A0A077ZA50_TRITR Loading...

ATP binding cassette sub family B

AlphaFold DB , UniProt , Accession A0A077ZA50, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 599 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.2Very low62.2Low223 Ų22397.5 Ų97.5100%1.09949%0.491SS*.  0-41.70-91.4-176.1-175.900114.3K3 G4M1-K3 PolarHBondContact O-N 3.44Å; M1-G4 PolarHBondContact O-N 3.34Å
2V49.2Very low63.5Low129 Ų12998.1 Ų98.178%0.78248%0.483SS*.Hα-helixtrans-60.1-43.5179.5-177.70000112.7G4 R5V2-G4 PolarHBondContact O-N 3.17Å; V2-R5 PolarHBondContact O-N 3.19Å
3K56.8Low64.1Low98 Ų9890.6 Ų90.643%0.42645%0.446SS..Hα-helixtrans-61.9-36.5179.3-63.8-179175.2-178.90113.9M1 F6 D322 F325M1-K3 PolarHBondContact O-N 3.44Å; K3-F6 WeakPolarHBondContact O-CB 3.36Å; K3-F6 PolarHBondContact O-N 3.28Å; K3-D322 VanDerWaalsContact CD-OD1 3.27Å; K3-D322 WeakPolarHBondContact CD-OD1 3.44Å; K3-D322 IonicContact NZ-OD1 3.94Å; K3-D322 PolarHBondContact NZ-OD1 2.73Å; K3-D322 IonicContact NZ-OD2 3.78Å; K3-D322 PolarHBondContact NZ-OD2 3.09Å; K3-F325 HydrophobicContact CB-CD2 4.12Å; K3-F325 HydrophobicContact CB-CE2 3.92Å; K3-F325 HydrophobicContact CB-CZ 4.37Å; K3-F325 HydrophobicContact CD-CD2 3.92Å; K3-F325 HydrophobicContact CD-CE2 4.47Å; K3-F325 HydrophobicContact CG-CD2 4.18Å; K3-F325 HydrophobicContact CG-CE2 4.48Å
4G58.2Low64.6Low40 Ų4087.9 Ų87.941%0.41245%0.445SS..Hα-helixtrans-67.7-36.8178.800000113.2M1 V2 F6 L7 I8M1-G4 PolarHBondContact O-N 3.34Å; V2-G4 PolarHBondContact O-N 3.17Å; G4-F6 VanDerWaalsContact C-N 3.27Å; G4-F6 PolarHBondContact O-N 3.09Å; G4-L7 PolarHBondContact O-N 3.39Å; G4-I8 WeakPolarHBondContact O-CG1 3.18Å
5R62.6Low65.3Low205 Ų20587.7 Ų87.777%0.77448%0.475SS*.Hα-helixtrans-65.1-30.6176.2-82.3-175.1167.1-178.8-3.4112.8V2 L7 P9V2-R5 PolarHBondContact O-N 3.19Å; R5-L7 VanDerWaalsContact C-N 3.3Å; R5-L7 PolarHBondContact O-N 3.08Å; R5-P9 WeakPolarHBondContact O-CD 3.29Å
6F66.7Low66.4Low88 Ų8886.3 Ų86.339%0.38647%0.466SS..Hα-helixtrans-66.3-31.3177.8-172.2-90.4000112.7K3 G4 P9 Y10 F325K3-F6 WeakPolarHBondContact O-CB 3.36Å; K3-F6 PolarHBondContact O-N 3.28Å; G4-F6 VanDerWaalsContact C-N 3.27Å; G4-F6 PolarHBondContact O-N 3.09Å; F6-P9 WeakPolarHBondContact O-CD 3.39Å; F6-Y10 HydrophobicContact CD1-CD2 4.48Å; F6-Y10 HydrophobicContact CD1-CE2 4Å; F6-Y10 HydrophobicContact CE1-CD2 4.42Å; F6-Y10 AromaticContact CE1-CE2 3.62Å; F6-Y10 HydrophobicContact CE1-CE2 3.62Å; F6-Y10 HydrophobicContact CZ-CE2 4.02Å; F6-Y10 WeakPolarHBondContact O-CD2 3.44Å; F6-Y10 WeakPolarHBondContact O-CE2 3.32Å; F6-F325 HydrophobicContact CB-CE1 4.44Å; F6-F325 HydrophobicContact CD1-CD1 4.33Å; F6-F325 AromaticContact CD1-CE1 3.68Å; F6-F325 HydrophobicContact CD1-CE1 3.68Å; F6-F325 HydrophobicContact CE1-CE1 4.34Å; F6-F325 HydrophobicContact CG-CE1 4.37Å
7L66.8Low67.4Low8 Ų893.5 Ų93.54%0.04249%0.485CS..Hα-helixtrans-81.4-29.6-178.1-68.3171.9000113.7G4 R5 P9 Y10 L11 V139 M321 F325G4-L7 PolarHBondContact O-N 3.39Å; R5-L7 VanDerWaalsContact C-N 3.3Å; R5-L7 PolarHBondContact O-N 3.08Å; L7-P9 VanDerWaalsContact C-CD 3.43Å; L7-P9 VanDerWaalsContact C-N 3.3Å; L7-Y10 WeakPolarHBondContact O-CA 3.46Å; L7-Y10 WeakPolarHBondContact O-CB 3.38Å; L7-Y10 PolarHBondContact O-N 3.49Å; L7-L11 HydrophobicContact CB-CD1 3.87Å; L7-L11 HydrophobicContact CB-CG 4.3Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3Å; L7-V139 HydrophobicContact CD1-CG1 4.25Å; L7-V139 HydrophobicContact CD1-CG2 4.09Å; L7-V139 HydrophobicContact CD2-CG1 4.2Å; L7-V139 HydrophobicContact CD2-CG2 3.94Å; L7-M321 HydrophobicContact CD1-SD 4.06Å; L7-F325 HydrophobicContact CD1-CE2 4.37Å; L7-F325 HydrophobicContact CD1-CZ 3.74Å; L7-F325 HydrophobicContact CD2-CE1 4.09Å; L7-F325 HydrophobicContact CD2-CZ 3.78Å; L7-F325 HydrophobicContact CG-CE1 4.24Å; L7-F325 HydrophobicContact CG-CZ 3.61Å
8I70.8Confident68.4Low107 Ų10794.1 Ų94.155%0.54949%0.489SS..Hα-helixtrans-50.3-44.7-174.8-64169.7000112.5G4 Y10 L11 W12G4-I8 WeakPolarHBondContact O-CG1 3.18Å; I8-Y10 VanDerWaalsContact C-N 3.29Å; I8-Y10 PolarHBondContact O-N 3.31Å; I8-L11 PolarHBondContact O-N 3.38Å; I8-W12 PolarHBondContact O-N 3.4Å
9P70.8Confident69.2Low81 Ų8190.8 Ų90.853%0.52647%0.471SS..Hα-helixtrans-63.1-28.9176.5-22.734.2000114.9R5 F6 L7R5-P9 WeakPolarHBondContact O-CD 3.29Å; F6-P9 WeakPolarHBondContact O-CD 3.39Å; L7-P9 VanDerWaalsContact C-CD 3.43Å; L7-P9 VanDerWaalsContact C-N 3.3Å
10Y68.4Low70.1Confident65 Ų6588.8 Ų88.826%0.25546%0.459SS..Hα-helixtrans-84.2-27.2179.6-63.4-82.4000112.5F6 L7 I8 S100 R103 I104 A107F6-Y10 HydrophobicContact CD1-CD2 4.48Å; F6-Y10 HydrophobicContact CD1-CE2 4Å; F6-Y10 HydrophobicContact CE1-CD2 4.42Å; F6-Y10 AromaticContact CE1-CE2 3.62Å; F6-Y10 HydrophobicContact CE1-CE2 3.62Å; F6-Y10 HydrophobicContact CZ-CE2 4.02Å; F6-Y10 WeakPolarHBondContact O-CD2 3.44Å; F6-Y10 WeakPolarHBondContact O-CE2 3.32Å; L7-Y10 WeakPolarHBondContact O-CA 3.46Å; L7-Y10 WeakPolarHBondContact O-CB 3.38Å; L7-Y10 PolarHBondContact O-N 3.49Å; I8-Y10 VanDerWaalsContact C-N 3.29Å; I8-Y10 PolarHBondContact O-N 3.31Å; Y10-S100 PolarHBondContact O-OG 3.23Å; Y10-S100 VanDerWaalsContact O-OG 3.1Å; Y10-R103 HydrophobicContact CD1-CB 4.31Å; Y10-I104 HydrophobicContact CD1-CG1 4.28Å; Y10-I104 HydrophobicContact CG-CG1 4.17Å; Y10-A107 HydrophobicContact CE1-CB 4.04Å
11L69.9Low70.9Confident29 Ų2990.2 Ų90.215%0.15247%0.467CS..Hα-helixtrans-83.5-36.6179.8-62.8174.2000112.2L7 I8 P13 V139 L143L7-L11 HydrophobicContact CB-CD1 3.87Å; L7-L11 HydrophobicContact CB-CG 4.3Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3Å; I8-L11 PolarHBondContact O-N 3.38Å; L11-P13 WeakPolarHBondContact O-CD 3.43Å; L11-V139 HydrophobicContact CD2-CG1 3.74Å; L11-L143 HydrophobicContact CB-CD1 4.35Å; L11-L143 HydrophobicContact CD1-CD1 3.62Å; L11-L143 HydrophobicContact CD1-CD2 3.89Å; L11-L143 HydrophobicContact CD1-CG 4.12Å; L11-L143 HydrophobicContact CD2-CD1 3.18Å; L11-L143 HydrophobicContact CD2-CG 4.34Å; L11-L143 HydrophobicContact CG-CD1 3.82Å
12W77.1Confident72.9Confident104 Ų10480.3 Ų80.339%0.39442%0.42SS..SBendtrans-76.1125172.1-175.1-107.9000109.7I8 A14 Q20 F23 R103I8-W12 PolarHBondContact O-N 3.4Å; W12-A14 PolarHBondContact O-N 3.24Å; W12-Q20 HydrophobicContact CZ2-CG 4.02Å; W12-F23 HydrophobicContact CE3-CD1 4.16Å; W12-F23 HydrophobicContact CE3-CE1 4.15Å; W12-F23 AromaticContact CZ3-CD1 3.61Å; W12-F23 HydrophobicContact CZ3-CD1 3.61Å; W12-F23 AromaticContact CZ3-CE1 3.73Å; W12-F23 HydrophobicContact CZ3-CE1 3.73Å; W12-R103 PolarHBondContact O-NH1 3Å
13P72.1Confident74.7Confident1 Ų176.5 Ų76.51%0.00639%0.393CS..  trans-75.560.6179.131.2-34.7000111.7L11 G15 N16 M19 Q20 L99L11-P13 WeakPolarHBondContact O-CD 3.43Å; P13-G15 PolarHBondContact O-N 3.35Å; P13-N16 PolarHBondContact O-N 3.42Å; P13-M19 HydrophobicContact CB-CB 3.56Å; P13-M19 HydrophobicContact CG-CB 3.89Å; P13-Q20 HydrophobicContact CG-CG 3.93Å; P13-L99 HydrophobicContact CB-CD2 3.78Å
14A71.6Confident76.1Confident52 Ų5275.9 Ų75.943%0.4339%0.394SS..THydrogen-bonded Turntrans-53.5131.5174.600000110.2W12 R103W12-A14 PolarHBondContact O-N 3.24Å; A14-R103 PolarHBondContact O-NH2 3.4Å
15G75Confident77.6Confident86 Ų8675.1 Ų75.189%0.88739%0.386SS*.THydrogen-bonded Turntrans90.7-11.717800000116.3P13P13-G15 PolarHBondContact O-N 3.35Å
16N81.8Confident78.8Confident64 Ų6465.4 Ų65.434%0.34235%0.349SS..  trans-122.198.5177-170-19.9000111.5P13 L18 M19 Q20P13-N16 PolarHBondContact O-N 3.42Å; N16-L18 VanDerWaalsContact C-N 3.26Å; N16-L18 PolarHBondContact O-N 2.99Å; N16-L18 PolarHBondContact OD1-N 3.02Å; N16-M19 HydrophobicContact CB-CB 4.14Å; N16-M19 HydrophobicContact CB-CG 4.1Å; N16-M19 WeakPolarHBondContact ND2-CG 3.34Å; N16-M19 PolarHBondContact O-N 3.29Å; N16-M19 VanDerWaalsContact O-N 3.09Å; N16-Q20 PolarHBondContact O-N 3.16Å
17R83.9Confident79.7Confident210 Ų21064.6 Ų64.679%0.79235%0.348SS*.Hα-helixtrans-56.7-37-178.3-70.7-174177.7177.1-0.1112.9M19 Q20 L21R17-M19 VanDerWaalsContact C-N 3.29Å; R17-M19 PolarHBondContact O-N 3.45Å; R17-Q20 PolarHBondContact O-N 3.26Å; R17-L21 WeakPolarHBondContact O-CG 3.49Å; R17-L21 PolarHBondContact O-N 3.09Å
18L85.1Confident80.8Confident104 Ų10468 Ų6855%0.54537%0.37SS..Hα-helixtrans-66.4-34.4-179.6-167.4143.3000111.8N16 S22N16-L18 VanDerWaalsContact C-N 3.26Å; N16-L18 PolarHBondContact O-N 2.99Å; N16-L18 PolarHBondContact OD1-N 3.02Å; L18-S22 PolarHBondContact O-N 2.97Å; L18-S22 PolarHBondContact O-OG 3.34Å
19M84.2Confident81.6Confident32 Ų3264.3 Ų64.316%0.15835%0.351CS..Hα-helixtrans-77.7-33.9177-64.8-67.3158.800111.9P13 N16 R17 S22 F23 K95 L99P13-M19 HydrophobicContact CB-CB 3.56Å; P13-M19 HydrophobicContact CG-CB 3.89Å; N16-M19 HydrophobicContact CB-CB 4.14Å; N16-M19 HydrophobicContact CB-CG 4.1Å; N16-M19 WeakPolarHBondContact ND2-CG 3.34Å; N16-M19 PolarHBondContact O-N 3.29Å; N16-M19 VanDerWaalsContact O-N 3.09Å; R17-M19 VanDerWaalsContact C-N 3.29Å; R17-M19 PolarHBondContact O-N 3.45Å; M19-S22 PolarHBondContact O-N 3.4Å; M19-F23 WeakPolarHBondContact O-CB 3.29Å; M19-F23 PolarHBondContact O-N 2.9Å; M19-K95 HydrophobicContact CE-CB 4.34Å; M19-K95 HydrophobicContact SD-CB 4.12Å; M19-L99 HydrophobicContact CB-CD2 4.14Å; M19-L99 HydrophobicContact CG-CD2 3.89Å
20Q86.2Confident82.3Confident50 Ų5061.8 Ų61.823%0.23433%0.333CS..Hα-helixtrans-62.7-44.1170-68.2175.3-19.100111.2W12 P13 N16 R17 S22 F23 L24W12-Q20 HydrophobicContact CZ2-CG 4.02Å; P13-Q20 HydrophobicContact CG-CG 3.93Å; N16-Q20 PolarHBondContact O-N 3.16Å; R17-Q20 PolarHBondContact O-N 3.26Å; Q20-S22 VanDerWaalsContact C-N 3.33Å; Q20-S22 PolarHBondContact O-N 2.94Å; Q20-F23 PolarHBondContact O-N 3.38Å; Q20-L24 WeakPolarHBondContact O-CG 3.19Å; Q20-L24 PolarHBondContact O-N 3.44Å
21L87.9Confident83.2Confident118 Ų11863.9 Ų63.962%0.61835%0.347SS*.Hα-helixtrans-62.4-39.9173.6-72.9171.5000112R17 L24 G25R17-L21 WeakPolarHBondContact O-CG 3.49Å; R17-L21 PolarHBondContact O-N 3.09Å; L21-L24 PolarHBondContact O-N 3.34Å; L21-G25 PolarHBondContact O-N 2.86Å
22S86.5Confident84Confident16 Ų1665.7 Ų65.711%0.11236%0.356CS..Hα-helixtrans-63.6-42.7175.6-590000111.5L18 M19 Q20 G25 V26L18-S22 PolarHBondContact O-N 2.97Å; L18-S22 PolarHBondContact O-OG 3.34Å; M19-S22 PolarHBondContact O-N 3.4Å; Q20-S22 VanDerWaalsContact C-N 3.33Å; Q20-S22 PolarHBondContact O-N 2.94Å; S22-G25 PolarHBondContact O-N 3.03Å; S22-V26 VanDerWaalsContact O-CG2 3.29Å; S22-V26 WeakPolarHBondContact O-CG2 3.39Å; S22-V26 PolarHBondContact O-N 3Å
23F86.3Confident84.4Confident48 Ų4861.1 Ų61.121%0.21134%0.341CS..Hα-helixtrans-63.6-44.9175.9-178.3-96.4000112.2W12 M19 Q20 V26 L27 W93 V96W12-F23 HydrophobicContact CE3-CD1 4.16Å; W12-F23 HydrophobicContact CE3-CE1 4.15Å; W12-F23 AromaticContact CZ3-CD1 3.61Å; W12-F23 HydrophobicContact CZ3-CD1 3.61Å; W12-F23 AromaticContact CZ3-CE1 3.73Å; W12-F23 HydrophobicContact CZ3-CE1 3.73Å; M19-F23 WeakPolarHBondContact O-CB 3.29Å; M19-F23 PolarHBondContact O-N 2.9Å; Q20-F23 PolarHBondContact O-N 3.38Å; F23-V26 WeakPolarHBondContact O-CB 3.42Å; F23-V26 PolarHBondContact O-N 3.49Å; F23-L27 HydrophobicContact CD1-CD1 4.15Å; F23-L27 HydrophobicContact CE1-CD1 3.67Å; F23-L27 HydrophobicContact CE1-CG 4.37Å; F23-L27 HydrophobicContact CZ-CD1 4.28Å; F23-L27 PolarHBondContact O-N 3.15Å; F23-L27 VanDerWaalsContact O-N 3.15Å; F23-W93 HydrophobicContact CD2-CZ3 4.09Å; F23-W93 HydrophobicContact CE2-CZ3 4.03Å; F23-V96 HydrophobicContact CB-CG2 4.32Å; F23-V96 HydrophobicContact CD2-CG1 4.16Å
24L87.2Confident85Confident86 Ų8664.1 Ų64.145%0.4535%0.353SS..Hα-helixtrans-63-42.5173.9-71171.7000111.4Q20 L21 V26 L27 V28Q20-L24 WeakPolarHBondContact O-CG 3.19Å; Q20-L24 PolarHBondContact O-N 3.44Å; L21-L24 PolarHBondContact O-N 3.34Å; L24-V26 VanDerWaalsContact C-N 3.29Å; L24-V26 PolarHBondContact O-N 2.87Å; L24-L27 PolarHBondContact O-N 3.29Å; L24-L27 VanDerWaalsContact O-N 3.15Å; L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 2.79Å
25G88.8Confident85.6Confident23 Ų2366.2 Ų66.224%0.23736%0.36CS..Hα-helixtrans-58.9-39.4175.300000112.4L21 S22 V28 L29L21-G25 PolarHBondContact O-N 2.86Å; S22-G25 PolarHBondContact O-N 3.03Å; G25-V28 PolarHBondContact O-N 2.92Å; G25-L29 WeakPolarHBondContact O-CB 3.25Å; G25-L29 VanDerWaalsContact O-CG 3.22Å; G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.29Å
26V87.9Confident86Confident1 Ų165.2 Ų65.21%0.00633%0.331CS..Hα-helixtrans-62.9-42.9174.3164.60000112S22 F23 L24 L30 R89 L92 W93 F148S22-V26 VanDerWaalsContact O-CG2 3.29Å; S22-V26 WeakPolarHBondContact O-CG2 3.39Å; S22-V26 PolarHBondContact O-N 3Å; F23-V26 WeakPolarHBondContact O-CB 3.42Å; F23-V26 PolarHBondContact O-N 3.49Å; L24-V26 VanDerWaalsContact C-N 3.29Å; L24-V26 PolarHBondContact O-N 2.87Å; V26-L30 WeakPolarHBondContact O-CB 3.47Å; V26-L30 PolarHBondContact O-N 3.08Å; V26-R89 HydrophobicContact CB-CG 4.44Å; V26-R89 HydrophobicContact CG1-CG 3.89Å; V26-R89 HydrophobicContact CG2-CG 4.43Å; V26-L92 HydrophobicContact CG2-CB 3.48Å; V26-L92 VanDerWaalsContact CG2-CB 3.48Å; V26-L92 HydrophobicContact CG2-CD1 4.43Å; V26-W93 HydrophobicContact CG1-CE3 4.24Å; V26-W93 HydrophobicContact CG2-CB 4.38Å; V26-F148 HydrophobicContact CG1-CE1 3.42Å; V26-F148 VanDerWaalsContact CG1-CE1 3.42Å; V26-F148 HydrophobicContact CG1-CZ 3.41Å; V26-F148 VanDerWaalsContact CG1-CZ 3.41Å
27L86.3Confident85.9Confident71 Ų7162.4 Ų62.437%0.37232%0.317SS..Hα-helixtrans-65.5-42175.8-69.3174.4000111.9F23 L24 L30 I31F23-L27 HydrophobicContact CD1-CD1 4.15Å; F23-L27 HydrophobicContact CE1-CD1 3.67Å; F23-L27 HydrophobicContact CE1-CG 4.37Å; F23-L27 HydrophobicContact CZ-CD1 4.28Å; F23-L27 PolarHBondContact O-N 3.15Å; F23-L27 VanDerWaalsContact O-N 3.15Å; L24-L27 PolarHBondContact O-N 3.29Å; L24-L27 VanDerWaalsContact O-N 3.15Å; L27-L30 WeakPolarHBondContact O-CB 3.39Å; L27-L30 PolarHBondContact O-N 3.47Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.27Å; L27-I31 VanDerWaalsContact O-N 3.11Å
28V88.9Confident85.8Confident81 Ų8153.8 Ų53.849%0.49129%0.287SS..Hα-helixtrans-63.5-47.1176.8171.10000110.8L24 G25 L30 I31 I32L24-V28 WeakPolarHBondContact O-CG2 3.45Å; L24-V28 PolarHBondContact O-N 2.79Å; G25-V28 PolarHBondContact O-N 2.92Å; V28-L30 VanDerWaalsContact C-N 3.27Å; V28-L30 PolarHBondContact O-N 2.9Å; V28-I31 PolarHBondContact O-N 2.87Å; V28-I32 HydrophobicContact CG1-CD1 3.62Å; V28-I32 HydrophobicContact CG1-CG1 4.29Å; V28-I32 VanDerWaalsContact O-CG1 3.3Å; V28-I32 WeakPolarHBondContact O-CG1 3.33Å; V28-I32 PolarHBondContact O-N 3.22Å
29L88.5Confident85.6Confident29 Ų2950.3 Ų50.315%0.15227%0.272CS..Hα-helixtrans-62.4-33.8176.8-72.8170.5000112.7G25 G33 L85 V88 R89 L92G25-L29 WeakPolarHBondContact O-CB 3.25Å; G25-L29 VanDerWaalsContact O-CG 3.22Å; G25-L29 WeakPolarHBondContact O-CG 3.38Å; G25-L29 PolarHBondContact O-N 3.29Å; L29-G33 PolarHBondContact O-N 2.71Å; L29-L85 HydrophobicContact CD2-CD2 3.69Å; L29-V88 HydrophobicContact CD1-CB 4.47Å; L29-V88 HydrophobicContact CD1-CG1 3.84Å; L29-R89 HydrophobicContact CB-CB 4.26Å; L29-R89 HydrophobicContact CB-CG 4.5Å; L29-R89 HydrophobicContact CD1-CB 4.28Å; L29-L92 HydrophobicContact CD1-CD1 3.68Å
30L85.7Confident85.3Confident27 Ų2749 Ų4914%0.14127%0.266CS..Hα-helixtrans-62.1-49.1173.8-175.2165.2000110.7V26 L27 V28 G33 R34 A147 F148 P152V26-L30 WeakPolarHBondContact O-CB 3.47Å; V26-L30 PolarHBondContact O-N 3.08Å; L27-L30 WeakPolarHBondContact O-CB 3.39Å; L27-L30 PolarHBondContact O-N 3.47Å; V28-L30 VanDerWaalsContact C-N 3.27Å; V28-L30 PolarHBondContact O-N 2.9Å; L30-G33 PolarHBondContact O-N 3.48Å; L30-R34 HydrophobicContact CD2-CG 4.34Å; L30-R34 WeakPolarHBondContact O-CG 3.42Å; L30-R34 PolarHBondContact O-N 3.41Å; L30-R34 VanDerWaalsContact O-N 3.15Å; L30-A147 VanDerWaalsContact CD1-O 3.31Å; L30-A147 WeakPolarHBondContact CD1-O 3.3Å; L30-F148 HydrophobicContact CD1-CD1 3.66Å; L30-F148 HydrophobicContact CD1-CE1 4.04Å; L30-P152 HydrophobicContact CD1-CG 4.16Å; L30-P152 HydrophobicContact CD2-CG 4.16Å; L30-P152 HydrophobicContact CG-CG 4.42Å
31I86.5Confident85Confident110 Ų11046.8 Ų46.856%0.56426%0.256SS*.Hα-helixtrans-62.4-48.7178.7-64.7166.8000110.3L27 V28 G33 R34 V35L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 3.27Å; L27-I31 VanDerWaalsContact O-N 3.11Å; V28-I31 PolarHBondContact O-N 2.87Å; I31-G33 VanDerWaalsContact C-N 3.33Å; I31-G33 PolarHBondContact O-N 2.78Å; I31-R34 PolarHBondContact O-N 3.18Å; I31-R34 VanDerWaalsContact O-N 3.17Å; I31-V35 WeakPolarHBondContact O-CG2 3.32Å; I31-V35 PolarHBondContact O-N 2.89Å
32I87.3Confident84.6Confident66 Ų6643.5 Ų43.534%0.33824%0.239SC..Hα-helixtrans-57.7-46.7178.1-67.6171.3000110.6V28 R34 V35 F36 L85V28-I32 HydrophobicContact CG1-CD1 3.62Å; V28-I32 HydrophobicContact CG1-CG1 4.29Å; V28-I32 VanDerWaalsContact O-CG1 3.3Å; V28-I32 WeakPolarHBondContact O-CG1 3.33Å; V28-I32 PolarHBondContact O-N 3.22Å; I32-R34 VanDerWaalsContact C-N 3.26Å; I32-R34 PolarHBondContact O-N 3.01Å; I32-V35 WeakPolarHBondContact O-CB 3.31Å; I32-V35 PolarHBondContact O-N 3.49Å; I32-V35 VanDerWaalsContact O-N 3.15Å; I32-F36 HydrophobicContact CG2-CD2 3.63Å; I32-F36 HydrophobicContact CG2-CE2 3.53Å; I32-F36 VanDerWaalsContact O-CD2 3.29Å; I32-F36 WeakPolarHBondContact O-CD2 3.24Å; I32-F36 PolarHBondContact O-N 3.08Å; I32-L85 HydrophobicContact CG2-CD1 3.85Å
33G85.3Confident84.1Confident8 Ų844.8 Ų44.88%0.08224%0.244CC..Hα-helixtrans-58.9-35.8179.100000113.4L29 L30 I31 A37 S81L29-G33 PolarHBondContact O-N 2.71Å; L30-G33 PolarHBondContact O-N 3.48Å; I31-G33 VanDerWaalsContact C-N 3.33Å; I31-G33 PolarHBondContact O-N 2.78Å; G33-A37 WeakPolarHBondContact O-CB 3.35Å; G33-A37 PolarHBondContact O-N 3.16Å; G33-S81 PolarHBondContact O-OG 3.2Å
34R83.6Confident83.4Confident65 Ų6543 Ų4325%0.24524%0.238CC..Hα-helixtrans-73.8-37.7176.4-62.9-66.3162.1-179.80.3112.5L30 I31 I32 F36 A37 V38 P152 D156L30-R34 HydrophobicContact CD2-CG 4.34Å; L30-R34 WeakPolarHBondContact O-CG 3.42Å; L30-R34 PolarHBondContact O-N 3.41Å; L30-R34 VanDerWaalsContact O-N 3.15Å; I31-R34 PolarHBondContact O-N 3.18Å; I31-R34 VanDerWaalsContact O-N 3.17Å; I32-R34 VanDerWaalsContact C-N 3.26Å; I32-R34 PolarHBondContact O-N 3.01Å; R34-F36 VanDerWaalsContact C-N 3.31Å; R34-F36 PolarHBondContact O-N 2.95Å; R34-A37 WeakPolarHBondContact O-CB 3.41Å; R34-A37 PolarHBondContact O-N 3.39Å; R34-A37 VanDerWaalsContact O-N 3.14Å; R34-V38 WeakPolarHBondContact O-CG2 2.99Å; R34-V38 PolarHBondContact O-N 2.77Å; R34-P152 VanDerWaalsContact CZ-CB 3.47Å; R34-D156 WeakPolarHBondContact CD-OD1 3.14Å; R34-D156 IonicContact CZ-OD2 3.22Å; R34-D156 IonicContact NE-OD2 3.47Å; R34-D156 IonicContact NH1-OD2 2.79Å; R34-D156 PolarHBondContact NH1-OD2 3.43Å
35V84.5Confident82.8Confident95 Ų9542 Ų4258%0.57623%0.228SC*.Hα-helixtrans-58.2-46.4171.6174.60000110.3I31 I32 A37 V38 S39I31-V35 WeakPolarHBondContact O-CG2 3.32Å; I31-V35 PolarHBondContact O-N 2.89Å; I32-V35 WeakPolarHBondContact O-CB 3.31Å; I32-V35 PolarHBondContact O-N 3.49Å; I32-V35 VanDerWaalsContact O-N 3.15Å; V35-A37 VanDerWaalsContact C-N 3.31Å; V35-A37 PolarHBondContact O-N 2.79Å; V35-V38 PolarHBondContact O-N 2.81Å; V35-S39 PolarHBondContact O-N 3.37Å; V35-S39 PolarHBondContact O-OG 2.99Å
36F83.7Confident81.9Confident65 Ų6547.4 Ų47.429%0.28524%0.241SC..Hα-helixtrans-64.3-33.9175.4-81.5-76000113.3I32 R34 S39 S40 D77 V80 L85I32-F36 HydrophobicContact CG2-CD2 3.63Å; I32-F36 HydrophobicContact CG2-CE2 3.53Å; I32-F36 VanDerWaalsContact O-CD2 3.29Å; I32-F36 WeakPolarHBondContact O-CD2 3.24Å; I32-F36 PolarHBondContact O-N 3.08Å; R34-F36 VanDerWaalsContact C-N 3.31Å; R34-F36 PolarHBondContact O-N 2.95Å; F36-S39 VanDerWaalsContact CA-OG 3.26Å; F36-S39 WeakPolarHBondContact CA-OG 2.97Å; F36-S39 PolarHBondContact O-N 3.49Å; F36-S39 PolarHBondContact O-OG 2.93Å; F36-S40 WeakPolarHBondContact O-CB 3.49Å; F36-S40 PolarHBondContact O-N 3.47Å; F36-S40 PolarHBondContact O-OG 2.98Å; F36-D77 HydrophobicContact CD1-CB 4.44Å; F36-D77 WeakPolarHBondContact CD1-OD1 3.29Å; F36-V80 HydrophobicContact CD1-CG1 4.31Å; F36-V80 HydrophobicContact CD2-CG1 4.1Å; F36-V80 HydrophobicContact CE1-CG1 4.32Å; F36-V80 HydrophobicContact CE2-CG1 4.13Å; F36-V80 HydrophobicContact CG-CG1 4.21Å; F36-V80 HydrophobicContact CZ-CG1 4.24Å; F36-L85 HydrophobicContact CD2-CD1 3.77Å; F36-L85 HydrophobicContact CE2-CD1 4.26Å
37A79.3Confident81Confident6 Ų649.7 Ų49.75%0.0525%0.251CS..Hα-helixtrans-67.1-38.2176.800000111.7G33 R34 V35 S40 V41 S81 Q299G33-A37 WeakPolarHBondContact O-CB 3.35Å; G33-A37 PolarHBondContact O-N 3.16Å; R34-A37 WeakPolarHBondContact O-CB 3.41Å; R34-A37 PolarHBondContact O-N 3.39Å; R34-A37 VanDerWaalsContact O-N 3.14Å; V35-A37 VanDerWaalsContact C-N 3.31Å; V35-A37 PolarHBondContact O-N 2.79Å; A37-S40 PolarHBondContact O-OG 3.05Å; A37-V41 WeakPolarHBondContact O-CG2 3.23Å; A37-S81 WeakPolarHBondContact CB-OG 3.22Å; A37-S81 PolarHBondContact N-OG 2.99Å; A37-Q299 PolarHBondContact O-NE2 3.35Å
38V82Confident80.2Confident28 Ų2848.6 Ų48.617%0.1724%0.244CC..Hα-helixtrans-73.3-40.5175176.50000110.4R34 V35 S40 V41 L42 I159R34-V38 WeakPolarHBondContact O-CG2 2.99Å; R34-V38 PolarHBondContact O-N 2.77Å; V35-V38 PolarHBondContact O-N 2.81Å; V38-S40 PolarHBondContact O-N 2.78Å; V38-V41 PolarHBondContact O-N 2.87Å; V38-L42 HydrophobicContact CG1-CD1 4.18Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.5Å; V38-L42 VanDerWaalsContact O-N 3.15Å; V38-I159 HydrophobicContact CG2-CG2 4.2Å
39S81.4Confident79.2Confident31 Ų3147.5 Ų47.522%0.21723%0.233CC..Hα-helixtrans-64.2-39.8178.869.40000112.5V35 F36 V41 L42 L43 D77V35-S39 PolarHBondContact O-N 3.37Å; V35-S39 PolarHBondContact O-OG 2.99Å; F36-S39 VanDerWaalsContact CA-OG 3.26Å; F36-S39 WeakPolarHBondContact CA-OG 2.97Å; F36-S39 PolarHBondContact O-N 3.49Å; F36-S39 PolarHBondContact O-OG 2.93Å; S39-V41 PolarHBondContact O-N 2.9Å; S39-L42 PolarHBondContact O-N 2.99Å; S39-L42 VanDerWaalsContact O-N 3.11Å; S39-L43 WeakPolarHBondContact O-CG 3.49Å; S39-L43 PolarHBondContact O-N 3.47Å; S39-D77 PolarHBondContact OG-OD2 3.09Å
40S78Confident78.2Confident4 Ų447.5 Ų47.53%0.02824%0.236CC..Hα-helixtrans-58.8-38.6178.363.40000111.9F36 A37 V38 S44 F74F36-S40 WeakPolarHBondContact O-CB 3.49Å; F36-S40 PolarHBondContact O-N 3.47Å; F36-S40 PolarHBondContact O-OG 2.98Å; A37-S40 PolarHBondContact O-OG 3.05Å; V38-S40 PolarHBondContact O-N 2.78Å; S40-S44 PolarHBondContact O-N 2.98Å; S40-F74 WeakPolarHBondContact O-CD2 3.29Å; S40-F74 WeakPolarHBondContact O-CE2 3.48Å
41V78.6Confident77.1Confident4 Ų449.5 Ų49.52%0.02425%0.251CS..Hα-helixtrans-69.2-45.4176.8-179.10000110.4A37 V38 S39 L43 S44 L292 Y296 Q299A37-V41 WeakPolarHBondContact O-CG2 3.23Å; V38-V41 PolarHBondContact O-N 2.87Å; S39-V41 PolarHBondContact O-N 2.9Å; V41-L43 VanDerWaalsContact C-N 3.3Å; V41-L43 PolarHBondContact O-N 2.75Å; V41-S44 WeakPolarHBondContact O-CB 3.4Å; V41-S44 PolarHBondContact O-N 3.32Å; V41-S44 VanDerWaalsContact O-N 3.14Å; V41-S44 PolarHBondContact O-OG 3.17Å; V41-L292 HydrophobicContact CG1-CD1 3.51Å; V41-L292 WeakPolarHBondContact O-CD1 3.44Å; V41-Y296 HydrophobicContact CB-CD1 4.22Å; V41-Y296 HydrophobicContact CG1-CD1 3.39Å; V41-Y296 HydrophobicContact CG1-CE1 4.14Å; V41-Y296 HydrophobicContact CG1-CG 3.63Å; V41-Q299 HydrophobicContact CG2-CB 4.5Å; V41-Q299 VanDerWaalsContact CG2-CD 3.47Å
42L80Confident76.1Confident50 Ų5050.8 Ų50.826%0.26225%0.249SC..Hα-helixtrans-59.9-41.1177-65.2173.8000111.9V38 S39 S44 R45 Y163 L292V38-L42 HydrophobicContact CG1-CD1 4.18Å; V38-L42 WeakPolarHBondContact O-CG 3.48Å; V38-L42 PolarHBondContact O-N 3.5Å; V38-L42 VanDerWaalsContact O-N 3.15Å; S39-L42 PolarHBondContact O-N 2.99Å; S39-L42 VanDerWaalsContact O-N 3.11Å; L42-S44 PolarHBondContact O-N 2.87Å; L42-R45 VanDerWaalsContact O-CB 3.29Å; L42-R45 WeakPolarHBondContact O-CB 3.4Å; L42-R45 PolarHBondContact O-N 2.96Å; L42-R45 VanDerWaalsContact O-N 3.16Å; L42-Y163 HydrophobicContact CD2-CD2 4.47Å; L42-Y163 HydrophobicContact CD2-CE1 4.22Å; L42-Y163 HydrophobicContact CD2-CE2 3.52Å; L42-Y163 WeakPolarHBondContact CD2-OH 3.44Å; L42-L292 HydrophobicContact CD2-CD1 4.44Å
43L76.3Confident74.5Confident43 Ų4354.1 Ų54.123%0.22528%0.275CS..Hα-helixtrans-60-30177.4-75.6172.7000113.1S39 V41 R45 W46 F47 F74 D77S39-L43 WeakPolarHBondContact O-CG 3.49Å; S39-L43 PolarHBondContact O-N 3.47Å; V41-L43 VanDerWaalsContact C-N 3.3Å; V41-L43 PolarHBondContact O-N 2.75Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 2.9Å; L43-W46 PolarHBondContact O-N 3.17Å; L43-W46 VanDerWaalsContact O-N 3.15Å; L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 PolarHBondContact O-N 2.87Å; L43-F74 HydrophobicContact CB-CD2 4.41Å; L43-D77 HydrophobicContact CD1-CB 4.18Å; L43-D77 WeakPolarHBondContact CD1-OD2 3.14Å
44S72Confident73.1Confident11 Ų1156.4 Ų56.48%0.07729%0.287CS..Hα-helixtrans-60.3-38.6175.973.80000112.5S40 V41 L42 W46 F47 E48S40-S44 PolarHBondContact O-N 2.98Å; V41-S44 WeakPolarHBondContact O-CB 3.4Å; V41-S44 PolarHBondContact O-N 3.32Å; V41-S44 VanDerWaalsContact O-N 3.14Å; V41-S44 PolarHBondContact O-OG 3.17Å; L42-S44 PolarHBondContact O-N 2.87Å; S44-W46 PolarHBondContact O-N 2.83Å; S44-F47 PolarHBondContact O-N 2.85Å; S44-E48 PolarHBondContact O-N 2.89Å
45R73.4Confident71.6Confident65 Ų6558.4 Ų58.425%0.24531%0.311CS..Hα-helixtrans-60.7-45174.3-170.3-168.3-175.8-179.44.7111.4L42 L43 Q49 D289 L292L42-R45 VanDerWaalsContact O-CB 3.29Å; L42-R45 WeakPolarHBondContact O-CB 3.4Å; L42-R45 PolarHBondContact O-N 2.96Å; L42-R45 VanDerWaalsContact O-N 3.16Å; L43-R45 VanDerWaalsContact C-N 3.29Å; L43-R45 PolarHBondContact O-N 2.9Å; R45-Q49 WeakPolarHBondContact O-CG 3.15Å; R45-Q49 PolarHBondContact O-N 3Å; R45-D289 IonicContact CZ-OD1 3.16Å; R45-D289 IonicContact NE-OD1 2.9Å; R45-D289 PolarHBondContact NE-OD1 3.01Å; R45-D289 IonicContact NH2-OD1 3.19Å; R45-D289 PolarHBondContact NH2-OD1 3.41Å; R45-D289 IonicContact NH2-OD2 2.83Å; R45-L292 HydrophobicContact CB-CB 4.13Å; R45-L292 HydrophobicContact CB-CD1 4.26Å; R45-L292 HydrophobicContact CB-CD2 4.23Å; R45-L292 HydrophobicContact CB-CG 4.44Å; R45-L292 HydrophobicContact CG-CB 4.44Å; R45-L292 HydrophobicContact CG-CD2 4.28Å
46W70.7Confident69.8Low135 Ų13558.6 Ų58.651%0.51132%0.323SS..Hα-helixtrans-71.4-36.1-177.3-65.6102.6000112.6L43 S44 S50 R70L43-W46 PolarHBondContact O-N 3.17Å; L43-W46 VanDerWaalsContact O-N 3.15Å; S44-W46 PolarHBondContact O-N 2.83Å; W46-S50 PolarHBondContact O-N 2.76Å; W46-S50 PolarHBondContact O-OG 2.83Å; W46-R70 PolarHBondContact O-NH1 2.92Å
47F69.6Low68.6Low49 Ų4957.6 Ų57.622%0.21533%0.331CS..Hα-helixtrans-61.6-48.2175.3176-105.3000110.9L43 S44 Q49 S50 C51 F67 R70 W71L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 PolarHBondContact O-N 2.87Å; S44-F47 PolarHBondContact O-N 2.85Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 2.79Å; F47-S50 WeakPolarHBondContact O-CB 3.27Å; F47-S50 PolarHBondContact O-N 2.85Å; F47-S50 VanDerWaalsContact O-N 3.08Å; F47-C51 PolarHBondContact O-N 3.46Å; F47-C51 PolarHBondContact O-SG 3.31Å; F47-F67 HydrophobicContact CD2-CD2 4.38Å; F47-F67 HydrophobicContact CD2-CE2 4.19Å; F47-F67 HydrophobicContact CE1-CE2 4.31Å; F47-F67 AromaticContact CE2-CD2 3.65Å; F47-F67 HydrophobicContact CE2-CD2 3.65Å; F47-F67 HydrophobicContact CE2-CE1 4.27Å; F47-F67 AromaticContact CE2-CE2 3.15Å; F47-F67 HydrophobicContact CE2-CE2 3.15Å; F47-F67 HydrophobicContact CE2-CG 4.4Å; F47-F67 AromaticContact CE2-CZ 3.51Å; F47-F67 HydrophobicContact CE2-CZ 3.51Å; F47-F67 HydrophobicContact CZ-CD2 4.19Å; F47-F67 AromaticContact CZ-CE2 3.25Å; F47-F67 HydrophobicContact CZ-CE2 3.25Å; F47-F67 AromaticContact CZ-CZ 3.44Å; F47-F67 HydrophobicContact CZ-CZ 3.44Å; F47-F67 VanDerWaalsContact CZ-CZ 3.44Å; F47-R70 HydrophobicContact CD2-CB 4.41Å; F47-W71 HydrophobicContact CD2-CB 4.24Å; F47-W71 HydrophobicContact CE2-CB 3.74Å; F47-W71 AromaticContact CE2-CD1 3.79Å; F47-W71 HydrophobicContact CE2-CG 4.16Å; F47-W71 AromaticContact CZ-CD1 3.82Å
48E68.8Low67.5Low48 Ų4863.4 Ų63.422%0.22437%0.371CS..Hα-helixtrans-69.1-32.2-179.4-172.8167.5178.100113.4S44 S50 C51 V287 G288 V291S44-E48 PolarHBondContact O-N 2.89Å; E48-S50 PolarHBondContact O-N 2.98Å; E48-C51 WeakPolarHBondContact O-CB 3.38Å; E48-C51 PolarHBondContact O-N 3.18Å; E48-C51 VanDerWaalsContact O-N 3.07Å; E48-V287 WeakPolarHBondContact OE1-CG1 3.47Å; E48-G288 WeakPolarHBondContact OE2-CA 3.38Å; E48-V291 WeakPolarHBondContact OE2-CB 3.3Å; E48-V291 WeakPolarHBondContact OE2-CG2 3.48Å
49Q68.7Low66.9Low58 Ų5869.8 Ų69.827%0.27139%0.393SS..Hα-helixtrans-62.4-29.3172.2-74177.40.600112.5R45 F47 C51R45-Q49 WeakPolarHBondContact O-CG 3.15Å; R45-Q49 PolarHBondContact O-N 3Å; F47-Q49 VanDerWaalsContact C-N 3.34Å; F47-Q49 PolarHBondContact O-N 2.79Å; Q49-C51 VanDerWaalsContact C-N 3.34Å
50S66.5Low66.3Low30 Ų3076.1 Ų76.121%0.2141%0.414CS..Hα-helixtrans-73-22.5173.3-67.30000113.9W46 F47 E48 R52 R70W46-S50 PolarHBondContact O-N 2.76Å; W46-S50 PolarHBondContact O-OG 2.83Å; F47-S50 WeakPolarHBondContact O-CB 3.27Å; F47-S50 PolarHBondContact O-N 2.85Å; F47-S50 VanDerWaalsContact O-N 3.08Å; E48-S50 PolarHBondContact O-N 2.98Å; S50-R52 VanDerWaalsContact C-N 3.27Å; S50-R52 PolarHBondContact O-N 3.01Å; S50-R70 WeakPolarHBondContact OG-CD 3.31Å; S50-R70 PolarHBondContact OG-NE 2.89Å; S50-R70 PolarHBondContact OG-NH1 3.08Å
51C63.9Low66Low68 Ų6883 Ų8346%0.45944%0.443SS..THydrogen-bonded Turntrans-78.2-2.4-178.8-64.10000114.6F47 E48 Q49F47-C51 PolarHBondContact O-N 3.46Å; F47-C51 PolarHBondContact O-SG 3.31Å; E48-C51 WeakPolarHBondContact O-CB 3.38Å; E48-C51 PolarHBondContact O-N 3.18Å; E48-C51 VanDerWaalsContact O-N 3.07Å; Q49-C51 VanDerWaalsContact C-N 3.34Å
52R64Low65.7Low137 Ų13788.1 Ų88.152%0.51747%0.47SS..SBendtrans-63.4135.7-177.9-71.4-176.6177.4-172.80.7111.3S50 V54S50-R52 VanDerWaalsContact C-N 3.27Å; S50-R52 PolarHBondContact O-N 3.01Å; R52-V54 WeakPolarHBondContact O-CG2 3.5Å; R52-V54 PolarHBondContact O-N 2.88Å
53P55.2Low65.1Low136 Ų13692.4 Ų92.488%0.88348%0.483SS*.  trans-61.3128.4-179.324.5-32.2000110.2
54V54.3Low65.1Low56 Ų5694.9 Ų94.934%0.33950%0.496SS..  trans-106.5131.3180-168.50000107.6R52 A56R52-V54 WeakPolarHBondContact O-CG2 3.5Å; R52-V54 PolarHBondContact O-N 2.88Å; V54-A56 PolarHBondContact O-N 3.02Å
55S53.4Low65.4Low107 Ų10798.1 Ų98.175%0.74851%0.512SS*.  trans-47.8131.1169.349.90000110.6G57S55-G57 PolarHBondContact O-N 3.49Å; S55-G57 VanDerWaalsContact O-N 3.13Å
56A45.8Very low65.5Low100 Ų10097.9 Ų97.983%0.82652%0.516SS*.SBendtrans-50116.6-176.800000111.7V54V54-A56 PolarHBondContact O-N 3.02Å
57G58.9Low65.8Low44 Ų4494.8 Ų94.845%0.45451%0.506SS..  trans-168.7161.9-177.900000112.4S55 Y59S55-G57 PolarHBondContact O-N 3.49Å; S55-G57 VanDerWaalsContact O-N 3.13Å; G57-Y59 PolarHBondContact O-N 3.32Å
58S56.6Low66.3Low127 Ų12796.5 Ų96.589%0.88852%0.516SS*.THydrogen-bonded Turntrans-59.712.1-164.1-143.50000118.4
59Y68.2Low66.8Low162 Ų16296.8 Ų96.864%0.63552%0.524SS*.THydrogen-bonded Turntrans-112.115.6-175.2-62.4-73.8000114.4G57 F61 L62 R63G57-Y59 PolarHBondContact O-N 3.32Å; Y59-F61 VanDerWaalsContact C-N 3.33Å; Y59-F61 PolarHBondContact O-N 3.34Å; Y59-L62 HydrophobicContact CD1-CD1 4.15Å; Y59-L62 PolarHBondContact O-N 3.43Å; Y59-R63 PolarHBondContact O-N 2.74Å; Y59-R63 VanDerWaalsContact O-N 3.1Å
60Y69.5Low67.2Low165 Ų16597.5 Ų97.565%0.64752%0.524SS*.Hα-helixtrans-55.6-44-178.3-108.3-86000113R63 L64Y60-R63 PolarHBondContact O-N 2.99Å; Y60-L64 WeakPolarHBondContact O-CB 3.49Å; Y60-L64 PolarHBondContact O-N 3.34Å
61F72.7Confident67.7Low147 Ų147102 Ų10265%0.64554%0.537SS*.Hα-helixtrans-66.2-45.7-178.5-176.4-104.4000112.9Y59 R63 L64 L65Y59-F61 VanDerWaalsContact C-N 3.33Å; Y59-F61 PolarHBondContact O-N 3.34Å; F61-R63 VanDerWaalsContact C-N 3.32Å; F61-R63 PolarHBondContact O-N 3.44Å; F61-L64 PolarHBondContact O-N 3.18Å; F61-L65 HydrophobicContact CD1-CD1 3.85Å; F61-L65 HydrophobicContact CE1-CD1 3.39Å; F61-L65 HydrophobicContact CE1-CG 4.2Å; F61-L65 HydrophobicContact CZ-CD1 3.85Å; F61-L65 HydrophobicContact CZ-CG 4.27Å; F61-L65 PolarHBondContact O-N 3.2Å
62L71.2Confident68.6Low113 Ų113103.4 Ų103.459%0.59254%0.539SS*.Hα-helixtrans-64.3-36.2177.9-74.9172.2000112Y59 L65 D66Y59-L62 HydrophobicContact CD1-CD1 4.15Å; Y59-L62 PolarHBondContact O-N 3.43Å; L62-L65 PolarHBondContact O-N 3.13Å; L62-D66 PolarHBondContact O-N 3.14Å
63R67.9Low69.3Low140 Ų14099.3 Ų99.353%0.52853%0.532SS..Hα-helixtrans-73.8-32.8174.7-72-162.3-175.4-144.66.6113.2Y59 Y60 F61 L65 D66 F67Y59-R63 PolarHBondContact O-N 2.74Å; Y59-R63 VanDerWaalsContact O-N 3.1Å; Y60-R63 PolarHBondContact O-N 2.99Å; F61-R63 VanDerWaalsContact C-N 3.32Å; F61-R63 PolarHBondContact O-N 3.44Å; R63-L65 VanDerWaalsContact C-N 3.33Å; R63-D66 PolarHBondContact O-N 3.49Å; R63-F67 WeakPolarHBondContact O-CB 3.15Å; R63-F67 PolarHBondContact O-N 2.8Å
64L76.1Confident70.3Confident94 Ų9496.2 Ų96.249%0.49250%0.504SS..Hα-helixtrans-64.1-40.7172-169.6110.8000110.8Y60 F61 F67 L68Y60-L64 WeakPolarHBondContact O-CB 3.49Å; Y60-L64 PolarHBondContact O-N 3.34Å; F61-L64 PolarHBondContact O-N 3.18Å; L64-F67 PolarHBondContact O-N 3.22Å; L64-L68 HydrophobicContact CD2-CD1 3.86Å; L64-L68 HydrophobicContact CG-CD1 4.28Å; L64-L68 WeakPolarHBondContact O-CB 3.35Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.3Å; L64-L68 PolarHBondContact O-N 3.4Å
65L77.4Confident71.5Confident80 Ų8095.8 Ų95.842%0.41950%0.503SS..Hα-helixtrans-63.4-43.2173.2-75.8172000112.4F61 L62 R63 F67 L68 S69F61-L65 HydrophobicContact CD1-CD1 3.85Å; F61-L65 HydrophobicContact CE1-CD1 3.39Å; F61-L65 HydrophobicContact CE1-CG 4.2Å; F61-L65 HydrophobicContact CZ-CD1 3.85Å; F61-L65 HydrophobicContact CZ-CG 4.27Å; F61-L65 PolarHBondContact O-N 3.2Å; L62-L65 PolarHBondContact O-N 3.13Å; R63-L65 VanDerWaalsContact C-N 3.33Å; L65-F67 VanDerWaalsContact C-N 3.35Å; L65-L68 PolarHBondContact O-N 3.33Å; L65-S69 WeakPolarHBondContact O-CB 3.14Å; L65-S69 PolarHBondContact O-N 3.43Å; L65-S69 PolarHBondContact O-OG 3.45Å
66D75.3Confident72.8Confident60 Ų6094.8 Ų94.832%0.32149%0.489SS..Hα-helixtrans-65.6-36.2175.3-176.246.9000112.3L62 R63 S69 R70L62-D66 PolarHBondContact O-N 3.14Å; R63-D66 PolarHBondContact O-N 3.49Å; D66-S69 WeakPolarHBondContact CA-OG 3.45Å; D66-S69 PolarHBondContact O-OG 3.42Å; D66-R70 VanDerWaalsContact CG-NE 3.33Å; D66-R70 WeakPolarHBondContact O-CB 3.1Å; D66-R70 VanDerWaalsContact O-CG 3.22Å; D66-R70 WeakPolarHBondContact O-CG 3.14Å; D66-R70 PolarHBondContact O-N 3.06Å; D66-R70 VanDerWaalsContact O-N 3.13Å; D66-R70 IonicContact OD1-CZ 2.65Å; D66-R70 IonicContact OD1-NE 2.72Å; D66-R70 PolarHBondContact OD1-NE 3.07Å; D66-R70 IonicContact OD1-NH2 3.2Å; D66-R70 PolarHBondContact OD1-NH2 3.02Å; D66-R70 VanDerWaalsContact OD1-NH2 3.16Å; D66-R70 IonicContact OD2-CZ 3.21Å; D66-R70 IonicContact OD2-NE 2.66Å; D66-R70 PolarHBondContact OD2-NE 3.17Å; D66-R70 IonicContact OD2-NH2 2.87Å; D66-R70 PolarHBondContact OD2-NH2 3.46Å
67F77Confident74.3Confident70 Ų7091.2 Ų91.231%0.30746%0.456SS..Hα-helixtrans-65.2-49.8172.8173.8-91.8000111.6F47 R63 L64 L65 S69 R70 W71F47-F67 HydrophobicContact CD2-CD2 4.38Å; F47-F67 HydrophobicContact CD2-CE2 4.19Å; F47-F67 HydrophobicContact CE1-CE2 4.31Å; F47-F67 AromaticContact CE2-CD2 3.65Å; F47-F67 HydrophobicContact CE2-CD2 3.65Å; F47-F67 HydrophobicContact CE2-CE1 4.27Å; F47-F67 AromaticContact CE2-CE2 3.15Å; F47-F67 HydrophobicContact CE2-CE2 3.15Å; F47-F67 HydrophobicContact CE2-CG 4.4Å; F47-F67 AromaticContact CE2-CZ 3.51Å; F47-F67 HydrophobicContact CE2-CZ 3.51Å; F47-F67 HydrophobicContact CZ-CD2 4.19Å; F47-F67 AromaticContact CZ-CE2 3.25Å; F47-F67 HydrophobicContact CZ-CE2 3.25Å; F47-F67 AromaticContact CZ-CZ 3.44Å; F47-F67 HydrophobicContact CZ-CZ 3.44Å; F47-F67 VanDerWaalsContact CZ-CZ 3.44Å; R63-F67 WeakPolarHBondContact O-CB 3.15Å; R63-F67 PolarHBondContact O-N 2.8Å; L64-F67 PolarHBondContact O-N 3.22Å; L65-F67 VanDerWaalsContact C-N 3.35Å; F67-S69 VanDerWaalsContact C-N 3.34Å; F67-S69 PolarHBondContact O-N 2.88Å; F67-R70 PolarHBondContact O-N 3.31Å; F67-W71 WeakPolarHBondContact O-CB 3.48Å; F67-W71 PolarHBondContact O-N 3.45Å
68L81.5Confident75Confident84 Ų8494.8 Ų94.844%0.4446%0.461SS..Hα-helixtrans-62.7-40.1179.3-75.9171000111.6L64 L65 W71 L72L64-L68 HydrophobicContact CD2-CD1 3.86Å; L64-L68 HydrophobicContact CG-CD1 4.28Å; L64-L68 WeakPolarHBondContact O-CB 3.35Å; L64-L68 VanDerWaalsContact O-CG 3.31Å; L64-L68 WeakPolarHBondContact O-CG 3.3Å; L64-L68 PolarHBondContact O-N 3.4Å; L65-L68 PolarHBondContact O-N 3.33Å; L68-W71 PolarHBondContact O-N 2.75Å; L68-L72 VanDerWaalsContact O-CB 3.24Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 PolarHBondContact O-N 3.03Å
69S78.7Confident76.1Confident55 Ų5595.7 Ų95.739%0.38545%0.446SS..Hα-helixtrans-64.9-44.717869.30000111.5L65 D66 F67 L72 S73L65-S69 WeakPolarHBondContact O-CB 3.14Å; L65-S69 PolarHBondContact O-N 3.43Å; L65-S69 PolarHBondContact O-OG 3.45Å; D66-S69 WeakPolarHBondContact CA-OG 3.45Å; D66-S69 PolarHBondContact O-OG 3.42Å; F67-S69 VanDerWaalsContact C-N 3.34Å; F67-S69 PolarHBondContact O-N 2.88Å; S69-L72 PolarHBondContact O-N 3.22Å; S69-S73 WeakPolarHBondContact O-CB 3.38Å; S69-S73 PolarHBondContact O-N 3.27Å; S69-S73 PolarHBondContact O-OG 3.48Å; S69-S73 VanDerWaalsContact O-OG 3.1Å
70R76.8Confident76.6Confident73 Ų7389.4 Ų89.428%0.27542%0.424SS..Hα-helixtrans-67-39.4177.2-69.6174.6-163.8-148.82112.5W46 F47 S50 D66 F67 S73 F74W46-R70 PolarHBondContact O-NH1 2.92Å; F47-R70 HydrophobicContact CD2-CB 4.41Å; S50-R70 WeakPolarHBondContact OG-CD 3.31Å; S50-R70 PolarHBondContact OG-NE 2.89Å; S50-R70 PolarHBondContact OG-NH1 3.08Å; D66-R70 VanDerWaalsContact CG-NE 3.33Å; D66-R70 WeakPolarHBondContact O-CB 3.1Å; D66-R70 VanDerWaalsContact O-CG 3.22Å; D66-R70 WeakPolarHBondContact O-CG 3.14Å; D66-R70 PolarHBondContact O-N 3.06Å; D66-R70 VanDerWaalsContact O-N 3.13Å; D66-R70 IonicContact OD1-CZ 2.65Å; D66-R70 IonicContact OD1-NE 2.72Å; D66-R70 PolarHBondContact OD1-NE 3.07Å; D66-R70 IonicContact OD1-NH2 3.2Å; D66-R70 PolarHBondContact OD1-NH2 3.02Å; D66-R70 VanDerWaalsContact OD1-NH2 3.16Å; D66-R70 IonicContact OD2-CZ 3.21Å; D66-R70 IonicContact OD2-NE 2.66Å; D66-R70 PolarHBondContact OD2-NE 3.17Å; D66-R70 IonicContact OD2-NH2 2.87Å; D66-R70 PolarHBondContact OD2-NH2 3.46Å; F67-R70 PolarHBondContact O-N 3.31Å; R70-S73 PolarHBondContact O-N 3.37Å; R70-F74 WeakPolarHBondContact O-CB 3.4Å; R70-F74 PolarHBondContact O-N 2.83Å
71W77.5Confident76.8Confident125 Ų12582.3 Ų82.347%0.47340%0.398SS..Hα-helixtrans-62.4-45.6173.8-174.477000111.2F47 F67 L68 S73 F74 C75F47-W71 HydrophobicContact CD2-CB 4.24Å; F47-W71 HydrophobicContact CE2-CB 3.74Å; F47-W71 AromaticContact CE2-CD1 3.79Å; F47-W71 HydrophobicContact CE2-CG 4.16Å; F47-W71 AromaticContact CZ-CD1 3.82Å; F67-W71 WeakPolarHBondContact O-CB 3.48Å; F67-W71 PolarHBondContact O-N 3.45Å; L68-W71 PolarHBondContact O-N 2.75Å; W71-S73 PolarHBondContact O-N 2.98Å; W71-F74 PolarHBondContact O-N 2.85Å; W71-C75 PolarHBondContact O-N 2.91Å; W71-C75 PolarHBondContact O-SG 3.37Å; W71-C75 VanDerWaalsContact O-SG 3.37Å
72L82.6Confident76.6Confident97 Ų9777.4 Ų77.451%0.50839%0.389SS..Hα-helixtrans-61.9-43.9176.1-163.596.8000111L68 S69 F74 C75 L76L68-L72 VanDerWaalsContact O-CB 3.24Å; L68-L72 WeakPolarHBondContact O-CB 3.43Å; L68-L72 PolarHBondContact O-N 3.03Å; S69-L72 PolarHBondContact O-N 3.22Å; L72-F74 PolarHBondContact O-N 2.85Å; L72-C75 PolarHBondContact O-N 2.95Å; L72-L76 HydrophobicContact CD2-CD1 3.68Å; L72-L76 HydrophobicContact CG-CD1 3.87Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.48Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.02Å
73S78.3Confident76.8Confident51 Ų5173.3 Ų73.336%0.35738%0.375SS..Hα-helixtrans-60.3-43.1175-66.80000112.2S69 R70 W71 L76 D77S69-S73 WeakPolarHBondContact O-CB 3.38Å; S69-S73 PolarHBondContact O-N 3.27Å; S69-S73 PolarHBondContact O-OG 3.48Å; S69-S73 VanDerWaalsContact O-OG 3.1Å; R70-S73 PolarHBondContact O-N 3.37Å; W71-S73 PolarHBondContact O-N 2.98Å; S73-L76 PolarHBondContact O-N 2.97Å; S73-D77 WeakPolarHBondContact O-CB 3.45Å; S73-D77 PolarHBondContact O-N 3.36Å
74F76.2Confident77.6Confident70 Ų7070.5 Ų70.531%0.30737%0.37SS..Hα-helixtrans-61.7-46.9175.4175.1-98.9000112S40 L43 R70 W71 L72 H78S40-F74 WeakPolarHBondContact O-CD2 3.29Å; S40-F74 WeakPolarHBondContact O-CE2 3.48Å; L43-F74 HydrophobicContact CB-CD2 4.41Å; R70-F74 WeakPolarHBondContact O-CB 3.4Å; R70-F74 PolarHBondContact O-N 2.83Å; W71-F74 PolarHBondContact O-N 2.85Å; L72-F74 PolarHBondContact O-N 2.85Å; F74-H78 WeakPolarHBondContact O-CB 3.49Å; F74-H78 PolarHBondContact O-N 3.39Å
75C79.1Confident78.1Confident47 Ų4767 Ų6732%0.31835%0.352SS..Hα-helixtrans-63.4-42.5177-71.40000112.3W71 L72 Y79W71-C75 PolarHBondContact O-N 2.91Å; W71-C75 PolarHBondContact O-SG 3.37Å; W71-C75 VanDerWaalsContact O-SG 3.37Å; L72-C75 PolarHBondContact O-N 2.95Å; C75-Y79 VanDerWaalsContact O-CB 3.3Å; C75-Y79 WeakPolarHBondContact O-CB 3.18Å; C75-Y79 PolarHBondContact O-N 2.85Å
76L81Confident78.3Confident86 Ų8666 Ų6645%0.4535%0.347SS..Hα-helixtrans-65.8-46.8178.1-76.6168.4000111.3L72 S73 H78 Y79 V80L72-L76 HydrophobicContact CD2-CD1 3.68Å; L72-L76 HydrophobicContact CG-CD1 3.87Å; L72-L76 HydrophobicContact CG-CG 4.35Å; L72-L76 VanDerWaalsContact O-CB 3.26Å; L72-L76 WeakPolarHBondContact O-CB 3.48Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.02Å; S73-L76 PolarHBondContact O-N 2.97Å; L76-H78 VanDerWaalsContact C-N 3.31Å; L76-H78 PolarHBondContact O-N 3.49Å; L76-Y79 PolarHBondContact O-N 2.83Å; L76-V80 VanDerWaalsContact O-CB 3.27Å; L76-V80 WeakPolarHBondContact O-CB 3.21Å; L76-V80 WeakPolarHBondContact O-CG2 3.5Å; L76-V80 PolarHBondContact O-N 2.64Å
77D77.5Confident78.9Confident25 Ų2566.5 Ų66.513%0.13436%0.355CS..Hα-helixtrans-60.5-43.2178-88.117000111.1F36 S39 L43 S73 V80 S81F36-D77 HydrophobicContact CD1-CB 4.44Å; F36-D77 WeakPolarHBondContact CD1-OD1 3.29Å; S39-D77 PolarHBondContact OG-OD2 3.09Å; L43-D77 HydrophobicContact CD1-CB 4.18Å; L43-D77 WeakPolarHBondContact CD1-OD2 3.14Å; S73-D77 WeakPolarHBondContact O-CB 3.45Å; S73-D77 PolarHBondContact O-N 3.36Å; D77-V80 PolarHBondContact O-N 3.19Å; D77-S81 VanDerWaalsContact O-CB 3.23Å; D77-S81 WeakPolarHBondContact O-CB 3.4Å; D77-S81 PolarHBondContact O-N 3.37Å
78H74.5Confident79.4Confident119 Ų11966 Ų6655%0.55136%0.358SS*.Hα-helixtrans-64.5-43.5176.5-168.173.1000112.1F74 L76 G82F74-H78 WeakPolarHBondContact O-CB 3.49Å; F74-H78 PolarHBondContact O-N 3.39Å; L76-H78 VanDerWaalsContact C-N 3.31Å; L76-H78 PolarHBondContact O-N 3.49Å; H78-G82 WeakPolarHBondContact O-CA 3.24Å; H78-G82 PolarHBondContact O-N 3.13Å
79Y79.3Confident79.8Confident146 Ų14663.7 Ų63.757%0.57334%0.343SS*.Hα-helixtrans-64.8-42.5177177.7-102.2000112.6C75 L76 G83 L84C75-Y79 VanDerWaalsContact O-CB 3.3Å; C75-Y79 WeakPolarHBondContact O-CB 3.18Å; C75-Y79 PolarHBondContact O-N 2.85Å; L76-Y79 PolarHBondContact O-N 2.83Å; Y79-G83 WeakPolarHBondContact O-CA 3.46Å; Y79-G83 PolarHBondContact O-N 3.35Å; Y79-L84 HydrophobicContact CE1-CB 4.3Å; Y79-L84 HydrophobicContact CE1-CD1 4.39Å; Y79-L84 PolarHBondContact O-N 2.9Å; Y79-L84 VanDerWaalsContact O-N 3.08Å
80V79.4Confident80.2Confident30 Ų3063.9 Ų63.918%0.18234%0.344CS..Iπ-helixtrans-68.6-48.6-179.5169.50000110.6F36 L76 D77 L85F36-V80 HydrophobicContact CD1-CG1 4.31Å; F36-V80 HydrophobicContact CD2-CG1 4.1Å; F36-V80 HydrophobicContact CE1-CG1 4.32Å; F36-V80 HydrophobicContact CE2-CG1 4.13Å; F36-V80 HydrophobicContact CG-CG1 4.21Å; F36-V80 HydrophobicContact CZ-CG1 4.24Å; L76-V80 VanDerWaalsContact O-CB 3.27Å; L76-V80 WeakPolarHBondContact O-CB 3.21Å; L76-V80 WeakPolarHBondContact O-CG2 3.5Å; L76-V80 PolarHBondContact O-N 2.64Å; D77-V80 PolarHBondContact O-N 3.19Å; V80-L85 HydrophobicContact CG1-CD1 3.54Å; V80-L85 HydrophobicContact CG1-CG 3.75Å; V80-L85 VanDerWaalsContact O-CB 3.29Å; V80-L85 WeakPolarHBondContact O-CB 3.48Å; V80-L85 VanDerWaalsContact O-CG 3.27Å; V80-L85 WeakPolarHBondContact O-CG 3.47Å; V80-L85 PolarHBondContact O-N 3.08Å
81S72.5Confident80.7Confident16 Ų1666.3 Ų66.311%0.11236%0.362CS..Iπ-helixtrans-66.7-50.1179-1750000112.2G33 A37 D77 N86G33-S81 PolarHBondContact O-OG 3.2Å; A37-S81 WeakPolarHBondContact CB-OG 3.22Å; A37-S81 PolarHBondContact N-OG 2.99Å; D77-S81 VanDerWaalsContact O-CB 3.23Å; D77-S81 WeakPolarHBondContact O-CB 3.4Å; D77-S81 PolarHBondContact O-N 3.37Å; S81-N86 PolarHBondContact O-ND2 2.82Å
82G68.5Low81.3Confident44 Ų4462.7 Ų62.745%0.45435%0.352SS..Iπ-helixtrans-76.4-43.2-172.700000113.4H78 N86H78-G82 WeakPolarHBondContact O-CA 3.24Å; H78-G82 PolarHBondContact O-N 3.13Å; G82-N86 PolarHBondContact O-ND2 2.95Å
83G76.7Confident81.6Confident28 Ų2858.9 Ų58.929%0.28933%0.331SS..Iπ-helixtrans-107.9-65.3-168.700000114.2Y79 S87Y79-G83 WeakPolarHBondContact O-CA 3.46Å; Y79-G83 PolarHBondContact O-N 3.35Å; G83-S87 VanDerWaalsContact O-CB 3.27Å; G83-S87 WeakPolarHBondContact O-CB 3.32Å; G83-S87 PolarHBondContact O-N 3.42Å; G83-S87 PolarHBondContact O-OG 3.07Å
84L84.7Confident82.1Confident81 Ų8159.7 Ų59.742%0.42433%0.333SS..Iπ-helixtrans-65.7-55.1-167.4-170.191.9000112.2Y79 N86 S87 V88Y79-L84 HydrophobicContact CE1-CB 4.3Å; Y79-L84 HydrophobicContact CE1-CD1 4.39Å; Y79-L84 PolarHBondContact O-N 2.9Å; Y79-L84 VanDerWaalsContact O-N 3.08Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 3.07Å; L84-S87 PolarHBondContact O-N 2.97Å; L84-V88 WeakPolarHBondContact O-CG2 3.35Å; L84-V88 PolarHBondContact O-N 2.96Å
85L85.4Confident82.7Confident21 Ų2162.1 Ų62.111%0.1134%0.343CS..Hα-helixtrans-64.6-40.6-176.7-68.8173.7000111.4L29 I32 F36 V80 S87 V88 R89L29-L85 HydrophobicContact CD2-CD2 3.69Å; I32-L85 HydrophobicContact CG2-CD1 3.85Å; F36-L85 HydrophobicContact CD2-CD1 3.77Å; F36-L85 HydrophobicContact CE2-CD1 4.26Å; V80-L85 HydrophobicContact CG1-CD1 3.54Å; V80-L85 HydrophobicContact CG1-CG 3.75Å; V80-L85 VanDerWaalsContact O-CB 3.29Å; V80-L85 WeakPolarHBondContact O-CB 3.48Å; V80-L85 VanDerWaalsContact O-CG 3.27Å; V80-L85 WeakPolarHBondContact O-CG 3.47Å; V80-L85 PolarHBondContact O-N 3.08Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.28Å; L85-V88 PolarHBondContact O-N 3.25Å; L85-R89 WeakPolarHBondContact O-CB 3.38Å; L85-R89 PolarHBondContact O-N 3.01Å
86N82.7Confident83Confident59 Ų5960 Ų6032%0.31633%0.329SS..Hα-helixtrans-62.3-39.9175.2-82.8-36.1000112.3S81 G82 L84 R89 S90S81-N86 PolarHBondContact O-ND2 2.82Å; G82-N86 PolarHBondContact O-ND2 2.95Å; L84-N86 VanDerWaalsContact C-N 3.34Å; L84-N86 PolarHBondContact O-N 3.07Å; N86-R89 PolarHBondContact OD1-NH2 3.04Å; N86-S90 VanDerWaalsContact O-CB 3.31Å; N86-S90 WeakPolarHBondContact O-CB 3.48Å; N86-S90 PolarHBondContact O-N 2.74Å
87S86.7Confident83.4Confident69 Ų6957.5 Ų57.548%0.48332%0.315SS..Hα-helixtrans-67.7-47.1177.6-60.40000111.8G83 L84 L85 R89 S90 L91G83-S87 VanDerWaalsContact O-CB 3.27Å; G83-S87 WeakPolarHBondContact O-CB 3.32Å; G83-S87 PolarHBondContact O-N 3.42Å; G83-S87 PolarHBondContact O-OG 3.07Å; L84-S87 PolarHBondContact O-N 2.97Å; L85-S87 VanDerWaalsContact C-N 3.33Å; L85-S87 PolarHBondContact O-N 3.28Å; S87-R89 VanDerWaalsContact C-N 3.35Å; S87-R89 PolarHBondContact O-N 3.34Å; S87-S90 WeakPolarHBondContact O-CB 3.49Å; S87-S90 PolarHBondContact O-N 3.44Å; S87-L91 WeakPolarHBondContact O-CG 3.48Å; S87-L91 PolarHBondContact O-N 2.62Å
88V88.8Confident84Confident61 Ų6161.9 Ų61.937%0.3734%0.335SS..Hα-helixtrans-61.8-43.9176.5175.90000110.9L29 L84 L85 S90 L91 L92L29-V88 HydrophobicContact CD1-CB 4.47Å; L29-V88 HydrophobicContact CD1-CG1 3.84Å; L84-V88 WeakPolarHBondContact O-CG2 3.35Å; L84-V88 PolarHBondContact O-N 2.96Å; L85-V88 PolarHBondContact O-N 3.25Å; V88-S90 VanDerWaalsContact C-N 3.33Å; V88-S90 PolarHBondContact O-N 3.19Å; V88-L91 PolarHBondContact O-N 2.77Å; V88-L92 HydrophobicContact CG1-CD1 4.45Å; V88-L92 WeakPolarHBondContact O-CG 3.47Å; V88-L92 PolarHBondContact O-N 2.93Å
89R88.7Confident84.6Confident34 Ų3458 Ų5813%0.12832%0.318CS..Hα-helixtrans-58.8-44.5174.6-176.5-175.159.773.4-0.5111.3V26 L29 L85 N86 S87 L92 W93 F148V26-R89 HydrophobicContact CB-CG 4.44Å; V26-R89 HydrophobicContact CG1-CG 3.89Å; V26-R89 HydrophobicContact CG2-CG 4.43Å; L29-R89 HydrophobicContact CB-CB 4.26Å; L29-R89 HydrophobicContact CB-CG 4.5Å; L29-R89 HydrophobicContact CD1-CB 4.28Å; L85-R89 WeakPolarHBondContact O-CB 3.38Å; L85-R89 PolarHBondContact O-N 3.01Å; N86-R89 PolarHBondContact OD1-NH2 3.04Å; S87-R89 VanDerWaalsContact C-N 3.35Å; S87-R89 PolarHBondContact O-N 3.34Å; R89-L92 PolarHBondContact O-N 3.26Å; R89-W93 WeakPolarHBondContact O-CB 3.43Å; R89-W93 PolarHBondContact O-N 3.38Å; R89-F148 HydrophobicContact CG-CE1 4.4Å
90S86.9Confident85Confident60 Ų6051.3 Ų51.342%0.4229%0.292SS..Hα-helixtrans-61.3-45177.4-170.50000111.6N86 S87 V88 L92 W93 V94N86-S90 VanDerWaalsContact O-CB 3.31Å; N86-S90 WeakPolarHBondContact O-CB 3.48Å; N86-S90 PolarHBondContact O-N 2.74Å; S87-S90 WeakPolarHBondContact O-CB 3.49Å; S87-S90 PolarHBondContact O-N 3.44Å; V88-S90 VanDerWaalsContact C-N 3.33Å; V88-S90 PolarHBondContact O-N 3.19Å; S90-L92 PolarHBondContact O-N 3.49Å; S90-W93 PolarHBondContact O-N 3.05Å; S90-W93 VanDerWaalsContact O-N 3.17Å; S90-V94 WeakPolarHBondContact O-CG2 3.25Å; S90-V94 PolarHBondContact O-N 2.78Å
91L88.5Confident85.5Confident123 Ų12350.5 Ų50.564%0.64429%0.288SS*.Hα-helixtrans-61.3-41.6177.3-70.8172.2000112.9S87 V88S87-L91 WeakPolarHBondContact O-CG 3.48Å; S87-L91 PolarHBondContact O-N 2.62Å; V88-L91 PolarHBondContact O-N 2.77Å
92L88.5Confident86.4Confident50 Ų5056.6 Ų56.626%0.26231%0.313SS..Hα-helixtrans-67.9-39174.8-68.6177.4000111.7V26 L29 V88 R89 S90 K95V26-L92 HydrophobicContact CG2-CB 3.48Å; V26-L92 VanDerWaalsContact CG2-CB 3.48Å; V26-L92 HydrophobicContact CG2-CD1 4.43Å; L29-L92 HydrophobicContact CD1-CD1 3.68Å; V88-L92 HydrophobicContact CG1-CD1 4.45Å; V88-L92 WeakPolarHBondContact O-CG 3.47Å; V88-L92 PolarHBondContact O-N 2.93Å; R89-L92 PolarHBondContact O-N 3.26Å; S90-L92 PolarHBondContact O-N 3.49Å; L92-K95 PolarHBondContact O-N 2.92Å
93W89.5Confident87.4Confident17 Ų1758 Ų586%0.06430%0.304CS..Hα-helixtrans-64.7-40.4178.8179.9-108.4000112.7F23 V26 R89 S90 K95 V96 Q97 L143 F148F23-W93 HydrophobicContact CD2-CZ3 4.09Å; F23-W93 HydrophobicContact CE2-CZ3 4.03Å; V26-W93 HydrophobicContact CG1-CE3 4.24Å; V26-W93 HydrophobicContact CG2-CB 4.38Å; R89-W93 WeakPolarHBondContact O-CB 3.43Å; R89-W93 PolarHBondContact O-N 3.38Å; S90-W93 PolarHBondContact O-N 3.05Å; S90-W93 VanDerWaalsContact O-N 3.17Å; W93-K95 PolarHBondContact O-N 2.87Å; W93-V96 HydrophobicContact CE3-CB 4.3Å; W93-V96 HydrophobicContact CE3-CG1 4.43Å; W93-V96 HydrophobicContact CZ3-CG1 4.15Å; W93-V96 PolarHBondContact O-N 2.86Å; W93-Q97 WeakPolarHBondContact O-CB 3.24Å; W93-Q97 PolarHBondContact O-N 3.49Å; W93-L143 HydrophobicContact CH2-CB 4.38Å; W93-L143 HydrophobicContact CH2-CD1 4.34Å; W93-L143 HydrophobicContact CZ2-CB 4.22Å; W93-F148 HydrophobicContact CB-CZ 4.49Å; W93-F148 AromaticContact CD2-CE2 3.5Å; W93-F148 HydrophobicContact CD2-CE2 3.5Å; W93-F148 AromaticContact CD2-CZ 3.71Å; W93-F148 HydrophobicContact CD2-CZ 3.71Å; W93-F148 AromaticContact CE2-CE2 3.65Å; W93-F148 AromaticContact CE3-CE2 3.89Å; W93-F148 HydrophobicContact CE3-CE2 3.89Å; W93-F148 AromaticContact CE3-CZ 3.65Å; W93-F148 HydrophobicContact CE3-CZ 3.65Å; W93-F148 AromaticContact CG-CE2 3.77Å; W93-F148 HydrophobicContact CG-CE2 3.77Å; W93-F148 HydrophobicContact CG-CZ 4.08Å; W93-F148 HydrophobicContact CH2-CE2 4.45Å; W93-F148 HydrophobicContact CZ2-CE2 4.14Å; W93-F148 HydrophobicContact CZ3-CE2 4.34Å; W93-F148 HydrophobicContact CZ3-CZ 4.13Å; W93-F148 AromaticContact NE1-CE2 3.97Å
94V89.9Confident88Confident67 Ų6756.8 Ų56.841%0.40629%0.291SS..Hα-helixtrans-54.3-41.1179.2168.60000111.5S90 Q97 Q98S90-V94 WeakPolarHBondContact O-CG2 3.25Å; S90-V94 PolarHBondContact O-N 2.78Å; V94-Q97 PolarHBondContact O-N 3.09Å; V94-Q98 HydrophobicContact CG1-CG 4.24Å; V94-Q98 WeakPolarHBondContact O-CB 3.18Å; V94-Q98 WeakPolarHBondContact O-CG 3.49Å; V94-Q98 PolarHBondContact O-N 3.08Å
95K87Confident88.4Confident121 Ų12154.7 Ų54.753%0.52628%0.283SS..Hα-helixtrans-64.6-42.1177.9-68.6-176.9178.4178.80112.5M19 L92 W93 L99M19-K95 HydrophobicContact CE-CB 4.34Å; M19-K95 HydrophobicContact SD-CB 4.12Å; L92-K95 PolarHBondContact O-N 2.92Å; W93-K95 PolarHBondContact O-N 2.87Å; K95-L99 PolarHBondContact O-N 2.94Å
96V86.8Confident88.7Confident2 Ų258.5 Ų58.51%0.01230%0.302CS..Hα-helixtrans-65.7-47177179.20000110F23 W93 Q98 L99 S100F23-V96 HydrophobicContact CB-CG2 4.32Å; F23-V96 HydrophobicContact CD2-CG1 4.16Å; W93-V96 HydrophobicContact CE3-CB 4.3Å; W93-V96 HydrophobicContact CE3-CG1 4.43Å; W93-V96 HydrophobicContact CZ3-CG1 4.15Å; W93-V96 PolarHBondContact O-N 2.86Å; V96-Q98 PolarHBondContact O-N 3.36Å; V96-L99 PolarHBondContact O-N 2.84Å; V96-S100 PolarHBondContact O-N 2.84Å; V96-S100 PolarHBondContact O-OG 3.41Å
97Q88.5Confident89.1Confident35 Ų3556.9 Ų56.916%0.16430%0.296CS..Hα-helixtrans-57.2-49178.2-173.7179.7-22.600111.8W93 V94 L99 S100 S101 N140W93-Q97 WeakPolarHBondContact O-CB 3.24Å; W93-Q97 PolarHBondContact O-N 3.49Å; V94-Q97 PolarHBondContact O-N 3.09Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 3.35Å; Q97-S100 PolarHBondContact O-N 3.5Å; Q97-S101 PolarHBondContact O-N 3.17Å; Q97-S101 PolarHBondContact O-OG 2.93Å; Q97-S101 VanDerWaalsContact O-OG 3.13Å; Q97-N140 HydrophobicContact CG-CB 3.81Å; Q97-N140 WeakPolarHBondContact CG-OD1 3.5Å
98Q89.9Confident89.4Confident117 Ų11753.6 Ų53.655%0.54727%0.273SS..Hα-helixtrans-63.1-36.4179.8-71.2-63.7-2700112.8V94 V96 K102V94-Q98 HydrophobicContact CG1-CG 4.24Å; V94-Q98 WeakPolarHBondContact O-CB 3.18Å; V94-Q98 WeakPolarHBondContact O-CG 3.49Å; V94-Q98 PolarHBondContact O-N 3.08Å; V96-Q98 PolarHBondContact O-N 3.36Å; Q98-K102 WeakPolarHBondContact O-CB 3.3Å; Q98-K102 PolarHBondContact O-N 3.3Å
99L87.9Confident89.5Confident38 Ų3855.3 Ų55.320%0.19928%0.276CS..Hα-helixtrans-66-44.4174.718062.7000111.6P13 M19 K95 V96 Q97 K102 R103P13-L99 HydrophobicContact CB-CD2 3.78Å; M19-L99 HydrophobicContact CB-CD2 4.14Å; M19-L99 HydrophobicContact CG-CD2 3.89Å; K95-L99 PolarHBondContact O-N 2.94Å; V96-L99 PolarHBondContact O-N 2.84Å; Q97-L99 VanDerWaalsContact C-N 3.32Å; Q97-L99 PolarHBondContact O-N 3.35Å; L99-K102 PolarHBondContact O-N 3.39Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 2.9Å
100S86.8Confident89.7Confident4 Ų462.3 Ų62.33%0.02830%0.302CS..Hα-helixtrans-63.5-46.3176.3-70.20000111.5Y10 V96 Q97 K102 R103 I104Y10-S100 PolarHBondContact O-OG 3.23Å; Y10-S100 VanDerWaalsContact O-OG 3.1Å; V96-S100 PolarHBondContact O-N 2.84Å; V96-S100 PolarHBondContact O-OG 3.41Å; Q97-S100 PolarHBondContact O-N 3.5Å; S100-K102 PolarHBondContact O-N 2.94Å; S100-R103 PolarHBondContact O-N 3.17Å; S100-I104 WeakPolarHBondContact O-CG1 3.35Å; S100-I104 PolarHBondContact O-N 3.38Å
101S90.7Very high89.9Confident14 Ų1461.2 Ų61.210%0.09829%0.291CS..Hα-helixtrans-54-53.2174-62.40000111.4Q97 R103 I104 S105 N140Q97-S101 PolarHBondContact O-N 3.17Å; Q97-S101 PolarHBondContact O-OG 2.93Å; Q97-S101 VanDerWaalsContact O-OG 3.13Å; S101-R103 VanDerWaalsContact C-N 3.3Å; S101-R103 PolarHBondContact O-N 3.39Å; S101-I104 PolarHBondContact O-N 3.31Å; S101-S105 WeakPolarHBondContact O-CB 3.45Å; S101-S105 PolarHBondContact O-N 3.28Å; S101-S105 PolarHBondContact O-OG 3.28Å; S101-N140 PolarHBondContact OG-ND2 3.48Å
102K90.8Very high90.1Very high144 Ų14456.2 Ų56.263%0.62626%0.264SS*.Hα-helixtrans-55.4-44.7179.3179.2179.6177.8176.30112.1Q98 L99 S100 M106Q98-K102 WeakPolarHBondContact O-CB 3.3Å; Q98-K102 PolarHBondContact O-N 3.3Å; L99-K102 PolarHBondContact O-N 3.39Å; S100-K102 PolarHBondContact O-N 2.94Å; K102-M106 HydrophobicContact CG-CG 4.31Å; K102-M106 VanDerWaalsContact O-CB 3.26Å; K102-M106 WeakPolarHBondContact O-CB 3.3Å; K102-M106 WeakPolarHBondContact O-CG 3.45Å; K102-M106 PolarHBondContact O-N 2.96Å
103R89.6Confident90.2Very high72 Ų7259.8 Ų59.827%0.27228%0.279SS..Hα-helixtrans-65-45.3-178.8-75175.6176.7-165.8-4.7111.9Y10 W12 A14 L99 S100 S101 A107Y10-R103 HydrophobicContact CD1-CB 4.31Å; W12-R103 PolarHBondContact O-NH1 3Å; A14-R103 PolarHBondContact O-NH2 3.4Å; L99-R103 WeakPolarHBondContact O-CG 3.36Å; L99-R103 PolarHBondContact O-N 2.9Å; S100-R103 PolarHBondContact O-N 3.17Å; S101-R103 VanDerWaalsContact C-N 3.3Å; S101-R103 PolarHBondContact O-N 3.39Å; R103-A107 WeakPolarHBondContact O-CB 3.46Å; R103-A107 PolarHBondContact O-N 3.18Å
104I90.1Very high90.2Very high4 Ų461.7 Ų61.72%0.02130%0.295CS..Hα-helixtrans-67.4-48.3179.9-60.8168.7000109.8Y10 S100 S101 M106 A107 L108 V136 V139 M324 F328Y10-I104 HydrophobicContact CD1-CG1 4.28Å; Y10-I104 HydrophobicContact CG-CG1 4.17Å; S100-I104 WeakPolarHBondContact O-CG1 3.35Å; S100-I104 PolarHBondContact O-N 3.38Å; S101-I104 PolarHBondContact O-N 3.31Å; I104-M106 PolarHBondContact O-N 3.07Å; I104-A107 PolarHBondContact O-N 2.93Å; I104-L108 WeakPolarHBondContact O-CB 3.12Å; I104-L108 PolarHBondContact O-N 3.18Å; I104-V136 HydrophobicContact CB-CG2 4.24Å; I104-V136 HydrophobicContact CG2-CG2 3.77Å; I104-V139 HydrophobicContact CD1-CB 4.31Å; I104-V139 HydrophobicContact CD1-CG1 3.86Å; I104-V139 HydrophobicContact CD1-CG2 4.48Å; I104-M324 HydrophobicContact CG2-CE 4.35Å; I104-M324 HydrophobicContact CG2-SD 3.94Å; I104-F328 HydrophobicContact CG2-CE2 4.5Å
105S92.5Very high90.2Very high36 Ų3659 Ų5925%0.25228%0.278SS..Hα-helixtrans-57.7-45.5177.4-59.30000111.9S101 L108 F109S101-S105 WeakPolarHBondContact O-CB 3.45Å; S101-S105 PolarHBondContact O-N 3.28Å; S101-S105 PolarHBondContact O-OG 3.28Å; S105-L108 PolarHBondContact O-N 3.11Å; S105-F109 WeakPolarHBondContact O-CB 3.34Å; S105-F109 PolarHBondContact O-N 3.27Å
106M92.4Very high90.2Very high102 Ų10253.6 Ų53.650%0.50226%0.256SS..Hα-helixtrans-66-39.7178.4-74-65.6-60.500112.8K102 I104 R110K102-M106 HydrophobicContact CG-CG 4.31Å; K102-M106 VanDerWaalsContact O-CB 3.26Å; K102-M106 WeakPolarHBondContact O-CB 3.3Å; K102-M106 WeakPolarHBondContact O-CG 3.45Å; K102-M106 PolarHBondContact O-N 2.96Å; I104-M106 PolarHBondContact O-N 3.07Å; M106-R110 VanDerWaalsContact O-CB 3.3Å; M106-R110 WeakPolarHBondContact O-CB 3.34Å; M106-R110 PolarHBondContact O-N 3.42Å
107A91Very high90.1Very high24 Ų2457 Ų5720%0.19827%0.269CS..Hα-helixtrans-65.1-43.7176.900000111.1Y10 R103 I104 H111 F328Y10-A107 HydrophobicContact CE1-CB 4.04Å; R103-A107 WeakPolarHBondContact O-CB 3.46Å; R103-A107 PolarHBondContact O-N 3.18Å; I104-A107 PolarHBondContact O-N 2.93Å; A107-H111 WeakPolarHBondContact O-CB 3.48Å; A107-H111 PolarHBondContact O-N 3.23Å; A107-F328 HydrophobicContact CB-CE1 4.2Å; A107-F328 HydrophobicContact CB-CZ 4.06Å
108L91.7Very high90Very high0 Ų060.3 Ų60.30%028%0.28CS..Hα-helixtrans-68.4-44.7179-171.947.8000111.4I104 S105 R110 H111 I112 M132 M324 L327 F328I104-L108 WeakPolarHBondContact O-CB 3.12Å; I104-L108 PolarHBondContact O-N 3.18Å; S105-L108 PolarHBondContact O-N 3.11Å; L108-R110 VanDerWaalsContact C-N 3.35Å; L108-R110 PolarHBondContact O-N 3.48Å; L108-H111 PolarHBondContact O-N 3.47Å; L108-H111 VanDerWaalsContact O-N 3.12Å; L108-I112 HydrophobicContact CD1-CD1 4.25Å; L108-I112 HydrophobicContact CD1-CG1 4.27Å; L108-I112 HydrophobicContact CG-CD1 3.97Å; L108-I112 HydrophobicContact CG-CG1 4.48Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.48Å; L108-M132 HydrophobicContact CD2-CB 3.86Å; L108-M132 HydrophobicContact CD2-CG 3.72Å; L108-M132 HydrophobicContact CG-CG 4.19Å; L108-M324 HydrophobicContact CD2-CG 3.62Å; L108-M324 HydrophobicContact CD2-SD 4.27Å; L108-L327 HydrophobicContact CD1-CB 4.5Å; L108-L327 HydrophobicContact CD1-CD2 3.84Å; L108-L327 HydrophobicContact CD1-CG 3.88Å; L108-L327 HydrophobicContact CD2-CD2 4.33Å; L108-L327 HydrophobicContact CG-CD2 4.35Å; L108-F328 VanDerWaalsContact CA-CZ 3.46Å; L108-F328 HydrophobicContact CB-CE1 4.15Å; L108-F328 HydrophobicContact CB-CE2 3.83Å; L108-F328 HydrophobicContact CB-CZ 3.49Å; L108-F328 VanDerWaalsContact CB-CZ 3.49Å; L108-F328 HydrophobicContact CD1-CD1 4.13Å; L108-F328 HydrophobicContact CD1-CD2 3.82Å; L108-F328 HydrophobicContact CD1-CE1 4.05Å; L108-F328 HydrophobicContact CD1-CE2 3.74Å; L108-F328 HydrophobicContact CD1-CG 4.02Å; L108-F328 HydrophobicContact CD1-CZ 3.88Å; L108-F328 HydrophobicContact CD2-CE2 4.13Å; L108-F328 HydrophobicContact CG-CE2 4.12Å; L108-F328 HydrophobicContact CG-CZ 4.18Å
109F92.8Very high90Very high97 Ų9756.2 Ų56.243%0.42526%0.259SS..Hα-helixtrans-60-44176.9-169.9-102.8000112S105 H111 I112 H113S105-F109 WeakPolarHBondContact O-CB 3.34Å; S105-F109 PolarHBondContact O-N 3.27Å; F109-H111 VanDerWaalsContact C-N 3.34Å; F109-H111 PolarHBondContact O-N 3.18Å; F109-I112 PolarHBondContact O-N 3.01Å; F109-H113 AromaticContact CD1-CD2 3.7Å; F109-H113 AromaticContact CE1-CD2 3.38Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.34Å; F109-H113 AromaticContact CE1-NE2 3.23Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.23Å; F109-H113 AromaticContact CE2-NE2 3.77Å; F109-H113 AromaticContact CZ-CD2 3.65Å; F109-H113 AromaticContact CZ-NE2 3.08Å; F109-H113 WeakPolarHBondContact CZ-NE2 3.45Å; F109-H113 PolarHBondContact O-CD2 3.4Å; F109-H113 VanDerWaalsContact O-CD2 3.31Å; F109-H113 PolarHBondContact O-N 2.92Å; F109-H113 VanDerWaalsContact O-N 3.09Å
110R92.6Very high90.1Very high182 Ų18257.9 Ų57.969%0.68727%0.266SS*.Hα-helixtrans-61.7-42.5173.7-177.3-179.1-68.6158.9-2.7111.7M106 L108 H113 S114M106-R110 VanDerWaalsContact O-CB 3.3Å; M106-R110 WeakPolarHBondContact O-CB 3.34Å; M106-R110 PolarHBondContact O-N 3.42Å; L108-R110 VanDerWaalsContact C-N 3.35Å; L108-R110 PolarHBondContact O-N 3.48Å; R110-H113 PolarHBondContact O-N 2.93Å; R110-S114 PolarHBondContact O-N 3.08Å
111H91.3Very high90.1Very high37 Ų3762.7 Ų62.717%0.17129%0.291CS..Hα-helixtrans-65.5-45.6178.5-179.259.5000111.8A107 L108 F109 H113 S114 L115 L327 F328 Q330A107-H111 WeakPolarHBondContact O-CB 3.48Å; A107-H111 PolarHBondContact O-N 3.23Å; L108-H111 PolarHBondContact O-N 3.47Å; L108-H111 VanDerWaalsContact O-N 3.12Å; F109-H111 VanDerWaalsContact C-N 3.34Å; F109-H111 PolarHBondContact O-N 3.18Å; H111-H113 VanDerWaalsContact C-N 3.29Å; H111-H113 PolarHBondContact O-N 3.02Å; H111-S114 WeakPolarHBondContact O-CA 3.42Å; H111-S114 WeakPolarHBondContact O-CB 3.37Å; H111-S114 PolarHBondContact O-N 3.5Å; H111-S114 PolarHBondContact O-OG 3.23Å; H111-L115 PolarHBondContact O-N 3.32Å; H111-L327 PolarHBondContact CD2-O 2.98Å; H111-L327 PolarHBondContact NE2-O 3.34Å; H111-L327 VanDerWaalsContact NE2-O 3.17Å; H111-F328 HydrophobicContact CB-CD1 4.27Å; H111-F328 HydrophobicContact CB-CE1 4.28Å; H111-F328 PolarHBondContact NE2-O 3.48Å; H111-Q330 PolarHBondContact CE1-O 2.87Å; H111-Q330 VanDerWaalsContact CE1-O 3.27Å; H111-Q330 PolarHBondContact NE2-O 3.19Å
112I92.6Very high89.9Confident18 Ų1867.7 Ų67.79%0.09232%0.317CS..Hα-helixtrans-54.7-46.2175.2-69.5163.1000110.5L108 F109 S114 L115 W119 H120 V128 M132 L327L108-I112 HydrophobicContact CD1-CD1 4.25Å; L108-I112 HydrophobicContact CD1-CG1 4.27Å; L108-I112 HydrophobicContact CG-CD1 3.97Å; L108-I112 HydrophobicContact CG-CG1 4.48Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.43Å; L108-I112 PolarHBondContact O-N 3.48Å; F109-I112 PolarHBondContact O-N 3.01Å; I112-S114 PolarHBondContact O-N 3.2Å; I112-L115 WeakPolarHBondContact O-CB 3.45Å; I112-L115 PolarHBondContact O-N 3.31Å; I112-L115 VanDerWaalsContact O-N 3.12Å; I112-W119 HydrophobicContact CG2-CZ3 4.33Å; I112-H120 PolarHBondContact O-CE1 3.42Å; I112-H120 PolarHBondContact O-NE2 3.47Å; I112-V128 HydrophobicContact CD1-CG1 3.85Å; I112-V128 HydrophobicContact CG1-CG1 4.33Å; I112-V128 HydrophobicContact CG2-CG1 4.43Å; I112-M132 HydrophobicContact CD1-SD 4.38Å; I112-L327 HydrophobicContact CD1-CD2 4.01Å; I112-L327 HydrophobicContact CG1-CD1 4.44Å; I112-L327 HydrophobicContact CG1-CD2 4.16Å; I112-L327 HydrophobicContact CG1-CG 4.41Å
113H90.7Very high89.7Confident125 Ų12565.5 Ų65.558%0.57931%0.305SS*.Hα-helixtrans-64.4-20.4176.2-86.2-65.1000114.6F109 R110 H111F109-H113 AromaticContact CD1-CD2 3.7Å; F109-H113 AromaticContact CE1-CD2 3.38Å; F109-H113 WeakPolarHBondContact CE1-CD2 3.34Å; F109-H113 AromaticContact CE1-NE2 3.23Å; F109-H113 WeakPolarHBondContact CE1-NE2 3.23Å; F109-H113 AromaticContact CE2-NE2 3.77Å; F109-H113 AromaticContact CZ-CD2 3.65Å; F109-H113 AromaticContact CZ-NE2 3.08Å; F109-H113 WeakPolarHBondContact CZ-NE2 3.45Å; F109-H113 PolarHBondContact O-CD2 3.4Å; F109-H113 VanDerWaalsContact O-CD2 3.31Å; F109-H113 PolarHBondContact O-N 2.92Å; F109-H113 VanDerWaalsContact O-N 3.09Å; R110-H113 PolarHBondContact O-N 2.93Å; H111-H113 VanDerWaalsContact C-N 3.29Å; H111-H113 PolarHBondContact O-N 3.02Å
114S88.9Confident89.7Confident56 Ų5669.7 Ų69.739%0.39233%0.325SS..Hα-helixtrans-87.2-11176.576.20000113.5R110 H111 I112 S332R110-S114 PolarHBondContact O-N 3.08Å; H111-S114 WeakPolarHBondContact O-CA 3.42Å; H111-S114 WeakPolarHBondContact O-CB 3.37Å; H111-S114 PolarHBondContact O-N 3.5Å; H111-S114 PolarHBondContact O-OG 3.23Å; I112-S114 PolarHBondContact O-N 3.2Å; S114-S332 VanDerWaalsContact O-CB 3.28Å; S114-S332 WeakPolarHBondContact O-CB 3.45Å; S114-S332 PolarHBondContact O-OG 2.64Å
115L90.5Very high89.6Confident11 Ų1174.7 Ų74.76%0.05836%0.355CS..SBendtrans-70161178.2-64.4177.6000111.1H111 I112 W119 L327 Q330H111-L115 PolarHBondContact O-N 3.32Å; I112-L115 WeakPolarHBondContact O-CB 3.45Å; I112-L115 PolarHBondContact O-N 3.31Å; I112-L115 VanDerWaalsContact O-N 3.12Å; L115-W119 HydrophobicContact CB-CB 4.39Å; L115-W119 HydrophobicContact CB-CD2 4.17Å; L115-W119 HydrophobicContact CB-CE3 3.99Å; L115-W119 HydrophobicContact CB-CG 4.34Å; L115-W119 HydrophobicContact CD1-CD2 3.59Å; L115-W119 HydrophobicContact CD1-CE3 3.62Å; L115-W119 HydrophobicContact CD1-CG 4.25Å; L115-W119 HydrophobicContact CD1-CH2 3.84Å; L115-W119 HydrophobicContact CD1-CZ2 3.79Å; L115-W119 HydrophobicContact CD1-CZ3 3.75Å; L115-W119 HydrophobicContact CG-CD2 4.48Å; L115-W119 HydrophobicContact CG-CE3 4.46Å; L115-L327 HydrophobicContact CD1-CD1 4.23Å; L115-Q330 HydrophobicContact CD1-CB 4.28Å; L115-Q330 HydrophobicContact CD2-CB 3.79Å; L115-Q330 WeakPolarHBondContact CD2-O 3.37Å
116S86.1Confident89.5Confident7 Ų775.5 Ų75.55%0.04937%0.37CS..  trans-70.7155.6-172.773.40000112.6R118 W119 H120 D333S116-R118 PolarHBondContact O-N 3.42Å; S116-W119 WeakPolarHBondContact O-CB 3.32Å; S116-W119 PolarHBondContact O-N 2.91Å; S116-W119 PolarHBondContact OG-N 2.87Å; S116-H120 PolarHBondContact O-CD2 2.82Å; S116-H120 VanDerWaalsContact O-CD2 3.28Å; S116-H120 PolarHBondContact O-N 3.38Å; S116-H120 VanDerWaalsContact O-N 3.16Å; S116-D333 WeakPolarHBondContact CB-OD2 3.48Å; S116-D333 PolarHBondContact OG-OD2 3.49Å
117Y85.5Confident89.3Confident75 Ų7574.4 Ų74.429%0.29436%0.364SS..Hα-helixtrans-58.1-35.5174.3-175.9-102.7000111.9W119 H120 L121 F399 Y400Y117-W119 PolarHBondContact O-N 3.09Å; Y117-H120 PolarHBondContact O-N 2.89Å; Y117-L121 HydrophobicContact CD1-CD1 3.86Å; Y117-L121 HydrophobicContact CD1-CG 4.34Å; Y117-L121 HydrophobicContact CE1-CD1 3.38Å; Y117-L121 HydrophobicContact CE1-CD2 4.47Å; Y117-L121 HydrophobicContact CE1-CG 3.98Å; Y117-L121 PolarHBondContact O-N 3.14Å; Y117-L121 VanDerWaalsContact O-N 3.11Å; Y117-F399 HydrophobicContact CD2-CD2 4.26Å; Y117-F399 HydrophobicContact CD2-CE2 4.5Å; Y117-F399 HydrophobicContact CG-CB 4.38Å; Y117-F399 HydrophobicContact CG-CD2 4.34Å; Y117-F399 HydrophobicContact CG-CG 4.43Å; Y117-Y400 AromaticContact CD1-CE2 3.68Å; Y117-Y400 HydrophobicContact CD1-CE2 3.68Å; Y117-Y400 AromaticContact CD1-CZ 3.86Å; Y117-Y400 WeakPolarHBondContact CD1-OH 3.33Å; Y117-Y400 HydrophobicContact CE1-CE2 4.46Å; Y117-Y400 HydrophobicContact CG-CE2 4.48Å
118R86.4Confident89.3Confident104 Ų10474 Ų7439%0.39236%0.358SS..Hα-helixtrans-60.9-43.9173.9-176.1179.7178.4177.60112.2S116 H120 L121 N122 Y359 Y400S116-R118 PolarHBondContact O-N 3.42Å; R118-H120 VanDerWaalsContact C-N 3.32Å; R118-H120 PolarHBondContact O-N 3.28Å; R118-L121 PolarHBondContact O-N 3.39Å; R118-N122 PolarHBondContact O-N 3.1Å; R118-N122 PolarHBondContact O-ND2 3.38Å; R118-Y359 PolarHBondContact NH1-O 3.07Å; R118-Y400 HydrophobicContact CB-CE1 3.97Å
119W90.1Very high89.3Confident30 Ų3077.8 Ų77.811%0.11438%0.378CS..Hα-helixtrans-62.1-42.7179-174.695.4000111.1I112 L115 S116 Y117 L121 N122 R123 V128 L327I112-W119 HydrophobicContact CG2-CZ3 4.33Å; L115-W119 HydrophobicContact CB-CB 4.39Å; L115-W119 HydrophobicContact CB-CD2 4.17Å; L115-W119 HydrophobicContact CB-CE3 3.99Å; L115-W119 HydrophobicContact CB-CG 4.34Å; L115-W119 HydrophobicContact CD1-CD2 3.59Å; L115-W119 HydrophobicContact CD1-CE3 3.62Å; L115-W119 HydrophobicContact CD1-CG 4.25Å; L115-W119 HydrophobicContact CD1-CH2 3.84Å; L115-W119 HydrophobicContact CD1-CZ2 3.79Å; L115-W119 HydrophobicContact CD1-CZ3 3.75Å; L115-W119 HydrophobicContact CG-CD2 4.48Å; L115-W119 HydrophobicContact CG-CE3 4.46Å; S116-W119 WeakPolarHBondContact O-CB 3.32Å; S116-W119 PolarHBondContact O-N 2.91Å; S116-W119 PolarHBondContact OG-N 2.87Å; Y117-W119 PolarHBondContact O-N 3.09Å; W119-L121 PolarHBondContact O-N 3.28Å; W119-N122 PolarHBondContact O-N 3.44Å; W119-R123 HydrophobicContact CD2-CG 4.09Å; W119-R123 HydrophobicContact CE3-CG 4.44Å; W119-R123 HydrophobicContact CH2-CB 4.49Å; W119-R123 HydrophobicContact CH2-CG 4.24Å; W119-R123 HydrophobicContact CZ2-CG 3.87Å; W119-R123 WeakPolarHBondContact O-CG 3.29Å; W119-R123 PolarHBondContact O-N 3.49Å; W119-V128 HydrophobicContact CH2-CB 4.44Å; W119-V128 HydrophobicContact CH2-CG1 3.88Å; W119-V128 HydrophobicContact CH2-CG2 3.62Å; W119-V128 HydrophobicContact CZ2-CG2 4.39Å; W119-V128 HydrophobicContact CZ3-CG2 4.26Å; W119-L327 HydrophobicContact CH2-CD1 3.54Å; W119-L327 HydrophobicContact CZ2-CD1 3.28Å
120H89.4Confident89.2Confident74 Ų7479.6 Ų79.634%0.34338%0.382SS..Hα-helixtrans-64.1-38.2177.5-76.3-67.4000113.9I112 S116 Y117 R118 N122I112-H120 PolarHBondContact O-CE1 3.42Å; I112-H120 PolarHBondContact O-NE2 3.47Å; S116-H120 PolarHBondContact O-CD2 2.82Å; S116-H120 VanDerWaalsContact O-CD2 3.28Å; S116-H120 PolarHBondContact O-N 3.38Å; S116-H120 VanDerWaalsContact O-N 3.16Å; Y117-H120 PolarHBondContact O-N 2.89Å; R118-H120 VanDerWaalsContact C-N 3.32Å; R118-H120 PolarHBondContact O-N 3.28Å; H120-N122 VanDerWaalsContact C-N 3.31Å; H120-N122 PolarHBondContact O-N 3.3Å
121L86.7Confident89.2Confident105 Ų10572.7 Ų72.755%0.5536%0.359SS..Hα-helixtrans-68.4-29.8178.2-74.1178.5000113.5Y117 R118 W119Y117-L121 HydrophobicContact CD1-CD1 3.86Å; Y117-L121 HydrophobicContact CD1-CG 4.34Å; Y117-L121 HydrophobicContact CE1-CD1 3.38Å; Y117-L121 HydrophobicContact CE1-CD2 4.47Å; Y117-L121 HydrophobicContact CE1-CG 3.98Å; Y117-L121 PolarHBondContact O-N 3.14Å; Y117-L121 VanDerWaalsContact O-N 3.11Å; R118-L121 PolarHBondContact O-N 3.39Å; W119-L121 PolarHBondContact O-N 3.28Å
122N86.6Confident89.2Confident119 Ų11971.9 Ų71.964%0.63636%0.355SS*.THydrogen-bonded Turntrans-91.9-3.2-175.5-70.3-22000113.8R118 W119 H120R118-N122 PolarHBondContact O-N 3.1Å; R118-N122 PolarHBondContact O-ND2 3.38Å; W119-N122 PolarHBondContact O-N 3.44Å; H120-N122 VanDerWaalsContact C-N 3.31Å; H120-N122 PolarHBondContact O-N 3.3Å
123R86.9Confident89.2Confident98 Ų9875 Ų7537%0.3737%0.372SS..SBendtrans-117.2138.2-176.7-68-66.9-171.11711110.7W119 T125 V128W119-R123 HydrophobicContact CD2-CG 4.09Å; W119-R123 HydrophobicContact CE3-CG 4.44Å; W119-R123 HydrophobicContact CH2-CB 4.49Å; W119-R123 HydrophobicContact CH2-CG 4.24Å; W119-R123 HydrophobicContact CZ2-CG 3.87Å; W119-R123 WeakPolarHBondContact O-CG 3.29Å; W119-R123 PolarHBondContact O-N 3.49Å; R123-T125 PolarHBondContact O-N 2.86Å; R123-V128 HydrophobicContact CB-CG2 3.95Å
124K88.8Confident89.3Confident160 Ų16074.3 Ų74.370%0.69636%0.364SS*.  trans-75.7121.5172.9-66.1-179.1-179.5179.90109.1G126 E127 V128K124-G126 VanDerWaalsContact C-N 3.26Å; K124-G126 PolarHBondContact O-N 2.9Å; K124-E127 HydrophobicContact CB-CB 4.12Å; K124-E127 WeakPolarHBondContact O-CB 3.48Å; K124-E127 PolarHBondContact O-N 2.96Å; K124-V128 PolarHBondContact O-N 3.34Å
125T89.1Confident89.4Confident108 Ų10871.7 Ų71.766%0.66335%0.346SS*.Hα-helixtrans-53.8-41.3-177.9-48.80000113R123 E127 V128 L129R123-T125 PolarHBondContact O-N 2.86Å; T125-E127 VanDerWaalsContact C-N 3.3Å; T125-E127 PolarHBondContact O-N 3.24Å; T125-V128 PolarHBondContact O-N 2.78Å; T125-L129 HydrophobicContact CG2-CD1 4.32Å; T125-L129 WeakPolarHBondContact O-CG 3.44Å; T125-L129 PolarHBondContact O-N 3.48Å
126G88.9Confident89.5Confident54 Ų5471.4 Ų71.456%0.55735%0.345SS*.Hα-helixtrans-65.1-30.217800000114.1K124 R130K124-G126 VanDerWaalsContact C-N 3.26Å; K124-G126 PolarHBondContact O-N 2.9Å; G126-R130 WeakPolarHBondContact O-CB 3.36Å; G126-R130 PolarHBondContact O-N 3.24Å; G126-R130 VanDerWaalsContact O-N 3.12Å
127E88Confident89.7Confident79 Ų7975.5 Ų75.537%0.36937%0.366SS..Hα-helixtrans-71-44.5175-172.5-173.415800110.9K124 T125 L129 R130 I131K124-E127 HydrophobicContact CB-CB 4.12Å; K124-E127 WeakPolarHBondContact O-CB 3.48Å; K124-E127 PolarHBondContact O-N 2.96Å; T125-E127 VanDerWaalsContact C-N 3.3Å; T125-E127 PolarHBondContact O-N 3.24Å; E127-L129 PolarHBondContact O-N 3.43Å; E127-R130 PolarHBondContact O-N 3.45Å; E127-I131 HydrophobicContact CG-CD1 4.23Å; E127-I131 WeakPolarHBondContact O-CG1 3.4Å; E127-I131 PolarHBondContact O-N 2.9Å
128V91.5Very high90Very high15 Ų1572.4 Ų72.49%0.09136%0.355CS..Hα-helixtrans-61.1-45.8177.7178.50000111.1I112 W119 R123 K124 T125 R130 I131 M132 L327I112-V128 HydrophobicContact CD1-CG1 3.85Å; I112-V128 HydrophobicContact CG1-CG1 4.33Å; I112-V128 HydrophobicContact CG2-CG1 4.43Å; W119-V128 HydrophobicContact CH2-CB 4.44Å; W119-V128 HydrophobicContact CH2-CG1 3.88Å; W119-V128 HydrophobicContact CH2-CG2 3.62Å; W119-V128 HydrophobicContact CZ2-CG2 4.39Å; W119-V128 HydrophobicContact CZ3-CG2 4.26Å; R123-V128 HydrophobicContact CB-CG2 3.95Å; K124-V128 PolarHBondContact O-N 3.34Å; T125-V128 PolarHBondContact O-N 2.78Å; V128-R130 VanDerWaalsContact C-N 3.34Å; V128-R130 PolarHBondContact O-N 3.31Å; V128-I131 PolarHBondContact O-N 3.48Å; V128-M132 PolarHBondContact O-N 3.03Å; V128-L327 HydrophobicContact CG1-CD2 4.17Å
129L91.9Very high90.1Very high80 Ų8067.4 Ų67.442%0.41934%0.336SS..Hα-helixtrans-60.9-43.2176-70.9173.2000111.5T125 E127 I131 M132 D133T125-L129 HydrophobicContact CG2-CD1 4.32Å; T125-L129 WeakPolarHBondContact O-CG 3.44Å; T125-L129 PolarHBondContact O-N 3.48Å; E127-L129 PolarHBondContact O-N 3.43Å; L129-I131 PolarHBondContact O-N 3.5Å; L129-M132 HydrophobicContact CD2-CE 3.82Å; L129-M132 WeakPolarHBondContact O-CB 3.49Å; L129-M132 PolarHBondContact O-N 3.19Å; L129-D133 PolarHBondContact O-N 3.06Å
130R91.9Very high90Very high135 Ų13566 Ų6651%0.50933%0.331SS..Hα-helixtrans-62.6-40.2177.4-168.7-179.379.9168.51.8112.6G126 E127 V128 M132 R134G126-R130 WeakPolarHBondContact O-CB 3.36Å; G126-R130 PolarHBondContact O-N 3.24Å; G126-R130 VanDerWaalsContact O-N 3.12Å; E127-R130 PolarHBondContact O-N 3.45Å; V128-R130 VanDerWaalsContact C-N 3.34Å; V128-R130 PolarHBondContact O-N 3.31Å; R130-M132 VanDerWaalsContact C-N 3.35Å; R130-R134 HydrophobicContact CG-CG 4.32Å; R130-R134 VanDerWaalsContact O-CB 3.3Å; R130-R134 WeakPolarHBondContact O-CB 3.45Å; R130-R134 WeakPolarHBondContact O-CG 3.36Å; R130-R134 PolarHBondContact O-N 2.59Å
131I91.3Very high90Very high37 Ų3765.6 Ų65.619%0.1933%0.329CS..Hα-helixtrans-63.6-43.4175.6-68.2165.4000110.1E127 V128 L129 G135 N323 L327E127-I131 HydrophobicContact CG-CD1 4.23Å; E127-I131 WeakPolarHBondContact O-CG1 3.4Å; E127-I131 PolarHBondContact O-N 2.9Å; V128-I131 PolarHBondContact O-N 3.48Å; L129-I131 PolarHBondContact O-N 3.5Å; I131-G135 WeakPolarHBondContact O-CA 3.39Å; I131-G135 PolarHBondContact O-N 3Å; I131-N323 HydrophobicContact CG2-CB 4.02Å; I131-L327 HydrophobicContact CG2-CD2 4.21Å
132M92.2Very high90.1Very high19 Ų1961.6 Ų61.69%0.09431%0.308CS..Hα-helixtrans-60.6-53.7176.4175.6-179.779.500111.7L108 I112 V128 L129 R130 G135 V136L108-M132 HydrophobicContact CD2-CB 3.86Å; L108-M132 HydrophobicContact CD2-CG 3.72Å; L108-M132 HydrophobicContact CG-CG 4.19Å; I112-M132 HydrophobicContact CD1-SD 4.38Å; V128-M132 PolarHBondContact O-N 3.03Å; L129-M132 HydrophobicContact CD2-CE 3.82Å; L129-M132 WeakPolarHBondContact O-CB 3.49Å; L129-M132 PolarHBondContact O-N 3.19Å; R130-M132 VanDerWaalsContact C-N 3.35Å; M132-G135 PolarHBondContact O-N 3.39Å; M132-V136 VanDerWaalsContact O-CG2 3.27Å; M132-V136 WeakPolarHBondContact O-CG2 3.24Å; M132-V136 PolarHBondContact O-N 3.35Å
133D92.1Very high90Very high84 Ų8457.9 Ų57.945%0.44929%0.288SS..Hα-helixtrans-64.4-49.8-175.7-67.7-22.8000111.5L129 G135 V136 D137L129-D133 PolarHBondContact O-N 3.06Å; D133-G135 VanDerWaalsContact C-N 3.32Å; D133-G135 PolarHBondContact O-N 3.23Å; D133-V136 PolarHBondContact O-N 3.26Å; D133-D137 WeakPolarHBondContact O-CB 3.43Å; D133-D137 PolarHBondContact O-N 3.34Å
134R92.5Very high90.1Very high111 Ų11155.1 Ų55.142%0.41928%0.28SS..Hα-helixtrans-63.9-36.7177.9-69.7-174.8-177.2-176-1112.5R130 S138 D320R130-R134 HydrophobicContact CG-CG 4.32Å; R130-R134 VanDerWaalsContact O-CB 3.3Å; R130-R134 WeakPolarHBondContact O-CB 3.45Å; R130-R134 WeakPolarHBondContact O-CG 3.36Å; R130-R134 PolarHBondContact O-N 2.59Å; R134-S138 WeakPolarHBondContact O-CB 3.39Å; R134-S138 PolarHBondContact O-N 2.87Å; R134-S138 PolarHBondContact O-OG 3.23Å; R134-D320 HydrophobicContact CB-CB 4.31Å
135G91.7Very high90.1Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-62.2-49176.700000111.9I131 M132 D133 S138 V139 M324I131-G135 WeakPolarHBondContact O-CA 3.39Å; I131-G135 PolarHBondContact O-N 3Å; M132-G135 PolarHBondContact O-N 3.39Å; D133-G135 VanDerWaalsContact C-N 3.32Å; D133-G135 PolarHBondContact O-N 3.23Å; G135-S138 PolarHBondContact O-N 3.03Å; G135-V139 WeakPolarHBondContact O-CG2 3.45Å; G135-V139 PolarHBondContact O-N 3.49Å; G135-V139 VanDerWaalsContact O-N 3.1Å; G135-M324 VanDerWaalsContact C-SD 3.56Å
136V91.4Very high89.9Confident6 Ų646.9 Ų46.94%0.03624%0.238CC..Hα-helixtrans-63.1-45.8178.4173.10000111.4I104 M132 D133 S138 V139 N140I104-V136 HydrophobicContact CB-CG2 4.24Å; I104-V136 HydrophobicContact CG2-CG2 3.77Å; M132-V136 VanDerWaalsContact O-CG2 3.27Å; M132-V136 WeakPolarHBondContact O-CG2 3.24Å; M132-V136 PolarHBondContact O-N 3.35Å; D133-V136 PolarHBondContact O-N 3.26Å; V136-S138 VanDerWaalsContact C-N 3.34Å; V136-S138 PolarHBondContact O-N 2.99Å; V136-V139 PolarHBondContact O-N 3.13Å; V136-N140 PolarHBondContact O-N 3.03Å; V136-N140 PolarHBondContact O-ND2 3.38Å
137D91.6Very high89.7Confident93 Ų9346 Ų4650%0.49723%0.225SC..Hα-helixtrans-63.3-41.8177.2-77.7-18.6000111.6D133 V139 N140 Q141D133-D137 WeakPolarHBondContact O-CB 3.43Å; D133-D137 PolarHBondContact O-N 3.34Å; D137-V139 PolarHBondContact O-N 2.68Å; D137-N140 PolarHBondContact O-N 3.06Å; D137-Q141 WeakPolarHBondContact O-CB 3.38Å; D137-Q141 VanDerWaalsContact O-CG 3.31Å; D137-Q141 WeakPolarHBondContact O-CG 3.33Å; D137-Q141 PolarHBondContact O-N 2.68Å
138S91.5Very high89.5Confident9 Ų942.6 Ų42.66%0.06321%0.209CC..Hα-helixtrans-63.1-38.7-180-72.20000113.4R134 G135 V136 N140 Q141 M142 D320R134-S138 WeakPolarHBondContact O-CB 3.39Å; R134-S138 PolarHBondContact O-N 2.87Å; R134-S138 PolarHBondContact O-OG 3.23Å; G135-S138 PolarHBondContact O-N 3.03Å; V136-S138 VanDerWaalsContact C-N 3.34Å; V136-S138 PolarHBondContact O-N 2.99Å; S138-N140 VanDerWaalsContact C-N 3.33Å; S138-N140 PolarHBondContact O-N 2.92Å; S138-Q141 PolarHBondContact O-N 3.47Å; S138-M142 WeakPolarHBondContact O-CB 3.29Å; S138-M142 PolarHBondContact O-N 3.29Å; S138-D320 VanDerWaalsContact OG-CB 3.28Å; S138-D320 WeakPolarHBondContact OG-CB 3.35Å; S138-D320 PolarHBondContact OG-OD2 3.09Å
139V88.8Confident89.3Confident0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-58.9-47.3174171.10000110.6L7 L11 I104 G135 V136 D137 L143 M321 M324L7-V139 HydrophobicContact CD1-CG1 4.25Å; L7-V139 HydrophobicContact CD1-CG2 4.09Å; L7-V139 HydrophobicContact CD2-CG1 4.2Å; L7-V139 HydrophobicContact CD2-CG2 3.94Å; L11-V139 HydrophobicContact CD2-CG1 3.74Å; I104-V139 HydrophobicContact CD1-CB 4.31Å; I104-V139 HydrophobicContact CD1-CG1 3.86Å; I104-V139 HydrophobicContact CD1-CG2 4.48Å; G135-V139 WeakPolarHBondContact O-CG2 3.45Å; G135-V139 PolarHBondContact O-N 3.49Å; G135-V139 VanDerWaalsContact O-N 3.1Å; V136-V139 PolarHBondContact O-N 3.13Å; D137-V139 PolarHBondContact O-N 2.68Å; V139-L143 WeakPolarHBondContact O-CG 3.36Å; V139-L143 PolarHBondContact O-N 2.82Å; V139-M321 HydrophobicContact CG2-CG 3.74Å; V139-M321 HydrophobicContact CG2-SD 3.84Å; V139-M324 HydrophobicContact CG2-CE 3.93Å
140N87.6Confident89.2Confident1 Ų141.3 Ų41.31%0.00520%0.202CC..Hα-helixtrans-69-41.8-178.5-72.1-58.6000112.6Q97 S101 V136 D137 S138 L143 N144Q97-N140 HydrophobicContact CG-CB 3.81Å; Q97-N140 WeakPolarHBondContact CG-OD1 3.5Å; S101-N140 PolarHBondContact OG-ND2 3.48Å; V136-N140 PolarHBondContact O-N 3.03Å; V136-N140 PolarHBondContact O-ND2 3.38Å; D137-N140 PolarHBondContact O-N 3.06Å; S138-N140 VanDerWaalsContact C-N 3.33Å; S138-N140 PolarHBondContact O-N 2.92Å; N140-L143 PolarHBondContact O-N 3Å; N140-N144 WeakPolarHBondContact O-CB 3.31Å; N140-N144 PolarHBondContact O-N 3.42Å
141Q89.8Confident89Confident65 Ų6538.5 Ų38.530%0.30420%0.199SC..Hα-helixtrans-66.9-43.2178.7-70.5-62.7-4.800111.4D137 S138 L143 N144 Y145D137-Q141 WeakPolarHBondContact O-CB 3.38Å; D137-Q141 VanDerWaalsContact O-CG 3.31Å; D137-Q141 WeakPolarHBondContact O-CG 3.33Å; D137-Q141 PolarHBondContact O-N 2.68Å; S138-Q141 PolarHBondContact O-N 3.47Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 2.96Å; Q141-N144 WeakPolarHBondContact O-CB 3.45Å; Q141-N144 PolarHBondContact O-N 3.22Å; Q141-N144 VanDerWaalsContact O-N 3.12Å; Q141-Y145 HydrophobicContact CB-CD2 4.37Å; Q141-Y145 HydrophobicContact CB-CE2 3.68Å; Q141-Y145 WeakPolarHBondContact O-CD2 3.24Å; Q141-Y145 PolarHBondContact O-N 3.38Å; Q141-Y145 PolarHBondContact OE1-OH 2.91Å; Q141-Y145 VanDerWaalsContact OE1-OH 3.13Å
142M88.6Confident88.8Confident21 Ų2136.8 Ų36.810%0.10319%0.191CC..Hα-helixtrans-57.5-45.4175.8-175.8-17565.800111.2S138 Y145 L146 F318 M321S138-M142 WeakPolarHBondContact O-CB 3.29Å; S138-M142 PolarHBondContact O-N 3.29Å; M142-Y145 PolarHBondContact O-N 3.12Å; M142-L146 HydrophobicContact CG-CD1 3.83Å; M142-L146 HydrophobicContact CG-CG 4.37Å; M142-L146 WeakPolarHBondContact O-CB 3.34Å; M142-L146 WeakPolarHBondContact O-CG 3.43Å; M142-L146 PolarHBondContact O-N 2.93Å; M142-L146 HydrophobicContact SD-CD1 4.39Å; M142-F318 HydrophobicContact SD-CE1 4.09Å; M142-F318 HydrophobicContact SD-CE2 4.39Å; M142-F318 HydrophobicContact SD-CZ 3.98Å; M142-M321 HydrophobicContact CE-CE 3.69Å; M142-M321 HydrophobicContact CE-SD 3.59Å; M142-M321 VanDerWaalsContact CE-SD 3.59Å; M142-M321 HydrophobicContact SD-CE 3.36Å; M142-M321 WeakPolarHBondContact SD-CE 3.2Å; M142-M321 HydrophobicContact SD-SD 3.98Å
143L84.8Confident88.6Confident40 Ų4036.2 Ų36.221%0.20919%0.188CC..Hα-helixtrans-61-44.3174.9-75.5179.7000112.6L11 W93 V139 N140 Q141 L146 A147L11-L143 HydrophobicContact CB-CD1 4.35Å; L11-L143 HydrophobicContact CD1-CD1 3.62Å; L11-L143 HydrophobicContact CD1-CD2 3.89Å; L11-L143 HydrophobicContact CD1-CG 4.12Å; L11-L143 HydrophobicContact CD2-CD1 3.18Å; L11-L143 HydrophobicContact CD2-CG 4.34Å; L11-L143 HydrophobicContact CG-CD1 3.82Å; W93-L143 HydrophobicContact CH2-CB 4.38Å; W93-L143 HydrophobicContact CH2-CD1 4.34Å; W93-L143 HydrophobicContact CZ2-CB 4.22Å; V139-L143 WeakPolarHBondContact O-CG 3.36Å; V139-L143 PolarHBondContact O-N 2.82Å; N140-L143 PolarHBondContact O-N 3Å; Q141-L143 VanDerWaalsContact C-N 3.3Å; Q141-L143 PolarHBondContact O-N 2.96Å; L143-L146 PolarHBondContact O-N 3.2Å; L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 3.15Å
144N87.4Confident88.5Confident40 Ų4036.7 Ų36.721%0.21419%0.19CC..Hα-helixtrans-59.7-46.9178-178.112.5000111.1N140 Q141 F148 N149N140-N144 WeakPolarHBondContact O-CB 3.31Å; N140-N144 PolarHBondContact O-N 3.42Å; Q141-N144 WeakPolarHBondContact O-CB 3.45Å; Q141-N144 PolarHBondContact O-N 3.22Å; Q141-N144 VanDerWaalsContact O-N 3.12Å; N144-F148 HydrophobicContact CB-CD2 4.37Å; N144-F148 WeakPolarHBondContact O-CB 3.37Å; N144-F148 PolarHBondContact O-N 2.98Å; N144-F148 VanDerWaalsContact OD1-CD2 3.23Å; N144-F148 WeakPolarHBondContact OD1-CD2 3.12Å; N144-N149 PolarHBondContact O-ND2 2.84Å
145Y88.9Confident88.4Confident30 Ų3035.5 Ų35.512%0.11819%0.191CC..Iπ-helixtrans-65.4-45.3178.7-57.2-36000112.4Q141 M142 N149 I150 Y310 L313 I314Q141-Y145 HydrophobicContact CB-CD2 4.37Å; Q141-Y145 HydrophobicContact CB-CE2 3.68Å; Q141-Y145 WeakPolarHBondContact O-CD2 3.24Å; Q141-Y145 PolarHBondContact O-N 3.38Å; Q141-Y145 PolarHBondContact OE1-OH 2.91Å; Q141-Y145 VanDerWaalsContact OE1-OH 3.13Å; M142-Y145 PolarHBondContact O-N 3.12Å; Y145-N149 WeakPolarHBondContact O-CB 3.06Å; Y145-N149 PolarHBondContact O-N 3.08Å; Y145-I150 PolarHBondContact O-N 2.78Å; Y145-Y310 AromaticContact CD1-CD1 3.42Å; Y145-Y310 HydrophobicContact CD1-CD1 3.42Å; Y145-Y310 VanDerWaalsContact CD1-CD1 3.42Å; Y145-Y310 AromaticContact CD1-CE1 3.53Å; Y145-Y310 HydrophobicContact CD1-CE1 3.53Å; Y145-Y310 HydrophobicContact CD1-CG 4.5Å; Y145-Y310 AromaticContact CE1-CD1 3.87Å; Y145-Y310 HydrophobicContact CE1-CD1 3.87Å; Y145-Y310 AromaticContact CE1-CE1 3.82Å; Y145-Y310 HydrophobicContact CE1-CE1 3.82Å; Y145-Y310 AromaticContact CG-CD1 3.87Å; Y145-Y310 HydrophobicContact CG-CD1 3.87Å; Y145-Y310 HydrophobicContact CG-CE1 4.41Å; Y145-L313 HydrophobicContact CD2-CB 4.1Å; Y145-L313 HydrophobicContact CE1-CD1 4.29Å; Y145-L313 HydrophobicContact CE2-CB 3.54Å; Y145-L313 HydrophobicContact CE2-CD1 3.98Å; Y145-L313 HydrophobicContact CE2-CG 4.3Å; Y145-I314 HydrophobicContact CD2-CG1 4.15Å
146L86.8Confident88.3Confident66 Ų6636.1 Ų36.135%0.34620%0.195SC..Iπ-helixtrans-66.8-52.2179.1-70.9173.1000111.7M142 L143 I150 V151 I314M142-L146 HydrophobicContact CG-CD1 3.83Å; M142-L146 HydrophobicContact CG-CG 4.37Å; M142-L146 WeakPolarHBondContact O-CB 3.34Å; M142-L146 WeakPolarHBondContact O-CG 3.43Å; M142-L146 PolarHBondContact O-N 2.93Å; M142-L146 HydrophobicContact SD-CD1 4.39Å; L143-L146 PolarHBondContact O-N 3.2Å; L146-I150 HydrophobicContact CD2-CD1 4.24Å; L146-V151 WeakPolarHBondContact O-CB 3.39Å; L146-V151 VanDerWaalsContact O-CG2 3.3Å; L146-V151 WeakPolarHBondContact O-CG2 3.36Å; L146-V151 PolarHBondContact O-N 3.22Å; L146-I314 HydrophobicContact CD2-CD1 4.39Å
147A84Confident88.3Confident36 Ų3636.8 Ų36.830%0.29820%0.198SC..Iπ-helixtrans-73.9-40-172.200000113.1L30 L143 P152L30-A147 VanDerWaalsContact CD1-O 3.31Å; L30-A147 WeakPolarHBondContact CD1-O 3.3Å; L143-A147 WeakPolarHBondContact O-CB 3.38Å; L143-A147 PolarHBondContact O-N 3.15Å; A147-P152 VanDerWaalsContact O-CD 3.24Å; A147-P152 WeakPolarHBondContact O-CD 3.43Å; A147-P152 VanDerWaalsContact O-CG 3.25Å; A147-P152 WeakPolarHBondContact O-CG 3.35Å
148F84.5Confident88.3Confident6 Ų637 Ų373%0.02620%0.199CC..Iπ-helixtrans-104.1-14.9-170.9-56.6-55.4000115V26 L30 R89 W93 N144V26-F148 HydrophobicContact CG1-CE1 3.42Å; V26-F148 VanDerWaalsContact CG1-CE1 3.42Å; V26-F148 HydrophobicContact CG1-CZ 3.41Å; V26-F148 VanDerWaalsContact CG1-CZ 3.41Å; L30-F148 HydrophobicContact CD1-CD1 3.66Å; L30-F148 HydrophobicContact CD1-CE1 4.04Å; R89-F148 HydrophobicContact CG-CE1 4.4Å; W93-F148 HydrophobicContact CB-CZ 4.49Å; W93-F148 AromaticContact CD2-CE2 3.5Å; W93-F148 HydrophobicContact CD2-CE2 3.5Å; W93-F148 AromaticContact CD2-CZ 3.71Å; W93-F148 HydrophobicContact CD2-CZ 3.71Å; W93-F148 AromaticContact CE2-CE2 3.65Å; W93-F148 AromaticContact CE3-CE2 3.89Å; W93-F148 HydrophobicContact CE3-CE2 3.89Å; W93-F148 AromaticContact CE3-CZ 3.65Å; W93-F148 HydrophobicContact CE3-CZ 3.65Å; W93-F148 AromaticContact CG-CE2 3.77Å; W93-F148 HydrophobicContact CG-CE2 3.77Å; W93-F148 HydrophobicContact CG-CZ 4.08Å; W93-F148 HydrophobicContact CH2-CE2 4.45Å; W93-F148 HydrophobicContact CZ2-CE2 4.14Å; W93-F148 HydrophobicContact CZ3-CE2 4.34Å; W93-F148 HydrophobicContact CZ3-CZ 4.13Å; W93-F148 AromaticContact NE1-CE2 3.97Å; N144-F148 HydrophobicContact CB-CD2 4.37Å; N144-F148 WeakPolarHBondContact O-CB 3.37Å; N144-F148 PolarHBondContact O-N 2.98Å; N144-F148 VanDerWaalsContact OD1-CD2 3.23Å; N144-F148 WeakPolarHBondContact OD1-CD2 3.12Å
149N86.7Confident88.3Confident35 Ų3540.2 Ų40.219%0.18721%0.214CC..Iπ-helixtrans-119.3-62.9-178.5-59.9-72.4000111.8N144 Y145 P152 T153 Y310N144-N149 PolarHBondContact O-ND2 2.84Å; Y145-N149 WeakPolarHBondContact O-CB 3.06Å; Y145-N149 PolarHBondContact O-N 3.08Å; N149-P152 WeakPolarHBondContact O-CD 3.45Å; N149-T153 VanDerWaalsContact O-CB 3.25Å; N149-T153 WeakPolarHBondContact O-CB 3.36Å; N149-T153 PolarHBondContact O-N 2.9Å; N149-T153 PolarHBondContact O-OG1 2.65Å; N149-Y310 HydrophobicContact CB-CD2 4.09Å; N149-Y310 HydrophobicContact CB-CE2 3.61Å; N149-Y310 PolarHBondContact OD1-OH 3.36Å
150I88.4Confident88.3Confident33 Ų3340.2 Ų40.217%0.16921%0.214CC..Iπ-helixtrans-68.2-56.1-171.2-65-179.1000112.4Y145 L146 T153 I154 L307 I314Y145-I150 PolarHBondContact O-N 2.78Å; L146-I150 HydrophobicContact CD2-CD1 4.24Å; I150-T153 PolarHBondContact O-N 3.12Å; I150-I154 HydrophobicContact CG2-CD1 3.79Å; I150-I154 HydrophobicContact CG2-CG1 4.48Å; I150-I154 WeakPolarHBondContact O-CG1 3.45Å; I150-I154 PolarHBondContact O-N 3.43Å; I150-L307 HydrophobicContact CG1-CD1 4.06Å; I150-I314 HydrophobicContact CD1-CD1 3.17Å; I150-I314 HydrophobicContact CG1-CD1 4.5Å
151V88.5Confident88.5Confident76 Ų7641.3 Ų41.346%0.46122%0.221SC..Hα-helixtrans-58.7-47.5-178.5170.70000110.9L146 T153 I154 L155L146-V151 WeakPolarHBondContact O-CB 3.39Å; L146-V151 VanDerWaalsContact O-CG2 3.3Å; L146-V151 WeakPolarHBondContact O-CG2 3.36Å; L146-V151 PolarHBondContact O-N 3.22Å; V151-T153 PolarHBondContact O-N 3.14Å; V151-I154 PolarHBondContact O-N 2.92Å; V151-L155 HydrophobicContact CG1-CD1 4.1Å; V151-L155 WeakPolarHBondContact O-CG 3.27Å; V151-L155 PolarHBondContact O-N 3.38Å
152P87.2Confident88.7Confident1 Ų142.2 Ų42.21%0.00623%0.231CC..Hα-helixtrans-62.8-37.3176.2-24.535.9000114L30 R34 A147 N149 L155 D156L30-P152 HydrophobicContact CD1-CG 4.16Å; L30-P152 HydrophobicContact CD2-CG 4.16Å; L30-P152 HydrophobicContact CG-CG 4.42Å; R34-P152 VanDerWaalsContact CZ-CB 3.47Å; A147-P152 VanDerWaalsContact O-CD 3.24Å; A147-P152 WeakPolarHBondContact O-CD 3.43Å; A147-P152 VanDerWaalsContact O-CG 3.25Å; A147-P152 WeakPolarHBondContact O-CG 3.35Å; N149-P152 WeakPolarHBondContact O-CD 3.45Å; P152-L155 PolarHBondContact O-N 3.46Å; P152-D156 WeakPolarHBondContact O-CB 3.22Å; P152-D156 PolarHBondContact O-N 3.33Å
153T88.7Confident88.8Confident7 Ų743 Ų434%0.04323%0.233CC..Hα-helixtrans-65.4-41.6178.2-57.70000111.6N149 I150 V151 L155 D156 I157 P303 L304N149-T153 VanDerWaalsContact O-CB 3.25Å; N149-T153 WeakPolarHBondContact O-CB 3.36Å; N149-T153 PolarHBondContact O-N 2.9Å; N149-T153 PolarHBondContact O-OG1 2.65Å; I150-T153 PolarHBondContact O-N 3.12Å; V151-T153 PolarHBondContact O-N 3.14Å; T153-L155 VanDerWaalsContact C-N 3.33Å; T153-D156 PolarHBondContact O-N 2.92Å; T153-I157 HydrophobicContact CG2-CD1 4.11Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.44Å; T153-I157 PolarHBondContact O-N 3.16Å; T153-P303 HydrophobicContact CG2-CB 4.24Å; T153-P303 HydrophobicContact CG2-CG 4.04Å; T153-P303 WeakPolarHBondContact OG1-CB 3.14Å; T153-L304 HydrophobicContact CG2-CD2 4.15Å; T153-L304 HydrophobicContact CG2-CG 4.12Å
154I90.2Very high89.1Confident94 Ų9441 Ų4148%0.48222%0.223SC..Hα-helixtrans-62.6-43.7175.4-66.5169.8000110.1I150 V151 I157 L158I150-I154 HydrophobicContact CG2-CD1 3.79Å; I150-I154 HydrophobicContact CG2-CG1 4.48Å; I150-I154 WeakPolarHBondContact O-CG1 3.45Å; I150-I154 PolarHBondContact O-N 3.43Å; V151-I154 PolarHBondContact O-N 2.92Å; I154-I157 PolarHBondContact O-N 3.02Å; I154-L158 HydrophobicContact CG2-CD1 4.15Å; I154-L158 VanDerWaalsContact O-CG 3.32Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 2.96Å
155L90.5Very high89.2Confident86 Ų8641.7 Ų41.745%0.4523%0.23SC..Hα-helixtrans-62.1-44.1175.9-69.5174000112V151 P152 T153 I157 L158 I159V151-L155 HydrophobicContact CG1-CD1 4.1Å; V151-L155 WeakPolarHBondContact O-CG 3.27Å; V151-L155 PolarHBondContact O-N 3.38Å; P152-L155 PolarHBondContact O-N 3.46Å; T153-L155 VanDerWaalsContact C-N 3.33Å; L155-I157 VanDerWaalsContact C-N 3.33Å; L155-I157 PolarHBondContact O-N 3.11Å; L155-L158 PolarHBondContact O-N 3.48Å; L155-I159 WeakPolarHBondContact O-CB 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.44Å; L155-I159 PolarHBondContact O-N 3.4Å
156D88.9Confident89.3Confident13 Ų1347 Ų477%0.0726%0.26CS..Hα-helixtrans-61.4-41178.3-71.4-16.9000111.6R34 P152 T153 I159 A160 L300R34-D156 WeakPolarHBondContact CD-OD1 3.14Å; R34-D156 IonicContact CZ-OD2 3.22Å; R34-D156 IonicContact NE-OD2 3.47Å; R34-D156 IonicContact NH1-OD2 2.79Å; R34-D156 PolarHBondContact NH1-OD2 3.43Å; P152-D156 WeakPolarHBondContact O-CB 3.22Å; P152-D156 PolarHBondContact O-N 3.33Å; T153-D156 PolarHBondContact O-N 2.92Å; D156-I159 PolarHBondContact O-N 2.94Å; D156-A160 VanDerWaalsContact O-CB 3.29Å; D156-A160 WeakPolarHBondContact O-CB 3.15Å; D156-A160 PolarHBondContact O-N 3.32Å; D156-L300 HydrophobicContact CB-CD2 4.01Å
157I90.2Very high89.2Confident20 Ų2046.7 Ų46.710%0.10326%0.262CS..Hα-helixtrans-63.3-46.1174.9-67.1164.9000110.7T153 I154 L155 A160 V161 M180 L300 L304T153-I157 HydrophobicContact CG2-CD1 4.11Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.44Å; T153-I157 PolarHBondContact O-N 3.16Å; I154-I157 PolarHBondContact O-N 3.02Å; L155-I157 VanDerWaalsContact C-N 3.33Å; L155-I157 PolarHBondContact O-N 3.11Å; I157-A160 PolarHBondContact O-N 3.3Å; I157-V161 HydrophobicContact CG2-CG2 4.45Å; I157-V161 VanDerWaalsContact O-CG2 3.3Å; I157-V161 WeakPolarHBondContact O-CG2 3.35Å; I157-V161 PolarHBondContact O-N 2.79Å; I157-M180 HydrophobicContact CG2-CB 4.32Å; I157-M180 HydrophobicContact CG2-CG 4.36Å; I157-L300 HydrophobicContact CG1-CD2 4.35Å; I157-L304 HydrophobicContact CD1-CD1 4.32Å; I157-L304 HydrophobicContact CD1-CD2 4.25Å
158L91.9Very high89.1Confident99 Ų9946 Ų4652%0.51825%0.253SS..Hα-helixtrans-62.5-45.3178.6-70.6173.1000111.5I154 L155 A160 V161 V162I154-L158 HydrophobicContact CG2-CD1 4.15Å; I154-L158 VanDerWaalsContact O-CG 3.32Å; I154-L158 WeakPolarHBondContact O-CG 3.48Å; I154-L158 PolarHBondContact O-N 2.96Å; L155-L158 PolarHBondContact O-N 3.48Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 3.25Å; L158-V161 PolarHBondContact O-N 2.65Å; L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.83Å
159I91.3Very high89.1Confident75 Ų7547.3 Ų47.339%0.38526%0.26SS..Hα-helixtrans-60.5-45176.8-68.7164.6000110.2V38 L155 D156 V162 Y163V38-I159 HydrophobicContact CG2-CG2 4.2Å; L155-I159 WeakPolarHBondContact O-CB 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.44Å; L155-I159 PolarHBondContact O-N 3.4Å; D156-I159 PolarHBondContact O-N 2.94Å; I159-V162 PolarHBondContact O-N 3.16Å; I159-Y163 VanDerWaalsContact O-CB 3.23Å; I159-Y163 WeakPolarHBondContact O-CB 3.33Å; I159-Y163 PolarHBondContact O-N 3.06Å
160A90.4Very high89.2Confident0 Ų052.1 Ų52.10%028%0.277CS..Hα-helixtrans-63.7-44.6179.100000112.7D156 I157 L158 Y163 F164 Y296 L300D156-A160 VanDerWaalsContact O-CB 3.29Å; D156-A160 WeakPolarHBondContact O-CB 3.15Å; D156-A160 PolarHBondContact O-N 3.32Å; I157-A160 PolarHBondContact O-N 3.3Å; L158-A160 VanDerWaalsContact C-N 3.34Å; L158-A160 PolarHBondContact O-N 3.25Å; A160-Y163 PolarHBondContact O-N 2.88Å; A160-F164 WeakPolarHBondContact O-CD2 3.43Å; A160-F164 PolarHBondContact O-N 3.33Å; A160-Y296 HydrophobicContact CB-CD2 4.13Å; A160-Y296 HydrophobicContact CB-CE2 3.54Å; A160-L300 HydrophobicContact CB-CD1 3.55Å; A160-L300 HydrophobicContact CB-CD2 4.08Å; A160-L300 HydrophobicContact CB-CG 4.36Å
161V91.9Very high89.4Confident24 Ų2454.4 Ų54.415%0.14529%0.287CS..Hα-helixtrans-61.5-46.9177.9171.10000110.5I157 L158 Y163 F164 C165 V176 L177I157-V161 HydrophobicContact CG2-CG2 4.45Å; I157-V161 VanDerWaalsContact O-CG2 3.3Å; I157-V161 WeakPolarHBondContact O-CG2 3.35Å; I157-V161 PolarHBondContact O-N 2.79Å; L158-V161 PolarHBondContact O-N 2.65Å; V161-Y163 VanDerWaalsContact C-N 3.34Å; V161-Y163 PolarHBondContact O-N 2.87Å; V161-F164 PolarHBondContact O-N 3.07Å; V161-C165 WeakPolarHBondContact O-CB 3.41Å; V161-C165 PolarHBondContact O-N 3.28Å; V161-C165 PolarHBondContact O-SG 3.14Å; V161-V176 HydrophobicContact CG2-CG1 4.12Å; V161-L177 HydrophobicContact CG2-CB 4.15Å; V161-L177 HydrophobicContact CG2-CD1 4.36Å
162V92.6Very high89.6Confident84 Ų8450.8 Ų50.851%0.50927%0.265SS..Hα-helixtrans-61-44.4176.1172.40000110.8L158 I159 C165 L166L158-V162 VanDerWaalsContact O-CG2 3.31Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 2.83Å; I159-V162 PolarHBondContact O-N 3.16Å; V162-C165 PolarHBondContact O-N 3.05Å; V162-L166 HydrophobicContact CG1-CD1 3.76Å; V162-L166 HydrophobicContact CG1-CG 4.37Å; V162-L166 WeakPolarHBondContact O-CB 3.45Å; V162-L166 WeakPolarHBondContact O-CG 3.5Å; V162-L166 PolarHBondContact O-N 3.35Å
163Y91.1Very high89.8Confident37 Ų3750.8 Ų50.815%0.14527%0.266CS..Hα-helixtrans-60-48179.1176.5-97.1000112.5L42 I159 A160 V161 L166 S167 F168 L292 Y296L42-Y163 HydrophobicContact CD2-CD2 4.47Å; L42-Y163 HydrophobicContact CD2-CE1 4.22Å; L42-Y163 HydrophobicContact CD2-CE2 3.52Å; L42-Y163 WeakPolarHBondContact CD2-OH 3.44Å; I159-Y163 VanDerWaalsContact O-CB 3.23Å; I159-Y163 WeakPolarHBondContact O-CB 3.33Å; I159-Y163 PolarHBondContact O-N 3.06Å; A160-Y163 PolarHBondContact O-N 2.88Å; V161-Y163 VanDerWaalsContact C-N 3.34Å; V161-Y163 PolarHBondContact O-N 2.87Å; Y163-L166 PolarHBondContact O-N 3.25Å; Y163-S167 VanDerWaalsContact CE2-OG 3.23Å; Y163-S167 WeakPolarHBondContact CE2-OG 3.41Å; Y163-S167 VanDerWaalsContact O-CB 3.27Å; Y163-S167 WeakPolarHBondContact O-CB 3.16Å; Y163-S167 PolarHBondContact O-N 3.12Å; Y163-S167 PolarHBondContact O-OG 2.97Å; Y163-F168 HydrophobicContact CE1-CD2 4.44Å; Y163-F168 HydrophobicContact CE1-CE2 4.08Å; Y163-L292 HydrophobicContact CE1-CD2 4.06Å; Y163-L292 WeakPolarHBondContact OH-CD2 3.4Å; Y163-Y296 HydrophobicContact CD1-CD1 4.36Å; Y163-Y296 HydrophobicContact CD1-CE1 4.01Å; Y163-Y296 HydrophobicContact CE1-CE1 4.46Å; Y163-Y296 HydrophobicContact CG-CE1 4.48Å
164F91Very high90Very high0 Ų055.1 Ų55.10%029%0.288CS..Hα-helixtrans-69.1-34.4178.9-78.7-63.7000112.9A160 V161 F168 N169 F172 V176 Y293 Y296A160-F164 WeakPolarHBondContact O-CD2 3.43Å; A160-F164 PolarHBondContact O-N 3.33Å; V161-F164 PolarHBondContact O-N 3.07Å; F164-F168 HydrophobicContact CD1-CB 4.37Å; F164-F168 HydrophobicContact CD1-CD1 4.12Å; F164-F168 AromaticContact CD1-CD2 3.87Å; F164-F168 HydrophobicContact CD1-CD2 3.87Å; F164-F168 HydrophobicContact CD1-CE1 4.45Å; F164-F168 HydrophobicContact CD1-CE2 4.21Å; F164-F168 AromaticContact CD1-CG 3.88Å; F164-F168 HydrophobicContact CD1-CG 3.88Å; F164-F168 HydrophobicContact CD1-CZ 4.5Å; F164-F168 HydrophobicContact CE1-CD1 4.31Å; F164-F168 HydrophobicContact CE1-CD2 4.24Å; F164-F168 HydrophobicContact CE1-CE1 4.18Å; F164-F168 HydrophobicContact CE1-CE2 4.1Å; F164-F168 HydrophobicContact CE1-CG 4.39Å; F164-F168 HydrophobicContact CE1-CZ 4.09Å; F164-F168 WeakPolarHBondContact O-CB 3.4Å; F164-F168 PolarHBondContact O-N 3.39Å; F164-N169 PolarHBondContact O-N 2.85Å; F164-F172 HydrophobicContact CB-CB 4.06Å; F164-F172 HydrophobicContact CD1-CB 4.16Å; F164-F172 HydrophobicContact CG-CB 4.34Å; F164-V176 HydrophobicContact CD2-CG2 3.88Å; F164-V176 HydrophobicContact CE2-CG2 4.1Å; F164-Y293 HydrophobicContact CD1-CD2 4.47Å; F164-Y293 AromaticContact CE1-CD2 3.77Å; F164-Y293 HydrophobicContact CE1-CD2 3.77Å; F164-Y293 AromaticContact CZ-CD2 3.89Å; F164-Y293 HydrophobicContact CZ-CD2 3.89Å; F164-Y296 HydrophobicContact CE2-CD1 4.18Å; F164-Y296 HydrophobicContact CE2-CG 4.06Å; F164-Y296 HydrophobicContact CZ-CD1 4.15Å; F164-Y296 HydrophobicContact CZ-CG 4.16Å
165C90.6Very high90.2Very high54 Ų5452.3 Ų52.337%0.36527%0.274SS..Hα-helixtrans-63.5-40.2173.5-75.90000112.5V161 V162V161-C165 WeakPolarHBondContact O-CB 3.41Å; V161-C165 PolarHBondContact O-N 3.28Å; V161-C165 PolarHBondContact O-SG 3.14Å; V162-C165 PolarHBondContact O-N 3.05Å
166L89.2Confident90.3Very high142 Ų14248.2 Ų48.274%0.74325%0.252SS*.Hα-helixtrans-85.8-42.4-176.1-65.9177.1000113.7V162 Y163V162-L166 HydrophobicContact CG1-CD1 3.76Å; V162-L166 HydrophobicContact CG1-CG 4.37Å; V162-L166 WeakPolarHBondContact O-CB 3.45Å; V162-L166 WeakPolarHBondContact O-CG 3.5Å; V162-L166 PolarHBondContact O-N 3.35Å; Y163-L166 PolarHBondContact O-N 3.25Å
167S84.5Confident90.5Very high58 Ų5851.2 Ų51.241%0.40627%0.268SS..Hα-helixtrans-91.1-24.7-171-58.70000113.7Y163Y163-S167 VanDerWaalsContact CE2-OG 3.23Å; Y163-S167 WeakPolarHBondContact CE2-OG 3.41Å; Y163-S167 VanDerWaalsContact O-CB 3.27Å; Y163-S167 WeakPolarHBondContact O-CB 3.16Å; Y163-S167 PolarHBondContact O-N 3.12Å; Y163-S167 PolarHBondContact O-OG 2.97Å
168F81.8Confident90.7Very high23 Ų2357.7 Ų57.710%0.10130%0.296CS..THydrogen-bonded Turntrans-112.3-98.7-177.7-77.2-127.7000109Y163 F164 F172 F285 D289 L292Y163-F168 HydrophobicContact CE1-CD2 4.44Å; Y163-F168 HydrophobicContact CE1-CE2 4.08Å; F164-F168 HydrophobicContact CD1-CB 4.37Å; F164-F168 HydrophobicContact CD1-CD1 4.12Å; F164-F168 AromaticContact CD1-CD2 3.87Å; F164-F168 HydrophobicContact CD1-CD2 3.87Å; F164-F168 HydrophobicContact CD1-CE1 4.45Å; F164-F168 HydrophobicContact CD1-CE2 4.21Å; F164-F168 AromaticContact CD1-CG 3.88Å; F164-F168 HydrophobicContact CD1-CG 3.88Å; F164-F168 HydrophobicContact CD1-CZ 4.5Å; F164-F168 HydrophobicContact CE1-CD1 4.31Å; F164-F168 HydrophobicContact CE1-CD2 4.24Å; F164-F168 HydrophobicContact CE1-CE1 4.18Å; F164-F168 HydrophobicContact CE1-CE2 4.1Å; F164-F168 HydrophobicContact CE1-CG 4.39Å; F164-F168 HydrophobicContact CE1-CZ 4.09Å; F164-F168 WeakPolarHBondContact O-CB 3.4Å; F164-F168 PolarHBondContact O-N 3.39Å; F168-F172 HydrophobicContact CB-CB 4.34Å; F168-F172 HydrophobicContact CB-CD2 3.72Å; F168-F172 HydrophobicContact CB-CE2 4.35Å; F168-F172 HydrophobicContact CB-CG 4.23Å; F168-F172 HydrophobicContact CD1-CD1 4.48Å; F168-F172 AromaticContact CD1-CD2 3.97Å; F168-F172 HydrophobicContact CD1-CD2 3.97Å; F168-F172 HydrophobicContact CD1-CE2 4.06Å; F168-F172 HydrophobicContact CD1-CG 4.17Å; F168-F172 HydrophobicContact CD1-CZ 4.38Å; F168-F172 HydrophobicContact CG-CD2 4.35Å; F168-F285 HydrophobicContact CB-CZ 3.91Å; F168-F285 HydrophobicContact CD1-CD1 4.48Å; F168-F285 AromaticContact CD1-CE1 3.26Å; F168-F285 HydrophobicContact CD1-CE1 3.26Å; F168-F285 AromaticContact CD1-CZ 3.49Å; F168-F285 HydrophobicContact CD1-CZ 3.49Å; F168-F285 VanDerWaalsContact CD1-CZ 3.49Å; F168-F285 HydrophobicContact CE1-CD1 4.45Å; F168-F285 AromaticContact CE1-CE1 3.56Å; F168-F285 HydrophobicContact CE1-CE1 3.56Å; F168-F285 HydrophobicContact CE1-CZ 4.2Å; F168-F285 HydrophobicContact CG-CE1 4.1Å; F168-F285 AromaticContact CG-CZ 3.88Å; F168-F285 HydrophobicContact CG-CZ 3.88Å; F168-D289 HydrophobicContact CE1-CB 3.99Å; F168-D289 HydrophobicContact CZ-CB 3.95Å; F168-L292 HydrophobicContact CE2-CD2 3.65Å; F168-L292 HydrophobicContact CZ-CD2 3.68Å; F168-L292 HydrophobicContact CZ-CG 4.35Å
169N85.5Confident90.8Very high32 Ų3253.6 Ų53.617%0.17128%0.275CS..  trans-155145.3179.2-177.6-50.7000106.3F164 M171 F172F164-N169 PolarHBondContact O-N 2.85Å; N169-M171 PolarHBondContact O-N 3.41Å; N169-M171 PolarHBondContact OD1-N 3.18Å; N169-F172 HydrophobicContact CB-CD2 4.08Å; N169-F172 PolarHBondContact O-N 3.22Å
170Y89.8Confident90.8Very high137 Ų13750.5 Ų50.554%0.53726%0.259SS..Hα-helixtrans-51-29.317873-91.2000113.3F172 G173 L174Y170-F172 VanDerWaalsContact C-N 3.32Å; Y170-F172 PolarHBondContact O-N 3.23Å; Y170-G173 PolarHBondContact O-N 2.67Å; Y170-L174 HydrophobicContact CD2-CD1 3.88Å; Y170-L174 HydrophobicContact CE2-CD1 4.26Å; Y170-L174 WeakPolarHBondContact O-CG 3.36Å; Y170-L174 PolarHBondContact O-N 3.31Å
171M92.1Very high90.9Very high80 Ų8054 Ų5439%0.39428%0.28SS..Hα-helixtrans-58.9-39.1175.1-68.6-170.7177.500113.1N169 L174 I175 L273N169-M171 PolarHBondContact O-N 3.41Å; N169-M171 PolarHBondContact OD1-N 3.18Å; M171-L174 PolarHBondContact O-N 3.33Å; M171-I175 VanDerWaalsContact O-CG1 3.3Å; M171-I175 WeakPolarHBondContact O-CG1 3.39Å; M171-I175 PolarHBondContact O-N 3.01Å; M171-L273 HydrophobicContact CB-CD2 3.96Å
172F91.3Very high91Very high0 Ų053.6 Ų53.60%028%0.279CS..Hα-helixtrans-66.7-42.3176-73.8-79.1000111.5F164 F168 N169 Y170 L174 I175 V176 L273 C274 F277 F285 Y293F164-F172 HydrophobicContact CB-CB 4.06Å; F164-F172 HydrophobicContact CD1-CB 4.16Å; F164-F172 HydrophobicContact CG-CB 4.34Å; F168-F172 HydrophobicContact CB-CB 4.34Å; F168-F172 HydrophobicContact CB-CD2 3.72Å; F168-F172 HydrophobicContact CB-CE2 4.35Å; F168-F172 HydrophobicContact CB-CG 4.23Å; F168-F172 HydrophobicContact CD1-CD1 4.48Å; F168-F172 AromaticContact CD1-CD2 3.97Å; F168-F172 HydrophobicContact CD1-CD2 3.97Å; F168-F172 HydrophobicContact CD1-CE2 4.06Å; F168-F172 HydrophobicContact CD1-CG 4.17Å; F168-F172 HydrophobicContact CD1-CZ 4.38Å; F168-F172 HydrophobicContact CG-CD2 4.35Å; N169-F172 HydrophobicContact CB-CD2 4.08Å; N169-F172 PolarHBondContact O-N 3.22Å; Y170-F172 VanDerWaalsContact C-N 3.32Å; Y170-F172 PolarHBondContact O-N 3.23Å; F172-L174 VanDerWaalsContact C-N 3.31Å; F172-L174 PolarHBondContact O-N 3.27Å; F172-I175 PolarHBondContact O-N 3.49Å; F172-V176 WeakPolarHBondContact O-CG2 3.48Å; F172-V176 PolarHBondContact O-N 3.23Å; F172-L273 HydrophobicContact CD1-CD2 4.17Å; F172-L273 HydrophobicContact CD2-CD2 4.15Å; F172-L273 HydrophobicContact CE1-CB 4.11Å; F172-L273 HydrophobicContact CE1-CD2 3.88Å; F172-L273 HydrophobicContact CE1-CG 4.09Å; F172-L273 HydrophobicContact CE2-CD2 3.89Å; F172-L273 HydrophobicContact CE2-CG 4.16Å; F172-L273 HydrophobicContact CG-CD2 4.3Å; F172-L273 HydrophobicContact CZ-CB 4.11Å; F172-L273 HydrophobicContact CZ-CD2 3.74Å; F172-L273 HydrophobicContact CZ-CG 3.71Å; F172-C274 HydrophobicContact CE1-CB 4.3Å; F172-C274 WeakPolarHBondContact CE1-SG 3.34Å; F172-C274 HydrophobicContact CZ-CB 4.31Å; F172-C274 WeakPolarHBondContact CZ-SG 3.46Å; F172-F277 AromaticContact CE2-CD2 3.64Å; F172-F277 HydrophobicContact CE2-CD2 3.64Å; F172-F277 AromaticContact CE2-CE2 3.61Å; F172-F277 HydrophobicContact CE2-CE2 3.61Å; F172-F277 AromaticContact CZ-CD2 3.82Å; F172-F277 HydrophobicContact CZ-CD2 3.82Å; F172-F277 HydrophobicContact CZ-CE2 4.1Å; F172-F285 AromaticContact CE2-CE1 3.95Å; F172-F285 HydrophobicContact CE2-CE1 3.95Å; F172-F285 AromaticContact CE2-CZ 3.83Å; F172-F285 HydrophobicContact CE2-CZ 3.83Å; F172-F285 HydrophobicContact CZ-CE1 4.13Å; F172-F285 HydrophobicContact CZ-CZ 4.47Å; F172-Y293 AromaticContact CD1-CD2 3.92Å; F172-Y293 HydrophobicContact CD1-CD2 3.92Å; F172-Y293 AromaticContact CD1-CE2 3.81Å; F172-Y293 HydrophobicContact CD1-CE2 3.81Å; F172-Y293 HydrophobicContact CE1-CD2 4.39Å; F172-Y293 HydrophobicContact CE1-CE2 4.44Å
173G91.3Very high91Very high1 Ų149.7 Ų49.71%0.0126%0.255CS..Hα-helixtrans-60.4-40175.300000112.4Y170 V176 L177Y170-G173 PolarHBondContact O-N 2.67Å; G173-V176 PolarHBondContact O-N 3.11Å; G173-L177 VanDerWaalsContact O-CB 3.29Å; G173-L177 WeakPolarHBondContact O-CB 3.4Å; G173-L177 PolarHBondContact O-N 2.98Å
174L93.8Very high91Very high98 Ų9850.5 Ų50.551%0.51326%0.262SS..Hα-helixtrans-67.3-41.6175.3-71.6176.7000112.9Y170 M171 F172 V176 L177 F178Y170-L174 HydrophobicContact CD2-CD1 3.88Å; Y170-L174 HydrophobicContact CE2-CD1 4.26Å; Y170-L174 WeakPolarHBondContact O-CG 3.36Å; Y170-L174 PolarHBondContact O-N 3.31Å; M171-L174 PolarHBondContact O-N 3.33Å; F172-L174 VanDerWaalsContact C-N 3.31Å; F172-L174 PolarHBondContact O-N 3.27Å; L174-V176 VanDerWaalsContact C-N 3.34Å; L174-L177 PolarHBondContact O-N 2.61Å; L174-F178 WeakPolarHBondContact O-CB 3.46Å; L174-F178 PolarHBondContact O-N 3.5Å
175I93.9Very high91Very high35 Ų3553.9 Ų53.918%0.17928%0.282CS..Hα-helixtrans-60.2-47.1175.3-69.4163.7000110M171 F172 T179 A269 L273M171-I175 VanDerWaalsContact O-CG1 3.3Å; M171-I175 WeakPolarHBondContact O-CG1 3.39Å; M171-I175 PolarHBondContact O-N 3.01Å; F172-I175 PolarHBondContact O-N 3.49Å; I175-T179 VanDerWaalsContact O-CB 3.28Å; I175-T179 WeakPolarHBondContact O-CB 3.45Å; I175-T179 PolarHBondContact O-N 3.4Å; I175-T179 PolarHBondContact O-OG1 3.5Å; I175-A269 HydrophobicContact CG2-CB 4.43Å; I175-L273 HydrophobicContact CD1-CD2 3.78Å
176V92.6Very high91.1Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-62-49.7177.61730000110.2V161 F164 F172 G173 L174 F178 T179 M180 Y293 I297 L300V161-V176 HydrophobicContact CG2-CG1 4.12Å; F164-V176 HydrophobicContact CD2-CG2 3.88Å; F164-V176 HydrophobicContact CE2-CG2 4.1Å; F172-V176 WeakPolarHBondContact O-CG2 3.48Å; F172-V176 PolarHBondContact O-N 3.23Å; G173-V176 PolarHBondContact O-N 3.11Å; L174-V176 VanDerWaalsContact C-N 3.34Å; V176-F178 PolarHBondContact O-N 3.19Å; V176-T179 PolarHBondContact O-N 2.92Å; V176-M180 HydrophobicContact CG1-CE 4.47Å; V176-M180 HydrophobicContact CG1-CG 4.19Å; V176-M180 WeakPolarHBondContact O-CB 3.13Å; V176-M180 WeakPolarHBondContact O-CG 3.47Å; V176-M180 PolarHBondContact O-N 3.23Å; V176-Y293 HydrophobicContact CG2-CE2 4.3Å; V176-I297 HydrophobicContact CG2-CD1 4.21Å; V176-I297 HydrophobicContact CG2-CG1 4.37Å; V176-L300 HydrophobicContact CG1-CD1 4.22Å
177L93.5Very high91.2Very high77 Ų7749.3 Ų49.340%0.40325%0.251SS..Hα-helixtrans-56.6-50179-178.767000111.7V161 G173 L174 M180 V181V161-L177 HydrophobicContact CG2-CB 4.15Å; V161-L177 HydrophobicContact CG2-CD1 4.36Å; G173-L177 VanDerWaalsContact O-CB 3.29Å; G173-L177 WeakPolarHBondContact O-CB 3.4Å; G173-L177 PolarHBondContact O-N 2.98Å; L174-L177 PolarHBondContact O-N 2.61Å; L177-M180 PolarHBondContact O-N 2.93Å; L177-V181 HydrophobicContact CD1-CG2 4.19Å; L177-V181 HydrophobicContact CG-CG2 4.48Å; L177-V181 WeakPolarHBondContact O-CB 3.28Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.34Å
178F94.5Very high91.4Very high156 Ų15648.9 Ų48.968%0.68425%0.245SC*.Hα-helixtrans-65.2-42.9-178.8-172.6-97000111.9L174 V176 M180 V181 A182L174-F178 WeakPolarHBondContact O-CB 3.46Å; L174-F178 PolarHBondContact O-N 3.5Å; V176-F178 PolarHBondContact O-N 3.19Å; F178-M180 VanDerWaalsContact C-N 3.35Å; F178-M180 PolarHBondContact O-N 3.3Å; F178-V181 PolarHBondContact O-N 3.21Å; F178-A182 WeakPolarHBondContact O-CB 3.4Å; F178-A182 PolarHBondContact O-N 3.19Å
179T93.5Very high91.8Very high13 Ų1352.6 Ų52.68%0.0827%0.266CS..Hα-helixtrans-61.1-45177.2-54.70000110.7I175 V176 Y183 V262 G266I175-T179 VanDerWaalsContact O-CB 3.28Å; I175-T179 WeakPolarHBondContact O-CB 3.45Å; I175-T179 PolarHBondContact O-N 3.4Å; I175-T179 PolarHBondContact O-OG1 3.5Å; V176-T179 PolarHBondContact O-N 2.92Å; T179-Y183 WeakPolarHBondContact O-CB 3.13Å; T179-Y183 PolarHBondContact O-N 3.01Å; T179-V262 HydrophobicContact CG2-CG1 4.1Å; T179-G266 WeakPolarHBondContact OG1-CA 3.39Å
180M92.2Very high92.1Very high9 Ų952.2 Ų52.24%0.04426%0.264CS..Hα-helixtrans-69.1-42.5-179.8-64.2-56.7163.600112I157 V176 L177 F178 Y183 L184 L300 L304I157-M180 HydrophobicContact CG2-CB 4.32Å; I157-M180 HydrophobicContact CG2-CG 4.36Å; V176-M180 HydrophobicContact CG1-CE 4.47Å; V176-M180 HydrophobicContact CG1-CG 4.19Å; V176-M180 WeakPolarHBondContact O-CB 3.13Å; V176-M180 WeakPolarHBondContact O-CG 3.47Å; V176-M180 PolarHBondContact O-N 3.23Å; L177-M180 PolarHBondContact O-N 2.93Å; F178-M180 VanDerWaalsContact C-N 3.35Å; F178-M180 PolarHBondContact O-N 3.3Å; M180-Y183 PolarHBondContact O-N 2.88Å; M180-L184 WeakPolarHBondContact O-CB 3.12Å; M180-L184 WeakPolarHBondContact O-CG 3.45Å; M180-L184 PolarHBondContact O-N 3.12Å; M180-L300 HydrophobicContact CE-CB 3.56Å; M180-L300 HydrophobicContact CE-CD1 3.86Å; M180-L300 HydrophobicContact CE-CG 4.37Å; M180-L300 HydrophobicContact SD-CB 4.44Å; M180-L304 HydrophobicContact CE-CD1 4.5Å; M180-L304 HydrophobicContact SD-CD1 3.27Å; M180-L304 WeakPolarHBondContact SD-CD1 3.5Å
181V92.8Very high92Very high73 Ų7345.7 Ų45.744%0.44224%0.238SC..Hα-helixtrans-65-43.9176.5171.30000111.2L177 F178 L184 T185L177-V181 HydrophobicContact CD1-CG2 4.19Å; L177-V181 HydrophobicContact CG-CG2 4.48Å; L177-V181 WeakPolarHBondContact O-CB 3.28Å; L177-V181 VanDerWaalsContact O-CG2 3.25Å; L177-V181 WeakPolarHBondContact O-CG2 3.39Å; L177-V181 PolarHBondContact O-N 3.34Å; F178-V181 PolarHBondContact O-N 3.21Å; V181-L184 PolarHBondContact O-N 2.96Å; V181-T185 WeakPolarHBondContact O-CB 3.37Å; V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 3.26Å
182A93.7Very high91.8Very high16 Ų1646.4 Ų46.413%0.13224%0.24CC..Hα-helixtrans-61.2-46.1175.400000110.8F178 L184 T185 F186 V262F178-A182 WeakPolarHBondContact O-CB 3.4Å; F178-A182 PolarHBondContact O-N 3.19Å; A182-L184 PolarHBondContact O-N 3.44Å; A182-T185 PolarHBondContact O-N 2.98Å; A182-F186 HydrophobicContact CB-CD2 4.37Å; A182-F186 HydrophobicContact CB-CE2 4.3Å; A182-F186 WeakPolarHBondContact O-CD2 3.24Å; A182-F186 PolarHBondContact O-N 3.19Å; A182-V262 HydrophobicContact CB-CG1 4.22Å
183Y92.8Very high91.7Very high3 Ų351.7 Ų51.71%0.01226%0.261CS..Hα-helixtrans-56.3-50.2176.8-177.9-82.1000111.9T179 M180 T185 T187 Q259 I263 Y301 L304 N305T179-Y183 WeakPolarHBondContact O-CB 3.13Å; T179-Y183 PolarHBondContact O-N 3.01Å; M180-Y183 PolarHBondContact O-N 2.88Å; Y183-T185 PolarHBondContact O-N 2.86Å; Y183-T187 WeakPolarHBondContact CE1-OG1 3.46Å; Y183-T187 WeakPolarHBondContact O-CB 3.36Å; Y183-T187 PolarHBondContact O-N 3.32Å; Y183-T187 PolarHBondContact O-OG1 3.49Å; Y183-Q259 HydrophobicContact CD2-CB 4.36Å; Y183-Q259 HydrophobicContact CD2-CG 4.25Å; Y183-Q259 HydrophobicContact CE2-CB 3.54Å; Y183-Q259 HydrophobicContact CE2-CG 3.45Å; Y183-Q259 VanDerWaalsContact CE2-CG 3.45Å; Y183-Q259 PolarHBondContact OH-NE2 2.86Å; Y183-Q259 PolarHBondContact OH-OE1 2.94Å; Y183-I263 HydrophobicContact CD2-CD1 4.32Å; Y183-I263 HydrophobicContact CD2-CG1 4.12Å; Y183-I263 HydrophobicContact CE2-CD1 3.98Å; Y183-I263 HydrophobicContact CE2-CG1 4.28Å; Y183-Y301 HydrophobicContact CD2-CE2 4.42Å; Y183-Y301 AromaticContact CE2-CD2 3.86Å; Y183-Y301 HydrophobicContact CE2-CD2 3.86Å; Y183-Y301 AromaticContact CE2-CE2 3.4Å; Y183-Y301 HydrophobicContact CE2-CE2 3.4Å; Y183-Y301 VanDerWaalsContact CE2-CE2 3.4Å; Y183-Y301 AromaticContact CZ-CE2 3.57Å; Y183-Y301 WeakPolarHBondContact OH-CE2 3.38Å; Y183-L304 HydrophobicContact CD1-CB 4.06Å; Y183-L304 HydrophobicContact CD1-CD1 4.34Å; Y183-L304 HydrophobicContact CD1-CD2 4.17Å; Y183-L304 HydrophobicContact CD1-CG 4.45Å; Y183-L304 HydrophobicContact CE1-CB 3.62Å; Y183-L304 HydrophobicContact CE1-CD2 4.34Å; Y183-L304 HydrophobicContact CE1-CG 4.45Å; Y183-L304 PolarHBondContact OH-O 3.02Å; Y183-N305 WeakPolarHBondContact OH-CA 3.49Å
184L90.4Very high91.7Very high54 Ų5452.1 Ų52.128%0.28326%0.262SS..Hα-helixtrans-59.4-47.6178.2-72.9172.4000111.3M180 V181 A182 T187 V188 L304 L307M180-L184 WeakPolarHBondContact O-CB 3.12Å; M180-L184 WeakPolarHBondContact O-CG 3.45Å; M180-L184 PolarHBondContact O-N 3.12Å; V181-L184 PolarHBondContact O-N 2.96Å; A182-L184 PolarHBondContact O-N 3.44Å; L184-T187 PolarHBondContact O-N 2.94Å; L184-V188 WeakPolarHBondContact O-CG2 3.34Å; L184-V188 PolarHBondContact O-N 3.32Å; L184-L304 HydrophobicContact CD2-CD2 3.49Å; L184-L304 VanDerWaalsContact CD2-CD2 3.49Å; L184-L304 HydrophobicContact CG-CD2 4.14Å; L184-L307 HydrophobicContact CD2-CD2 3.04Å
185T92Very high91.3Very high70 Ų7049.5 Ų49.543%0.42925%0.25SC..Hα-helixtrans-63.1-52.1-177.4-55.60000111.4V181 A182 Y183 T187 V188 L189V181-T185 WeakPolarHBondContact O-CB 3.37Å; V181-T185 PolarHBondContact O-N 3.22Å; V181-T185 PolarHBondContact O-OG1 3.26Å; A182-T185 PolarHBondContact O-N 2.98Å; Y183-T185 PolarHBondContact O-N 2.86Å; T185-T187 VanDerWaalsContact C-N 3.29Å; T185-T187 PolarHBondContact O-N 3.15Å; T185-V188 PolarHBondContact O-N 2.76Å; T185-L189 HydrophobicContact CG2-CD1 3.94Å; T185-L189 HydrophobicContact CG2-CG 4.49Å; T185-L189 VanDerWaalsContact O-CG 3.31Å; T185-L189 WeakPolarHBondContact O-CG 3.31Å; T185-L189 PolarHBondContact O-N 3.28Å
186F92Very high91.1Very high99 Ų9952.8 Ų52.843%0.43426%0.263SS..Hα-helixtrans-62.4-37.9177.5-73.7-60000112.1A182 I190 T258 V262A182-F186 HydrophobicContact CB-CD2 4.37Å; A182-F186 HydrophobicContact CB-CE2 4.3Å; A182-F186 WeakPolarHBondContact O-CD2 3.24Å; A182-F186 PolarHBondContact O-N 3.19Å; F186-I190 WeakPolarHBondContact O-CB 3.41Å; F186-I190 VanDerWaalsContact O-CG1 3.28Å; F186-I190 WeakPolarHBondContact O-CG1 3.5Å; F186-I190 PolarHBondContact O-N 3.26Å; F186-T258 HydrophobicContact CB-CG2 4.18Å; F186-T258 HydrophobicContact CG-CG2 4.28Å; F186-V262 HydrophobicContact CD2-CG2 3.88Å; F186-V262 HydrophobicContact CE2-CG2 4.27Å
187T91.1Very high90.9Very high1 Ų154.1 Ų54.11%0.00627%0.269CS..Hα-helixtrans-62.6-44.8178.2-63.50000111.8Y183 L184 T185 T191 L255 Q259Y183-T187 WeakPolarHBondContact CE1-OG1 3.46Å; Y183-T187 WeakPolarHBondContact O-CB 3.36Å; Y183-T187 PolarHBondContact O-N 3.32Å; Y183-T187 PolarHBondContact O-OG1 3.49Å; L184-T187 PolarHBondContact O-N 2.94Å; T185-T187 VanDerWaalsContact C-N 3.29Å; T185-T187 PolarHBondContact O-N 3.15Å; T187-T191 WeakPolarHBondContact O-CB 3.43Å; T187-T191 PolarHBondContact O-N 2.96Å; T187-T191 PolarHBondContact O-OG1 2.95Å; T187-L255 HydrophobicContact CG2-CD1 4.44Å; T187-Q259 PolarHBondContact OG1-NE2 2.91Å
188V87.9Confident90.6Very high49 Ų4955.8 Ų55.830%0.29727%0.27SS..Hα-helixtrans-66-51178.31730000110.5L184 T185 I190 T191 E192L184-V188 WeakPolarHBondContact O-CG2 3.34Å; L184-V188 PolarHBondContact O-N 3.32Å; T185-V188 PolarHBondContact O-N 2.76Å; V188-I190 PolarHBondContact O-N 2.95Å; V188-T191 PolarHBondContact O-N 3.32Å; V188-T191 VanDerWaalsContact O-N 3.12Å; V188-E192 PolarHBondContact O-N 3.11Å
189L91.1Very high90.2Very high101 Ų10152 Ų5253%0.52926%0.259SS..Hα-helixtrans-59-47.9-178-68.7174.1000112.8T185 T191 E192 W193T185-L189 HydrophobicContact CG2-CD1 3.94Å; T185-L189 HydrophobicContact CG2-CG 4.49Å; T185-L189 VanDerWaalsContact O-CG 3.31Å; T185-L189 WeakPolarHBondContact O-CG 3.31Å; T185-L189 PolarHBondContact O-N 3.28Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.88Å; L189-E192 PolarHBondContact O-N 3.17Å; L189-W193 WeakPolarHBondContact O-CB 3.48Å; L189-W193 PolarHBondContact O-N 3.2Å
190I90.9Very high90.1Very high25 Ų2555.1 Ų55.113%0.12827%0.273CS..Hα-helixtrans-68.1-34.9178.6-64.7171.5000110.4F186 V188 W193 R194 L255 T258F186-I190 WeakPolarHBondContact O-CB 3.41Å; F186-I190 VanDerWaalsContact O-CG1 3.28Å; F186-I190 WeakPolarHBondContact O-CG1 3.5Å; F186-I190 PolarHBondContact O-N 3.26Å; V188-I190 PolarHBondContact O-N 2.95Å; I190-W193 PolarHBondContact O-N 2.66Å; I190-R194 VanDerWaalsContact O-CB 3.26Å; I190-R194 WeakPolarHBondContact O-CB 3.27Å; I190-R194 PolarHBondContact O-N 2.85Å; I190-L255 HydrophobicContact CB-CD1 3.81Å; I190-L255 HydrophobicContact CD1-CD1 4.37Å; I190-L255 HydrophobicContact CG2-CB 3.94Å; I190-L255 HydrophobicContact CG2-CD1 3.74Å; I190-L255 HydrophobicContact CG2-CG 4.49Å; I190-T258 HydrophobicContact CD1-CG2 3.79Å
191T88.6Confident90Very high0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-66.2-45.3177.9-65.60000111.9T187 V188 L189 R194 T195 Y311 R312T187-T191 WeakPolarHBondContact O-CB 3.43Å; T187-T191 PolarHBondContact O-N 2.96Å; T187-T191 PolarHBondContact O-OG1 2.95Å; V188-T191 PolarHBondContact O-N 3.32Å; V188-T191 VanDerWaalsContact O-N 3.12Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.88Å; T191-R194 PolarHBondContact O-N 3.39Å; T191-R194 PolarHBondContact OG1-NH2 2.98Å; T191-T195 PolarHBondContact O-N 3.41Å; T191-T195 PolarHBondContact O-OG1 3.4Å; T191-Y311 HydrophobicContact CG2-CD1 4.21Å; T191-R312 HydrophobicContact CG2-CG 3.62Å
192E87.1Confident89.8Confident94 Ų9455.9 Ų55.944%0.43927%0.274SS..Hα-helixtrans-61.2-45.1174.9-71.9-174.1163.900111.7V188 L189 R194 T195 Y311V188-E192 PolarHBondContact O-N 3.11Å; L189-E192 PolarHBondContact O-N 3.17Å; E192-R194 VanDerWaalsContact C-N 3.31Å; E192-R194 PolarHBondContact O-N 3.31Å; E192-T195 PolarHBondContact O-N 3.17Å; E192-Y311 HydrophobicContact CG-CE1 3.94Å; E192-Y311 PolarHBondContact OE1-OH 3.47Å
193W90.5Very high89.6Confident112 Ų11259.2 Ų59.242%0.42429%0.29SS..Hα-helixtrans-60.9-38.9175.6175.387.1000112.8L189 I190 K196 F197 L254L189-W193 WeakPolarHBondContact O-CB 3.48Å; L189-W193 PolarHBondContact O-N 3.2Å; I190-W193 PolarHBondContact O-N 2.66Å; W193-K196 VanDerWaalsContact CD1-NZ 3.29Å; W193-K196 VanDerWaalsContact O-CD 3.24Å; W193-K196 WeakPolarHBondContact O-CD 3.41Å; W193-K196 WeakPolarHBondContact O-CE 3.45Å; W193-K196 WeakPolarHBondContact O-CG 3.39Å; W193-F197 AromaticContact CD2-CE2 3.93Å; W193-F197 HydrophobicContact CD2-CE2 3.93Å; W193-F197 AromaticContact CE2-CE2 3.76Å; W193-F197 AromaticContact CE3-CE2 3.85Å; W193-F197 HydrophobicContact CE3-CE2 3.85Å; W193-F197 AromaticContact CH2-CE2 3.46Å; W193-F197 HydrophobicContact CH2-CE2 3.46Å; W193-F197 VanDerWaalsContact CH2-CE2 3.46Å; W193-F197 AromaticContact CH2-CZ 3.89Å; W193-F197 HydrophobicContact CH2-CZ 3.89Å; W193-F197 AromaticContact CZ2-CE2 3.53Å; W193-F197 HydrophobicContact CZ2-CE2 3.53Å; W193-F197 AromaticContact CZ2-CZ 3.62Å; W193-F197 HydrophobicContact CZ2-CZ 3.62Å; W193-F197 HydrophobicContact CZ3-CD2 4.45Å; W193-F197 AromaticContact CZ3-CE2 3.62Å; W193-F197 HydrophobicContact CZ3-CE2 3.62Å; W193-F197 HydrophobicContact CZ3-CZ 4.49Å; W193-L254 HydrophobicContact CH2-CD2 4.33Å; W193-L254 HydrophobicContact CZ3-CD2 4.12Å
194R90.6Very high89.6Confident9 Ų963.3 Ų63.33%0.03431%0.305CS..Hα-helixtrans-71.6-30.5178.8160.7175.152-139.7-6.6113.2I190 T191 E192 K196 F197 R198 S251I190-R194 VanDerWaalsContact O-CB 3.26Å; I190-R194 WeakPolarHBondContact O-CB 3.27Å; I190-R194 PolarHBondContact O-N 2.85Å; T191-R194 PolarHBondContact O-N 3.39Å; T191-R194 PolarHBondContact OG1-NH2 2.98Å; E192-R194 VanDerWaalsContact C-N 3.31Å; E192-R194 PolarHBondContact O-N 3.31Å; R194-K196 PolarHBondContact O-N 3.38Å; R194-K196 VanDerWaalsContact O-N 3.1Å; R194-F197 PolarHBondContact O-N 3.32Å; R194-R198 PolarHBondContact O-N 3.24Å; R194-S251 WeakPolarHBondContact CD-OG 3.42Å; R194-S251 VanDerWaalsContact CG-OG 3.24Å; R194-S251 WeakPolarHBondContact CG-OG 3.48Å; R194-S251 PolarHBondContact NH1-O 3.09Å
195T85.8Confident89.7Confident43 Ų4363.5 Ų63.526%0.26431%0.306SS..Hα-helixtrans-53.5-35.4-176.2-64.50000111.8T191 E192 F197 R198 V199T191-T195 PolarHBondContact O-N 3.41Å; T191-T195 PolarHBondContact O-OG1 3.4Å; E192-T195 PolarHBondContact O-N 3.17Å; T195-F197 PolarHBondContact O-N 3.02Å; T195-R198 WeakPolarHBondContact O-CB 3.38Å; T195-R198 PolarHBondContact O-N 2.83Å; T195-R198 VanDerWaalsContact O-N 3.15Å; T195-V199 HydrophobicContact CG2-CG2 4.31Å; T195-V199 WeakPolarHBondContact O-CG2 3.36Å; T195-V199 PolarHBondContact O-N 3.44Å
196K89.3Confident89.6Confident105 Ų10564.8 Ų64.846%0.45731%0.31SS..Hα-helixtrans-59.5-40.3176.277.3-162.6176.3174.50114.1W193 R194 R198 V199 E200W193-K196 VanDerWaalsContact CD1-NZ 3.29Å; W193-K196 VanDerWaalsContact O-CD 3.24Å; W193-K196 WeakPolarHBondContact O-CD 3.41Å; W193-K196 WeakPolarHBondContact O-CE 3.45Å; W193-K196 WeakPolarHBondContact O-CG 3.39Å; R194-K196 PolarHBondContact O-N 3.38Å; R194-K196 VanDerWaalsContact O-N 3.1Å; K196-R198 VanDerWaalsContact C-N 3.28Å; K196-R198 PolarHBondContact O-N 3.09Å; K196-V199 PolarHBondContact O-N 3.47Å; K196-E200 PolarHBondContact O-N 2.81Å
197F89.6Confident89.6Confident27 Ų2764.8 Ų64.812%0.11832%0.315CS..Hα-helixtrans-68.5-34.5178.4-58.3-59.7000110.9W193 R194 T195 M201 K247W193-F197 AromaticContact CD2-CE2 3.93Å; W193-F197 HydrophobicContact CD2-CE2 3.93Å; W193-F197 AromaticContact CE2-CE2 3.76Å; W193-F197 AromaticContact CE3-CE2 3.85Å; W193-F197 HydrophobicContact CE3-CE2 3.85Å; W193-F197 AromaticContact CH2-CE2 3.46Å; W193-F197 HydrophobicContact CH2-CE2 3.46Å; W193-F197 VanDerWaalsContact CH2-CE2 3.46Å; W193-F197 AromaticContact CH2-CZ 3.89Å; W193-F197 HydrophobicContact CH2-CZ 3.89Å; W193-F197 AromaticContact CZ2-CE2 3.53Å; W193-F197 HydrophobicContact CZ2-CE2 3.53Å; W193-F197 AromaticContact CZ2-CZ 3.62Å; W193-F197 HydrophobicContact CZ2-CZ 3.62Å; W193-F197 HydrophobicContact CZ3-CD2 4.45Å; W193-F197 AromaticContact CZ3-CE2 3.62Å; W193-F197 HydrophobicContact CZ3-CE2 3.62Å; W193-F197 HydrophobicContact CZ3-CZ 4.49Å; R194-F197 PolarHBondContact O-N 3.32Å; T195-F197 PolarHBondContact O-N 3.02Å; F197-M201 VanDerWaalsContact O-CB 3.22Å; F197-M201 WeakPolarHBondContact O-CB 3.4Å; F197-M201 PolarHBondContact O-N 3.37Å; F197-K247 HydrophobicContact CD1-CB 4.11Å; F197-K247 HydrophobicContact CD1-CD 4.24Å; F197-K247 HydrophobicContact CE1-CD 4.18Å; F197-K247 HydrophobicContact CG-CB 4.27Å
198R86.4Confident89.8Confident113 Ų11365.5 Ų65.543%0.42632%0.319SS..Hα-helixtrans-69.3-39.6175.8-168.2177.5-174-164.62112R194 T195 K196 M201 N202R194-R198 PolarHBondContact O-N 3.24Å; T195-R198 WeakPolarHBondContact O-CB 3.38Å; T195-R198 PolarHBondContact O-N 2.83Å; T195-R198 VanDerWaalsContact O-N 3.15Å; K196-R198 VanDerWaalsContact C-N 3.28Å; K196-R198 PolarHBondContact O-N 3.09Å; R198-M201 HydrophobicContact CG-CE 4.44Å; R198-N202 WeakPolarHBondContact O-CB 3.44Å; R198-N202 VanDerWaalsContact O-CG 3.25Å; R198-N202 PolarHBondContact O-N 3.15Å; R198-N202 PolarHBondContact O-OD1 3.32Å
199V86.9Confident90.1Very high75 Ų7566.8 Ų66.846%0.45532%0.324SS..Hα-helixtrans-62.5-51.2174.8172.90000110T195 K196 M201 N202 D203T195-V199 HydrophobicContact CG2-CG2 4.31Å; T195-V199 WeakPolarHBondContact O-CG2 3.36Å; T195-V199 PolarHBondContact O-N 3.44Å; K196-V199 PolarHBondContact O-N 3.47Å; V199-M201 VanDerWaalsContact C-N 3.31Å; V199-M201 PolarHBondContact O-N 3.22Å; V199-N202 PolarHBondContact O-N 3.45Å; V199-N202 VanDerWaalsContact O-N 3.12Å; V199-D203 PolarHBondContact O-N 3.01Å
200E90.2Very high90.2Very high80 Ų8064.9 Ų64.937%0.37432%0.323SS..Hα-helixtrans-57.8-43.4177.8-174179.5-17500112.1K196 D203 R204 T245K196-E200 PolarHBondContact O-N 2.81Å; E200-D203 PolarHBondContact O-N 2.91Å; E200-R204 WeakPolarHBondContact O-CG 3.46Å; E200-R204 PolarHBondContact O-N 3.22Å; E200-R204 VanDerWaalsContact O-N 3.07Å; E200-T245 HydrophobicContact CG-CG2 3.92Å
201M89.8Confident90.3Very high28 Ų2865.4 Ų65.414%0.13833%0.325CS..Hα-helixtrans-61.7-44.2175.9-175.9-169.182.400112.2F197 R198 V199 D203 R204 D205 Y242 T248F197-M201 VanDerWaalsContact O-CB 3.22Å; F197-M201 WeakPolarHBondContact O-CB 3.4Å; F197-M201 PolarHBondContact O-N 3.37Å; R198-M201 HydrophobicContact CG-CE 4.44Å; V199-M201 VanDerWaalsContact C-N 3.31Å; V199-M201 PolarHBondContact O-N 3.22Å; M201-D203 VanDerWaalsContact C-N 3.34Å; M201-D203 PolarHBondContact O-N 3.49Å; M201-R204 PolarHBondContact O-N 2.89Å; M201-D205 WeakPolarHBondContact O-CB 3.39Å; M201-D205 PolarHBondContact O-N 3.21Å; M201-Y242 HydrophobicContact CG-CD2 4.42Å; M201-Y242 HydrophobicContact CG-CE2 3.67Å; M201-T248 HydrophobicContact SD-CG2 4.37Å; M201-T248 PolarHBondContact SD-OG1 3.5Å; M201-T248 VanDerWaalsContact SD-OG1 3.34Å
202N88.9Confident90.7Very high70 Ų7066.5 Ų66.537%0.37434%0.335SS..Hα-helixtrans-64.3-37.9177.1-75.5-6.5000112R198 V199 D205 N206R198-N202 WeakPolarHBondContact O-CB 3.44Å; R198-N202 VanDerWaalsContact O-CG 3.25Å; R198-N202 PolarHBondContact O-N 3.15Å; R198-N202 PolarHBondContact O-OD1 3.32Å; V199-N202 PolarHBondContact O-N 3.45Å; V199-N202 VanDerWaalsContact O-N 3.12Å; N202-D205 PolarHBondContact O-N 3Å; N202-N206 WeakPolarHBondContact O-CB 3.43Å; N202-N206 VanDerWaalsContact O-CG 3.26Å; N202-N206 PolarHBondContact O-N 3.01Å; N202-N206 PolarHBondContact O-ND2 2.79Å
203D90.6Very high91Very high86 Ų8666 Ų6646%0.4634%0.338SS..Hα-helixtrans-64.3-43.5176.5-67.4-22.9000110.8V199 E200 M201 D205 N206 D207V199-D203 PolarHBondContact O-N 3.01Å; E200-D203 PolarHBondContact O-N 2.91Å; M201-D203 VanDerWaalsContact C-N 3.34Å; M201-D203 PolarHBondContact O-N 3.49Å; D203-D205 VanDerWaalsContact C-N 3.35Å; D203-D205 PolarHBondContact O-N 3.43Å; D203-N206 PolarHBondContact O-N 2.97Å; D203-D207 PolarHBondContact O-N 3.44Å
204R91Very high91.2Very high89 Ų8964.2 Ų64.234%0.33634%0.337SS..Hα-helixtrans-66.1-35174.8-61.6-46.9-178.6169.9-2.2113.3E200 M201 L208 Y242 T245E200-R204 WeakPolarHBondContact O-CG 3.46Å; E200-R204 PolarHBondContact O-N 3.22Å; E200-R204 VanDerWaalsContact O-N 3.07Å; M201-R204 PolarHBondContact O-N 2.89Å; R204-L208 WeakPolarHBondContact O-CB 3.28Å; R204-L208 PolarHBondContact O-N 3.3Å; R204-Y242 HydrophobicContact CB-CD2 4.12Å; R204-T245 HydrophobicContact CG-CG2 3.84Å
205D92.8Very high91.3Very high57 Ų5765.3 Ų65.331%0.30535%0.346SS..Hα-helixtrans-66.5-42.2174.7-171.546.1000111.2M201 N202 D203 L208 N209 Y242M201-D205 WeakPolarHBondContact O-CB 3.39Å; M201-D205 PolarHBondContact O-N 3.21Å; N202-D205 PolarHBondContact O-N 3Å; D203-D205 VanDerWaalsContact C-N 3.35Å; D203-D205 PolarHBondContact O-N 3.43Å; D205-L208 PolarHBondContact O-N 3.23Å; D205-N209 WeakPolarHBondContact O-CB 3.47Å; D205-N209 PolarHBondContact O-N 3.39Å; D205-N209 PolarHBondContact O-ND2 2.72Å; D205-N209 PolarHBondContact OD1-ND2 2.69Å; D205-N209 PolarHBondContact OD2-ND2 3.41Å; D205-Y242 HydrophobicContact CB-CD2 4.08Å; D205-Y242 HydrophobicContact CB-CE2 3.81Å
206N91Very high91.8Very high97 Ų9769.4 Ų69.452%0.51937%0.365SS..Hα-helixtrans-61.8-44.6174.5-72.6-32.8000111.8N202 D203 L208 N209 A210N202-N206 WeakPolarHBondContact O-CB 3.43Å; N202-N206 VanDerWaalsContact O-CG 3.26Å; N202-N206 PolarHBondContact O-N 3.01Å; N202-N206 PolarHBondContact O-ND2 2.79Å; D203-N206 PolarHBondContact O-N 2.97Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 PolarHBondContact O-N 3.49Å; N206-N209 PolarHBondContact O-N 2.93Å; N206-A210 VanDerWaalsContact O-CB 3.3Å; N206-A210 WeakPolarHBondContact O-CB 3.29Å; N206-A210 PolarHBondContact O-N 3.38Å
207D92.2Very high92Very high100 Ų10070.8 Ų70.854%0.53538%0.377SS..Hα-helixtrans-59.2-43.7175.3-72.7-16.8000111.5D203 A210 L211D203-D207 PolarHBondContact O-N 3.44Å; D207-A210 PolarHBondContact O-N 2.72Å; D207-L211 WeakPolarHBondContact O-CB 3.32Å; D207-L211 PolarHBondContact O-N 2.85Å; D207-L211 VanDerWaalsContact O-N 3.07Å
208L94.5Very high92.3Very high15 Ų1572.9 Ų72.98%0.07939%0.389CS..Hα-helixtrans-65-45.2178.6-178.864.3000111.8R204 D205 N206 L211 A212 Y235 I239R204-L208 WeakPolarHBondContact O-CB 3.28Å; R204-L208 PolarHBondContact O-N 3.3Å; D205-L208 PolarHBondContact O-N 3.23Å; N206-L208 VanDerWaalsContact C-N 3.33Å; N206-L208 PolarHBondContact O-N 3.49Å; L208-L211 WeakPolarHBondContact O-CB 3.4Å; L208-L211 PolarHBondContact O-N 2.99Å; L208-A212 PolarHBondContact O-N 3.26Å; L208-A212 VanDerWaalsContact O-N 3.1Å; L208-Y235 HydrophobicContact CD1-CD2 3.68Å; L208-Y235 HydrophobicContact CD1-CE2 3.35Å; L208-Y235 HydrophobicContact CD1-CG 4.49Å; L208-Y235 HydrophobicContact CG-CE2 3.93Å; L208-I239 HydrophobicContact CD1-CG1 3.86Å; L208-I239 HydrophobicContact CD2-CG1 4.08Å
209N93.6Very high92.7Very high77 Ų7773.2 Ų73.241%0.41239%0.394SS..Hα-helixtrans-65.3-40.7177.3-76.5-49.6000111.7D205 N206 L211 A212 V213D205-N209 WeakPolarHBondContact O-CB 3.47Å; D205-N209 PolarHBondContact O-N 3.39Å; D205-N209 PolarHBondContact O-ND2 2.72Å; D205-N209 PolarHBondContact OD1-ND2 2.69Å; D205-N209 PolarHBondContact OD2-ND2 3.41Å; N206-N209 PolarHBondContact O-N 2.93Å; N209-L211 VanDerWaalsContact C-N 3.31Å; N209-L211 PolarHBondContact O-N 3.07Å; N209-A212 PolarHBondContact O-N 3.25Å; N209-V213 VanDerWaalsContact O-CG2 3.32Å; N209-V213 WeakPolarHBondContact O-CG2 3.47Å; N209-V213 PolarHBondContact O-N 2.96Å
210A93.7Very high93.2Very high61 Ų6175.9 Ų75.950%0.50440%0.402SS..Hα-helixtrans-60.3-42.6175.700000111.4N206 D207 A212 V213 D214N206-A210 VanDerWaalsContact O-CB 3.3Å; N206-A210 WeakPolarHBondContact O-CB 3.29Å; N206-A210 PolarHBondContact O-N 3.38Å; D207-A210 PolarHBondContact O-N 2.72Å; A210-A212 PolarHBondContact O-N 2.92Å; A210-V213 PolarHBondContact O-N 3.12Å; A210-D214 VanDerWaalsContact O-CB 3.32Å; A210-D214 WeakPolarHBondContact O-CB 3.35Å; A210-D214 PolarHBondContact O-N 3.03Å
211L94.3Very high93.5Very high35 Ų3576 Ų7618%0.18341%0.408CS..Hα-helixtrans-61.1-44176.3-163.176.8000112.3D207 L208 N209 S215 R234 Y235D207-L211 WeakPolarHBondContact O-CB 3.32Å; D207-L211 PolarHBondContact O-N 2.85Å; D207-L211 VanDerWaalsContact O-N 3.07Å; L208-L211 WeakPolarHBondContact O-CB 3.4Å; L208-L211 PolarHBondContact O-N 2.99Å; N209-L211 VanDerWaalsContact C-N 3.31Å; N209-L211 PolarHBondContact O-N 3.07Å; L211-S215 PolarHBondContact O-N 3Å; L211-S215 VanDerWaalsContact O-N 3.09Å; L211-R234 HydrophobicContact CD1-CG 3.99Å; L211-R234 HydrophobicContact CD2-CB 4.46Å; L211-R234 HydrophobicContact CD2-CG 3.99Å; L211-R234 HydrophobicContact CG-CG 4.48Å; L211-Y235 HydrophobicContact CD2-CD2 4.18Å
212A95.2Very high93.8Very high24 Ų2475.7 Ų75.720%0.19841%0.407CS..Hα-helixtrans-64.9-45.5177.900000111.9L208 N209 A210 S215 L216 Y235L208-A212 PolarHBondContact O-N 3.26Å; L208-A212 VanDerWaalsContact O-N 3.1Å; N209-A212 PolarHBondContact O-N 3.25Å; A210-A212 PolarHBondContact O-N 2.92Å; A212-S215 PolarHBondContact O-N 3.31Å; A212-L216 WeakPolarHBondContact O-CG 3.37Å; A212-L216 PolarHBondContact O-N 2.9Å; A212-Y235 HydrophobicContact CB-CD2 4.48Å; A212-Y235 HydrophobicContact CB-CE2 3.87Å
213V94.4Very high94.2Very high83 Ų8378.7 Ų78.750%0.50342%0.417SS..Hα-helixtrans-62.5-45178.5170.60000110.8N209 A210 S215 L216 L217N209-V213 VanDerWaalsContact O-CG2 3.32Å; N209-V213 WeakPolarHBondContact O-CG2 3.47Å; N209-V213 PolarHBondContact O-N 2.96Å; A210-V213 PolarHBondContact O-N 3.12Å; V213-S215 VanDerWaalsContact C-N 3.35Å; V213-S215 PolarHBondContact O-N 2.85Å; V213-L216 PolarHBondContact O-N 3.17Å; V213-L217 HydrophobicContact CG1-CD1 3.67Å; V213-L217 HydrophobicContact CG1-CG 4.1Å; V213-L217 WeakPolarHBondContact O-CB 3.42Å; V213-L217 VanDerWaalsContact O-CG 3.32Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.44Å
214D94Very high94.5Very high75 Ų7580 Ų8040%0.40143%0.432SS..Hα-helixtrans-61.4-41.9178.6-172.146.9000112A210 L216 N218 R234A210-D214 VanDerWaalsContact O-CB 3.32Å; A210-D214 WeakPolarHBondContact O-CB 3.35Å; A210-D214 PolarHBondContact O-N 3.03Å; D214-L216 PolarHBondContact O-N 3.32Å; D214-N218 WeakPolarHBondContact O-CB 3.34Å; D214-N218 PolarHBondContact O-N 3Å; D214-N218 VanDerWaalsContact O-N 3.15Å; D214-N218 PolarHBondContact O-ND2 3.1Å; D214-N218 PolarHBondContact OD1-ND2 3.15Å; D214-R234 IonicContact OD2-NH2 2.96Å
215S94.3Very high94.7Very high31 Ų3180 Ų8022%0.21745%0.445CS..Hα-helixtrans-64.9-38.2175.3178.70000112.9L211 A212 V213 N218 F219L211-S215 PolarHBondContact O-N 3Å; L211-S215 VanDerWaalsContact O-N 3.09Å; A212-S215 PolarHBondContact O-N 3.31Å; V213-S215 VanDerWaalsContact C-N 3.35Å; V213-S215 PolarHBondContact O-N 2.85Å; S215-N218 CarbonylContact O-C 3.53Å; S215-F219 PolarHBondContact O-N 3Å
216L95Very high94.9Very high130 Ų13083.8 Ų83.868%0.68147%0.465SS*.Hα-helixtrans-78.3-36.1-178.4-71175000112.9A212 V213 D214 N218 F219A212-L216 WeakPolarHBondContact O-CG 3.37Å; A212-L216 PolarHBondContact O-N 2.9Å; V213-L216 PolarHBondContact O-N 3.17Å; D214-L216 PolarHBondContact O-N 3.32Å; L216-N218 VanDerWaalsContact C-N 3.26Å; L216-N218 PolarHBondContact O-N 3.44Å; L216-F219 WeakPolarHBondContact O-CB 3.44Å; L216-F219 PolarHBondContact O-N 3.48Å
217L94.4Very high95.1Very high133 Ų13380.4 Ų80.470%0.69645%0.451SS*.Hα-helixtrans-64.5-35.9173.2-73175.5000111.2V213V213-L217 HydrophobicContact CG1-CD1 3.67Å; V213-L217 HydrophobicContact CG1-CG 4.1Å; V213-L217 WeakPolarHBondContact O-CB 3.42Å; V213-L217 VanDerWaalsContact O-CG 3.32Å; V213-L217 WeakPolarHBondContact O-CG 3.34Å; V213-L217 PolarHBondContact O-N 3.44Å
218N95.9Very high95.3Very high71 Ų7178.8 Ų78.838%0.3844%0.44SS..THydrogen-bonded Turntrans-99.129.9179.4-60.7-58000112.8D214 S215 L216 E220 T221 V222D214-N218 WeakPolarHBondContact O-CB 3.34Å; D214-N218 PolarHBondContact O-N 3Å; D214-N218 VanDerWaalsContact O-N 3.15Å; D214-N218 PolarHBondContact O-ND2 3.1Å; D214-N218 PolarHBondContact OD1-ND2 3.15Å; S215-N218 CarbonylContact O-C 3.53Å; L216-N218 VanDerWaalsContact C-N 3.26Å; L216-N218 PolarHBondContact O-N 3.44Å; N218-E220 PolarHBondContact O-N 3.41Å; N218-T221 WeakPolarHBondContact O-CB 3.4Å; N218-T221 PolarHBondContact O-N 2.97Å; N218-V222 PolarHBondContact O-N 2.86Å
219F94.9Very high95.4Very high120 Ų12083.9 Ų83.953%0.52646%0.463SS..Hα-helixtrans-56.4-36.7-176.181.8-87.2000112.6S215 L216 T221 V222 K223S215-F219 PolarHBondContact O-N 3Å; L216-F219 WeakPolarHBondContact O-CB 3.44Å; L216-F219 PolarHBondContact O-N 3.48Å; F219-T221 VanDerWaalsContact C-N 3.35Å; F219-V222 PolarHBondContact O-N 3.27Å; F219-K223 WeakPolarHBondContact O-CB 3.3Å; F219-K223 VanDerWaalsContact O-CG 3.31Å; F219-K223 WeakPolarHBondContact O-CG 3.32Å; F219-K223 PolarHBondContact O-N 2.81Å
220E96Very high95.5Very high132 Ų13283.1 Ų83.162%0.61747%0.467SS*.Hα-helixtrans-61.8-44.1176.2-64.5-174.1174.200110.9N218 K223 C224N218-E220 PolarHBondContact O-N 3.41Å; E220-K223 PolarHBondContact O-N 3.48Å; E220-C224 WeakPolarHBondContact O-CB 3.5Å; E220-C224 PolarHBondContact O-N 3.23Å; E220-C224 PolarHBondContact O-SG 3.04Å
221T96.8Very high95.6Very high82 Ų8282 Ų8250%0.50345%0.452SS..Hα-helixtrans-65.5-44.6178.4-58.60000111.1N218 F219 K223 C224 C225N218-T221 WeakPolarHBondContact O-CB 3.4Å; N218-T221 PolarHBondContact O-N 2.97Å; F219-T221 VanDerWaalsContact C-N 3.35Å; T221-K223 VanDerWaalsContact C-N 3.27Å; T221-K223 PolarHBondContact O-N 2.91Å; T221-C224 PolarHBondContact O-N 3.41Å; T221-C225 WeakPolarHBondContact O-CB 3.35Å; T221-C225 PolarHBondContact O-N 3.43Å; T221-C225 PolarHBondContact O-SG 3.48Å; T221-C225 VanDerWaalsContact O-SG 3.41Å
222V97Very high95.7Very high21 Ų2185.1 Ų85.113%0.12747%0.468CS..Hα-helixtrans-58.1-42.8177.2176.30000110.6N218 F219 N226 A227 E228 E231N218-V222 PolarHBondContact O-N 2.86Å; F219-V222 PolarHBondContact O-N 3.27Å; V222-N226 PolarHBondContact O-N 3.31Å; V222-A227 HydrophobicContact CG1-CB 4.39Å; V222-A227 PolarHBondContact O-N 3.26Å; V222-E228 HydrophobicContact CG1-CG 4.17Å; V222-E231 HydrophobicContact CG1-CG 4.21Å; V222-E231 HydrophobicContact CG2-CG 4.09Å
223K96.3Very high95.8Very high133 Ų13390.8 Ų90.858%0.57849%0.488SS*.Hα-helixtrans-68.7-46.7177.3-73.7-74.5168.2-164.40112.7F219 E220 T221 C225 N226 E228F219-K223 WeakPolarHBondContact O-CB 3.3Å; F219-K223 VanDerWaalsContact O-CG 3.31Å; F219-K223 WeakPolarHBondContact O-CG 3.32Å; F219-K223 PolarHBondContact O-N 2.81Å; E220-K223 PolarHBondContact O-N 3.48Å; T221-K223 VanDerWaalsContact C-N 3.27Å; T221-K223 PolarHBondContact O-N 2.91Å; K223-C225 VanDerWaalsContact C-N 3.25Å; K223-C225 PolarHBondContact O-N 3.12Å; K223-N226 PolarHBondContact O-N 3.06Å; K223-E228 WeakPolarHBondContact CD-OE1 3.43Å; K223-E228 WeakPolarHBondContact CE-OE1 3.43Å; K223-E228 IonicContact NZ-OE1 2.63Å; K223-E228 PolarHBondContact NZ-OE1 2.92Å
224C96.6Very high95.8Very high115 Ų11591.5 Ų91.578%0.77748%0.482SS*.Hα-helixtrans-61.7-34.3178.4-72.50000112.5E220 T221E220-C224 WeakPolarHBondContact O-CB 3.5Å; E220-C224 PolarHBondContact O-N 3.23Å; E220-C224 PolarHBondContact O-SG 3.04Å; T221-C224 PolarHBondContact O-N 3.41Å
225C96.8Very high95.9Very high89 Ų8992 Ų9260%0.60148%0.479SS*.THydrogen-bonded Turntrans-90-0.4179.5-640000114.4T221 K223 A227T221-C225 WeakPolarHBondContact O-CB 3.35Å; T221-C225 PolarHBondContact O-N 3.43Å; T221-C225 PolarHBondContact O-SG 3.48Å; T221-C225 VanDerWaalsContact O-SG 3.41Å; K223-C225 VanDerWaalsContact C-N 3.25Å; K223-C225 PolarHBondContact O-N 3.12Å; C225-A227 HydrophobicContact CB-CB 4.2Å; C225-A227 PolarHBondContact O-N 3.21Å
226N95.5Very high96Very high136 Ų13694.2 Ų94.273%0.72749%0.488SS*.THydrogen-bonded Turntrans50.842.6-173.8-170.544.4000112.4V222 K223 E228V222-N226 PolarHBondContact O-N 3.31Å; K223-N226 PolarHBondContact O-N 3.06Å; N226-E228 WeakPolarHBondContact CA-OE2 3.38Å; N226-E228 PolarHBondContact OD1-OE2 3.1Å
227A95.6Very high96.1Very high26 Ų2690.3 Ų90.322%0.21548%0.475CS..  trans-98.912-169.700000113.8V222 C225 E229 A230 E231V222-A227 HydrophobicContact CG1-CB 4.39Å; V222-A227 PolarHBondContact O-N 3.26Å; C225-A227 HydrophobicContact CB-CB 4.2Å; C225-A227 PolarHBondContact O-N 3.21Å; A227-E229 PolarHBondContact O-N 2.88Å; A227-A230 PolarHBondContact O-N 2.84Å; A227-A230 VanDerWaalsContact O-N 3.13Å; A227-E231 PolarHBondContact O-N 3.46Å
228E96.2Very high96.2Very high65 Ų6584.9 Ų84.930%0.30445%0.45SS..Hα-helixtrans-57.8-45.2-173.8-64.995.5142.200113.1V222 K223 N226 E231 L232V222-E228 HydrophobicContact CG1-CG 4.17Å; K223-E228 WeakPolarHBondContact CD-OE1 3.43Å; K223-E228 WeakPolarHBondContact CE-OE1 3.43Å; K223-E228 IonicContact NZ-OE1 2.63Å; K223-E228 PolarHBondContact NZ-OE1 2.92Å; N226-E228 WeakPolarHBondContact CA-OE2 3.38Å; N226-E228 PolarHBondContact OD1-OE2 3.1Å; E228-E231 PolarHBondContact O-N 3.11Å; E228-L232 WeakPolarHBondContact O-CB 3.44Å; E228-L232 PolarHBondContact O-N 2.88Å
229E97.1Very high96.2Very high123 Ų12383.7 Ų83.758%0.57544%0.444SS*.Hα-helixtrans-68-34.3178.3-82.2-68.2158.900112.6A227 K233A227-E229 PolarHBondContact O-N 2.88Å; E229-K233 WeakPolarHBondContact O-CB 3.47Å; E229-K233 VanDerWaalsContact O-CG 3.29Å; E229-K233 WeakPolarHBondContact O-CG 3.31Å; E229-K233 PolarHBondContact O-N 3.41Å
230A95.9Very high96.2Very high60 Ų6083.8 Ų83.850%0.49644%0.444SS..Hα-helixtrans-68.2-44.6176.600000110.7A227 K233 R234A227-A230 PolarHBondContact O-N 2.84Å; A227-A230 VanDerWaalsContact O-N 3.13Å; A230-K233 PolarHBondContact O-N 3.28Å; A230-R234 WeakPolarHBondContact O-CB 3.3Å; A230-R234 PolarHBondContact O-N 3.14Å
231E95.4Very high96.1Very high38 Ų3883.7 Ų83.718%0.17844%0.441CS..Hα-helixtrans-64.2-41.5174.8-76.4-56131.200112.1V222 A227 E228 K233 R234 Y235V222-E231 HydrophobicContact CG1-CG 4.21Å; V222-E231 HydrophobicContact CG2-CG 4.09Å; A227-E231 PolarHBondContact O-N 3.46Å; E228-E231 PolarHBondContact O-N 3.11Å; E231-K233 VanDerWaalsContact C-N 3.34Å; E231-K233 PolarHBondContact O-N 3Å; E231-R234 VanDerWaalsContact CD-NH2 3.3Å; E231-R234 WeakPolarHBondContact O-CB 3.45Å; E231-R234 PolarHBondContact O-N 3.02Å; E231-R234 IonicContact OE1-CZ 3.79Å; E231-R234 IonicContact OE1-NE 3.55Å; E231-R234 PolarHBondContact OE1-NE 3.27Å; E231-R234 VanDerWaalsContact OE1-NE 3.1Å; E231-R234 IonicContact OE1-NH1 3.81Å; E231-R234 IonicContact OE1-NH2 3.85Å; E231-R234 PolarHBondContact OE1-NH2 3.03Å; E231-R234 IonicContact OE2-CZ 3.84Å; E231-R234 IonicContact OE2-NE 4Å; E231-R234 PolarHBondContact OE2-NE 3.38Å; E231-R234 IonicContact OE2-NH2 3.84Å; E231-R234 PolarHBondContact OE2-NH2 3.4Å; E231-Y235 WeakPolarHBondContact O-CB 3.39Å; E231-Y235 PolarHBondContact O-N 3.27Å
232L96Very high95.9Very high100 Ų10082.5 Ų82.552%0.52443%0.428SS..Hα-helixtrans-61.1-41.8175.5-174.865.7000111.9E228 Y235 N236E228-L232 WeakPolarHBondContact O-CB 3.44Å; E228-L232 PolarHBondContact O-N 2.88Å; L232-Y235 PolarHBondContact O-N 3.27Å; L232-N236 VanDerWaalsContact O-CB 3.32Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 3.38Å
233K97.5Very high95.6Very high144 Ų14487 Ų8763%0.62645%0.447SS*.Hα-helixtrans-64.3-41.9174.6-74.9172-173.8173.10111.9E229 A230 E231 N236 A237E229-K233 WeakPolarHBondContact O-CB 3.47Å; E229-K233 VanDerWaalsContact O-CG 3.29Å; E229-K233 WeakPolarHBondContact O-CG 3.31Å; E229-K233 PolarHBondContact O-N 3.41Å; A230-K233 PolarHBondContact O-N 3.28Å; E231-K233 VanDerWaalsContact C-N 3.34Å; E231-K233 PolarHBondContact O-N 3Å; K233-N236 PolarHBondContact O-N 2.82Å; K233-A237 WeakPolarHBondContact O-CB 3.5Å; K233-A237 PolarHBondContact O-N 3.23Å
234R94.8Very high95.3Very high97 Ų9786 Ų8637%0.36645%0.452SS..Hα-helixtrans-60.4-46.2175.8-164.6172.370.9144.25.4110.5L211 D214 A230 E231 A237 G238L211-R234 HydrophobicContact CD1-CG 3.99Å; L211-R234 HydrophobicContact CD2-CB 4.46Å; L211-R234 HydrophobicContact CD2-CG 3.99Å; L211-R234 HydrophobicContact CG-CG 4.48Å; D214-R234 IonicContact OD2-NH2 2.96Å; A230-R234 WeakPolarHBondContact O-CB 3.3Å; A230-R234 PolarHBondContact O-N 3.14Å; E231-R234 VanDerWaalsContact CD-NH2 3.3Å; E231-R234 WeakPolarHBondContact O-CB 3.45Å; E231-R234 PolarHBondContact O-N 3.02Å; E231-R234 IonicContact OE1-CZ 3.79Å; E231-R234 IonicContact OE1-NE 3.55Å; E231-R234 PolarHBondContact OE1-NE 3.27Å; E231-R234 VanDerWaalsContact OE1-NE 3.1Å; E231-R234 IonicContact OE1-NH1 3.81Å; E231-R234 IonicContact OE1-NH2 3.85Å; E231-R234 PolarHBondContact OE1-NH2 3.03Å; E231-R234 IonicContact OE2-CZ 3.84Å; E231-R234 IonicContact OE2-NE 4Å; E231-R234 PolarHBondContact OE2-NE 3.38Å; E231-R234 IonicContact OE2-NH2 3.84Å; E231-R234 PolarHBondContact OE2-NH2 3.4Å; R234-A237 PolarHBondContact O-N 3.45Å; R234-G238 PolarHBondContact O-N 2.99Å; R234-G238 VanDerWaalsContact O-N 3.12Å
235Y96.1Very high94.9Very high87 Ų8781 Ų8134%0.34142%0.418SS..Hα-helixtrans-63.6-46.9177.1-169.6-113000112.4L208 L211 A212 E231 L232 A237 G238 I239L208-Y235 HydrophobicContact CD1-CD2 3.68Å; L208-Y235 HydrophobicContact CD1-CE2 3.35Å; L208-Y235 HydrophobicContact CD1-CG 4.49Å; L208-Y235 HydrophobicContact CG-CE2 3.93Å; L211-Y235 HydrophobicContact CD2-CD2 4.18Å; A212-Y235 HydrophobicContact CB-CD2 4.48Å; A212-Y235 HydrophobicContact CB-CE2 3.87Å; E231-Y235 WeakPolarHBondContact O-CB 3.39Å; E231-Y235 PolarHBondContact O-N 3.27Å; L232-Y235 PolarHBondContact O-N 3.27Å; Y235-A237 VanDerWaalsContact C-N 3.31Å; Y235-A237 PolarHBondContact O-N 3.34Å; Y235-G238 WeakPolarHBondContact O-CA 3.27Å; Y235-G238 PolarHBondContact O-N 3.3Å; Y235-I239 HydrophobicContact CD1-CD1 3.81Å; Y235-I239 HydrophobicContact CD1-CG1 4.42Å; Y235-I239 HydrophobicContact CE1-CD1 3.58Å; Y235-I239 HydrophobicContact CE1-CG1 4.22Å; Y235-I239 PolarHBondContact O-N 3.31Å
236N97.2Very high94.4Very high76 Ų7681.1 Ų81.141%0.40641%0.41SS..Hα-helixtrans-60-38.6175.7-173.525.1000112.5L232 K233 G238 I239 K240L232-N236 VanDerWaalsContact O-CB 3.32Å; L232-N236 WeakPolarHBondContact O-CB 3.5Å; L232-N236 PolarHBondContact O-N 3.38Å; K233-N236 PolarHBondContact O-N 2.82Å; N236-G238 VanDerWaalsContact C-N 3.31Å; N236-G238 PolarHBondContact O-N 3.2Å; N236-I239 PolarHBondContact O-N 3.37Å; N236-K240 WeakPolarHBondContact O-CG 3.31Å; N236-K240 PolarHBondContact O-N 3.22Å
237A96.3Very high94Very high49 Ų4979.7 Ų79.741%0.40540%0.398SS..Hα-helixtrans-63.6-37.1173.800000112.2K233 R234 Y235 K241K233-A237 WeakPolarHBondContact O-CB 3.5Å; K233-A237 PolarHBondContact O-N 3.23Å; R234-A237 PolarHBondContact O-N 3.45Å; Y235-A237 VanDerWaalsContact C-N 3.31Å; Y235-A237 PolarHBondContact O-N 3.34Å; A237-K241 WeakPolarHBondContact O-CG 2.98Å; A237-K241 PolarHBondContact O-N 3.38Å; A237-K241 VanDerWaalsContact O-N 3.17Å
238G95.2Very high93.5Very high18 Ų1879.7 Ų79.719%0.18640%0.395CS..Hα-helixtrans-61.1-49.1170.700000112.3R234 Y235 N236 K240 K241 Y242R234-G238 PolarHBondContact O-N 2.99Å; R234-G238 VanDerWaalsContact O-N 3.12Å; Y235-G238 WeakPolarHBondContact O-CA 3.27Å; Y235-G238 PolarHBondContact O-N 3.3Å; N236-G238 VanDerWaalsContact C-N 3.31Å; N236-G238 PolarHBondContact O-N 3.2Å; G238-K240 VanDerWaalsContact C-N 3.33Å; G238-K240 PolarHBondContact O-N 3.44Å; G238-K241 WeakPolarHBondContact O-CB 3.45Å; G238-K241 PolarHBondContact O-N 3.35Å; G238-K241 VanDerWaalsContact O-N 3.17Å; G238-Y242 PolarHBondContact O-N 3.34Å
239I96.2Very high93.1Very high47 Ų4779.6 Ų79.624%0.24140%0.401CS..Hα-helixtrans-56.9-46.3176.9-65.9174000110.9L208 Y235 N236 K241 Y242 Q243L208-I239 HydrophobicContact CD1-CG1 3.86Å; L208-I239 HydrophobicContact CD2-CG1 4.08Å; Y235-I239 HydrophobicContact CD1-CD1 3.81Å; Y235-I239 HydrophobicContact CD1-CG1 4.42Å; Y235-I239 HydrophobicContact CE1-CD1 3.58Å; Y235-I239 HydrophobicContact CE1-CG1 4.22Å; Y235-I239 PolarHBondContact O-N 3.31Å; N236-I239 PolarHBondContact O-N 3.37Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.34Å; I239-Y242 WeakPolarHBondContact O-CB 3.4Å; I239-Y242 PolarHBondContact O-N 3.35Å; I239-Y242 VanDerWaalsContact O-N 3.17Å; I239-Q243 HydrophobicContact CG2-CG 4.15Å; I239-Q243 WeakPolarHBondContact O-CG 3.38Å; I239-Q243 PolarHBondContact O-N 2.99Å
240K95.7Very high92.7Very high122 Ų12280 Ų8053%0.5341%0.406SS..Hα-helixtrans-60.3-41.5178.7-74.6-179.3-179-177.90112.4N236 G238 Y242 Q243 V244N236-K240 WeakPolarHBondContact O-CG 3.31Å; N236-K240 PolarHBondContact O-N 3.22Å; G238-K240 VanDerWaalsContact C-N 3.33Å; G238-K240 PolarHBondContact O-N 3.44Å; K240-Y242 VanDerWaalsContact C-N 3.34Å; K240-Q243 PolarHBondContact O-N 2.93Å; K240-V244 VanDerWaalsContact O-CG2 3.32Å; K240-V244 WeakPolarHBondContact O-CG2 3.15Å; K240-V244 PolarHBondContact O-N 2.96Å; K240-V244 VanDerWaalsContact O-N 3.07Å
241K92.9Very high92.5Very high129 Ų12977.3 Ų77.356%0.56138%0.384SS*.Hα-helixtrans-61.7-43.7175.4-73176.4-179.1178.10111.2A237 G238 I239 T245A237-K241 WeakPolarHBondContact O-CG 2.98Å; A237-K241 PolarHBondContact O-N 3.38Å; A237-K241 VanDerWaalsContact O-N 3.17Å; G238-K241 WeakPolarHBondContact O-CB 3.45Å; G238-K241 PolarHBondContact O-N 3.35Å; G238-K241 VanDerWaalsContact O-N 3.17Å; I239-K241 VanDerWaalsContact C-N 3.33Å; I239-K241 PolarHBondContact O-N 3.34Å; K241-T245 PolarHBondContact O-N 3.13Å; K241-T245 PolarHBondContact O-OG1 2.92Å
242Y92.7Very high92.2Very high58 Ų5879.4 Ų79.423%0.22740%0.396CS..Hα-helixtrans-61.6-47.7175.7173.9-96.4000112.2M201 R204 D205 G238 I239 K240 V244 T245 E246M201-Y242 HydrophobicContact CG-CD2 4.42Å; M201-Y242 HydrophobicContact CG-CE2 3.67Å; R204-Y242 HydrophobicContact CB-CD2 4.12Å; D205-Y242 HydrophobicContact CB-CD2 4.08Å; D205-Y242 HydrophobicContact CB-CE2 3.81Å; G238-Y242 PolarHBondContact O-N 3.34Å; I239-Y242 WeakPolarHBondContact O-CB 3.4Å; I239-Y242 PolarHBondContact O-N 3.35Å; I239-Y242 VanDerWaalsContact O-N 3.17Å; K240-Y242 VanDerWaalsContact C-N 3.34Å; Y242-V244 PolarHBondContact O-N 3Å; Y242-T245 WeakPolarHBondContact CA-OG1 3.48Å; Y242-T245 CarbonylContact O-C 3.59Å; Y242-T245 WeakPolarHBondContact O-CA 3.08Å; Y242-T245 PolarHBondContact O-N 3.32Å; Y242-T245 PolarHBondContact O-OG1 3.2Å; Y242-E246 PolarHBondContact O-N 2.82Å
243Q91.9Very high92Very high114 Ų11478.2 Ų78.253%0.53340%0.397SS..Hα-helixtrans-60.4-41.5179.4-74.4176.8-26.800112.9I239 K240 T245 E246I239-Q243 HydrophobicContact CG2-CG 4.15Å; I239-Q243 WeakPolarHBondContact O-CG 3.38Å; I239-Q243 PolarHBondContact O-N 2.99Å; K240-Q243 PolarHBondContact O-N 2.93Å; Q243-T245 PolarHBondContact O-N 3.32Å; Q243-E246 VanDerWaalsContact O-CB 3.28Å; Q243-E246 WeakPolarHBondContact O-CB 3.48Å; Q243-E246 PolarHBondContact O-N 3.4Å
244V89.7Confident91.8Very high112 Ų11275.3 Ų75.368%0.67939%0.387SS*.Hα-helixtrans-64.3-27.6177.1172.70000111.9K240 Y242 E246K240-V244 VanDerWaalsContact O-CG2 3.32Å; K240-V244 WeakPolarHBondContact O-CG2 3.15Å; K240-V244 PolarHBondContact O-N 2.96Å; K240-V244 VanDerWaalsContact O-N 3.07Å; Y242-V244 PolarHBondContact O-N 3Å; V244-E246 VanDerWaalsContact C-N 3.34Å
245T88.1Confident91.6Very high10 Ų1071.1 Ų71.16%0.06137%0.372CS..THydrogen-bonded Turntrans-84.4-2.3175.5570000114.2E200 R204 K241 Y242 Q243 K247E200-T245 HydrophobicContact CG-CG2 3.92Å; R204-T245 HydrophobicContact CG-CG2 3.84Å; K241-T245 PolarHBondContact O-N 3.13Å; K241-T245 PolarHBondContact O-OG1 2.92Å; Y242-T245 WeakPolarHBondContact CA-OG1 3.48Å; Y242-T245 CarbonylContact O-C 3.59Å; Y242-T245 WeakPolarHBondContact O-CA 3.08Å; Y242-T245 PolarHBondContact O-N 3.32Å; Y242-T245 PolarHBondContact O-OG1 3.2Å; Q243-T245 PolarHBondContact O-N 3.32Å; T245-K247 PolarHBondContact O-N 3.23Å
246E86.2Confident91.4Very high92 Ų9269.7 Ų69.743%0.4337%0.371SS..THydrogen-bonded Turntrans-73.641.9179.6-153.3-169.9150.100113.4Y242 Q243 V244 T248Y242-E246 PolarHBondContact O-N 2.82Å; Q243-E246 VanDerWaalsContact O-CB 3.28Å; Q243-E246 WeakPolarHBondContact O-CB 3.48Å; Q243-E246 PolarHBondContact O-N 3.4Å; V244-E246 VanDerWaalsContact C-N 3.34Å; E246-T248 PolarHBondContact O-N 2.68Å
247K86.5Confident91.2Very high107 Ų10772.3 Ų72.347%0.46538%0.382SS..Hα-helixtrans-73.7-10.5171.7-64178.2-177.5171.90112.2F197 T245 S249 L250 S251F197-K247 HydrophobicContact CD1-CB 4.11Å; F197-K247 HydrophobicContact CD1-CD 4.24Å; F197-K247 HydrophobicContact CE1-CD 4.18Å; F197-K247 HydrophobicContact CG-CB 4.27Å; T245-K247 PolarHBondContact O-N 3.23Å; K247-S249 VanDerWaalsContact C-N 3.33Å; K247-S249 PolarHBondContact O-N 2.89Å; K247-L250 PolarHBondContact O-N 3.1Å; K247-S251 WeakPolarHBondContact O-CB 3.38Å; K247-S251 PolarHBondContact O-N 3.28Å; K247-S251 PolarHBondContact O-OG 3.4Å
248T85.7Confident91.1Very high26 Ų2671.6 Ų71.616%0.1637%0.373CS..Hα-helixtrans-56.1-45.4178.5-56.50000111.5M201 E246 S251 L252M201-T248 HydrophobicContact SD-CG2 4.37Å; M201-T248 PolarHBondContact SD-OG1 3.5Å; M201-T248 VanDerWaalsContact SD-OG1 3.34Å; E246-T248 PolarHBondContact O-N 2.68Å; T248-S251 PolarHBondContact O-N 2.93Å; T248-S251 PolarHBondContact O-OG 2.97Å; T248-L252 PolarHBondContact O-N 3.18Å
249S87.3Confident90.9Very high63 Ų6370.9 Ų70.944%0.44136%0.364SS..Hα-helixtrans-64.5-45179.1-60.10000112.3K247 S251 L252 S253K247-S249 VanDerWaalsContact C-N 3.33Å; K247-S249 PolarHBondContact O-N 2.89Å; S249-S251 PolarHBondContact O-N 3.45Å; S249-L252 WeakPolarHBondContact O-CB 3.23Å; S249-L252 PolarHBondContact O-N 3.1Å; S249-L252 VanDerWaalsContact O-N 3.17Å; S249-S253 PolarHBondContact O-N 3.28Å; S249-S253 PolarHBondContact O-OG 3.35Å
250L90.1Very high90.8Very high130 Ų13072.6 Ų72.668%0.68137%0.374SS*.Hα-helixtrans-61.1-43.3175.2-72.5170.2000112K247 L252 S253 L254K247-L250 PolarHBondContact O-N 3.1Å; L250-L252 VanDerWaalsContact C-N 3.28Å; L250-L252 PolarHBondContact O-N 3.44Å; L250-S253 PolarHBondContact O-N 3.07Å; L250-L254 PolarHBondContact O-N 3.41Å
251S91.2Very high90.7Very high4 Ų470 Ų703%0.02837%0.371CS..Hα-helixtrans-67-27.7177.373.90000113.1R194 K247 T248 S249 L255R194-S251 WeakPolarHBondContact CD-OG 3.42Å; R194-S251 VanDerWaalsContact CG-OG 3.24Å; R194-S251 WeakPolarHBondContact CG-OG 3.48Å; R194-S251 PolarHBondContact NH1-O 3.09Å; K247-S251 WeakPolarHBondContact O-CB 3.38Å; K247-S251 PolarHBondContact O-N 3.28Å; K247-S251 PolarHBondContact O-OG 3.4Å; T248-S251 PolarHBondContact O-N 2.93Å; T248-S251 PolarHBondContact O-OG 2.97Å; S249-S251 PolarHBondContact O-N 3.45Å; S251-L255 PolarHBondContact O-N 3.22Å
252L89.7Confident90.8Very high82 Ų8264.9 Ų64.943%0.42935%0.351SS..Hα-helixtrans-69.2-45.7171.3-176.260000111.6T248 S249 L250 L254 L255 N256T248-L252 PolarHBondContact O-N 3.18Å; S249-L252 WeakPolarHBondContact O-CB 3.23Å; S249-L252 PolarHBondContact O-N 3.1Å; S249-L252 VanDerWaalsContact O-N 3.17Å; L250-L252 VanDerWaalsContact C-N 3.28Å; L250-L252 PolarHBondContact O-N 3.44Å; L252-L254 VanDerWaalsContact C-N 3.31Å; L252-L254 PolarHBondContact O-N 3.49Å; L252-L255 HydrophobicContact CD1-CD2 4.41Å; L252-L255 WeakPolarHBondContact O-CB 3.42Å; L252-L255 PolarHBondContact O-N 3.48Å; L252-N256 PolarHBondContact O-N 3.39Å
253S91.7Very high90.7Very high76 Ų7663.2 Ų63.253%0.53135%0.346SS..Hα-helixtrans-59.6-41.4174.9-61.50000112.2S249 L250 L255 N256 M257S249-S253 PolarHBondContact O-N 3.28Å; S249-S253 PolarHBondContact O-OG 3.35Å; L250-S253 PolarHBondContact O-N 3.07Å; S253-L255 PolarHBondContact O-N 3.04Å; S253-N256 PolarHBondContact O-N 3.15Å; S253-M257 WeakPolarHBondContact O-CB 3.33Å; S253-M257 PolarHBondContact O-N 3.3Å
254L92.6Very high90.8Very high82 Ų8261.4 Ų61.443%0.42935%0.345SS..Hα-helixtrans-61.7-41.3175.9-177.364.5000112.6W193 L250 L252 T258W193-L254 HydrophobicContact CH2-CD2 4.33Å; W193-L254 HydrophobicContact CZ3-CD2 4.12Å; L250-L254 PolarHBondContact O-N 3.41Å; L252-L254 VanDerWaalsContact C-N 3.31Å; L252-L254 PolarHBondContact O-N 3.49Å; L254-T258 WeakPolarHBondContact O-CB 3.37Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 3Å
255L91.3Very high91Very high9 Ų958.8 Ų58.85%0.04734%0.336CS..Hα-helixtrans-60.5-53.4173.8177.181.2000110.6T187 I190 S251 L252 S253 M257 T258 Q259T187-L255 HydrophobicContact CG2-CD1 4.44Å; I190-L255 HydrophobicContact CB-CD1 3.81Å; I190-L255 HydrophobicContact CD1-CD1 4.37Å; I190-L255 HydrophobicContact CG2-CB 3.94Å; I190-L255 HydrophobicContact CG2-CD1 3.74Å; I190-L255 HydrophobicContact CG2-CG 4.49Å; S251-L255 PolarHBondContact O-N 3.22Å; L252-L255 HydrophobicContact CD1-CD2 4.41Å; L252-L255 WeakPolarHBondContact O-CB 3.42Å; L252-L255 PolarHBondContact O-N 3.48Å; S253-L255 PolarHBondContact O-N 3.04Å; L255-M257 VanDerWaalsContact C-N 3.25Å; L255-M257 PolarHBondContact O-N 3.02Å; L255-T258 PolarHBondContact O-N 3.49Å; L255-T258 VanDerWaalsContact O-N 3.12Å; L255-Q259 HydrophobicContact CD1-CG 4.3Å; L255-Q259 HydrophobicContact CG-CG 4.19Å; L255-Q259 WeakPolarHBondContact O-CB 3.3Å; L255-Q259 VanDerWaalsContact O-CG 3.32Å; L255-Q259 WeakPolarHBondContact O-CG 3.33Å; L255-Q259 PolarHBondContact O-N 3.35Å
256N91.3Very high91.2Very high58 Ų5858.5 Ų58.531%0.3134%0.335SS..Hα-helixtrans-60.3-39.3-177-68.1-12.9000110.9L252 S253 Q259 N260L252-N256 PolarHBondContact O-N 3.39Å; S253-N256 PolarHBondContact O-N 3.15Å; N256-Q259 PolarHBondContact O-N 3.48Å; N256-N260 VanDerWaalsContact O-CB 3.3Å; N256-N260 WeakPolarHBondContact O-CB 3.33Å; N256-N260 VanDerWaalsContact O-CG 3.26Å; N256-N260 PolarHBondContact O-N 3.39Å; N256-N260 PolarHBondContact O-ND2 3.07Å
257M93.8Very high91.5Very high130 Ų13056.5 Ų56.564%0.6433%0.327SS*.Hα-helixtrans-63.7-44.8175.4-174.6178.5179.600111.9S253 L255 S261S253-M257 WeakPolarHBondContact O-CB 3.33Å; S253-M257 PolarHBondContact O-N 3.3Å; L255-M257 VanDerWaalsContact C-N 3.25Å; L255-M257 PolarHBondContact O-N 3.02Å; M257-S261 WeakPolarHBondContact O-CB 3.5Å; M257-S261 PolarHBondContact O-N 3.47Å; M257-S261 PolarHBondContact O-OG 3.33Å
258T93.4Very high91.9Very high35 Ų3556.3 Ų56.322%0.21533%0.33CS..Hα-helixtrans-63.9-46.4177.6-550000110.9F186 I190 L254 L255 S261 V262F186-T258 HydrophobicContact CB-CG2 4.18Å; F186-T258 HydrophobicContact CG-CG2 4.28Å; I190-T258 HydrophobicContact CD1-CG2 3.79Å; L254-T258 WeakPolarHBondContact O-CB 3.37Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 3Å; L255-T258 PolarHBondContact O-N 3.49Å; L255-T258 VanDerWaalsContact O-N 3.12Å; T258-S261 WeakPolarHBondContact O-CB 3.37Å; T258-S261 PolarHBondContact O-N 2.95Å; T258-V262 WeakPolarHBondContact O-CG2 3.4Å; T258-V262 PolarHBondContact O-N 3.21Å
259Q91.7Very high92.3Very high3 Ų357.3 Ų57.31%0.01434%0.341CS..Hα-helixtrans-58.7-50.7177.5-79-179.3-19.700111.8Y183 T187 L255 N256 S261 V262 I263Y183-Q259 HydrophobicContact CD2-CB 4.36Å; Y183-Q259 HydrophobicContact CD2-CG 4.25Å; Y183-Q259 HydrophobicContact CE2-CB 3.54Å; Y183-Q259 HydrophobicContact CE2-CG 3.45Å; Y183-Q259 VanDerWaalsContact CE2-CG 3.45Å; Y183-Q259 PolarHBondContact OH-NE2 2.86Å; Y183-Q259 PolarHBondContact OH-OE1 2.94Å; T187-Q259 PolarHBondContact OG1-NE2 2.91Å; L255-Q259 HydrophobicContact CD1-CG 4.3Å; L255-Q259 HydrophobicContact CG-CG 4.19Å; L255-Q259 WeakPolarHBondContact O-CB 3.3Å; L255-Q259 VanDerWaalsContact O-CG 3.32Å; L255-Q259 WeakPolarHBondContact O-CG 3.33Å; L255-Q259 PolarHBondContact O-N 3.35Å; N256-Q259 PolarHBondContact O-N 3.48Å; Q259-S261 VanDerWaalsContact C-N 3.3Å; Q259-S261 PolarHBondContact O-N 3.5Å; Q259-V262 PolarHBondContact O-N 2.92Å; Q259-I263 WeakPolarHBondContact O-CD1 3.4Å; Q259-I263 VanDerWaalsContact O-CG1 3.25Å; Q259-I263 WeakPolarHBondContact O-CG1 3.21Å; Q259-I263 PolarHBondContact O-N 3.33Å; Q259-I263 VanDerWaalsContact O-N 3.09Å
260N92.5Very high92.5Very high82 Ų8254.3 Ų54.344%0.43932%0.32SS..Hα-helixtrans-59.9-40.6175.6-74.8-24.1000111.8N256 V262 I263 S264N256-N260 VanDerWaalsContact O-CB 3.3Å; N256-N260 WeakPolarHBondContact O-CB 3.33Å; N256-N260 VanDerWaalsContact O-CG 3.26Å; N256-N260 PolarHBondContact O-N 3.39Å; N256-N260 PolarHBondContact O-ND2 3.07Å; N260-V262 PolarHBondContact O-N 3.39Å; N260-I263 PolarHBondContact O-N 2.99Å; N260-S264 VanDerWaalsContact O-CB 3.31Å; N260-S264 WeakPolarHBondContact O-CB 3.44Å; N260-S264 PolarHBondContact O-N 3.34Å; N260-S264 PolarHBondContact O-OG 2.83Å; N260-S264 VanDerWaalsContact O-OG 3.05Å
261S94.5Very high92.6Very high67 Ų6749 Ų4947%0.46929%0.294SS..Hα-helixtrans-62.4-42.8178-580000112.3M257 T258 Q259 A265M257-S261 WeakPolarHBondContact O-CB 3.5Å; M257-S261 PolarHBondContact O-N 3.47Å; M257-S261 PolarHBondContact O-OG 3.33Å; T258-S261 WeakPolarHBondContact O-CB 3.37Å; T258-S261 PolarHBondContact O-N 2.95Å; Q259-S261 VanDerWaalsContact C-N 3.3Å; Q259-S261 PolarHBondContact O-N 3.5Å; S261-A265 VanDerWaalsContact O-CB 3.31Å; S261-A265 WeakPolarHBondContact O-CB 3.34Å; S261-A265 PolarHBondContact O-N 3.12Å
262V93.9Very high92.7Very high22 Ų2254.1 Ų54.113%0.13332%0.32CS..Hα-helixtrans-63.5-43.9177.1173.10000111.1T179 A182 F186 T258 Q259 N260 A265 G266T179-V262 HydrophobicContact CG2-CG1 4.1Å; A182-V262 HydrophobicContact CB-CG1 4.22Å; F186-V262 HydrophobicContact CD2-CG2 3.88Å; F186-V262 HydrophobicContact CE2-CG2 4.27Å; T258-V262 WeakPolarHBondContact O-CG2 3.4Å; T258-V262 PolarHBondContact O-N 3.21Å; Q259-V262 PolarHBondContact O-N 2.92Å; N260-V262 PolarHBondContact O-N 3.39Å; V262-A265 PolarHBondContact O-N 3.36Å; V262-G266 PolarHBondContact O-N 3.05Å
263I91.6Very high92.7Very high24 Ų2451.8 Ų51.812%0.12331%0.308CS..Hα-helixtrans-67.3-46.3179.3-61151.5000110.8Y183 Q259 N260 A265 G266 L267 Y301Y183-I263 HydrophobicContact CD2-CD1 4.32Å; Y183-I263 HydrophobicContact CD2-CG1 4.12Å; Y183-I263 HydrophobicContact CE2-CD1 3.98Å; Y183-I263 HydrophobicContact CE2-CG1 4.28Å; Q259-I263 WeakPolarHBondContact O-CD1 3.4Å; Q259-I263 VanDerWaalsContact O-CG1 3.25Å; Q259-I263 WeakPolarHBondContact O-CG1 3.21Å; Q259-I263 PolarHBondContact O-N 3.33Å; Q259-I263 VanDerWaalsContact O-N 3.09Å; N260-I263 PolarHBondContact O-N 2.99Å; I263-A265 VanDerWaalsContact C-N 3.27Å; I263-A265 PolarHBondContact O-N 2.86Å; I263-G266 PolarHBondContact O-N 3.42Å; I263-L267 VanDerWaalsContact O-CB 3.27Å; I263-L267 WeakPolarHBondContact O-CB 3.46Å; I263-L267 PolarHBondContact O-N 3.17Å; I263-Y301 HydrophobicContact CD1-CD1 3.89Å; I263-Y301 HydrophobicContact CD1-CD2 3.21Å; I263-Y301 HydrophobicContact CD1-CE1 3.67Å; I263-Y301 HydrophobicContact CD1-CE2 3.02Å; I263-Y301 HydrophobicContact CD1-CG 3.65Å; I263-Y301 HydrophobicContact CG1-CD2 3.89Å; I263-Y301 HydrophobicContact CG1-CE2 4.1Å; I263-Y301 HydrophobicContact CG1-CG 4.3Å
264S93.1Very high92.7Very high75 Ų7548.2 Ų48.252%0.52428%0.283SS..Hα-helixtrans-60.6-38.9177.4-67.30000111.2N260 L268N260-S264 VanDerWaalsContact O-CB 3.31Å; N260-S264 WeakPolarHBondContact O-CB 3.44Å; N260-S264 PolarHBondContact O-N 3.34Å; N260-S264 PolarHBondContact O-OG 2.83Å; N260-S264 VanDerWaalsContact O-OG 3.05Å; S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.38Å
265A94.7Very high92.5Very high58 Ų5846.9 Ų46.948%0.47928%0.284SS..Hα-helixtrans-65.1-44.7174.400000112.3S261 V262 I263 L268 A269S261-A265 VanDerWaalsContact O-CB 3.31Å; S261-A265 WeakPolarHBondContact O-CB 3.34Å; S261-A265 PolarHBondContact O-N 3.12Å; V262-A265 PolarHBondContact O-N 3.36Å; I263-A265 VanDerWaalsContact C-N 3.27Å; I263-A265 PolarHBondContact O-N 2.86Å; A265-L268 PolarHBondContact O-N 3.04Å; A265-A269 WeakPolarHBondContact O-CB 3.42Å; A265-A269 PolarHBondContact O-N 3.31Å
266G93.2Very high92.5Very high4 Ų452.2 Ų52.24%0.04130%0.304CS..Hα-helixtrans-64.2-45.8176.400000112.7T179 V262 I263 A269 G270 Y293T179-G266 WeakPolarHBondContact OG1-CA 3.39Å; V262-G266 PolarHBondContact O-N 3.05Å; I263-G266 PolarHBondContact O-N 3.42Å; G266-A269 PolarHBondContact O-N 2.76Å; G266-G270 PolarHBondContact O-N 3.02Å; G266-Y293 PolarHBondContact O-OH 2.63Å; G266-Y293 VanDerWaalsContact O-OH 3.12Å
267L92.6Very high92.4Very high50 Ų5050.1 Ų50.126%0.26229%0.292SS..Hα-helixtrans-62.8-42.4175.8-175.565.2000110.9I263 S271 Y293 A294I263-L267 VanDerWaalsContact O-CB 3.27Å; I263-L267 WeakPolarHBondContact O-CB 3.46Å; I263-L267 PolarHBondContact O-N 3.17Å; L267-S271 WeakPolarHBondContact O-CA 3.32Å; L267-S271 WeakPolarHBondContact O-CB 3.42Å; L267-S271 PolarHBondContact O-N 3Å; L267-S271 PolarHBondContact O-OG 3.3Å; L267-Y293 HydrophobicContact CD1-CE1 4.3Å; L267-A294 HydrophobicContact CD1-CB 4.21Å
268L94.2Very high92.1Very high103 Ų10346 Ų4654%0.53927%0.274SS..Hα-helixtrans-62.1-48.7175-176.674000111.2S264 A265 G270 S271 L272S264-L268 WeakPolarHBondContact O-CB 3.42Å; S264-L268 PolarHBondContact O-N 3.38Å; A265-L268 PolarHBondContact O-N 3.04Å; L268-G270 PolarHBondContact O-N 2.86Å; L268-S271 VanDerWaalsContact CA-OG 3.25Å; L268-S271 WeakPolarHBondContact CA-OG 3.3Å; L268-S271 PolarHBondContact O-N 3.18Å; L268-S271 PolarHBondContact O-OG 3.32Å; L268-L272 HydrophobicContact CD1-CD1 4.19Å; L268-L272 HydrophobicContact CD1-CG 4.37Å; L268-L272 HydrophobicContact CG-CD1 3.94Å; L268-L272 HydrophobicContact CG-CG 4.44Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 VanDerWaalsContact O-CG 3.22Å; L268-L272 WeakPolarHBondContact O-CG 3.24Å; L268-L272 PolarHBondContact O-N 3.48Å
269A94.1Very high91.9Very high46 Ų4648.2 Ų48.238%0.3830%0.296SS..Hα-helixtrans-60.2-49.1-178.600000112I175 A265 G266 L273I175-A269 HydrophobicContact CG2-CB 4.43Å; A265-A269 WeakPolarHBondContact O-CB 3.42Å; A265-A269 PolarHBondContact O-N 3.31Å; G266-A269 PolarHBondContact O-N 2.76Å; A269-L273 PolarHBondContact O-N 3.41Å; A269-L273 VanDerWaalsContact O-N 3.1Å
270G91.9Very high91.6Very high0 Ų050.5 Ų50.50%031%0.313CS..Hα-helixtrans-79.1-25.9178.800000114.4G266 L268 L273 C274 Y293G266-G270 PolarHBondContact O-N 3.02Å; L268-G270 PolarHBondContact O-N 2.86Å; G270-L273 PolarHBondContact O-N 3.25Å; G270-C274 VanDerWaalsContact O-CB 3.29Å; G270-C274 WeakPolarHBondContact O-CB 3.32Å; G270-C274 PolarHBondContact O-N 3.45Å; G270-Y293 VanDerWaalsContact C-CE1 3.49Å; G270-Y293 VanDerWaalsContact CA-OH 3.27Å; G270-Y293 WeakPolarHBondContact CA-OH 3.36Å
271S91.4Very high91Very high19 Ų1955.2 Ų55.213%0.13333%0.329CS..Hα-helixtrans-65.5-43170.1570000111.5L267 L268 L273 C274 A275L267-S271 WeakPolarHBondContact O-CA 3.32Å; L267-S271 WeakPolarHBondContact O-CB 3.42Å; L267-S271 PolarHBondContact O-N 3Å; L267-S271 PolarHBondContact O-OG 3.3Å; L268-S271 VanDerWaalsContact CA-OG 3.25Å; L268-S271 WeakPolarHBondContact CA-OG 3.3Å; L268-S271 PolarHBondContact O-N 3.18Å; L268-S271 PolarHBondContact O-OG 3.32Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 PolarHBondContact O-N 3.13Å; S271-C274 PolarHBondContact O-N 2.99Å; S271-A275 WeakPolarHBondContact O-CB 3.42Å; S271-A275 PolarHBondContact O-N 3.04Å
272L92.6Very high89.9Confident111 Ų11156.5 Ų56.558%0.58133%0.326SS*.Hα-helixtrans-62.4-40.7173.6-71.5172.5000111.5L268 A275 Y276L268-L272 HydrophobicContact CD1-CD1 4.19Å; L268-L272 HydrophobicContact CD1-CG 4.37Å; L268-L272 HydrophobicContact CG-CD1 3.94Å; L268-L272 HydrophobicContact CG-CG 4.44Å; L268-L272 WeakPolarHBondContact O-CB 3.49Å; L268-L272 VanDerWaalsContact O-CG 3.22Å; L268-L272 WeakPolarHBondContact O-CG 3.24Å; L268-L272 PolarHBondContact O-N 3.48Å; L272-A275 PolarHBondContact O-N 3.12Å; L272-Y276 WeakPolarHBondContact O-CB 3.32Å; L272-Y276 PolarHBondContact O-N 3.33Å
273L91.4Very high88.9Confident34 Ų3462.1 Ų62.118%0.17835%0.351CS..Hα-helixtrans-66.7-44.5176.2-172.365.5000112.2M171 F172 I175 A269 G270 S271 Y276 F277M171-L273 HydrophobicContact CB-CD2 3.96Å; F172-L273 HydrophobicContact CD1-CD2 4.17Å; F172-L273 HydrophobicContact CD2-CD2 4.15Å; F172-L273 HydrophobicContact CE1-CB 4.11Å; F172-L273 HydrophobicContact CE1-CD2 3.88Å; F172-L273 HydrophobicContact CE1-CG 4.09Å; F172-L273 HydrophobicContact CE2-CD2 3.89Å; F172-L273 HydrophobicContact CE2-CG 4.16Å; F172-L273 HydrophobicContact CG-CD2 4.3Å; F172-L273 HydrophobicContact CZ-CB 4.11Å; F172-L273 HydrophobicContact CZ-CD2 3.74Å; F172-L273 HydrophobicContact CZ-CG 3.71Å; I175-L273 HydrophobicContact CD1-CD2 3.78Å; A269-L273 PolarHBondContact O-N 3.41Å; A269-L273 VanDerWaalsContact O-N 3.1Å; G270-L273 PolarHBondContact O-N 3.25Å; S271-L273 VanDerWaalsContact C-N 3.34Å; S271-L273 PolarHBondContact O-N 3.13Å; L273-Y276 PolarHBondContact O-N 2.95Å; L273-F277 HydrophobicContact CD1-CD2 4.27Å; L273-F277 HydrophobicContact CD1-CE2 3.7Å; L273-F277 HydrophobicContact CD1-CZ 4.13Å; L273-F277 HydrophobicContact CD2-CE2 4.14Å; L273-F277 HydrophobicContact CG-CD2 4.01Å; L273-F277 HydrophobicContact CG-CE2 3.66Å; L273-F277 VanDerWaalsContact O-CD2 3.31Å; L273-F277 WeakPolarHBondContact O-CD2 3.25Å; L273-F277 PolarHBondContact O-N 3.39Å
274C89.9Confident88.3Confident0 Ų063.8 Ų63.80%037%0.374CS..Hα-helixtrans-59.8-48.4173-910000110.9F172 G270 S271 Y276 F277 V278 Y290F172-C274 HydrophobicContact CE1-CB 4.3Å; F172-C274 WeakPolarHBondContact CE1-SG 3.34Å; F172-C274 HydrophobicContact CZ-CB 4.31Å; F172-C274 WeakPolarHBondContact CZ-SG 3.46Å; G270-C274 VanDerWaalsContact O-CB 3.29Å; G270-C274 WeakPolarHBondContact O-CB 3.32Å; G270-C274 PolarHBondContact O-N 3.45Å; S271-C274 PolarHBondContact O-N 2.99Å; C274-Y276 VanDerWaalsContact C-N 3.31Å; C274-Y276 PolarHBondContact O-N 3.26Å; C274-F277 PolarHBondContact O-N 3.39Å; C274-V278 WeakPolarHBondContact O-CB 3.49Å; C274-V278 VanDerWaalsContact O-CG2 3.29Å; C274-V278 WeakPolarHBondContact O-CG2 3.42Å; C274-V278 PolarHBondContact O-N 3.02Å; C274-Y290 HydrophobicContact CB-CD2 4.18Å
275A89.6Confident87.7Confident54 Ų5461.3 Ų61.345%0.44635%0.354SS..Hα-helixtrans-60.7-41.1178.700000111.4S271 L272 V278 A279S271-A275 WeakPolarHBondContact O-CB 3.42Å; S271-A275 PolarHBondContact O-N 3.04Å; L272-A275 PolarHBondContact O-N 3.12Å; A275-V278 PolarHBondContact O-N 3.43Å; A275-A279 WeakPolarHBondContact O-CB 3.43Å; A275-A279 PolarHBondContact O-N 3.15Å
276Y91.1Very high87.2Confident122 Ų12259.5 Ų59.548%0.47834%0.337SS..Hα-helixtrans-62.4-43.5174.2175-99.8000112.3L272 L273 C274 S280 K282L272-Y276 WeakPolarHBondContact O-CB 3.32Å; L272-Y276 PolarHBondContact O-N 3.33Å; L273-Y276 PolarHBondContact O-N 2.95Å; C274-Y276 VanDerWaalsContact C-N 3.31Å; C274-Y276 PolarHBondContact O-N 3.26Å; Y276-S280 WeakPolarHBondContact CE2-OG 3.38Å; Y276-S280 WeakPolarHBondContact O-CB 3.31Å; Y276-S280 PolarHBondContact O-N 3.48Å; Y276-S280 PolarHBondContact O-OG 3.15Å; Y276-K282 PolarHBondContact OH-NZ 2.93Å
277F89.8Confident86.7Confident14 Ų1463.2 Ų63.26%0.06136%0.359CS..Hα-helixtrans-69.1-38.6177.8-75.3-47.3000113.1F172 L273 C274 K281 K282 F285F172-F277 AromaticContact CE2-CD2 3.64Å; F172-F277 HydrophobicContact CE2-CD2 3.64Å; F172-F277 AromaticContact CE2-CE2 3.61Å; F172-F277 HydrophobicContact CE2-CE2 3.61Å; F172-F277 AromaticContact CZ-CD2 3.82Å; F172-F277 HydrophobicContact CZ-CD2 3.82Å; F172-F277 HydrophobicContact CZ-CE2 4.1Å; L273-F277 HydrophobicContact CD1-CD2 4.27Å; L273-F277 HydrophobicContact CD1-CE2 3.7Å; L273-F277 HydrophobicContact CD1-CZ 4.13Å; L273-F277 HydrophobicContact CD2-CE2 4.14Å; L273-F277 HydrophobicContact CG-CD2 4.01Å; L273-F277 HydrophobicContact CG-CE2 3.66Å; L273-F277 VanDerWaalsContact O-CD2 3.31Å; L273-F277 WeakPolarHBondContact O-CD2 3.25Å; L273-F277 PolarHBondContact O-N 3.39Å; C274-F277 PolarHBondContact O-N 3.39Å; F277-K281 PolarHBondContact O-N 3.38Å; F277-K281 VanDerWaalsContact O-N 3.11Å; F277-K282 HydrophobicContact CD1-CB 3.77Å; F277-K282 HydrophobicContact CD1-CD 4.2Å; F277-K282 HydrophobicContact CE1-CB 4.43Å; F277-K282 HydrophobicContact CE1-CD 4.29Å; F277-K282 PolarHBondContact O-N 3.23Å; F277-F285 HydrophobicContact CB-CB 4.16Å; F277-F285 HydrophobicContact CB-CD1 4.29Å; F277-F285 HydrophobicContact CB-CD2 4.18Å; F277-F285 HydrophobicContact CB-CG 3.96Å
278V87Confident86.2Confident42 Ų4261 Ų6126%0.25535%0.348SS..Hα-helixtrans-65.1-47.1174.2173.60000110.6C274 A275 K281 F285C274-V278 WeakPolarHBondContact O-CB 3.49Å; C274-V278 VanDerWaalsContact O-CG2 3.29Å; C274-V278 WeakPolarHBondContact O-CG2 3.42Å; C274-V278 PolarHBondContact O-N 3.02Å; A275-V278 PolarHBondContact O-N 3.43Å; V278-K281 PolarHBondContact O-N 2.88Å; V278-F285 HydrophobicContact CG2-CB 3.94Å
279A88.2Confident85.8Confident83 Ų8356.2 Ų56.269%0.68632%0.323SS*.Hα-helixtrans-66.2-40.6179.200000112.5A275 K281A275-A279 WeakPolarHBondContact O-CB 3.43Å; A275-A279 PolarHBondContact O-N 3.15Å; A279-K281 PolarHBondContact O-N 3.2Å
280S86.5Confident85.5Confident51 Ų5158.6 Ų58.636%0.35732%0.323SS..THydrogen-bonded Turntrans-77.6-2.1177.4-54.80000113.4Y276 K282Y276-S280 WeakPolarHBondContact CE2-OG 3.38Å; Y276-S280 WeakPolarHBondContact O-CB 3.31Å; Y276-S280 PolarHBondContact O-N 3.48Å; Y276-S280 PolarHBondContact O-OG 3.15Å; S280-K282 PolarHBondContact O-N 3.34Å
281K78.8Confident85.3Confident181 Ų18161 Ų6179%0.78734%0.337SS*.THydrogen-bonded Turntrans48.528.4-172.1-61.9-176.6179.2178.10113.6F277 V278 A279F277-K281 PolarHBondContact O-N 3.38Å; F277-K281 VanDerWaalsContact O-N 3.11Å; V278-K281 PolarHBondContact O-N 2.88Å; A279-K281 PolarHBondContact O-N 3.2Å
282K73.2Confident85.1Confident94 Ų9460 Ų6041%0.40933%0.331SS..G310 helixtrans-78.4139.7-179.8-85.9-178.2177.8174.60109.3Y276 F277 S280 G284 F285Y276-K282 PolarHBondContact OH-NZ 2.93Å; F277-K282 HydrophobicContact CD1-CB 3.77Å; F277-K282 HydrophobicContact CD1-CD 4.2Å; F277-K282 HydrophobicContact CE1-CB 4.43Å; F277-K282 HydrophobicContact CE1-CD 4.29Å; F277-K282 PolarHBondContact O-N 3.23Å; S280-K282 PolarHBondContact O-N 3.34Å; K282-G284 PolarHBondContact O-N 3.41Å; K282-F285 PolarHBondContact O-N 2.91Å
283H72.6Confident85Confident139 Ų13954.8 Ų54.864%0.64430%0.303SS*.G310 helixtrans57.717.9175.4-54.3-72.2000116F285H283-F285 VanDerWaalsContact C-N 3.26Å; H283-F285 HydrophobicContact CB-CD2 3.79Å; H283-F285 HydrophobicContact CB-CE2 3.9Å; H283-F285 PolarHBondContact O-N 2.85Å
284G78Confident84.9Confident60 Ų6054 Ų5462%0.61930%0.301SS*.G310 helixtrans7020.117800000114.6K282 T286K282-G284 PolarHBondContact O-N 3.41Å; G284-T286 WeakPolarHBondContact O-CG2 3.22Å
285F81.9Confident84.8Confident23 Ų2355.6 Ų55.610%0.10132%0.315CS..  trans-60.7141.2177.7-89.5-108.6000112.3F168 F172 F277 V278 K282 H283 D289F168-F285 HydrophobicContact CB-CZ 3.91Å; F168-F285 HydrophobicContact CD1-CD1 4.48Å; F168-F285 AromaticContact CD1-CE1 3.26Å; F168-F285 HydrophobicContact CD1-CE1 3.26Å; F168-F285 AromaticContact CD1-CZ 3.49Å; F168-F285 HydrophobicContact CD1-CZ 3.49Å; F168-F285 VanDerWaalsContact CD1-CZ 3.49Å; F168-F285 HydrophobicContact CE1-CD1 4.45Å; F168-F285 AromaticContact CE1-CE1 3.56Å; F168-F285 HydrophobicContact CE1-CE1 3.56Å; F168-F285 HydrophobicContact CE1-CZ 4.2Å; F168-F285 HydrophobicContact CG-CE1 4.1Å; F168-F285 AromaticContact CG-CZ 3.88Å; F168-F285 HydrophobicContact CG-CZ 3.88Å; F172-F285 AromaticContact CE2-CE1 3.95Å; F172-F285 HydrophobicContact CE2-CE1 3.95Å; F172-F285 AromaticContact CE2-CZ 3.83Å; F172-F285 HydrophobicContact CE2-CZ 3.83Å; F172-F285 HydrophobicContact CZ-CE1 4.13Å; F172-F285 HydrophobicContact CZ-CZ 4.47Å; F277-F285 HydrophobicContact CB-CB 4.16Å; F277-F285 HydrophobicContact CB-CD1 4.29Å; F277-F285 HydrophobicContact CB-CD2 4.18Å; F277-F285 HydrophobicContact CB-CG 3.96Å; V278-F285 HydrophobicContact CG2-CB 3.94Å; K282-F285 PolarHBondContact O-N 2.91Å; H283-F285 VanDerWaalsContact C-N 3.26Å; H283-F285 HydrophobicContact CB-CD2 3.79Å; H283-F285 HydrophobicContact CB-CE2 3.9Å; H283-F285 PolarHBondContact O-N 2.85Å; F285-D289 WeakPolarHBondContact CA-OD2 3.48Å; F285-D289 HydrophobicContact CD1-CB 3.83Å; F285-D289 HydrophobicContact CE1-CB 4.28Å
286T83.2Confident84.9Confident20 Ų2053.2 Ų53.212%0.12329%0.294CS..  trans-124.6163.3-174.367.40000110.9G284 G288 D289G284-T286 WeakPolarHBondContact O-CG2 3.22Å; T286-G288 PolarHBondContact O-N 2.93Å; T286-D289 WeakPolarHBondContact CB-OD2 3.28Å; T286-D289 PolarHBondContact N-OD2 2.86Å; T286-D289 WeakPolarHBondContact O-CB 3.29Å; T286-D289 PolarHBondContact O-N 3.01Å; T286-D289 PolarHBondContact OG1-N 3.1Å; T286-D289 PolarHBondContact OG1-OD2 3.39Å
287V83.6Confident84.8Confident82 Ų8247.6 Ų47.650%0.49727%0.272SS..Hα-helixtrans-58.8-33.2174.5-1650000111.4E48 D289 Y290 V291E48-V287 WeakPolarHBondContact OE1-CG1 3.47Å; V287-D289 PolarHBondContact O-N 3.35Å; V287-Y290 WeakPolarHBondContact O-CB 3.33Å; V287-Y290 PolarHBondContact O-N 3.24Å; V287-V291 PolarHBondContact O-N 2.95Å
288G81.6Confident84.7Confident3 Ų352.2 Ų52.23%0.03130%0.295CS..Hα-helixtrans-62.3-25172.700000114.9E48 T286 L292E48-G288 WeakPolarHBondContact OE2-CA 3.38Å; T286-G288 PolarHBondContact O-N 2.93Å; G288-L292 VanDerWaalsContact O-CB 3.29Å; G288-L292 WeakPolarHBondContact O-CB 3.48Å; G288-L292 PolarHBondContact O-N 3.02Å
289D86Confident84.8Confident3 Ų352.9 Ų52.92%0.01630%0.296CS..Hα-helixtrans-74.1-31.6174.5-60.6-49000111.8R45 F168 F285 T286 V287 Y293R45-D289 IonicContact CZ-OD1 3.16Å; R45-D289 IonicContact NE-OD1 2.9Å; R45-D289 PolarHBondContact NE-OD1 3.01Å; R45-D289 IonicContact NH2-OD1 3.19Å; R45-D289 PolarHBondContact NH2-OD1 3.41Å; R45-D289 IonicContact NH2-OD2 2.83Å; F168-D289 HydrophobicContact CE1-CB 3.99Å; F168-D289 HydrophobicContact CZ-CB 3.95Å; F285-D289 WeakPolarHBondContact CA-OD2 3.48Å; F285-D289 HydrophobicContact CD1-CB 3.83Å; F285-D289 HydrophobicContact CE1-CB 4.28Å; T286-D289 WeakPolarHBondContact CB-OD2 3.28Å; T286-D289 PolarHBondContact N-OD2 2.86Å; T286-D289 WeakPolarHBondContact O-CB 3.29Å; T286-D289 PolarHBondContact O-N 3.01Å; T286-D289 PolarHBondContact OG1-N 3.1Å; T286-D289 PolarHBondContact OG1-OD2 3.39Å; V287-D289 PolarHBondContact O-N 3.35Å; D289-Y293 WeakPolarHBondContact O-CB 3.17Å; D289-Y293 PolarHBondContact O-N 2.86Å
290Y87.5Confident84.8Confident95 Ų9549.3 Ų49.337%0.37327%0.265SS..Hα-helixtrans-67.3-47173.5166.8-100.6000111.2C274 V287 L292 Y293 A294C274-Y290 HydrophobicContact CB-CD2 4.18Å; V287-Y290 WeakPolarHBondContact O-CB 3.33Å; V287-Y290 PolarHBondContact O-N 3.24Å; Y290-L292 VanDerWaalsContact C-N 3.33Å; Y290-L292 PolarHBondContact O-N 3.03Å; Y290-Y293 PolarHBondContact O-N 3.28Å; Y290-A294 PolarHBondContact O-N 3.33Å
291V86.8Confident84.9Confident50 Ų5048.5 Ų48.530%0.30326%0.255SS..Hα-helixtrans-65.8-38.3177.2172.60000111.3E48 V287 Y293 A294 A295E48-V291 WeakPolarHBondContact OE2-CB 3.3Å; E48-V291 WeakPolarHBondContact OE2-CG2 3.48Å; V287-V291 PolarHBondContact O-N 2.95Å; V291-Y293 PolarHBondContact O-N 3.45Å; V291-A294 PolarHBondContact O-N 3.5Å; V291-A295 WeakPolarHBondContact O-CB 3.13Å; V291-A295 PolarHBondContact O-N 3.45Å
292L88Confident85.2Confident0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-56.8-49.1171.7179.167.1000111.4V41 L42 R45 Y163 F168 G288 Y290 Y296V41-L292 HydrophobicContact CG1-CD1 3.51Å; V41-L292 WeakPolarHBondContact O-CD1 3.44Å; L42-L292 HydrophobicContact CD2-CD1 4.44Å; R45-L292 HydrophobicContact CB-CB 4.13Å; R45-L292 HydrophobicContact CB-CD1 4.26Å; R45-L292 HydrophobicContact CB-CD2 4.23Å; R45-L292 HydrophobicContact CB-CG 4.44Å; R45-L292 HydrophobicContact CG-CB 4.44Å; R45-L292 HydrophobicContact CG-CD2 4.28Å; Y163-L292 HydrophobicContact CE1-CD2 4.06Å; Y163-L292 WeakPolarHBondContact OH-CD2 3.4Å; F168-L292 HydrophobicContact CE2-CD2 3.65Å; F168-L292 HydrophobicContact CZ-CD2 3.68Å; F168-L292 HydrophobicContact CZ-CG 4.35Å; G288-L292 VanDerWaalsContact O-CB 3.29Å; G288-L292 WeakPolarHBondContact O-CB 3.48Å; G288-L292 PolarHBondContact O-N 3.02Å; Y290-L292 VanDerWaalsContact C-N 3.33Å; Y290-L292 PolarHBondContact O-N 3.03Å; L292-Y296 VanDerWaalsContact O-CB 3.31Å; L292-Y296 WeakPolarHBondContact O-CB 3.22Å; L292-Y296 PolarHBondContact O-N 3.19Å
293Y90.4Very high85.8Confident0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-59.6-49.1178.3175.4-99.2000111.9F164 F172 V176 G266 L267 G270 D289 Y290 V291 Y296 I297F164-Y293 HydrophobicContact CD1-CD2 4.47Å; F164-Y293 AromaticContact CE1-CD2 3.77Å; F164-Y293 HydrophobicContact CE1-CD2 3.77Å; F164-Y293 AromaticContact CZ-CD2 3.89Å; F164-Y293 HydrophobicContact CZ-CD2 3.89Å; F172-Y293 AromaticContact CD1-CD2 3.92Å; F172-Y293 HydrophobicContact CD1-CD2 3.92Å; F172-Y293 AromaticContact CD1-CE2 3.81Å; F172-Y293 HydrophobicContact CD1-CE2 3.81Å; F172-Y293 HydrophobicContact CE1-CD2 4.39Å; F172-Y293 HydrophobicContact CE1-CE2 4.44Å; V176-Y293 HydrophobicContact CG2-CE2 4.3Å; G266-Y293 PolarHBondContact O-OH 2.63Å; G266-Y293 VanDerWaalsContact O-OH 3.12Å; L267-Y293 HydrophobicContact CD1-CE1 4.3Å; G270-Y293 VanDerWaalsContact C-CE1 3.49Å; G270-Y293 VanDerWaalsContact CA-OH 3.27Å; G270-Y293 WeakPolarHBondContact CA-OH 3.36Å; D289-Y293 WeakPolarHBondContact O-CB 3.17Å; D289-Y293 PolarHBondContact O-N 2.86Å; Y290-Y293 PolarHBondContact O-N 3.28Å; V291-Y293 PolarHBondContact O-N 3.45Å; Y293-Y296 PolarHBondContact O-N 3Å; Y293-I297 HydrophobicContact CD1-CD1 4.34Å; Y293-I297 HydrophobicContact CD2-CD1 4.19Å; Y293-I297 HydrophobicContact CE1-CD1 3.61Å; Y293-I297 HydrophobicContact CE2-CD1 3.43Å; Y293-I297 VanDerWaalsContact CE2-CD1 3.43Å; Y293-I297 HydrophobicContact CE2-CG1 4.23Å; Y293-I297 PolarHBondContact O-N 3.41Å; Y293-I297 VanDerWaalsContact O-N 3.09Å; Y293-I297 WeakPolarHBondContact OH-CD1 3.42Å
294A89.6Confident86.5Confident17 Ų1735.9 Ų35.914%0.1420%0.203CC..Hα-helixtrans-63.2-46.5-179.700000112L267 Y290 V291 I297 M298L267-A294 HydrophobicContact CD1-CB 4.21Å; Y290-A294 PolarHBondContact O-N 3.33Å; V291-A294 PolarHBondContact O-N 3.5Å; A294-I297 PolarHBondContact O-N 2.97Å; A294-M298 VanDerWaalsContact O-CG 3.31Å; A294-M298 WeakPolarHBondContact O-CG 3.27Å; A294-M298 PolarHBondContact O-N 2.95Å
295A88Confident86.9Confident34 Ų3436 Ų3628%0.28119%0.189SC..Hα-helixtrans-64.1-43179.500000111.9V291 M298 Q299V291-A295 WeakPolarHBondContact O-CB 3.13Å; V291-A295 PolarHBondContact O-N 3.45Å; A295-M298 PolarHBondContact O-N 3.17Å; A295-Q299 WeakPolarHBondContact O-CB 3.34Å; A295-Q299 PolarHBondContact O-N 3.03Å
296Y90.4Very high87.1Confident4 Ų441.9 Ų41.92%0.01621%0.211CC..Hα-helixtrans-63.3-47.1178.9-145.6135.3000111V41 A160 Y163 F164 L292 Y293 M298 Q299 L300V41-Y296 HydrophobicContact CB-CD1 4.22Å; V41-Y296 HydrophobicContact CG1-CD1 3.39Å; V41-Y296 HydrophobicContact CG1-CE1 4.14Å; V41-Y296 HydrophobicContact CG1-CG 3.63Å; A160-Y296 HydrophobicContact CB-CD2 4.13Å; A160-Y296 HydrophobicContact CB-CE2 3.54Å; Y163-Y296 HydrophobicContact CD1-CD1 4.36Å; Y163-Y296 HydrophobicContact CD1-CE1 4.01Å; Y163-Y296 HydrophobicContact CE1-CE1 4.46Å; Y163-Y296 HydrophobicContact CG-CE1 4.48Å; F164-Y296 HydrophobicContact CE2-CD1 4.18Å; F164-Y296 HydrophobicContact CE2-CG 4.06Å; F164-Y296 HydrophobicContact CZ-CD1 4.15Å; F164-Y296 HydrophobicContact CZ-CG 4.16Å; L292-Y296 VanDerWaalsContact O-CB 3.31Å; L292-Y296 WeakPolarHBondContact O-CB 3.22Å; L292-Y296 PolarHBondContact O-N 3.19Å; Y293-Y296 PolarHBondContact O-N 3Å; Y296-M298 VanDerWaalsContact C-N 3.34Å; Y296-M298 PolarHBondContact O-N 3.47Å; Y296-Q299 PolarHBondContact O-N 3.12Å; Y296-L300 HydrophobicContact CD2-CD1 3.84Å; Y296-L300 HydrophobicContact CD2-CD2 4.46Å; Y296-L300 HydrophobicContact CD2-CG 3.88Å; Y296-L300 HydrophobicContact CE2-CD1 4.18Å; Y296-L300 HydrophobicContact CE2-CD2 4.18Å; Y296-L300 HydrophobicContact CE2-CG 4.11Å; Y296-L300 WeakPolarHBondContact O-CG 3.36Å; Y296-L300 PolarHBondContact O-N 3.04Å
297I89.9Confident87.1Confident4 Ų442.3 Ų42.32%0.02121%0.212CC..Hα-helixtrans-61.3-43.6178.6-73.7-171.3000111.6V176 Y293 A294 Q299 L300 Y301V176-I297 HydrophobicContact CG2-CD1 4.21Å; V176-I297 HydrophobicContact CG2-CG1 4.37Å; Y293-I297 HydrophobicContact CD1-CD1 4.34Å; Y293-I297 HydrophobicContact CD2-CD1 4.19Å; Y293-I297 HydrophobicContact CE1-CD1 3.61Å; Y293-I297 HydrophobicContact CE2-CD1 3.43Å; Y293-I297 VanDerWaalsContact CE2-CD1 3.43Å; Y293-I297 HydrophobicContact CE2-CG1 4.23Å; Y293-I297 PolarHBondContact O-N 3.41Å; Y293-I297 VanDerWaalsContact O-N 3.09Å; Y293-I297 WeakPolarHBondContact OH-CD1 3.42Å; A294-I297 PolarHBondContact O-N 2.97Å; I297-Q299 VanDerWaalsContact C-N 3.29Å; I297-Q299 PolarHBondContact O-N 2.87Å; I297-L300 PolarHBondContact O-N 2.71Å; I297-Y301 PolarHBondContact O-N 3.38Å; I297-Y301 VanDerWaalsContact O-N 3.1Å
298M88.3Confident86.9Confident111 Ų11138.5 Ų38.555%0.54719%0.19SC..Hα-helixtrans-61.7-39176.9-72.3-179.77500111.7A294 A295 Y296 Y301 Q302A294-M298 VanDerWaalsContact O-CG 3.31Å; A294-M298 WeakPolarHBondContact O-CG 3.27Å; A294-M298 PolarHBondContact O-N 2.95Å; A295-M298 PolarHBondContact O-N 3.17Å; Y296-M298 VanDerWaalsContact C-N 3.34Å; Y296-M298 PolarHBondContact O-N 3.47Å; M298-Y301 PolarHBondContact O-N 3.35Å; M298-Q302 PolarHBondContact O-N 2.86Å
299Q87.5Confident87.1Confident56 Ų5640.5 Ų40.526%0.26220%0.201SC..Hα-helixtrans-66.6-41.3176.7179.8168.3-40.100112.9A37 V41 A295 Y296 I297 Y301 Q302 P303A37-Q299 PolarHBondContact O-NE2 3.35Å; V41-Q299 HydrophobicContact CG2-CB 4.5Å; V41-Q299 VanDerWaalsContact CG2-CD 3.47Å; A295-Q299 WeakPolarHBondContact O-CB 3.34Å; A295-Q299 PolarHBondContact O-N 3.03Å; Y296-Q299 PolarHBondContact O-N 3.12Å; I297-Q299 VanDerWaalsContact C-N 3.29Å; I297-Q299 PolarHBondContact O-N 2.87Å; Q299-Y301 PolarHBondContact O-N 3.3Å; Q299-Q302 PolarHBondContact O-N 2.92Å; Q299-P303 VanDerWaalsContact O-CD 3.25Å; Q299-P303 WeakPolarHBondContact O-CD 3.26Å
300L89.4Confident87.1Confident8 Ų841.9 Ų41.94%0.04221%0.206CC..Hα-helixtrans-63.5-32.2176.3-70.8168.7000112D156 I157 A160 V176 M180 Y296 I297 P303 L304D156-L300 HydrophobicContact CB-CD2 4.01Å; I157-L300 HydrophobicContact CG1-CD2 4.35Å; A160-L300 HydrophobicContact CB-CD1 3.55Å; A160-L300 HydrophobicContact CB-CD2 4.08Å; A160-L300 HydrophobicContact CB-CG 4.36Å; V176-L300 HydrophobicContact CG1-CD1 4.22Å; M180-L300 HydrophobicContact CE-CB 3.56Å; M180-L300 HydrophobicContact CE-CD1 3.86Å; M180-L300 HydrophobicContact CE-CG 4.37Å; M180-L300 HydrophobicContact SD-CB 4.44Å; Y296-L300 HydrophobicContact CD2-CD1 3.84Å; Y296-L300 HydrophobicContact CD2-CD2 4.46Å; Y296-L300 HydrophobicContact CD2-CG 3.88Å; Y296-L300 HydrophobicContact CE2-CD1 4.18Å; Y296-L300 HydrophobicContact CE2-CD2 4.18Å; Y296-L300 HydrophobicContact CE2-CG 4.11Å; Y296-L300 WeakPolarHBondContact O-CG 3.36Å; Y296-L300 PolarHBondContact O-N 3.04Å; I297-L300 PolarHBondContact O-N 2.71Å; L300-P303 WeakPolarHBondContact O-CD 3.31Å; L300-L304 WeakPolarHBondContact O-CD1 3.29Å
301Y87.2Confident86.9Confident35 Ų3540.7 Ų40.714%0.13720%0.202CC..Hα-helixtrans-70.4-35.4-179.9174-120.4000113.9Y183 I263 I297 M298 Q299 L304 N305Y183-Y301 HydrophobicContact CD2-CE2 4.42Å; Y183-Y301 AromaticContact CE2-CD2 3.86Å; Y183-Y301 HydrophobicContact CE2-CD2 3.86Å; Y183-Y301 AromaticContact CE2-CE2 3.4Å; Y183-Y301 HydrophobicContact CE2-CE2 3.4Å; Y183-Y301 VanDerWaalsContact CE2-CE2 3.4Å; Y183-Y301 AromaticContact CZ-CE2 3.57Å; Y183-Y301 WeakPolarHBondContact OH-CE2 3.38Å; I263-Y301 HydrophobicContact CD1-CD1 3.89Å; I263-Y301 HydrophobicContact CD1-CD2 3.21Å; I263-Y301 HydrophobicContact CD1-CE1 3.67Å; I263-Y301 HydrophobicContact CD1-CE2 3.02Å; I263-Y301 HydrophobicContact CD1-CG 3.65Å; I263-Y301 HydrophobicContact CG1-CD2 3.89Å; I263-Y301 HydrophobicContact CG1-CE2 4.1Å; I263-Y301 HydrophobicContact CG1-CG 4.3Å; I297-Y301 PolarHBondContact O-N 3.38Å; I297-Y301 VanDerWaalsContact O-N 3.1Å; M298-Y301 PolarHBondContact O-N 3.35Å; Q299-Y301 PolarHBondContact O-N 3.3Å; Y301-L304 HydrophobicContact CD2-CB 4.48Å; Y301-L304 WeakPolarHBondContact O-CB 3.5Å; Y301-L304 PolarHBondContact O-N 3.42Å; Y301-N305 HydrophobicContact CE2-CB 4.15Å; Y301-N305 PolarHBondContact O-N 3.37Å; Y301-N305 VanDerWaalsContact O-N 3.09Å
302Q85.8Confident86.7Confident119 Ų11940.6 Ų40.656%0.55620%0.196SC*.Hα-helixtrans-51-53.5-175.9-68.9-65-24.400113.9M298 Q299 L304M298-Q302 PolarHBondContact O-N 2.86Å; Q299-Q302 PolarHBondContact O-N 2.92Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 2.82Å
303P85.5Confident86.7Confident29 Ų2943.5 Ų43.519%0.18821%0.211CC..Hα-helixtrans-71.5-27.1177.628.6-35.8000113.3T153 Q299 L300 N305 W306T153-P303 HydrophobicContact CG2-CB 4.24Å; T153-P303 HydrophobicContact CG2-CG 4.04Å; T153-P303 WeakPolarHBondContact OG1-CB 3.14Å; Q299-P303 VanDerWaalsContact O-CD 3.25Å; Q299-P303 WeakPolarHBondContact O-CD 3.26Å; L300-P303 WeakPolarHBondContact O-CD 3.31Å; P303-N305 VanDerWaalsContact C-N 3.34Å; P303-N305 PolarHBondContact O-N 3.17Å; P303-W306 PolarHBondContact O-N 3.4Å
304L87.4Confident86.6Confident1 Ų144.5 Ų44.51%0.00522%0.216CC..Hα-helixtrans-67.4-32.7179.7-80.8169.1000112.8T153 I157 M180 Y183 L184 L300 Y301 Q302 W306 L307T153-L304 HydrophobicContact CG2-CD2 4.15Å; T153-L304 HydrophobicContact CG2-CG 4.12Å; I157-L304 HydrophobicContact CD1-CD1 4.32Å; I157-L304 HydrophobicContact CD1-CD2 4.25Å; M180-L304 HydrophobicContact CE-CD1 4.5Å; M180-L304 HydrophobicContact SD-CD1 3.27Å; M180-L304 WeakPolarHBondContact SD-CD1 3.5Å; Y183-L304 HydrophobicContact CD1-CB 4.06Å; Y183-L304 HydrophobicContact CD1-CD1 4.34Å; Y183-L304 HydrophobicContact CD1-CD2 4.17Å; Y183-L304 HydrophobicContact CD1-CG 4.45Å; Y183-L304 HydrophobicContact CE1-CB 3.62Å; Y183-L304 HydrophobicContact CE1-CD2 4.34Å; Y183-L304 HydrophobicContact CE1-CG 4.45Å; Y183-L304 PolarHBondContact OH-O 3.02Å; L184-L304 HydrophobicContact CD2-CD2 3.49Å; L184-L304 VanDerWaalsContact CD2-CD2 3.49Å; L184-L304 HydrophobicContact CG-CD2 4.14Å; L300-L304 WeakPolarHBondContact O-CD1 3.29Å; Y301-L304 HydrophobicContact CD2-CB 4.48Å; Y301-L304 WeakPolarHBondContact O-CB 3.5Å; Y301-L304 PolarHBondContact O-N 3.42Å; Q302-L304 VanDerWaalsContact C-N 3.33Å; Q302-L304 PolarHBondContact O-N 2.82Å; L304-W306 PolarHBondContact O-N 3.17Å; L304-L307 HydrophobicContact CD2-CD2 4.27Å; L304-L307 WeakPolarHBondContact O-CB 3.47Å; L304-L307 PolarHBondContact O-N 3.34Å
305N86.9Confident86.4Confident61 Ų6147.2 Ų47.233%0.32623%0.226SC..Hα-helixtrans-56.5-35.7175.5-168.310.6000112.4Y183 Y301 P303Y183-N305 WeakPolarHBondContact OH-CA 3.49Å; Y301-N305 HydrophobicContact CE2-CB 4.15Å; Y301-N305 PolarHBondContact O-N 3.37Å; Y301-N305 VanDerWaalsContact O-N 3.09Å; P303-N305 VanDerWaalsContact C-N 3.34Å; P303-N305 PolarHBondContact O-N 3.17Å
306W86.5Confident86.3Confident148 Ų14849.8 Ų49.856%0.56123%0.232SC*.THydrogen-bonded Turntrans-82.5-11.4178.9-69.189.6000113.9P303 L304 G308 T309 Y310P303-W306 PolarHBondContact O-N 3.4Å; L304-W306 PolarHBondContact O-N 3.17Å; W306-G308 VanDerWaalsContact C-N 3.35Å; W306-G308 PolarHBondContact O-N 3.07Å; W306-T309 CarbonylContact O-C 3.6Å; W306-T309 WeakPolarHBondContact O-CA 3.36Å; W306-T309 WeakPolarHBondContact O-CB 3.4Å; W306-T309 PolarHBondContact O-N 2.66Å; W306-Y310 HydrophobicContact CB-CD2 4.03Å; W306-Y310 HydrophobicContact CB-CE2 3.4Å; W306-Y310 VanDerWaalsContact CB-CE2 3.4Å; W306-Y310 WeakPolarHBondContact O-CD2 3.49Å; W306-Y310 PolarHBondContact O-N 3.33Å
307L83.1Confident86.3Confident28 Ų2849.9 Ų49.915%0.14723%0.234CC..Hα-helixtrans-63.2-38.4-172.8-161.981.8000112.9I150 L184 L304 T309 Y310 Y311I150-L307 HydrophobicContact CG1-CD1 4.06Å; L184-L307 HydrophobicContact CD2-CD2 3.04Å; L304-L307 HydrophobicContact CD2-CD2 4.27Å; L304-L307 WeakPolarHBondContact O-CB 3.47Å; L304-L307 PolarHBondContact O-N 3.34Å; L307-T309 PolarHBondContact O-N 3.42Å; L307-Y310 PolarHBondContact O-N 2.96Å; L307-Y311 WeakPolarHBondContact O-CB 3.45Å; L307-Y311 PolarHBondContact O-N 2.93Å
308G79.6Confident86.3Confident3 Ų354.7 Ų54.73%0.03125%0.254CS..Hα-helixtrans-61.8-31.6174.600000112.7W306 R312W306-G308 VanDerWaalsContact C-N 3.35Å; W306-G308 PolarHBondContact O-N 3.07Å; G308-R312 PolarHBondContact O-NH1 3.34Å
309T85Confident86.2Confident45 Ų4553.8 Ų53.828%0.27625%0.251SS..Hα-helixtrans-75.2-44.2173-65.60000111W306 L307 Y311 R312 L313W306-T309 CarbonylContact O-C 3.6Å; W306-T309 WeakPolarHBondContact O-CA 3.36Å; W306-T309 WeakPolarHBondContact O-CB 3.4Å; W306-T309 PolarHBondContact O-N 2.66Å; L307-T309 PolarHBondContact O-N 3.42Å; T309-Y311 VanDerWaalsContact C-N 3.33Å; T309-Y311 PolarHBondContact O-N 2.98Å; T309-R312 PolarHBondContact O-N 3.15Å; T309-R312 PolarHBondContact OG1-NH2 2.96Å; T309-L313 HydrophobicContact CG2-CD1 3.65Å; T309-L313 HydrophobicContact CG2-CG 4.25Å; T309-L313 VanDerWaalsContact O-CG 3.27Å; T309-L313 WeakPolarHBondContact O-CG 3.37Å; T309-L313 PolarHBondContact O-N 3.04Å
310Y86.2Confident86.4Confident32 Ų3252 Ų5213%0.12524%0.243CC..Hα-helixtrans-60.4-39.6175.5-63.7-44.4000112.8Y145 N149 W306 L307 R312 L313 I314Y145-Y310 AromaticContact CD1-CD1 3.42Å; Y145-Y310 HydrophobicContact CD1-CD1 3.42Å; Y145-Y310 VanDerWaalsContact CD1-CD1 3.42Å; Y145-Y310 AromaticContact CD1-CE1 3.53Å; Y145-Y310 HydrophobicContact CD1-CE1 3.53Å; Y145-Y310 HydrophobicContact CD1-CG 4.5Å; Y145-Y310 AromaticContact CE1-CD1 3.87Å; Y145-Y310 HydrophobicContact CE1-CD1 3.87Å; Y145-Y310 AromaticContact CE1-CE1 3.82Å; Y145-Y310 HydrophobicContact CE1-CE1 3.82Å; Y145-Y310 AromaticContact CG-CD1 3.87Å; Y145-Y310 HydrophobicContact CG-CD1 3.87Å; Y145-Y310 HydrophobicContact CG-CE1 4.41Å; N149-Y310 HydrophobicContact CB-CD2 4.09Å; N149-Y310 HydrophobicContact CB-CE2 3.61Å; N149-Y310 PolarHBondContact OD1-OH 3.36Å; W306-Y310 HydrophobicContact CB-CD2 4.03Å; W306-Y310 HydrophobicContact CB-CE2 3.4Å; W306-Y310 VanDerWaalsContact CB-CE2 3.4Å; W306-Y310 WeakPolarHBondContact O-CD2 3.49Å; W306-Y310 PolarHBondContact O-N 3.33Å; L307-Y310 PolarHBondContact O-N 2.96Å; Y310-R312 PolarHBondContact O-N 3.36Å; Y310-L313 HydrophobicContact CD1-CD1 4.46Å; Y310-L313 PolarHBondContact O-N 2.88Å; Y310-I314 WeakPolarHBondContact O-CB 3.31Å; Y310-I314 WeakPolarHBondContact O-CG1 3.44Å; Y310-I314 PolarHBondContact O-N 3.36Å
311Y83.5Confident86.4Confident69 Ų6951.9 Ų51.927%0.27124%0.242SC..Hα-helixtrans-56.1-51.1175.8-179.9-108000111.5T191 E192 L307 T309 L313 I314 Q315T191-Y311 HydrophobicContact CG2-CD1 4.21Å; E192-Y311 HydrophobicContact CG-CE1 3.94Å; E192-Y311 PolarHBondContact OE1-OH 3.47Å; L307-Y311 WeakPolarHBondContact O-CB 3.45Å; L307-Y311 PolarHBondContact O-N 2.93Å; T309-Y311 VanDerWaalsContact C-N 3.33Å; T309-Y311 PolarHBondContact O-N 2.98Å; Y311-L313 PolarHBondContact O-N 3.39Å; Y311-I314 PolarHBondContact O-N 2.95Å; Y311-Q315 HydrophobicContact CE1-CG 4.42Å; Y311-Q315 WeakPolarHBondContact O-CG 3.32Å; Y311-Q315 PolarHBondContact O-N 3.27Å; Y311-Q315 PolarHBondContact OH-NE2 3.38Å
312R82.3Confident86.5Confident48 Ų4853.2 Ų53.218%0.18125%0.252CS..Hα-helixtrans-62.8-43177.1-66.6-168.4-54.6-94.5-0.4112.2T191 G308 T309 Y310 I314 Q315 Q316T191-R312 HydrophobicContact CG2-CG 3.62Å; G308-R312 PolarHBondContact O-NH1 3.34Å; T309-R312 PolarHBondContact O-N 3.15Å; T309-R312 PolarHBondContact OG1-NH2 2.96Å; Y310-R312 PolarHBondContact O-N 3.36Å; R312-I314 VanDerWaalsContact C-N 3.31Å; R312-I314 PolarHBondContact O-N 3.1Å; R312-Q315 PolarHBondContact O-N 3.01Å; R312-Q316 WeakPolarHBondContact O-CB 3.5Å; R312-Q316 PolarHBondContact O-N 3.26Å
313L88.3Confident86.8Confident61 Ų6150.6 Ų50.632%0.31924%0.242SC..Hα-helixtrans-64.8-38-179.9-70.4168.6000111.4Y145 T309 Y310 Y311 Q316 S317Y145-L313 HydrophobicContact CD2-CB 4.1Å; Y145-L313 HydrophobicContact CE1-CD1 4.29Å; Y145-L313 HydrophobicContact CE2-CB 3.54Å; Y145-L313 HydrophobicContact CE2-CD1 3.98Å; Y145-L313 HydrophobicContact CE2-CG 4.3Å; T309-L313 HydrophobicContact CG2-CD1 3.65Å; T309-L313 HydrophobicContact CG2-CG 4.25Å; T309-L313 VanDerWaalsContact O-CG 3.27Å; T309-L313 WeakPolarHBondContact O-CG 3.37Å; T309-L313 PolarHBondContact O-N 3.04Å; Y310-L313 HydrophobicContact CD1-CD1 4.46Å; Y310-L313 PolarHBondContact O-N 2.88Å; Y311-L313 PolarHBondContact O-N 3.39Å; L313-Q316 PolarHBondContact O-N 2.95Å; L313-S317 WeakPolarHBondContact O-CB 3.4Å; L313-S317 PolarHBondContact O-N 3.12Å; L313-S317 PolarHBondContact O-OG 3.49Å
314I87.8Confident87.1Confident21 Ų2149.2 Ų49.211%0.10823%0.233CC..Hα-helixtrans-66.5-45.3174.9-73.4167.7000110.9Y145 L146 I150 Y310 Y311 R312 Q316 S317 F318Y145-I314 HydrophobicContact CD2-CG1 4.15Å; L146-I314 HydrophobicContact CD2-CD1 4.39Å; I150-I314 HydrophobicContact CD1-CD1 3.17Å; I150-I314 HydrophobicContact CG1-CD1 4.5Å; Y310-I314 WeakPolarHBondContact O-CB 3.31Å; Y310-I314 WeakPolarHBondContact O-CG1 3.44Å; Y310-I314 PolarHBondContact O-N 3.36Å; Y311-I314 PolarHBondContact O-N 2.95Å; R312-I314 VanDerWaalsContact C-N 3.31Å; R312-I314 PolarHBondContact O-N 3.1Å; I314-Q316 VanDerWaalsContact C-N 3.32Å; I314-Q316 PolarHBondContact O-N 3.05Å; I314-S317 PolarHBondContact O-N 2.9Å; I314-F318 HydrophobicContact CG2-CD2 3.61Å; I314-F318 HydrophobicContact CG2-CE2 3.38Å; I314-F318 WeakPolarHBondContact O-CD2 3.32Å; I314-F318 PolarHBondContact O-N 2.96Å
315Q85.2Confident87.2Confident74 Ų7450.4 Ų50.435%0.34624%0.238SC..Hα-helixtrans-57.5-45.8174.5-74.2-174.8-37.400111.6Y311 R312 F318 I319Y311-Q315 HydrophobicContact CE1-CG 4.42Å; Y311-Q315 WeakPolarHBondContact O-CG 3.32Å; Y311-Q315 PolarHBondContact O-N 3.27Å; Y311-Q315 PolarHBondContact OH-NE2 3.38Å; R312-Q315 PolarHBondContact O-N 3.01Å; Q315-F318 WeakPolarHBondContact O-CB 3.37Å; Q315-F318 PolarHBondContact O-N 2.88Å; Q315-I319 WeakPolarHBondContact O-CG1 3.49Å; Q315-I319 PolarHBondContact O-N 3.21Å; Q315-I319 VanDerWaalsContact O-N 3.15Å
316Q87.4Confident87.3Confident88 Ų8852.7 Ų52.741%0.41125%0.247SC..Hα-helixtrans-61.3-46175.2-177.159.54600111.6R312 L313 I314 F318 I319 D320R312-Q316 WeakPolarHBondContact O-CB 3.5Å; R312-Q316 PolarHBondContact O-N 3.26Å; L313-Q316 PolarHBondContact O-N 2.95Å; I314-Q316 VanDerWaalsContact C-N 3.32Å; I314-Q316 PolarHBondContact O-N 3.05Å; Q316-F318 VanDerWaalsContact C-N 3.26Å; Q316-F318 PolarHBondContact O-N 3.48Å; Q316-I319 PolarHBondContact O-N 3.01Å; Q316-I319 VanDerWaalsContact O-N 3.12Å; Q316-D320 VanDerWaalsContact NE2-CG 3.26Å; Q316-D320 PolarHBondContact NE2-OD1 3.49Å; Q316-D320 PolarHBondContact NE2-OD2 3.42Å; Q316-D320 PolarHBondContact O-N 3.47Å
317S90.4Very high87.5Confident7 Ų746.2 Ų46.25%0.04922%0.223CC..Hα-helixtrans-60.8-35.2177-66.20000112.4L313 I314 M321L313-S317 WeakPolarHBondContact O-CB 3.4Å; L313-S317 PolarHBondContact O-N 3.12Å; L313-S317 PolarHBondContact O-OG 3.49Å; I314-S317 PolarHBondContact O-N 2.9Å; S317-M321 VanDerWaalsContact O-CB 3.22Å; S317-M321 WeakPolarHBondContact O-CB 3.49Å; S317-M321 WeakPolarHBondContact O-CG 3.19Å; S317-M321 PolarHBondContact O-N 2.97Å
318F88.4Confident87.8Confident104 Ų10446.7 Ų46.746%0.45622%0.224SC..Hα-helixtrans-63.1-44.8172.9-85.5-65.7000112.4M142 I314 Q315 Q316 M321 D322M142-F318 HydrophobicContact SD-CE1 4.09Å; M142-F318 HydrophobicContact SD-CE2 4.39Å; M142-F318 HydrophobicContact SD-CZ 3.98Å; I314-F318 HydrophobicContact CG2-CD2 3.61Å; I314-F318 HydrophobicContact CG2-CE2 3.38Å; I314-F318 WeakPolarHBondContact O-CD2 3.32Å; I314-F318 PolarHBondContact O-N 2.96Å; Q315-F318 WeakPolarHBondContact O-CB 3.37Å; Q315-F318 PolarHBondContact O-N 2.88Å; Q316-F318 VanDerWaalsContact C-N 3.26Å; Q316-F318 PolarHBondContact O-N 3.48Å; F318-M321 HydrophobicContact CD1-CE 3.56Å; F318-M321 HydrophobicContact CE1-CE 3.94Å; F318-M321 HydrophobicContact CG-CE 4.16Å; F318-D322 VanDerWaalsContact O-CB 3.31Å; F318-D322 WeakPolarHBondContact O-CB 3.22Å; F318-D322 VanDerWaalsContact O-CG 3.32Å; F318-D322 PolarHBondContact O-N 2.98Å
319I87.8Confident88.2Confident93 Ų9349.2 Ų49.248%0.47725%0.25SS..Hα-helixtrans-63.5-47.8178.1-64.6166000110.8Q315 Q316 D322 N323Q315-I319 WeakPolarHBondContact O-CG1 3.49Å; Q315-I319 PolarHBondContact O-N 3.21Å; Q315-I319 VanDerWaalsContact O-N 3.15Å; Q316-I319 PolarHBondContact O-N 3.01Å; Q316-I319 VanDerWaalsContact O-N 3.12Å; I319-D322 WeakPolarHBondContact O-CB 3.5Å; I319-D322 PolarHBondContact O-N 3.2Å; I319-D322 VanDerWaalsContact O-N 3.15Å; I319-N323 PolarHBondContact O-N 3.48Å; I319-N323 PolarHBondContact O-ND2 3.35Å
320D91Very high88.5Confident17 Ų1749.3 Ų49.39%0.09125%0.248CC..Hα-helixtrans-66.6-39.2-178.6-72.3-33.1000112R134 S138 Q316 D322 M324R134-D320 HydrophobicContact CB-CB 4.31Å; S138-D320 VanDerWaalsContact OG-CB 3.28Å; S138-D320 WeakPolarHBondContact OG-CB 3.35Å; S138-D320 PolarHBondContact OG-OD2 3.09Å; Q316-D320 VanDerWaalsContact NE2-CG 3.26Å; Q316-D320 PolarHBondContact NE2-OD1 3.49Å; Q316-D320 PolarHBondContact NE2-OD2 3.42Å; Q316-D320 PolarHBondContact O-N 3.47Å; D320-D322 VanDerWaalsContact C-N 3.33Å; D320-M324 WeakPolarHBondContact O-CB 3.46Å; D320-M324 PolarHBondContact O-N 2.83Å
321M90.2Very high88.5Confident6 Ų651.9 Ų51.93%0.0327%0.268CS..Hα-helixtrans-62.9-40170.7-76.7-172.2-46.700111.9L7 V139 M142 S317 F318 M324 F325L7-M321 HydrophobicContact CD1-SD 4.06Å; V139-M321 HydrophobicContact CG2-CG 3.74Å; V139-M321 HydrophobicContact CG2-SD 3.84Å; M142-M321 HydrophobicContact CE-CE 3.69Å; M142-M321 HydrophobicContact CE-SD 3.59Å; M142-M321 VanDerWaalsContact CE-SD 3.59Å; M142-M321 HydrophobicContact SD-CE 3.36Å; M142-M321 WeakPolarHBondContact SD-CE 3.2Å; M142-M321 HydrophobicContact SD-SD 3.98Å; S317-M321 VanDerWaalsContact O-CB 3.22Å; S317-M321 WeakPolarHBondContact O-CB 3.49Å; S317-M321 WeakPolarHBondContact O-CG 3.19Å; S317-M321 PolarHBondContact O-N 2.97Å; F318-M321 HydrophobicContact CD1-CE 3.56Å; F318-M321 HydrophobicContact CE1-CE 3.94Å; F318-M321 HydrophobicContact CG-CE 4.16Å; M321-M324 WeakPolarHBondContact O-CB 3.39Å; M321-M324 PolarHBondContact O-N 2.65Å; M321-F325 HydrophobicContact CB-CD2 4.29Å; M321-F325 HydrophobicContact CB-CE2 4.01Å; M321-F325 WeakPolarHBondContact O-CD2 3.39Å; M321-F325 WeakPolarHBondContact O-CG 3.39Å; M321-F325 PolarHBondContact O-N 3.21Å
322D89.4Confident88.5Confident64 Ų6449.5 Ų49.534%0.34226%0.261SS..Hα-helixtrans-63.8-42.7179.3-85.5-3.8000111.9K3 F318 I319 D320 M324 F325 E326K3-D322 VanDerWaalsContact CD-OD1 3.27Å; K3-D322 WeakPolarHBondContact CD-OD1 3.44Å; K3-D322 IonicContact NZ-OD1 3.94Å; K3-D322 PolarHBondContact NZ-OD1 2.73Å; K3-D322 IonicContact NZ-OD2 3.78Å; K3-D322 PolarHBondContact NZ-OD2 3.09Å; F318-D322 VanDerWaalsContact O-CB 3.31Å; F318-D322 WeakPolarHBondContact O-CB 3.22Å; F318-D322 VanDerWaalsContact O-CG 3.32Å; F318-D322 PolarHBondContact O-N 2.98Å; I319-D322 WeakPolarHBondContact O-CB 3.5Å; I319-D322 PolarHBondContact O-N 3.2Å; I319-D322 VanDerWaalsContact O-N 3.15Å; D320-D322 VanDerWaalsContact C-N 3.33Å; D322-M324 VanDerWaalsContact C-N 3.34Å; D322-M324 PolarHBondContact O-N 3.35Å; D322-F325 PolarHBondContact O-N 3.42Å; D322-E326 WeakPolarHBondContact O-CB 3.47Å; D322-E326 PolarHBondContact O-N 3.43Å
323N90.7Very high88.4Confident63 Ų6351.7 Ų51.734%0.33728%0.277SS..Hα-helixtrans-61.6-41.2172.2-66.3-32.2000111.8I131 I319 E326 L327I131-N323 HydrophobicContact CG2-CB 4.02Å; I319-N323 PolarHBondContact O-N 3.48Å; I319-N323 PolarHBondContact O-ND2 3.35Å; N323-E326 PolarHBondContact O-N 3.48Å; N323-L327 PolarHBondContact O-N 3Å
324M91.6Very high88.3Confident1 Ų149.2 Ų49.21%0.00526%0.264CS..Hα-helixtrans-64.5-40.4175.8-172.2-166.56800111.9I104 L108 G135 V139 D320 M321 D322 L327 F328I104-M324 HydrophobicContact CG2-CE 4.35Å; I104-M324 HydrophobicContact CG2-SD 3.94Å; L108-M324 HydrophobicContact CD2-CG 3.62Å; L108-M324 HydrophobicContact CD2-SD 4.27Å; G135-M324 VanDerWaalsContact C-SD 3.56Å; V139-M324 HydrophobicContact CG2-CE 3.93Å; D320-M324 WeakPolarHBondContact O-CB 3.46Å; D320-M324 PolarHBondContact O-N 2.83Å; M321-M324 WeakPolarHBondContact O-CB 3.39Å; M321-M324 PolarHBondContact O-N 2.65Å; D322-M324 VanDerWaalsContact C-N 3.34Å; D322-M324 PolarHBondContact O-N 3.35Å; M324-L327 WeakPolarHBondContact O-CB 3.38Å; M324-L327 PolarHBondContact O-N 2.75Å; M324-F328 HydrophobicContact CE-CE2 4.49Å; M324-F328 HydrophobicContact CG-CD2 4.28Å; M324-F328 HydrophobicContact CG-CE2 4.34Å; M324-F328 WeakPolarHBondContact O-CD2 3.46Å; M324-F328 PolarHBondContact O-N 3.43Å; M324-F328 HydrophobicContact SD-CE2 4.46Å
325F89.4Confident88.3Confident25 Ų2554.5 Ų54.511%0.1129%0.286CS..Hα-helixtrans-69.4-36.1175.5-73.4-53.7000112.7K3 F6 L7 M321 D322 L327 F328 G329K3-F325 HydrophobicContact CB-CD2 4.12Å; K3-F325 HydrophobicContact CB-CE2 3.92Å; K3-F325 HydrophobicContact CB-CZ 4.37Å; K3-F325 HydrophobicContact CD-CD2 3.92Å; K3-F325 HydrophobicContact CD-CE2 4.47Å; K3-F325 HydrophobicContact CG-CD2 4.18Å; K3-F325 HydrophobicContact CG-CE2 4.48Å; F6-F325 HydrophobicContact CB-CE1 4.44Å; F6-F325 HydrophobicContact CD1-CD1 4.33Å; F6-F325 AromaticContact CD1-CE1 3.68Å; F6-F325 HydrophobicContact CD1-CE1 3.68Å; F6-F325 HydrophobicContact CE1-CE1 4.34Å; F6-F325 HydrophobicContact CG-CE1 4.37Å; L7-F325 HydrophobicContact CD1-CE2 4.37Å; L7-F325 HydrophobicContact CD1-CZ 3.74Å; L7-F325 HydrophobicContact CD2-CE1 4.09Å; L7-F325 HydrophobicContact CD2-CZ 3.78Å; L7-F325 HydrophobicContact CG-CE1 4.24Å; L7-F325 HydrophobicContact CG-CZ 3.61Å; M321-F325 HydrophobicContact CB-CD2 4.29Å; M321-F325 HydrophobicContact CB-CE2 4.01Å; M321-F325 WeakPolarHBondContact O-CD2 3.39Å; M321-F325 WeakPolarHBondContact O-CG 3.39Å; M321-F325 PolarHBondContact O-N 3.21Å; D322-F325 PolarHBondContact O-N 3.42Å; F325-L327 VanDerWaalsContact C-N 3.25Å; F325-L327 PolarHBondContact O-N 2.88Å; F325-F328 PolarHBondContact O-N 3.47Å; F325-G329 PolarHBondContact O-N 2.93Å
326E90.7Very high88.6Confident110 Ų11053.7 Ų53.751%0.51428%0.284SS..Hα-helixtrans-61-39.8172.2-172.1-176164.500110.7D322 N323 G329 Q330D322-E326 WeakPolarHBondContact O-CB 3.47Å; D322-E326 PolarHBondContact O-N 3.43Å; N323-E326 PolarHBondContact O-N 3.48Å; E326-G329 PolarHBondContact O-N 2.81Å; E326-Q330 WeakPolarHBondContact O-CG 3.44Å; E326-Q330 PolarHBondContact O-N 3.47Å; E326-Q330 PolarHBondContact O-NE2 2.96Å; E326-Q330 VanDerWaalsContact O-NE2 3.14Å
327L90.4Very high88.7Confident12 Ų1253.1 Ų53.16%0.06329%0.287CS..Hα-helixtrans-64.6-44.3174.3-17858.2000112.2L108 H111 I112 L115 W119 V128 I131 N323 M324 F325 G329 Q330L108-L327 HydrophobicContact CD1-CB 4.5Å; L108-L327 HydrophobicContact CD1-CD2 3.84Å; L108-L327 HydrophobicContact CD1-CG 3.88Å; L108-L327 HydrophobicContact CD2-CD2 4.33Å; L108-L327 HydrophobicContact CG-CD2 4.35Å; H111-L327 PolarHBondContact CD2-O 2.98Å; H111-L327 PolarHBondContact NE2-O 3.34Å; H111-L327 VanDerWaalsContact NE2-O 3.17Å; I112-L327 HydrophobicContact CD1-CD2 4.01Å; I112-L327 HydrophobicContact CG1-CD1 4.44Å; I112-L327 HydrophobicContact CG1-CD2 4.16Å; I112-L327 HydrophobicContact CG1-CG 4.41Å; L115-L327 HydrophobicContact CD1-CD1 4.23Å; W119-L327 HydrophobicContact CH2-CD1 3.54Å; W119-L327 HydrophobicContact CZ2-CD1 3.28Å; V128-L327 HydrophobicContact CG1-CD2 4.17Å; I131-L327 HydrophobicContact CG2-CD2 4.21Å; N323-L327 PolarHBondContact O-N 3Å; M324-L327 WeakPolarHBondContact O-CB 3.38Å; M324-L327 PolarHBondContact O-N 2.75Å; F325-L327 VanDerWaalsContact C-N 3.25Å; F325-L327 PolarHBondContact O-N 2.88Å; L327-G329 PolarHBondContact O-N 2.89Å; L327-Q330 PolarHBondContact O-N 3.49Å
328F88.3Confident88.6Confident37 Ų3760.7 Ų60.716%0.16233%0.327CS..Hα-helixtrans-64.2-28172.2-92.2-65.8000113.8I104 A107 L108 H111 M324 F325 Q330I104-F328 HydrophobicContact CG2-CE2 4.5Å; A107-F328 HydrophobicContact CB-CE1 4.2Å; A107-F328 HydrophobicContact CB-CZ 4.06Å; L108-F328 VanDerWaalsContact CA-CZ 3.46Å; L108-F328 HydrophobicContact CB-CE1 4.15Å; L108-F328 HydrophobicContact CB-CE2 3.83Å; L108-F328 HydrophobicContact CB-CZ 3.49Å; L108-F328 VanDerWaalsContact CB-CZ 3.49Å; L108-F328 HydrophobicContact CD1-CD1 4.13Å; L108-F328 HydrophobicContact CD1-CD2 3.82Å; L108-F328 HydrophobicContact CD1-CE1 4.05Å; L108-F328 HydrophobicContact CD1-CE2 3.74Å; L108-F328 HydrophobicContact CD1-CG 4.02Å; L108-F328 HydrophobicContact CD1-CZ 3.88Å; L108-F328 HydrophobicContact CD2-CE2 4.13Å; L108-F328 HydrophobicContact CG-CE2 4.12Å; L108-F328 HydrophobicContact CG-CZ 4.18Å; H111-F328 HydrophobicContact CB-CD1 4.27Å; H111-F328 HydrophobicContact CB-CE1 4.28Å; H111-F328 PolarHBondContact NE2-O 3.48Å; M324-F328 HydrophobicContact CE-CE2 4.49Å; M324-F328 HydrophobicContact CG-CD2 4.28Å; M324-F328 HydrophobicContact CG-CE2 4.34Å; M324-F328 WeakPolarHBondContact O-CD2 3.46Å; M324-F328 PolarHBondContact O-N 3.43Å; M324-F328 HydrophobicContact SD-CE2 4.46Å; F325-F328 PolarHBondContact O-N 3.47Å; F328-Q330 VanDerWaalsContact C-N 3.31Å
329G88.4Confident88.7Confident56 Ų5659.6 Ų59.658%0.57735%0.345SS*.THydrogen-bonded Turntrans-82.1-7.7-179.600000113.7F325 E326 L327 P331F325-G329 PolarHBondContact O-N 2.93Å; E326-G329 PolarHBondContact O-N 2.81Å; L327-G329 PolarHBondContact O-N 2.89Å; G329-P331 WeakPolarHBondContact O-CD 3.31Å
330Q90.5Very high88.9Confident48 Ų4856 Ų5622%0.22433%0.329CS..PPolyproline II helixtrans-65.3122.6178.3-65-58.3-55.600109.9H111 L115 E326 L327 F328H111-Q330 PolarHBondContact CE1-O 2.87Å; H111-Q330 VanDerWaalsContact CE1-O 3.27Å; H111-Q330 PolarHBondContact NE2-O 3.19Å; L115-Q330 HydrophobicContact CD1-CB 4.28Å; L115-Q330 HydrophobicContact CD2-CB 3.79Å; L115-Q330 WeakPolarHBondContact CD2-O 3.37Å; E326-Q330 WeakPolarHBondContact O-CG 3.44Å; E326-Q330 PolarHBondContact O-N 3.47Å; E326-Q330 PolarHBondContact O-NE2 2.96Å; E326-Q330 VanDerWaalsContact O-NE2 3.14Å; L327-Q330 PolarHBondContact O-N 3.49Å; F328-Q330 VanDerWaalsContact C-N 3.31Å
331P85.9Confident89Confident85 Ų8559.2 Ų59.255%0.55235%0.351SS*.PPolyproline II helixtrans-69.3143.317529.5-33.2000110G329G329-P331 WeakPolarHBondContact O-CD 3.31Å
332S83.6Confident89.2Confident19 Ų1962.1 Ų62.113%0.13338%0.376CS..PPolyproline II helixtrans-77.9127.2163.4-178.10000109.2S114 V334 K335S114-S332 VanDerWaalsContact O-CB 3.28Å; S114-S332 WeakPolarHBondContact O-CB 3.45Å; S114-S332 PolarHBondContact O-OG 2.64Å; S332-V334 VanDerWaalsContact C-N 3.28Å; S332-V334 PolarHBondContact O-N 3.42Å; S332-V334 PolarHBondContact OG-O 2.93Å; S332-K335 WeakPolarHBondContact O-CE 3.38Å
333D81.9Confident89.3Confident95 Ų9559.4 Ų59.451%0.50836%0.361SS..SBendtrans-65.9-31.8179.1-61.8-28.3000112S116S116-D333 WeakPolarHBondContact CB-OD2 3.48Å; S116-D333 PolarHBondContact OG-OD2 3.49Å
334V85.7Confident89.4Confident9 Ų961.2 Ų61.26%0.05537%0.374CS..SBendtrans-119.6104-176.2-177.70000109S332 R398 Q419S332-V334 VanDerWaalsContact C-N 3.28Å; S332-V334 PolarHBondContact O-N 3.42Å; S332-V334 PolarHBondContact OG-O 2.93Å; V334-R398 HydrophobicContact CG1-CG 3.95Å; V334-Q419 PolarHBondContact O-NE2 3.2Å; V334-Q419 VanDerWaalsContact O-NE2 3.13Å
335K87.8Confident89.3Confident132 Ų13262.1 Ų62.157%0.57438%0.379SS*.  trans-112.4146.6178.5-66.4-178.8-177.3177.20111S332 R398S332-K335 WeakPolarHBondContact O-CE 3.38Å; K335-R398 PolarHBondContact O-NH2 3.23Å
336D91.2Very high89.2Confident56 Ų5671.5 Ų71.530%0.29941%0.413SS..PPolyproline II helixtrans-67.4140.8165.9-66.6-1.9000108A340 R398 T418 Q419D336-A340 HydrophobicContact CB-CB 4.32Å; D336-R398 IonicContact OD1-NH1 3.16Å; D336-T418 VanDerWaalsContact OD2-CA 3.24Å; D336-T418 WeakPolarHBondContact OD2-CA 3.09Å; D336-T418 WeakPolarHBondContact OD2-CB 3.5Å; D336-Q419 WeakPolarHBondContact OD1-CB 3.35Å; D336-Q419 WeakPolarHBondContact OD1-CG 3.32Å; D336-Q419 PolarHBondContact OD1-N 2.76Å; D336-Q419 VanDerWaalsContact OD1-N 3.08Å; D336-Q419 PolarHBondContact OD1-NE2 3.33Å; D336-Q419 PolarHBondContact OD2-N 3.44Å; D336-Q419 VanDerWaalsContact OD2-N 3.12Å
337V90.3Very high89.1Confident77 Ų7773.8 Ų73.847%0.46742%0.422SS..PPolyproline II helixtrans-63.8144171.7-177.50000108.3G339 A340 L416V337-G339 PolarHBondContact O-N 3.48Å; V337-G339 VanDerWaalsContact O-N 3.12Å; V337-A340 HydrophobicContact CB-CB 4.5Å; V337-A340 VanDerWaalsContact O-CB 3.22Å; V337-A340 WeakPolarHBondContact O-CB 3.22Å; V337-A340 PolarHBondContact O-N 2.98Å; V337-L416 HydrophobicContact CG2-CD2 4.18Å
338D88.4Confident89.1Confident165 Ų16573.2 Ų73.288%0.88242%0.419SS*.THydrogen-bonded Turntrans-55.8120.9177.7-70.7-26.2000110.3
339G89.7Confident89.5Confident81 Ų8173.4 Ų73.484%0.83542%0.42SS*.THydrogen-bonded Turntrans76.617.7-176.400000115.4V337V337-G339 PolarHBondContact O-N 3.48Å; V337-G339 VanDerWaalsContact O-N 3.12Å
340A91.7Very high89.9Confident18 Ų1870.8 Ų70.815%0.14939%0.392CS..PPolyproline II helixtrans-51.8130177.100000111.8D336 V337 L416 T418D336-A340 HydrophobicContact CB-CB 4.32Å; V337-A340 HydrophobicContact CB-CB 4.5Å; V337-A340 VanDerWaalsContact O-CB 3.22Å; V337-A340 WeakPolarHBondContact O-CB 3.22Å; V337-A340 PolarHBondContact O-N 2.98Å; A340-L416 WeakPolarHBondContact CB-O 3.28Å; A340-T418 HydrophobicContact CB-CG2 4.01Å; A340-T418 WeakPolarHBondContact O-CG2 3.31Å
341P93.5Very high90.2Very high84 Ų8469.9 Ų69.955%0.54539%0.388SS..PPolyproline II helixtrans-71.4159.6176.428.8-35.6000112L416 V417 T418P341-L416 WeakPolarHBondContact CD-O 3.25Å; P341-V417 WeakPolarHBondContact O-CA 3.5Å; P341-T418 PolarHBondContact O-N 2.88Å
342A93.6Very high90.7Very high67 Ų6766 Ų6655%0.55436%0.363SS*.PPolyproline II helixtrans-70.4136.9164.800000109.9S421A342-S421 WeakPolarHBondContact CA-OG 3.36Å
343I92.6Very high91.3Very high8 Ų869.3 Ų69.34%0.04137%0.372CS..PPolyproline II helixtrans-69.8137.9175.3-163.4170.7000110.4I345 I409 V417 S421 L422I343-I345 HydrophobicContact CD1-CD1 4.36Å; I343-I345 HydrophobicContact CD1-CG1 4.08Å; I343-I345 HydrophobicContact CG1-CG1 4.05Å; I343-I345 HydrophobicContact CG2-CD1 4.47Å; I343-I345 HydrophobicContact CG2-CG1 4.3Å; I343-I409 HydrophobicContact CD1-CB 3.95Å; I343-I409 HydrophobicContact CD1-CG2 4.18Å; I343-V417 HydrophobicContact CB-CB 4.11Å; I343-V417 HydrophobicContact CB-CG1 4.03Å; I343-V417 HydrophobicContact CB-CG2 4.16Å; I343-V417 HydrophobicContact CD1-CG2 4.39Å; I343-V417 HydrophobicContact CG1-CG1 4.28Å; I343-S421 PolarHBondContact N-OG 3.23Å; I343-L422 HydrophobicContact CD1-CD1 4.41Å
344V91.4Very high92Very high101 Ų10169.4 Ų69.461%0.61237%0.373SS*.  trans-114.7105.2173.5-179.90000107.9R346V344-R346 HydrophobicContact CG1-CG 4.38Å
345I89.7Confident92.5Very high20 Ų2069 Ų6910%0.10337%0.37CS..  trans-94.5122.7179.1-56.6-180000108.4I343 I409 D410 H425 I507I343-I345 HydrophobicContact CD1-CD1 4.36Å; I343-I345 HydrophobicContact CD1-CG1 4.08Å; I343-I345 HydrophobicContact CG1-CG1 4.05Å; I343-I345 HydrophobicContact CG2-CD1 4.47Å; I343-I345 HydrophobicContact CG2-CG1 4.3Å; I345-I409 HydrophobicContact CD1-CG2 3.71Å; I345-I409 HydrophobicContact CG1-CG2 3.87Å; I345-I409 HydrophobicContact CG2-CG2 4.33Å; I345-D410 WeakPolarHBondContact CG2-OD2 3.2Å; I345-H425 HydrophobicContact CD1-CB 3.41Å; I345-H425 VanDerWaalsContact CD1-CB 3.41Å; I345-H425 HydrophobicContact CG1-CB 4.5Å; I345-I507 HydrophobicContact CD1-CD1 4.3Å
346R87.9Confident92.8Very high221 Ų22163.4 Ų63.483%0.83435%0.348SS*.SBendtrans-107.7-43.1-180-64.2-176.1-179.6-174.90.6112V344 D410V344-R346 HydrophobicContact CG1-CG 4.38Å; R346-D410 PolarHBondContact N-OD2 3.39Å
347K89Confident92.9Very high158 Ų15861.1 Ų61.169%0.68734%0.335SS*.SBendtrans-114.3-31.5-175-57-177.5178.9178.40111.8P375 D410K347-P375 HydrophobicContact CB-CB 4.07Å; K347-P375 HydrophobicContact CB-CG 3.57Å; K347-P375 HydrophobicContact CD-CG 4.43Å; K347-P375 VanDerWaalsContact O-CB 3.3Å; K347-P375 WeakPolarHBondContact O-CB 3.22Å; K347-D410 PolarHBondContact N-OD2 2.99Å
348G91.1Very high92.9Very high0 Ų058.1 Ų58.10%032%0.319CS..  trans81.127.9-178.200000113.8V350 D410 S537G348-V350 PolarHBondContact O-N 3.22Å; G348-D410 PolarHBondContact N-OD1 3.26Å; G348-D410 PolarHBondContact N-OD2 3.34Å; G348-D410 VanDerWaalsContact N-OD2 3.07Å; G348-S537 WeakPolarHBondContact O-CB 3.47Å; G348-S537 PolarHBondContact O-OG 3.13Å
349K95.8Very high92.9Very high42 Ų4253.1 Ų53.118%0.18329%0.289CS..  trans-67129.4170.6179.7-169.6164.4-151.10108.7E351 V372 I373 P375 I409 D410 D411K349-E351 WeakPolarHBondContact CE-OE2 3.42Å; K349-E351 IonicContact NZ-OE2 3.92Å; K349-E351 PolarHBondContact NZ-OE2 3.07Å; K349-V372 HydrophobicContact CD-CG1 4.47Å; K349-V372 HydrophobicContact CG-CG1 4.09Å; K349-I373 WeakPolarHBondContact CA-O 3.49Å; K349-P375 HydrophobicContact CB-CG 4.15Å; K349-I409 CarbonylContact O-C 3.52Å; K349-I409 VanDerWaalsContact O-CA 3.24Å; K349-I409 WeakPolarHBondContact O-CA 3.33Å; K349-D410 PolarHBondContact N-OD1 3.28Å; K349-D410 PolarHBondContact O-N 2.84Å; K349-D411 IonicContact NZ-OD1 2.72Å; K349-D411 PolarHBondContact NZ-OD1 3.17Å
350V96.5Very high92.7Very high0 Ų052.5 Ų52.50%027%0.268CS..EExtended strand (participates in β ladder)trans-115.2133175.1-175.50000109.1G348 F352 V372 I373 L396 F408 I409 I507G348-V350 PolarHBondContact O-N 3.22Å; V350-F352 HydrophobicContact CG1-CD2 4.19Å; V350-F352 HydrophobicContact CG1-CE2 3.86Å; V350-V372 CarbonylContact O-C 3.5Å; V350-V372 WeakPolarHBondContact O-CA 3.38Å; V350-I373 HydrophobicContact CB-CB 4.06Å; V350-I373 HydrophobicContact CB-CD1 4.01Å; V350-I373 HydrophobicContact CB-CG1 4.2Å; V350-I373 HydrophobicContact CG1-CD1 4.37Å; V350-I373 HydrophobicContact CG2-CD1 4.42Å; V350-I373 PolarHBondContact N-O 2.99Å; V350-I373 PolarHBondContact O-N 3.32Å; V350-L396 HydrophobicContact CG1-CD1 3.66Å; V350-L396 HydrophobicContact CG1-CD2 4.41Å; V350-F408 CarbonylContact C-O 3.37Å; V350-F408 WeakPolarHBondContact CA-O 3.4Å; V350-I409 HydrophobicContact CG2-CG1 4.37Å; V350-I507 HydrophobicContact CG2-CD1 3.6Å; V350-I507 HydrophobicContact CG2-CG1 4.03Å; V350-I507 HydrophobicContact CG2-CG2 4.34Å
351E97Very high92.1Very high30 Ų3057 Ų5714%0.1430%0.296CS..EExtended strand (participates in β ladder)trans-136.7120.6-176.2170.9168.6-169.900111K349 R353 V372 I407 F408K349-E351 WeakPolarHBondContact CE-OE2 3.42Å; K349-E351 IonicContact NZ-OE2 3.92Å; K349-E351 PolarHBondContact NZ-OE2 3.07Å; E351-R353 HydrophobicContact CG-CG 3.8Å; E351-R353 IonicContact OE1-CZ 2.69Å; E351-R353 IonicContact OE1-NE 2.71Å; E351-R353 PolarHBondContact OE1-NE 3.26Å; E351-R353 IonicContact OE1-NH2 3.78Å; E351-R353 PolarHBondContact OE1-NH2 3.32Å; E351-R353 VanDerWaalsContact OE1-NH2 3.16Å; E351-R353 IonicContact OE2-CZ 3.74Å; E351-R353 IonicContact OE2-NE 3.69Å; E351-R353 IonicContact OE2-NH2 3.94Å; E351-R353 PolarHBondContact OE2-NH2 3.02Å; E351-V372 HydrophobicContact CB-CG1 4.48Å; E351-V372 HydrophobicContact CB-CG2 4.18Å; E351-V372 HydrophobicContact CG-CG2 3.88Å; E351-I407 CarbonylContact O-C 3.56Å; E351-I407 WeakPolarHBondContact O-CA 3.45Å; E351-F408 HydrophobicContact CB-CB 4.3Å; E351-F408 PolarHBondContact N-O 3.1Å; E351-F408 PolarHBondContact O-N 3.47Å
352F97Very high91.6Very high3 Ų360.4 Ų60.41%0.01331%0.31CS..EExtended strand (participates in β ladder)trans-96.3123.7170.8-76.2-115.2000107.8V350 V355 S370 F371 L392 L396 I407V350-F352 HydrophobicContact CG1-CD2 4.19Å; V350-F352 HydrophobicContact CG1-CE2 3.86Å; F352-V355 HydrophobicContact CB-CG2 4.09Å; F352-V355 HydrophobicContact CD1-CB 4.24Å; F352-V355 HydrophobicContact CD1-CG1 4.43Å; F352-V355 HydrophobicContact CD1-CG2 3.82Å; F352-V355 HydrophobicContact CG-CG2 4.36Å; F352-S370 VanDerWaalsContact O-CA 3.25Å; F352-S370 WeakPolarHBondContact O-CA 3.1Å; F352-F371 HydrophobicContact CB-CD1 3.9Å; F352-F371 HydrophobicContact CB-CE1 3.81Å; F352-F371 HydrophobicContact CB-CG 4.46Å; F352-F371 HydrophobicContact CB-CZ 4.29Å; F352-F371 AromaticContact CD1-CE1 3.91Å; F352-F371 HydrophobicContact CD1-CE1 3.91Å; F352-F371 HydrophobicContact CD1-CZ 4.14Å; F352-F371 HydrophobicContact CD2-CD1 4.43Å; F352-F371 HydrophobicContact CD2-CD2 4.42Å; F352-F371 AromaticContact CD2-CE1 3.73Å; F352-F371 HydrophobicContact CD2-CE1 3.73Å; F352-F371 AromaticContact CD2-CE2 3.71Å; F352-F371 HydrophobicContact CD2-CE2 3.71Å; F352-F371 AromaticContact CD2-CZ 3.32Å; F352-F371 HydrophobicContact CD2-CZ 3.32Å; F352-F371 HydrophobicContact CE1-CE1 4.43Å; F352-F371 HydrophobicContact CE1-CZ 4.34Å; F352-F371 HydrophobicContact CE2-CE1 4.27Å; F352-F371 HydrophobicContact CE2-CE2 4.04Å; F352-F371 AromaticContact CE2-CZ 3.55Å; F352-F371 HydrophobicContact CE2-CZ 3.55Å; F352-F371 HydrophobicContact CG-CD1 4.15Å; F352-F371 AromaticContact CG-CE1 3.54Å; F352-F371 HydrophobicContact CG-CE1 3.54Å; F352-F371 HydrophobicContact CG-CE2 4.36Å; F352-F371 AromaticContact CG-CZ 3.67Å; F352-F371 HydrophobicContact CG-CZ 3.67Å; F352-F371 HydrophobicContact CZ-CZ 4.07Å; F352-F371 PolarHBondContact N-O 3.03Å; F352-F371 PolarHBondContact O-N 2.92Å; F352-F371 VanDerWaalsContact O-N 3.08Å; F352-L392 HydrophobicContact CD1-CD2 4.14Å; F352-L392 HydrophobicContact CE1-CD2 3.8Å; F352-L396 HydrophobicContact CE2-CD1 4.37Å; F352-L396 HydrophobicContact CZ-CB 4.21Å; F352-I407 HydrophobicContact CD1-CD1 3.9Å; F352-I407 HydrophobicContact CD1-CG1 3.8Å; F352-I407 HydrophobicContact CD2-CG2 4.31Å; F352-I407 HydrophobicContact CE1-CD1 3.44Å; F352-I407 VanDerWaalsContact CE1-CD1 3.44Å; F352-I407 HydrophobicContact CE1-CG1 3.85Å; F352-I407 HydrophobicContact CE2-CG2 4.11Å; F352-I407 HydrophobicContact CG-CG1 4.2Å; F352-I407 HydrophobicContact CZ-CD1 3.88Å; F352-I407 HydrophobicContact CZ-CG1 4.3Å; F352-I407 HydrophobicContact CZ-CG2 4.28Å
353R96.3Very high91.4Very high88 Ų8864 Ų6433%0.33231%0.313SS..EExtended strand (participates in β ladder)trans-118.4109.7177.5-59-168.5-175.2144.16.1110.7E351 V355 G405 S406 F408E351-R353 HydrophobicContact CG-CG 3.8Å; E351-R353 IonicContact OE1-CZ 2.69Å; E351-R353 IonicContact OE1-NE 2.71Å; E351-R353 PolarHBondContact OE1-NE 3.26Å; E351-R353 IonicContact OE1-NH2 3.78Å; E351-R353 PolarHBondContact OE1-NH2 3.32Å; E351-R353 VanDerWaalsContact OE1-NH2 3.16Å; E351-R353 IonicContact OE2-CZ 3.74Å; E351-R353 IonicContact OE2-NE 3.69Å; E351-R353 IonicContact OE2-NH2 3.94Å; E351-R353 PolarHBondContact OE2-NH2 3.02Å; R353-V355 PolarHBondContact O-N 2.81Å; R353-V355 VanDerWaalsContact O-N 3.17Å; R353-G405 CarbonylContact O-C 3.57Å; R353-G405 WeakPolarHBondContact O-CA 3.2Å; R353-S406 PolarHBondContact N-O 3.21Å; R353-S406 PolarHBondContact O-N 3.25Å; R353-F408 HydrophobicContact CB-CE2 4.38Å; R353-F408 HydrophobicContact CG-CD2 4.08Å; R353-F408 HydrophobicContact CG-CE2 3.95Å
354D95.5Very high91.2Very high97 Ų9768.1 Ų68.152%0.51933%0.334SS..EExtended strand (participates in β ladder)trans49.341.9173.6-54.6-46.2000113.1S356 S370 G405D354-S356 PolarHBondContact O-N 2.73Å; D354-S370 WeakPolarHBondContact CA-OG 3.35Å; D354-S370 PolarHBondContact N-OG 3.21Å; D354-S370 PolarHBondContact OD1-OG 3.48Å; D354-G405 WeakPolarHBondContact O-CA 3.35Å
355V95.7Very high91.3Very high0 Ų064.9 Ų64.90%031%0.313CS..EExtended strand (participates in β ladder)trans-72.4118.7-172.3173.70000110F352 R353 N368 V369 L395 C402 S404 I407F352-V355 HydrophobicContact CB-CG2 4.09Å; F352-V355 HydrophobicContact CD1-CB 4.24Å; F352-V355 HydrophobicContact CD1-CG1 4.43Å; F352-V355 HydrophobicContact CD1-CG2 3.82Å; F352-V355 HydrophobicContact CG-CG2 4.36Å; R353-V355 PolarHBondContact O-N 2.81Å; R353-V355 VanDerWaalsContact O-N 3.17Å; V355-N368 PolarHBondContact O-N 3.34Å; V355-V369 PolarHBondContact N-O 3.02Å; V355-V369 PolarHBondContact O-N 2.66Å; V355-L395 HydrophobicContact CG1-CD1 3.9Å; V355-C402 HydrophobicContact CG1-CB 4.35Å; V355-S404 WeakPolarHBondContact CA-O 3.42Å; V355-I407 HydrophobicContact CG2-CG1 3.86Å
356S94.1Very high91.5Very high15 Ų1564 Ų6411%0.10531%0.308CS..EExtended strand (participates in β ladder)trans-119.7138.9166.8-56.50000110.8D354 L366 N368 T403 S404D354-S356 PolarHBondContact O-N 2.73Å; S356-L366 CarbonylContact C-O 3.55Å; S356-L366 WeakPolarHBondContact CA-O 3.28Å; S356-L366 WeakPolarHBondContact CB-O 3.35Å; S356-N368 PolarHBondContact OG-N 2.98Å; S356-N368 PolarHBondContact OG-OD1 3.35Å; S356-N368 VanDerWaalsContact OG-OD1 3.08Å; S356-T403 WeakPolarHBondContact O-CB 3.18Å; S356-T403 PolarHBondContact O-N 3.28Å; S356-S404 VanDerWaalsContact CB-OG 3.27Å; S356-S404 WeakPolarHBondContact CB-OG 3.35Å; S356-S404 PolarHBondContact N-O 3.09Å; S356-S404 PolarHBondContact O-N 3.3Å; S356-S404 PolarHBondContact OG-OG 3.39Å
357F94.1Very high91.8Very high9 Ų956.7 Ų56.74%0.03928%0.284CS..EExtended strand (participates in β ladder)trans-154.9142.8-177176.1-96.4000112.4Y359 I365 L366 T391 L395 Y400 D401F357-Y359 AromaticContact CE1-CD1 3.81Å; F357-Y359 HydrophobicContact CE1-CD1 3.81Å; F357-Y359 HydrophobicContact CE1-CD2 4.38Å; F357-Y359 AromaticContact CE1-CE1 3.77Å; F357-Y359 HydrophobicContact CE1-CE1 3.77Å; F357-Y359 HydrophobicContact CE1-CE2 4.34Å; F357-Y359 HydrophobicContact CE1-CG 4.1Å; F357-Y359 AromaticContact CZ-CD1 3.95Å; F357-Y359 HydrophobicContact CZ-CD1 3.95Å; F357-Y359 HydrophobicContact CZ-CE1 4.13Å; F357-Y359 HydrophobicContact CZ-CG 4.48Å; F357-I365 WeakPolarHBondContact O-CA 3.17Å; F357-I365 PolarHBondContact O-N 3.29Å; F357-L366 PolarHBondContact N-O 3.39Å; F357-L366 PolarHBondContact O-N 3.31Å; F357-T391 HydrophobicContact CD1-CG2 3.39Å; F357-T391 HydrophobicContact CE1-CG2 3.77Å; F357-T391 HydrophobicContact CG-CG2 4.41Å; F357-L395 HydrophobicContact CB-CD1 3.95Å; F357-L395 HydrophobicContact CB-CD2 4.43Å; F357-L395 HydrophobicContact CD2-CD2 3.91Å; F357-L395 HydrophobicContact CE2-CD2 4.33Å; F357-L395 HydrophobicContact CG-CD1 4.18Å; F357-L395 HydrophobicContact CG-CD2 4Å; F357-Y400 HydrophobicContact CE1-CG 4.45Å; F357-Y400 HydrophobicContact CE2-CD1 4.03Å; F357-Y400 AromaticContact CE2-CG 3.98Å; F357-Y400 HydrophobicContact CE2-CG 3.98Å; F357-Y400 AromaticContact CZ-CD1 3.56Å; F357-Y400 HydrophobicContact CZ-CD1 3.56Å; F357-Y400 HydrophobicContact CZ-CD2 4.24Å; F357-Y400 HydrophobicContact CZ-CE1 4.23Å; F357-Y400 AromaticContact CZ-CG 3.55Å; F357-Y400 HydrophobicContact CZ-CG 3.55Å; F357-D401 WeakPolarHBondContact CD2-O 3.45Å; F357-D401 WeakPolarHBondContact CE2-O 3.28Å
358G90.1Very high92Very high13 Ų1354.3 Ų54.313%0.13428%0.279CS..  trans-139.2144.6168.900000111.7V360 K363G358-V360 PolarHBondContact O-N 3.28Å; G358-K363 WeakPolarHBondContact CA-O 3.43Å
359Y87.7Confident92.2Very high61 Ų6154.4 Ų54.424%0.23928%0.279CS..SBendtrans-69-26.8175.7-67.6-71.6000112.9R118 F357 I365 T391 R394 Y400R118-Y359 PolarHBondContact NH1-O 3.07Å; F357-Y359 AromaticContact CE1-CD1 3.81Å; F357-Y359 HydrophobicContact CE1-CD1 3.81Å; F357-Y359 HydrophobicContact CE1-CD2 4.38Å; F357-Y359 AromaticContact CE1-CE1 3.77Å; F357-Y359 HydrophobicContact CE1-CE1 3.77Å; F357-Y359 HydrophobicContact CE1-CE2 4.34Å; F357-Y359 HydrophobicContact CE1-CG 4.1Å; F357-Y359 AromaticContact CZ-CD1 3.95Å; F357-Y359 HydrophobicContact CZ-CD1 3.95Å; F357-Y359 HydrophobicContact CZ-CE1 4.13Å; F357-Y359 HydrophobicContact CZ-CG 4.48Å; Y359-I365 HydrophobicContact CD2-CG1 3.9Å; Y359-I365 HydrophobicContact CE2-CG1 4.21Å; Y359-T391 PolarHBondContact OH-OG1 3.46Å; Y359-T391 VanDerWaalsContact OH-OG1 3.07Å; Y359-R394 WeakPolarHBondContact OH-CD 3.37Å; Y359-R394 PolarHBondContact OH-NH1 3.43Å; Y359-Y400 AromaticContact CD1-CE1 3.89Å; Y359-Y400 HydrophobicContact CD1-CE1 3.89Å; Y359-Y400 HydrophobicContact CD1-CE2 4.28Å; Y359-Y400 AromaticContact CD1-CZ 3.72Å; Y359-Y400 HydrophobicContact CE1-CD2 4.24Å; Y359-Y400 HydrophobicContact CE1-CE1 4.08Å; Y359-Y400 AromaticContact CE1-CE2 3.62Å; Y359-Y400 HydrophobicContact CE1-CE2 3.62Å; Y359-Y400 AromaticContact CE1-CZ 3.51Å
360V85.8Confident92.2Very high67 Ų6754.9 Ų54.941%0.40629%0.288SS..BIsolated β-bridgetrans-128.7140.7175.2-1780000106.1G358 D362 K363G358-V360 PolarHBondContact O-N 3.28Å; V360-D362 PolarHBondContact O-N 2.85Å; V360-D362 VanDerWaalsContact O-N 3.09Å; V360-K363 PolarHBondContact O-N 2.74Å
361P79.6Confident92.2Very high113 Ų11355.4 Ų55.473%0.73429%0.29SS*.THydrogen-bonded Turntrans-50-37.1-178-30.136.1000114.1K363P361-K363 VanDerWaalsContact C-N 3.29Å; P361-K363 PolarHBondContact O-N 3.37Å
362D83.8Confident92.1Very high156 Ų15655.9 Ų55.983%0.83430%0.295SS*.THydrogen-bonded Turntrans-79.8-7-176-52.4-36.7000114.2V360V360-D362 PolarHBondContact O-N 2.85Å; V360-D362 VanDerWaalsContact O-N 3.09Å
363K88Confident92.1Very high142 Ų14255.7 Ų55.762%0.61729%0.294SS*.BIsolated β-bridgetrans-131.991.5-176-168.6175.6-177.6175.50111.5G358 V360 P361 I365G358-K363 WeakPolarHBondContact CA-O 3.43Å; V360-K363 PolarHBondContact O-N 2.74Å; P361-K363 VanDerWaalsContact C-N 3.29Å; P361-K363 PolarHBondContact O-N 3.37Å; K363-I365 HydrophobicContact CD-CD1 4.31Å; K363-I365 HydrophobicContact CG-CD1 4.11Å; K363-I365 PolarHBondContact O-N 2.93Å
364I89.5Confident92Very high94 Ų9456.2 Ų56.248%0.48230%0.3SS..  trans-75121.9174.4-54.7175.8000109.4L366 Q367I364-L366 WeakPolarHBondContact CG2-O 3.47Å; I364-Q367 HydrophobicContact CB-CG 4.37Å; I364-Q367 HydrophobicContact CG2-CG 3.54Å
365I93.2Very high92Very high34 Ų3454.3 Ų54.317%0.17429%0.293CS..SBendtrans-95.1-37.2-179.7-58.9-61000111.6F357 Y359 K363 G560F357-I365 WeakPolarHBondContact O-CA 3.17Å; F357-I365 PolarHBondContact O-N 3.29Å; Y359-I365 HydrophobicContact CD2-CG1 3.9Å; Y359-I365 HydrophobicContact CE2-CG1 4.21Å; K363-I365 HydrophobicContact CD-CD1 4.31Å; K363-I365 HydrophobicContact CG-CD1 4.11Å; K363-I365 PolarHBondContact O-N 2.93Å; I365-G560 WeakPolarHBondContact O-CA 3.24Å
366L94.6Very high91.8Very high0 Ų056 Ų560%031%0.31CS..EExtended strand (participates in β ladder)trans-119.7135.6175.8-62.8176.7000109.2S356 F357 I364 V369 T391 L392 L395 L557 G560S356-L366 CarbonylContact C-O 3.55Å; S356-L366 WeakPolarHBondContact CA-O 3.28Å; S356-L366 WeakPolarHBondContact CB-O 3.35Å; F357-L366 PolarHBondContact N-O 3.39Å; F357-L366 PolarHBondContact O-N 3.31Å; I364-L366 WeakPolarHBondContact CG2-O 3.47Å; L366-V369 HydrophobicContact CB-CG2 4.17Å; L366-V369 HydrophobicContact CD2-CG2 4.24Å; L366-T391 HydrophobicContact CD1-CG2 3.74Å; L366-T391 HydrophobicContact CG-CG2 4.15Å; L366-L392 HydrophobicContact CD1-CD2 3.63Å; L366-L392 HydrophobicContact CD1-CG 4.24Å; L366-L392 HydrophobicContact CD2-CD2 4.39Å; L366-L395 HydrophobicContact CD1-CD1 3.65Å; L366-L557 HydrophobicContact CD2-CD2 4Å; L366-G560 WeakPolarHBondContact CA-O 3.26Å
367Q93.4Very high91.8Very high68 Ų6856.8 Ų56.832%0.31831%0.313SS..EExtended strand (participates in β ladder)trans-130.2109.4-175.3-64.3-179.418.900110.1I364 V369 G560 K561I364-Q367 HydrophobicContact CB-CG 4.37Å; I364-Q367 HydrophobicContact CG2-CG 3.54Å; Q367-V369 VanDerWaalsContact C-N 3.31Å; Q367-V369 PolarHBondContact O-N 3.4Å; Q367-G560 PolarHBondContact N-O 3.47Å; Q367-K561 HydrophobicContact CB-CG 3.93Å
368N93.2Very high91.8Very high109 Ų10957.8 Ų57.858%0.58332%0.319SS*.EExtended strand (participates in β ladder)trans4848.9177-61.4-21000113.5V355 S356 S370V355-N368 PolarHBondContact O-N 3.34Å; S356-N368 PolarHBondContact OG-N 2.98Å; S356-N368 PolarHBondContact OG-OD1 3.35Å; S356-N368 VanDerWaalsContact OG-OD1 3.08Å; N368-S370 PolarHBondContact O-N 2.96Å
369V95Very high92Very high1 Ų157.2 Ų57.21%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-80.8118.6-179.8176.60000109.9V355 L366 Q367 F371 L392 G560 I562V355-V369 PolarHBondContact N-O 3.02Å; V355-V369 PolarHBondContact O-N 2.66Å; L366-V369 HydrophobicContact CB-CG2 4.17Å; L366-V369 HydrophobicContact CD2-CG2 4.24Å; Q367-V369 VanDerWaalsContact C-N 3.31Å; Q367-V369 PolarHBondContact O-N 3.4Å; V369-F371 HydrophobicContact CG1-CD1 3.82Å; V369-F371 HydrophobicContact CG1-CE1 3.82Å; V369-L392 HydrophobicContact CG1-CD2 4.17Å; V369-G560 VanDerWaalsContact CG2-O 3.23Å; V369-G560 WeakPolarHBondContact CG2-O 3.29Å; V369-I562 HydrophobicContact CG1-CD1 3.77Å; V369-I562 HydrophobicContact CG1-CG1 4.07Å
370S95.8Very high92.3Very high52 Ų5254.3 Ų54.336%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-129.8122.5-178.4-63.40000111.4F352 D354 N368F352-S370 VanDerWaalsContact O-CA 3.25Å; F352-S370 WeakPolarHBondContact O-CA 3.1Å; D354-S370 WeakPolarHBondContact CA-OG 3.35Å; D354-S370 PolarHBondContact N-OG 3.21Å; D354-S370 PolarHBondContact OD1-OG 3.48Å; N368-S370 PolarHBondContact O-N 2.96Å
371F95.9Very high92.7Very high11 Ų1151.1 Ų51.15%0.04828%0.282CS..EExtended strand (participates in β ladder)trans-162.3161.4174.265.2-86.3000111.6F352 V369 I373 L392 L539 L555 I562F352-F371 HydrophobicContact CB-CD1 3.9Å; F352-F371 HydrophobicContact CB-CE1 3.81Å; F352-F371 HydrophobicContact CB-CG 4.46Å; F352-F371 HydrophobicContact CB-CZ 4.29Å; F352-F371 AromaticContact CD1-CE1 3.91Å; F352-F371 HydrophobicContact CD1-CE1 3.91Å; F352-F371 HydrophobicContact CD1-CZ 4.14Å; F352-F371 HydrophobicContact CD2-CD1 4.43Å; F352-F371 HydrophobicContact CD2-CD2 4.42Å; F352-F371 AromaticContact CD2-CE1 3.73Å; F352-F371 HydrophobicContact CD2-CE1 3.73Å; F352-F371 AromaticContact CD2-CE2 3.71Å; F352-F371 HydrophobicContact CD2-CE2 3.71Å; F352-F371 AromaticContact CD2-CZ 3.32Å; F352-F371 HydrophobicContact CD2-CZ 3.32Å; F352-F371 HydrophobicContact CE1-CE1 4.43Å; F352-F371 HydrophobicContact CE1-CZ 4.34Å; F352-F371 HydrophobicContact CE2-CE1 4.27Å; F352-F371 HydrophobicContact CE2-CE2 4.04Å; F352-F371 AromaticContact CE2-CZ 3.55Å; F352-F371 HydrophobicContact CE2-CZ 3.55Å; F352-F371 HydrophobicContact CG-CD1 4.15Å; F352-F371 AromaticContact CG-CE1 3.54Å; F352-F371 HydrophobicContact CG-CE1 3.54Å; F352-F371 HydrophobicContact CG-CE2 4.36Å; F352-F371 AromaticContact CG-CZ 3.67Å; F352-F371 HydrophobicContact CG-CZ 3.67Å; F352-F371 HydrophobicContact CZ-CZ 4.07Å; F352-F371 PolarHBondContact N-O 3.03Å; F352-F371 PolarHBondContact O-N 2.92Å; F352-F371 VanDerWaalsContact O-N 3.08Å; V369-F371 HydrophobicContact CG1-CD1 3.82Å; V369-F371 HydrophobicContact CG1-CE1 3.82Å; F371-I373 HydrophobicContact CD2-CG1 4.24Å; F371-I373 HydrophobicContact CE2-CD1 4.22Å; F371-I373 HydrophobicContact CE2-CG1 4.03Å; F371-L392 HydrophobicContact CE1-CD1 4.35Å; F371-L392 HydrophobicContact CE1-CD2 4.2Å; F371-L392 HydrophobicContact CZ-CD1 4.48Å; F371-L539 HydrophobicContact CE2-CD1 4.44Å; F371-L555 HydrophobicContact CB-CD1 3.79Å; F371-L555 HydrophobicContact CD1-CD1 3.84Å; F371-L555 HydrophobicContact CD2-CD1 3.67Å; F371-L555 HydrophobicContact CE1-CD1 4.31Å; F371-L555 HydrophobicContact CE2-CD1 4.17Å; F371-L555 HydrophobicContact CG-CD1 3.49Å; F371-L555 VanDerWaalsContact CG-CD1 3.49Å; F371-L555 HydrophobicContact CZ-CD1 4.46Å; F371-I562 HydrophobicContact CB-CD1 4.24Å; F371-I562 HydrophobicContact CD1-CD1 3.9Å; F371-I562 HydrophobicContact CG-CD1 4.46Å
372V96.2Very high93.4Very high40 Ų4045.8 Ų45.824%0.24225%0.248CC..EExtended strand (participates in β ladder)trans-126.8130.9179-176.10000109.1K349 V350 E351 I379K349-V372 HydrophobicContact CD-CG1 4.47Å; K349-V372 HydrophobicContact CG-CG1 4.09Å; V350-V372 CarbonylContact O-C 3.5Å; V350-V372 WeakPolarHBondContact O-CA 3.38Å; E351-V372 HydrophobicContact CB-CG1 4.48Å; E351-V372 HydrophobicContact CB-CG2 4.18Å; E351-V372 HydrophobicContact CG-CG2 3.88Å; V372-I379 WeakPolarHBondContact O-CD1 3.1Å
373I96Very high93.7Very high0 Ų038.8 Ų38.80%021%0.213CC..EExtended strand (participates in β ladder)trans-97.2114.2166.2-50.2177.3000106.9K349 V350 F371 E377 I379 L539K349-I373 WeakPolarHBondContact CA-O 3.49Å; V350-I373 HydrophobicContact CB-CB 4.06Å; V350-I373 HydrophobicContact CB-CD1 4.01Å; V350-I373 HydrophobicContact CB-CG1 4.2Å; V350-I373 HydrophobicContact CG1-CD1 4.37Å; V350-I373 HydrophobicContact CG2-CD1 4.42Å; V350-I373 PolarHBondContact N-O 2.99Å; V350-I373 PolarHBondContact O-N 3.32Å; F371-I373 HydrophobicContact CD2-CG1 4.24Å; F371-I373 HydrophobicContact CE2-CD1 4.22Å; F371-I373 HydrophobicContact CE2-CG1 4.03Å; I373-E377 HydrophobicContact CG2-CB 4.23Å; I373-E377 WeakPolarHBondContact CG2-O 3.33Å; I373-I379 HydrophobicContact CB-CD1 4.18Å; I373-I379 HydrophobicContact CB-CG1 4.32Å; I373-I379 HydrophobicContact CG1-CB 4.14Å; I373-I379 HydrophobicContact CG1-CD1 3.76Å; I373-I379 HydrophobicContact CG1-CG1 3.94Å; I373-I379 HydrophobicContact CG2-CG1 4.19Å; I373-L539 HydrophobicContact CD1-CB 4.05Å; I373-L539 HydrophobicContact CD1-CD1 4.17Å
374Q95.6Very high93.6Very high99 Ų9934.8 Ų34.846%0.46320%0.201SC..  trans-72.2156.9174.8-62.8-63-19.900111.2G376 E377 S537Q374-G376 PolarHBondContact O-N 3.38Å; Q374-E377 HydrophobicContact CB-CB 4.06Å; Q374-E377 VanDerWaalsContact CB-OE2 3.3Å; Q374-E377 WeakPolarHBondContact CB-OE2 3.43Å; Q374-E377 WeakPolarHBondContact CG-OE2 3.42Å; Q374-E377 PolarHBondContact N-OE2 3.28Å; Q374-E377 WeakPolarHBondContact O-CB 3.27Å; Q374-E377 PolarHBondContact O-N 3.34Å; Q374-S537 PolarHBondContact O-OG 3.44Å
375P93.8Very high93.3Very high57 Ų5735.5 Ų35.537%0.3722%0.215SC..THydrogen-bonded Turntrans-49.7122.3173.8-31.639.8000112.7K347 K349 E377 S537K347-P375 HydrophobicContact CB-CB 4.07Å; K347-P375 HydrophobicContact CB-CG 3.57Å; K347-P375 HydrophobicContact CD-CG 4.43Å; K347-P375 VanDerWaalsContact O-CB 3.3Å; K347-P375 WeakPolarHBondContact O-CB 3.22Å; K349-P375 HydrophobicContact CB-CG 4.15Å; P375-E377 PolarHBondContact O-N 2.96Å; P375-S537 WeakPolarHBondContact CA-OG 3.29Å
376G92Very high92.8Very high35 Ų3537.6 Ų37.636%0.36124%0.244SC..THydrogen-bonded Turntrans76.74.218000000114.9Q374 K536 S537Q374-G376 PolarHBondContact O-N 3.38Å; G376-K536 CarbonylContact C-O 3.59Å; G376-S537 PolarHBondContact N-OG 2.89Å
377E93.7Very high92.4Very high32 Ų3237.7 Ų37.715%0.1525%0.245CC..  trans-85.1139.5178.2-167.3-177.8-174.100111.1I373 Q374 P375 I379 S537 A538 N552I373-E377 HydrophobicContact CG2-CB 4.23Å; I373-E377 WeakPolarHBondContact CG2-O 3.33Å; Q374-E377 HydrophobicContact CB-CB 4.06Å; Q374-E377 VanDerWaalsContact CB-OE2 3.3Å; Q374-E377 WeakPolarHBondContact CB-OE2 3.43Å; Q374-E377 WeakPolarHBondContact CG-OE2 3.42Å; Q374-E377 PolarHBondContact N-OE2 3.28Å; Q374-E377 WeakPolarHBondContact O-CB 3.27Å; Q374-E377 PolarHBondContact O-N 3.34Å; P375-E377 PolarHBondContact O-N 2.96Å; E377-I379 HydrophobicContact CG-CG1 4.26Å; E377-S537 WeakPolarHBondContact O-CA 3.49Å; E377-A538 PolarHBondContact O-N 3.5Å; E377-N552 HydrophobicContact CG-CB 3.52Å
378T94.2Very high92.2Very high30 Ų3034.8 Ų34.818%0.18423%0.234CC..EExtended strand (participates in β ladder)trans-100112.2170-59.80000109.9A538 V540 A551 N552 K553T378-A538 WeakPolarHBondContact CA-O 3.34Å; T378-A538 HydrophobicContact CG2-CB 4.07Å; T378-V540 HydrophobicContact CG2-CG2 3.74Å; T378-A551 HydrophobicContact CG2-CB 4.43Å; T378-N552 PolarHBondContact N-OD1 3.02Å; T378-N552 PolarHBondContact O-N 3.24Å; T378-K553 PolarHBondContact O-N 3.04Å
379I94.9Very high92.1Very high0 Ų030.2 Ų30.20%021%0.208CC..EExtended strand (participates in β ladder)trans-102.6125.6172.5-62.8-156.4000109.9V372 I373 E377 A538 L539 V540 K553 L555V372-I379 WeakPolarHBondContact O-CD1 3.1Å; I373-I379 HydrophobicContact CB-CD1 4.18Å; I373-I379 HydrophobicContact CB-CG1 4.32Å; I373-I379 HydrophobicContact CG1-CB 4.14Å; I373-I379 HydrophobicContact CG1-CD1 3.76Å; I373-I379 HydrophobicContact CG1-CG1 3.94Å; I373-I379 HydrophobicContact CG2-CG1 4.19Å; E377-I379 HydrophobicContact CG-CG1 4.26Å; I379-A538 PolarHBondContact N-O 2.8Å; I379-L539 WeakPolarHBondContact O-CA 3.19Å; I379-V540 PolarHBondContact O-N 2.68Å; I379-K553 CarbonylContact C-O 3.51Å; I379-K553 VanDerWaalsContact CA-O 3.31Å; I379-K553 WeakPolarHBondContact CA-O 3.47Å; I379-K553 HydrophobicContact CD1-CB 4.34Å; I379-K553 HydrophobicContact CD1-CD 4.23Å; I379-K553 HydrophobicContact CG1-CB 4.25Å; I379-L555 HydrophobicContact CG2-CD1 3.66Å; I379-L555 HydrophobicContact CG2-CG 3.76Å
380A94.6Very high91.8Very high0 Ų031.8 Ų31.80%022%0.219CC..EExtended strand (participates in β ladder)trans-97.6142.4173.400000111.8V540 I548 A551 K553 I554 L555A380-V540 CarbonylContact C-O 3.58Å; A380-V540 WeakPolarHBondContact CA-O 3.47Å; A380-V540 HydrophobicContact CB-CB 4.47Å; A380-I548 HydrophobicContact CB-CB 3.59Å; A380-I548 HydrophobicContact CB-CD1 3.83Å; A380-I548 HydrophobicContact CB-CG1 4.36Å; A380-I548 HydrophobicContact CB-CG2 3.54Å; A380-A551 HydrophobicContact CB-CB 3.67Å; A380-K553 PolarHBondContact N-O 3.05Å; A380-I554 HydrophobicContact CB-CG1 4.22Å; A380-I554 CarbonylContact O-C 3.56Å; A380-I554 WeakPolarHBondContact O-CA 3.42Å; A380-L555 PolarHBondContact O-N 3.11Å
381V94.5Very high91.6Very high0 Ų029.6 Ų29.60%020%0.204CC..EExtended strand (participates in β ladder)trans-122121.2178.5-178.90000108.6K389 L392 L539 V540 V541 A542 L555 L557V381-K389 HydrophobicContact CG1-CB 4.13Å; V381-K389 HydrophobicContact CG1-CG 4.07Å; V381-L392 HydrophobicContact CG1-CD1 3.78Å; V381-L392 HydrophobicContact CG2-CD1 4.11Å; V381-L539 HydrophobicContact CG2-CD1 3.6Å; V381-V540 PolarHBondContact N-O 2.88Å; V381-V541 HydrophobicContact CB-CG2 4.32Å; V381-A542 PolarHBondContact O-N 3.48Å; V381-L555 WeakPolarHBondContact CA-O 3.49Å; V381-L555 HydrophobicContact CG2-CD1 4.5Å; V381-L557 HydrophobicContact CG1-CD1 3.6Å; V381-L557 HydrophobicContact CG1-CD2 4.33Å; V381-L557 HydrophobicContact CG1-CG 4.46Å
382V93.1Very high91.5Very high1 Ų129.1 Ų29.11%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-134165.4-177.5-62.80000111.8A542 L545 I548 I554 L555 V556 L557 Y578 M581V382-A542 HydrophobicContact CG1-CB 4.36Å; V382-L545 HydrophobicContact CB-CD2 3.97Å; V382-L545 HydrophobicContact CG1-CD2 3.7Å; V382-L545 HydrophobicContact CG2-CD2 4.19Å; V382-I548 HydrophobicContact CB-CD1 4.5Å; V382-I548 HydrophobicContact CG1-CD1 3.28Å; V382-I548 HydrophobicContact CG1-CG1 4.44Å; V382-I554 HydrophobicContact CG2-CG2 3.78Å; V382-L555 PolarHBondContact N-O 2.71Å; V382-V556 HydrophobicContact CG2-CB 4.44Å; V382-V556 HydrophobicContact CG2-CG1 4.5Å; V382-V556 HydrophobicContact CG2-CG2 3.97Å; V382-V556 CarbonylContact O-C 3.6Å; V382-V556 WeakPolarHBondContact O-CA 3.4Å; V382-L557 PolarHBondContact O-N 2.93Å; V382-Y578 HydrophobicContact CG2-CD2 4.06Å; V382-Y578 HydrophobicContact CG2-CE2 4.27Å; V382-M581 HydrophobicContact CG2-CE 4.2Å
383G89.9Confident91.4Very high10 Ų1027.4 Ų27.410%0.10319%0.192CC..  trans153170.6-179.900000112.1K389 L557G383-K389 PolarHBondContact O-NZ 2.73Å; G383-L557 WeakPolarHBondContact CA-O 3.33Å
384P85.9Confident91.2Very high57 Ų5730.8 Ų30.837%0.3720%0.204SC..SBendtrans-60164.5179.925.7-34.7000112.5G386 S387 K389 L557P384-G386 PolarHBondContact O-N 3.29Å; P384-S387 VanDerWaalsContact O-CB 3.32Å; P384-S387 WeakPolarHBondContact O-CB 3.36Å; P384-S387 PolarHBondContact O-N 2.82Å; P384-S387 PolarHBondContact O-OG 3.25Å; P384-S387 VanDerWaalsContact O-OG 3.05Å; P384-K389 PolarHBondContact O-NZ 3.45Å; P384-L557 WeakPolarHBondContact CD-O 3.3Å
385S83.7Confident91.2Very high110 Ų11026.1 Ų26.177%0.76918%0.183SC*.THydrogen-bonded Turntrans-56134.6172.6-61.70000110.7
386G82.9Confident91.2Very high77 Ų7723.4 Ų23.479%0.79417%0.165SC*.THydrogen-bonded Turntrans823.3-17800000115.9P384 G388P384-G386 PolarHBondContact O-N 3.29Å; G386-G388 PolarHBondContact O-N 3.41Å
387S86.5Confident91.3Very high3 Ų322.5 Ų22.52%0.02115%0.152CC..SBendtrans-70.9-6.1180680000115.8P384 K389 L557P384-S387 VanDerWaalsContact O-CB 3.32Å; P384-S387 WeakPolarHBondContact O-CB 3.36Å; P384-S387 PolarHBondContact O-N 2.82Å; P384-S387 PolarHBondContact O-OG 3.25Å; P384-S387 VanDerWaalsContact O-OG 3.05Å; S387-K389 VanDerWaalsContact OG-CG 3.31Å; S387-K389 WeakPolarHBondContact OG-CG 3.39Å; S387-L557 VanDerWaalsContact CB-O 3.29Å; S387-L557 WeakPolarHBondContact CB-O 3.4Å
388G88.6Confident91.3Very high7 Ų721.2 Ų21.27%0.07215%0.145CC..SBendtrans97.69.7178.200000116G386 S390 T391 L392G386-G388 PolarHBondContact O-N 3.41Å; G388-S390 PolarHBondContact O-N 3.18Å; G388-T391 WeakPolarHBondContact O-CA 3.41Å; G388-T391 WeakPolarHBondContact O-CB 3.22Å; G388-T391 PolarHBondContact O-N 2.9Å; G388-L392 PolarHBondContact O-N 2.96Å
389K90.7Very high91.2Very high12 Ų1222.5 Ų22.55%0.05215%0.149CC..Hα-helixtrans-55.2-54.2-176.4-48.2-177.9-70.3-78.70113.8V381 G383 P384 S387 T391 L392 V541V381-K389 HydrophobicContact CG1-CB 4.13Å; V381-K389 HydrophobicContact CG1-CG 4.07Å; G383-K389 PolarHBondContact O-NZ 2.73Å; P384-K389 PolarHBondContact O-NZ 3.45Å; S387-K389 VanDerWaalsContact OG-CG 3.31Å; S387-K389 WeakPolarHBondContact OG-CG 3.39Å; K389-T391 PolarHBondContact O-N 3.3Å; K389-T391 VanDerWaalsContact O-N 3.17Å; K389-L392 WeakPolarHBondContact O-CB 3.14Å; K389-L392 PolarHBondContact O-N 3.13Å; K389-L392 VanDerWaalsContact O-N 3.08Å; K389-V541 HydrophobicContact CB-CG1 3.53Å; K389-V541 HydrophobicContact CB-CG2 4.36Å; K389-V541 HydrophobicContact CD-CG1 4.19Å; K389-V541 HydrophobicContact CG-CG1 4.47Å
390S89.1Confident91.1Very high34 Ų3423.6 Ų23.624%0.23815%0.153CC..Hα-helixtrans-67.7-13.8178-41.60000113G388 T393 R394G388-S390 PolarHBondContact O-N 3.18Å; S390-T393 PolarHBondContact O-OG1 3.12Å; S390-R394 WeakPolarHBondContact O-CD 3.45Å; S390-R394 VanDerWaalsContact O-CG 3.23Å; S390-R394 WeakPolarHBondContact O-CG 3.41Å; S390-R394 PolarHBondContact O-N 3.37Å
391T92.3Very high91Very high7 Ų726.5 Ų26.54%0.04317%0.169CC..Hα-helixtrans-72.8-33.4173-55.60000110.9F357 Y359 L366 G388 K389 T393 R394 L395F357-T391 HydrophobicContact CD1-CG2 3.39Å; F357-T391 HydrophobicContact CE1-CG2 3.77Å; F357-T391 HydrophobicContact CG-CG2 4.41Å; Y359-T391 PolarHBondContact OH-OG1 3.46Å; Y359-T391 VanDerWaalsContact OH-OG1 3.07Å; L366-T391 HydrophobicContact CD1-CG2 3.74Å; L366-T391 HydrophobicContact CG-CG2 4.15Å; G388-T391 WeakPolarHBondContact O-CA 3.41Å; G388-T391 WeakPolarHBondContact O-CB 3.22Å; G388-T391 PolarHBondContact O-N 2.9Å; K389-T391 PolarHBondContact O-N 3.3Å; K389-T391 VanDerWaalsContact O-N 3.17Å; T391-T393 PolarHBondContact O-N 2.85Å; T391-R394 PolarHBondContact O-N 3Å; T391-L395 HydrophobicContact CG2-CD1 4.18Å; T391-L395 HydrophobicContact CG2-CG 4.41Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 2.83Å
392L93.6Very high90.8Very high0 Ų028.3 Ų28.30%018%0.181CC..Hα-helixtrans-62.4-42.9176-65174000112.1F352 L366 V369 F371 V381 G388 K389 L395 L396 L557F352-L392 HydrophobicContact CD1-CD2 4.14Å; F352-L392 HydrophobicContact CE1-CD2 3.8Å; L366-L392 HydrophobicContact CD1-CD2 3.63Å; L366-L392 HydrophobicContact CD1-CG 4.24Å; L366-L392 HydrophobicContact CD2-CD2 4.39Å; V369-L392 HydrophobicContact CG1-CD2 4.17Å; F371-L392 HydrophobicContact CE1-CD1 4.35Å; F371-L392 HydrophobicContact CE1-CD2 4.2Å; F371-L392 HydrophobicContact CZ-CD1 4.48Å; V381-L392 HydrophobicContact CG1-CD1 3.78Å; V381-L392 HydrophobicContact CG2-CD1 4.11Å; G388-L392 PolarHBondContact O-N 2.96Å; K389-L392 WeakPolarHBondContact O-CB 3.14Å; K389-L392 PolarHBondContact O-N 3.13Å; K389-L392 VanDerWaalsContact O-N 3.08Å; L392-L395 PolarHBondContact O-N 2.93Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 PolarHBondContact O-N 3.22Å; L392-L557 HydrophobicContact CD1-CD2 3.93Å
393T93.2Very high90.7Very high5 Ų533.4 Ų33.43%0.03121%0.212CC..Hα-helixtrans-64.1-42.9178.561.70000111.2S390 T391 L395 L396 L397 I509 L539 V541S390-T393 PolarHBondContact O-OG1 3.12Å; T391-T393 PolarHBondContact O-N 2.85Å; T393-L395 PolarHBondContact O-N 2.92Å; T393-L396 PolarHBondContact O-N 2.89Å; T393-L397 WeakPolarHBondContact O-CG 3.47Å; T393-L397 PolarHBondContact O-N 3.4Å; T393-L397 VanDerWaalsContact O-N 3.08Å; T393-I509 HydrophobicContact CG2-CG2 3.4Å; T393-I509 VanDerWaalsContact CG2-CG2 3.4Å; T393-L539 HydrophobicContact CG2-CD2 4.34Å; T393-V541 HydrophobicContact CG2-CG2 3.61Å
394R93.1Very high90.9Very high70 Ų7035.5 Ų35.526%0.26423%0.225SC..Hα-helixtrans-64.4-38177.2-68168.3-176.7158.83.4112.9Y359 S390 T391 R398 F399 Y400Y359-R394 WeakPolarHBondContact OH-CD 3.37Å; Y359-R394 PolarHBondContact OH-NH1 3.43Å; S390-R394 WeakPolarHBondContact O-CD 3.45Å; S390-R394 VanDerWaalsContact O-CG 3.23Å; S390-R394 WeakPolarHBondContact O-CG 3.41Å; S390-R394 PolarHBondContact O-N 3.37Å; T391-R394 PolarHBondContact O-N 3Å; R394-R398 PolarHBondContact O-N 3.38Å; R394-F399 HydrophobicContact CB-CB 4.48Å; R394-F399 HydrophobicContact CB-CD2 4.37Å; R394-F399 HydrophobicContact CG-CD2 4.26Å; R394-F399 PolarHBondContact O-N 2.98Å; R394-Y400 HydrophobicContact CB-CD2 4.23Å
395L94.7Very high91.3Very high1 Ų134.9 Ų34.91%0.00523%0.229CC..Hα-helixtrans-70.3-40.5175.6-72172000111.8V355 F357 L366 T391 L392 T393 L397 R398 Y400 I407V355-L395 HydrophobicContact CG1-CD1 3.9Å; F357-L395 HydrophobicContact CB-CD1 3.95Å; F357-L395 HydrophobicContact CB-CD2 4.43Å; F357-L395 HydrophobicContact CD2-CD2 3.91Å; F357-L395 HydrophobicContact CE2-CD2 4.33Å; F357-L395 HydrophobicContact CG-CD1 4.18Å; F357-L395 HydrophobicContact CG-CD2 4Å; L366-L395 HydrophobicContact CD1-CD1 3.65Å; T391-L395 HydrophobicContact CG2-CD1 4.18Å; T391-L395 HydrophobicContact CG2-CG 4.41Å; T391-L395 WeakPolarHBondContact O-CG 3.45Å; T391-L395 PolarHBondContact O-N 2.83Å; L392-L395 PolarHBondContact O-N 2.93Å; T393-L395 PolarHBondContact O-N 2.92Å; L395-L397 VanDerWaalsContact C-N 3.3Å; L395-L397 PolarHBondContact O-N 3.46Å; L395-R398 WeakPolarHBondContact O-CA 3.44Å; L395-R398 PolarHBondContact O-N 3.22Å; L395-Y400 WeakPolarHBondContact CD2-O 3.46Å; L395-I407 HydrophobicContact CB-CD1 3.72Å
396L94.7Very high91.8Very high0 Ų031 Ų310%020%0.202CC..Hα-helixtrans-63.7-35.1177-173.155.8000112.6V350 F352 L392 T393 R398 I407 I409 I426 I507 I509 L539V350-L396 HydrophobicContact CG1-CD1 3.66Å; V350-L396 HydrophobicContact CG1-CD2 4.41Å; F352-L396 HydrophobicContact CE2-CD1 4.37Å; F352-L396 HydrophobicContact CZ-CB 4.21Å; L392-L396 WeakPolarHBondContact O-CB 3.42Å; L392-L396 PolarHBondContact O-N 3.22Å; T393-L396 PolarHBondContact O-N 2.89Å; L396-R398 PolarHBondContact O-N 2.83Å; L396-I407 HydrophobicContact CD1-CG2 4.07Å; L396-I409 HydrophobicContact CD1-CD1 4.2Å; L396-I409 HydrophobicContact CD1-CG1 4.5Å; L396-I426 HydrophobicContact CG-CD1 4.34Å; L396-I507 HydrophobicContact CD2-CG2 4.38Å; L396-I509 HydrophobicContact CB-CD1 4.29Å; L396-I509 HydrophobicContact CD2-CD1 3.84Å; L396-I509 HydrophobicContact CD2-CG1 4.17Å; L396-I509 HydrophobicContact CG-CD1 4.21Å; L396-L539 HydrophobicContact CD2-CD2 3.99Å
397L93.9Very high92.5Very high16 Ų1627.5 Ų27.58%0.08417%0.165CC..THydrogen-bonded Turntrans-77.4-3.2172.4-69.2167.2000113.8T393 L395 F399 R423 I426 V428 I509T393-L397 WeakPolarHBondContact O-CG 3.47Å; T393-L397 PolarHBondContact O-N 3.4Å; T393-L397 VanDerWaalsContact O-N 3.08Å; L395-L397 VanDerWaalsContact C-N 3.3Å; L395-L397 PolarHBondContact O-N 3.46Å; L397-F399 VanDerWaalsContact C-N 3.29Å; L397-F399 HydrophobicContact CB-CD1 4.37Å; L397-F399 HydrophobicContact CB-CD2 4.37Å; L397-F399 HydrophobicContact CB-CE1 4.34Å; L397-F399 HydrophobicContact CB-CE2 4.34Å; L397-F399 HydrophobicContact CB-CG 4.38Å; L397-F399 HydrophobicContact CB-CZ 4.33Å; L397-F399 HydrophobicContact CD1-CD2 4.46Å; L397-F399 HydrophobicContact CD1-CE2 3.87Å; L397-F399 HydrophobicContact CD1-CZ 4.11Å; L397-F399 PolarHBondContact O-N 3.31Å; L397-R423 PolarHBondContact O-NE 2.85Å; L397-I426 HydrophobicContact CD2-CB 4.14Å; L397-I426 HydrophobicContact CD2-CD1 4.4Å; L397-I426 HydrophobicContact CD2-CG2 3.66Å; L397-V428 HydrophobicContact CD1-CG2 3.71Å; L397-V428 HydrophobicContact CD2-CG2 3.74Å; L397-V428 HydrophobicContact CG-CG2 4.25Å; L397-I509 HydrophobicContact CD1-CD1 4.38Å; L397-I509 HydrophobicContact CD2-CD1 4.24Å; L397-I509 HydrophobicContact CG-CD1 3.97Å
398R94.1Very high93Very high5 Ų528.6 Ų28.62%0.01917%0.169CC..THydrogen-bonded Turntrans51.248.1-175-157.8-179.4169.9-151.9-12.9111.7V334 K335 D336 R394 L395 L396 Y400 D401 I414 A415 V417 L422 R423V334-R398 HydrophobicContact CG1-CG 3.95Å; K335-R398 PolarHBondContact O-NH2 3.23Å; D336-R398 IonicContact OD1-NH1 3.16Å; R394-R398 PolarHBondContact O-N 3.38Å; L395-R398 WeakPolarHBondContact O-CA 3.44Å; L395-R398 PolarHBondContact O-N 3.22Å; L396-R398 PolarHBondContact O-N 2.83Å; R398-Y400 VanDerWaalsContact C-N 3.26Å; R398-D401 WeakPolarHBondContact CG-OD1 3.12Å; R398-D401 IonicContact CZ-OD1 2.89Å; R398-D401 IonicContact NE-OD1 3.49Å; R398-D401 PolarHBondContact NE-OD1 3.06Å; R398-D401 IonicContact NH2-OD1 3.1Å; R398-D401 IonicContact NH2-OD2 3.23Å; R398-I414 HydrophobicContact CB-CD1 4.45Å; R398-I414 WeakPolarHBondContact CD-O 3.32Å; R398-I414 PolarHBondContact NH1-O 3.25Å; R398-A415 PolarHBondContact NH1-O 3.41Å; R398-A415 PolarHBondContact NH2-O 2.9Å; R398-V417 PolarHBondContact NH1-O 3.02Å; R398-V417 VanDerWaalsContact NH1-O 3.11Å; R398-L422 HydrophobicContact CB-CD2 3.73Å; R398-R423 PolarHBondContact O-NH2 3.4Å
399F91.9Very high93.3Very high58 Ų5828.3 Ų28.325%0.25417%0.166SC..SBendtrans-78-20.2164.6-70-21.6000111.9Y117 R394 L397Y117-F399 HydrophobicContact CD2-CD2 4.26Å; Y117-F399 HydrophobicContact CD2-CE2 4.5Å; Y117-F399 HydrophobicContact CG-CB 4.38Å; Y117-F399 HydrophobicContact CG-CD2 4.34Å; Y117-F399 HydrophobicContact CG-CG 4.43Å; R394-F399 HydrophobicContact CB-CB 4.48Å; R394-F399 HydrophobicContact CB-CD2 4.37Å; R394-F399 HydrophobicContact CG-CD2 4.26Å; R394-F399 PolarHBondContact O-N 2.98Å; L397-F399 VanDerWaalsContact C-N 3.29Å; L397-F399 HydrophobicContact CB-CD1 4.37Å; L397-F399 HydrophobicContact CB-CD2 4.37Å; L397-F399 HydrophobicContact CB-CE1 4.34Å; L397-F399 HydrophobicContact CB-CE2 4.34Å; L397-F399 HydrophobicContact CB-CG 4.38Å; L397-F399 HydrophobicContact CB-CZ 4.33Å; L397-F399 HydrophobicContact CD1-CD2 4.46Å; L397-F399 HydrophobicContact CD1-CE2 3.87Å; L397-F399 HydrophobicContact CD1-CZ 4.11Å; L397-F399 PolarHBondContact O-N 3.31Å
400Y92.4Very high93.4Very high22 Ų2229 Ų299%0.08617%0.17CC..SBendtrans-139.1148.2172.3-61.1-89.5000107.9Y117 R118 F357 Y359 R394 L395 R398Y117-Y400 AromaticContact CD1-CE2 3.68Å; Y117-Y400 HydrophobicContact CD1-CE2 3.68Å; Y117-Y400 AromaticContact CD1-CZ 3.86Å; Y117-Y400 WeakPolarHBondContact CD1-OH 3.33Å; Y117-Y400 HydrophobicContact CE1-CE2 4.46Å; Y117-Y400 HydrophobicContact CG-CE2 4.48Å; R118-Y400 HydrophobicContact CB-CE1 3.97Å; F357-Y400 HydrophobicContact CE1-CG 4.45Å; F357-Y400 HydrophobicContact CE2-CD1 4.03Å; F357-Y400 AromaticContact CE2-CG 3.98Å; F357-Y400 HydrophobicContact CE2-CG 3.98Å; F357-Y400 AromaticContact CZ-CD1 3.56Å; F357-Y400 HydrophobicContact CZ-CD1 3.56Å; F357-Y400 HydrophobicContact CZ-CD2 4.24Å; F357-Y400 HydrophobicContact CZ-CE1 4.23Å; F357-Y400 AromaticContact CZ-CG 3.55Å; F357-Y400 HydrophobicContact CZ-CG 3.55Å; Y359-Y400 AromaticContact CD1-CE1 3.89Å; Y359-Y400 HydrophobicContact CD1-CE1 3.89Å; Y359-Y400 HydrophobicContact CD1-CE2 4.28Å; Y359-Y400 AromaticContact CD1-CZ 3.72Å; Y359-Y400 HydrophobicContact CE1-CD2 4.24Å; Y359-Y400 HydrophobicContact CE1-CE1 4.08Å; Y359-Y400 AromaticContact CE1-CE2 3.62Å; Y359-Y400 HydrophobicContact CE1-CE2 3.62Å; Y359-Y400 AromaticContact CE1-CZ 3.51Å; R394-Y400 HydrophobicContact CB-CD2 4.23Å; L395-Y400 WeakPolarHBondContact CD2-O 3.46Å; R398-Y400 VanDerWaalsContact C-N 3.26Å
401D91.6Very high93.5Very high62 Ų6232.1 Ų32.133%0.33219%0.185SC..  trans-88.3154.8165-71.3-38.3000109.6F357 R398F357-D401 WeakPolarHBondContact CD2-O 3.45Å; F357-D401 WeakPolarHBondContact CE2-O 3.28Å; R398-D401 WeakPolarHBondContact CG-OD1 3.12Å; R398-D401 IonicContact CZ-OD1 2.89Å; R398-D401 IonicContact NE-OD1 3.49Å; R398-D401 PolarHBondContact NE-OD1 3.06Å; R398-D401 IonicContact NH2-OD1 3.1Å; R398-D401 IonicContact NH2-OD2 3.23Å
402C91.4Very high93.6Very high38 Ų3834.4 Ų34.426%0.25720%0.2SC..  trans-72.1146.5-179.3-56.80000110.6V355 S404V355-C402 HydrophobicContact CG1-CB 4.35Å; C402-S404 WeakPolarHBondContact CB-O 3.2Å
403T91.5Very high93.6Very high108 Ų10836.3 Ų36.366%0.66321%0.21SC*.SBendtrans-71.7-39.3173.2-52.50000110.8S356S356-T403 WeakPolarHBondContact O-CB 3.18Å; S356-T403 PolarHBondContact O-N 3.28Å
404S93Very high93.7Very high54 Ų5436.4 Ų36.438%0.37821%0.21SC..EExtended strand (participates in β ladder)trans-146.1162.3169.272.80000109.9V355 S356 C402V355-S404 WeakPolarHBondContact CA-O 3.42Å; S356-S404 VanDerWaalsContact CB-OG 3.27Å; S356-S404 WeakPolarHBondContact CB-OG 3.35Å; S356-S404 PolarHBondContact N-O 3.09Å; S356-S404 PolarHBondContact O-N 3.3Å; S356-S404 PolarHBondContact OG-OG 3.39Å; C402-S404 WeakPolarHBondContact CB-O 3.2Å
405G93.6Very high93.7Very high43 Ų4334.4 Ų34.444%0.44321%0.209SC..EExtended strand (participates in β ladder)trans83.2-172-175.300000112.6R353 D354R353-G405 CarbonylContact O-C 3.57Å; R353-G405 WeakPolarHBondContact O-CA 3.2Å; D354-G405 WeakPolarHBondContact O-CA 3.35Å
406S95.7Very high93.6Very high30 Ų3039.1 Ų39.121%0.2123%0.234CC..EExtended strand (participates in β ladder)trans-153.9152.2-176.440.60000112.1R353 F408R353-S406 PolarHBondContact N-O 3.21Å; R353-S406 PolarHBondContact O-N 3.25Å; S406-F408 WeakPolarHBondContact OG-CE2 3.18Å; S406-F408 WeakPolarHBondContact OG-CZ 3.36Å
407I96.7Very high93.6Very high2 Ų239.5 Ų39.51%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-116.6130.4177.5-58.9169.6000108E351 F352 V355 L395 L396 N413 I414E351-I407 CarbonylContact O-C 3.56Å; E351-I407 WeakPolarHBondContact O-CA 3.45Å; F352-I407 HydrophobicContact CD1-CD1 3.9Å; F352-I407 HydrophobicContact CD1-CG1 3.8Å; F352-I407 HydrophobicContact CD2-CG2 4.31Å; F352-I407 HydrophobicContact CE1-CD1 3.44Å; F352-I407 VanDerWaalsContact CE1-CD1 3.44Å; F352-I407 HydrophobicContact CE1-CG1 3.85Å; F352-I407 HydrophobicContact CE2-CG2 4.11Å; F352-I407 HydrophobicContact CG-CG1 4.2Å; F352-I407 HydrophobicContact CZ-CD1 3.88Å; F352-I407 HydrophobicContact CZ-CG1 4.3Å; F352-I407 HydrophobicContact CZ-CG2 4.28Å; V355-I407 HydrophobicContact CG2-CG1 3.86Å; L395-I407 HydrophobicContact CB-CD1 3.72Å; L396-I407 HydrophobicContact CD1-CG2 4.07Å; I407-N413 WeakPolarHBondContact O-CA 3.35Å; I407-N413 PolarHBondContact O-OD1 3.45Å; I407-I414 HydrophobicContact CB-CD1 3.68Å; I407-I414 HydrophobicContact CB-CG1 3.98Å; I407-I414 HydrophobicContact CD1-CD1 4.16Å; I407-I414 HydrophobicContact CG1-CD1 4.5Å; I407-I414 HydrophobicContact CG2-CD1 3.75Å; I407-I414 HydrophobicContact CG2-CG1 4.31Å; I407-I414 HydrophobicContact CG2-CG2 4.43Å; I407-I414 PolarHBondContact O-N 3.34Å
408F96.7Very high93.6Very high27 Ų2740.4 Ų40.412%0.11824%0.242CC..EExtended strand (participates in β ladder)trans-118.5145.1-178.8-59.9-97.2000110.9V350 E351 R353 S406 C412 N413V350-F408 CarbonylContact C-O 3.37Å; V350-F408 WeakPolarHBondContact CA-O 3.4Å; E351-F408 HydrophobicContact CB-CB 4.3Å; E351-F408 PolarHBondContact N-O 3.1Å; E351-F408 PolarHBondContact O-N 3.47Å; R353-F408 HydrophobicContact CB-CE2 4.38Å; R353-F408 HydrophobicContact CG-CD2 4.08Å; R353-F408 HydrophobicContact CG-CE2 3.95Å; S406-F408 WeakPolarHBondContact OG-CE2 3.18Å; S406-F408 WeakPolarHBondContact OG-CZ 3.36Å; F408-C412 CarbonylContact C-O 3.44Å; F408-C412 VanDerWaalsContact CA-O 3.25Å; F408-C412 WeakPolarHBondContact CA-O 3.32Å; F408-N413 HydrophobicContact CD1-CB 3.99Å; F408-N413 HydrophobicContact CE1-CB 3.74Å; F408-N413 HydrophobicContact CZ-CB 4.4Å
409I95.9Very high93.6Very high0 Ų041.6 Ų41.60%025%0.248CC..EExtended strand (participates in β ladder)trans-125.8122.2166.3-62.4173.8000107.6I343 I345 K349 V350 L396 D411 C412 I414 L422 I426 I507I343-I409 HydrophobicContact CD1-CB 3.95Å; I343-I409 HydrophobicContact CD1-CG2 4.18Å; I345-I409 HydrophobicContact CD1-CG2 3.71Å; I345-I409 HydrophobicContact CG1-CG2 3.87Å; I345-I409 HydrophobicContact CG2-CG2 4.33Å; K349-I409 CarbonylContact O-C 3.52Å; K349-I409 VanDerWaalsContact O-CA 3.24Å; K349-I409 WeakPolarHBondContact O-CA 3.33Å; V350-I409 HydrophobicContact CG2-CG1 4.37Å; L396-I409 HydrophobicContact CD1-CD1 4.2Å; L396-I409 HydrophobicContact CD1-CG1 4.5Å; I409-D411 PolarHBondContact O-N 3.04Å; I409-C412 PolarHBondContact N-O 2.81Å; I409-C412 WeakPolarHBondContact O-CB 3.25Å; I409-C412 PolarHBondContact O-N 2.98Å; I409-I414 HydrophobicContact CB-CG2 4.37Å; I409-I414 HydrophobicContact CD1-CG2 3.7Å; I409-I414 HydrophobicContact CG1-CG2 3.75Å; I409-L422 HydrophobicContact CD1-CD1 3.43Å; I409-L422 VanDerWaalsContact CD1-CD1 3.43Å; I409-I426 HydrophobicContact CD1-CD1 4.39Å; I409-I507 HydrophobicContact CD1-CD1 3.74Å; I409-I507 HydrophobicContact CG1-CD1 4.14Å; I409-I507 HydrophobicContact CG2-CD1 3.78Å
410D93.1Very high93.6Very high26 Ų2643.2 Ų43.214%0.13927%0.267CS..THydrogen-bonded Turntrans4647.6-171.7-72.9-16.9000112.3I345 R346 K347 G348 K349 C412I345-D410 WeakPolarHBondContact CG2-OD2 3.2Å; R346-D410 PolarHBondContact N-OD2 3.39Å; K347-D410 PolarHBondContact N-OD2 2.99Å; G348-D410 PolarHBondContact N-OD1 3.26Å; G348-D410 PolarHBondContact N-OD2 3.34Å; G348-D410 VanDerWaalsContact N-OD2 3.07Å; K349-D410 PolarHBondContact N-OD1 3.28Å; K349-D410 PolarHBondContact O-N 2.84Å; D410-C412 PolarHBondContact O-N 2.72Å; D410-C412 VanDerWaalsContact O-N 3.08Å
411D90.6Very high93.7Very high101 Ų10142.6 Ų42.654%0.5427%0.265SS..THydrogen-bonded Turntrans64.16.7-179.4-49.6-48.2000115.2K349 I409K349-D411 IonicContact NZ-OD1 2.72Å; K349-D411 PolarHBondContact NZ-OD1 3.17Å; I409-D411 PolarHBondContact O-N 3.04Å
412C93.2Very high93.8Very high55 Ų5539.6 Ų39.637%0.37225%0.249SC..EExtended strand (participates in β ladder)trans-94124.9172-66.90000111F408 I409 D410 I414F408-C412 CarbonylContact C-O 3.44Å; F408-C412 VanDerWaalsContact CA-O 3.25Å; F408-C412 WeakPolarHBondContact CA-O 3.32Å; I409-C412 PolarHBondContact N-O 2.81Å; I409-C412 WeakPolarHBondContact O-CB 3.25Å; I409-C412 PolarHBondContact O-N 2.98Å; D410-C412 PolarHBondContact O-N 2.72Å; D410-C412 VanDerWaalsContact O-N 3.08Å; C412-I414 PolarHBondContact O-N 3.2Å
413N94.8Very high93.9Very high39 Ų3941.6 Ų41.621%0.20925%0.251CS..EExtended strand (participates in β ladder)trans-68.2123.2176.4-175-17.2000110.2I407 F408 A415 L416I407-N413 WeakPolarHBondContact O-CA 3.35Å; I407-N413 PolarHBondContact O-OD1 3.45Å; F408-N413 HydrophobicContact CD1-CB 3.99Å; F408-N413 HydrophobicContact CE1-CB 3.74Å; F408-N413 HydrophobicContact CZ-CB 4.4Å; N413-A415 PolarHBondContact O-N 3.23Å; N413-A415 VanDerWaalsContact O-N 3.13Å; N413-A415 WeakPolarHBondContact OD1-CB 3.29Å; N413-A415 PolarHBondContact OD1-N 2.98Å; N413-L416 HydrophobicContact CB-CD1 4.22Å; N413-L416 HydrophobicContact CB-CG 4.3Å; N413-L416 PolarHBondContact O-N 3.46Å; N413-L416 VanDerWaalsContact O-N 3.07Å
414I95Very high94Very high7 Ų742.3 Ų42.34%0.03625%0.247CC..G310 helixtrans-64.6-19.3-176.869.1172.8000113.4R398 I407 I409 C412 L416 V417 L422R398-I414 HydrophobicContact CB-CD1 4.45Å; R398-I414 WeakPolarHBondContact CD-O 3.32Å; R398-I414 PolarHBondContact NH1-O 3.25Å; I407-I414 HydrophobicContact CB-CD1 3.68Å; I407-I414 HydrophobicContact CB-CG1 3.98Å; I407-I414 HydrophobicContact CD1-CD1 4.16Å; I407-I414 HydrophobicContact CG1-CD1 4.5Å; I407-I414 HydrophobicContact CG2-CD1 3.75Å; I407-I414 HydrophobicContact CG2-CG1 4.31Å; I407-I414 HydrophobicContact CG2-CG2 4.43Å; I407-I414 PolarHBondContact O-N 3.34Å; I409-I414 HydrophobicContact CB-CG2 4.37Å; I409-I414 HydrophobicContact CD1-CG2 3.7Å; I409-I414 HydrophobicContact CG1-CG2 3.75Å; C412-I414 PolarHBondContact O-N 3.2Å; I414-L416 VanDerWaalsContact C-N 3.27Å; I414-L416 PolarHBondContact O-N 3Å; I414-V417 WeakPolarHBondContact O-CG2 3.35Å; I414-L422 HydrophobicContact CB-CD1 4.24Å; I414-L422 HydrophobicContact CB-CD2 4.02Å; I414-L422 HydrophobicContact CG2-CD1 3.86Å
415A93.4Very high94Very high29 Ų2942 Ų4224%0.2424%0.24CC..G310 helixtrans-70.9-22.6176.300000113.2R398 N413R398-A415 PolarHBondContact NH1-O 3.41Å; R398-A415 PolarHBondContact NH2-O 2.9Å; N413-A415 PolarHBondContact O-N 3.23Å; N413-A415 VanDerWaalsContact O-N 3.13Å; N413-A415 WeakPolarHBondContact OD1-CB 3.29Å; N413-A415 PolarHBondContact OD1-N 2.98Å
416L93.4Very high94Very high100 Ų10040 Ų4052%0.52422%0.219SC..G310 helixtrans-100.3-1.4-173.8-59.6179.5000113.7V337 A340 P341 N413 I414V337-L416 HydrophobicContact CG2-CD2 4.18Å; A340-L416 WeakPolarHBondContact CB-O 3.28Å; P341-L416 WeakPolarHBondContact CD-O 3.25Å; N413-L416 HydrophobicContact CB-CD1 4.22Å; N413-L416 HydrophobicContact CB-CG 4.3Å; N413-L416 PolarHBondContact O-N 3.46Å; N413-L416 VanDerWaalsContact O-N 3.07Å; I414-L416 VanDerWaalsContact C-N 3.27Å; I414-L416 PolarHBondContact O-N 3Å
417V94.3Very high94Very high8 Ų838.6 Ų38.65%0.04821%0.209CC..SBendtrans-108.4164.1-179.7-590000111.2P341 I343 R398 I414 Q419 L422P341-V417 WeakPolarHBondContact O-CA 3.5Å; I343-V417 HydrophobicContact CB-CB 4.11Å; I343-V417 HydrophobicContact CB-CG1 4.03Å; I343-V417 HydrophobicContact CB-CG2 4.16Å; I343-V417 HydrophobicContact CD1-CG2 4.39Å; I343-V417 HydrophobicContact CG1-CG1 4.28Å; R398-V417 PolarHBondContact NH1-O 3.02Å; R398-V417 VanDerWaalsContact NH1-O 3.11Å; I414-V417 WeakPolarHBondContact O-CG2 3.35Å; V417-Q419 PolarHBondContact O-N 2.84Å; V417-L422 HydrophobicContact CG2-CB 4.32Å
418T94.4Very high93.9Very high34 Ų3441 Ų4121%0.20922%0.224CC..  trans-67133175.360.80000111.5D336 A340 P341 S420 S421 L422D336-T418 VanDerWaalsContact OD2-CA 3.24Å; D336-T418 WeakPolarHBondContact OD2-CA 3.09Å; D336-T418 WeakPolarHBondContact OD2-CB 3.5Å; A340-T418 HydrophobicContact CB-CG2 4.01Å; A340-T418 WeakPolarHBondContact O-CG2 3.31Å; P341-T418 PolarHBondContact O-N 2.88Å; T418-S420 PolarHBondContact O-N 3.38Å; T418-S421 PolarHBondContact O-N 3.42Å; T418-S421 PolarHBondContact O-OG 2.99Å; T418-S421 VanDerWaalsContact OG1-CB 3.27Å; T418-S421 WeakPolarHBondContact OG1-CB 3.23Å; T418-S421 PolarHBondContact OG1-OG 2.95Å; T418-L422 PolarHBondContact O-N 3.45Å; T418-L422 VanDerWaalsContact O-N 3.15Å
419Q93.2Very high93.7Very high31 Ų3139.7 Ų39.715%0.14522%0.218CC..Hα-helixtrans-56.8-36.6178-81.716980.700112.7V334 D336 V417 L422 R423V334-Q419 PolarHBondContact O-NE2 3.2Å; V334-Q419 VanDerWaalsContact O-NE2 3.13Å; D336-Q419 WeakPolarHBondContact OD1-CB 3.35Å; D336-Q419 WeakPolarHBondContact OD1-CG 3.32Å; D336-Q419 PolarHBondContact OD1-N 2.76Å; D336-Q419 VanDerWaalsContact OD1-N 3.08Å; D336-Q419 PolarHBondContact OD1-NE2 3.33Å; D336-Q419 PolarHBondContact OD2-N 3.44Å; D336-Q419 VanDerWaalsContact OD2-N 3.12Å; V417-Q419 PolarHBondContact O-N 2.84Å; Q419-L422 PolarHBondContact O-N 2.71Å; Q419-R423 WeakPolarHBondContact O-CB 3.24Å; Q419-R423 WeakPolarHBondContact O-CG 3.31Å; Q419-R423 PolarHBondContact O-N 2.91Å
420S92.5Very high93.5Very high92 Ų9241.8 Ų41.864%0.64323%0.232SC*.Hα-helixtrans-62.4-47179.3-171.30000111.7T418 Q424T418-S420 PolarHBondContact O-N 3.38Å; S420-Q424 WeakPolarHBondContact O-CB 3.33Å; S420-Q424 PolarHBondContact O-N 3.45Å
421S93.2Very high93.2Very high8 Ų844.2 Ų44.26%0.05624%0.242CC..Hα-helixtrans-67.5-38.4-179.868.50000112A342 I343 T418 Q424 H425A342-S421 WeakPolarHBondContact CA-OG 3.36Å; I343-S421 PolarHBondContact N-OG 3.23Å; T418-S421 PolarHBondContact O-N 3.42Å; T418-S421 PolarHBondContact O-OG 2.99Å; T418-S421 VanDerWaalsContact OG1-CB 3.27Å; T418-S421 WeakPolarHBondContact OG1-CB 3.23Å; T418-S421 PolarHBondContact OG1-OG 2.95Å; S421-Q424 PolarHBondContact O-N 2.89Å; S421-H425 PolarHBondContact O-ND1 3.17Å
422L94.5Very high93Very high0 Ų046.5 Ų46.50%025%0.25CC..Hα-helixtrans-58.6-56.5173.9174.765.9000111.2I343 R398 I409 I414 V417 T418 Q419 Q424 H425 I426I343-L422 HydrophobicContact CD1-CD1 4.41Å; R398-L422 HydrophobicContact CB-CD2 3.73Å; I409-L422 HydrophobicContact CD1-CD1 3.43Å; I409-L422 VanDerWaalsContact CD1-CD1 3.43Å; I414-L422 HydrophobicContact CB-CD1 4.24Å; I414-L422 HydrophobicContact CB-CD2 4.02Å; I414-L422 HydrophobicContact CG2-CD1 3.86Å; V417-L422 HydrophobicContact CG2-CB 4.32Å; T418-L422 PolarHBondContact O-N 3.45Å; T418-L422 VanDerWaalsContact O-N 3.15Å; Q419-L422 PolarHBondContact O-N 2.71Å; L422-Q424 PolarHBondContact O-N 2.98Å; L422-H425 PolarHBondContact O-N 3.47Å; L422-I426 HydrophobicContact CD1-CD1 3.89Å; L422-I426 HydrophobicContact CG-CD1 4.15Å
423R94.4Very high92.8Very high79 Ų7944.4 Ų44.430%0.29824%0.235SC..Hα-helixtrans-68.2-24.6-175.6-68.1178.2-172.3153.111.3112.2L397 R398 Q419 H425 I426 K503L397-R423 PolarHBondContact O-NE 2.85Å; R398-R423 PolarHBondContact O-NH2 3.4Å; Q419-R423 WeakPolarHBondContact O-CB 3.24Å; Q419-R423 WeakPolarHBondContact O-CG 3.31Å; Q419-R423 PolarHBondContact O-N 2.91Å; R423-H425 PolarHBondContact O-N 2.93Å; R423-I426 PolarHBondContact O-N 3.5Å; R423-K503 WeakPolarHBondContact O-CE 3.25Å; R423-K503 PolarHBondContact O-NZ 3.09Å
424Q92.4Very high92.6Very high124 Ų12448.4 Ų48.458%0.57926%0.257SS*.Hα-helixtrans-61.9-32.6175.8-175.9174.7-8.300112.6S420 S421 L422 K503S420-Q424 WeakPolarHBondContact O-CB 3.33Å; S420-Q424 PolarHBondContact O-N 3.45Å; S421-Q424 PolarHBondContact O-N 2.89Å; L422-Q424 PolarHBondContact O-N 2.98Å; Q424-K503 WeakPolarHBondContact O-CE 3.22Å
425H93Very high92.5Very high47 Ų4749.4 Ų49.422%0.21826%0.262CS..THydrogen-bonded Turntrans-92.7-5.6-177.3-6589.3000114.8I345 S421 L422 R423 P505 S506 I507I345-H425 HydrophobicContact CD1-CB 3.41Å; I345-H425 VanDerWaalsContact CD1-CB 3.41Å; I345-H425 HydrophobicContact CG1-CB 4.5Å; S421-H425 PolarHBondContact O-ND1 3.17Å; L422-H425 PolarHBondContact O-N 3.47Å; R423-H425 PolarHBondContact O-N 2.93Å; H425-P505 WeakPolarHBondContact O-CA 3.29Å; H425-P505 WeakPolarHBondContact O-CB 3.25Å; H425-S506 PolarHBondContact O-N 2.85Å; H425-I507 PolarHBondContact O-N 3.02Å
426I94.9Very high92.5Very high0 Ų053.6 Ų53.60%028%0.275CS..EExtended strand (participates in β ladder)trans-108.4120-179.2-57.6169.8000109.4L396 L397 I409 L422 R423 V428 K503 I507 I509L396-I426 HydrophobicContact CG-CD1 4.34Å; L397-I426 HydrophobicContact CD2-CB 4.14Å; L397-I426 HydrophobicContact CD2-CD1 4.4Å; L397-I426 HydrophobicContact CD2-CG2 3.66Å; I409-I426 HydrophobicContact CD1-CD1 4.39Å; L422-I426 HydrophobicContact CD1-CD1 3.89Å; L422-I426 HydrophobicContact CG-CD1 4.15Å; R423-I426 PolarHBondContact O-N 3.5Å; I426-V428 HydrophobicContact CG2-CG2 4.43Å; I426-K503 VanDerWaalsContact O-CE 3.24Å; I426-K503 WeakPolarHBondContact O-CE 3.45Å; I426-K503 PolarHBondContact O-NZ 2.86Å; I426-I507 WeakPolarHBondContact CA-O 3.05Å; I426-I507 HydrophobicContact CG1-CB 4.22Å; I426-I507 HydrophobicContact CG1-CD1 4.44Å; I426-I509 HydrophobicContact CG2-CD1 3.62Å; I426-I509 HydrophobicContact CG2-CG1 3.89Å
427A94.6Very high92.5Very high1 Ų152.3 Ų52.31%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-97.8148.3167.500000110.9A500 K503 P505 I507 I509A427-A500 HydrophobicContact CB-CB 3.73Å; A427-K503 HydrophobicContact CB-CD 4.26Å; A427-P505 HydrophobicContact CB-CB 3.65Å; A427-P505 HydrophobicContact CB-CG 3.5Å; A427-P505 VanDerWaalsContact CB-CG 3.5Å; A427-I507 PolarHBondContact N-O 3.07Å; A427-I509 PolarHBondContact O-N 3.47Å
428V93.8Very high92.6Very high52 Ų5256.2 Ų56.232%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-128129-179.3-1730000108.1L397 I426 I509L397-V428 HydrophobicContact CD1-CG2 3.71Å; L397-V428 HydrophobicContact CD2-CG2 3.74Å; L397-V428 HydrophobicContact CG-CG2 4.25Å; I426-V428 HydrophobicContact CG2-CG2 4.43Å; V428-I509 CarbonylContact C-O 3.56Å; V428-I509 WeakPolarHBondContact CA-O 3.31Å; V428-I509 HydrophobicContact CG1-CB 4.44Å; V428-I509 HydrophobicContact CG1-CG2 4.44Å; V428-I509 HydrophobicContact CG2-CB 4.34Å; V428-I509 HydrophobicContact CG2-CD1 4.41Å
429V93.3Very high92.6Very high1 Ų155.3 Ų55.31%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-106.3102.1165.7-176.20000106.7A496 I497 A500 I509 L510 D511 A513 L529V429-A496 HydrophobicContact CG1-CB 4.26Å; V429-I497 HydrophobicContact CG1-CG1 4.34Å; V429-I497 HydrophobicContact CG2-CG1 4.45Å; V429-A500 HydrophobicContact CG2-CB 4.02Å; V429-I509 PolarHBondContact N-O 3.19Å; V429-L510 HydrophobicContact CB-CD2 3.7Å; V429-L510 HydrophobicContact CG2-CD2 3.66Å; V429-D511 PolarHBondContact O-N 2.89Å; V429-A513 HydrophobicContact CB-CB 4.5Å; V429-A513 HydrophobicContact CG1-CB 3.85Å; V429-L529 HydrophobicContact CG1-CD2 4.32Å; V429-L529 HydrophobicContact CG2-CD2 4.27Å
430P91.4Very high92.7Very high44 Ų4453.9 Ų53.929%0.28628%0.275SS..  trans-76.5168.6-175.433.5-36.3000111.8E432 Q493 D511P430-E432 WeakPolarHBondContact CG-O 3.37Å; P430-Q493 PolarHBondContact O-NE2 2.91Å; P430-D511 CarbonylContact C-O 3.52Å
431Q86.9Confident92.8Very high77 Ų7752 Ų5236%0.3626%0.255SS..SBendtrans-63.8-46.3174-179.2169.826.200112D511 E512 S515Q431-D511 VanDerWaalsContact CA-O 3.24Å; Q431-D511 WeakPolarHBondContact CA-O 3.38Å; Q431-D511 WeakPolarHBondContact CB-O 3.36Å; Q431-D511 PolarHBondContact N-O 2.71Å; Q431-E512 HydrophobicContact CB-CB 4.2Å; Q431-E512 HydrophobicContact CG-CB 4.11Å; Q431-E512 PolarHBondContact NE2-OE2 3.2Å; Q431-S515 WeakPolarHBondContact CG-OG 3.42Å; Q431-S515 PolarHBondContact NE2-OG 3.24Å
432E86.2Confident92.9Very high149 Ų14955.8 Ų55.870%0.69627%0.271SS*.SBendtrans-115.8120.1175.6-67.8-173.2169.300109.9P430P430-E432 WeakPolarHBondContact CG-O 3.37Å
433T90.1Very high92.9Very high10 Ų1055.8 Ų55.86%0.06127%0.271CS..  trans-89113.8178.6-62.80000111L435 K492 Q493 A496T433-L435 HydrophobicContact CG2-CD2 4.41Å; T433-K492 VanDerWaalsContact CG2-O 3.31Å; T433-K492 WeakPolarHBondContact CG2-O 3.27Å; T433-Q493 PolarHBondContact OG1-OE1 3.38Å; T433-A496 HydrophobicContact CG2-CB 3.74Å; T433-A496 WeakPolarHBondContact OG1-CB 3.4Å
434N90.6Very high93Very high124 Ų12452 Ų5266%0.66326%0.257SS*.  trans-79.7134.4172.2-67.7-30.8000111.2R499N434-R499 PolarHBondContact O-NH1 3.41Å; N434-R499 PolarHBondContact O-NH2 2.98Å
435L93.3Very high93.1Very high28 Ų2847 Ų4715%0.14724%0.238CC..  trans-108133.8173.1-60.8179.7000109.1T433 N443 V480 L487 K492 V495T433-L435 HydrophobicContact CG2-CD2 4.41Å; L435-N443 WeakPolarHBondContact CA-OD1 3.38Å; L435-N443 HydrophobicContact CD2-CB 4.49Å; L435-V480 HydrophobicContact CB-CG2 4.38Å; L435-V480 HydrophobicContact CD1-CB 4.06Å; L435-V480 HydrophobicContact CD1-CG2 4.08Å; L435-L487 HydrophobicContact CD1-CB 4.33Å; L435-L487 HydrophobicContact CD1-CD1 3.82Å; L435-L487 HydrophobicContact CD1-CG 4.14Å; L435-K492 HydrophobicContact CD1-CG 4.05Å; L435-K492 HydrophobicContact CG-CG 4.49Å; L435-V495 HydrophobicContact CD2-CB 4.33Å; L435-V495 HydrophobicContact CD2-CG1 3.9Å
436F93.3Very high93.1Very high116 Ų11648.5 Ų48.551%0.50925%0.247SC..  trans-73.7147.5169.2-70.9-100000109Q438 F442 N443 L446 V480F436-Q438 HydrophobicContact CB-CB 4.42Å; F436-Q438 PolarHBondContact O-N 3.01Å; F436-F442 HydrophobicContact CB-CD1 4.4Å; F436-F442 HydrophobicContact CB-CE1 4.1Å; F436-F442 HydrophobicContact CG-CE1 4.26Å; F436-N443 PolarHBondContact N-OD1 3.36Å; F436-N443 PolarHBondContact O-ND2 3.34Å; F436-L446 HydrophobicContact CD2-CD1 3.25Å; F436-L446 HydrophobicContact CE2-CD1 3.36Å; F436-L446 HydrophobicContact CG-CD1 4.16Å; F436-L446 HydrophobicContact CZ-CD1 4.33Å; F436-V480 VanDerWaalsContact O-O 3.05Å
437N93.4Very high92.8Very high74 Ų7449.1 Ų49.140%0.39625%0.254SS..SBendtrans-69.364.6173.9-69-44.5000111.2V480 G481 E482 R483N437-V480 VanDerWaalsContact CA-O 3.25Å; N437-V480 WeakPolarHBondContact CA-O 3.13Å; N437-G481 WeakPolarHBondContact OD1-CA 3.43Å; N437-E482 PolarHBondContact OD1-N 3.49Å; N437-R483 PolarHBondContact OD1-N 2.85Å
438Q94.6Very high92.7Very high89 Ų8952.9 Ų52.942%0.41627%0.268SS..EExtended strand (participates in β ladder)trans-151.3175.4-171.8-75.8-63.2-16.700109.1F436 F442 N443 V480F436-Q438 HydrophobicContact CB-CB 4.42Å; F436-Q438 PolarHBondContact O-N 3.01Å; Q438-F442 HydrophobicContact CB-CB 3.9Å; Q438-F442 HydrophobicContact CB-CD1 3.39Å; Q438-F442 HydrophobicContact CB-CE1 4.06Å; Q438-F442 HydrophobicContact CB-CG 3.72Å; Q438-F442 HydrophobicContact CG-CD1 3.72Å; Q438-F442 HydrophobicContact CG-CE1 3.9Å; Q438-F442 HydrophobicContact CG-CG 4.08Å; Q438-F442 HydrophobicContact CG-CZ 4.41Å; Q438-N443 PolarHBondContact O-ND2 3.17Å; Q438-V480 PolarHBondContact N-O 2.91Å; Q438-V480 VanDerWaalsContact O-CG2 3.31Å; Q438-V480 WeakPolarHBondContact O-CG2 3.49Å; Q438-V480 PolarHBondContact O-N 3.48Å
439S94.8Very high92.1Very high16 Ų1654.4 Ų54.411%0.11229%0.286CS..EExtended strand (participates in β ladder)trans-61.3158.817966.10000113.4K441 F442 N443 D477 C478S439-K441 PolarHBondContact O-N 2.62Å; S439-F442 PolarHBondContact O-N 3.43Å; S439-F442 PolarHBondContact OG-N 3.04Å; S439-F442 VanDerWaalsContact OG-N 3.15Å; S439-N443 PolarHBondContact O-N 3.29Å; S439-N443 PolarHBondContact O-ND2 3.03Å; S439-D477 WeakPolarHBondContact CB-O 3.44Å; S439-C478 CarbonylContact C-O 3.56Å; S439-C478 VanDerWaalsContact CA-O 3.29Å; S439-C478 WeakPolarHBondContact CA-O 3.41Å
440I94.7Very high91.9Very high1 Ų162.4 Ų62.41%0.00533%0.328CS..Hα-helixtrans-58.3-41.9172.3-64.6174.8000110.2F442 N443 I444 I469 F472 Y476 C478 V480I440-F442 PolarHBondContact O-N 3.42Å; I440-N443 WeakPolarHBondContact O-CB 3.31Å; I440-N443 PolarHBondContact O-N 3.02Å; I440-N443 VanDerWaalsContact O-N 3.1Å; I440-I444 HydrophobicContact CG2-CD1 3.85Å; I440-I444 HydrophobicContact CG2-CG1 4.3Å; I440-I444 WeakPolarHBondContact O-CG1 3.32Å; I440-I444 PolarHBondContact O-N 3.2Å; I440-I469 HydrophobicContact CD1-CG1 4.2Å; I440-I469 HydrophobicContact CG2-CD1 3.7Å; I440-I469 HydrophobicContact CG2-CG1 4.03Å; I440-F472 HydrophobicContact CD1-CD2 3.64Å; I440-F472 HydrophobicContact CD1-CE2 3.64Å; I440-Y476 PolarHBondContact N-O 2.97Å; I440-C478 HydrophobicContact CD1-CB 4.11Å; I440-C478 PolarHBondContact N-O 3.4Å; I440-V480 HydrophobicContact CD1-CG1 3.95Å; I440-V480 HydrophobicContact CG1-CB 4.45Å; I440-V480 HydrophobicContact CG1-CG1 3.48Å; I440-V480 VanDerWaalsContact CG1-CG1 3.48Å; I440-V480 HydrophobicContact CG1-CG2 4.11Å
441K95.2Very high91.9Very high51 Ų5161.2 Ų61.222%0.22232%0.323CS..Hα-helixtrans-52.6-49.9174-174.7174175174.20112.4S439 N443 I444 G445 E453 I456 Y476S439-K441 PolarHBondContact O-N 2.62Å; K441-N443 VanDerWaalsContact C-N 3.34Å; K441-N443 PolarHBondContact O-N 3.4Å; K441-I444 PolarHBondContact O-N 2.89Å; K441-G445 PolarHBondContact O-N 3.15Å; K441-E453 IonicContact NZ-OE1 3.32Å; K441-E453 PolarHBondContact NZ-OE1 2.97Å; K441-E453 IonicContact NZ-OE2 2.96Å; K441-E453 PolarHBondContact NZ-OE2 2.94Å; K441-I456 HydrophobicContact CG-CD1 4.06Å; K441-Y476 WeakPolarHBondContact CB-O 3.41Å; K441-Y476 PolarHBondContact N-O 3.47Å
442F95.2Very high92.2Very high89 Ų8960 Ų6039%0.3932%0.323SS..Hα-helixtrans-60.4-46.2176.4178.2-88.4000111F436 Q438 S439 I440 I444 G445 L446F436-F442 HydrophobicContact CB-CD1 4.4Å; F436-F442 HydrophobicContact CB-CE1 4.1Å; F436-F442 HydrophobicContact CG-CE1 4.26Å; Q438-F442 HydrophobicContact CB-CB 3.9Å; Q438-F442 HydrophobicContact CB-CD1 3.39Å; Q438-F442 HydrophobicContact CB-CE1 4.06Å; Q438-F442 HydrophobicContact CB-CG 3.72Å; Q438-F442 HydrophobicContact CG-CD1 3.72Å; Q438-F442 HydrophobicContact CG-CE1 3.9Å; Q438-F442 HydrophobicContact CG-CG 4.08Å; Q438-F442 HydrophobicContact CG-CZ 4.41Å; S439-F442 PolarHBondContact O-N 3.43Å; S439-F442 PolarHBondContact OG-N 3.04Å; S439-F442 VanDerWaalsContact OG-N 3.15Å; I440-F442 PolarHBondContact O-N 3.42Å; F442-I444 PolarHBondContact O-N 3.46Å; F442-G445 PolarHBondContact O-N 3.15Å; F442-L446 HydrophobicContact CD1-CD1 4.49Å; F442-L446 HydrophobicContact CD1-CG 4.45Å; F442-L446 HydrophobicContact CE1-CD1 4.18Å; F442-L446 HydrophobicContact CE1-CD2 3.93Å; F442-L446 HydrophobicContact CE1-CG 4.13Å; F442-L446 HydrophobicContact CZ-CD2 4.06Å; F442-L446 WeakPolarHBondContact O-CG 3.49Å; F442-L446 PolarHBondContact O-N 3.29Å; F442-L446 VanDerWaalsContact O-N 3.1Å
443N95.3Very high92.6Very high0 Ų058.8 Ų58.80%032%0.317CS..Hα-helixtrans-61.6-40.3-178.6-87.4-81.6000112.9L435 F436 Q438 S439 I440 K441 V480 V495 R499L435-N443 WeakPolarHBondContact CA-OD1 3.38Å; L435-N443 HydrophobicContact CD2-CB 4.49Å; F436-N443 PolarHBondContact N-OD1 3.36Å; F436-N443 PolarHBondContact O-ND2 3.34Å; Q438-N443 PolarHBondContact O-ND2 3.17Å; S439-N443 PolarHBondContact O-N 3.29Å; S439-N443 PolarHBondContact O-ND2 3.03Å; I440-N443 WeakPolarHBondContact O-CB 3.31Å; I440-N443 PolarHBondContact O-N 3.02Å; I440-N443 VanDerWaalsContact O-N 3.1Å; K441-N443 VanDerWaalsContact C-N 3.34Å; K441-N443 PolarHBondContact O-N 3.4Å; N443-V480 WeakPolarHBondContact ND2-CG2 3.23Å; N443-V495 HydrophobicContact CB-CG1 4.35Å; N443-R499 WeakPolarHBondContact O-CG 3.27Å; N443-R499 PolarHBondContact O-NE 3.32Å; N443-R499 PolarHBondContact OD1-NH2 3.1Å
444I95.9Very high92.8Very high0 Ų064.5 Ų64.50%035%0.347CS..Hα-helixtrans-70.9-43.9174.2-63.1173.6000110.1I440 K441 F442 L446 G447 I456 A460 I469 Y476 V495 A498 L502I440-I444 HydrophobicContact CG2-CD1 3.85Å; I440-I444 HydrophobicContact CG2-CG1 4.3Å; I440-I444 WeakPolarHBondContact O-CG1 3.32Å; I440-I444 PolarHBondContact O-N 3.2Å; K441-I444 PolarHBondContact O-N 2.89Å; F442-I444 PolarHBondContact O-N 3.46Å; I444-L446 PolarHBondContact O-N 2.92Å; I444-G447 PolarHBondContact O-N 3.48Å; I444-I456 HydrophobicContact CB-CG2 4.04Å; I444-I456 HydrophobicContact CD1-CG2 4.47Å; I444-I456 HydrophobicContact CG2-CG2 3.85Å; I444-A460 HydrophobicContact CD1-CB 4.04Å; I444-I469 HydrophobicContact CD1-CD1 4.06Å; I444-Y476 HydrophobicContact CD1-CE1 4.4Å; I444-V495 HydrophobicContact CG1-CG1 4.14Å; I444-A498 HydrophobicContact CD1-CB 4.27Å; I444-A498 HydrophobicContact CG1-CB 4.17Å; I444-A498 HydrophobicContact CG2-CB 3.95Å; I444-L502 HydrophobicContact CG2-CD2 4.27Å; I444-L502 VanDerWaalsContact O-CD2 3.29Å; I444-L502 WeakPolarHBondContact O-CD2 3.33Å
445G94.9Very high93Very high19 Ų1960.6 Ų60.620%0.19633%0.325CS..Hα-helixtrans-58-19.5179.100000115.2K441 F442 G447 R448K441-G445 PolarHBondContact O-N 3.15Å; F442-G445 PolarHBondContact O-N 3.15Å; G445-G447 PolarHBondContact O-N 2.96Å; G445-G447 VanDerWaalsContact O-N 3.15Å; G445-R448 CarbonylContact O-C 3.43Å; G445-R448 PolarHBondContact O-N 3.29Å
446L92.8Very high93.2Very high77 Ų7759.8 Ų59.840%0.40332%0.321SS..THydrogen-bonded Turntrans-58.6-22.8171.1-71.2169.5000113.6F436 F442 I444 R448F436-L446 HydrophobicContact CD2-CD1 3.25Å; F436-L446 HydrophobicContact CE2-CD1 3.36Å; F436-L446 HydrophobicContact CG-CD1 4.16Å; F436-L446 HydrophobicContact CZ-CD1 4.33Å; F442-L446 HydrophobicContact CD1-CD1 4.49Å; F442-L446 HydrophobicContact CD1-CG 4.45Å; F442-L446 HydrophobicContact CE1-CD1 4.18Å; F442-L446 HydrophobicContact CE1-CD2 3.93Å; F442-L446 HydrophobicContact CE1-CG 4.13Å; F442-L446 HydrophobicContact CZ-CD2 4.06Å; F442-L446 WeakPolarHBondContact O-CG 3.49Å; F442-L446 PolarHBondContact O-N 3.29Å; F442-L446 VanDerWaalsContact O-N 3.1Å; I444-L446 PolarHBondContact O-N 2.92Å; L446-R448 VanDerWaalsContact C-N 3.26Å; L446-R448 PolarHBondContact O-N 3.33Å
447G89.6Confident93.3Very high13 Ų1356.6 Ų56.613%0.13431%0.311CS..THydrogen-bonded Turntrans-60.3-34.9178.200000113.2I444 G445 R499 K503I444-G447 PolarHBondContact O-N 3.48Å; G445-G447 PolarHBondContact O-N 2.96Å; G445-G447 VanDerWaalsContact O-N 3.15Å; G447-R499 WeakPolarHBondContact CA-O 3.47Å; G447-K503 WeakPolarHBondContact O-CB 3.46Å; G447-K503 WeakPolarHBondContact O-CG 3.29Å
448R91.8Very high93.4Very high81 Ų8158 Ų5831%0.30632%0.315SS..SBendtrans-153.9120.3177-174.8168.659.7138.62.1110.6G445 L446 N450 A451 E455 L502G445-R448 CarbonylContact O-C 3.43Å; G445-R448 PolarHBondContact O-N 3.29Å; L446-R448 VanDerWaalsContact C-N 3.26Å; L446-R448 PolarHBondContact O-N 3.33Å; R448-N450 PolarHBondContact O-N 3.43Å; R448-A451 PolarHBondContact O-N 2.92Å; R448-E455 IonicContact CZ-OE1 3.94Å; R448-E455 IonicContact CZ-OE2 2.73Å; R448-E455 IonicContact NH1-OE1 3.74Å; R448-E455 IonicContact NH2-OE1 2.62Å; R448-E455 PolarHBondContact NH2-OE1 2.83Å; R448-E455 IonicContact NH2-OE2 3.64Å; R448-E455 PolarHBondContact NH2-OE2 2.79Å; R448-L502 HydrophobicContact CB-CG 4.35Å; R448-L502 PolarHBondContact NE-O 3.35Å
449A81.9Confident93.3Very high84 Ų8453.9 Ų53.969%0.69430%0.296SS*.THydrogen-bonded Turntrans-57.5132.9175.600000110.5
450N87.1Confident93.4Very high168 Ų16853.1 Ų53.190%0.89829%0.29SS*.THydrogen-bonded Turntrans69.822.9-179.4-44.3-39.3000116.1R448R448-N450 PolarHBondContact O-N 3.43Å
451A91.8Very high93.3Very high20 Ų2056.3 Ų56.317%0.16531%0.313CS..  trans-60139.9168.100000111.2R448 E455 I456 L502R448-A451 PolarHBondContact O-N 2.92Å; A451-E455 WeakPolarHBondContact CA-OE2 3.25Å; A451-E455 HydrophobicContact CB-CB 4.49Å; A451-I456 HydrophobicContact CB-CG1 4.24Å; A451-L502 HydrophobicContact CB-CD1 3.83Å; A451-L502 HydrophobicContact CB-CD2 3.79Å; A451-L502 HydrophobicContact CB-CG 4.05Å
452S94.4Very high93.1Very high52 Ų5257 Ų5736%0.36432%0.319SS..  trans-71.3163.1173.972.30000110.9D454 E455 I456S452-D454 VanDerWaalsContact C-N 3.26Å; S452-D454 PolarHBondContact O-N 2.91Å; S452-E455 PolarHBondContact N-OE2 2.95Å; S452-E455 PolarHBondContact O-N 3.41Å; S452-E455 WeakPolarHBondContact OG-CG 3.18Å; S452-E455 PolarHBondContact OG-N 3.12Å; S452-I456 WeakPolarHBondContact O-CG1 3.33Å; S452-I456 PolarHBondContact O-N 2.88Å; S452-I456 VanDerWaalsContact O-N 3.11Å
453E93.4Very high93Very high122 Ų12252.8 Ų52.857%0.5730%0.3SS*.Hα-helixtrans-60.4-39.9175.8-54.9-163.2-175.600111.5K441 E455 I456 V457K441-E453 IonicContact NZ-OE1 3.32Å; K441-E453 PolarHBondContact NZ-OE1 2.97Å; K441-E453 IonicContact NZ-OE2 2.96Å; K441-E453 PolarHBondContact NZ-OE2 2.94Å; E453-E455 VanDerWaalsContact C-N 3.33Å; E453-E455 PolarHBondContact O-N 2.73Å; E453-I456 WeakPolarHBondContact O-CB 3.3Å; E453-I456 PolarHBondContact O-N 3.32Å; E453-I456 VanDerWaalsContact O-N 3.14Å; E453-V457 WeakPolarHBondContact O-CG2 3.33Å; E453-V457 PolarHBondContact O-N 3Å
454D95.4Very high92.8Very high130 Ų13056.2 Ų56.270%0.69532%0.316SS*.Hα-helixtrans-60.6-42.1177.4-58.1-34.6000112S452 I456 V457 E458S452-D454 VanDerWaalsContact C-N 3.26Å; S452-D454 PolarHBondContact O-N 2.91Å; D454-I456 VanDerWaalsContact C-N 3.32Å; D454-I456 PolarHBondContact O-N 3.31Å; D454-V457 PolarHBondContact O-N 3.47Å; D454-E458 WeakPolarHBondContact O-CB 3.28Å; D454-E458 PolarHBondContact O-N 3.28Å
455E95.2Very high92.7Very high43 Ų4356.3 Ų56.320%0.20132%0.316CS..Hα-helixtrans-66.8-34.8177.1-69.5176.1140.300111.9R448 A451 S452 E453 A459 L502 R504R448-E455 IonicContact CZ-OE1 3.94Å; R448-E455 IonicContact CZ-OE2 2.73Å; R448-E455 IonicContact NH1-OE1 3.74Å; R448-E455 IonicContact NH2-OE1 2.62Å; R448-E455 PolarHBondContact NH2-OE1 2.83Å; R448-E455 IonicContact NH2-OE2 3.64Å; R448-E455 PolarHBondContact NH2-OE2 2.79Å; A451-E455 WeakPolarHBondContact CA-OE2 3.25Å; A451-E455 HydrophobicContact CB-CB 4.49Å; S452-E455 PolarHBondContact N-OE2 2.95Å; S452-E455 PolarHBondContact O-N 3.41Å; S452-E455 WeakPolarHBondContact OG-CG 3.18Å; S452-E455 PolarHBondContact OG-N 3.12Å; E453-E455 VanDerWaalsContact C-N 3.33Å; E453-E455 PolarHBondContact O-N 2.73Å; E455-A459 VanDerWaalsContact O-CB 3.32Å; E455-A459 WeakPolarHBondContact O-CB 3.27Å; E455-A459 PolarHBondContact O-N 2.92Å; E455-L502 HydrophobicContact CB-CD1 3.85Å; E455-L502 WeakPolarHBondContact O-CD1 3.39Å; E455-R504 IonicContact OE1-NH2 3.62Å
456I95.7Very high92.7Very high11 Ų1157.2 Ų57.26%0.05632%0.316CS..Hα-helixtrans-65.7-43.6174.3-68.9169.2000110.2K441 I444 A451 S452 E453 D454 A459 A460 Y476 L502K441-I456 HydrophobicContact CG-CD1 4.06Å; I444-I456 HydrophobicContact CB-CG2 4.04Å; I444-I456 HydrophobicContact CD1-CG2 4.47Å; I444-I456 HydrophobicContact CG2-CG2 3.85Å; A451-I456 HydrophobicContact CB-CG1 4.24Å; S452-I456 WeakPolarHBondContact O-CG1 3.33Å; S452-I456 PolarHBondContact O-N 2.88Å; S452-I456 VanDerWaalsContact O-N 3.11Å; E453-I456 WeakPolarHBondContact O-CB 3.3Å; E453-I456 PolarHBondContact O-N 3.32Å; E453-I456 VanDerWaalsContact O-N 3.14Å; D454-I456 VanDerWaalsContact C-N 3.32Å; D454-I456 PolarHBondContact O-N 3.31Å; I456-A459 PolarHBondContact O-N 3.23Å; I456-A460 WeakPolarHBondContact O-CB 3.33Å; I456-A460 PolarHBondContact O-N 2.89Å; I456-Y476 HydrophobicContact CG2-CD1 4.38Å; I456-Y476 HydrophobicContact CG2-CE1 4.2Å; I456-L502 HydrophobicContact CG1-CD2 4.12Å
457V96.2Very high92.7Very high49 Ų4960.4 Ų60.430%0.29733%0.328SS..Hα-helixtrans-65.6-43.7177.91740000111.1E453 D454 A459 A460 S461 Y476E453-V457 WeakPolarHBondContact O-CG2 3.33Å; E453-V457 PolarHBondContact O-N 3Å; D454-V457 PolarHBondContact O-N 3.47Å; V457-A459 PolarHBondContact O-N 3.4Å; V457-A460 PolarHBondContact O-N 3.09Å; V457-S461 WeakPolarHBondContact O-CB 3.43Å; V457-S461 PolarHBondContact O-N 3.29Å; V457-Y476 WeakPolarHBondContact CA-OH 3.47Å; V457-Y476 HydrophobicContact CG2-CE1 4.46Å; V457-Y476 HydrophobicContact CG2-CE2 3.84Å
458E94.6Very high92.9Very high103 Ų10365.3 Ų65.348%0.48134%0.343SS..Hα-helixtrans-58.5-48.1175-173.5-170.4-17900110.9D454 A460 S461 I462D454-E458 WeakPolarHBondContact O-CB 3.28Å; D454-E458 PolarHBondContact O-N 3.28Å; E458-A460 VanDerWaalsContact C-N 3.32Å; E458-A460 PolarHBondContact O-N 3.5Å; E458-S461 WeakPolarHBondContact O-CB 3.4Å; E458-S461 PolarHBondContact O-N 3.37Å; E458-S461 VanDerWaalsContact O-N 3.17Å; E458-I462 HydrophobicContact CG-CD1 4.12Å; E458-I462 WeakPolarHBondContact O-CG1 3.46Å; E458-I462 PolarHBondContact O-N 3.41Å
459A94.3Very high93Very high2 Ų261.5 Ų61.52%0.01733%0.328CS..Hα-helixtrans-62.7-38.6178.100000112.5E455 I456 V457 S461 A463 V501 L502E455-A459 VanDerWaalsContact O-CB 3.32Å; E455-A459 WeakPolarHBondContact O-CB 3.27Å; E455-A459 PolarHBondContact O-N 2.92Å; I456-A459 PolarHBondContact O-N 3.23Å; V457-A459 PolarHBondContact O-N 3.4Å; A459-S461 VanDerWaalsContact C-N 3.35Å; A459-A463 WeakPolarHBondContact O-CB 3.41Å; A459-A463 PolarHBondContact O-N 2.98Å; A459-A463 VanDerWaalsContact O-N 3.11Å; A459-V501 HydrophobicContact CB-CB 4.28Å; A459-V501 HydrophobicContact CB-CG1 4.04Å; A459-L502 HydrophobicContact CB-CB 3.97Å; A459-L502 HydrophobicContact CB-CD1 4.11Å
460A95Very high93.6Very high0 Ų061.9 Ų61.90%032%0.318CS..Hα-helixtrans-67.6-34.1175.300000112.7I444 I456 V457 E458 E464 I465 H466 I469 Y476I444-A460 HydrophobicContact CD1-CB 4.04Å; I456-A460 WeakPolarHBondContact O-CB 3.33Å; I456-A460 PolarHBondContact O-N 2.89Å; V457-A460 PolarHBondContact O-N 3.09Å; E458-A460 VanDerWaalsContact C-N 3.32Å; E458-A460 PolarHBondContact O-N 3.5Å; A460-E464 PolarHBondContact O-N 3.48Å; A460-E464 VanDerWaalsContact O-N 3.15Å; A460-I465 HydrophobicContact CB-CG2 3.97Å; A460-I465 WeakPolarHBondContact O-CG2 3.44Å; A460-I465 PolarHBondContact O-N 2.92Å; A460-H466 HydrophobicContact CB-CB 4.46Å; A460-H466 PolarHBondContact O-N 3.48Å; A460-I469 HydrophobicContact CB-CD1 4.21Å; A460-Y476 HydrophobicContact CB-CE1 4.1Å; A460-Y476 VanDerWaalsContact CB-OH 3.31Å; A460-Y476 WeakPolarHBondContact CB-OH 3.21Å
461S93.8Very high93.9Very high69 Ų6957 Ų5748%0.48330%0.298SS..Hα-helixtrans-68.6-47175.5-175.50000111.3V457 E458 A459 A463 E464V457-S461 WeakPolarHBondContact O-CB 3.43Å; V457-S461 PolarHBondContact O-N 3.29Å; E458-S461 WeakPolarHBondContact O-CB 3.4Å; E458-S461 PolarHBondContact O-N 3.37Å; E458-S461 VanDerWaalsContact O-N 3.17Å; A459-S461 VanDerWaalsContact C-N 3.35Å; S461-A463 PolarHBondContact O-N 3.09Å; S461-E464 WeakPolarHBondContact O-CA 3.25Å; S461-E464 PolarHBondContact O-N 3.32Å
462I91.6Very high93.9Very high66 Ų6657 Ų5734%0.33829%0.294SS..Hα-helixtrans-60.5-35.9176.1-66.4166.7000111.5E458 E464 V501 V532E458-I462 HydrophobicContact CG-CD1 4.12Å; E458-I462 WeakPolarHBondContact O-CG1 3.46Å; E458-I462 PolarHBondContact O-N 3.41Å; I462-E464 VanDerWaalsContact C-N 3.26Å; I462-E464 PolarHBondContact O-N 2.69Å; I462-V501 HydrophobicContact CB-CG1 4.24Å; I462-V501 HydrophobicContact CD1-CG1 3.78Å; I462-V501 HydrophobicContact CG2-CG1 4.17Å; I462-V501 HydrophobicContact CG2-CG2 3.89Å; I462-V532 HydrophobicContact CG2-CG2 4.25Å
463A92.2Very high93.7Very high0 Ų061.1 Ų61.10%032%0.319CS..THydrogen-bonded Turntrans-81.7-0.3175.600000114.2A459 S461 I465 R494 I497 A498A459-A463 WeakPolarHBondContact O-CB 3.41Å; A459-A463 PolarHBondContact O-N 2.98Å; A459-A463 VanDerWaalsContact O-N 3.11Å; S461-A463 PolarHBondContact O-N 3.09Å; A463-I465 VanDerWaalsContact C-N 3.29Å; A463-I465 HydrophobicContact CB-CG2 4.39Å; A463-I465 PolarHBondContact O-N 3.38Å; A463-R494 WeakPolarHBondContact CB-O 3.38Å; A463-R494 WeakPolarHBondContact O-CD 3.27Å; A463-R494 WeakPolarHBondContact O-CG 3.45Å; A463-R494 PolarHBondContact O-NH1 2.88Å; A463-I497 HydrophobicContact CB-CB 4.09Å; A463-I497 HydrophobicContact CB-CG2 3.86Å; A463-A498 HydrophobicContact CB-CB 3.84Å
464E92.1Very high93.7Very high71 Ų7161 Ų6133%0.33232%0.319SS..THydrogen-bonded Turntrans53.439.1-178.9-25.9171139.300114.1A460 S461 I462 R494 S528 R531A460-E464 PolarHBondContact O-N 3.48Å; A460-E464 VanDerWaalsContact O-N 3.15Å; S461-E464 WeakPolarHBondContact O-CA 3.25Å; S461-E464 PolarHBondContact O-N 3.32Å; I462-E464 VanDerWaalsContact C-N 3.26Å; I462-E464 PolarHBondContact O-N 2.69Å; E464-R494 VanDerWaalsContact CB-NH1 3.33Å; E464-R494 IonicContact OE2-CZ 3.68Å; E464-R494 IonicContact OE2-NH1 2.89Å; E464-R494 PolarHBondContact OE2-NH1 3.36Å; E464-R494 IonicContact OE2-NH2 2.85Å; E464-R494 PolarHBondContact OE2-NH2 3.22Å; E464-S528 PolarHBondContact OE2-OG 3.39Å; E464-R531 IonicContact OE1-CZ 2.89Å; E464-R531 IonicContact OE1-NH1 3.59Å; E464-R531 PolarHBondContact OE1-NH1 2.92Å; E464-R531 IonicContact OE1-NH2 3.78Å; E464-R531 PolarHBondContact OE1-NH2 2.89Å
465I93Very high93.6Very high3 Ų355.5 Ų55.52%0.01529%0.292CS..  trans-109.4-8.8172.6-168.3159.3000112.4A460 A463 E467 R468 I469 E491 R494 V495A460-I465 HydrophobicContact CB-CG2 3.97Å; A460-I465 WeakPolarHBondContact O-CG2 3.44Å; A460-I465 PolarHBondContact O-N 2.92Å; A463-I465 VanDerWaalsContact C-N 3.29Å; A463-I465 HydrophobicContact CB-CG2 4.39Å; A463-I465 PolarHBondContact O-N 3.38Å; I465-E467 PolarHBondContact O-N 3.34Å; I465-R468 HydrophobicContact CG1-CB 4.38Å; I465-R468 WeakPolarHBondContact O-CB 3.44Å; I465-R468 PolarHBondContact O-N 3.03Å; I465-R468 VanDerWaalsContact O-N 3.17Å; I465-I469 HydrophobicContact CB-CD1 4.41Å; I465-I469 HydrophobicContact CG1-CD1 4.01Å; I465-I469 HydrophobicContact CG1-CG1 3.98Å; I465-I469 HydrophobicContact CG2-CD1 3.87Å; I465-I469 VanDerWaalsContact O-CG1 3.3Å; I465-I469 WeakPolarHBondContact O-CG1 3.3Å; I465-I469 PolarHBondContact O-N 3.49Å; I465-E491 HydrophobicContact CD1-CB 4.27Å; I465-E491 VanDerWaalsContact CD1-O 3.27Å; I465-E491 WeakPolarHBondContact CD1-O 3.32Å; I465-R494 HydrophobicContact CB-CB 3.92Å; I465-R494 HydrophobicContact CD1-CB 3.93Å; I465-R494 HydrophobicContact CG1-CB 4.43Å; I465-R494 HydrophobicContact CG2-CB 4.46Å; I465-V495 HydrophobicContact CD1-CG2 3.61Å
466H94.9Very high93.6Very high38 Ų3854.9 Ų54.918%0.17629%0.288CS..Hα-helixtrans-53.3-55.2-178-179.650000113.7A460 R468 I469 L470 Y476A460-H466 HydrophobicContact CB-CB 4.46Å; A460-H466 PolarHBondContact O-N 3.48Å; H466-R468 PolarHBondContact O-N 2.99Å; H466-I469 WeakPolarHBondContact O-CB 3.19Å; H466-I469 PolarHBondContact O-N 3.3Å; H466-L470 PolarHBondContact O-N 2.99Å; H466-Y476 AromaticContact CE1-CE2 3.98Å; H466-Y476 AromaticContact ND1-CE2 3.75Å; H466-Y476 AromaticContact ND1-CZ 3.69Å; H466-Y476 PolarHBondContact ND1-OH 2.99Å
467E93.2Very high93.6Very high144 Ų14459 Ų5967%0.67331%0.31SS*.Hα-helixtrans-58.9-37.7179.7-62.8-54.6138.700112.1I465 L470 S471I465-E467 PolarHBondContact O-N 3.34Å; E467-L470 PolarHBondContact O-N 2.95Å; E467-S471 PolarHBondContact O-N 2.88Å; E467-S471 VanDerWaalsContact O-N 3.13Å
468R92.6Very high93.5Very high116 Ų11657.2 Ų57.244%0.43830%0.3SS..Hα-helixtrans-67.4-40.8177.4-176.155.2175.3157.3-5.5111.6I465 H466 L470 S471 F472 E491I465-R468 HydrophobicContact CG1-CB 4.38Å; I465-R468 WeakPolarHBondContact O-CB 3.44Å; I465-R468 PolarHBondContact O-N 3.03Å; I465-R468 VanDerWaalsContact O-N 3.17Å; H466-R468 PolarHBondContact O-N 2.99Å; R468-L470 VanDerWaalsContact C-N 3.33Å; R468-S471 PolarHBondContact NH1-OG 3.43Å; R468-S471 WeakPolarHBondContact O-CB 3.31Å; R468-S471 PolarHBondContact O-N 3.39Å; R468-S471 PolarHBondContact O-OG 3.23Å; R468-F472 HydrophobicContact CG-CZ 4.08Å; R468-E491 HydrophobicContact CG-CG 4.31Å; R468-E491 IonicContact CZ-OE1 2.78Å; R468-E491 IonicContact NE-OE1 2.94Å; R468-E491 PolarHBondContact NE-OE1 3.11Å; R468-E491 IonicContact NH2-OE1 3.48Å; R468-E491 PolarHBondContact NH2-OE1 3.38Å
469I94.3Very high93.5Very high0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-61.7-44.5175.9-67.8164.1000110.1I440 I444 A460 I465 H466 S471 F472 G475 Y476I440-I469 HydrophobicContact CD1-CG1 4.2Å; I440-I469 HydrophobicContact CG2-CD1 3.7Å; I440-I469 HydrophobicContact CG2-CG1 4.03Å; I444-I469 HydrophobicContact CD1-CD1 4.06Å; A460-I469 HydrophobicContact CB-CD1 4.21Å; I465-I469 HydrophobicContact CB-CD1 4.41Å; I465-I469 HydrophobicContact CG1-CD1 4.01Å; I465-I469 HydrophobicContact CG1-CG1 3.98Å; I465-I469 HydrophobicContact CG2-CD1 3.87Å; I465-I469 VanDerWaalsContact O-CG1 3.3Å; I465-I469 WeakPolarHBondContact O-CG1 3.3Å; I465-I469 PolarHBondContact O-N 3.49Å; H466-I469 WeakPolarHBondContact O-CB 3.19Å; H466-I469 PolarHBondContact O-N 3.3Å; I469-S471 PolarHBondContact O-N 2.67Å; I469-F472 WeakPolarHBondContact O-CB 3.41Å; I469-F472 PolarHBondContact O-N 2.95Å; I469-G475 VanDerWaalsContact CG2-C 3.43Å; I469-G475 WeakPolarHBondContact CG2-O 3.31Å; I469-G475 WeakPolarHBondContact O-CA 3.46Å; I469-Y476 HydrophobicContact CD1-CD1 4.33Å; I469-Y476 HydrophobicContact CD1-CE1 3.8Å; I469-Y476 HydrophobicContact CG2-CD1 3.9Å; I469-Y476 HydrophobicContact CG2-CD2 3.88Å; I469-Y476 HydrophobicContact CG2-CE1 4.09Å; I469-Y476 HydrophobicContact CG2-CE2 4.08Å; I469-Y476 HydrophobicContact CG2-CG 3.79Å
470L94.4Very high93.4Very high92 Ų9256.5 Ų56.548%0.48230%0.297SS..Hα-helixtrans-63.6-23.9177.2-67.3-177.4000113.4H466 E467 R468 F472H466-L470 PolarHBondContact O-N 2.99Å; E467-L470 PolarHBondContact O-N 2.95Å; R468-L470 VanDerWaalsContact C-N 3.33Å; L470-F472 PolarHBondContact O-N 3.29Å
471S93.3Very high93.2Very high67 Ų6757 Ų5747%0.46930%0.303SS..THydrogen-bonded Turntrans-71.9-15.5173.980.80000113.9E467 R468 I469E467-S471 PolarHBondContact O-N 2.88Å; E467-S471 VanDerWaalsContact O-N 3.13Å; R468-S471 PolarHBondContact NH1-OG 3.43Å; R468-S471 WeakPolarHBondContact O-CB 3.31Å; R468-S471 PolarHBondContact O-N 3.39Å; R468-S471 PolarHBondContact O-OG 3.23Å; I469-S471 PolarHBondContact O-N 2.67Å
472F93.2Very high92.9Very high20 Ų2061.7 Ų61.79%0.08832%0.317CS..SBendtrans-80.7144.3176-57.9-39.9000111I440 R468 I469 L470 E474 G475 C478 L485 L487I440-F472 HydrophobicContact CD1-CD2 3.64Å; I440-F472 HydrophobicContact CD1-CE2 3.64Å; R468-F472 HydrophobicContact CG-CZ 4.08Å; I469-F472 WeakPolarHBondContact O-CB 3.41Å; I469-F472 PolarHBondContact O-N 2.95Å; L470-F472 PolarHBondContact O-N 3.29Å; F472-E474 PolarHBondContact O-N 3.42Å; F472-E474 VanDerWaalsContact O-N 3.09Å; F472-G475 PolarHBondContact O-N 3.39Å; F472-C478 HydrophobicContact CB-CB 4.25Å; F472-C478 HydrophobicContact CD2-CB 4.45Å; F472-L485 HydrophobicContact CD1-CD2 3.69Å; F472-L485 HydrophobicContact CD2-CD2 4.17Å; F472-L485 HydrophobicContact CE1-CD2 3.55Å; F472-L485 HydrophobicContact CE2-CD2 4.04Å; F472-L485 HydrophobicContact CG-CD2 4.01Å; F472-L485 HydrophobicContact CZ-CD2 3.73Å; F472-L487 HydrophobicContact CE2-CD2 3.77Å; F472-L487 HydrophobicContact CZ-CD2 3.63Å
473P89.5Confident92.3Very high138 Ų13869.7 Ų69.790%0.89634%0.343SS*.THydrogen-bonded Turntrans-54.9-33.3-177-27.434.4000115
474E92.7Very high91.8Very high120 Ų12071.1 Ų71.156%0.56136%0.358SS*.THydrogen-bonded Turntrans-102.75.8-178.9-64.317717000112.7F472 Y476 D477 C478F472-E474 PolarHBondContact O-N 3.42Å; F472-E474 VanDerWaalsContact O-N 3.09Å; E474-Y476 PolarHBondContact O-N 3.17Å; E474-D477 PolarHBondContact O-N 3.2Å; E474-C478 HydrophobicContact CB-CB 4.09Å; E474-C478 WeakPolarHBondContact OE2-CA 3.34Å
475G94Very high91.4Very high13 Ų1371.3 Ų71.313%0.13436%0.361CS..G310 helixtrans52.2-124.3-177.500000112.6I469 F472 D477 C478I469-G475 VanDerWaalsContact CG2-C 3.43Å; I469-G475 WeakPolarHBondContact CG2-O 3.31Å; I469-G475 WeakPolarHBondContact O-CA 3.46Å; F472-G475 PolarHBondContact O-N 3.39Å; G475-D477 VanDerWaalsContact C-N 3.3Å; G475-D477 PolarHBondContact O-N 3.29Å; G475-C478 WeakPolarHBondContact O-CB 3.29Å; G475-C478 PolarHBondContact O-N 3.45Å
476Y94.9Very high91.1Very high31 Ų3179.3 Ų79.312%0.12240%0.395CS..G310 helixtrans-68.2-24179.7-82.9-81.6000114.6I440 K441 I444 I456 V457 A460 H466 I469 E474 C478I440-Y476 PolarHBondContact N-O 2.97Å; K441-Y476 WeakPolarHBondContact CB-O 3.41Å; K441-Y476 PolarHBondContact N-O 3.47Å; I444-Y476 HydrophobicContact CD1-CE1 4.4Å; I456-Y476 HydrophobicContact CG2-CD1 4.38Å; I456-Y476 HydrophobicContact CG2-CE1 4.2Å; V457-Y476 WeakPolarHBondContact CA-OH 3.47Å; V457-Y476 HydrophobicContact CG2-CE1 4.46Å; V457-Y476 HydrophobicContact CG2-CE2 3.84Å; A460-Y476 HydrophobicContact CB-CE1 4.1Å; A460-Y476 VanDerWaalsContact CB-OH 3.31Å; A460-Y476 WeakPolarHBondContact CB-OH 3.21Å; H466-Y476 AromaticContact CE1-CE2 3.98Å; H466-Y476 AromaticContact ND1-CE2 3.75Å; H466-Y476 AromaticContact ND1-CZ 3.69Å; H466-Y476 PolarHBondContact ND1-OH 2.99Å; I469-Y476 HydrophobicContact CD1-CD1 4.33Å; I469-Y476 HydrophobicContact CD1-CE1 3.8Å; I469-Y476 HydrophobicContact CG2-CD1 3.9Å; I469-Y476 HydrophobicContact CG2-CD2 3.88Å; I469-Y476 HydrophobicContact CG2-CE1 4.09Å; I469-Y476 HydrophobicContact CG2-CE2 4.08Å; I469-Y476 HydrophobicContact CG2-CG 3.79Å; E474-Y476 PolarHBondContact O-N 3.17Å; Y476-C478 VanDerWaalsContact C-N 3.26Å
477D95.3Very high90.9Very high97 Ų9778 Ų7852%0.51939%0.389SS..G310 helixtrans-84-4.9179.8-67.8-41.8000112.6S439 E474 G475 M479S439-D477 WeakPolarHBondContact CB-O 3.44Å; E474-D477 PolarHBondContact O-N 3.2Å; G475-D477 VanDerWaalsContact C-N 3.3Å; G475-D477 PolarHBondContact O-N 3.29Å; D477-M479 PolarHBondContact O-N 2.96Å
478C93.8Very high90.7Very high11 Ų1174 Ų747%0.07438%0.378CS..  trans-52.9122.8176.6-173.90000111.8S439 I440 F472 E474 G475 Y476 V480S439-C478 CarbonylContact C-O 3.56Å; S439-C478 VanDerWaalsContact CA-O 3.29Å; S439-C478 WeakPolarHBondContact CA-O 3.41Å; I440-C478 HydrophobicContact CD1-CB 4.11Å; I440-C478 PolarHBondContact N-O 3.4Å; F472-C478 HydrophobicContact CB-CB 4.25Å; F472-C478 HydrophobicContact CD2-CB 4.45Å; E474-C478 HydrophobicContact CB-CB 4.09Å; E474-C478 WeakPolarHBondContact OE2-CA 3.34Å; G475-C478 WeakPolarHBondContact O-CB 3.29Å; G475-C478 PolarHBondContact O-N 3.45Å; Y476-C478 VanDerWaalsContact C-N 3.26Å; C478-V480 PolarHBondContact O-N 3.34Å
479M94.7Very high90.5Very high88 Ų8870.4 Ų70.443%0.43338%0.377SS..EExtended strand (participates in β ladder)trans-74121.8180-64.1-64.3-7200111.1D477 G484 L485D477-M479 PolarHBondContact O-N 2.96Å; M479-G484 WeakPolarHBondContact O-CA 3.39Å; M479-L485 PolarHBondContact O-N 3.02Å
480V93.6Very high90.3Very high2 Ų270.7 Ų70.71%0.01238%0.38CS..EExtended strand (participates in β ladder)trans-116.8167.2177.6-66.50000111.2L435 F436 N437 Q438 I440 N443 C478 L485 L487L435-V480 HydrophobicContact CB-CG2 4.38Å; L435-V480 HydrophobicContact CD1-CB 4.06Å; L435-V480 HydrophobicContact CD1-CG2 4.08Å; F436-V480 VanDerWaalsContact O-O 3.05Å; N437-V480 VanDerWaalsContact CA-O 3.25Å; N437-V480 WeakPolarHBondContact CA-O 3.13Å; Q438-V480 PolarHBondContact N-O 2.91Å; Q438-V480 VanDerWaalsContact O-CG2 3.31Å; Q438-V480 WeakPolarHBondContact O-CG2 3.49Å; Q438-V480 PolarHBondContact O-N 3.48Å; I440-V480 HydrophobicContact CD1-CG1 3.95Å; I440-V480 HydrophobicContact CG1-CB 4.45Å; I440-V480 HydrophobicContact CG1-CG1 3.48Å; I440-V480 VanDerWaalsContact CG1-CG1 3.48Å; I440-V480 HydrophobicContact CG1-CG2 4.11Å; N443-V480 WeakPolarHBondContact ND2-CG2 3.23Å; C478-V480 PolarHBondContact O-N 3.34Å; V480-L485 HydrophobicContact CG1-CB 4.45Å; V480-L487 HydrophobicContact CG1-CD1 4.22Å; V480-L487 HydrophobicContact CG1-CD2 4.27Å; V480-L487 HydrophobicContact CG1-CG 4.03Å
481G90.5Very high90.1Very high12 Ų1267.7 Ų67.712%0.12436%0.363CS..SBendtrans129.6-159.3177.600000112.3N437 R483N437-G481 WeakPolarHBondContact OD1-CA 3.43Å; G481-R483 VanDerWaalsContact C-N 3.32Å
482E86.4Confident90.1Very high167 Ų16768.2 Ų68.278%0.7836%0.357SS*.SBendtrans-68-33.5177.6-67.6-178.2167.400112.6N437N437-E482 PolarHBondContact OD1-N 3.49Å
483R79.2Confident90Very high234 Ų23467.4 Ų67.488%0.88335%0.353SS*.SBendtrans-105.12.2-178.4-62.2-177.3-178.9169.7-0.4113.8N437 G481N437-R483 PolarHBondContact OD1-N 2.85Å; G481-R483 VanDerWaalsContact C-N 3.32Å
484G81.3Confident90.2Very high29 Ų2962.2 Ų62.230%0.29932%0.316SS..SBendtrans-111.2-161.2-179.700000112.5M479 K486M479-G484 WeakPolarHBondContact O-CA 3.39Å; G484-K486 PolarHBondContact O-N 3.21Å
485L84.5Confident90.3Very high76 Ų7656.6 Ų56.640%0.39829%0.29SS..BIsolated β-bridgetrans-59.9131171.3-174.175.3000109.9F472 M479 V480 L487F472-L485 HydrophobicContact CD1-CD2 3.69Å; F472-L485 HydrophobicContact CD2-CD2 4.17Å; F472-L485 HydrophobicContact CE1-CD2 3.55Å; F472-L485 HydrophobicContact CE2-CD2 4.04Å; F472-L485 HydrophobicContact CG-CD2 4.01Å; F472-L485 HydrophobicContact CZ-CD2 3.73Å; M479-L485 PolarHBondContact O-N 3.02Å; V480-L485 HydrophobicContact CG1-CB 4.45Å; L485-L487 HydrophobicContact CD2-CD2 4.27Å; L485-L487 PolarHBondContact O-N 3.43Å
486K87.7Confident90.3Very high171 Ų17156.1 Ų56.174%0.74329%0.285SS*.  trans-87107.2176.5-66.4-173.3179.4-178.70109.7G484G484-K486 PolarHBondContact O-N 3.21Å
487L89.7Confident90.2Very high9 Ų954.7 Ų54.75%0.04728%0.279CS..  trans-69.7146.4169.4-62.2-172.2000110.9L435 F472 V480 L485 E491 K492 V495L435-L487 HydrophobicContact CD1-CB 4.33Å; L435-L487 HydrophobicContact CD1-CD1 3.82Å; L435-L487 HydrophobicContact CD1-CG 4.14Å; F472-L487 HydrophobicContact CE2-CD2 3.77Å; F472-L487 HydrophobicContact CZ-CD2 3.63Å; V480-L487 HydrophobicContact CG1-CD1 4.22Å; V480-L487 HydrophobicContact CG1-CD2 4.27Å; V480-L487 HydrophobicContact CG1-CG 4.03Å; L485-L487 HydrophobicContact CD2-CD2 4.27Å; L485-L487 PolarHBondContact O-N 3.43Å; L487-E491 VanDerWaalsContact CA-OE2 3.32Å; L487-E491 WeakPolarHBondContact CA-OE2 3.3Å; L487-E491 HydrophobicContact CB-CB 3.91Å; L487-E491 HydrophobicContact CD1-CB 4.46Å; L487-K492 HydrophobicContact CB-CG 3.86Å; L487-K492 VanDerWaalsContact O-CE 3.3Å; L487-K492 WeakPolarHBondContact O-CE 3.37Å; L487-V495 HydrophobicContact CD1-CG2 3.92Å
488S89.6Confident90.2Very high62 Ų6250 Ų5043%0.43425%0.254SS..  trans-64.3163.5172.480.30000111.5G490 E491 K492S488-G490 VanDerWaalsContact C-N 3.29Å; S488-G490 PolarHBondContact O-N 3.45Å; S488-E491 PolarHBondContact N-OE2 2.83Å; S488-E491 PolarHBondContact O-N 3.18Å; S488-E491 VanDerWaalsContact OG-CG 3.24Å; S488-E491 WeakPolarHBondContact OG-CG 3.22Å; S488-E491 PolarHBondContact OG-N 3.39Å; S488-E491 PolarHBondContact OG-OE2 3.03Å; S488-K492 WeakPolarHBondContact O-CG 3.27Å; S488-K492 PolarHBondContact O-N 3.38Å
489G88.2Confident90.3Very high40 Ų4051.6 Ų51.641%0.41226%0.258SS..Hα-helixtrans-55.4-4417800000112.7K492 Q493G489-K492 PolarHBondContact O-N 3.45Å; G489-Q493 PolarHBondContact O-N 2.86Å; G489-Q493 VanDerWaalsContact O-N 3.11Å
490G88.8Confident90.2Very high6 Ų647.5 Ų47.56%0.06224%0.238CC..Hα-helixtrans-66-42.3176.900000113.3S488 Q493 R494 L517 I525S488-G490 VanDerWaalsContact C-N 3.29Å; S488-G490 PolarHBondContact O-N 3.45Å; G490-Q493 WeakPolarHBondContact O-CB 3.3Å; G490-Q493 PolarHBondContact O-N 3.32Å; G490-R494 WeakPolarHBondContact O-CG 3.31Å; G490-R494 PolarHBondContact O-N 2.85Å; G490-L517 VanDerWaalsContact N-CD2 3.33Å; G490-I525 WeakPolarHBondContact O-CD1 3.27Å
491E91.8Very high90.2Very high28 Ų2848.3 Ų48.313%0.13124%0.244CC..Hα-helixtrans-62.9-45176.9-72.1166.117400111.5I465 R468 L487 S488 Q493 R494 V495I465-E491 HydrophobicContact CD1-CB 4.27Å; I465-E491 VanDerWaalsContact CD1-O 3.27Å; I465-E491 WeakPolarHBondContact CD1-O 3.32Å; R468-E491 HydrophobicContact CG-CG 4.31Å; R468-E491 IonicContact CZ-OE1 2.78Å; R468-E491 IonicContact NE-OE1 2.94Å; R468-E491 PolarHBondContact NE-OE1 3.11Å; R468-E491 IonicContact NH2-OE1 3.48Å; R468-E491 PolarHBondContact NH2-OE1 3.38Å; L487-E491 VanDerWaalsContact CA-OE2 3.32Å; L487-E491 WeakPolarHBondContact CA-OE2 3.3Å; L487-E491 HydrophobicContact CB-CB 3.91Å; L487-E491 HydrophobicContact CD1-CB 4.46Å; S488-E491 PolarHBondContact N-OE2 2.83Å; S488-E491 PolarHBondContact O-N 3.18Å; S488-E491 VanDerWaalsContact OG-CG 3.24Å; S488-E491 WeakPolarHBondContact OG-CG 3.22Å; S488-E491 PolarHBondContact OG-N 3.39Å; S488-E491 PolarHBondContact OG-OE2 3.03Å; E491-Q493 PolarHBondContact O-N 2.99Å; E491-R494 PolarHBondContact O-N 3.05Å; E491-V495 WeakPolarHBondContact O-CG2 3.1Å; E491-V495 PolarHBondContact O-N 3.43Å
492K92.5Very high90.4Very high78 Ų7848 Ų4834%0.33924%0.239SC..Hα-helixtrans-55.5-42.7173.7-72.9-179.6179.5-179.70111.2T433 L435 L487 S488 G489 V495 A496T433-K492 VanDerWaalsContact CG2-O 3.31Å; T433-K492 WeakPolarHBondContact CG2-O 3.27Å; L435-K492 HydrophobicContact CD1-CG 4.05Å; L435-K492 HydrophobicContact CG-CG 4.49Å; L487-K492 HydrophobicContact CB-CG 3.86Å; L487-K492 VanDerWaalsContact O-CE 3.3Å; L487-K492 WeakPolarHBondContact O-CE 3.37Å; S488-K492 WeakPolarHBondContact O-CG 3.27Å; S488-K492 PolarHBondContact O-N 3.38Å; G489-K492 PolarHBondContact O-N 3.45Å; K492-V495 WeakPolarHBondContact O-CB 3.01Å; K492-V495 PolarHBondContact O-N 3.35Å; K492-A496 PolarHBondContact O-N 2.79Å; K492-A496 VanDerWaalsContact O-N 3.12Å
493Q91.3Very high90.7Very high4 Ų442.9 Ų42.92%0.01921%0.214CC..Hα-helixtrans-67.9-39.9-179.8-155.365.1-0.900112.4P430 T433 G489 G490 E491 V495 A496 I497 A513 I525P430-Q493 PolarHBondContact O-NE2 2.91Å; T433-Q493 PolarHBondContact OG1-OE1 3.38Å; G489-Q493 PolarHBondContact O-N 2.86Å; G489-Q493 VanDerWaalsContact O-N 3.11Å; G490-Q493 WeakPolarHBondContact O-CB 3.3Å; G490-Q493 PolarHBondContact O-N 3.32Å; E491-Q493 PolarHBondContact O-N 2.99Å; Q493-V495 VanDerWaalsContact C-N 3.29Å; Q493-V495 PolarHBondContact O-N 2.91Å; Q493-A496 WeakPolarHBondContact O-CB 3.38Å; Q493-A496 PolarHBondContact O-N 2.87Å; Q493-I497 WeakPolarHBondContact O-CG1 3.44Å; Q493-I497 PolarHBondContact O-N 3.38Å; Q493-A513 WeakPolarHBondContact CG-O 3.26Å; Q493-A513 VanDerWaalsContact NE2-CA 3.33Å; Q493-A513 PolarHBondContact NE2-O 3Å; Q493-I525 HydrophobicContact CB-CD1 4.04Å; Q493-I525 HydrophobicContact CG-CG2 4.36Å
494R93.1Very high91.2Very high29 Ų2938.7 Ų38.711%0.10920%0.198CC..Hα-helixtrans-62.2-34.5171.8-68-178.4179.6-80.311.9112.3A463 E464 I465 G490 E491 I497 A498 I525 S528A463-R494 WeakPolarHBondContact CB-O 3.38Å; A463-R494 WeakPolarHBondContact O-CD 3.27Å; A463-R494 WeakPolarHBondContact O-CG 3.45Å; A463-R494 PolarHBondContact O-NH1 2.88Å; E464-R494 VanDerWaalsContact CB-NH1 3.33Å; E464-R494 IonicContact OE2-CZ 3.68Å; E464-R494 IonicContact OE2-NH1 2.89Å; E464-R494 PolarHBondContact OE2-NH1 3.36Å; E464-R494 IonicContact OE2-NH2 2.85Å; E464-R494 PolarHBondContact OE2-NH2 3.22Å; I465-R494 HydrophobicContact CB-CB 3.92Å; I465-R494 HydrophobicContact CD1-CB 3.93Å; I465-R494 HydrophobicContact CG1-CB 4.43Å; I465-R494 HydrophobicContact CG2-CB 4.46Å; G490-R494 WeakPolarHBondContact O-CG 3.31Å; G490-R494 PolarHBondContact O-N 2.85Å; E491-R494 PolarHBondContact O-N 3.05Å; R494-I497 PolarHBondContact O-N 2.83Å; R494-A498 WeakPolarHBondContact O-CB 3.44Å; R494-A498 PolarHBondContact O-N 3.33Å; R494-I525 HydrophobicContact CG-CD1 4.17Å; R494-I525 HydrophobicContact CG-CG1 4.33Å; R494-S528 PolarHBondContact NH1-OG 2.82Å
495V94.5Very high91.7Very high2 Ų237.6 Ų37.61%0.01219%0.186CC..Hα-helixtrans-61.9-41.5170.3176.50000111.4L435 N443 I444 I465 L487 E491 K492 Q493 A498 R499L435-V495 HydrophobicContact CD2-CB 4.33Å; L435-V495 HydrophobicContact CD2-CG1 3.9Å; N443-V495 HydrophobicContact CB-CG1 4.35Å; I444-V495 HydrophobicContact CG1-CG1 4.14Å; I465-V495 HydrophobicContact CD1-CG2 3.61Å; L487-V495 HydrophobicContact CD1-CG2 3.92Å; E491-V495 WeakPolarHBondContact O-CG2 3.1Å; E491-V495 PolarHBondContact O-N 3.43Å; K492-V495 WeakPolarHBondContact O-CB 3.01Å; K492-V495 PolarHBondContact O-N 3.35Å; Q493-V495 VanDerWaalsContact C-N 3.29Å; Q493-V495 PolarHBondContact O-N 2.91Å; V495-A498 PolarHBondContact O-N 3.41Å; V495-R499 WeakPolarHBondContact O-CG 3.29Å; V495-R499 PolarHBondContact O-N 3.42Å
496A94.1Very high92.1Very high3 Ų335.8 Ų35.83%0.02518%0.18CC..Hα-helixtrans-64.7-37.9174.300000113.1V429 T433 K492 Q493 R499 A500V429-A496 HydrophobicContact CG1-CB 4.26Å; T433-A496 HydrophobicContact CG2-CB 3.74Å; T433-A496 WeakPolarHBondContact OG1-CB 3.4Å; K492-A496 PolarHBondContact O-N 2.79Å; K492-A496 VanDerWaalsContact O-N 3.12Å; Q493-A496 WeakPolarHBondContact O-CB 3.38Å; Q493-A496 PolarHBondContact O-N 2.87Å; A496-R499 WeakPolarHBondContact O-CB 3.19Å; A496-R499 PolarHBondContact O-N 3.4Å; A496-A500 PolarHBondContact O-N 2.82Å
497I93.7Very high92.5Very high0 Ų027.6 Ų27.60%014%0.144CC..Hα-helixtrans-63.1-45.2173.6-64.2171.5000110.1V429 A463 Q493 R494 R499 A500 V501 I525 L529 V532V429-I497 HydrophobicContact CG1-CG1 4.34Å; V429-I497 HydrophobicContact CG2-CG1 4.45Å; A463-I497 HydrophobicContact CB-CB 4.09Å; A463-I497 HydrophobicContact CB-CG2 3.86Å; Q493-I497 WeakPolarHBondContact O-CG1 3.44Å; Q493-I497 PolarHBondContact O-N 3.38Å; R494-I497 PolarHBondContact O-N 2.83Å; I497-R499 VanDerWaalsContact C-N 3.33Å; I497-R499 PolarHBondContact O-N 3.03Å; I497-A500 CarbonylContact O-C 3.59Å; I497-A500 WeakPolarHBondContact O-CA 3.48Å; I497-A500 WeakPolarHBondContact O-CB 3.38Å; I497-A500 PolarHBondContact O-N 3.12Å; I497-V501 HydrophobicContact CG2-CG2 4.34Å; I497-V501 WeakPolarHBondContact O-CG2 3.41Å; I497-V501 PolarHBondContact O-N 3.06Å; I497-I525 HydrophobicContact CD1-CG2 3.91Å; I497-L529 HydrophobicContact CD1-CD2 3.68Å; I497-L529 HydrophobicContact CD1-CG 3.93Å; I497-L529 HydrophobicContact CG1-CD2 3.75Å; I497-V532 HydrophobicContact CG2-CG2 3.83Å
498A95.1Very high92.7Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-58.9-42.6175.500000111.8I444 A463 R494 V495 A500 V501 L502I444-A498 HydrophobicContact CD1-CB 4.27Å; I444-A498 HydrophobicContact CG1-CB 4.17Å; I444-A498 HydrophobicContact CG2-CB 3.95Å; A463-A498 HydrophobicContact CB-CB 3.84Å; R494-A498 WeakPolarHBondContact O-CB 3.44Å; R494-A498 PolarHBondContact O-N 3.33Å; V495-A498 PolarHBondContact O-N 3.41Å; A498-A500 VanDerWaalsContact C-N 3.31Å; A498-A500 PolarHBondContact O-N 3.41Å; A498-V501 PolarHBondContact O-N 3.41Å; A498-L502 WeakPolarHBondContact O-CB 3.27Å; A498-L502 PolarHBondContact O-N 3.36Å
499R95.2Very high93Very high43 Ų4324.3 Ų24.316%0.16212%0.121CC..Hα-helixtrans-58.6-42.6172.8-69.8170.1-178.2167.2-1.2111.8N434 N443 G447 V495 A496 I497 K503N434-R499 PolarHBondContact O-NH1 3.41Å; N434-R499 PolarHBondContact O-NH2 2.98Å; N443-R499 WeakPolarHBondContact O-CG 3.27Å; N443-R499 PolarHBondContact O-NE 3.32Å; N443-R499 PolarHBondContact OD1-NH2 3.1Å; G447-R499 WeakPolarHBondContact CA-O 3.47Å; V495-R499 WeakPolarHBondContact O-CG 3.29Å; V495-R499 PolarHBondContact O-N 3.42Å; A496-R499 WeakPolarHBondContact O-CB 3.19Å; A496-R499 PolarHBondContact O-N 3.4Å; I497-R499 VanDerWaalsContact C-N 3.33Å; I497-R499 PolarHBondContact O-N 3.03Å; R499-K503 WeakPolarHBondContact O-CB 3.5Å; R499-K503 PolarHBondContact O-N 2.97Å
500A93.6Very high93.2Very high2 Ų222.8 Ų22.82%0.01710%0.104CC..Hα-helixtrans-67.6-39.4178.900000112.4A427 V429 A496 I497 A498 P505A427-A500 HydrophobicContact CB-CB 3.73Å; V429-A500 HydrophobicContact CG2-CB 4.02Å; A496-A500 PolarHBondContact O-N 2.82Å; I497-A500 CarbonylContact O-C 3.59Å; I497-A500 WeakPolarHBondContact O-CA 3.48Å; I497-A500 WeakPolarHBondContact O-CB 3.38Å; I497-A500 PolarHBondContact O-N 3.12Å; A498-A500 VanDerWaalsContact C-N 3.31Å; A498-A500 PolarHBondContact O-N 3.41Å; A500-P505 WeakPolarHBondContact O-CD 3.5Å
501V93.6Very high93.3Very high20 Ų2023.7 Ų23.712%0.12111%0.107CC..Hα-helixtrans-64.9-49.5175.5172.60000110.8A459 I462 I497 A498 K503 R504 V532A459-V501 HydrophobicContact CB-CB 4.28Å; A459-V501 HydrophobicContact CB-CG1 4.04Å; I462-V501 HydrophobicContact CB-CG1 4.24Å; I462-V501 HydrophobicContact CD1-CG1 3.78Å; I462-V501 HydrophobicContact CG2-CG1 4.17Å; I462-V501 HydrophobicContact CG2-CG2 3.89Å; I497-V501 HydrophobicContact CG2-CG2 4.34Å; I497-V501 WeakPolarHBondContact O-CG2 3.41Å; I497-V501 PolarHBondContact O-N 3.06Å; A498-V501 PolarHBondContact O-N 3.41Å; V501-K503 PolarHBondContact O-N 3.18Å; V501-R504 PolarHBondContact O-N 3.39Å; V501-V532 HydrophobicContact CG2-CB 4.39Å; V501-V532 HydrophobicContact CG2-CG1 3.97Å; V501-V532 HydrophobicContact CG2-CG2 3.45Å; V501-V532 VanDerWaalsContact CG2-CG2 3.45Å
502L94.5Very high93Very high5 Ų523.8 Ų23.83%0.02611%0.108CC..Hα-helixtrans-59.6-31.8-178.3-169.667.2000112.8I444 R448 A451 E455 I456 A459 A498 R504I444-L502 HydrophobicContact CG2-CD2 4.27Å; I444-L502 VanDerWaalsContact O-CD2 3.29Å; I444-L502 WeakPolarHBondContact O-CD2 3.33Å; R448-L502 HydrophobicContact CB-CG 4.35Å; R448-L502 PolarHBondContact NE-O 3.35Å; A451-L502 HydrophobicContact CB-CD1 3.83Å; A451-L502 HydrophobicContact CB-CD2 3.79Å; A451-L502 HydrophobicContact CB-CG 4.05Å; E455-L502 HydrophobicContact CB-CD1 3.85Å; E455-L502 WeakPolarHBondContact O-CD1 3.39Å; I456-L502 HydrophobicContact CG1-CD2 4.12Å; A459-L502 HydrophobicContact CB-CB 3.97Å; A459-L502 HydrophobicContact CB-CD1 4.11Å; A498-L502 WeakPolarHBondContact O-CB 3.27Å; A498-L502 PolarHBondContact O-N 3.36Å; L502-R504 VanDerWaalsContact C-N 3.26Å; L502-R504 PolarHBondContact O-N 2.96Å
503K93.1Very high92.3Very high60 Ų6020.4 Ų20.426%0.2619%0.094SC..THydrogen-bonded Turntrans-68.1-22.4177.6-169.3167.3-175.6176.70113.7R423 Q424 I426 A427 G447 R499 V501R423-K503 WeakPolarHBondContact O-CE 3.25Å; R423-K503 PolarHBondContact O-NZ 3.09Å; Q424-K503 WeakPolarHBondContact O-CE 3.22Å; I426-K503 VanDerWaalsContact O-CE 3.24Å; I426-K503 WeakPolarHBondContact O-CE 3.45Å; I426-K503 PolarHBondContact O-NZ 2.86Å; A427-K503 HydrophobicContact CB-CD 4.26Å; G447-K503 WeakPolarHBondContact O-CB 3.46Å; G447-K503 WeakPolarHBondContact O-CG 3.29Å; R499-K503 WeakPolarHBondContact O-CB 3.5Å; R499-K503 PolarHBondContact O-N 2.97Å; V501-K503 PolarHBondContact O-N 3.18Å
504R90.1Very high91.8Very high146 Ų14620.6 Ų20.655%0.55110%0.096SC*.  trans49.360-175.1-61.1-176.6178.8171.13113.1E455 V501 L502E455-R504 IonicContact OE1-NH2 3.62Å; V501-R504 PolarHBondContact O-N 3.39Å; L502-R504 VanDerWaalsContact C-N 3.26Å; L502-R504 PolarHBondContact O-N 2.96Å
505P91.3Very high91Very high5 Ų520.6 Ų20.63%0.03210%0.101CC..  trans-75.2152.7-173.934.4-40.9000112.8H425 A427 A500 I507 I508 K536H425-P505 WeakPolarHBondContact O-CA 3.29Å; H425-P505 WeakPolarHBondContact O-CB 3.25Å; A427-P505 HydrophobicContact CB-CB 3.65Å; A427-P505 HydrophobicContact CB-CG 3.5Å; A427-P505 VanDerWaalsContact CB-CG 3.5Å; A500-P505 WeakPolarHBondContact O-CD 3.5Å; P505-I507 WeakPolarHBondContact CB-O 3.47Å; P505-I508 HydrophobicContact CB-CG1 4.32Å; P505-I508 HydrophobicContact CG-CD1 3.89Å; P505-I508 HydrophobicContact CG-CG1 3.61Å; P505-K536 HydrophobicContact CG-CD 4.33Å; P505-K536 WeakPolarHBondContact O-CD 3.15Å
506S92.7Very high90.1Very high38 Ų3824.2 Ų24.227%0.26613%0.126SC..SBendtrans-83.8-27.3165.3-51.30000111.9H425 S537H425-S506 PolarHBondContact O-N 2.85Å; S506-S537 PolarHBondContact O-N 2.95Å
507I95.1Very high89.4Confident0 Ų024.6 Ų24.60%013%0.127CC..EExtended strand (participates in β ladder)trans-128133.4-178.2-60.9161.2000109.4I345 V350 L396 I409 H425 I426 A427 P505 S537I345-I507 HydrophobicContact CD1-CD1 4.3Å; V350-I507 HydrophobicContact CG2-CD1 3.6Å; V350-I507 HydrophobicContact CG2-CG1 4.03Å; V350-I507 HydrophobicContact CG2-CG2 4.34Å; L396-I507 HydrophobicContact CD2-CG2 4.38Å; I409-I507 HydrophobicContact CD1-CD1 3.74Å; I409-I507 HydrophobicContact CG1-CD1 4.14Å; I409-I507 HydrophobicContact CG2-CD1 3.78Å; H425-I507 PolarHBondContact O-N 3.02Å; I426-I507 WeakPolarHBondContact CA-O 3.05Å; I426-I507 HydrophobicContact CG1-CB 4.22Å; I426-I507 HydrophobicContact CG1-CD1 4.44Å; A427-I507 PolarHBondContact N-O 3.07Å; P505-I507 WeakPolarHBondContact CB-O 3.47Å; I507-S537 CarbonylContact C-O 3.49Å; I507-S537 VanDerWaalsContact CA-O 3.29Å; I507-S537 WeakPolarHBondContact CA-O 3.35Å
508I95.4Very high88.8Confident1 Ų128.8 Ų28.81%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-116.9135.3178.4-62.3-169.4000110.1P505 L510 V532 K536 S537 A538 L539P505-I508 HydrophobicContact CB-CG1 4.32Å; P505-I508 HydrophobicContact CG-CD1 3.89Å; P505-I508 HydrophobicContact CG-CG1 3.61Å; I508-L510 HydrophobicContact CG2-CD2 3.65Å; I508-L510 HydrophobicContact CG2-CG 4.13Å; I508-V532 HydrophobicContact CD1-CG1 3.67Å; I508-V532 VanDerWaalsContact CD1-O 3.3Å; I508-V532 WeakPolarHBondContact CD1-O 3.31Å; I508-K536 HydrophobicContact CD1-CD 3.5Å; I508-K536 VanDerWaalsContact CD1-CD 3.5Å; I508-K536 HydrophobicContact CG1-CB 4.5Å; I508-K536 HydrophobicContact CG1-CD 3.98Å; I508-S537 PolarHBondContact N-O 2.96Å; I508-A538 CarbonylContact O-C 3.58Å; I508-A538 WeakPolarHBondContact O-CA 3.29Å; I508-L539 PolarHBondContact O-N 2.9Å
509I95.2Very high87.9Confident0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-113.5122.7171.8-58.2177.8000108.2T393 L396 L397 I426 A427 V428 V429 L539T393-I509 HydrophobicContact CG2-CG2 3.4Å; T393-I509 VanDerWaalsContact CG2-CG2 3.4Å; L396-I509 HydrophobicContact CB-CD1 4.29Å; L396-I509 HydrophobicContact CD2-CD1 3.84Å; L396-I509 HydrophobicContact CD2-CG1 4.17Å; L396-I509 HydrophobicContact CG-CD1 4.21Å; L397-I509 HydrophobicContact CD1-CD1 4.38Å; L397-I509 HydrophobicContact CD2-CD1 4.24Å; L397-I509 HydrophobicContact CG-CD1 3.97Å; I426-I509 HydrophobicContact CG2-CD1 3.62Å; I426-I509 HydrophobicContact CG2-CG1 3.89Å; A427-I509 PolarHBondContact O-N 3.47Å; V428-I509 CarbonylContact C-O 3.56Å; V428-I509 WeakPolarHBondContact CA-O 3.31Å; V428-I509 HydrophobicContact CG1-CB 4.44Å; V428-I509 HydrophobicContact CG1-CG2 4.44Å; V428-I509 HydrophobicContact CG2-CB 4.34Å; V428-I509 HydrophobicContact CG2-CD1 4.41Å; V429-I509 PolarHBondContact N-O 3.19Å; I509-L539 WeakPolarHBondContact CA-O 2.98Å
510L93.3Very high87.2Confident8 Ų839 Ų394%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-109.2112.8171.3-54.1-174.4000107.9V429 I508 L529 L539 V540 V541V429-L510 HydrophobicContact CB-CD2 3.7Å; V429-L510 HydrophobicContact CG2-CD2 3.66Å; I508-L510 HydrophobicContact CG2-CD2 3.65Å; I508-L510 HydrophobicContact CG2-CG 4.13Å; L510-L529 HydrophobicContact CD1-CB 4.22Å; L510-L529 HydrophobicContact CD1-CD1 4.37Å; L510-L529 HydrophobicContact CD1-CD2 4.2Å; L510-L529 HydrophobicContact CD2-CD2 3.72Å; L510-L539 PolarHBondContact N-O 3.45Å; L510-V540 HydrophobicContact CB-CB 4.48Å; L510-V540 HydrophobicContact CB-CG1 4.19Å; L510-V540 HydrophobicContact CB-CG2 4.27Å; L510-V540 HydrophobicContact CD1-CG1 4.46Å; L510-V540 HydrophobicContact CD1-CG2 3.92Å; L510-V540 HydrophobicContact CG-CG2 4.24Å; L510-V541 PolarHBondContact O-N 3.41Å
511D91.1Very high86.6Confident25 Ų2540.8 Ų40.813%0.13422%0.22CC..EExtended strand (participates in β ladder)trans-11094.4-176.8-165.417.7000110V429 P430 Q431 A513V429-D511 PolarHBondContact O-N 2.89Å; P430-D511 CarbonylContact C-O 3.52Å; Q431-D511 VanDerWaalsContact CA-O 3.24Å; Q431-D511 WeakPolarHBondContact CA-O 3.38Å; Q431-D511 WeakPolarHBondContact CB-O 3.36Å; Q431-D511 PolarHBondContact N-O 2.71Å; D511-A513 PolarHBondContact O-N 3.46Å; D511-A513 VanDerWaalsContact O-N 3.09Å
512E85.1Confident86.1Confident30 Ų3040.9 Ų40.914%0.1422%0.219CC..SBendtrans50.136.2-179.6-59.8-169.2-176.600114.7Q431 T514 S515 V541Q431-E512 HydrophobicContact CB-CB 4.2Å; Q431-E512 HydrophobicContact CG-CB 4.11Å; Q431-E512 PolarHBondContact NE2-OE2 3.2Å; E512-T514 PolarHBondContact O-N 3Å; E512-S515 PolarHBondContact O-N 3.36Å; E512-S515 VanDerWaalsContact O-N 3.1Å; E512-S515 PolarHBondContact O-OG 2.91Å; E512-V541 WeakPolarHBondContact CA-O 3.42Å; E512-V541 HydrophobicContact CG-CG1 4.24Å; E512-V541 PolarHBondContact N-O 3.38Å
513A77Confident85.5Confident7 Ų743.6 Ų43.66%0.05824%0.243CC..THydrogen-bonded Turntrans-59.7-12.4-16700000116.3V429 Q493 D511 L529V429-A513 HydrophobicContact CB-CB 4.5Å; V429-A513 HydrophobicContact CG1-CB 3.85Å; Q493-A513 WeakPolarHBondContact CG-O 3.26Å; Q493-A513 VanDerWaalsContact NE2-CA 3.33Å; Q493-A513 PolarHBondContact NE2-O 3Å; D511-A513 PolarHBondContact O-N 3.46Å; D511-A513 VanDerWaalsContact O-N 3.09Å; A513-L529 HydrophobicContact CB-CD1 4.02Å
514T80.6Confident85.1Confident8 Ų845 Ų455%0.04925%0.253CS..THydrogen-bonded Turntrans-119.41.1-17965.50000114.3E512 S516 L517 E522 I525 L529E512-T514 PolarHBondContact O-N 3Å; T514-S516 VanDerWaalsContact C-N 3.28Å; T514-S516 PolarHBondContact O-N 3.27Å; T514-L517 PolarHBondContact O-N 2.92Å; T514-E522 WeakPolarHBondContact CB-OE1 3.5Å; T514-E522 HydrophobicContact CG2-CG 4.12Å; T514-E522 PolarHBondContact OG1-OE1 3.44Å; T514-I525 HydrophobicContact CG2-CG2 4.39Å; T514-L529 HydrophobicContact CG2-CD1 4.22Å
515S76.9Confident84.9Confident30 Ų3038 Ų3821%0.2123%0.226CC..THydrogen-bonded Turntrans-61.7-32-169.255.30000114.4Q431 E512 R544Q431-S515 WeakPolarHBondContact CG-OG 3.42Å; Q431-S515 PolarHBondContact NE2-OG 3.24Å; E512-S515 PolarHBondContact O-N 3.36Å; E512-S515 VanDerWaalsContact O-N 3.1Å; E512-S515 PolarHBondContact O-OG 2.91Å; S515-R544 PolarHBondContact O-NH2 3.23Å
516S75.2Confident84.6Confident78 Ų7839.2 Ų39.255%0.54523%0.232SC..THydrogen-bonded Turntrans-92.33.6-176.5570000114.8T514T514-S516 VanDerWaalsContact C-N 3.28Å; T514-S516 PolarHBondContact O-N 3.27Å
517L79.5Confident84.3Confident11 Ų1142.3 Ų42.36%0.05824%0.242CC..SBendtrans-100.8152-173.3-56.3174.7000112.7G490 T514 T521 E522 I525 R544G490-L517 VanDerWaalsContact N-CD2 3.33Å; T514-L517 PolarHBondContact O-N 2.92Å; L517-T521 HydrophobicContact CD1-CG2 4.33Å; L517-T521 HydrophobicContact CD2-CG2 4.22Å; L517-E522 HydrophobicContact CB-CB 4.42Å; L517-I525 HydrophobicContact CD1-CB 4.3Å; L517-I525 HydrophobicContact CD1-CD1 3.64Å; L517-I525 HydrophobicContact CD1-CG1 4.42Å; L517-I525 HydrophobicContact CD1-CG2 4.32Å; L517-R544 PolarHBondContact O-NH1 3.38Å; L517-R544 PolarHBondContact O-NH2 2.87Å; L517-R544 VanDerWaalsContact O-NH2 3.08Å
518D80.9Confident83.8Confident88 Ų8842.3 Ų42.347%0.47124%0.242SC..  trans-66.2157.9165.468.988.7000111.1Q520 T521 E522D518-Q520 VanDerWaalsContact C-N 3.3Å; D518-Q520 PolarHBondContact O-N 3.45Å; D518-Q520 PolarHBondContact OD1-N 2.98Å; D518-Q520 VanDerWaalsContact OD1-N 3.16Å; D518-T521 VanDerWaalsContact CG-OG1 3.25Å; D518-T521 PolarHBondContact O-N 3.29Å; D518-T521 PolarHBondContact OD1-N 2.93Å; D518-T521 PolarHBondContact OD1-OG1 3.38Å; D518-T521 VanDerWaalsContact OD1-OG1 3.14Å; D518-T521 WeakPolarHBondContact OD2-CB 3.31Å; D518-T521 PolarHBondContact OD2-OG1 3.14Å; D518-E522 WeakPolarHBondContact O-CB 3.48Å; D518-E522 PolarHBondContact O-N 3.27Å
519S77.2Confident83.5Confident94 Ų9442.3 Ų42.366%0.65724%0.242SC*.Hα-helixtrans-62.3-33-171.5-48.70000114.1A523S519-A523 PolarHBondContact O-N 3Å
520Q79.3Confident83Confident164 Ų16445.4 Ų45.477%0.76626%0.258SS*.Hα-helixtrans-74.2-47.4-179.2-68.1-176.8-2.700110.4D518 E522 A523 L524D518-Q520 VanDerWaalsContact C-N 3.3Å; D518-Q520 PolarHBondContact O-N 3.45Å; D518-Q520 PolarHBondContact OD1-N 2.98Å; D518-Q520 VanDerWaalsContact OD1-N 3.16Å; Q520-E522 VanDerWaalsContact C-N 3.29Å; Q520-E522 PolarHBondContact O-N 3.15Å; Q520-A523 PolarHBondContact O-N 2.93Å; Q520-L524 PolarHBondContact O-N 3.17Å
521T82Confident82.7Confident38 Ų3849.1 Ų49.123%0.23327%0.272CS..Hα-helixtrans-62.4-37.3175.5-57.50000111.7L517 D518 A523 L524 I525L517-T521 HydrophobicContact CD1-CG2 4.33Å; L517-T521 HydrophobicContact CD2-CG2 4.22Å; D518-T521 VanDerWaalsContact CG-OG1 3.25Å; D518-T521 PolarHBondContact O-N 3.29Å; D518-T521 PolarHBondContact OD1-N 2.93Å; D518-T521 PolarHBondContact OD1-OG1 3.38Å; D518-T521 VanDerWaalsContact OD1-OG1 3.14Å; D518-T521 WeakPolarHBondContact OD2-CB 3.31Å; D518-T521 PolarHBondContact OD2-OG1 3.14Å; T521-A523 PolarHBondContact O-N 3.36Å; T521-L524 PolarHBondContact O-N 2.83Å; T521-I525 HydrophobicContact CG2-CD1 3.8Å; T521-I525 HydrophobicContact CG2-CG1 4.28Å; T521-I525 WeakPolarHBondContact O-CB 3.4Å; T521-I525 WeakPolarHBondContact O-CG1 3.23Å; T521-I525 PolarHBondContact O-N 3.03Å
522E82.6Confident82.5Confident22 Ų2248.3 Ų48.310%0.10327%0.268CS..Hα-helixtrans-57.6-48.1175.4171.4170.5-134.900112.1T514 L517 D518 Q520 L524 I525 Q526 R544 T547T514-E522 WeakPolarHBondContact CB-OE1 3.5Å; T514-E522 HydrophobicContact CG2-CG 4.12Å; T514-E522 PolarHBondContact OG1-OE1 3.44Å; L517-E522 HydrophobicContact CB-CB 4.42Å; D518-E522 WeakPolarHBondContact O-CB 3.48Å; D518-E522 PolarHBondContact O-N 3.27Å; Q520-E522 VanDerWaalsContact C-N 3.29Å; Q520-E522 PolarHBondContact O-N 3.15Å; E522-L524 PolarHBondContact O-N 3.29Å; E522-I525 PolarHBondContact O-N 2.97Å; E522-Q526 WeakPolarHBondContact O-CB 3.23Å; E522-Q526 PolarHBondContact O-N 3.15Å; E522-R544 VanDerWaalsContact CD-NH1 3.28Å; E522-R544 WeakPolarHBondContact OE1-CD 3.46Å; E522-R544 IonicContact OE1-NE 3.36Å; E522-R544 IonicContact OE1-NH1 2.68Å; E522-R544 IonicContact OE2-CZ 3.17Å; E522-R544 IonicContact OE2-NH1 3.84Å; E522-R544 PolarHBondContact OE2-NH1 3.48Å; E522-T547 WeakPolarHBondContact OE1-CG2 3.41Å
523A82.2Confident82.6Confident63 Ų6347.4 Ų47.452%0.52127%0.265SS..Hα-helixtrans-60.6-44.7-177.500000112S519 Q520 T521 Q526 E527S519-A523 PolarHBondContact O-N 3Å; Q520-A523 PolarHBondContact O-N 2.93Å; T521-A523 PolarHBondContact O-N 3.36Å; A523-Q526 PolarHBondContact O-N 3.4Å; A523-E527 PolarHBondContact O-N 3.03Å; A523-E527 VanDerWaalsContact O-N 3.14Å
524L84.3Confident83.1Confident89 Ų8953.8 Ų53.847%0.46629%0.293SS..Hα-helixtrans-64.5-41.5177.9-65.6172.3000112.1Q520 T521 E522 E527 S528Q520-L524 PolarHBondContact O-N 3.17Å; T521-L524 PolarHBondContact O-N 2.83Å; E522-L524 PolarHBondContact O-N 3.29Å; L524-E527 PolarHBondContact O-N 3Å; L524-S528 PolarHBondContact O-N 3.1Å; L524-S528 PolarHBondContact O-OG 2.8Å
525I86.6Confident83.4Confident0 Ų057.1 Ų57.10%033%0.329CS..Hα-helixtrans-70.5-36.5178.6-70.7-170.7000111.2G490 Q493 R494 I497 T514 L517 T521 E522 E527 S528 L529G490-I525 WeakPolarHBondContact O-CD1 3.27Å; Q493-I525 HydrophobicContact CB-CD1 4.04Å; Q493-I525 HydrophobicContact CG-CG2 4.36Å; R494-I525 HydrophobicContact CG-CD1 4.17Å; R494-I525 HydrophobicContact CG-CG1 4.33Å; I497-I525 HydrophobicContact CD1-CG2 3.91Å; T514-I525 HydrophobicContact CG2-CG2 4.39Å; L517-I525 HydrophobicContact CD1-CB 4.3Å; L517-I525 HydrophobicContact CD1-CD1 3.64Å; L517-I525 HydrophobicContact CD1-CG1 4.42Å; L517-I525 HydrophobicContact CD1-CG2 4.32Å; T521-I525 HydrophobicContact CG2-CD1 3.8Å; T521-I525 HydrophobicContact CG2-CG1 4.28Å; T521-I525 WeakPolarHBondContact O-CB 3.4Å; T521-I525 WeakPolarHBondContact O-CG1 3.23Å; T521-I525 PolarHBondContact O-N 3.03Å; E522-I525 PolarHBondContact O-N 2.97Å; I525-E527 VanDerWaalsContact C-N 3.31Å; I525-E527 PolarHBondContact O-N 2.88Å; I525-S528 WeakPolarHBondContact O-CB 3.42Å; I525-S528 PolarHBondContact O-N 3.5Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 HydrophobicContact CG2-CG 4.26Å; I525-L529 WeakPolarHBondContact O-CB 3.26Å; I525-L529 VanDerWaalsContact O-CG 3.29Å; I525-L529 WeakPolarHBondContact O-CG 3.48Å; I525-L529 PolarHBondContact O-N 3.48Å
526Q85.1Confident84.1Confident30 Ų3058 Ų5814%0.1433%0.329CS..Hα-helixtrans-62.1-39.9175.8-172.562.541.200111.7E522 A523 L529 N530 T547E522-Q526 WeakPolarHBondContact O-CB 3.23Å; E522-Q526 PolarHBondContact O-N 3.15Å; A523-Q526 PolarHBondContact O-N 3.4Å; Q526-L529 PolarHBondContact O-N 2.99Å; Q526-N530 PolarHBondContact NE2-OD1 2.94Å; Q526-N530 VanDerWaalsContact NE2-OD1 3.09Å; Q526-N530 WeakPolarHBondContact O-CB 3.2Å; Q526-N530 PolarHBondContact O-N 2.86Å; Q526-N530 PolarHBondContact O-ND2 2.98Å; Q526-N530 PolarHBondContact O-OD1 3.47Å; Q526-T547 PolarHBondContact NE2-O 2.84Å
527E84.9Confident85Confident102 Ų10254.4 Ų54.448%0.47730%0.304SS..Hα-helixtrans-62.3-45175.6-161.9-164.9138.200111.5A523 L524 I525 L529 N530 R531A523-E527 PolarHBondContact O-N 3.03Å; A523-E527 VanDerWaalsContact O-N 3.14Å; L524-E527 PolarHBondContact O-N 3Å; I525-E527 VanDerWaalsContact C-N 3.31Å; I525-E527 PolarHBondContact O-N 2.88Å; E527-L529 PolarHBondContact O-N 2.93Å; E527-N530 PolarHBondContact O-N 2.68Å; E527-R531 VanDerWaalsContact CD-NH2 3.34Å; E527-R531 PolarHBondContact O-N 2.92Å; E527-R531 IonicContact OE1-CZ 2.64Å; E527-R531 IonicContact OE1-NE 2.67Å; E527-R531 PolarHBondContact OE1-NE 3.41Å; E527-R531 IonicContact OE1-NH2 2.93Å; E527-R531 PolarHBondContact OE1-NH2 3.49Å; E527-R531 IonicContact OE2-NH2 2.71Å
528S85.8Confident85.8Confident0 Ų053.9 Ų53.90%030%0.301CS..Hα-helixtrans-60.4-44175-64.90000111.7E464 R494 L524 I525 R531 V532E464-S528 PolarHBondContact OE2-OG 3.39Å; R494-S528 PolarHBondContact NH1-OG 2.82Å; L524-S528 PolarHBondContact O-N 3.1Å; L524-S528 PolarHBondContact O-OG 2.8Å; I525-S528 WeakPolarHBondContact O-CB 3.42Å; I525-S528 PolarHBondContact O-N 3.5Å; S528-R531 PolarHBondContact O-N 2.83Å; S528-V532 VanDerWaalsContact O-CG2 3.31Å; S528-V532 WeakPolarHBondContact O-CG2 3.13Å; S528-V532 PolarHBondContact O-N 3.08Å
529L87.9Confident86.4Confident2 Ų249.7 Ų49.71%0.0128%0.278CS..Hα-helixtrans-62.5-43.4176.8-73173.5000112.1V429 I497 L510 A513 T514 I525 Q526 E527 R531 V532 C533V429-L529 HydrophobicContact CG1-CD2 4.32Å; V429-L529 HydrophobicContact CG2-CD2 4.27Å; I497-L529 HydrophobicContact CD1-CD2 3.68Å; I497-L529 HydrophobicContact CD1-CG 3.93Å; I497-L529 HydrophobicContact CG1-CD2 3.75Å; L510-L529 HydrophobicContact CD1-CB 4.22Å; L510-L529 HydrophobicContact CD1-CD1 4.37Å; L510-L529 HydrophobicContact CD1-CD2 4.2Å; L510-L529 HydrophobicContact CD2-CD2 3.72Å; A513-L529 HydrophobicContact CB-CD1 4.02Å; T514-L529 HydrophobicContact CG2-CD1 4.22Å; I525-L529 HydrophobicContact CG2-CD1 4.03Å; I525-L529 HydrophobicContact CG2-CG 4.26Å; I525-L529 WeakPolarHBondContact O-CB 3.26Å; I525-L529 VanDerWaalsContact O-CG 3.29Å; I525-L529 WeakPolarHBondContact O-CG 3.48Å; I525-L529 PolarHBondContact O-N 3.48Å; Q526-L529 PolarHBondContact O-N 2.99Å; E527-L529 PolarHBondContact O-N 2.93Å; L529-R531 PolarHBondContact O-N 2.96Å; L529-V532 PolarHBondContact O-N 3.15Å; L529-C533 PolarHBondContact O-N 3.11Å; L529-C533 PolarHBondContact O-SG 3.28Å
530N86.2Confident87.2Confident64 Ų6446 Ų4634%0.34225%0.252SS..Hα-helixtrans-60-46.5176.8-70.1-18.5000110.7Q526 E527 V532 C533 Q534Q526-N530 PolarHBondContact NE2-OD1 2.94Å; Q526-N530 VanDerWaalsContact NE2-OD1 3.09Å; Q526-N530 WeakPolarHBondContact O-CB 3.2Å; Q526-N530 PolarHBondContact O-N 2.86Å; Q526-N530 PolarHBondContact O-ND2 2.98Å; Q526-N530 PolarHBondContact O-OD1 3.47Å; E527-N530 PolarHBondContact O-N 2.68Å; N530-V532 VanDerWaalsContact C-N 3.32Å; N530-V532 PolarHBondContact O-N 3.37Å; N530-C533 PolarHBondContact O-N 3.49Å; N530-Q534 WeakPolarHBondContact O-CG 3.33Å; N530-Q534 PolarHBondContact O-N 3.23Å; N530-Q534 VanDerWaalsContact O-N 3.17Å
531R86Confident87.9Confident87 Ų8738.2 Ų38.233%0.32822%0.216SC..Hα-helixtrans-57.4-44.5175.1-73.9-174.3-120.7146.5-3.9112.1E464 E527 S528 L529 C533 Q534E464-R531 IonicContact OE1-CZ 2.89Å; E464-R531 IonicContact OE1-NH1 3.59Å; E464-R531 PolarHBondContact OE1-NH1 2.92Å; E464-R531 IonicContact OE1-NH2 3.78Å; E464-R531 PolarHBondContact OE1-NH2 2.89Å; E527-R531 VanDerWaalsContact CD-NH2 3.34Å; E527-R531 PolarHBondContact O-N 2.92Å; E527-R531 IonicContact OE1-CZ 2.64Å; E527-R531 IonicContact OE1-NE 2.67Å; E527-R531 PolarHBondContact OE1-NE 3.41Å; E527-R531 IonicContact OE1-NH2 2.93Å; E527-R531 PolarHBondContact OE1-NH2 3.49Å; E527-R531 IonicContact OE2-NH2 2.71Å; S528-R531 PolarHBondContact O-N 2.83Å; L529-R531 PolarHBondContact O-N 2.96Å; R531-C533 VanDerWaalsContact C-N 3.28Å; R531-C533 PolarHBondContact O-N 3.32Å; R531-Q534 WeakPolarHBondContact O-CB 3.46Å; R531-Q534 PolarHBondContact O-N 3.49Å
532V86.8Confident88Confident8 Ų836.7 Ų36.75%0.04821%0.207CC..Hα-helixtrans-68.2-29.2-178.41730000112.5I462 I497 V501 I508 S528 L529 N530 K536I462-V532 HydrophobicContact CG2-CG2 4.25Å; I497-V532 HydrophobicContact CG2-CG2 3.83Å; V501-V532 HydrophobicContact CG2-CB 4.39Å; V501-V532 HydrophobicContact CG2-CG1 3.97Å; V501-V532 HydrophobicContact CG2-CG2 3.45Å; V501-V532 VanDerWaalsContact CG2-CG2 3.45Å; I508-V532 HydrophobicContact CD1-CG1 3.67Å; I508-V532 VanDerWaalsContact CD1-O 3.3Å; I508-V532 WeakPolarHBondContact CD1-O 3.31Å; S528-V532 VanDerWaalsContact O-CG2 3.31Å; S528-V532 WeakPolarHBondContact O-CG2 3.13Å; S528-V532 PolarHBondContact O-N 3.08Å; L529-V532 PolarHBondContact O-N 3.15Å; N530-V532 VanDerWaalsContact C-N 3.32Å; N530-V532 PolarHBondContact O-N 3.37Å; V532-K536 WeakPolarHBondContact O-CD 3.17Å; V532-K536 PolarHBondContact O-NZ 3.43Å
533C88.6Confident88Confident11 Ų1139.9 Ų39.97%0.07422%0.222CC..Hα-helixtrans-81.2-16.6176.6-64.20000114.2L529 N530 R531 G535 K536 A538L529-C533 PolarHBondContact O-N 3.11Å; L529-C533 PolarHBondContact O-SG 3.28Å; N530-C533 PolarHBondContact O-N 3.49Å; R531-C533 VanDerWaalsContact C-N 3.28Å; R531-C533 PolarHBondContact O-N 3.32Å; C533-G535 PolarHBondContact O-N 2.92Å; C533-K536 PolarHBondContact O-N 2.91Å; C533-K536 VanDerWaalsContact O-N 3.07Å; C533-A538 HydrophobicContact CB-CB 4.21Å
534Q86.4Confident87.8Confident141 Ų14140.1 Ų40.166%0.65921%0.209SC*.THydrogen-bonded Turntrans-56128.9-179.5-75.81748.300111.6N530 R531 K536N530-Q534 WeakPolarHBondContact O-CG 3.33Å; N530-Q534 PolarHBondContact O-N 3.23Å; N530-Q534 VanDerWaalsContact O-N 3.17Å; R531-Q534 WeakPolarHBondContact O-CB 3.46Å; R531-Q534 PolarHBondContact O-N 3.49Å; Q534-K536 PolarHBondContact O-N 3.36Å
535G86.4Confident87.8Confident77 Ų7736 Ų3679%0.79419%0.187SC*.THydrogen-bonded Turntrans73.65.4179.300000115.5C533C533-G535 PolarHBondContact O-N 2.92Å
536K91.9Very high87.5Confident49 Ų4939.4 Ų39.421%0.21321%0.211CC..SBendtrans-120.2151.6-179.8-61.5170.9-170.4154.50110.5G376 P505 I508 V532 C533 Q534 A538G376-K536 CarbonylContact C-O 3.59Å; P505-K536 HydrophobicContact CG-CD 4.33Å; P505-K536 WeakPolarHBondContact O-CD 3.15Å; I508-K536 HydrophobicContact CD1-CD 3.5Å; I508-K536 VanDerWaalsContact CD1-CD 3.5Å; I508-K536 HydrophobicContact CG1-CB 4.5Å; I508-K536 HydrophobicContact CG1-CD 3.98Å; V532-K536 WeakPolarHBondContact O-CD 3.17Å; V532-K536 PolarHBondContact O-NZ 3.43Å; C533-K536 PolarHBondContact O-N 2.91Å; C533-K536 VanDerWaalsContact O-N 3.07Å; Q534-K536 PolarHBondContact O-N 3.36Å; K536-A538 PolarHBondContact O-N 3.48Å
537S95.1Very high87.3Confident2 Ų239 Ų391%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-74.3121.7173.6-56.50000109.3G348 Q374 P375 G376 E377 S506 I507 I508G348-S537 WeakPolarHBondContact O-CB 3.47Å; G348-S537 PolarHBondContact O-OG 3.13Å; Q374-S537 PolarHBondContact O-OG 3.44Å; P375-S537 WeakPolarHBondContact CA-OG 3.29Å; G376-S537 PolarHBondContact N-OG 2.89Å; E377-S537 WeakPolarHBondContact O-CA 3.49Å; S506-S537 PolarHBondContact O-N 2.95Å; I507-S537 CarbonylContact C-O 3.49Å; I507-S537 VanDerWaalsContact CA-O 3.29Å; I507-S537 WeakPolarHBondContact CA-O 3.35Å; I508-S537 PolarHBondContact N-O 2.96Å
538A95Very high87.4Confident0 Ų034.2 Ų34.20%019%0.189CC..EExtended strand (participates in β ladder)trans-120.7132.2-173.700000111.9E377 T378 I379 I508 C533 K536E377-A538 PolarHBondContact O-N 3.5Å; T378-A538 WeakPolarHBondContact CA-O 3.34Å; T378-A538 HydrophobicContact CG2-CB 4.07Å; I379-A538 PolarHBondContact N-O 2.8Å; I508-A538 CarbonylContact O-C 3.58Å; I508-A538 WeakPolarHBondContact O-CA 3.29Å; C533-A538 HydrophobicContact CB-CB 4.21Å; K536-A538 PolarHBondContact O-N 3.48Å
539L95.2Very high87.4Confident0 Ų036.5 Ų36.50%020%0.202CC..EExtended strand (participates in β ladder)trans-109.1110.9169.5-179.866.1000108.7F371 I373 I379 V381 T393 L396 I508 I509 L510F371-L539 HydrophobicContact CE2-CD1 4.44Å; I373-L539 HydrophobicContact CD1-CB 4.05Å; I373-L539 HydrophobicContact CD1-CD1 4.17Å; I379-L539 WeakPolarHBondContact O-CA 3.19Å; V381-L539 HydrophobicContact CG2-CD1 3.6Å; T393-L539 HydrophobicContact CG2-CD2 4.34Å; L396-L539 HydrophobicContact CD2-CD2 3.99Å; I508-L539 PolarHBondContact O-N 2.9Å; I509-L539 WeakPolarHBondContact CA-O 2.98Å; L510-L539 PolarHBondContact N-O 3.45Å
540V94.1Very high87.3Confident16 Ų1642.8 Ų42.810%0.09724%0.236CC..EExtended strand (participates in β ladder)trans-109109.9-175.8-176.10000109.6T378 I379 A380 V381 L510 A542 I548T378-V540 HydrophobicContact CG2-CG2 3.74Å; I379-V540 PolarHBondContact O-N 2.68Å; A380-V540 CarbonylContact C-O 3.58Å; A380-V540 WeakPolarHBondContact CA-O 3.47Å; A380-V540 HydrophobicContact CB-CB 4.47Å; V381-V540 PolarHBondContact N-O 2.88Å; L510-V540 HydrophobicContact CB-CB 4.48Å; L510-V540 HydrophobicContact CB-CG1 4.19Å; L510-V540 HydrophobicContact CB-CG2 4.27Å; L510-V540 HydrophobicContact CD1-CG1 4.46Å; L510-V540 HydrophobicContact CD1-CG2 3.92Å; L510-V540 HydrophobicContact CG-CG2 4.24Å; V540-A542 HydrophobicContact CG1-CB 4.46Å; V540-I548 HydrophobicContact CG1-CG2 3.82Å
541V92.7Very high87.5Confident2 Ų240.2 Ų40.21%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-89.5116.1167.9175.70000107.9V381 K389 T393 L510 E512V381-V541 HydrophobicContact CB-CG2 4.32Å; K389-V541 HydrophobicContact CB-CG1 3.53Å; K389-V541 HydrophobicContact CB-CG2 4.36Å; K389-V541 HydrophobicContact CD-CG1 4.19Å; K389-V541 HydrophobicContact CG-CG1 4.47Å; T393-V541 HydrophobicContact CG2-CG2 3.61Å; L510-V541 PolarHBondContact O-N 3.41Å; E512-V541 WeakPolarHBondContact CA-O 3.42Å; E512-V541 HydrophobicContact CG-CG1 4.24Å; E512-V541 PolarHBondContact N-O 3.38Å
542A85.2Confident87.9Confident5 Ų539.6 Ų39.64%0.04123%0.227CC..  trans-122.9141.1-176.900000112.1V381 V382 V540 I548V381-A542 PolarHBondContact O-N 3.48Å; V382-A542 HydrophobicContact CG1-CB 4.36Å; V540-A542 HydrophobicContact CG1-CB 4.46Å; A542-I548 HydrophobicContact CB-CG2 3.37Å
543H80.7Confident88.2Confident90 Ų9042.1 Ų42.142%0.41724%0.237SC..SBendtrans-90.6-49.7163.6-174-84000110.7L545 Q585H543-L545 PolarHBondContact O-N 2.79Å; H543-Q585 PolarHBondContact O-NE2 3.48Å; H543-Q585 PolarHBondContact O-OE1 3.4Å
544R79.8Confident88.5Confident67 Ų6741.6 Ų41.625%0.25323%0.234SC..SBendtrans-77.5119.6176.8-66178.1-171.1-172.113.9109.4S515 L517 E522 S546 T547S515-R544 PolarHBondContact O-NH2 3.23Å; L517-R544 PolarHBondContact O-NH1 3.38Å; L517-R544 PolarHBondContact O-NH2 2.87Å; L517-R544 VanDerWaalsContact O-NH2 3.08Å; E522-R544 VanDerWaalsContact CD-NH1 3.28Å; E522-R544 WeakPolarHBondContact OE1-CD 3.46Å; E522-R544 IonicContact OE1-NE 3.36Å; E522-R544 IonicContact OE1-NH1 2.68Å; E522-R544 IonicContact OE2-CZ 3.17Å; E522-R544 IonicContact OE2-NH1 3.84Å; E522-R544 PolarHBondContact OE2-NH1 3.48Å; R544-S546 PolarHBondContact O-N 3.48Å; R544-T547 HydrophobicContact CB-CG2 4.3Å; R544-T547 PolarHBondContact O-N 2.87Å; R544-T547 PolarHBondContact O-OG1 2.79Å
545L83.7Confident88.9Confident2 Ų235 Ų351%0.0120%0.203CC..G310 helixtrans-71.3-20.6-177.1-63.2174.1000112.9V382 H543 T547 I548 Y578 M581 W582V382-L545 HydrophobicContact CB-CD2 3.97Å; V382-L545 HydrophobicContact CG1-CD2 3.7Å; V382-L545 HydrophobicContact CG2-CD2 4.19Å; H543-L545 PolarHBondContact O-N 2.79Å; L545-T547 PolarHBondContact O-N 3.18Å; L545-I548 HydrophobicContact CD2-CD1 4.04Å; L545-I548 WeakPolarHBondContact O-CG1 3.38Å; L545-I548 PolarHBondContact O-N 3.22Å; L545-Y578 HydrophobicContact CD2-CD2 4.39Å; L545-Y578 HydrophobicContact CD2-CE2 3.8Å; L545-M581 HydrophobicContact CD1-CB 3.76Å; L545-W582 HydrophobicContact CB-CE3 3.51Å; L545-W582 HydrophobicContact CB-CZ3 3.75Å; L545-W582 VanDerWaalsContact CD1-CA 3.49Å; L545-W582 HydrophobicContact CD1-CB 3.98Å; L545-W582 HydrophobicContact CD1-CE3 4.12Å; L545-W582 VanDerWaalsContact CD1-N 3.32Å; L545-W582 HydrophobicContact CG-CE3 4.47Å
546S80.5Confident89.3Confident72 Ų7231.4 Ų31.450%0.50317%0.165SC..G310 helixtrans-61-29.9176.349.50000113.3R544 I548 V549R544-S546 PolarHBondContact O-N 3.48Å; S546-I548 VanDerWaalsContact C-N 3.27Å; S546-I548 PolarHBondContact O-N 3.48Å; S546-V549 WeakPolarHBondContact O-CG2 3.43Å
547T79.6Confident89.4Confident21 Ų2129 Ų2913%0.12916%0.155CC..G310 helixtrans-77.3-13.8-177.461.40000113.5E522 Q526 R544 L545E522-T547 WeakPolarHBondContact OE1-CG2 3.41Å; Q526-T547 PolarHBondContact NE2-O 2.84Å; R544-T547 HydrophobicContact CB-CG2 4.3Å; R544-T547 PolarHBondContact O-N 2.87Å; R544-T547 PolarHBondContact O-OG1 2.79Å; L545-T547 PolarHBondContact O-N 3.18Å
548I86.9Confident89.3Confident3 Ų333.2 Ų33.22%0.01517%0.173CC..G310 helixtrans-116.69.2-174.761.8153.8000113.6A380 V382 V540 A542 L545 S546 N550 A551 I554 Y578A380-I548 HydrophobicContact CB-CB 3.59Å; A380-I548 HydrophobicContact CB-CD1 3.83Å; A380-I548 HydrophobicContact CB-CG1 4.36Å; A380-I548 HydrophobicContact CB-CG2 3.54Å; V382-I548 HydrophobicContact CB-CD1 4.5Å; V382-I548 HydrophobicContact CG1-CD1 3.28Å; V382-I548 HydrophobicContact CG1-CG1 4.44Å; V540-I548 HydrophobicContact CG1-CG2 3.82Å; A542-I548 HydrophobicContact CB-CG2 3.37Å; L545-I548 HydrophobicContact CD2-CD1 4.04Å; L545-I548 WeakPolarHBondContact O-CG1 3.38Å; L545-I548 PolarHBondContact O-N 3.22Å; S546-I548 VanDerWaalsContact C-N 3.27Å; S546-I548 PolarHBondContact O-N 3.48Å; I548-N550 PolarHBondContact O-N 3.06Å; I548-A551 HydrophobicContact CB-CB 4.42Å; I548-A551 VanDerWaalsContact O-CB 3.24Å; I548-A551 WeakPolarHBondContact O-CB 3.3Å; I548-A551 PolarHBondContact O-N 2.99Å; I548-I554 HydrophobicContact CD1-CD1 4Å; I548-I554 HydrophobicContact CD1-CG1 4.19Å; I548-I554 HydrophobicContact CD1-CG2 3.96Å; I548-Y578 HydrophobicContact CD1-CE2 4.22Å
549V86.7Confident89Confident47 Ų4739.1 Ų39.129%0.28520%0.204SC..THydrogen-bonded Turntrans-56-36.5178.4174.80000111S546 A551 W582S546-V549 WeakPolarHBondContact O-CG2 3.43Å; V549-A551 VanDerWaalsContact C-N 3.34Å; V549-A551 PolarHBondContact O-N 2.59Å; V549-W582 HydrophobicContact CG2-CH2 3.78Å; V549-W582 HydrophobicContact CG2-CZ3 3.86Å
550N86Confident88.8Confident134 Ų13439.2 Ų39.272%0.71721%0.205SC*.THydrogen-bonded Turntrans-897.3-179-60.8-23.2000113.8I548I548-N550 PolarHBondContact O-N 3.06Å
551A91.1Very high88.8Confident10 Ų1043.5 Ų43.58%0.08322%0.223CC..  trans-67.7139.7177.500000110.5T378 A380 I548 V549 K553 I554T378-A551 HydrophobicContact CG2-CB 4.43Å; A380-A551 HydrophobicContact CB-CB 3.67Å; I548-A551 HydrophobicContact CB-CB 4.42Å; I548-A551 VanDerWaalsContact O-CB 3.24Å; I548-A551 WeakPolarHBondContact O-CB 3.3Å; I548-A551 PolarHBondContact O-N 2.99Å; V549-A551 VanDerWaalsContact C-N 3.34Å; V549-A551 PolarHBondContact O-N 2.59Å; A551-K553 PolarHBondContact O-N 2.94Å; A551-I554 HydrophobicContact CB-CG1 4.15Å
552N92.7Very high88.8Confident75 Ų7545.6 Ų45.640%0.40123%0.233SC..SBendtrans-63.2-34.2178.4-60.5100.1000111.7E377 T378 R567E377-N552 HydrophobicContact CG-CB 3.52Å; T378-N552 PolarHBondContact N-OD1 3.02Å; T378-N552 PolarHBondContact O-N 3.24Å; N552-R567 WeakPolarHBondContact O-CG 3.17Å
553K94.2Very high89.3Confident61 Ų6148.8 Ų48.827%0.26525%0.253SS..EExtended strand (participates in β ladder)trans-148.3137.1177.4-170.5173.1-178.3177.70110.2T378 I379 A380 A551 L555T378-K553 PolarHBondContact O-N 3.04Å; I379-K553 CarbonylContact C-O 3.51Å; I379-K553 VanDerWaalsContact CA-O 3.31Å; I379-K553 WeakPolarHBondContact CA-O 3.47Å; I379-K553 HydrophobicContact CD1-CB 4.34Å; I379-K553 HydrophobicContact CD1-CD 4.23Å; I379-K553 HydrophobicContact CG1-CB 4.25Å; A380-K553 PolarHBondContact N-O 3.05Å; A551-K553 PolarHBondContact O-N 2.94Å; K553-L555 HydrophobicContact CD-CD2 4.43Å; K553-L555 HydrophobicContact CG-CD2 4.38Å
554I95.5Very high89.9Confident0 Ų046.3 Ų46.30%024%0.241CC..EExtended strand (participates in β ladder)trans-111.7133.6175.9-57172.8000107.7A380 V382 I548 A551 H565 G566 H568 L571 Y578A380-I554 HydrophobicContact CB-CG1 4.22Å; A380-I554 CarbonylContact O-C 3.56Å; A380-I554 WeakPolarHBondContact O-CA 3.42Å; V382-I554 HydrophobicContact CG2-CG2 3.78Å; I548-I554 HydrophobicContact CD1-CD1 4Å; I548-I554 HydrophobicContact CD1-CG1 4.19Å; I548-I554 HydrophobicContact CD1-CG2 3.96Å; A551-I554 HydrophobicContact CB-CG1 4.15Å; I554-H565 WeakPolarHBondContact O-CA 3.35Å; I554-G566 PolarHBondContact N-O 3.37Å; I554-G566 PolarHBondContact O-N 3.38Å; I554-G566 VanDerWaalsContact O-N 3.15Å; I554-H568 HydrophobicContact CD1-CB 4.02Å; I554-L571 HydrophobicContact CB-CD1 3.7Å; I554-L571 HydrophobicContact CD1-CD1 4.44Å; I554-L571 HydrophobicContact CG2-CD1 3.85Å; I554-Y578 HydrophobicContact CD1-CE2 3.88Å; I554-Y578 WeakPolarHBondContact CD1-OH 3.21Å; I554-Y578 HydrophobicContact CG2-CD2 4.09Å; I554-Y578 HydrophobicContact CG2-CE2 3.82Å
555L95Very high90.6Very high3 Ų348 Ų482%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-112.4121.7174.3-55.6179.9000108.6F371 I379 A380 V381 V382 K553 L557 I562 H565F371-L555 HydrophobicContact CB-CD1 3.79Å; F371-L555 HydrophobicContact CD1-CD1 3.84Å; F371-L555 HydrophobicContact CD2-CD1 3.67Å; F371-L555 HydrophobicContact CE1-CD1 4.31Å; F371-L555 HydrophobicContact CE2-CD1 4.17Å; F371-L555 HydrophobicContact CG-CD1 3.49Å; F371-L555 VanDerWaalsContact CG-CD1 3.49Å; F371-L555 HydrophobicContact CZ-CD1 4.46Å; I379-L555 HydrophobicContact CG2-CD1 3.66Å; I379-L555 HydrophobicContact CG2-CG 3.76Å; A380-L555 PolarHBondContact O-N 3.11Å; V381-L555 WeakPolarHBondContact CA-O 3.49Å; V381-L555 HydrophobicContact CG2-CD1 4.5Å; V382-L555 PolarHBondContact N-O 2.71Å; K553-L555 HydrophobicContact CD-CD2 4.43Å; K553-L555 HydrophobicContact CG-CD2 4.38Å; L555-L557 HydrophobicContact CB-CD1 4.29Å; L555-I562 HydrophobicContact CD1-CD1 4.18Å; L555-I562 HydrophobicContact CD2-CG2 4.48Å; L555-H565 HydrophobicContact CD2-CB 3.66Å
556V94.5Very high91Very high0 Ų048.6 Ų48.60%026%0.258CS..EExtended strand (participates in β ladder)trans-98.1114.9176.7-170.90000108.5V382 I562 V563 E564 L571 L577 Y578 M581V382-V556 HydrophobicContact CG2-CB 4.44Å; V382-V556 HydrophobicContact CG2-CG1 4.5Å; V382-V556 HydrophobicContact CG2-CG2 3.97Å; V382-V556 CarbonylContact O-C 3.6Å; V382-V556 WeakPolarHBondContact O-CA 3.4Å; V556-I562 CarbonylContact O-C 3.54Å; V556-I562 WeakPolarHBondContact O-CA 3.29Å; V556-V563 HydrophobicContact CB-CG2 4.1Å; V556-V563 HydrophobicContact CG1-CG2 3.91Å; V556-V563 WeakPolarHBondContact O-CG2 3.37Å; V556-V563 PolarHBondContact O-N 3.37Å; V556-E564 HydrophobicContact CB-CB 3.93Å; V556-E564 HydrophobicContact CG2-CB 3.82Å; V556-E564 PolarHBondContact N-O 3.28Å; V556-L571 HydrophobicContact CG2-CD1 4.27Å; V556-L577 HydrophobicContact CG1-CB 4.41Å; V556-L577 HydrophobicContact CG1-CD2 3.79Å; V556-L577 HydrophobicContact CG1-CG 4.2Å; V556-Y578 HydrophobicContact CG2-CD2 4.1Å; V556-Y578 HydrophobicContact CG2-CG 4.49Å; V556-M581 HydrophobicContact CG1-CE 3.84Å
557L93.6Very high91.7Very high0 Ų052.7 Ų52.70%026%0.262CS..EExtended strand (participates in β ladder)trans-95.7132.4175.1-87.470.1000110.8L366 V381 V382 G383 P384 S387 L392 L555 K561 I562L366-L557 HydrophobicContact CD2-CD2 4Å; V381-L557 HydrophobicContact CG1-CD1 3.6Å; V381-L557 HydrophobicContact CG1-CD2 4.33Å; V381-L557 HydrophobicContact CG1-CG 4.46Å; V382-L557 PolarHBondContact O-N 2.93Å; G383-L557 WeakPolarHBondContact CA-O 3.33Å; P384-L557 WeakPolarHBondContact CD-O 3.3Å; S387-L557 VanDerWaalsContact CB-O 3.29Å; S387-L557 WeakPolarHBondContact CB-O 3.4Å; L392-L557 HydrophobicContact CD1-CD2 3.93Å; L555-L557 HydrophobicContact CB-CD1 4.29Å; L557-K561 VanDerWaalsContact CA-O 3.29Å; L557-K561 WeakPolarHBondContact CA-O 3.1Å; L557-I562 HydrophobicContact CD1-CG1 3.96Å; L557-I562 HydrophobicContact CG-CG1 4.45Å
558K92.5Very high92.3Very high89 Ų8952.8 Ų52.839%0.38726%0.261SS..EExtended strand (participates in β ladder)trans-140.4134.3169.1-180177.5173.6-178.20108.7G560 K561 V563 L577K558-G560 PolarHBondContact O-N 3.36Å; K558-G560 VanDerWaalsContact O-N 3.09Å; K558-K561 PolarHBondContact N-O 2.78Å; K558-K561 PolarHBondContact O-N 2.73Å; K558-V563 HydrophobicContact CB-CG1 3.85Å; K558-V563 HydrophobicContact CB-CG2 3.92Å; K558-L577 HydrophobicContact CB-CD2 3.98Å; K558-L577 HydrophobicContact CD-CD2 3.8Å; K558-L577 HydrophobicContact CG-CD2 4.36Å
559D89.9Confident92.6Very high124 Ų12459.5 Ų59.566%0.66329%0.293SS*.THydrogen-bonded Turntrans5037.2179.2-52.7-40000113.6K561D559-K561 VanDerWaalsContact C-N 3.34Å; D559-K561 PolarHBondContact O-N 2.63Å
560G89.8Confident92.9Very high2 Ų260.9 Ų60.92%0.02130%0.298CS..THydrogen-bonded Turntrans804178.800000116.3I365 L366 Q367 V369 K558I365-G560 WeakPolarHBondContact O-CA 3.24Å; L366-G560 WeakPolarHBondContact CA-O 3.26Å; Q367-G560 PolarHBondContact N-O 3.47Å; V369-G560 VanDerWaalsContact CG2-O 3.23Å; V369-G560 WeakPolarHBondContact CG2-O 3.29Å; K558-G560 PolarHBondContact O-N 3.36Å; K558-G560 VanDerWaalsContact O-N 3.09Å
561K93.6Very high93.2Very high107 Ų10754.5 Ų54.547%0.46526%0.264SS..EExtended strand (participates in β ladder)trans-118.7150.4179.7-62-178.8-174.9175.60111.1Q367 L557 K558 D559 V563Q367-K561 HydrophobicContact CB-CG 3.93Å; L557-K561 VanDerWaalsContact CA-O 3.29Å; L557-K561 WeakPolarHBondContact CA-O 3.1Å; K558-K561 PolarHBondContact N-O 2.78Å; K558-K561 PolarHBondContact O-N 2.73Å; D559-K561 VanDerWaalsContact C-N 3.34Å; D559-K561 PolarHBondContact O-N 2.63Å; K561-V563 PolarHBondContact O-N 3.16Å
562I94.2Very high93.3Very high45 Ų4556.5 Ų56.523%0.23127%0.273CS..EExtended strand (participates in β ladder)trans-76.3112.6168.3-61.4172000107.6V369 F371 L555 V556 L557V369-I562 HydrophobicContact CG1-CD1 3.77Å; V369-I562 HydrophobicContact CG1-CG1 4.07Å; F371-I562 HydrophobicContact CB-CD1 4.24Å; F371-I562 HydrophobicContact CD1-CD1 3.9Å; F371-I562 HydrophobicContact CG-CD1 4.46Å; L555-I562 HydrophobicContact CD1-CD1 4.18Å; L555-I562 HydrophobicContact CD2-CG2 4.48Å; V556-I562 CarbonylContact O-C 3.54Å; V556-I562 WeakPolarHBondContact O-CA 3.29Å; L557-I562 HydrophobicContact CD1-CG1 3.96Å; L557-I562 HydrophobicContact CG-CG1 4.45Å
563V94Very high93.3Very high73 Ų7360.2 Ų60.244%0.44229%0.292SS..EExtended strand (participates in β ladder)trans-94.6-32.2-180-67.40000112.7V556 K558 K561 L577V556-V563 HydrophobicContact CB-CG2 4.1Å; V556-V563 HydrophobicContact CG1-CG2 3.91Å; V556-V563 WeakPolarHBondContact O-CG2 3.37Å; V556-V563 PolarHBondContact O-N 3.37Å; K558-V563 HydrophobicContact CB-CG1 3.85Å; K558-V563 HydrophobicContact CB-CG2 3.92Å; K561-V563 PolarHBondContact O-N 3.16Å; V563-L577 HydrophobicContact CG2-CD2 4.03Å
564E93.9Very high93.2Very high38 Ų3863.5 Ų63.518%0.17831%0.307CS..EExtended strand (participates in β ladder)trans-140.6149.7178.7-66.1168.5-165.800110.3V556 L571 G576 L577 Y578V556-E564 HydrophobicContact CB-CB 3.93Å; V556-E564 HydrophobicContact CG2-CB 3.82Å; V556-E564 PolarHBondContact N-O 3.28Å; E564-L571 HydrophobicContact CB-CD2 3.86Å; E564-G576 WeakPolarHBondContact OE1-CA 3.33Å; E564-L577 PolarHBondContact OE1-N 3.15Å; E564-L577 PolarHBondContact OE2-N 3.2Å; E564-Y578 PolarHBondContact OE2-N 2.94Å; E564-Y578 VanDerWaalsContact OE2-N 3.16Å
565H94.1Very high92.9Very high103 Ų10365.8 Ų65.848%0.47733%0.33SS..EExtended strand (participates in β ladder)trans-148.1150.2169.761.3-94.5000111.3I554 L555 K574I554-H565 WeakPolarHBondContact O-CA 3.35Å; L555-H565 HydrophobicContact CD2-CB 3.66Å; H565-K574 PolarHBondContact O-NZ 3.14Å
566G93.3Very high92.8Very high13 Ų1366.4 Ų66.413%0.13434%0.337CS..EExtended strand (participates in β ladder)trans158.4-173.7-179.800000112.2I554I554-G566 PolarHBondContact N-O 3.37Å; I554-G566 PolarHBondContact O-N 3.38Å; I554-G566 VanDerWaalsContact O-N 3.15Å
567R94Very high92.6Very high158 Ų15868 Ų6860%0.59635%0.345SS*.  trans-78.7166.4167.8-65.5179.3173.8-173.11110.5N552 E569 D570 L571N552-R567 WeakPolarHBondContact O-CG 3.17Å; R567-E569 VanDerWaalsContact C-N 3.34Å; R567-E569 PolarHBondContact O-N 3.06Å; R567-D570 WeakPolarHBondContact CB-OD2 3.26Å; R567-D570 PolarHBondContact N-OD2 3.32Å; R567-D570 PolarHBondContact O-N 3.37Å; R567-L571 WeakPolarHBondContact O-CB 3.09Å; R567-L571 WeakPolarHBondContact O-CG 3.34Å; R567-L571 PolarHBondContact O-N 3.23Å
568H92.9Very high92.6Very high24 Ų2468 Ų6811%0.11135%0.345CS..Hα-helixtrans-50.3-52.4177.1174.670.5000112.4I554 D570 L571 L572 Y578 W582I554-H568 HydrophobicContact CD1-CB 4.02Å; H568-D570 PolarHBondContact O-N 2.84Å; H568-L571 PolarHBondContact O-N 2.95Å; H568-L572 VanDerWaalsContact NE2-CD1 3.32Å; H568-L572 WeakPolarHBondContact NE2-CD1 3.17Å; H568-L572 WeakPolarHBondContact O-CG 3.41Å; H568-L572 PolarHBondContact O-N 3.25Å; H568-Y578 AromaticContact ND1-CE1 3.55Å; H568-Y578 AromaticContact ND1-CZ 3.6Å; H568-Y578 PolarHBondContact ND1-OH 3.28Å; H568-W582 AromaticContact CE1-CE3 3.76Å; H568-W582 AromaticContact CE1-CH2 3.73Å; H568-W582 AromaticContact CE1-CZ2 3.95Å; H568-W582 AromaticContact CE1-CZ3 3.62Å
569E93.1Very high92.6Very high144 Ų14463.9 Ų63.967%0.67333%0.328SS*.Hα-helixtrans-62.1-45.2-178.8-62.9176.1-176.900112R567 L571 L572 L573R567-E569 VanDerWaalsContact C-N 3.34Å; R567-E569 PolarHBondContact O-N 3.06Å; E569-L571 VanDerWaalsContact C-N 3.33Å; E569-L571 PolarHBondContact O-N 3.41Å; E569-L572 PolarHBondContact O-N 3.43Å; E569-L573 WeakPolarHBondContact O-CG 2.84Å; E569-L573 PolarHBondContact O-N 3.37Å
570D93.5Very high92.6Very high75 Ų7563.9 Ų63.940%0.40132%0.324SS..Hα-helixtrans-61.8-41.1179.1-56.2-37.5000112R567 H568 L573 K574R567-D570 WeakPolarHBondContact CB-OD2 3.26Å; R567-D570 PolarHBondContact N-OD2 3.32Å; R567-D570 PolarHBondContact O-N 3.37Å; H568-D570 PolarHBondContact O-N 2.84Å; D570-L573 PolarHBondContact O-N 2.87Å; D570-K574 VanDerWaalsContact O-CG 3.29Å; D570-K574 WeakPolarHBondContact O-CG 3.42Å; D570-K574 PolarHBondContact O-N 3.19Å; D570-K574 VanDerWaalsContact O-N 3.08Å
571L92.4Very high92.6Very high0 Ų065 Ų650%033%0.329CS..Hα-helixtrans-72.6-33.6-179.3-71.8179000112.3I554 V556 E564 R567 H568 E569 K574 Y578I554-L571 HydrophobicContact CB-CD1 3.7Å; I554-L571 HydrophobicContact CD1-CD1 4.44Å; I554-L571 HydrophobicContact CG2-CD1 3.85Å; V556-L571 HydrophobicContact CG2-CD1 4.27Å; E564-L571 HydrophobicContact CB-CD2 3.86Å; R567-L571 WeakPolarHBondContact O-CB 3.09Å; R567-L571 WeakPolarHBondContact O-CG 3.34Å; R567-L571 PolarHBondContact O-N 3.23Å; H568-L571 PolarHBondContact O-N 2.95Å; E569-L571 VanDerWaalsContact C-N 3.33Å; E569-L571 PolarHBondContact O-N 3.41Å; L571-K574 HydrophobicContact CD2-CD 4.41Å; L571-Y578 HydrophobicContact CB-CD1 3.43Å; L571-Y578 VanDerWaalsContact CB-CD1 3.43Å; L571-Y578 HydrophobicContact CB-CE1 4.11Å; L571-Y578 HydrophobicContact CB-CG 3.72Å; L571-Y578 HydrophobicContact CD1-CD1 4.25Å; L571-Y578 HydrophobicContact CD1-CD2 3.96Å; L571-Y578 HydrophobicContact CD1-CE2 4.42Å; L571-Y578 HydrophobicContact CD1-CG 3.86Å; L571-Y578 HydrophobicContact CG-CD1 4.49Å; L571-Y578 HydrophobicContact CG-CG 4.41Å
572L92.3Very high92.5Very high52 Ų5262.7 Ų62.727%0.27232%0.317SS..Hα-helixtrans-65.7-45171.5-73.2-177.5000111.5H568 E569 K574 G575 Y578 A579 W582H568-L572 VanDerWaalsContact NE2-CD1 3.32Å; H568-L572 WeakPolarHBondContact NE2-CD1 3.17Å; H568-L572 WeakPolarHBondContact O-CG 3.41Å; H568-L572 PolarHBondContact O-N 3.25Å; E569-L572 PolarHBondContact O-N 3.43Å; L572-K574 VanDerWaalsContact C-N 3.29Å; L572-K574 PolarHBondContact O-N 3.25Å; L572-G575 PolarHBondContact O-N 3.46Å; L572-G575 VanDerWaalsContact O-N 3.09Å; L572-Y578 HydrophobicContact CD2-CD1 4.13Å; L572-Y578 HydrophobicContact CD2-CE1 4.05Å; L572-Y578 HydrophobicContact CG-CD1 4.43Å; L572-Y578 HydrophobicContact CG-CE1 4.16Å; L572-A579 HydrophobicContact CD2-CB 4.22Å; L572-W582 HydrophobicContact CD2-CB 3.87Å; L572-W582 HydrophobicContact CD2-CD2 4.43Å; L572-W582 HydrophobicContact CD2-CG 3.73Å
573L92.5Very high92.2Very high153 Ų15366.5 Ų66.580%0.80133%0.334SS*.Hα-helixtrans-63.4-34178.6-72.8172.3000112.8E569 D570 G575E569-L573 WeakPolarHBondContact O-CG 2.84Å; E569-L573 PolarHBondContact O-N 3.37Å; D570-L573 PolarHBondContact O-N 2.87Å; L573-G575 PolarHBondContact O-N 2.9Å
574K91.9Very high92Very high131 Ų13168.7 Ų68.757%0.5734%0.339SS*.THydrogen-bonded Turntrans-65.7-18.8175.2-76.5173.5-175.6179.80113.5H565 D570 L571 L572 G576H565-K574 PolarHBondContact O-NZ 3.14Å; D570-K574 VanDerWaalsContact O-CG 3.29Å; D570-K574 WeakPolarHBondContact O-CG 3.42Å; D570-K574 PolarHBondContact O-N 3.19Å; D570-K574 VanDerWaalsContact O-N 3.08Å; L571-K574 HydrophobicContact CD2-CD 4.41Å; L572-K574 VanDerWaalsContact C-N 3.29Å; L572-K574 PolarHBondContact O-N 3.25Å; K574-G576 PolarHBondContact O-N 3.3Å
575G89.7Confident91.6Very high48 Ų4868.6 Ų68.650%0.49534%0.339SS..THydrogen-bonded Turntrans63.720.7179.800000114.4L572 L573L572-G575 PolarHBondContact O-N 3.46Å; L572-G575 VanDerWaalsContact O-N 3.09Å; L573-G575 PolarHBondContact O-N 2.9Å
576G92.3Very high91.1Very high15 Ų1565 Ų6516%0.15533%0.325CS..SBendtrans-79.4-160-174.800000114.6E564 K574 Y578 A579 Q580E564-G576 WeakPolarHBondContact OE1-CA 3.33Å; K574-G576 PolarHBondContact O-N 3.3Å; G576-Y578 VanDerWaalsContact C-N 3.25Å; G576-Y578 PolarHBondContact O-N 3.25Å; G576-A579 PolarHBondContact O-N 3.42Å; G576-Q580 WeakPolarHBondContact O-CG 3.45Å; G576-Q580 PolarHBondContact O-N 3.48Å; G576-Q580 VanDerWaalsContact O-N 3.09Å
577L91.2Very high90.7Very high34 Ų3471.2 Ų71.218%0.17835%0.349CS..Hα-helixtrans-58.6-37.5176.7-177.463.3000111.7V556 K558 V563 E564 Q580 M581V556-L577 HydrophobicContact CG1-CB 4.41Å; V556-L577 HydrophobicContact CG1-CD2 3.79Å; V556-L577 HydrophobicContact CG1-CG 4.2Å; K558-L577 HydrophobicContact CB-CD2 3.98Å; K558-L577 HydrophobicContact CD-CD2 3.8Å; K558-L577 HydrophobicContact CG-CD2 4.36Å; V563-L577 HydrophobicContact CG2-CD2 4.03Å; E564-L577 PolarHBondContact OE1-N 3.15Å; E564-L577 PolarHBondContact OE2-N 3.2Å; L577-Q580 PolarHBondContact O-N 3.49Å; L577-M581 HydrophobicContact CG-CE 4.23Å; L577-M581 WeakPolarHBondContact O-CG 3.47Å; L577-M581 PolarHBondContact O-N 3.1Å
578Y93.1Very high90.1Very high0 Ų067.8 Ų67.80%034%0.339CS..Hα-helixtrans-58.1-49.2174.6-175.5-97.5000112.3V382 L545 I548 I554 V556 E564 H568 L571 L572 G576 Q580 M581 W582V382-Y578 HydrophobicContact CG2-CD2 4.06Å; V382-Y578 HydrophobicContact CG2-CE2 4.27Å; L545-Y578 HydrophobicContact CD2-CD2 4.39Å; L545-Y578 HydrophobicContact CD2-CE2 3.8Å; I548-Y578 HydrophobicContact CD1-CE2 4.22Å; I554-Y578 HydrophobicContact CD1-CE2 3.88Å; I554-Y578 WeakPolarHBondContact CD1-OH 3.21Å; I554-Y578 HydrophobicContact CG2-CD2 4.09Å; I554-Y578 HydrophobicContact CG2-CE2 3.82Å; V556-Y578 HydrophobicContact CG2-CD2 4.1Å; V556-Y578 HydrophobicContact CG2-CG 4.49Å; E564-Y578 PolarHBondContact OE2-N 2.94Å; E564-Y578 VanDerWaalsContact OE2-N 3.16Å; H568-Y578 AromaticContact ND1-CE1 3.55Å; H568-Y578 AromaticContact ND1-CZ 3.6Å; H568-Y578 PolarHBondContact ND1-OH 3.28Å; L571-Y578 HydrophobicContact CB-CD1 3.43Å; L571-Y578 VanDerWaalsContact CB-CD1 3.43Å; L571-Y578 HydrophobicContact CB-CE1 4.11Å; L571-Y578 HydrophobicContact CB-CG 3.72Å; L571-Y578 HydrophobicContact CD1-CD1 4.25Å; L571-Y578 HydrophobicContact CD1-CD2 3.96Å; L571-Y578 HydrophobicContact CD1-CE2 4.42Å; L571-Y578 HydrophobicContact CD1-CG 3.86Å; L571-Y578 HydrophobicContact CG-CD1 4.49Å; L571-Y578 HydrophobicContact CG-CG 4.41Å; L572-Y578 HydrophobicContact CD2-CD1 4.13Å; L572-Y578 HydrophobicContact CD2-CE1 4.05Å; L572-Y578 HydrophobicContact CG-CD1 4.43Å; L572-Y578 HydrophobicContact CG-CE1 4.16Å; G576-Y578 VanDerWaalsContact C-N 3.25Å; G576-Y578 PolarHBondContact O-N 3.25Å; Y578-Q580 VanDerWaalsContact C-N 3.33Å; Y578-Q580 PolarHBondContact O-N 3.5Å; Y578-M581 PolarHBondContact O-N 3.47Å; Y578-W582 WeakPolarHBondContact O-CB 3.47Å; Y578-W582 PolarHBondContact O-N 3.33Å
579A92.2Very high89.2Confident3 Ų370.3 Ų70.33%0.02536%0.36CS..Hα-helixtrans-63-40.4-179.900000111.6L572 G576 W582 H583L572-A579 HydrophobicContact CD2-CB 4.22Å; G576-A579 PolarHBondContact O-N 3.42Å; A579-W582 WeakPolarHBondContact O-CB 3.49Å; A579-W582 PolarHBondContact O-N 2.92Å; A579-H583 PolarHBondContact O-CD2 3.42Å; A579-H583 PolarHBondContact O-N 3.08Å
580Q90.8Very high88.4Confident124 Ų12472 Ų7258%0.57936%0.36SS*.Hα-helixtrans-60.1-48.5175-67.8173.512.400112G576 L577 Y578 W582 H583 Q584G576-Q580 WeakPolarHBondContact O-CG 3.45Å; G576-Q580 PolarHBondContact O-N 3.48Å; G576-Q580 VanDerWaalsContact O-N 3.09Å; L577-Q580 PolarHBondContact O-N 3.49Å; Y578-Q580 VanDerWaalsContact C-N 3.33Å; Y578-Q580 PolarHBondContact O-N 3.5Å; Q580-W582 VanDerWaalsContact C-N 3.3Å; Q580-W582 PolarHBondContact O-N 3.4Å; Q580-H583 PolarHBondContact O-N 2.85Å; Q580-Q584 PolarHBondContact O-N 2.8Å
581M89.5Confident87.7Confident24 Ų2472.7 Ų72.712%0.11836%0.363CS..Hα-helixtrans-62.2-38.4176.3-68.7-173.9-6200111.6V382 L545 V556 L577 Y578 Q584 Q585V382-M581 HydrophobicContact CG2-CE 4.2Å; L545-M581 HydrophobicContact CD1-CB 3.76Å; V556-M581 HydrophobicContact CG1-CE 3.84Å; L577-M581 HydrophobicContact CG-CE 4.23Å; L577-M581 WeakPolarHBondContact O-CG 3.47Å; L577-M581 PolarHBondContact O-N 3.1Å; Y578-M581 PolarHBondContact O-N 3.47Å; M581-Q584 PolarHBondContact O-N 3.07Å; M581-Q585 WeakPolarHBondContact O-CG 3.34Å; M581-Q585 PolarHBondContact O-N 3.43Å
582W90.6Very high86.6Confident59 Ų5979.8 Ų79.822%0.22339%0.394CS..Hα-helixtrans-61.7-47.6176.4-179.6-97000112.3L545 V549 H568 L572 Y578 A579 Q580 Q584 Q585 S586L545-W582 HydrophobicContact CB-CE3 3.51Å; L545-W582 HydrophobicContact CB-CZ3 3.75Å; L545-W582 VanDerWaalsContact CD1-CA 3.49Å; L545-W582 HydrophobicContact CD1-CB 3.98Å; L545-W582 HydrophobicContact CD1-CE3 4.12Å; L545-W582 VanDerWaalsContact CD1-N 3.32Å; L545-W582 HydrophobicContact CG-CE3 4.47Å; V549-W582 HydrophobicContact CG2-CH2 3.78Å; V549-W582 HydrophobicContact CG2-CZ3 3.86Å; H568-W582 AromaticContact CE1-CE3 3.76Å; H568-W582 AromaticContact CE1-CH2 3.73Å; H568-W582 AromaticContact CE1-CZ2 3.95Å; H568-W582 AromaticContact CE1-CZ3 3.62Å; L572-W582 HydrophobicContact CD2-CB 3.87Å; L572-W582 HydrophobicContact CD2-CD2 4.43Å; L572-W582 HydrophobicContact CD2-CG 3.73Å; Y578-W582 WeakPolarHBondContact O-CB 3.47Å; Y578-W582 PolarHBondContact O-N 3.33Å; A579-W582 WeakPolarHBondContact O-CB 3.49Å; A579-W582 PolarHBondContact O-N 2.92Å; Q580-W582 VanDerWaalsContact C-N 3.3Å; Q580-W582 PolarHBondContact O-N 3.4Å; W582-Q584 VanDerWaalsContact C-N 3.34Å; W582-Q584 PolarHBondContact O-N 2.86Å; W582-Q585 PolarHBondContact O-N 3.34Å; W582-S586 VanDerWaalsContact O-CB 3.24Å; W582-S586 WeakPolarHBondContact O-CB 3.46Å; W582-S586 PolarHBondContact O-N 2.89Å; W582-S586 PolarHBondContact O-OG 3.31Å
583H89.8Confident85.5Confident125 Ų12582.8 Ų82.858%0.57941%0.406SS*.Hα-helixtrans-64.2-39.5177.5-70.4-54.4000112.1A579 Q580 K587A579-H583 PolarHBondContact O-CD2 3.42Å; A579-H583 PolarHBondContact O-N 3.08Å; Q580-H583 PolarHBondContact O-N 2.85Å; H583-K587 WeakPolarHBondContact O-CB 3.33Å; H583-K587 PolarHBondContact O-N 2.87Å
584Q88.2Confident84.5Confident119 Ų11979.9 Ų79.956%0.55639%0.392SS*.Hα-helixtrans-62.3-52.4176.4-175.8178.1-11.800111.4Q580 M581 W582 S586 K587 E588Q580-Q584 PolarHBondContact O-N 2.8Å; M581-Q584 PolarHBondContact O-N 3.07Å; W582-Q584 VanDerWaalsContact C-N 3.34Å; W582-Q584 PolarHBondContact O-N 2.86Å; Q584-S586 VanDerWaalsContact C-N 3.34Å; Q584-S586 PolarHBondContact O-N 3.46Å; Q584-K587 WeakPolarHBondContact O-CB 3.24Å; Q584-K587 PolarHBondContact O-N 3.37Å; Q584-E588 PolarHBondContact NE2-OE1 3.13Å; Q584-E588 WeakPolarHBondContact O-CG 3.22Å; Q584-E588 PolarHBondContact O-N 2.83Å
585Q85.4Confident83.5Confident36 Ų3679.5 Ų79.517%0.16839%0.392CS..Hα-helixtrans-64.9-37.8179.6-70.8-173.213.300112.5H543 M581 W582 K587 E588 S589H543-Q585 PolarHBondContact O-NE2 3.48Å; H543-Q585 PolarHBondContact O-OE1 3.4Å; M581-Q585 WeakPolarHBondContact O-CG 3.34Å; M581-Q585 PolarHBondContact O-N 3.43Å; W582-Q585 PolarHBondContact O-N 3.34Å; Q585-K587 VanDerWaalsContact C-N 3.29Å; Q585-K587 PolarHBondContact O-N 2.79Å; Q585-E588 PolarHBondContact O-N 3.16Å; Q585-S589 WeakPolarHBondContact O-CB 3.47Å; Q585-S589 PolarHBondContact O-N 2.96Å; Q585-S589 PolarHBondContact O-OG 3.28Å; Q585-S589 VanDerWaalsContact O-OG 3.14Å
586S83.9Confident82.5Confident27 Ų2780 Ų8019%0.18939%0.391CS..Hα-helixtrans-62.2-38175.2-64.30000112W582 Q584 R590W582-S586 VanDerWaalsContact O-CB 3.24Å; W582-S586 WeakPolarHBondContact O-CB 3.46Å; W582-S586 PolarHBondContact O-N 2.89Å; W582-S586 PolarHBondContact O-OG 3.31Å; Q584-S586 VanDerWaalsContact C-N 3.34Å; Q584-S586 PolarHBondContact O-N 3.46Å; S586-R590 WeakPolarHBondContact O-CG 3.35Å; S586-R590 PolarHBondContact O-N 3.3Å; S586-R590 VanDerWaalsContact O-N 3.13Å
587K84.4Confident81.4Confident145 Ų14584.6 Ų84.663%0.6341%0.413SS*.Hα-helixtrans-67.8-45.7175.8-173.1179.7178.6-177.10111H583 Q584 Q585 R590 L591H583-K587 WeakPolarHBondContact O-CB 3.33Å; H583-K587 PolarHBondContact O-N 2.87Å; Q584-K587 WeakPolarHBondContact O-CB 3.24Å; Q584-K587 PolarHBondContact O-N 3.37Å; Q585-K587 VanDerWaalsContact C-N 3.29Å; Q585-K587 PolarHBondContact O-N 2.79Å; K587-R590 PolarHBondContact O-N 3.25Å; K587-L591 HydrophobicContact CG-CD1 4.22Å; K587-L591 VanDerWaalsContact O-CG 3.29Å; K587-L591 WeakPolarHBondContact O-CG 3.39Å; K587-L591 PolarHBondContact O-N 2.86Å
588E81.5Confident80.3Confident86 Ų8693.4 Ų93.440%0.40244%0.443SS..Hα-helixtrans-60.6-44.3176.7-71.9172.9-167.400112Q584 Q585 R590 L591 K592Q584-E588 PolarHBondContact NE2-OE1 3.13Å; Q584-E588 WeakPolarHBondContact O-CG 3.22Å; Q584-E588 PolarHBondContact O-N 2.83Å; Q585-E588 PolarHBondContact O-N 3.16Å; E588-R590 PolarHBondContact O-N 3.19Å; E588-L591 PolarHBondContact O-N 3.38Å; E588-K592 WeakPolarHBondContact O-CG 3.22Å; E588-K592 PolarHBondContact O-N 2.9Å
589S75.1Confident78.1Confident77 Ų77102.8 Ų102.854%0.53849%0.494SS..Hα-helixtrans-63.8-39.7177.1-65.60000112.7Q585 K592 H593Q585-S589 WeakPolarHBondContact O-CB 3.47Å; Q585-S589 PolarHBondContact O-N 2.96Å; Q585-S589 PolarHBondContact O-OG 3.28Å; Q585-S589 VanDerWaalsContact O-OG 3.14Å; S589-K592 PolarHBondContact O-N 3.03Å; S589-H593 PolarHBondContact O-N 3.49Å
590R77Confident77.4Confident178 Ų178107.8 Ų107.867%0.67252%0.517SS*.Hα-helixtrans-66.4-39175.1-73.6-179.8-149.2-174.84.4112.4S586 K587 E588 H593 N594S586-R590 WeakPolarHBondContact O-CG 3.35Å; S586-R590 PolarHBondContact O-N 3.3Å; S586-R590 VanDerWaalsContact O-N 3.13Å; K587-R590 PolarHBondContact O-N 3.25Å; E588-R590 PolarHBondContact O-N 3.19Å; R590-H593 PolarHBondContact O-N 3.36Å; R590-N594 WeakPolarHBondContact O-CB 3.35Å; R590-N594 PolarHBondContact O-N 2.9Å; R590-N594 PolarHBondContact O-OD1 3.25Å
591L76.9Confident76.7Confident91 Ų91106.9 Ų106.948%0.47651%0.514SS..Hα-helixtrans-63.3-46.2176.8-71.7168000111K587 E588 H593 N594 E595K587-L591 HydrophobicContact CG-CD1 4.22Å; K587-L591 VanDerWaalsContact O-CG 3.29Å; K587-L591 WeakPolarHBondContact O-CG 3.39Å; K587-L591 PolarHBondContact O-N 2.86Å; E588-L591 PolarHBondContact O-N 3.38Å; L591-H593 VanDerWaalsContact C-N 3.33Å; L591-H593 PolarHBondContact O-N 3.38Å; L591-N594 PolarHBondContact O-N 2.87Å; L591-E595 WeakPolarHBondContact O-CG 3.31Å; L591-E595 PolarHBondContact O-N 3.42Å
592K69.9Low76Confident148 Ų148111.6 Ų111.664%0.64354%0.536SS*.Hα-helixtrans-61.6-39.8176.6-73.3-176.6179-177.70113E588 S589 E595 A596E588-K592 WeakPolarHBondContact O-CG 3.22Å; E588-K592 PolarHBondContact O-N 2.9Å; S589-K592 PolarHBondContact O-N 3.03Å; K592-E595 PolarHBondContact O-N 3.43Å; K592-A596 WeakPolarHBondContact O-CB 3.39Å; K592-A596 PolarHBondContact O-N 3.42Å
593H68.7Low75.1Confident115 Ų115114.6 Ų114.653%0.53255%0.554SS.*Hα-helixtrans-65.2-45.2176.8-17145.9000111.5S589 R590 L591 E595 A596 D597S589-H593 PolarHBondContact O-N 3.49Å; R590-H593 PolarHBondContact O-N 3.36Å; L591-H593 VanDerWaalsContact C-N 3.33Å; L591-H593 PolarHBondContact O-N 3.38Å; H593-E595 VanDerWaalsContact C-N 3.29Å; H593-E595 PolarHBondContact O-N 3.1Å; H593-A596 PolarHBondContact O-N 2.97Å; H593-D597 IonicContact CE1-OD1 3.36Å; H593-D597 IonicContact CE1-OD2 3.11Å; H593-D597 IonicContact NE2-OD2 3.77Å; H593-D597 PolarHBondContact O-N 3.37Å
594N73.3Confident74.2Confident92 Ų92114 Ų11449%0.49255%0.553SS.*Hα-helixtrans-65.5-29177.5-69.1-7.5000113.5R590 L591 R598R590-N594 WeakPolarHBondContact O-CB 3.35Å; R590-N594 PolarHBondContact O-N 2.9Å; R590-N594 PolarHBondContact O-OD1 3.25Å; L591-N594 PolarHBondContact O-N 2.87Å; N594-R598 VanDerWaalsContact O-CG 3.3Å; N594-R598 WeakPolarHBondContact O-CG 3.39Å
595E71Confident73.2Confident123 Ų123113.7 Ų113.758%0.57555%0.552SS**Hα-helixtrans-75.1-38.2173.3-75.8175.6177.200112L591 K592 H593 D597 R598 N599L591-E595 WeakPolarHBondContact O-CG 3.31Å; L591-E595 PolarHBondContact O-N 3.42Å; K592-E595 PolarHBondContact O-N 3.43Å; H593-E595 VanDerWaalsContact C-N 3.29Å; H593-E595 PolarHBondContact O-N 3.1Å; E595-D597 VanDerWaalsContact C-N 3.34Å; E595-R598 PolarHBondContact O-N 3.38Å; E595-N599 PolarHBondContact O-N 3.13Å; E595-N599 PolarHBondContact O-ND2 2.78Å
596A67.6Low72.4Confident59 Ų59119.2 Ų119.249%0.48858%0.58SS.*Hα-helixtrans-66-35.5176.200000112.5K592 H593 R598 N599K592-A596 WeakPolarHBondContact O-CB 3.39Å; K592-A596 PolarHBondContact O-N 3.42Å; H593-A596 PolarHBondContact O-N 2.97Å; A596-R598 VanDerWaalsContact C-N 3.25Å; A596-R598 PolarHBondContact O-N 3.33Å; A596-N599 VanDerWaalsContact O-OXT 3.11Å
597D70Confident71.5Confident112 Ų112126.3 Ų126.360%0.59961%0.61SS**THydrogen-bonded Turntrans-75-13.7176.2-68.3-15.2000113.3H593 E595H593-D597 IonicContact CE1-OD1 3.36Å; H593-D597 IonicContact CE1-OD2 3.11Å; H593-D597 IonicContact NE2-OD2 3.77Å; H593-D597 PolarHBondContact O-N 3.37Å; E595-D597 VanDerWaalsContact C-N 3.34Å
598R67Low70.4Confident218 Ų218124.8 Ų124.882%0.82361%0.608SS**THydrogen-bonded Turntrans-92.8-14.2177.8-78.8178.9178.6-161.2-0.3113.7N594 E595 A596N594-R598 VanDerWaalsContact O-CG 3.3Å; N594-R598 WeakPolarHBondContact O-CG 3.39Å; E595-R598 PolarHBondContact O-N 3.38Å; A596-R598 VanDerWaalsContact C-N 3.25Å; A596-R598 PolarHBondContact O-N 3.33Å
599N46.9Very low69.4Low198 Ų198128.3 Ų128.3100%1.05963%0.627SS**  trans-103.20176.5-68.4-29.4000110E595 A596E595-N599 PolarHBondContact O-N 3.13Å; E595-N599 PolarHBondContact O-ND2 2.78Å; A596-N599 VanDerWaalsContact O-OXT 3.11Å

Retrieved 599 of 599 residues in 1409.1 ms (Link to these results)

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