG2-CG 4.39Å; I567-L639 HydrophobicContact CD1-CB 4.19Å; I567-L639 HydrophobicContact CD1-CD1 4.49Å; I567-L639 HydrophobicContact CG1-CB 4.28Å; I567-L639 HydrophobicContact CG1-CD1 4.09Å; I567-L640 HydrophobicContact CG2-CD2 3.87Å; I567-L640 HydrophobicContact CG2-CG 4.14Å
568L92.8Very high91.3Very high67 Ų6761.9 Ų61.935%0.35130%0.298SS..  trans-84.9135.9175.9-56177.3000110.4E566 W636E566-L568 PolarHBondContact O-N 3.16Å; L568-W636 HydrophobicContact CB-CG 4.35Å; L568-W636 HydrophobicContact CD1-CD2 4.37Å
569L93.3Very high91.7Very high4 Ų463.3 Ų63.32%0.02130%0.304CS..  trans-127.651.5-177.5-61.6171.9000110K168 V171 L175 I567 E574 W575 L640K168-L569 WeakPolarHBondContact CD-O 3.42Å; K168-L569 WeakPolarHBondContact CE-O 3.49Å; K168-L569 PolarHBondContact NZ-O 2.88Å; V171-L569 HydrophobicContact CB-CD1 3.9Å; V171-L569 HydrophobicContact CG1-CD1 3.55Å; L175-L569 HydrophobicContact CD1-CD1 4.37Å; L175-L569 HydrophobicContact CD1-CD2 4.42Å; I567-L569 HydrophobicContact CG2-CD2 4.15Å; I567-L569 HydrophobicContact CG2-CG 4.39Å; L569-E574 HydrophobicContact CD2-CB 4.27Å; L569-W575 HydrophobicContact CB-CE3 4.06Å; L569-W575 HydrophobicContact CD1-CE3 3.94Å; L569-W575 HydrophobicContact CD1-CZ3 3.96Å; L569-L640 HydrophobicContact CD2-CD1 4.44Å; L569-L640 HydrophobicContact CD2-CD2 4.3Å
570D91.5Very high92.1Very high112 Ų11256 Ų5660%0.59928%0.277SS*.  trans-83.9-39.1-173.6-69.9-29.8000111.9E574D570-E574 PolarHBondContact N-OE2 3.31Å
571H93.9Very high92.5Very high79 Ų7949 Ų4937%0.36625%0.247SC..SBendtrans-79.4141.5179.4-167.7-96.2000111.7K573 E574 W575 C618H571-K573 WeakPolarHBondContact ND1-CB 3.37Å; H571-K573 PolarHBondContact ND1-N 3.29Å; H571-K573 PolarHBondContact O-N 3.16Å; H571-K573 VanDerWaalsContact O-N 3.1Å; H571-E574 HydrophobicContact CB-CB 4.31Å; H571-E574 HydrophobicContact CB-CG 4.03Å; H571-E574 WeakPolarHBondContact CB-OE2 3.29Å; H571-E574 PolarHBondContact N-OE2 2.95Å; H571-E574 VanDerWaalsContact N-OE2 3.09Å; H571-E574 WeakPolarHBondContact O-CB 3.39Å; H571-E574 PolarHBondContact O-N 3.38Å; H571-W575 PolarHBondContact O-N 2.71Å; H571-C618 PolarHBondContact ND1-SG 3.24Å
572D92.1Very high92.7Very high131 Ų13148.9 Ų48.970%0.70125%0.245SC*.Hα-helixtrans-56.5-33.9-177.8-68.6-20.4000113.2K576D572-K576 WeakPolarHBondContact O-CB 3.44Å; D572-K576 PolarHBondContact O-N 3.05Å
573K93.9Very high93Very high65 Ų6551.2 Ų51.228%0.28325%0.253SS..Hα-helixtrans-75-33.8177.2-57.4-60.2-169.5175.20113.3H571 L577 E613 F614H571-K573 WeakPolarHBondContact ND1-CB 3.37Å; H571-K573 PolarHBondContact ND1-N 3.29Å; H571-K573 PolarHBondContact O-N 3.16Å; H571-K573 VanDerWaalsContact O-N 3.1Å; K573-L577 WeakPolarHBondContact O-CB 3.25Å; K573-L577 PolarHBondContact O-N 3.15Å; K573-E613 HydrophobicContact CD-CB 4.33Å; K573-E613 IonicContact NZ-OE2 2.71Å; K573-E613 PolarHBondContact NZ-OE2 2.88Å; K573-F614 HydrophobicContact CB-CB 4.44Å
574E94.9Very high93.3Very high4 Ų445.2 Ų45.22%0.01923%0.225CC..Hα-helixtrans-64.9-44.5171.1-70.7164.9171.600109.7L569 D570 H571 L577 G578 F614 R637 L640L569-E574 HydrophobicContact CD2-CB 4.27Å; D570-E574 PolarHBondContact N-OE2 3.31Å; H571-E574 HydrophobicContact CB-CB 4.31Å; H571-E574 HydrophobicContact CB-CG 4.03Å; H571-E574 WeakPolarHBondContact CB-OE2 3.29Å; H571-E574 PolarHBondContact N-OE2 2.95Å; H571-E574 VanDerWaalsContact N-OE2 3.09Å; H571-E574 WeakPolarHBondContact O-CB 3.39Å; H571-E574 PolarHBondContact O-N 3.38Å; E574-L577 PolarHBondContact O-N 3.48Å; E574-G578 PolarHBondContact O-N 2.88Å; E574-F614 HydrophobicContact CG-CD2 3.82Å; E574-F614 HydrophobicContact CG-CE2 3.54Å; E574-R637 IonicContact OE1-CZ 3.14Å; E574-R637 IonicContact OE1-NE 2.86Å; E574-R637 PolarHBondContact OE1-NE 3.1Å; E574-R637 IonicContact OE1-NH2 2.7Å; E574-R637 PolarHBondContact OE1-NH2 3.05Å; E574-L640 HydrophobicContact CB-CD1 4.37Å; E574-L640 HydrophobicContact CG-CD1 4.26Å
575W94.1Very high93.5Very high34 Ų3440.3 Ų40.313%0.12920%0.195CC..Hα-helixtrans-60-47.4175.9-179.1-121.7000112.4D112 L166 K168 V171 L569 H571 L577 G578 K579D112-W575 PolarHBondContact OD1-NE1 3.05Å; D112-W575 VanDerWaalsContact OD1-NE1 3.16Å; D112-W575 WeakPolarHBondContact OD2-CZ2 3.47Å; L166-W575 HydrophobicContact CB-CH2 3.9Å; L166-W575 HydrophobicContact CB-CZ2 4.04Å; K168-W575 HydrophobicContact CB-CZ3 4.22Å; K168-W575 HydrophobicContact CG-CE3 4.15Å; K168-W575 HydrophobicContact CG-CH2 4.23Å; K168-W575 HydrophobicContact CG-CZ3 3.84Å; V171-W575 HydrophobicContact CB-CH2 4.25Å; V171-W575 HydrophobicContact CB-CZ3 3.8Å; V171-W575 HydrophobicContact CG1-CZ3 4.02Å; V171-W575 HydrophobicContact CG2-CH2 3.53Å; V171-W575 HydrophobicContact CG2-CZ3 3.6Å; L569-W575 HydrophobicContact CB-CE3 4.06Å; L569-W575 HydrophobicContact CD1-CE3 3.94Å; L569-W575 HydrophobicContact CD1-CZ3 3.96Å; H571-W575 PolarHBondContact O-N 2.71Å; W575-L577 VanDerWaalsContact C-N 3.34Å; W575-L577 PolarHBondContact O-N 3.27Å; W575-G578 PolarHBondContact O-N 3.44Å; W575-K579 HydrophobicContact CD2-CD 4.28Å; W575-K579 HydrophobicContact CD2-CG 4.28Å; W575-K579 HydrophobicContact CZ2-CD 3.86Å; W575-K579 HydrophobicContact CZ2-CG 4.17Å; W575-K579 VanDerWaalsContact NE1-CE 3.34Å; W575-K579 WeakPolarHBondContact O-CG 3.44Å; W575-K579 PolarHBondContact O-N 3.24Å; W575-K579 VanDerWaalsContact O-N 3.09Å
576K93.8Very high93.6Very high75 Ų7539.5 Ų39.533%0.32619%0.189SC..Hα-helixtrans-58.8-45.2176.8-172.2-177.4167.8-172.80111.5D572 C580 T610 E613D572-K576 WeakPolarHBondContact O-CB 3.44Å; D572-K576 PolarHBondContact O-N 3.05Å; K576-C580 WeakPolarHBondContact O-CB 3.43Å; K576-C580 PolarHBondContact O-N 3.17Å; K576-T610 HydrophobicContact CB-CG2 4.37Å; K576-T610 HydrophobicContact CD-CG2 4.09Å; K576-T610 HydrophobicContact CG-CG2 3.82Å; K576-E613 VanDerWaalsContact NZ-CD 3.26Å; K576-E613 IonicContact NZ-OE1 2.85Å; K576-E613 PolarHBondContact NZ-OE1 3.34Å; K576-E613 IonicContact NZ-OE2 2.98Å; K576-E613 PolarHBondContact NZ-OE2 3.44Å
577L95.7Very high93.7Very high0 Ų034.2 Ų34.20%017%0.165CC..Hα-helixtrans-65.6-48.3178.6-179.960.8000112K573 E574 W575 K579 C580 I581 L607 T610 F611 F614 L640K573-L577 WeakPolarHBondContact O-CB 3.25Å; K573-L577 PolarHBondContact O-N 3.15Å; E574-L577 PolarHBondContact O-N 3.48Å; W575-L577 VanDerWaalsContact C-N 3.34Å; W575-L577 PolarHBondContact O-N 3.27Å; L577-K579 VanDerWaalsContact C-N 3.29Å; L577-K579 PolarHBondContact O-N 3.13Å; L577-C580 WeakPolarHBondContact O-CB 3.48Å; L577-C580 PolarHBondContact O-N 3.21Å; L577-I581 HydrophobicContact CD1-CD1 4.22Å; L577-I581 HydrophobicContact CD1-CG1 4.26Å; L577-I581 HydrophobicContact CG-CD1 3.98Å; L577-I581 HydrophobicContact CG-CG1 4.47Å; L577-I581 WeakPolarHBondContact O-CG1 3.36Å; L577-I581 PolarHBondContact O-N 2.74Å; L577-L607 HydrophobicContact CD1-CD1 3.94Å; L577-T610 HydrophobicContact CB-CG2 4.12Å; L577-T610 HydrophobicContact CD1-CG2 4.18Å; L577-F611 HydrophobicContact CD1-CB 4.31Å; L577-F611 HydrophobicContact CD2-CD2 4.09Å; L577-F614 HydrophobicContact CB-CB 4.45Å; L577-F614 HydrophobicContact CD2-CB 4Å; L577-F614 HydrophobicContact CD2-CD1 3.48Å; L577-F614 VanDerWaalsContact CD2-CD1 3.48Å; L577-F614 HydrophobicContact CD2-CD2 4.37Å; L577-F614 HydrophobicContact CD2-CE1 4.02Å; L577-F614 HydrophobicContact CD2-CG 3.67Å; L577-L640 HydrophobicContact CD2-CB 4.33Å
578G94.8Very high93.8Very high0 Ų034.2 Ų34.20%017%0.165CC..Hα-helixtrans-56.6-42.3179.400000112.6E574 W575 L582E574-G578 PolarHBondContact O-N 2.88Å; W575-G578 PolarHBondContact O-N 3.44Å; G578-L582 WeakPolarHBondContact O-CG 3.47Å; G578-L582 PolarHBondContact O-N 3.46Å
579K93.4Very high93.7Very high40 Ų4034.8 Ų34.817%0.17417%0.165CC..Hα-helixtrans-65.1-44.7173.4-70.3-172.6-63.5171.90112.7D112 W575 L577 I581 L582 R583D112-K579 HydrophobicContact CB-CD 4.07Å; D112-K579 WeakPolarHBondContact OD1-CD 3.36Å; D112-K579 WeakPolarHBondContact OD1-CE 3.48Å; D112-K579 IonicContact OD1-NZ 3.63Å; D112-K579 PolarHBondContact OD1-NZ 3.09Å; W575-K579 HydrophobicContact CD2-CD 4.28Å; W575-K579 HydrophobicContact CD2-CG 4.28Å; W575-K579 HydrophobicContact CZ2-CD 3.86Å; W575-K579 HydrophobicContact CZ2-CG 4.17Å; W575-K579 VanDerWaalsContact NE1-CE 3.34Å; W575-K579 WeakPolarHBondContact O-CG 3.44Å; W575-K579 PolarHBondContact O-N 3.24Å; W575-K579 VanDerWaalsContact O-N 3.09Å; L577-K579 VanDerWaalsContact C-N 3.29Å; L577-K579 PolarHBondContact O-N 3.13Å; K579-I581 VanDerWaalsContact C-N 3.3Å; K579-I581 PolarHBondContact O-N 3.28Å; K579-L582 PolarHBondContact O-N 3.01Å; K579-R583 WeakPolarHBondContact O-CG 3.4Å; K579-R583 PolarHBondContact O-N 3.29Å; K579-R583 VanDerWaalsContact O-N 3.09Å
580C95Very high93.6Very high4 Ų439.6 Ų39.63%0.02719%0.186CC..Hα-helixtrans-59.3-42.6179.6-167.40000111.1K576 L577 L582 R583 Y603 L607 T610K576-C580 WeakPolarHBondContact O-CB 3.43Å; K576-C580 PolarHBondContact O-N 3.17Å; L577-C580 WeakPolarHBondContact O-CB 3.48Å; L577-C580 PolarHBondContact O-N 3.21Å; C580-L582 VanDerWaalsContact C-N 3.34Å; C580-L582 PolarHBondContact O-N 2.8Å; C580-R583 PolarHBondContact O-N 2.98Å; C580-Y603 WeakPolarHBondContact O-CE2 3.46Å; C580-Y603 PolarHBondContact O-OH 2.98Å; C580-L607 HydrophobicContact CB-CD1 4.3Å; C580-T610 HydrophobicContact CB-CG2 4.43Å
581I95.8Very high93.7Very high0 Ų034.3 Ų34.30%016%0.158CC..Hα-helixtrans-57.4-46.3175.1-66.9167.6000111.1L175 M178 L577 K579 R583 F584 Y603 L607 A643 I647L175-I581 HydrophobicContact CD2-CB 3.94Å; L175-I581 HydrophobicContact CD2-CD1 4.18Å; L175-I581 HydrophobicContact CD2-CG2 3.51Å; M178-I581 HydrophobicContact CE-CG2 3.84Å; M178-I581 HydrophobicContact SD-CG2 4.03Å; L577-I581 HydrophobicContact CD1-CD1 4.22Å; L577-I581 HydrophobicContact CD1-CG1 4.26Å; L577-I581 HydrophobicContact CG-CD1 3.98Å; L577-I581 HydrophobicContact CG-CG1 4.47Å; L577-I581 WeakPolarHBondContact O-CG1 3.36Å; L577-I581 PolarHBondContact O-N 2.74Å; K579-I581 VanDerWaalsContact C-N 3.3Å; K579-I581 PolarHBondContact O-N 3.28Å; I581-R583 VanDerWaalsContact C-N 3.3Å; I581-R583 PolarHBondContact O-N 2.9Å; I581-F584 PolarHBondContact O-N 3.27Å; I581-Y603 PolarHBondContact O-OH 3.47Å; I581-L607 HydrophobicContact CG1-CD1 3.88Å; I581-A643 HydrophobicContact CD1-CB 4Å; I581-A643 HydrophobicContact CG2-CB 4.45Å; I581-I647 HydrophobicContact CG2-CG1 3.88Å
582L93.8Very high93.6Very high7 Ų731 Ų314%0.03714%0.143CC..Hα-helixtrans-77.3-9.8-176.8-63.6-179.3000114.8M73 I76 V171 L174 L175 G578 K579 C580 F584 P585M73-L582 HydrophobicContact CE-CD2 4.47Å; I76-L582 HydrophobicContact CD1-CB 3.78Å; I76-L582 HydrophobicContact CD1-CD1 4.09Å; V171-L582 HydrophobicContact CB-CD1 4.12Å; V171-L582 HydrophobicContact CG1-CD1 3.57Å; V171-L582 HydrophobicContact CG2-CD1 4.37Å; L174-L582 HydrophobicContact CB-CD1 3.81Å; L174-L582 HydrophobicContact CB-CD2 3.8Å; L174-L582 HydrophobicContact CB-CG 4.49Å; L174-L582 HydrophobicContact CD1-CD1 3.93Å; L175-L582 HydrophobicContact CD2-CD2 3.97Å; L175-L582 HydrophobicContact CD2-CG 4.04Å; L175-L582 HydrophobicContact CG-CD1 4.44Å; L175-L582 HydrophobicContact CG-CD2 4.36Å; L175-L582 HydrophobicContact CG-CG 4.37Å; G578-L582 WeakPolarHBondContact O-CG 3.47Å; G578-L582 PolarHBondContact O-N 3.46Å; K579-L582 PolarHBondContact O-N 3.01Å; C580-L582 VanDerWaalsContact C-N 3.34Å; C580-L582 PolarHBondContact O-N 2.8Å; L582-F584 PolarHBondContact O-N 3.38Å; L582-P585 VanDerWaalsContact O-CD 3.32Å; L582-P585 WeakPolarHBondContact O-CD 3.44Å
583R93.3Very high93.5Very high52 Ų5229.4 Ų29.420%0.19613%0.134CC..THydrogen-bonded Turntrans-72.2-13.1172.9-77.2175.965.7-150.1-6.8113.4K579 C580 I581 E586 I587 Y603 E606K579-R583 WeakPolarHBondContact O-CG 3.4Å; K579-R583 PolarHBondContact O-N 3.29Å; K579-R583 VanDerWaalsContact O-N 3.09Å; C580-R583 PolarHBondContact O-N 2.98Å; I581-R583 VanDerWaalsContact C-N 3.3Å; I581-R583 PolarHBondContact O-N 2.9Å; R583-E586 VanDerWaalsContact O-CB 3.32Å; R583-E586 WeakPolarHBondContact O-CB 3.38Å; R583-E586 PolarHBondContact O-N 3.43Å; R583-I587 PolarHBondContact O-N 2.72Å; R583-Y603 HydrophobicContact CB-CE2 4.17Å; R583-E606 IonicContact CZ-OE2 3.94Å; R583-E606 VanDerWaalsContact NH1-CD 3.3Å; R583-E606 IonicContact NH1-OE1 3.84Å; R583-E606 PolarHBondContact NH1-OE1 3.26Å; R583-E606 IonicContact NH1-OE2 3.82Å; R583-E606 PolarHBondContact NH1-OE2 2.95Å; R583-E606 IonicContact NH2-OE2 3.24Å
584F95.1Very high93.5Very high2 Ų228.4 Ų28.41%0.00913%0.132CC..Hα-helixtrans-49.8-50.6-176.1176.5-118.5000113.9M73 V183 F227 I581 L582 E586 I587 L588 L600 Y603 I647 K650 C651 I654M73-F584 HydrophobicContact CE-CB 4.38Å; M73-F584 HydrophobicContact CE-CD1 4.36Å; M73-F584 HydrophobicContact SD-CD1 4.06Å; V183-F584 HydrophobicContact CG1-CD1 4.19Å; V183-F584 HydrophobicContact CG1-CE1 3.77Å; F227-F584 AromaticContact CE1-CE1 3.8Å; F227-F584 HydrophobicContact CE1-CE1 3.8Å; F227-F584 HydrophobicContact CE1-CZ 4.05Å; F227-F584 HydrophobicContact CZ-CE1 4Å; F227-F584 HydrophobicContact CZ-CZ 4.48Å; I581-F584 PolarHBondContact O-N 3.27Å; L582-F584 PolarHBondContact O-N 3.38Å; F584-E586 VanDerWaalsContact C-N 3.26Å; F584-E586 PolarHBondContact O-N 3.28Å; F584-I587 PolarHBondContact O-N 2.79Å; F584-L588 HydrophobicContact CD1-CD1 4.25Å; F584-L588 HydrophobicContact CD2-CD2 4.4Å; F584-L588 HydrophobicContact CD2-CG 4.32Å; F584-L588 HydrophobicContact CE1-CD1 3.72Å; F584-L588 HydrophobicContact CE1-CG 4.44Å; F584-L588 HydrophobicContact CE2-CD1 4.08Å; F584-L588 HydrophobicContact CE2-CD2 3.77Å; F584-L588 HydrophobicContact CE2-CG 4.01Å; F584-L588 HydrophobicContact CZ-CD1 3.63Å; F584-L588 HydrophobicContact CZ-CD2 4.05Å; F584-L588 HydrophobicContact CZ-CG 4.1Å; F584-L588 WeakPolarHBondContact O-CG 3.34Å; F584-L588 PolarHBondContact O-N 3Å; F584-L588 VanDerWaalsContact O-N 3.09Å; F584-L600 HydrophobicContact CD2-CD1 4.48Å; F584-L600 HydrophobicContact CE2-CD1 4.1Å; F584-Y603 HydrophobicContact CB-CE1 4.09Å; F584-Y603 HydrophobicContact CD2-CD1 4.38Å; F584-Y603 AromaticContact CD2-CE1 3.78Å; F584-Y603 HydrophobicContact CD2-CE1 3.78Å; F584-Y603 HydrophobicContact CG-CE1 4.4Å; F584-I647 HydrophobicContact CB-CD1 4.08Å; F584-I647 HydrophobicContact CB-CG2 4.3Å; F584-I647 HydrophobicContact CD1-CD1 3.71Å; F584-I647 HydrophobicContact CD2-CG2 4.26Å; F584-I647 HydrophobicContact CE1-CD1 4.34Å; F584-I647 HydrophobicContact CG-CD1 4Å; F584-I647 HydrophobicContact CG-CG2 4.23Å; F584-K650 HydrophobicContact CE1-CG 4.21Å; F584-K650 HydrophobicContact CZ-CB 4.41Å; F584-K650 HydrophobicContact CZ-CG 3.95Å; F584-C651 WeakPolarHBondContact CE2-SG 3.43Å; F584-I654 HydrophobicContact CE2-CD1 4.37Å; F584-I654 HydrophobicContact CZ-CD1 3.9Å
585P92.7Very high93.5Very high6 Ų628.3 Ų28.34%0.03913%0.132CC..Hα-helixtrans-62.9-29.1178.7-22.735.9000114.2M73 N75 P186 L582 L588 Q589M73-P585 HydrophobicContact CB-CG 3.77Å; M73-P585 HydrophobicContact CE-CG 3.91Å; M73-P585 HydrophobicContact SD-CG 4.29Å; N75-P585 HydrophobicContact CB-CB 4.26Å; P186-P585 HydrophobicContact CG-CB 4.27Å; L582-P585 VanDerWaalsContact O-CD 3.32Å; L582-P585 WeakPolarHBondContact O-CD 3.44Å; P585-L588 PolarHBondContact O-N 3Å; P585-Q589 PolarHBondContact O-N 2.9Å
586E92Very high93.6Very high17 Ų1728 Ų288%0.07913%0.132CC..Hα-helixtrans-68.6-41.2177.3-45.9-174158.400111.1I76 N77 Y113 R583 F584 L588 Q589 K590I76-E586 WeakPolarHBondContact CB-OE1 3.48Å; N77-E586 HydrophobicContact CB-CG 4.2Å; N77-E586 WeakPolarHBondContact CB-OE1 3.48Å; N77-E586 PolarHBondContact N-OE1 2.96Å; Y113-E586 WeakPolarHBondContact CE1-OE1 3.32Å; Y113-E586 PolarHBondContact OH-OE1 3.15Å; Y113-E586 PolarHBondContact OH-OE2 3.48Å; R583-E586 VanDerWaalsContact O-CB 3.32Å; R583-E586 WeakPolarHBondContact O-CB 3.38Å; R583-E586 PolarHBondContact O-N 3.43Å; F584-E586 VanDerWaalsContact C-N 3.26Å; F584-E586 PolarHBondContact O-N 3.28Å; E586-L588 VanDerWaalsContact C-N 3.35Å; E586-Q589 PolarHBondContact O-N 3.33Å; E586-K590 PolarHBondContact O-N 2.99Å
587I94.1Very high93.7Very high18 Ų1824.8 Ų24.89%0.09212%0.119CC..Hα-helixtrans-65.5-42.4176.8-57.6-56.8000110R583 F584 Q589 K590 I591 L600 Y603R583-I587 PolarHBondContact O-N 2.72Å; F584-I587 PolarHBondContact O-N 2.79Å; I587-Q589 PolarHBondContact O-N 3.38Å; I587-K590 PolarHBondContact O-N 3.32Å; I587-I591 HydrophobicContact CG2-CD1 3.84Å; I587-I591 WeakPolarHBondContact O-CD1 3.31Å; I587-I591 VanDerWaalsContact O-CG1 3.23Å; I587-I591 WeakPolarHBondContact O-CG1 3.45Å; I587-I591 PolarHBondContact O-N 3.18Å; I587-L600 HydrophobicContact CG2-CD1 4.34Å; I587-Y603 HydrophobicContact CG1-CD2 3.87Å; I587-Y603 HydrophobicContact CG1-CG 3.92Å; I587-Y603 HydrophobicContact CG2-CG 4.48Å
588L93.3Very high93.7Very high2 Ų226.4 Ų26.41%0.0113%0.126CC..Hα-helixtrans-62.5-42.3176-61-173.5000112.3L224 F227 L228 F584 P585 E586 K590 I591 L592 L600 I654L224-L588 HydrophobicContact CD1-CB 4.47Å; L224-L588 HydrophobicContact CD1-CD2 3.7Å; L224-L588 HydrophobicContact CD1-CG 4.47Å; F227-L588 HydrophobicContact CD1-CD1 3.86Å; F227-L588 HydrophobicContact CE1-CD1 3.54Å; L228-L588 HydrophobicContact CD2-CD1 4.31Å; F584-L588 HydrophobicContact CD1-CD1 4.25Å; F584-L588 HydrophobicContact CD2-CD2 4.4Å; F584-L588 HydrophobicContact CD2-CG 4.32Å; F584-L588 HydrophobicContact CE1-CD1 3.72Å; F584-L588 HydrophobicContact CE1-CG 4.44Å; F584-L588 HydrophobicContact CE2-CD1 4.08Å; F584-L588 HydrophobicContact CE2-CD2 3.77Å; F584-L588 HydrophobicContact CE2-CG 4.01Å; F584-L588 HydrophobicContact CZ-CD1 3.63Å; F584-L588 HydrophobicContact CZ-CD2 4.05Å; F584-L588 HydrophobicContact CZ-CG 4.1Å; F584-L588 WeakPolarHBondContact O-CG 3.34Å; F584-L588 PolarHBondContact O-N 3Å; F584-L588 VanDerWaalsContact O-N 3.09Å; P585-L588 PolarHBondContact O-N 3Å; E586-L588 VanDerWaalsContact C-N 3.35Å; L588-K590 VanDerWaalsContact C-N 3.34Å; L588-K590 PolarHBondContact O-N 3.26Å; L588-I591 PolarHBondContact O-N 2.79Å; L588-L592 WeakPolarHBondContact O-CG 3.23Å; L588-L592 PolarHBondContact O-N 3.45Å; L588-L600 HydrophobicContact CD2-CD1 4.24Å; L588-I654 HydrophobicContact CD2-CD1 4.03Å
589Q90.6Very high93.7Very high79 Ų7927.1 Ų27.137%0.36913%0.13SC..Hα-helixtrans-61.4-44.1176.6-176.858.249.200111.4P585 E586 I587 I591 L592 D593P585-Q589 PolarHBondContact O-N 2.9Å; E586-Q589 PolarHBondContact O-N 3.33Å; I587-Q589 PolarHBondContact O-N 3.38Å; Q589-I591 VanDerWaalsContact C-N 3.3Å; Q589-I591 PolarHBondContact O-N 3.26Å; Q589-L592 WeakPolarHBondContact O-CB 3.49Å; Q589-L592 PolarHBondContact O-N 3.35Å; Q589-L592 VanDerWaalsContact O-N 3.17Å; Q589-D593 PolarHBondContact NE2-OD1 2.9Å; Q589-D593 PolarHBondContact O-N 3.46Å; Q589-D593 VanDerWaalsContact O-N 3.16Å
590K91.9Very high93.9Very high104 Ų10425.2 Ų25.245%0.45212%0.122SC..Hα-helixtrans-57.7-44.6175.9-175.3-175.3175.1-171.70111.8E586 I587 L588 L592 D593 D594E586-K590 PolarHBondContact O-N 2.99Å; I587-K590 PolarHBondContact O-N 3.32Å; L588-K590 VanDerWaalsContact C-N 3.34Å; L588-K590 PolarHBondContact O-N 3.26Å; K590-L592 VanDerWaalsContact C-N 3.32Å; K590-L592 PolarHBondContact O-N 2.91Å; K590-D593 PolarHBondContact O-N 3.21Å; K590-D593 VanDerWaalsContact O-N 3.1Å; K590-D594 VanDerWaalsContact O-CG 3.3Å; K590-D594 PolarHBondContact O-N 3.22Å
591I94.2Very high94Very high1 Ų125 Ų251%0.00512%0.121CC..Hα-helixtrans-68.1-33.6179.4-61.5160.6000111.4L224 I587 L588 Q589 D593 D594 L595 L597 T599 L600L224-I591 HydrophobicContact CD2-CB 4.16Å; L224-I591 HydrophobicContact CD2-CG2 3.44Å; L224-I591 VanDerWaalsContact CD2-CG2 3.44Å; I587-I591 HydrophobicContact CG2-CD1 3.84Å; I587-I591 WeakPolarHBondContact O-CD1 3.31Å; I587-I591 VanDerWaalsContact O-CG1 3.23Å; I587-I591 WeakPolarHBondContact O-CG1 3.45Å; I587-I591 PolarHBondContact O-N 3.18Å; L588-I591 PolarHBondContact O-N 2.79Å; Q589-I591 VanDerWaalsContact C-N 3.3Å; Q589-I591 PolarHBondContact O-N 3.26Å; I591-D593 PolarHBondContact O-N 2.78Å; I591-D594 WeakPolarHBondContact CA-OD1 3.44Å; I591-L595 WeakPolarHBondContact O-CA 3.47Å; I591-L595 PolarHBondContact O-N 3.23Å; I591-L597 HydrophobicContact CG2-CD2 3.95Å; I591-T599 VanDerWaalsContact CG1-OG1 3.23Å; I591-T599 WeakPolarHBondContact CG1-OG1 3.37Å; I591-L600 HydrophobicContact CD1-CB 3.64Å
592L91.2Very high94Very high9 Ų928.6 Ų28.65%0.04714%0.14CC..Hα-helixtrans-60.5-35.1172-77.8176.3000111.7F225 L228 Y230 R438 L588 Q589 K590F225-L592 HydrophobicContact CD1-CD2 3.87Å; F225-L592 HydrophobicContact CE1-CD2 3.45Å; F225-L592 VanDerWaalsContact CE1-CD2 3.45Å; F225-L592 HydrophobicContact CZ-CD2 4.12Å; L228-L592 HydrophobicContact CD1-CD1 3.46Å; L228-L592 VanDerWaalsContact CD1-CD1 3.46Å; L228-L592 HydrophobicContact CD1-CD2 3.4Å; L228-L592 VanDerWaalsContact CD1-CD2 3.4Å; L228-L592 HydrophobicContact CD1-CG 3.55Å; L228-L592 HydrophobicContact CD2-CD1 4.43Å; Y230-L592 HydrophobicContact CE2-CD2 4.33Å; R438-L592 PolarHBondContact NH1-O 3.39Å; L588-L592 WeakPolarHBondContact O-CG 3.23Å; L588-L592 PolarHBondContact O-N 3.45Å; Q589-L592 WeakPolarHBondContact O-CB 3.49Å; Q589-L592 PolarHBondContact O-N 3.35Å; Q589-L592 VanDerWaalsContact O-N 3.17Å; K590-L592 VanDerWaalsContact C-N 3.32Å; K590-L592 PolarHBondContact O-N 2.91Å
593D89.8Confident94.2Very high99 Ų9928.4 Ų28.453%0.52914%0.139SC..Hα-helixtrans-78.2-47.9-178.6-60.6-29.8000111.5R438 Q589 K590 I591R438-D593 PolarHBondContact NH2-O 3.45Å; Q589-D593 PolarHBondContact NE2-OD1 2.9Å; Q589-D593 PolarHBondContact O-N 3.46Å; Q589-D593 VanDerWaalsContact O-N 3.16Å; K590-D593 PolarHBondContact O-N 3.21Å; K590-D593 VanDerWaalsContact O-N 3.1Å; I591-D593 PolarHBondContact O-N 2.78Å
594D93.7Very high94.4Very high44 Ų4425.9 Ų25.924%0.23513%0.129CC..Hα-helixtrans-100.6-11.9-173.367.517.8000115.7R515 K590 I591 L596R515-D594 PolarHBondContact NH2-O 3.12Å; K590-D594 VanDerWaalsContact O-CG 3.3Å; K590-D594 PolarHBondContact O-N 3.22Å; I591-D594 WeakPolarHBondContact CA-OD1 3.44Å; D594-L596 HydrophobicContact CB-CD1 4.1Å; D594-L596 HydrophobicContact CB-CG 4.07Å; D594-L596 PolarHBondContact O-N 3.41Å; D594-L596 VanDerWaalsContact OD1-CB 3.3Å; D594-L596 WeakPolarHBondContact OD1-CB 3.49Å; D594-L596 PolarHBondContact OD1-N 3.13Å
595L95.1Very high94.4Very high1 Ų129.2 Ų29.21%0.00514%0.142CC..  trans55.731.6-174.5-56.8176.1000113.4M221 F225 I408 E440 R515 I591M221-L595 HydrophobicContact CE-CB 3.85Å; M221-L595 VanDerWaalsContact CE-O 3.28Å; M221-L595 WeakPolarHBondContact CE-O 3.35Å; F225-L595 HydrophobicContact CE2-CD2 4.2Å; F225-L595 HydrophobicContact CZ-CD2 3.88Å; I408-L595 HydrophobicContact CD1-CD1 3.93Å; I408-L595 HydrophobicContact CD1-CD2 4.05Å; I408-L595 HydrophobicContact CG1-CD1 4.27Å; I408-L595 HydrophobicContact CG2-CD1 4.16Å; E440-L595 HydrophobicContact CG-CD1 4.45Å; R515-L595 PolarHBondContact NE-O 3.39Å; I591-L595 WeakPolarHBondContact O-CA 3.47Å; I591-L595 PolarHBondContact O-N 3.23Å
596L95.6Very high94.6Very high27 Ų2732.3 Ų32.314%0.14116%0.156CC..  trans-10490.4-178.9-63.7177.8000111.8R515 I516 D594 H598 T599R515-L596 HydrophobicContact CG-CD2 4Å; I516-L596 HydrophobicContact CD1-CD2 4.4Å; D594-L596 HydrophobicContact CB-CD1 4.1Å; D594-L596 HydrophobicContact CB-CG 4.07Å; D594-L596 PolarHBondContact O-N 3.41Å; D594-L596 VanDerWaalsContact OD1-CB 3.3Å; D594-L596 WeakPolarHBondContact OD1-CB 3.49Å; D594-L596 PolarHBondContact OD1-N 3.13Å; L596-H598 PolarHBondContact O-N 3.41Å; L596-H598 VanDerWaalsContact O-N 3.13Å; L596-T599 PolarHBondContact O-N 3.25Å; L596-T599 PolarHBondContact O-OG1 3.25Å; L596-T599 VanDerWaalsContact O-OG1 3.09Å
597L95.9Very high94.8Very high8 Ų831.5 Ų31.54%0.04215%0.152CC..THydrogen-bonded Turntrans-62.5-21.8-176.4-68.5166.3000115.3I217 M221 L224 L511 I591 T599 L600 C601I217-L597 HydrophobicContact CG2-CD1 4.41Å; M221-L597 HydrophobicContact CG-CD1 4Å; L224-L597 HydrophobicContact CD2-CD2 4.43Å; L511-L597 HydrophobicContact CD2-CB 4.24Å; L511-L597 HydrophobicContact CD2-CD1 3.69Å; I591-L597 HydrophobicContact CG2-CD2 3.95Å; L597-T599 PolarHBondContact O-N 2.89Å; L597-T599 VanDerWaalsContact O-N 3.14Å; L597-L600 VanDerWaalsContact O-CB 3.27Å; L597-L600 WeakPolarHBondContact O-CB 3.4Å; L597-L600 PolarHBondContact O-N 3.43Å; L597-C601 PolarHBondContact O-N 2.81Å
598H96.2Very high94.9Very high35 Ų3530.7 Ų30.716%0.16215%0.148CC..Hα-helixtrans-58.2-29179.674-79.6000113.6L511 L596 L600 C601 D602L511-H598 WeakPolarHBondContact O-CA 3.49Å; L511-H598 WeakPolarHBondContact O-CB 3.14Å; L511-H598 PolarHBondContact O-N 3.16Å; L596-H598 PolarHBondContact O-N 3.41Å; L596-H598 VanDerWaalsContact O-N 3.13Å; H598-L600 PolarHBondContact O-N 3.37Å; H598-C601 WeakPolarHBondContact O-CB 3.39Å; H598-C601 PolarHBondContact O-N 3.18Å; H598-C601 VanDerWaalsContact O-N 3.11Å; H598-D602 IonicContact CD2-OD2 2.92Å; H598-D602 PolarHBondContact O-N 3.4Å
599T95.8Very high95Very high14 Ų1432.4 Ų32.49%0.08616%0.159CC..Hα-helixtrans-67.8-25.1176.759.50000112.4I591 L596 L597 Y603I591-T599 VanDerWaalsContact CG1-OG1 3.23Å; I591-T599 WeakPolarHBondContact CG1-OG1 3.37Å; L596-T599 PolarHBondContact O-N 3.25Å; L596-T599 PolarHBondContact O-OG1 3.25Å; L596-T599 VanDerWaalsContact O-OG1 3.09Å; L597-T599 PolarHBondContact O-N 2.89Å; L597-T599 VanDerWaalsContact O-N 3.14Å; T599-Y603 VanDerWaalsContact O-CB 3.31Å; T599-Y603 WeakPolarHBondContact O-CB 3.05Å; T599-Y603 PolarHBondContact O-N 3.31Å
600L97.1Very high95.3Very high0 Ų028.8 Ų28.80%014%0.142CC..Hα-helixtrans-70.9-40.1171.6-172.758000111.2F584 I587 L588 I591 L597 H598 Y603 L604 C651 I654 L655F584-L600 HydrophobicContact CD2-CD1 4.48Å; F584-L600 HydrophobicContact CE2-CD1 4.1Å; I587-L600 HydrophobicContact CG2-CD1 4.34Å; L588-L600 HydrophobicContact CD2-CD1 4.24Å; I591-L600 HydrophobicContact CD1-CB 3.64Å; L597-L600 VanDerWaalsContact O-CB 3.27Å; L597-L600 WeakPolarHBondContact O-CB 3.4Å; L597-L600 PolarHBondContact O-N 3.43Å; H598-L600 PolarHBondContact O-N 3.37Å; L600-Y603 HydrophobicContact CD1-CD1 4.23Å; L600-Y603 PolarHBondContact O-N 3.45Å; L600-L604 VanDerWaalsContact O-CB 3.28Å; L600-L604 WeakPolarHBondContact O-CB 3.42Å; L600-L604 PolarHBondContact O-N 3.35Å; L600-C651 HydrophobicContact CD1-CB 4.47Å; L600-I654 HydrophobicContact CD2-CB 4.11Å; L600-I654 HydrophobicContact CD2-CG2 3.64Å; L600-L655 HydrophobicContact CD2-CD2 3.96Å; L600-L655 HydrophobicContact CD2-CG 3.98Å; L600-L655 HydrophobicContact CG-CD2 4.44Å; L600-L655 HydrophobicContact CG-CG 4.49Å
601C97.1Very high95.5Very high0 Ų024.1 Ų24.10%012%0.122CC..Hα-helixtrans-62.8-47.2174.7-65.60000111Y508 L597 H598 Y603 L604 Y605Y508-C601 HydrophobicContact CE2-CB 3.71Å; Y508-C601 VanDerWaalsContact CE2-SG 3.51Å; Y508-C601 WeakPolarHBondContact OH-CB 3.42Å; Y508-C601 PolarHBondContact OH-O 2.92Å; Y508-C601 VanDerWaalsContact OH-O 3.05Å; L597-C601 PolarHBondContact O-N 2.81Å; H598-C601 WeakPolarHBondContact O-CB 3.39Å; H598-C601 PolarHBondContact O-N 3.18Å; H598-C601 VanDerWaalsContact O-N 3.11Å; C601-Y603 VanDerWaalsContact C-N 3.32Å; C601-Y603 PolarHBondContact O-N 3.34Å; C601-L604 PolarHBondContact O-N 3.47Å; C601-Y605 PolarHBondContact O-N 3.49Å
602D96.4Very high95.5Very high76 Ų7626.1 Ų26.141%0.40614%0.135SC..Hα-helixtrans-59.2-44.3176.1-68.8-26.2000111.6H598 Y605 E606H598-D602 IonicContact CD2-OD2 2.92Å; H598-D602 PolarHBondContact O-N 3.4Å; D602-Y605 PolarHBondContact O-N 3.33Å; D602-E606 WeakPolarHBondContact O-CB 3.42Å; D602-E606 PolarHBondContact O-N 3.07Å
603Y96.8Very high95.7Very high2 Ų228.8 Ų28.81%0.00815%0.147CC..Hα-helixtrans-60.6-45.7174.6168.9-105.6000112.5C580 I581 R583 F584 I587 T599 L600 C601 Y605 E606 L607 I647C580-Y603 WeakPolarHBondContact O-CE2 3.46Å; C580-Y603 PolarHBondContact O-OH 2.98Å; I581-Y603 PolarHBondContact O-OH 3.47Å; R583-Y603 HydrophobicContact CB-CE2 4.17Å; F584-Y603 HydrophobicContact CB-CE1 4.09Å; F584-Y603 HydrophobicContact CD2-CD1 4.38Å; F584-Y603 AromaticContact CD2-CE1 3.78Å; F584-Y603 HydrophobicContact CD2-CE1 3.78Å; F584-Y603 HydrophobicContact CG-CE1 4.4Å; I587-Y603 HydrophobicContact CG1-CD2 3.87Å; I587-Y603 HydrophobicContact CG1-CG 3.92Å; I587-Y603 HydrophobicContact CG2-CG 4.48Å; T599-Y603 VanDerWaalsContact O-CB 3.31Å; T599-Y603 WeakPolarHBondContact O-CB 3.05Å; T599-Y603 PolarHBondContact O-N 3.31Å; L600-Y603 HydrophobicContact CD1-CD1 4.23Å; L600-Y603 PolarHBondContact O-N 3.45Å; C601-Y603 VanDerWaalsContact C-N 3.32Å; C601-Y603 PolarHBondContact O-N 3.34Å; Y603-Y605 VanDerWaalsContact C-N 3.29Å; Y603-Y605 PolarHBondContact O-N 3.36Å; Y603-E606 WeakPolarHBondContact O-CB 3.34Å; Y603-E606 PolarHBondContact O-N 3.16Å; Y603-L607 HydrophobicContact CE1-CD2 4.49Å; Y603-L607 WeakPolarHBondContact O-CB 3.37Å; Y603-L607 PolarHBondContact O-N 3.33Å; Y603-I647 HydrophobicContact CE1-CG2 4Å
604L97Very high96Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-63.1-38-179.8-179.356.6000111.7Y508 L537 L600 C601 L607 A608 M648 C651 F652 L655Y508-L604 HydrophobicContact CE2-CD2 4.35Å; L537-L604 HydrophobicContact CD1-CD2 3.78Å; L537-L604 HydrophobicContact CD1-CG 3.89Å; L537-L604 HydrophobicContact CD2-CG 4.1Å; L600-L604 VanDerWaalsContact O-CB 3.28Å; L600-L604 WeakPolarHBondContact O-CB 3.42Å; L600-L604 PolarHBondContact O-N 3.35Å; C601-L604 PolarHBondContact O-N 3.47Å; L604-L607 PolarHBondContact O-N 2.86Å; L604-A608 PolarHBondContact O-N 3.34Å; L604-A608 VanDerWaalsContact O-N 3.1Å; L604-M648 HydrophobicContact CD1-CB 4.08Å; L604-M648 HydrophobicContact CD1-CE 4.09Å; L604-M648 HydrophobicContact CD1-CG 3.75Å; L604-C651 HydrophobicContact CD1-CB 3.9Å; L604-C651 HydrophobicContact CD2-CB 3.98Å; L604-C651 HydrophobicContact CG-CB 4.39Å; L604-F652 HydrophobicContact CD1-CE1 4.43Å; L604-F652 HydrophobicContact CD2-CD1 3.79Å; L604-F652 HydrophobicContact CD2-CE1 3.62Å; L604-F652 HydrophobicContact CG-CE1 4.41Å; L604-L655 HydrophobicContact CD2-CD1 3.88Å
605Y96.9Very high96Very high72 Ų7225.7 Ų25.728%0.28213%0.125SC..Hα-helixtrans-69.4-41.3172.6-174-110.8000112.6G531 N532 Y536 L537 C601 D602 Y603 L607 A608 T609G531-Y605 VanDerWaalsContact O-CE2 3.27Å; G531-Y605 WeakPolarHBondContact O-CE2 3.25Å; N532-Y605 HydrophobicContact CB-CD1 4.2Å; N532-Y605 HydrophobicContact CB-CD2 4.07Å; N532-Y605 HydrophobicContact CB-CE1 4.36Å; N532-Y605 HydrophobicContact CB-CE2 4.26Å; N532-Y605 HydrophobicContact CB-CG 4.05Å; N532-Y605 WeakPolarHBondContact OD1-CB 3.36Å; Y536-Y605 AromaticContact CD1-CD2 3.93Å; Y536-Y605 HydrophobicContact CD1-CD2 3.93Å; Y536-Y605 AromaticContact CD1-CE2 3.7Å; Y536-Y605 HydrophobicContact CD1-CE2 3.7Å; Y536-Y605 AromaticContact CE1-CD2 3.84Å; Y536-Y605 HydrophobicContact CE1-CD2 3.84Å; Y536-Y605 AromaticContact CE1-CE2 3.55Å; Y536-Y605 HydrophobicContact CE1-CE2 3.55Å; L537-Y605 HydrophobicContact CD2-CD2 4.41Å; C601-Y605 PolarHBondContact O-N 3.49Å; D602-Y605 PolarHBondContact O-N 3.33Å; Y603-Y605 VanDerWaalsContact C-N 3.29Å; Y603-Y605 PolarHBondContact O-N 3.36Å; Y605-L607 VanDerWaalsContact C-N 3.28Å; Y605-L607 PolarHBondContact O-N 3.36Å; Y605-A608 PolarHBondContact O-N 3.39Å; Y605-T609 HydrophobicContact CD1-CG2 4.35Å; Y605-T609 HydrophobicContact CD2-CG2 4.42Å; Y605-T609 HydrophobicContact CE1-CG2 3.93Å; Y605-T609 HydrophobicContact CE2-CG2 4Å; Y605-T609 WeakPolarHBondContact O-CB 2.95Å; Y605-T609 WeakPolarHBondContact O-CG2 3.47Å; Y605-T609 PolarHBondContact O-N 3.17Å; Y605-T609 PolarHBondContact O-OG1 3.45Å
606E96Very high95.9Very high70 Ų7030.8 Ų30.833%0.32715%0.152SC..Hα-helixtrans-58.3-41.1172.7-169.2-169.8159.700111.2R583 D602 Y603 T609 T610R583-E606 IonicContact CZ-OE2 3.94Å; R583-E606 VanDerWaalsContact NH1-CD 3.3Å; R583-E606 IonicContact NH1-OE1 3.84Å; R583-E606 PolarHBondContact NH1-OE1 3.26Å; R583-E606 IonicContact NH1-OE2 3.82Å; R583-E606 PolarHBondContact NH1-OE2 2.95Å; R583-E606 IonicContact NH2-OE2 3.24Å; D602-E606 WeakPolarHBondContact O-CB 3.42Å; D602-E606 PolarHBondContact O-N 3.07Å; Y603-E606 WeakPolarHBondContact O-CB 3.34Å; Y603-E606 PolarHBondContact O-N 3.16Å; E606-T609 WeakPolarHBondContact CA-OG1 3.42Å; E606-T609 PolarHBondContact O-OG1 3.28Å; E606-T610 WeakPolarHBondContact O-CB 3.38Å; E606-T610 PolarHBondContact O-N 3.26Å; E606-T610 PolarHBondContact O-OG1 2.84Å
607L96.9Very high95.8Very high0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-65.7-46.3177.9-178.161.7000111.6L577 C580 I581 Y603 L604 Y605 T610 F611 T644 I647 M648L577-L607 HydrophobicContact CD1-CD1 3.94Å; C580-L607 HydrophobicContact CB-CD1 4.3Å; I581-L607 HydrophobicContact CG1-CD1 3.88Å; Y603-L607 HydrophobicContact CE1-CD2 4.49Å; Y603-L607 WeakPolarHBondContact O-CB 3.37Å; Y603-L607 PolarHBondContact O-N 3.33Å; L604-L607 PolarHBondContact O-N 2.86Å; Y605-L607 VanDerWaalsContact C-N 3.28Å; Y605-L607 PolarHBondContact O-N 3.36Å; L607-T610 PolarHBondContact O-N 2.91Å; L607-F611 WeakPolarHBondContact O-CB 3.45Å; L607-F611 PolarHBondContact O-N 3.03Å; L607-T644 HydrophobicContact CD1-CG2 4.08Å; L607-T644 HydrophobicContact CD2-CG2 4.24Å; L607-T644 HydrophobicContact CG-CG2 3.97Å; L607-I647 HydrophobicContact CD2-CB 4.15Å; L607-I647 HydrophobicContact CD2-CG2 3.63Å; L607-M648 HydrophobicContact CD2-CG 3.8Å; L607-M648 HydrophobicContact CG-CG 4.48Å
608A96.3Very high95.6Very high1 Ų132 Ų321%0.00816%0.163CC..Hα-helixtrans-65.3-40.4179.100000112.9Y536 L537 A540 L604 Y605 F611 T612 M648Y536-A608 HydrophobicContact CE1-CB 4.02Å; L537-A608 HydrophobicContact CD2-CB 3.81Å; A540-A608 HydrophobicContact CB-CB 4.36Å; L604-A608 PolarHBondContact O-N 3.34Å; L604-A608 VanDerWaalsContact O-N 3.1Å; Y605-A608 PolarHBondContact O-N 3.39Å; A608-F611 PolarHBondContact O-N 3.4Å; A608-T612 PolarHBondContact O-N 2.86Å; A608-T612 PolarHBondContact O-OG1 3.25Å; A608-M648 HydrophobicContact CB-CE 4.29Å
609T95Very high95.3Very high39 Ų3937.4 Ų37.424%0.23918%0.184CC..Hα-helixtrans-68.6-43.317650.20000111.5Y605 E606 F611 T612 E613Y605-T609 HydrophobicContact CD1-CG2 4.35Å; Y605-T609 HydrophobicContact CD2-CG2 4.42Å; Y605-T609 HydrophobicContact CE1-CG2 3.93Å; Y605-T609 HydrophobicContact CE2-CG2 4Å; Y605-T609 WeakPolarHBondContact O-CB 2.95Å; Y605-T609 WeakPolarHBondContact O-CG2 3.47Å; Y605-T609 PolarHBondContact O-N 3.17Å; Y605-T609 PolarHBondContact O-OG1 3.45Å; E606-T609 WeakPolarHBondContact CA-OG1 3.42Å; E606-T609 PolarHBondContact O-OG1 3.28Å; T609-F611 VanDerWaalsContact C-N 3.32Å; T609-F611 PolarHBondContact O-N 2.75Å; T609-T612 WeakPolarHBondContact O-CB 3.18Å; T609-T612 PolarHBondContact O-N 3.19Å; T609-T612 VanDerWaalsContact O-N 3.14Å; T609-E613 PolarHBondContact O-N 3.44Å; T609-E613 VanDerWaalsContact O-N 3.07Å
610T95.6Very high95Very high2 Ų236.9 Ų36.91%0.01218%0.18CC..Hα-helixtrans-62.7-38.3174.7-60.50000111.9K576 L577 C580 E606 L607 T612 E613 F614K576-T610 HydrophobicContact CB-CG2 4.37Å; K576-T610 HydrophobicContact CD-CG2 4.09Å; K576-T610 HydrophobicContact CG-CG2 3.82Å; L577-T610 HydrophobicContact CB-CG2 4.12Å; L577-T610 HydrophobicContact CD1-CG2 4.18Å; C580-T610 HydrophobicContact CB-CG2 4.43Å; E606-T610 WeakPolarHBondContact O-CB 3.38Å; E606-T610 PolarHBondContact O-N 3.26Å; E606-T610 PolarHBondContact O-OG1 2.84Å; L607-T610 PolarHBondContact O-N 2.91Å; T610-T612 VanDerWaalsContact C-N 3.33Å; T610-T612 PolarHBondContact O-N 3.4Å; T610-E613 PolarHBondContact O-N 3.24Å; T610-F614 PolarHBondContact O-N 3.42Å; T610-F614 VanDerWaalsContact O-N 3.07Å
611F96.7Very high94.5Very high7 Ų738.3 Ų38.33%0.03119%0.189CC..Hα-helixtrans-61.6-42.2173.2178.7-88.6000111.8I544 I547 L577 L607 A608 T609 F614 Y615 C641 T644I544-F611 HydrophobicContact CB-CE1 4.49Å; I544-F611 HydrophobicContact CB-CZ 4.36Å; I544-F611 HydrophobicContact CD1-CD1 3.96Å; I544-F611 HydrophobicContact CD1-CD2 4.33Å; I544-F611 HydrophobicContact CD1-CE1 4.24Å; I544-F611 HydrophobicContact CD1-CG 4.03Å; I544-F611 HydrophobicContact CG1-CD1 3.65Å; I544-F611 HydrophobicContact CG1-CD2 4.28Å; I544-F611 HydrophobicContact CG1-CE1 3.42Å; I544-F611 VanDerWaalsContact CG1-CE1 3.42Å; I544-F611 HydrophobicContact CG1-CE2 4.07Å; I544-F611 HydrophobicContact CG1-CG 4.1Å; I544-F611 HydrophobicContact CG1-CZ 3.65Å; I544-F611 HydrophobicContact CG2-CE2 4.23Å; I544-F611 HydrophobicContact CG2-CZ 4.19Å; I547-F611 HydrophobicContact CD1-CE1 4.18Å; I547-F611 HydrophobicContact CD1-CZ 3.71Å; L577-F611 HydrophobicContact CD1-CB 4.31Å; L577-F611 HydrophobicContact CD2-CD2 4.09Å; L607-F611 WeakPolarHBondContact O-CB 3.45Å; L607-F611 PolarHBondContact O-N 3.03Å; A608-F611 PolarHBondContact O-N 3.4Å; T609-F611 VanDerWaalsContact C-N 3.32Å; T609-F611 PolarHBondContact O-N 2.75Å; F611-F614 HydrophobicContact CD2-CD1 4.19Å; F611-F614 HydrophobicContact CE2-CD1 4.08Å; F611-F614 HydrophobicContact CE2-CE1 4.21Å; F611-F614 WeakPolarHBondContact O-CB 3.34Å; F611-F614 PolarHBondContact O-N 3.1Å; F611-Y615 HydrophobicContact CE1-CG 4.35Å; F611-Y615 HydrophobicContact CZ-CD2 4.37Å; F611-Y615 WeakPolarHBondContact O-CB 3.4Å; F611-Y615 PolarHBondContact O-N 3Å; F611-C641 HydrophobicContact CE2-CB 4.26Å; F611-T644 HydrophobicContact CB-CG2 4.19Å; F611-T644 HydrophobicContact CD2-CG2 3.86Å; F611-T644 HydrophobicContact CG-CG2 4.23Å
612T94.8Very high93.9Very high43 Ų4341.7 Ų41.726%0.26421%0.205SC..Hα-helixtrans-61.9-46178.5-54.90000110.8A608 T609 T610 F614 Y615 D616A608-T612 PolarHBondContact O-N 2.86Å; A608-T612 PolarHBondContact O-OG1 3.25Å; T609-T612 WeakPolarHBondContact O-CB 3.18Å; T609-T612 PolarHBondContact O-N 3.19Å; T609-T612 VanDerWaalsContact O-N 3.14Å; T610-T612 VanDerWaalsContact C-N 3.33Å; T610-T612 PolarHBondContact O-N 3.4Å; T612-F614 VanDerWaalsContact C-N 3.29Å; T612-F614 PolarHBondContact O-N 3.41Å; T612-Y615 PolarHBondContact O-N 2.96Å; T612-D616 VanDerWaalsContact O-CG 3.31Å; T612-D616 PolarHBondContact O-N 2.99Å
613E94.8Very high93.3Very high64 Ų6443.2 Ų43.230%0.29921%0.208SC..Hα-helixtrans-57.6-40.8174.6-68.3179.8-155.700112.8K573 K576 T609 T610 S617K573-E613 HydrophobicContact CD-CB 4.33Å; K573-E613 IonicContact NZ-OE2 2.71Å; K573-E613 PolarHBondContact NZ-OE2 2.88Å; K576-E613 VanDerWaalsContact NZ-CD 3.26Å; K576-E613 IonicContact NZ-OE1 2.85Å; K576-E613 PolarHBondContact NZ-OE1 3.34Å; K576-E613 IonicContact NZ-OE2 2.98Å; K576-E613 PolarHBondContact NZ-OE2 3.44Å; T609-E613 PolarHBondContact O-N 3.44Å; T609-E613 VanDerWaalsContact O-N 3.07Å; T610-E613 PolarHBondContact O-N 3.24Å; E613-S617 WeakPolarHBondContact O-CB 3.41Å; E613-S617 PolarHBondContact O-N 3.28Å; E613-S617 PolarHBondContact O-OG 3.37Å
614F96Very high92.3Very high0 Ų045.6 Ų45.60%022%0.221CC..Hα-helixtrans-65.2-50.1176.1157.7-103.7000111.4K573 E574 L577 T610 F611 T612 D616 S617 C618 R637 L640K573-F614 HydrophobicContact CB-CB 4.44Å; E574-F614 HydrophobicContact CG-CD2 3.82Å; E574-F614 HydrophobicContact CG-CE2 3.54Å; L577-F614 HydrophobicContact CB-CB 4.45Å; L577-F614 HydrophobicContact CD2-CB 4Å; L577-F614 HydrophobicContact CD2-CD1 3.48Å; L577-F614 VanDerWaalsContact CD2-CD1 3.48Å; L577-F614 HydrophobicContact CD2-CD2 4.37Å; L577-F614 HydrophobicContact CD2-CE1 4.02Å; L577-F614 HydrophobicContact CD2-CG 3.67Å; T610-F614 PolarHBondContact O-N 3.42Å; T610-F614 VanDerWaalsContact O-N 3.07Å; F611-F614 HydrophobicContact CD2-CD1 4.19Å; F611-F614 HydrophobicContact CE2-CD1 4.08Å; F611-F614 HydrophobicContact CE2-CE1 4.21Å; F611-F614 WeakPolarHBondContact O-CB 3.34Å; F611-F614 PolarHBondContact O-N 3.1Å; T612-F614 VanDerWaalsContact C-N 3.29Å; T612-F614 PolarHBondContact O-N 3.41Å; F614-D616 VanDerWaalsContact C-N 3.3Å; F614-D616 PolarHBondContact O-N 2.86Å; F614-S617 PolarHBondContact O-N 3.43Å; F614-S617 VanDerWaalsContact O-N 3.16Å; F614-C618 HydrophobicContact CD2-CB 3.73Å; F614-C618 HydrophobicContact CE2-CB 3.53Å; F614-C618 HydrophobicContact CZ-CB 4.38Å; F614-C618 VanDerWaalsContact O-CB 3.31Å; F614-C618 WeakPolarHBondContact O-CB 3.36Å; F614-C618 PolarHBondContact O-N 3.42Å; F614-R637 HydrophobicContact CE2-CG 4.25Å; F614-R637 HydrophobicContact CZ-CB 3.97Å; F614-R637 HydrophobicContact CZ-CG 4Å; F614-L640 HydrophobicContact CE2-CD1 4.14Å; F614-L640 HydrophobicContact CZ-CB 4.43Å; F614-L640 HydrophobicContact CZ-CD1 4.12Å
615Y93.6Very high91.3Very high79 Ų7957 Ų5731%0.3126%0.264SS..Hα-helixtrans-62.4-37.7-176.8-176.7-101.7000112.4I547 F611 T612 S617I547-Y615 HydrophobicContact CD1-CD2 3.59Å; I547-Y615 HydrophobicContact CD1-CE2 3.37Å; I547-Y615 HydrophobicContact CG1-CE2 3.85Å; I547-Y615 HydrophobicContact CG2-CE2 4.44Å; F611-Y615 HydrophobicContact CE1-CG 4.35Å; F611-Y615 HydrophobicContact CZ-CD2 4.37Å; F611-Y615 WeakPolarHBondContact O-CB 3.4Å; F611-Y615 PolarHBondContact O-N 3Å; T612-Y615 PolarHBondContact O-N 2.96Å; Y615-S617 VanDerWaalsContact C-N 3.34Å
616D93.3Very high90.1Very high107 Ų10762.7 Ų62.757%0.57229%0.293SS*.Hα-helixtrans-71.5-29.7178.5-68.3-15.5000112.4T612 F614T612-D616 VanDerWaalsContact O-CG 3.31Å; T612-D616 PolarHBondContact O-N 2.99Å; F614-D616 VanDerWaalsContact C-N 3.3Å; F614-D616 PolarHBondContact O-N 2.86Å
617S93.3Very high89.1Confident59 Ų5963.6 Ų63.641%0.41330%0.303SS..Hα-helixtrans-94.1-27.7-177.1-52.60000113.7E613 F614 Y615E613-S617 WeakPolarHBondContact O-CB 3.41Å; E613-S617 PolarHBondContact O-N 3.28Å; E613-S617 PolarHBondContact O-OG 3.37Å; F614-S617 PolarHBondContact O-N 3.43Å; F614-S617 VanDerWaalsContact O-N 3.16Å; Y615-S617 VanDerWaalsContact C-N 3.34Å
618C92.3Very high88Confident2 Ų265.7 Ų65.71%0.01433%0.325CS..SBendtrans-126.2106.2-168.8-610000111H571 F614 C620H571-C618 PolarHBondContact ND1-SG 3.24Å; F614-C618 HydrophobicContact CD2-CB 3.73Å; F614-C618 HydrophobicContact CE2-CB 3.53Å; F614-C618 HydrophobicContact CZ-CB 4.38Å; F614-C618 VanDerWaalsContact O-CB 3.31Å; F614-C618 WeakPolarHBondContact O-CB 3.36Å; F614-C618 PolarHBondContact O-N 3.42Å; C618-C620 PolarHBondContact O-N 3.22Å; C618-C620 VanDerWaalsContact O-N 3.14Å
619Y90.3Very high87Confident149 Ų14972.1 Ų72.158%0.58436%0.355SS*.  trans-61.7116.8179.6-63.8-74.9000112.1E622 N634 R637Y619-E622 HydrophobicContact CG-CG 4.44Å; Y619-N634 PolarHBondContact O-ND2 3.4Å; Y619-R637 VanDerWaalsContact O-CD 3.24Å; Y619-R637 WeakPolarHBondContact O-CD 3.41Å; Y619-R637 PolarHBondContact O-NH1 3.11Å
620C88.2Confident86.2Confident2 Ų273.3 Ų73.31%0.01436%0.362CS..SBendtrans-81.6-44.1173.1-62.70000111.4I547 C618 N634 R637 M638I547-C620 HydrophobicContact CG2-CB 4.2Å; C618-C620 PolarHBondContact O-N 3.22Å; C618-C620 VanDerWaalsContact O-N 3.14Å; C620-N634 PolarHBondContact O-N 3.36Å; C620-R637 HydrophobicContact CB-CB 4.46Å; C620-M638 HydrophobicContact CB-SD 3.99Å
621V87.5Confident85.4Confident31 Ų3178 Ų7819%0.18839%0.387CS..EExtended strand (participates in β ladder)trans-126.2117.2177.4-176.70000107.5I547 A551 K623 V630 M638I547-V621 HydrophobicContact CG2-CG2 4.37Å; A551-V621 HydrophobicContact CB-CG2 4.01Å; V621-K623 HydrophobicContact CG1-CG 4.32Å; V621-V630 HydrophobicContact CG1-CB 4.36Å; V621-V630 HydrophobicContact CG1-CG1 3.62Å; V621-V630 HydrophobicContact CG1-CG2 3.89Å; V621-M638 HydrophobicContact CG2-SD 4.18Å
622E84.9Confident84.8Confident70 Ų7082.7 Ų82.733%0.32741%0.407SS..EExtended strand (participates in β ladder)trans-93.3122.8175.8-65.9168.8-147.300108.2Y619 N631 K632 N634Y619-E622 HydrophobicContact CG-CG 4.44Å; E622-N631 PolarHBondContact O-N 2.98Å; E622-K632 HydrophobicContact CB-CB 4.17Å; E622-K632 PolarHBondContact N-O 3.42Å; E622-K632 PolarHBondContact O-N 3.12Å; E622-N634 PolarHBondContact OE1-ND2 3.33Å
623K83.1Confident84.4Confident109 Ų10983.4 Ų83.447%0.47441%0.409SS..EExtended strand (participates in β ladder)trans-109.9147.1177.8-65.2-176.5175.2-168.30110.5V621 R625 E629 V630V621-K623 HydrophobicContact CG1-CG 4.32Å; K623-R625 PolarHBondContact O-N 3.45Å; K623-E629 CarbonylContact C-O 3.53Å; K623-E629 WeakPolarHBondContact CA-O 3.4Å; K623-V630 HydrophobicContact CG-CG2 4.28Å
624D77Confident84.2Confident52 Ų5280.5 Ų80.528%0.27840%0.395SS..  trans-63131.9168.9-162.5-66.7000109.8Q626 T627 G628 E629 N631D624-Q626 VanDerWaalsContact C-N 3.27Å; D624-Q626 PolarHBondContact O-N 3.23Å; D624-Q626 WeakPolarHBondContact OD1-CB 3.41Å; D624-Q626 PolarHBondContact OD1-N 2.91Å; D624-T627 VanDerWaalsContact CB-OG1 3.31Å; D624-T627 WeakPolarHBondContact CB-OG1 3.47Å; D624-T627 PolarHBondContact OD1-N 3.25Å; D624-G628 VanDerWaalsContact O-CA 3.27Å; D624-G628 WeakPolarHBondContact O-CA 3.36Å; D624-G628 PolarHBondContact O-N 3.17Å; D624-E629 PolarHBondContact N-O 3.37Å; D624-N631 WeakPolarHBondContact CA-ND2 3.36Å; D624-N631 WeakPolarHBondContact CB-ND2 3.41Å; D624-N631 PolarHBondContact N-ND2 3.35Å; D624-N631 PolarHBondContact OD2-ND2 2.91Å
625R74.1Confident83.9Confident240 Ų24082.8 Ų82.891%0.90641%0.406SS*.THydrogen-bonded Turntrans-70.8-22.3-178.4-71.9-175.3179.2178.50.2113.1K623K623-R625 PolarHBondContact O-N 3.45Å
626Q73.1Confident83.8Confident190 Ų19081.7 Ų81.789%0.88840%0.402SS*.THydrogen-bonded Turntrans-95.6-42-176.9-62.7-174.5-3.700112.1D624D624-Q626 VanDerWaalsContact C-N 3.27Å; D624-Q626 PolarHBondContact O-N 3.23Å; D624-Q626 WeakPolarHBondContact OD1-CB 3.41Å; D624-Q626 PolarHBondContact OD1-N 2.91Å
627T74.9Confident83.9Confident89 Ų8978.4 Ų78.455%0.54638%0.382SS..THydrogen-bonded Turntrans-98.4-20-177.266.30000113.5D624 E629D624-T627 VanDerWaalsContact CB-OG1 3.31Å; D624-T627 WeakPolarHBondContact CB-OG1 3.47Å; D624-T627 PolarHBondContact OD1-N 3.25Å; T627-E629 PolarHBondContact O-N 3.45Å; T627-E629 PolarHBondContact OG1-N 2.98Å
628G72.9Confident83.8Confident44 Ų4475.7 Ų75.745%0.45436%0.362SS..  trans72.83-174.600000114.2D624D624-G628 VanDerWaalsContact O-CA 3.27Å; D624-G628 WeakPolarHBondContact O-CA 3.36Å; D624-G628 PolarHBondContact O-N 3.17Å
629E75.9Confident83.9Confident136 Ų13675.6 Ų75.664%0.63636%0.362SS*.  trans-73.5151.9177.9-67.1-172.6158.700111.5K623 D624 T627 N631K623-E629 CarbonylContact C-O 3.53Å; K623-E629 WeakPolarHBondContact CA-O 3.4Å; D624-E629 PolarHBondContact N-O 3.37Å; T627-E629 PolarHBondContact O-N 3.45Å; T627-E629 PolarHBondContact OG1-N 2.98Å; E629-N631 PolarHBondContact O-N 3.49Å
630V78Confident84.1Confident64 Ų6468.5 Ų68.539%0.38833%0.334SS..EExtended strand (participates in β ladder)trans-77.8111.3-179.6177.10000109.3V621 K623 I633V621-V630 HydrophobicContact CG1-CB 4.36Å; V621-V630 HydrophobicContact CG1-CG1 3.62Å; V621-V630 HydrophobicContact CG1-CG2 3.89Å; K623-V630 HydrophobicContact CG-CG2 4.28Å; V630-I633 HydrophobicContact CG1-CD1 4.01Å; V630-I633 HydrophobicContact CG1-CG1 3.59Å
631N78.6Confident84.5Confident102 Ų10268.6 Ų68.655%0.54534%0.335SS..EExtended strand (participates in β ladder)trans-83.2-43.5178.8-77.9-11.8000111.8E622 D624 E629E622-N631 PolarHBondContact O-N 2.98Å; D624-N631 WeakPolarHBondContact CA-ND2 3.36Å; D624-N631 WeakPolarHBondContact CB-ND2 3.41Å; D624-N631 PolarHBondContact N-ND2 3.35Å; D624-N631 PolarHBondContact OD2-ND2 2.91Å; E629-N631 PolarHBondContact O-N 3.49Å
632K84.5Confident84.8Confident105 Ų10568.7 Ų68.746%0.45733%0.333SS..EExtended strand (participates in β ladder)trans-148.8136.8-175.4-171.4-176.7178.4-164.70111.5E622 N634E622-K632 HydrophobicContact CB-CB 4.17Å; E622-K632 PolarHBondContact N-O 3.42Å; E622-K632 PolarHBondContact O-N 3.12Å; K632-N634 WeakPolarHBondContact CE-OD1 3.35Å; K632-N634 PolarHBondContact NZ-OD1 2.89Å
633I86.4Confident85.2Confident58 Ų5865.4 Ų65.430%0.29732%0.317SS..EExtended strand (participates in β ladder)trans-113.4118.3172.8-59.1170.3000107.7A551 L553 V630 M635 M638A551-I633 HydrophobicContact CB-CD1 4.17Å; L553-I633 HydrophobicContact CD1-CG2 4.21Å; V630-I633 HydrophobicContact CG1-CD1 4.01Å; V630-I633 HydrophobicContact CG1-CG1 3.59Å; I633-M635 HydrophobicContact CG2-CE 4.49Å; I633-M635 PolarHBondContact O-N 3.39Å; I633-M638 HydrophobicContact CG2-CG 3.77Å; I633-M638 HydrophobicContact CG2-SD 4.43Å
634N90.6Very high85.9Confident3 Ų360.2 Ų60.22%0.01630%0.295CS..  trans-8593.8177.6-67.4-53.5000108.9Y619 C620 E622 K632 W636 R637 M638Y619-N634 PolarHBondContact O-ND2 3.4Å; C620-N634 PolarHBondContact O-N 3.36Å; E622-N634 PolarHBondContact OE1-ND2 3.33Å; K632-N634 WeakPolarHBondContact CE-OD1 3.35Å; K632-N634 PolarHBondContact NZ-OD1 2.89Å; N634-W636 HydrophobicContact CB-CH2 4.18Å; N634-W636 HydrophobicContact CB-CZ2 4.21Å; N634-W636 HydrophobicContact CB-CZ3 4.41Å; N634-W636 PolarHBondContact O-N 3.21Å; N634-R637 HydrophobicContact CB-CB 4.25Å; N634-R637 HydrophobicContact CB-CG 4.23Å; N634-R637 WeakPolarHBondContact O-CB 3.34Å; N634-R637 PolarHBondContact O-N 2.8Å; N634-M638 PolarHBondContact O-N 3.15Å; N634-M638 VanDerWaalsContact O-N 3.15Å
635M89.8Confident86.7Confident47 Ų4757.8 Ų57.823%0.23228%0.282CS..Hα-helixtrans-60.5-39.7-168.2-169.556.468.300113.9L553 A561 T565 I633 R637 M638 L639L553-M635 HydrophobicContact CD1-CE 4.02Å; L553-M635 HydrophobicContact CD1-SD 4.31Å; L553-M635 HydrophobicContact CD2-CE 4Å; A561-M635 HydrophobicContact CB-CE 4.43Å; A561-M635 HydrophobicContact CB-CG 3.57Å; A561-M635 HydrophobicContact CB-SD 3.58Å; A561-M635 VanDerWaalsContact CB-SD 3.58Å; T565-M635 HydrophobicContact CG2-CB 4.29Å; T565-M635 HydrophobicContact CG2-CG 4.36Å; I633-M635 HydrophobicContact CG2-CE 4.49Å; I633-M635 PolarHBondContact O-N 3.39Å; M635-R637 VanDerWaalsContact C-N 3.26Å; M635-R637 PolarHBondContact O-N 3.22Å; M635-M638 WeakPolarHBondContact O-CA 3.43Å; M635-M638 VanDerWaalsContact O-CB 3.31Å; M635-M638 WeakPolarHBondContact O-CB 3.44Å; M635-M638 PolarHBondContact O-N 2.84Å; M635-M638 HydrophobicContact SD-CB 4.16Å; M635-L639 WeakPolarHBondContact O-CG 3.37Å; M635-L639 PolarHBondContact O-N 3Å
636W91.9Very high87.7Confident56 Ų5647.9 Ų47.921%0.21225%0.25CC..Hα-helixtrans-62.8-32177.267.594000113.1T565 L568 N634 L639 L640T565-W636 HydrophobicContact CG2-CB 4.27Å; L568-W636 HydrophobicContact CB-CG 4.35Å; L568-W636 HydrophobicContact CD1-CD2 4.37Å; N634-W636 HydrophobicContact CB-CH2 4.18Å; N634-W636 HydrophobicContact CB-CZ2 4.21Å; N634-W636 HydrophobicContact CB-CZ3 4.41Å; N634-W636 PolarHBondContact O-N 3.21Å; W636-L639 WeakPolarHBondContact O-CB 3.45Å; W636-L639 PolarHBondContact O-N 3.17Å; W636-L640 PolarHBondContact O-N 3Å; W636-L640 VanDerWaalsContact O-N 3.11Å
637R94Very high88.8Confident39 Ų3938.8 Ų38.815%0.14721%0.207CC..Hα-helixtrans-71.5-34.1173.4-68.7-177.6176.2159.30.8111.7E574 F614 Y619 C620 N634 M635 L639 L640 C641E574-R637 IonicContact OE1-CZ 3.14Å; E574-R637 IonicContact OE1-NE 2.86Å; E574-R637 PolarHBondContact OE1-NE 3.1Å; E574-R637 IonicContact OE1-NH2 2.7Å; E574-R637 PolarHBondContact OE1-NH2 3.05Å; F614-R637 HydrophobicContact CE2-CG 4.25Å; F614-R637 HydrophobicContact CZ-CB 3.97Å; F614-R637 HydrophobicContact CZ-CG 4Å; Y619-R637 VanDerWaalsContact O-CD 3.24Å; Y619-R637 WeakPolarHBondContact O-CD 3.41Å; Y619-R637 PolarHBondContact O-NH1 3.11Å; C620-R637 HydrophobicContact CB-CB 4.46Å; N634-R637 HydrophobicContact CB-CB 4.25Å; N634-R637 HydrophobicContact CB-CG 4.23Å; N634-R637 WeakPolarHBondContact O-CB 3.34Å; N634-R637 PolarHBondContact O-N 2.8Å; M635-R637 VanDerWaalsContact C-N 3.26Å; M635-R637 PolarHBondContact O-N 3.22Å; R637-L639 VanDerWaalsContact C-N 3.3Å; R637-L640 WeakPolarHBondContact O-CB 3.33Å; R637-L640 PolarHBondContact O-N 3.2Å; R637-C641 PolarHBondContact O-N 2.78Å; R637-C641 PolarHBondContact O-SG 2.94Å; R637-C641 VanDerWaalsContact O-SG 3.35Å
638M92.4Very high89.9Confident1 Ų134.6 Ų34.61%0.00518%0.181CC..Hα-helixtrans-63.5-38.5171.4-61.4-55.9-53.700111.4I547 A548 A551 L553 L558 C620 V621 I633 N634 M635 L640 C641 E642I547-M638 HydrophobicContact CG2-CE 3.87Å; I547-M638 HydrophobicContact CG2-SD 3.96Å; A548-M638 VanDerWaalsContact CA-CE 3.48Å; A548-M638 HydrophobicContact CB-CE 3.97Å; A551-M638 HydrophobicContact CB-CE 4.48Å; L553-M638 HydrophobicContact CD1-CB 4.41Å; L553-M638 HydrophobicContact CD1-CE 4.08Å; L553-M638 HydrophobicContact CD1-CG 4.06Å; L558-M638 HydrophobicContact CD2-CB 4.2Å; C620-M638 HydrophobicContact CB-SD 3.99Å; V621-M638 HydrophobicContact CG2-SD 4.18Å; I633-M638 HydrophobicContact CG2-CG 3.77Å; I633-M638 HydrophobicContact CG2-SD 4.43Å; N634-M638 PolarHBondContact O-N 3.15Å; N634-M638 VanDerWaalsContact O-N 3.15Å; M635-M638 WeakPolarHBondContact O-CA 3.43Å; M635-M638 VanDerWaalsContact O-CB 3.31Å; M635-M638 WeakPolarHBondContact O-CB 3.44Å; M635-M638 PolarHBondContact O-N 2.84Å; M635-M638 HydrophobicContact SD-CB 4.16Å; M638-L640 VanDerWaalsContact C-N 3.33Å; M638-L640 PolarHBondContact O-N 3.3Å; M638-C641 WeakPolarHBondContact O-CB 3.24Å; M638-C641 PolarHBondContact O-N 3.42Å; M638-E642 PolarHBondContact O-N 2.93Å
639L93.8Very high90.9Very high1 Ų133.8 Ų33.81%0.00517%0.17CC..Hα-helixtrans-63.9-36.1173.1-62.9-179.6000112.2L179 A561 A562 T565 I567 M635 W636 R637 E642 A643L179-L639 HydrophobicContact CD1-CB 3.81Å; L179-L639 HydrophobicContact CD1-CD2 4.23Å; L179-L639 HydrophobicContact CD1-CG 4.44Å; A561-L639 HydrophobicContact CB-CD2 4.33Å; A562-L639 HydrophobicContact CB-CD1 4.49Å; A562-L639 HydrophobicContact CB-CD2 3.93Å; T565-L639 HydrophobicContact CG2-CD1 4.48Å; I567-L639 HydrophobicContact CD1-CB 4.19Å; I567-L639 HydrophobicContact CD1-CD1 4.49Å; I567-L639 HydrophobicContact CG1-CB 4.28Å; I567-L639 HydrophobicContact CG1-CD1 4.09Å; M635-L639 WeakPolarHBondContact O-CG 3.37Å; M635-L639 PolarHBondContact O-N 3Å; W636-L639 WeakPolarHBondContact O-CB 3.45Å; W636-L639 PolarHBondContact O-N 3.17Å; R637-L639 VanDerWaalsContact C-N 3.3Å; L639-E642 PolarHBondContact O-N 3.25Å; L639-A643 VanDerWaalsContact O-CB 3.26Å; L639-A643 WeakPolarHBondContact O-CB 3.45Å; L639-A643 PolarHBondContact O-N 3.25Å
640L95.2Very high91.9Very high0 Ų029.7 Ų29.70%015%0.15CC..Hα-helixtrans-64.5-39.3171.9-69.2175.8000112.5L175 I567 L569 E574 L577 F614 W636 R637 M638 A643 T644L175-L640 HydrophobicContact CD1-CD2 3.9Å; I567-L640 HydrophobicContact CG2-CD2 3.87Å; I567-L640 HydrophobicContact CG2-CG 4.14Å; L569-L640 HydrophobicContact CD2-CD1 4.44Å; L569-L640 HydrophobicContact CD2-CD2 4.3Å; E574-L640 HydrophobicContact CB-CD1 4.37Å; E574-L640 HydrophobicContact CG-CD1 4.26Å; L577-L640 HydrophobicContact CD2-CB 4.33Å; F614-L640 HydrophobicContact CE2-CD1 4.14Å; F614-L640 HydrophobicContact CZ-CB 4.43Å; F614-L640 HydrophobicContact CZ-CD1 4.12Å; W636-L640 PolarHBondContact O-N 3Å; W636-L640 VanDerWaalsContact O-N 3.11Å; R637-L640 WeakPolarHBondContact O-CB 3.33Å; R637-L640 PolarHBondContact O-N 3.2Å; M638-L640 VanDerWaalsContact C-N 3.33Å; M638-L640 PolarHBondContact O-N 3.3Å; L640-A643 PolarHBondContact O-N 3.18Å; L640-T644 WeakPolarHBondContact O-CB 3.5Å; L640-T644 PolarHBondContact O-N 3.42Å; L640-T644 PolarHBondContact O-OG1 2.92Å
641C95Very high92.8Very high4 Ų426.6 Ų26.63%0.02713%0.132CC..Hα-helixtrans-60.8-45.7172.5-64.50000111.2I544 F611 R637 M638 T644 A645I544-C641 HydrophobicContact CG2-CB 4.11Å; I544-C641 VanDerWaalsContact CG2-O 3.27Å; I544-C641 WeakPolarHBondContact CG2-O 3.36Å; F611-C641 HydrophobicContact CE2-CB 4.26Å; R637-C641 PolarHBondContact O-N 2.78Å; R637-C641 PolarHBondContact O-SG 2.94Å; R637-C641 VanDerWaalsContact O-SG 3.35Å; M638-C641 WeakPolarHBondContact O-CB 3.24Å; M638-C641 PolarHBondContact O-N 3.42Å; C641-T644 PolarHBondContact O-N 3.01Å; C641-A645 WeakPolarHBondContact O-CB 3.44Å; C641-A645 PolarHBondContact O-N 2.89Å
642E94Very high93.7Very high33 Ų3321.8 Ų21.815%0.15411%0.106CC..Hα-helixtrans-66-40.9179.1-173.854.2-141.500112.2L179 R545 L558 M638 L639 T644 A645 S646L179-E642 HydrophobicContact CD2-CB 4.07Å; L179-E642 HydrophobicContact CD2-CG 3.85Å; R545-E642 IonicContact CZ-OE1 2.78Å; R545-E642 IonicContact CZ-OE2 3.77Å; R545-E642 IonicContact NH1-OE1 2.79Å; R545-E642 PolarHBondContact NH1-OE1 2.88Å; R545-E642 IonicContact NH1-OE2 3.78Å; R545-E642 PolarHBondContact NH1-OE2 2.66Å; R545-E642 IonicContact NH2-OE1 3.75Å; R545-E642 PolarHBondContact NH2-OE1 3.05Å; L558-E642 HydrophobicContact CD1-CG 4.49Å; M638-E642 PolarHBondContact O-N 2.93Å; L639-E642 PolarHBondContact O-N 3.25Å; E642-T644 VanDerWaalsContact C-N 3.35Å; E642-T644 PolarHBondContact O-N 3.33Å; E642-A645 PolarHBondContact O-N 3.4Å; E642-S646 WeakPolarHBondContact O-CB 3.34Å; E642-S646 PolarHBondContact O-N 3.46Å; E642-S646 PolarHBondContact O-OG 3.41Å; E642-S646 PolarHBondContact OE1-OG 2.99Å
643A94.9Very high94.2Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-60.8-45.7175.700000111M178 L179 I581 L639 L640 S646 I647M178-A643 HydrophobicContact CE-CB 3.45Å; M178-A643 VanDerWaalsContact CE-CB 3.45Å; L179-A643 HydrophobicContact CD1-CB 4.46Å; L179-A643 HydrophobicContact CD2-CB 4.01Å; L179-A643 HydrophobicContact CG-CB 4.32Å; I581-A643 HydrophobicContact CD1-CB 4Å; I581-A643 HydrophobicContact CG2-CB 4.45Å; L639-A643 VanDerWaalsContact O-CB 3.26Å; L639-A643 WeakPolarHBondContact O-CB 3.45Å; L639-A643 PolarHBondContact O-N 3.25Å; L640-A643 PolarHBondContact O-N 3.18Å; A643-S646 PolarHBondContact O-N 2.9Å; A643-I647 PolarHBondContact O-N 3.38Å; A643-I647 VanDerWaalsContact O-N 3.09Å
644T96.5Very high94.7Very high0 Ų017.1 Ų17.10%09%0.087CC..Hα-helixtrans-60.9-49176-54.50000110.7I544 L607 F611 L640 C641 E642 S646 I647 M648I544-T644 HydrophobicContact CD1-CG2 3.92Å; L607-T644 HydrophobicContact CD1-CG2 4.08Å; L607-T644 HydrophobicContact CD2-CG2 4.24Å; L607-T644 HydrophobicContact CG-CG2 3.97Å; F611-T644 HydrophobicContact CB-CG2 4.19Å; F611-T644 HydrophobicContact CD2-CG2 3.86Å; F611-T644 HydrophobicContact CG-CG2 4.23Å; L640-T644 WeakPolarHBondContact O-CB 3.5Å; L640-T644 PolarHBondContact O-N 3.42Å; L640-T644 PolarHBondContact O-OG1 2.92Å; C641-T644 PolarHBondContact O-N 3.01Å; E642-T644 VanDerWaalsContact C-N 3.35Å; E642-T644 PolarHBondContact O-N 3.33Å; T644-S646 VanDerWaalsContact C-N 3.32Å; T644-S646 PolarHBondContact O-N 3.48Å; T644-I647 PolarHBondContact O-N 3.11Å; T644-M648 HydrophobicContact CG2-CG 4.41Å; T644-M648 HydrophobicContact CG2-SD 4.15Å; T644-M648 WeakPolarHBondContact O-CG 3.43Å; T644-M648 PolarHBondContact O-N 3.47Å
645A95Very high95Very high1 Ų117 Ų171%0.0089%0.086CC..Hα-helixtrans-63.3-38.1-179.700000112.1F541 I544 R545 C641 E642 M648 A649F541-A645 HydrophobicContact CE2-CB 4.11Å; F541-A645 WeakPolarHBondContact CE2-O 3.43Å; I544-A645 HydrophobicContact CG2-CB 3.89Å; R545-A645 HydrophobicContact CG-CB 4.43Å; C641-A645 WeakPolarHBondContact O-CB 3.44Å; C641-A645 PolarHBondContact O-N 2.89Å; E642-A645 PolarHBondContact O-N 3.4Å; A645-M648 PolarHBondContact O-N 3.28Å; A645-A649 VanDerWaalsContact O-CB 3.28Å; A645-A649 WeakPolarHBondContact O-CB 3.48Å; A645-A649 PolarHBondContact O-N 3.09Å
646S94.6Very high95.2Very high32 Ų3214.9 Ų14.922%0.2248%0.077CC..Hα-helixtrans-64.4-43.7177.7-65.40000112.1E642 A643 T644 K650E642-S646 WeakPolarHBondContact O-CB 3.34Å; E642-S646 PolarHBondContact O-N 3.46Å; E642-S646 PolarHBondContact O-OG 3.41Å; E642-S646 PolarHBondContact OE1-OG 2.99Å; A643-S646 PolarHBondContact O-N 2.9Å; T644-S646 VanDerWaalsContact C-N 3.32Å; T644-S646 PolarHBondContact O-N 3.48Å; S646-K650 PolarHBondContact O-N 2.9Å; S646-K650 VanDerWaalsContact O-N 3.13Å
647I96.3Very high95.3Very high0 Ų012.3 Ų12.30%07%0.067CC..Hα-helixtrans-65.2-47.8174.2-69.1-63.9000111.2M73 M178 V183 I581 F584 Y603 L607 A643 T644 A649 K650 C651M73-I647 HydrophobicContact CE-CD1 3.92Å; M73-I647 HydrophobicContact SD-CD1 4.02Å; M178-I647 HydrophobicContact CE-CG1 4.21Å; M178-I647 HydrophobicContact SD-CD1 3.65Å; M178-I647 HydrophobicContact SD-CG1 3.86Å; V183-I647 HydrophobicContact CB-CD1 4.43Å; V183-I647 HydrophobicContact CG1-CD1 3.68Å; V183-I647 HydrophobicContact CG2-CD1 3.82Å; V183-I647 HydrophobicContact CG2-CG1 4.41Å; I581-I647 HydrophobicContact CG2-CG1 3.88Å; F584-I647 HydrophobicContact CB-CD1 4.08Å; F584-I647 HydrophobicContact CB-CG2 4.3Å; F584-I647 HydrophobicContact CD1-CD1 3.71Å; F584-I647 HydrophobicContact CD2-CG2 4.26Å; F584-I647 HydrophobicContact CE1-CD1 4.34Å; F584-I647 HydrophobicContact CG-CD1 4Å; F584-I647 HydrophobicContact CG-CG2 4.23Å; Y603-I647 HydrophobicContact CE1-CG2 4Å; L607-I647 HydrophobicContact CD2-CB 4.15Å; L607-I647 HydrophobicContact CD2-CG2 3.63Å; A643-I647 PolarHBondContact O-N 3.38Å; A643-I647 VanDerWaalsContact O-N 3.09Å; T644-I647 PolarHBondContact O-N 3.11Å; I647-A649 VanDerWaalsContact C-N 3.3Å; I647-A649 PolarHBondContact O-N 3.1Å; I647-K650 PolarHBondContact O-N 2.86Å; I647-C651 PolarHBondContact O-N 3.13Å; I647-C651 PolarHBondContact O-SG 2.91Å; I647-C651 VanDerWaalsContact O-SG 3.36Å
648M96.8Very high95.2Very high0 Ų014.5 Ų14.50%08%0.082CC..Hα-helixtrans-57.9-43.9178.1-71.6-175.175.400111.8F541 I544 L604 L607 A608 T644 A645 K650 C651 F652F541-M648 HydrophobicContact CB-CE 4.11Å; F541-M648 HydrophobicContact CD2-CB 3.99Å; I544-M648 HydrophobicContact CD1-SD 3.46Å; I544-M648 WeakPolarHBondContact CD1-SD 3.35Å; L604-M648 HydrophobicContact CD1-CB 4.08Å; L604-M648 HydrophobicContact CD1-CE 4.09Å; L604-M648 HydrophobicContact CD1-CG 3.75Å; L607-M648 HydrophobicContact CD2-CG 3.8Å; L607-M648 HydrophobicContact CG-CG 4.48Å; A608-M648 HydrophobicContact CB-CE 4.29Å; T644-M648 HydrophobicContact CG2-CG 4.41Å; T644-M648 HydrophobicContact CG2-SD 4.15Å; T644-M648 WeakPolarHBondContact O-CG 3.43Å; T644-M648 PolarHBondContact O-N 3.47Å; A645-M648 PolarHBondContact O-N 3.28Å; M648-K650 VanDerWaalsContact C-N 3.27Å; M648-K650 PolarHBondContact O-N 2.97Å; M648-C651 PolarHBondContact O-N 3.36Å; M648-F652 HydrophobicContact CB-CE2 4.2Å; M648-F652 HydrophobicContact CE-CE2 4.35Å; M648-F652 HydrophobicContact CE-CZ 3.9Å; M648-F652 WeakPolarHBondContact O-CB 3.45Å; M648-F652 WeakPolarHBondContact O-CD2 2.97Å; M648-F652 WeakPolarHBondContact O-CG 3.2Å; M648-F652 PolarHBondContact O-N 2.96Å
649A95.8Very high95Very high27 Ų2716.8 Ų16.822%0.22310%0.096CC..Hα-helixtrans-59.6-38.9176.200000111.9F541 A645 I647 F652 D653F541-A649 HydrophobicContact CE2-CB 4.02Å; F541-A649 HydrophobicContact CZ-CB 4.3Å; A645-A649 VanDerWaalsContact O-CB 3.28Å; A645-A649 WeakPolarHBondContact O-CB 3.48Å; A645-A649 PolarHBondContact O-N 3.09Å; I647-A649 VanDerWaalsContact C-N 3.3Å; I647-A649 PolarHBondContact O-N 3.1Å; A649-F652 PolarHBondContact O-N 2.7Å; A649-D653 WeakPolarHBondContact O-CB 3.38Å; A649-D653 PolarHBondContact O-N 3.31Å
650K95.9Very high94.6Very high50 Ų5017.6 Ų17.622%0.21710%0.101CC..Hα-helixtrans-71.9-38.6176.7-170.250.958.6-177.10112.7V183 F227 F584 S646 I647 M648 F652 D653 I654V183-K650 HydrophobicContact CB-CB 4.47Å; V183-K650 HydrophobicContact CG1-CB 3.98Å; V183-K650 HydrophobicContact CG1-CG 3.91Å; F227-K650 HydrophobicContact CD2-CD 3.56Å; F227-K650 HydrophobicContact CD2-CG 4.19Å; F227-K650 HydrophobicContact CE1-CG 4.29Å; F227-K650 HydrophobicContact CE2-CD 3.44Å; F227-K650 VanDerWaalsContact CE2-CD 3.44Å; F227-K650 HydrophobicContact CE2-CG 3.68Å; F227-K650 HydrophobicContact CG-CD 4.21Å; F227-K650 HydrophobicContact CZ-CD 4.04Å; F227-K650 HydrophobicContact CZ-CG 3.74Å; F584-K650 HydrophobicContact CE1-CG 4.21Å; F584-K650 HydrophobicContact CZ-CB 4.41Å; F584-K650 HydrophobicContact CZ-CG 3.95Å; S646-K650 PolarHBondContact O-N 2.9Å; S646-K650 VanDerWaalsContact O-N 3.13Å; I647-K650 PolarHBondContact O-N 2.86Å; M648-K650 VanDerWaalsContact C-N 3.27Å; M648-K650 PolarHBondContact O-N 2.97Å; K650-F652 VanDerWaalsContact C-N 3.33Å; K650-F652 PolarHBondContact O-N 2.74Å; K650-D653 HydrophobicContact CD-CB 4.44Å; K650-D653 IonicContact NZ-OD2 3.07Å; K650-D653 PolarHBondContact NZ-OD2 3.48Å; K650-D653 WeakPolarHBondContact O-CB 3.38Å; K650-D653 PolarHBondContact O-N 3.41Å; K650-I654 HydrophobicContact CG-CD1 4.39Å; K650-I654 WeakPolarHBondContact O-CG1 3.31Å; K650-I654 PolarHBondContact O-N 2.99Å
651C96.9Very high93.8Very high0 Ų022.4 Ų22.40%012%0.124CC..Hα-helixtrans-61.1-42.9171.6-64.70000111.3F584 L600 L604 I647 M648 I654 L655F584-C651 WeakPolarHBondContact CE2-SG 3.43Å; L600-C651 HydrophobicContact CD1-CB 4.47Å; L604-C651 HydrophobicContact CD1-CB 3.9Å; L604-C651 HydrophobicContact CD2-CB 3.98Å; L604-C651 HydrophobicContact CG-CB 4.39Å; I647-C651 PolarHBondContact O-N 3.13Å; I647-C651 PolarHBondContact O-SG 2.91Å; I647-C651 VanDerWaalsContact O-SG 3.36Å; M648-C651 PolarHBondContact O-N 3.36Å; C651-I654 PolarHBondContact O-N 2.84Å; C651-L655 WeakPolarHBondContact O-CB 3.37Å; C651-L655 VanDerWaalsContact O-CG 3.26Å; C651-L655 WeakPolarHBondContact O-CG 3.18Å; C651-L655 PolarHBondContact O-N 3.06Å
652F97.2Very high92.8Very high0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-60.5-46.5175.8-67.8-34.1000111.8L537 L538 F541 L604 M648 A649 K650 I654 L655 G656 L657 P659L537-F652 HydrophobicContact CB-CE1 3.92Å; L537-F652 HydrophobicContact CB-CZ 4.01Å; L538-F652 HydrophobicContact CD2-CE2 4.41Å; L538-F652 HydrophobicContact CD2-CZ 4.34Å; F541-F652 HydrophobicContact CB-CE2 3.66Å; F541-F652 HydrophobicContact CB-CZ 4.12Å; F541-F652 HydrophobicContact CD1-CE2 4.37Å; F541-F652 HydrophobicContact CD2-CD2 4.46Å; F541-F652 AromaticContact CD2-CE2 3.85Å; F541-F652 HydrophobicContact CD2-CE2 3.85Å; F541-F652 AromaticContact CG-CE2 3.7Å; F541-F652 HydrophobicContact CG-CE2 3.7Å; L604-F652 HydrophobicContact CD1-CE1 4.43Å; L604-F652 HydrophobicContact CD2-CD1 3.79Å; L604-F652 HydrophobicContact CD2-CE1 3.62Å; L604-F652 HydrophobicContact CG-CE1 4.41Å; M648-F652 HydrophobicContact CB-CE2 4.2Å; M648-F652 HydrophobicContact CE-CE2 4.35Å; M648-F652 HydrophobicContact CE-CZ 3.9Å; M648-F652 WeakPolarHBondContact O-CB 3.45Å; M648-F652 WeakPolarHBondContact O-CD2 2.97Å; M648-F652 WeakPolarHBondContact O-CG 3.2Å; M648-F652 PolarHBondContact O-N 2.96Å; A649-F652 PolarHBondContact O-N 2.7Å; K650-F652 VanDerWaalsContact C-N 3.33Å; K650-F652 PolarHBondContact O-N 2.74Å; F652-I654 PolarHBondContact O-N 3.36Å; F652-L655 CarbonylContact O-C 3.53Å; F652-L655 PolarHBondContact O-N 3.38Å; F652-G656 PolarHBondContact O-N 2.72Å; F652-L657 CarbonylContact C-O 3.3Å; F652-L657 HydrophobicContact CB-CB 3.88Å; F652-L657 HydrophobicContact CD1-CB 4.1Å; F652-L657 HydrophobicContact CD1-CD1 3.55Å; F652-L657 HydrophobicContact CD1-CG 4.46Å; F652-L657 HydrophobicContact CE1-CD1 4.15Å; F652-L657 HydrophobicContact CG-CB 4.27Å; F652-L657 HydrophobicContact CG-CD1 4.5Å; F652-L657 PolarHBondContact O-N 3.37Å; F652-P659 HydrophobicContact CB-CG 4.49Å; F652-P659 HydrophobicContact CD2-CB 3.78Å; F652-P659 HydrophobicContact CD2-CG 4.23Å; F652-P659 HydrophobicContact CE2-CB 4.31Å
653D95.9Very high91.5Very high64 Ų6426.4 Ų26.434%0.34214%0.138SC..Hα-helixtrans-56.1-48.5175.4-177.233.6000111.5R223 A649 K650 L655 G656R223-D653 WeakPolarHBondContact CD-O 3.36Å; R223-D653 IonicContact NH1-OD1 3.07Å; A649-D653 WeakPolarHBondContact O-CB 3.38Å; A649-D653 PolarHBondContact O-N 3.31Å; K650-D653 HydrophobicContact CD-CB 4.44Å; K650-D653 IonicContact NZ-OD2 3.07Å; K650-D653 PolarHBondContact NZ-OD2 3.48Å; K650-D653 WeakPolarHBondContact O-CB 3.38Å; K650-D653 PolarHBondContact O-N 3.41Å; D653-L655 VanDerWaalsContact C-N 3.34Å; D653-L655 PolarHBondContact O-N 2.66Å; D653-G656 PolarHBondContact O-N 2.87Å
654I95.9Very high91.3Very high1 Ų127.7 Ų27.71%0.00515%0.145CC..Hα-helixtrans-61.6-39.7177-66.5167.3000112.2S220 L224 F227 F584 L588 L600 K650 C651 F652 G656S220-I654 VanDerWaalsContact CA-O 3.32Å; S220-I654 WeakPolarHBondContact CA-O 3.44Å; S220-I654 WeakPolarHBondContact CB-O 3.36Å; S220-I654 PolarHBondContact OG-O 2.87Å; L224-I654 HydrophobicContact CB-CG2 3.93Å; L224-I654 HydrophobicContact CD1-CD1 4.46Å; L224-I654 HydrophobicContact CD1-CG2 4.34Å; F227-I654 HydrophobicContact CB-CD1 4.5Å; F227-I654 HydrophobicContact CB-CG1 4.38Å; F227-I654 HydrophobicContact CD1-CD1 3.85Å; F227-I654 HydrophobicContact CE1-CD1 4.39Å; F227-I654 HydrophobicContact CG-CD1 4.24Å; F584-I654 HydrophobicContact CE2-CD1 4.37Å; F584-I654 HydrophobicContact CZ-CD1 3.9Å; L588-I654 HydrophobicContact CD2-CD1 4.03Å; L600-I654 HydrophobicContact CD2-CB 4.11Å; L600-I654 HydrophobicContact CD2-CG2 3.64Å; K650-I654 HydrophobicContact CG-CD1 4.39Å; K650-I654 WeakPolarHBondContact O-CG1 3.31Å; K650-I654 PolarHBondContact O-N 2.99Å; C651-I654 PolarHBondContact O-N 2.84Å; F652-I654 PolarHBondContact O-N 3.36Å; I654-G656 PolarHBondContact O-N 2.99Å
655L96.6Very high91.1Very high1 Ų129.2 Ų29.21%0.00515%0.153CC..THydrogen-bonded Turntrans-77.6-2.2177.2-65171.2000113Y508 L511 L600 L604 C651 F652 D653 L657Y508-L655 HydrophobicContact CD2-CD1 4.17Å; Y508-L655 HydrophobicContact CE2-CD1 4.15Å; L511-L655 HydrophobicContact CB-CD2 4.33Å; L511-L655 HydrophobicContact CD1-CB 4.2Å; L511-L655 HydrophobicContact CD1-CD2 3.71Å; L600-L655 HydrophobicContact CD2-CD2 3.96Å; L600-L655 HydrophobicContact CD2-CG 3.98Å; L600-L655 HydrophobicContact CG-CD2 4.44Å; L600-L655 HydrophobicContact CG-CG 4.49Å; L604-L655 HydrophobicContact CD2-CD1 3.88Å; C651-L655 WeakPolarHBondContact O-CB 3.37Å; C651-L655 VanDerWaalsContact O-CG 3.26Å; C651-L655 WeakPolarHBondContact O-CG 3.18Å; C651-L655 PolarHBondContact O-N 3.06Å; F652-L655 CarbonylContact O-C 3.53Å; F652-L655 PolarHBondContact O-N 3.38Å; D653-L655 VanDerWaalsContact C-N 3.34Å; D653-L655 PolarHBondContact O-N 2.66Å; L655-L657 VanDerWaalsContact C-N 3.27Å; L655-L657 HydrophobicContact CB-CD1 3.89Å; L655-L657 HydrophobicContact CB-CG 3.92Å; L655-L657 HydrophobicContact CD1-CD1 4.04Å; L655-L657 PolarHBondContact O-N 3.31Å
656G94.4Very high90.9Very high3 Ų330.7 Ų30.73%0.03116%0.161CC..THydrogen-bonded Turntrans68.624.3-176.400000113.7K507 F652 D653 I654K507-G656 VanDerWaalsContact CD-O 3.29Å; K507-G656 WeakPolarHBondContact CD-O 3.37Å; K507-G656 PolarHBondContact NZ-O 2.89Å; F652-G656 PolarHBondContact O-N 2.72Å; D653-G656 PolarHBondContact O-N 2.87Å; I654-G656 PolarHBondContact O-N 2.99Å
657L94.9Very high90.6Very high2 Ų230.6 Ų30.61%0.0116%0.157CC..  trans-89.5133.8175.9-59.8171.9000109.4G504 K507 Y508 F652 L655 P659G504-L657 WeakPolarHBondContact O-CD2 3.49Å; K507-L657 HydrophobicContact CB-CD2 4.16Å; Y508-L657 HydrophobicContact CD2-CD1 3.95Å; F652-L657 CarbonylContact C-O 3.3Å; F652-L657 HydrophobicContact CB-CB 3.88Å; F652-L657 HydrophobicContact CD1-CB 4.1Å; F652-L657 HydrophobicContact CD1-CD1 3.55Å; F652-L657 HydrophobicContact CD1-CG 4.46Å; F652-L657 HydrophobicContact CE1-CD1 4.15Å; F652-L657 HydrophobicContact CG-CB 4.27Å; F652-L657 HydrophobicContact CG-CD1 4.5Å; F652-L657 PolarHBondContact O-N 3.37Å; L655-L657 VanDerWaalsContact C-N 3.27Å; L655-L657 HydrophobicContact CB-CD1 3.89Å; L655-L657 HydrophobicContact CB-CG 3.92Å; L655-L657 HydrophobicContact CD1-CD1 4.04Å; L655-L657 PolarHBondContact O-N 3.31Å; L657-P659 WeakPolarHBondContact O-CD 3.4Å
658N90.8Very high90.3Very high85 Ų8532.6 Ų32.646%0.45517%0.167SC..  trans-96.4101178-73-39.7000109.9A500A500-N658 VanDerWaalsContact CB-O 3.26Å; A500-N658 WeakPolarHBondContact CB-O 3.43Å
659P89Confident89.9Confident49 Ų4934.7 Ų34.732%0.31818%0.178SC..  trans-68.2146.2179.527.5-33.6000111.6F541 F652 L657F541-P659 HydrophobicContact CD1-CB 3.94Å; F541-P659 HydrophobicContact CE1-CB 3.66Å; F541-P659 HydrophobicContact CZ-CB 4.16Å; F652-P659 HydrophobicContact CB-CG 4.49Å; F652-P659 HydrophobicContact CD2-CB 3.78Å; F652-P659 HydrophobicContact CD2-CG 4.23Å; F652-P659 HydrophobicContact CE2-CB 4.31Å; L657-P659 WeakPolarHBondContact O-CD 3.4Å
660V85.3Confident89.4Confident17 Ų1735.3 Ų35.310%0.10318%0.175CC..  trans-107.4144.4171.7-69.50000110.4A500 T542 M663A500-V660 HydrophobicContact CB-CG1 3.72Å; T542-V660 HydrophobicContact CG2-CG2 3.96Å; T542-V660 WeakPolarHBondContact CG2-O 3.31Å; V660-M663 HydrophobicContact CG2-CB 4.02Å; V660-M663 HydrophobicContact CG2-CE 4.22Å; V660-M663 HydrophobicContact CG2-CG 4.41Å; V660-M663 HydrophobicContact CG2-SD 4.45Å
661Q77.4Confident88.9Confident102 Ų10234.2 Ų34.248%0.47717%0.171SC..SBendtrans-80.3-20.6179.3-66-66.4-14.300112.8R549R549-Q661 PolarHBondContact NH1-O 3.08Å; R549-Q661 VanDerWaalsContact NH1-O 3.14Å
662R74.5Confident88.3Confident97 Ų9737 Ų3737%0.36619%0.185SC..  trans-141.4138.9179.1-64.4179.972-157.44.3108.8L489 E493L489-R662 HydrophobicContact CD2-CB 4.02Å; E493-R662 IonicContact OE1-CZ 3.84Å; E493-R662 IonicContact OE1-NH1 2.91Å; E493-R662 PolarHBondContact OE1-NH1 2.61Å; E493-R662 IonicContact OE2-NH1 3.61Å; E493-R662 PolarHBondContact OE2-NH1 3.1Å
663M67.4Low87.5Confident23 Ų2340.4 Ų40.411%0.11320%0.202CC..  trans-151.70-177.3-169.7-179.6-127.100110.5R485 V501 L538 T542 V660R485-M663 WeakPolarHBondContact CD-OXT 3.44Å; R485-M663 VanDerWaalsContact CG-OXT 3.3Å; R485-M663 WeakPolarHBondContact CG-OXT 3.37Å; R485-M663 PolarHBondContact NE-OXT 2.91Å; R485-M663 PolarHBondContact NH1-O 2.94Å; R485-M663 PolarHBondContact NH1-OXT 2.81Å; V501-M663 HydrophobicContact CB-CE 4.43Å; V501-M663 HydrophobicContact CG2-CE 2.95Å; L538-M663 HydrophobicContact CB-CE 4.14Å; L538-M663 HydrophobicContact CB-SD 4.28Å; T542-M663 HydrophobicContact CG2-CB 3.56Å; V660-M663 HydrophobicContact CG2-CB 4.02Å; V660-M663 HydrophobicContact CG2-CE 4.22Å; V660-M663 HydrophobicContact CG2-CG 4.41Å; V660-M663 HydrophobicContact CG2-SD 4.45Å

Retrieved 663 of 663 residues in 532.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).