A0A077Z065_TRITR Loading...

Malate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077Z065, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 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
1M92.2Very high96.8Very high62 Ų6251.5 Ų51.531%0.30534%0.337SS..  0-63.30-166178.8-78.100111.2A3 C4 I5 A19 L22 I23 L35 L38M1-A3 PolarHBondContact O-N 3.49Å; M1-C4 WeakPolarHBondContact O-CB 3.22Å; M1-C4 PolarHBondContact O-N 2.85Å; M1-I5 HydrophobicContact CG-CD1 3.95Å; M1-I5 PolarHBondContact O-N 3.32Å; M1-A19 HydrophobicContact CB-CB 4.25Å; M1-A19 HydrophobicContact CG-CB 3.99Å; M1-A19 VanDerWaalsContact SD-CA 3.53Å; M1-A19 HydrophobicContact SD-CB 3.8Å; M1-L22 HydrophobicContact CE-CB 3.96Å; M1-L22 HydrophobicContact CE-CD1 4.43Å; M1-L22 HydrophobicContact SD-CB 3.72Å; M1-L22 HydrophobicContact SD-CD1 3.94Å; M1-L22 HydrophobicContact SD-CG 4.38Å; M1-I23 HydrophobicContact CE-CG1 4.11Å; M1-I23 HydrophobicContact SD-CD1 4.43Å; M1-I23 HydrophobicContact SD-CG1 4.09Å; M1-L35 HydrophobicContact CE-CB 4.04Å; M1-L35 HydrophobicContact CE-CD1 3.52Å; M1-L35 HydrophobicContact CE-CG 4.34Å; M1-L38 HydrophobicContact CG-CD1 4.26Å; M1-L38 HydrophobicContact CG-CD2 4.27Å
2T97Very high96.9Very high39 Ų3957.4 Ų57.424%0.23936%0.356CS..Hα-helixtrans-50.7-47.6-179.8-45.80000113.9C4 I5 V6 A15T2-C4 VanDerWaalsContact C-N 3.28Å; T2-C4 PolarHBondContact O-N 3.33Å; T2-I5 PolarHBondContact O-N 3.31Å; T2-V6 HydrophobicContact CG2-CG2 4.45Å; T2-V6 WeakPolarHBondContact O-CG2 3.32Å; T2-V6 PolarHBondContact O-N 3.37Å; T2-A15 HydrophobicContact CG2-CB 3.79Å
3A96.8Very high97Very high76 Ų7662.7 Ų62.763%0.62837%0.374SS*.Hα-helixtrans-57.8-36.8177.900000113.5M1 N7M1-A3 PolarHBondContact O-N 3.49Å; A3-N7 WeakPolarHBondContact O-CB 3.43Å; A3-N7 PolarHBondContact O-N 3.11Å
4C95Very high97.2Very high62 Ų6258.6 Ų58.642%0.41935%0.349SS..Hα-helixtrans-65.7-40.5176.3-53.90000111.4M1 T2 N7 A8 I42M1-C4 WeakPolarHBondContact O-CB 3.22Å; M1-C4 PolarHBondContact O-N 2.85Å; T2-C4 VanDerWaalsContact C-N 3.28Å; T2-C4 PolarHBondContact O-N 3.33Å; C4-N7 PolarHBondContact O-N 2.68Å; C4-A8 PolarHBondContact O-N 3.18Å; C4-A8 VanDerWaalsContact O-N 3.1Å; C4-I42 HydrophobicContact CB-CD1 4.35Å
5I97.9Very high97.3Very high0 Ų054.7 Ų54.70%033%0.326CS..Hα-helixtrans-71.8-39.4-178.8-58.2159.5000110.4M1 T2 A8 G9 A10 A15 L18 A19 L38 L45M1-I5 HydrophobicContact CG-CD1 3.95Å; M1-I5 PolarHBondContact O-N 3.32Å; T2-I5 PolarHBondContact O-N 3.31Å; I5-A8 PolarHBondContact O-N 3.19Å; I5-G9 PolarHBondContact O-N 2.63Å; I5-A10 HydrophobicContact CG2-CB 3.76Å; I5-A10 WeakPolarHBondContact O-CB 3.27Å; I5-A10 PolarHBondContact O-N 3.2Å; I5-A15 HydrophobicContact CB-CB 3.84Å; I5-A15 HydrophobicContact CG2-CB 3.7Å; I5-L18 HydrophobicContact CD1-CB 4.12Å; I5-L18 HydrophobicContact CD1-CD2 3.76Å; I5-L18 HydrophobicContact CD1-CG 3.88Å; I5-L18 HydrophobicContact CG1-CD2 4.04Å; I5-L18 HydrophobicContact CG2-CD2 3.93Å; I5-A19 HydrophobicContact CD1-CB 4.23Å; I5-L38 HydrophobicContact CD1-CD1 4Å; I5-L38 HydrophobicContact CG1-CD1 3.64Å; I5-L45 HydrophobicContact CG2-CD1 3.93Å
6V98.2Very high97.3Very high54 Ų5453.5 Ų53.533%0.32732%0.321SS..Hα-helixtrans-61.5-45172172.40000110.9T2 A8 G9 A10 A15T2-V6 HydrophobicContact CG2-CG2 4.45Å; T2-V6 WeakPolarHBondContact O-CG2 3.32Å; T2-V6 PolarHBondContact O-N 3.37Å; V6-A8 PolarHBondContact O-N 2.71Å; V6-G9 PolarHBondContact O-N 3.29Å; V6-A10 WeakPolarHBondContact CA-O 3.19Å; V6-A15 HydrophobicContact CG2-CB 3.52Å
7N97.2Very high97.4Very high148 Ų14852.6 Ų52.679%0.79131%0.313SS*.Hα-helixtrans-63.8-23.8177.7-168.467.5000113.1A3 C4 G9A3-N7 WeakPolarHBondContact O-CB 3.43Å; A3-N7 PolarHBondContact O-N 3.11Å; C4-N7 PolarHBondContact O-N 2.68Å; N7-G9 VanDerWaalsContact C-N 3.27Å
8A96.8Very high97.5Very high8 Ų849.7 Ų49.77%0.06630%0.296CS..THydrogen-bonded Turntrans-81.70.617300000113.6C4 I5 V6 I42 L45 N46C4-A8 PolarHBondContact O-N 3.18Å; C4-A8 VanDerWaalsContact O-N 3.1Å; I5-A8 PolarHBondContact O-N 3.19Å; V6-A8 PolarHBondContact O-N 2.71Å; A8-I42 HydrophobicContact CB-CB 4.33Å; A8-I42 HydrophobicContact CB-CG1 4.13Å; A8-I42 HydrophobicContact CB-CG2 4.03Å; A8-L45 HydrophobicContact CB-CB 4.14Å; A8-L45 HydrophobicContact CB-CD1 4.02Å; A8-L45 WeakPolarHBondContact O-CB 3.47Å; A8-N46 PolarHBondContact O-OD1 2.7Å
9G96.9Very high97.5Very high56 Ų5647.2 Ų47.258%0.57728%0.281SS*.THydrogen-bonded Turntrans106.810.1173.800000115.8I5 V6 N7I5-G9 PolarHBondContact O-N 2.63Å; V6-G9 PolarHBondContact O-N 3.29Å; N7-G9 VanDerWaalsContact C-N 3.27Å
10A98.3Very high97.6Very high7 Ų749.5 Ų49.56%0.05829%0.292CS..  trans-85.614917200000112.9I5 V6 H14 A15 L45 G52 L74I5-A10 HydrophobicContact CG2-CB 3.76Å; I5-A10 WeakPolarHBondContact O-CB 3.27Å; I5-A10 PolarHBondContact O-N 3.2Å; V6-A10 WeakPolarHBondContact CA-O 3.19Å; A10-H14 HydrophobicContact CB-CB 4.36Å; A10-A15 HydrophobicContact CB-CB 4.22Å; A10-L45 HydrophobicContact CB-CD1 4.27Å; A10-L45 HydrophobicContact CB-CD2 4.47Å; A10-G52 CarbonylContact C-O 3.53Å; A10-G52 VanDerWaalsContact CA-O 3.29Å; A10-G52 WeakPolarHBondContact CA-O 3.46Å; A10-L74 HydrophobicContact CB-CD1 4.32Å
11D98.4Very high97.6Very high55 Ų5547.1 Ų47.129%0.29428%0.278SS..  trans-69.1163.3166.675.639.6000111.2Q13 H14 A15 G52D11-Q13 PolarHBondContact O-N 2.9Å; D11-Q13 WeakPolarHBondContact OD1-CA 3.27Å; D11-Q13 WeakPolarHBondContact OD1-CB 3.49Å; D11-Q13 PolarHBondContact OD1-N 2.85Å; D11-H14 VanDerWaalsContact CG-CD2 3.48Å; D11-H14 PolarHBondContact O-N 2.94Å; D11-H14 WeakPolarHBondContact OD1-CB 3.49Å; D11-H14 IonicContact OD1-CD2 3.23Å; D11-H14 PolarHBondContact OD1-CD2 3.24Å; D11-H14 IonicContact OD1-CG 3.52Å; D11-H14 PolarHBondContact OD1-N 2.99Å; D11-H14 IonicContact OD2-CD2 2.93Å; D11-H14 PolarHBondContact OD2-CD2 3.5Å; D11-H14 VanDerWaalsContact OD2-CD2 3.23Å; D11-H14 IonicContact OD2-CG 3.3Å; D11-H14 IonicContact OD2-NE2 3.44Å; D11-A15 WeakPolarHBondContact O-CB 3.46Å; D11-A15 PolarHBondContact O-N 3.47Å; D11-G52 PolarHBondContact N-O 3.23Å
12Q98.6Very high97.9Very high122 Ų12244.2 Ų44.257%0.5726%0.264SS*.Hα-helixtrans-58.5-36.1-175.8-177.96244.300112.8S16Q12-S16 PolarHBondContact NE2-OG 2.85Å; Q12-S16 WeakPolarHBondContact O-CB 3.2Å; Q12-S16 PolarHBondContact O-N 2.9Å; Q12-S16 PolarHBondContact O-OG 3.17Å
13Q98.3Very high97.9Very high126 Ų12646.1 Ų46.159%0.58927%0.271SS*.Hα-helixtrans-74.2-47.4-176.2-179.1177.1-7.200110.5D11 A15 S16 M17D11-Q13 PolarHBondContact O-N 2.9Å; D11-Q13 WeakPolarHBondContact OD1-CA 3.27Å; D11-Q13 WeakPolarHBondContact OD1-CB 3.49Å; D11-Q13 PolarHBondContact OD1-N 2.85Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.45Å; Q13-S16 PolarHBondContact O-N 2.93Å; Q13-M17 HydrophobicContact CG-CE 3.77Å; Q13-M17 HydrophobicContact CG-SD 4.45Å; Q13-M17 WeakPolarHBondContact O-CG 3.34Å; Q13-M17 PolarHBondContact O-N 3.06Å
14H98.6Very high98Very high6 Ų643.4 Ų43.43%0.02825%0.249CC..Hα-helixtrans-60.6-45.1176.4-76.7-138.3000110.9A10 D11 S16 M17 L18 G52 S53 G54 L74 V77A10-H14 HydrophobicContact CB-CB 4.36Å; D11-H14 VanDerWaalsContact CG-CD2 3.48Å; D11-H14 PolarHBondContact O-N 2.94Å; D11-H14 WeakPolarHBondContact OD1-CB 3.49Å; D11-H14 IonicContact OD1-CD2 3.23Å; D11-H14 PolarHBondContact OD1-CD2 3.24Å; D11-H14 IonicContact OD1-CG 3.52Å; D11-H14 PolarHBondContact OD1-N 2.99Å; D11-H14 IonicContact OD2-CD2 2.93Å; D11-H14 PolarHBondContact OD2-CD2 3.5Å; D11-H14 VanDerWaalsContact OD2-CD2 3.23Å; D11-H14 IonicContact OD2-CG 3.3Å; D11-H14 IonicContact OD2-NE2 3.44Å; H14-S16 VanDerWaalsContact C-N 3.32Å; H14-S16 PolarHBondContact O-N 3.47Å; H14-M17 PolarHBondContact O-N 3.36Å; H14-L18 PolarHBondContact O-N 3.18Å; H14-G52 PolarHBondContact ND1-O 3.46Å; H14-S53 VanDerWaalsContact CE1-CA 3.48Å; H14-S53 WeakPolarHBondContact CE1-CA 3.42Å; H14-G54 PolarHBondContact CE1-N 3.05Å; H14-G54 PolarHBondContact CE1-O 3.11Å; H14-G54 VanDerWaalsContact CE1-O 3.27Å; H14-G54 PolarHBondContact NE2-O 3.35Å; H14-L74 HydrophobicContact CB-CD1 4.18Å; H14-V77 HydrophobicContact CB-CG2 3.92Å
15A98.6Very high98.1Very high0 Ų040.5 Ų40.50%023%0.229CC..Hα-helixtrans-61.5-38.7175.900000112.9T2 I5 V6 A10 D11 Q13 A19T2-A15 HydrophobicContact CG2-CB 3.79Å; I5-A15 HydrophobicContact CB-CB 3.84Å; I5-A15 HydrophobicContact CG2-CB 3.7Å; V6-A15 HydrophobicContact CG2-CB 3.52Å; A10-A15 HydrophobicContact CB-CB 4.22Å; D11-A15 WeakPolarHBondContact O-CB 3.46Å; D11-A15 PolarHBondContact O-N 3.47Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.45Å; A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 3.48Å
16S98.6Very high98Very high35 Ų3540.5 Ų40.525%0.24523%0.229CC..Hα-helixtrans-69.5-45.4178.1-56.80000111.1Q12 Q13 H14 L18 A19 D20Q12-S16 PolarHBondContact NE2-OG 2.85Å; Q12-S16 WeakPolarHBondContact O-CB 3.2Å; Q12-S16 PolarHBondContact O-N 2.9Å; Q12-S16 PolarHBondContact O-OG 3.17Å; Q13-S16 PolarHBondContact O-N 2.93Å; H14-S16 VanDerWaalsContact C-N 3.32Å; H14-S16 PolarHBondContact O-N 3.47Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 3.48Å; S16-A19 PolarHBondContact O-N 3.1Å; S16-A19 VanDerWaalsContact O-N 3.09Å; S16-D20 PolarHBondContact O-N 3.09Å
17M98.5Very high98Very high39 Ų3940.9 Ų40.919%0.19223%0.225CC..Hα-helixtrans-59.7-38.9176.3-69.7176.117800112.7Q13 H14 V21 P76 V77Q13-M17 HydrophobicContact CG-CE 3.77Å; Q13-M17 HydrophobicContact CG-SD 4.45Å; Q13-M17 WeakPolarHBondContact O-CG 3.34Å; Q13-M17 PolarHBondContact O-N 3.06Å; H14-M17 PolarHBondContact O-N 3.36Å; M17-V21 PolarHBondContact O-N 3.31Å; M17-P76 HydrophobicContact CB-CB 4.27Å; M17-V77 HydrophobicContact SD-CB 4.34Å; M17-V77 HydrophobicContact SD-CG1 4.5Å; M17-V77 HydrophobicContact SD-CG2 3.94Å
18L98.6Very high98Very high0 Ų034.7 Ų34.70%019%0.191CC..Hα-helixtrans-67-46173.2176.661000111.2I5 H14 S16 D20 V21 L22 Y41 L74 P76I5-L18 HydrophobicContact CD1-CB 4.12Å; I5-L18 HydrophobicContact CD1-CD2 3.76Å; I5-L18 HydrophobicContact CD1-CG 3.88Å; I5-L18 HydrophobicContact CG1-CD2 4.04Å; I5-L18 HydrophobicContact CG2-CD2 3.93Å; H14-L18 PolarHBondContact O-N 3.18Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 3.48Å; L18-D20 VanDerWaalsContact C-N 3.3Å; L18-D20 PolarHBondContact O-N 3.46Å; L18-V21 HydrophobicContact CD1-CG1 4.3Å; L18-V21 VanDerWaalsContact O-CG1 3.25Å; L18-V21 WeakPolarHBondContact O-CG1 3.35Å; L18-V21 PolarHBondContact O-N 3.13Å; L18-L22 HydrophobicContact CD1-CD1 4.08Å; L18-L22 HydrophobicContact CD1-CD2 4.3Å; L18-L22 HydrophobicContact CD1-CG 4.02Å; L18-L22 HydrophobicContact CG-CD1 4.14Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.17Å; L18-Y41 HydrophobicContact CD1-CD1 3.83Å; L18-Y41 HydrophobicContact CD1-CD2 3.96Å; L18-Y41 HydrophobicContact CD1-CE1 3.63Å; L18-Y41 HydrophobicContact CD1-CE2 3.83Å; L18-Y41 HydrophobicContact CD1-CG 3.97Å; L18-Y41 HydrophobicContact CD2-CD1 3.86Å; L18-Y41 HydrophobicContact CD2-CD2 4.23Å; L18-Y41 HydrophobicContact CD2-CE1 4.49Å; L18-Y41 HydrophobicContact CD2-CG 3.68Å; L18-Y41 HydrophobicContact CG-CG 4.47Å; L18-L74 HydrophobicContact CB-CD1 4.35Å; L18-L74 HydrophobicContact CD2-CD1 4.25Å; L18-L74 HydrophobicContact CD2-CD2 4.06Å; L18-P76 HydrophobicContact CD1-CG 3.94Å
19A98.4Very high98Very high1 Ų135.6 Ų35.61%0.00820%0.201CC..Hα-helixtrans-59.7-42.2179.400000112.3M1 I5 A15 S16 V21 L22 I23M1-A19 HydrophobicContact CB-CB 4.25Å; M1-A19 HydrophobicContact CG-CB 3.99Å; M1-A19 VanDerWaalsContact SD-CA 3.53Å; M1-A19 HydrophobicContact SD-CB 3.8Å; I5-A19 HydrophobicContact CD1-CB 4.23Å; A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 3.48Å; S16-A19 PolarHBondContact O-N 3.1Å; S16-A19 VanDerWaalsContact O-N 3.09Å; A19-V21 PolarHBondContact O-N 3.47Å; A19-L22 PolarHBondContact O-N 3.07Å; A19-I23 WeakPolarHBondContact O-CB 3.42Å; A19-I23 VanDerWaalsContact O-CG1 3.26Å; A19-I23 WeakPolarHBondContact O-CG1 3.41Å; A19-I23 PolarHBondContact O-N 3.07Å
20D98.3Very high97.9Very high94 Ų9435 Ų3550%0.50318%0.183SC..Hα-helixtrans-59.7-45.7-179.3-69.8-19.2000112S16 L18 A24S16-D20 PolarHBondContact O-N 3.09Å; L18-D20 VanDerWaalsContact C-N 3.3Å; L18-D20 PolarHBondContact O-N 3.46Å; D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 3.4Å
21V98.4Very high97.5Very high0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-70.2-35.4179.669.60000112.3M17 L18 A19 A24 A25 P76 I108 H111M17-V21 PolarHBondContact O-N 3.31Å; L18-V21 HydrophobicContact CD1-CG1 4.3Å; L18-V21 VanDerWaalsContact O-CG1 3.25Å; L18-V21 WeakPolarHBondContact O-CG1 3.35Å; L18-V21 PolarHBondContact O-N 3.13Å; A19-V21 PolarHBondContact O-N 3.47Å; V21-A24 PolarHBondContact O-N 2.91Å; V21-A25 WeakPolarHBondContact O-CB 3.47Å; V21-A25 PolarHBondContact O-N 3.12Å; V21-P76 HydrophobicContact CB-CG 4.46Å; V21-P76 HydrophobicContact CG1-CB 4.02Å; V21-P76 HydrophobicContact CG1-CG 3.43Å; V21-P76 VanDerWaalsContact CG1-CG 3.43Å; V21-I108 HydrophobicContact CG2-CG1 4.17Å; V21-H111 HydrophobicContact CG2-CB 3.82Å
22L97.9Very high97.1Very high0 Ų035.1 Ų35.10%018%0.182CC..Hα-helixtrans-69.3-42.8178.5-63.2-175.2000111M1 L18 A19 A25 D26 H33 G34 L38 Y41M1-L22 HydrophobicContact CE-CB 3.96Å; M1-L22 HydrophobicContact CE-CD1 4.43Å; M1-L22 HydrophobicContact SD-CB 3.72Å; M1-L22 HydrophobicContact SD-CD1 3.94Å; M1-L22 HydrophobicContact SD-CG 4.38Å; L18-L22 HydrophobicContact CD1-CD1 4.08Å; L18-L22 HydrophobicContact CD1-CD2 4.3Å; L18-L22 HydrophobicContact CD1-CG 4.02Å; L18-L22 HydrophobicContact CG-CD1 4.14Å; L18-L22 HydrophobicContact CG-CG 4.42Å; L18-L22 WeakPolarHBondContact O-CG 3.46Å; L18-L22 PolarHBondContact O-N 3.17Å; A19-L22 PolarHBondContact O-N 3.07Å; L22-A25 PolarHBondContact O-N 3.19Å; L22-D26 PolarHBondContact O-N 3Å; L22-D26 VanDerWaalsContact O-N 3.14Å; L22-H33 WeakPolarHBondContact CD2-O 3.39Å; L22-G34 WeakPolarHBondContact O-CA 3.38Å; L22-L38 HydrophobicContact CD1-CB 4.45Å; L22-L38 HydrophobicContact CD1-CD1 4.21Å; L22-Y41 HydrophobicContact CD1-CD2 4.27Å; L22-Y41 HydrophobicContact CD1-CE2 4.38Å; L22-Y41 HydrophobicContact CD2-CD2 4.45Å; L22-Y41 HydrophobicContact CD2-CE2 3.76Å
23I97.8Very high96.9Very high79 Ų7931.3 Ų31.341%0.40516%0.164SC..Hα-helixtrans-64.1-44.3174.4-67.7166000110M1 A19 A25 D26 Y27 I314M1-I23 HydrophobicContact CE-CG1 4.11Å; M1-I23 HydrophobicContact SD-CD1 4.43Å; M1-I23 HydrophobicContact SD-CG1 4.09Å; A19-I23 WeakPolarHBondContact O-CB 3.42Å; A19-I23 VanDerWaalsContact O-CG1 3.26Å; A19-I23 WeakPolarHBondContact O-CG1 3.41Å; A19-I23 PolarHBondContact O-N 3.07Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 3.4Å; I23-D26 PolarHBondContact O-N 2.96Å; I23-Y27 WeakPolarHBondContact O-CB 3.28Å; I23-Y27 PolarHBondContact O-N 3.19Å; I23-I314 HydrophobicContact CG2-CD1 4.26Å
24A98Very high96.6Very high20 Ų2025.3 Ų25.317%0.16514%0.136CC..Hα-helixtrans-59.4-39.2176.700000111.9D20 V21 R28D20-A24 WeakPolarHBondContact O-CB 3.42Å; D20-A24 PolarHBondContact O-N 3.4Å; V21-A24 PolarHBondContact O-N 2.91Å; A24-R28 WeakPolarHBondContact O-CB 3.41Å; A24-R28 WeakPolarHBondContact O-CG 3.44Å; A24-R28 PolarHBondContact O-N 3.03Å; A24-R28 VanDerWaalsContact O-N 3.11Å
25A97.5Very high96.3Very high0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-61.9-49.8175.600000111.9V21 L22 I23 R28 G29 H30 H33 I108V21-A25 WeakPolarHBondContact O-CB 3.47Å; V21-A25 PolarHBondContact O-N 3.12Å; L22-A25 PolarHBondContact O-N 3.19Å; I23-A25 VanDerWaalsContact C-N 3.28Å; I23-A25 PolarHBondContact O-N 3.4Å; A25-R28 PolarHBondContact O-N 3.45Å; A25-G29 PolarHBondContact O-N 3.12Å; A25-H30 HydrophobicContact CB-CB 4.41Å; A25-H30 CarbonylContact O-C 3.51Å; A25-H30 WeakPolarHBondContact O-CA 3.21Å; A25-H30 WeakPolarHBondContact O-CB 3.33Å; A25-H30 PolarHBondContact O-N 3.46Å; A25-H33 HydrophobicContact CB-CB 4.07Å; A25-I108 HydrophobicContact CB-CD1 4.31Å; A25-I108 HydrophobicContact CB-CG1 4.16Å; A25-I108 HydrophobicContact CB-CG2 3.75Å
26D96.7Very high95.8Very high0 Ų027.7 Ų27.70%015%0.148CC..Hα-helixtrans-66.6-42179.3-71.6-30.7000112.3L22 I23 R28 G29 Y31 G34 L35 H304 I314 Y316L22-D26 PolarHBondContact O-N 3Å; L22-D26 VanDerWaalsContact O-N 3.14Å; I23-D26 PolarHBondContact O-N 2.96Å; D26-R28 PolarHBondContact O-N 3.5Å; D26-G29 PolarHBondContact O-N 2.9Å; D26-Y31 HydrophobicContact CB-CD1 4.31Å; D26-Y31 HydrophobicContact CB-CE1 4.34Å; D26-Y31 VanDerWaalsContact OD1-CA 3.3Å; D26-Y31 WeakPolarHBondContact OD1-CA 3.46Å; D26-Y31 WeakPolarHBondContact OD1-CD1 3.09Å; D26-G34 WeakPolarHBondContact OD1-CA 3.38Å; D26-L35 WeakPolarHBondContact OD2-CB 3.31Å; D26-L35 PolarHBondContact OD2-N 3.26Å; D26-H304 PolarHBondContact O-CE1 3.09Å; D26-H304 VanDerWaalsContact O-CE1 3.22Å; D26-I314 HydrophobicContact CB-CD1 3.91Å; D26-I314 HydrophobicContact CB-CG2 3.86Å; D26-Y316 PolarHBondContact OD2-OH 3.22Å
27Y98.2Very high95.5Very high62 Ų6226.3 Ų26.324%0.24314%0.138CC..Hα-helixtrans-59.5-32177.5-179.1-134.2000112.4I23 H304 M305 C308 D309I23-Y27 WeakPolarHBondContact O-CB 3.28Å; I23-Y27 PolarHBondContact O-N 3.19Å; Y27-H304 PolarHBondContact O-ND1 2.85Å; Y27-M305 HydrophobicContact CD1-CB 4.45Å; Y27-M305 HydrophobicContact CD1-CE 3.97Å; Y27-M305 HydrophobicContact CD1-CG 3.74Å; Y27-M305 HydrophobicContact CD1-SD 4.46Å; Y27-M305 HydrophobicContact CD2-CB 4.38Å; Y27-M305 HydrophobicContact CD2-CG 4.24Å; Y27-M305 HydrophobicContact CE1-CB 3.93Å; Y27-M305 HydrophobicContact CE1-CE 3.3Å; Y27-M305 HydrophobicContact CE1-CG 3.61Å; Y27-M305 HydrophobicContact CE1-SD 4.22Å; Y27-M305 HydrophobicContact CE2-CB 3.84Å; Y27-M305 HydrophobicContact CE2-CG 4.12Å; Y27-M305 WeakPolarHBondContact CE2-O 3.47Å; Y27-M305 HydrophobicContact CG-CG 4.05Å; Y27-M305 WeakPolarHBondContact O-CG 3.43Å; Y27-C308 HydrophobicContact CD2-CB 3.58Å; Y27-C308 HydrophobicContact CE2-CB 3.69Å; Y27-D309 WeakPolarHBondContact CE2-OD1 3.43Å; Y27-D309 PolarHBondContact OH-OD1 2.89Å; Y27-D309 PolarHBondContact OH-OD2 3.4Å
28R97.7Very high95.3Very high19 Ų1925.4 Ų25.47%0.07213%0.134CC..THydrogen-bonded Turntrans-86.4-2.2175-67.3-173.158.555.8-1.6114.2A24 A25 D26 E301 M305A24-R28 WeakPolarHBondContact O-CB 3.41Å; A24-R28 WeakPolarHBondContact O-CG 3.44Å; A24-R28 PolarHBondContact O-N 3.03Å; A24-R28 VanDerWaalsContact O-N 3.11Å; A25-R28 PolarHBondContact O-N 3.45Å; D26-R28 PolarHBondContact O-N 3.5Å; R28-E301 HydrophobicContact CB-CB 4Å; R28-E301 HydrophobicContact CB-CG 4.19Å; R28-E301 HydrophobicContact CG-CB 4.45Å; R28-E301 VanDerWaalsContact NH2-CG 3.3Å; R28-E301 IonicContact NH2-OE2 3.45Å; R28-E301 WeakPolarHBondContact O-CB 3.32Å; R28-E301 VanDerWaalsContact O-CG 3.3Å; R28-E301 WeakPolarHBondContact O-CG 3.41Å; R28-M305 HydrophobicContact CG-CG 4.11Å; R28-M305 HydrophobicContact CG-SD 3.91Å; R28-M305 PolarHBondContact NH1-SD 2.85Å
29G95.6Very high94.9Very high26 Ų2628.5 Ų28.527%0.26815%0.15SC..THydrogen-bonded Turntrans85.711.2179.100000114.2A25 D26 Y31 H304A25-G29 PolarHBondContact O-N 3.12Å; D26-G29 PolarHBondContact O-N 2.9Å; G29-Y31 VanDerWaalsContact C-N 3.33Å; G29-Y31 PolarHBondContact O-N 2.85Å; G29-H304 VanDerWaalsContact CA-CE1 3.43Å; G29-H304 WeakPolarHBondContact CA-CE1 3.05Å; G29-H304 WeakPolarHBondContact CA-ND1 3.24Å; G29-H304 PolarHBondContact N-CE1 2.72Å; G29-H304 PolarHBondContact N-ND1 2.93Å; G29-H304 VanDerWaalsContact N-ND1 3.14Å
30H94.4Very high94.7Very high43 Ų4328.8 Ų28.820%0.19915%0.151CC..  trans-93.458.3175.3-62.3-45.2000112A25 S32 H33 I108 E301A25-H30 HydrophobicContact CB-CB 4.41Å; A25-H30 CarbonylContact O-C 3.51Å; A25-H30 WeakPolarHBondContact O-CA 3.21Å; A25-H30 WeakPolarHBondContact O-CB 3.33Å; A25-H30 PolarHBondContact O-N 3.46Å; H30-S32 PolarHBondContact O-N 3.01Å; H30-H33 PolarHBondContact O-N 3.36Å; H30-I108 HydrophobicContact CB-CG2 4.02Å; H30-E301 IonicContact CE1-OE1 3.21Å; H30-E301 PolarHBondContact CE1-OE1 3.2Å; H30-E301 WeakPolarHBondContact NE2-CG 3.32Å; H30-E301 IonicContact NE2-OE1 2.84Å
31Y91.2Very high94.6Very high42 Ų4224.6 Ų24.617%0.16513%0.128CC..G310 helixtrans-54.3-21.4-177.7-65-83.3000115.5D26 G29 H33 N36 H304 I314 P315 Y316D26-Y31 HydrophobicContact CB-CD1 4.31Å; D26-Y31 HydrophobicContact CB-CE1 4.34Å; D26-Y31 VanDerWaalsContact OD1-CA 3.3Å; D26-Y31 WeakPolarHBondContact OD1-CA 3.46Å; D26-Y31 WeakPolarHBondContact OD1-CD1 3.09Å; G29-Y31 VanDerWaalsContact C-N 3.33Å; G29-Y31 PolarHBondContact O-N 2.85Å; Y31-H33 PolarHBondContact O-N 3Å; Y31-N36 WeakPolarHBondContact O-CB 3.48Å; Y31-N36 PolarHBondContact O-ND2 3.36Å; Y31-H304 AromaticContact CE2-NE2 3.63Å; Y31-H304 AromaticContact CZ-CE1 3.94Å; Y31-H304 AromaticContact CZ-NE2 3.81Å; Y31-H304 PolarHBondContact OH-CE1 2.91Å; Y31-H304 PolarHBondContact OH-NE2 3.29Å; Y31-I314 HydrophobicContact CE1-CG2 3.87Å; Y31-P315 WeakPolarHBondContact CE1-O 3.25Å; Y31-P315 VanDerWaalsContact CZ-O 3.23Å; Y31-P315 PolarHBondContact OH-O 3Å; Y31-Y316 AromaticContact CD1-CD1 3.95Å; Y31-Y316 HydrophobicContact CD1-CD1 3.95Å; Y31-Y316 AromaticContact CD1-CE1 3.75Å; Y31-Y316 HydrophobicContact CD1-CE1 3.75Å; Y31-Y316 AromaticContact CE1-CD1 4Å; Y31-Y316 HydrophobicContact CE1-CD1 4Å; Y31-Y316 AromaticContact CE1-CE1 3.93Å; Y31-Y316 HydrophobicContact CE1-CE1 3.93Å; Y31-Y316 HydrophobicContact CE1-CG 4.48Å
32S89.3Confident94.4Very high23 Ų2326.5 Ų26.516%0.16114%0.138CC..G310 helixtrans-69.7-9175.461.30000114.3H30 R37H30-S32 PolarHBondContact O-N 3.01Å; S32-R37 WeakPolarHBondContact O-CG 3.23Å; S32-R37 VanDerWaalsContact O-CZ 3.27Å; S32-R37 PolarHBondContact O-NE 2.95Å; S32-R37 PolarHBondContact O-NH2 3.32Å
33H93.5Very high94.3Very high43 Ų4330.8 Ų30.820%0.19916%0.161CC..G310 helixtrans-130.35.6-178.5-62.797.6000113.2L22 A25 H30 Y31 H105 I108L22-H33 WeakPolarHBondContact CD2-O 3.39Å; A25-H33 HydrophobicContact CB-CB 4.07Å; H30-H33 PolarHBondContact O-N 3.36Å; Y31-H33 PolarHBondContact O-N 3Å; H33-H105 AromaticContact CD2-CE1 3.84Å; H33-H105 AromaticContact CD2-NE2 3.84Å; H33-I108 HydrophobicContact CB-CG2 3.61Å
34G93.5Very high94.2Very high0 Ų027.2 Ų27.20%014%0.143CC..THydrogen-bonded Turntrans-97.9-134.5174.600000112.8L22 D26 N36 R37L22-G34 WeakPolarHBondContact O-CA 3.38Å; D26-G34 WeakPolarHBondContact OD1-CA 3.38Å; G34-N36 PolarHBondContact O-N 3.16Å; G34-R37 PolarHBondContact O-N 3.41Å
35L92.7Very high94.2Very high46 Ų4626.9 Ų26.924%0.24114%0.138CC..G310 helixtrans-54.1-30.8-174.5-177.364.6000113.4M1 D26 R37 L38 Y316 M324M1-L35 HydrophobicContact CE-CB 4.04Å; M1-L35 HydrophobicContact CE-CD1 3.52Å; M1-L35 HydrophobicContact CE-CG 4.34Å; D26-L35 WeakPolarHBondContact OD2-CB 3.31Å; D26-L35 PolarHBondContact OD2-N 3.26Å; L35-R37 PolarHBondContact O-N 3.22Å; L35-L38 HydrophobicContact CD1-CB 4.15Å; L35-L38 HydrophobicContact CD1-CD2 3.67Å; L35-L38 VanDerWaalsContact O-CB 3.31Å; L35-L38 WeakPolarHBondContact O-CB 3.17Å; L35-L38 PolarHBondContact O-N 3.03Å; L35-Y316 HydrophobicContact CB-CE1 4.21Å; L35-Y316 WeakPolarHBondContact CB-OH 3.36Å; L35-Y316 HydrophobicContact CD2-CE1 4.35Å; L35-M324 HydrophobicContact CB-SD 4.16Å; L35-M324 HydrophobicContact CD2-CE 3.82Å; L35-M324 HydrophobicContact CD2-SD 3.61Å; L35-M324 HydrophobicContact CG-CE 4.4Å; L35-M324 HydrophobicContact CG-SD 3.52Å; L35-M324 VanDerWaalsContact CG-SD 3.52Å
36N88.1Confident94.1Very high9 Ų931.6 Ų31.65%0.04816%0.163CC..G310 helixtrans-61.3-3.8174.8-69.8-48.3000114.9Y31 G34 Q320Y31-N36 WeakPolarHBondContact O-CB 3.48Å; Y31-N36 PolarHBondContact O-ND2 3.36Å; G34-N36 PolarHBondContact O-N 3.16Å; N36-Q320 PolarHBondContact ND2-NE2 2.9Å
37R91.1Very high93.9Very high7 Ų733.1 Ų33.13%0.02618%0.179CC..G310 helixtrans-110.3-4.9175.1-62.2-60.3176.2-136.27.5113.7S32 G34 L35 D39 M40 Y41 E175S32-R37 WeakPolarHBondContact O-CG 3.23Å; S32-R37 VanDerWaalsContact O-CZ 3.27Å; S32-R37 PolarHBondContact O-NE 2.95Å; S32-R37 PolarHBondContact O-NH2 3.32Å; G34-R37 PolarHBondContact O-N 3.41Å; L35-R37 PolarHBondContact O-N 3.22Å; R37-D39 VanDerWaalsContact C-N 3.27Å; R37-D39 PolarHBondContact O-N 2.74Å; R37-M40 WeakPolarHBondContact O-CB 3.43Å; R37-M40 PolarHBondContact O-N 2.97Å; R37-M40 VanDerWaalsContact O-N 3.15Å; R37-Y41 HydrophobicContact CB-CD2 4.25Å; R37-Y41 HydrophobicContact CB-CE2 3.87Å; R37-Y41 WeakPolarHBondContact O-CD2 3.45Å; R37-Y41 PolarHBondContact O-N 3.3Å; R37-E175 IonicContact CZ-OE2 2.77Å; R37-E175 VanDerWaalsContact CZ-OE2 3.27Å; R37-E175 IonicContact NH1-OE1 3.6Å; R37-E175 IonicContact NH1-OE2 3.6Å; R37-E175 PolarHBondContact NH1-OE2 2.84Å; R37-E175 IonicContact NH2-OE2 3.6Å; R37-E175 PolarHBondContact NH2-OE2 3.32Å
38L93.6Very high93.7Very high20 Ų2034.8 Ų34.811%0.10520%0.2CC..Hα-helixtrans-59.3-38.8-173.3-179.761.8000112.5M1 I5 L22 L35 M40 Y41 I42M1-L38 HydrophobicContact CG-CD1 4.26Å; M1-L38 HydrophobicContact CG-CD2 4.27Å; I5-L38 HydrophobicContact CD1-CD1 4Å; I5-L38 HydrophobicContact CG1-CD1 3.64Å; L22-L38 HydrophobicContact CD1-CB 4.45Å; L22-L38 HydrophobicContact CD1-CD1 4.21Å; L35-L38 HydrophobicContact CD1-CB 4.15Å; L35-L38 HydrophobicContact CD1-CD2 3.67Å; L35-L38 VanDerWaalsContact O-CB 3.31Å; L35-L38 WeakPolarHBondContact O-CB 3.17Å; L35-L38 PolarHBondContact O-N 3.03Å; L38-M40 VanDerWaalsContact C-N 3.34Å; L38-M40 PolarHBondContact O-N 2.95Å; L38-Y41 PolarHBondContact O-N 2.7Å; L38-I42 HydrophobicContact CD1-CD1 4.22Å; L38-I42 HydrophobicContact CD1-CG1 4.37Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 3.87Å; L38-I42 HydrophobicContact CG-CG1 4.43Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.08Å
39D91.6Very high93.6Very high64 Ų6436.1 Ų36.134%0.34221%0.206SC..Hα-helixtrans-55.4-46.4175.463.5-40000112.4R37 Y41 I42 N43R37-D39 VanDerWaalsContact C-N 3.27Å; R37-D39 PolarHBondContact O-N 2.74Å; D39-Y41 VanDerWaalsContact C-N 3.34Å; D39-Y41 PolarHBondContact O-N 2.75Å; D39-I42 PolarHBondContact O-N 3.5Å; D39-N43 WeakPolarHBondContact O-CB 3.39Å; D39-N43 VanDerWaalsContact O-CG 3.26Å; D39-N43 PolarHBondContact O-N 3.48Å; D39-N43 PolarHBondContact O-ND2 3.27Å
40M93.4Very high93.7Very high8 Ų835.1 Ų35.14%0.03920%0.195CC..Hα-helixtrans-60-44.7178.1-177.9-170.575.100111.4R37 L38 N43 D44 H105 W249 K250R37-M40 WeakPolarHBondContact O-CB 3.43Å; R37-M40 PolarHBondContact O-N 2.97Å; R37-M40 VanDerWaalsContact O-N 3.15Å; L38-M40 VanDerWaalsContact C-N 3.34Å; L38-M40 PolarHBondContact O-N 2.95Å; M40-N43 PolarHBondContact O-N 3.41Å; M40-D44 PolarHBondContact O-N 3.26Å; M40-H105 HydrophobicContact CE-CB 3.91Å; M40-W249 HydrophobicContact CE-CH2 4.05Å; M40-W249 HydrophobicContact SD-CH2 3.54Å; M40-W249 VanDerWaalsContact SD-CH2 3.54Å; M40-W249 HydrophobicContact SD-CZ2 3.79Å; M40-W249 HydrophobicContact SD-CZ3 3.97Å; M40-K250 HydrophobicContact CG-CG 4.4Å; M40-K250 HydrophobicContact SD-CG 4.39Å
41Y95.9Very high93.9Very high5 Ų537.7 Ų37.72%0.0221%0.206CC..Hα-helixtrans-64.9-41.4177.5-71.2-74.5000112.5L18 L22 R37 L38 D39 N43 D44 L45 L74 H105 G107L18-Y41 HydrophobicContact CD1-CD1 3.83Å; L18-Y41 HydrophobicContact CD1-CD2 3.96Å; L18-Y41 HydrophobicContact CD1-CE1 3.63Å; L18-Y41 HydrophobicContact CD1-CE2 3.83Å; L18-Y41 HydrophobicContact CD1-CG 3.97Å; L18-Y41 HydrophobicContact CD2-CD1 3.86Å; L18-Y41 HydrophobicContact CD2-CD2 4.23Å; L18-Y41 HydrophobicContact CD2-CE1 4.49Å; L18-Y41 HydrophobicContact CD2-CG 3.68Å; L18-Y41 HydrophobicContact CG-CG 4.47Å; L22-Y41 HydrophobicContact CD1-CD2 4.27Å; L22-Y41 HydrophobicContact CD1-CE2 4.38Å; L22-Y41 HydrophobicContact CD2-CD2 4.45Å; L22-Y41 HydrophobicContact CD2-CE2 3.76Å; R37-Y41 HydrophobicContact CB-CD2 4.25Å; R37-Y41 HydrophobicContact CB-CE2 3.87Å; R37-Y41 WeakPolarHBondContact O-CD2 3.45Å; R37-Y41 PolarHBondContact O-N 3.3Å; L38-Y41 PolarHBondContact O-N 2.7Å; D39-Y41 VanDerWaalsContact C-N 3.34Å; D39-Y41 PolarHBondContact O-N 2.75Å; Y41-N43 VanDerWaalsContact C-N 3.33Å; Y41-D44 PolarHBondContact O-N 3.48Å; Y41-L45 WeakPolarHBondContact O-CB 3.49Å; Y41-L45 WeakPolarHBondContact O-CG 3.19Å; Y41-L45 PolarHBondContact O-N 3.21Å; Y41-L74 HydrophobicContact CD1-CD2 3.9Å; Y41-L74 HydrophobicContact CE1-CD2 4.5Å; Y41-H105 VanDerWaalsContact CE1-O 3.25Å; Y41-H105 WeakPolarHBondContact CE1-O 3.3Å; Y41-H105 AromaticContact CZ-ND1 3.66Å; Y41-H105 PolarHBondContact OH-ND1 3.35Å; Y41-H105 PolarHBondContact OH-O 3.25Å; Y41-G107 PolarHBondContact OH-N 2.83Å
42I95.4Very high94.2Very high40 Ų4036 Ų3621%0.20520%0.202CC..Hα-helixtrans-62.6-43177-71.1171.4000110.4C4 A8 L38 D39 L45 N46C4-I42 HydrophobicContact CB-CD1 4.35Å; A8-I42 HydrophobicContact CB-CB 4.33Å; A8-I42 HydrophobicContact CB-CG1 4.13Å; A8-I42 HydrophobicContact CB-CG2 4.03Å; L38-I42 HydrophobicContact CD1-CD1 4.22Å; L38-I42 HydrophobicContact CD1-CG1 4.37Å; L38-I42 HydrophobicContact CD2-CD1 4.43Å; L38-I42 HydrophobicContact CG-CD1 3.87Å; L38-I42 HydrophobicContact CG-CG1 4.43Å; L38-I42 WeakPolarHBondContact O-CG1 3.41Å; L38-I42 PolarHBondContact O-N 3.08Å; D39-I42 PolarHBondContact O-N 3.5Å; I42-L45 PolarHBondContact O-N 2.96Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.49Å; I42-N46 WeakPolarHBondContact O-CB 3.16Å; I42-N46 VanDerWaalsContact O-CG 3.28Å; I42-N46 PolarHBondContact O-N 2.85Å; I42-N46 PolarHBondContact O-ND2 2.67Å
43N94.9Very high94.6Very high90 Ų9038.4 Ų38.448%0.48122%0.218SC..Hα-helixtrans-64.2-42.6178.4-70.8-19.8000112.3D39 M40 Y41 G47D39-N43 WeakPolarHBondContact O-CB 3.39Å; D39-N43 VanDerWaalsContact O-CG 3.26Å; D39-N43 PolarHBondContact O-N 3.48Å; D39-N43 PolarHBondContact O-ND2 3.27Å; M40-N43 PolarHBondContact O-N 3.41Å; Y41-N43 VanDerWaalsContact C-N 3.33Å; N43-G47 PolarHBondContact O-N 3.37Å
44D96.6Very high94.9Very high5 Ų538.1 Ų38.13%0.02723%0.227CC..Hα-helixtrans-65.4-38.4176.7-83.4-27.8000112.7M40 Y41 S48 F49 C50 R247 S252M40-D44 PolarHBondContact O-N 3.26Å; Y41-D44 PolarHBondContact O-N 3.48Å; D44-S48 PolarHBondContact O-N 2.84Å; D44-F49 PolarHBondContact O-N 3.47Å; D44-C50 HydrophobicContact CB-CB 3.95Å; D44-C50 PolarHBondContact O-N 3.14Å; D44-R247 IonicContact OD1-CZ 3.09Å; D44-R247 IonicContact OD1-NH1 3.89Å; D44-R247 PolarHBondContact OD1-NH1 3.15Å; D44-R247 VanDerWaalsContact OD1-NH1 3.09Å; D44-R247 IonicContact OD1-NH2 3.3Å; D44-R247 PolarHBondContact OD1-NH2 3.21Å; D44-R247 IonicContact OD2-CZ 3.12Å; D44-R247 IonicContact OD2-NH2 3.75Å; D44-R247 PolarHBondContact OD2-NH2 2.7Å; D44-S252 PolarHBondContact OD1-OG 3.13Å
45L97.5Very high95.1Very high12 Ų1243 Ų436%0.06326%0.257CS..Hα-helixtrans-66.7-51.1175.2-73.1167.6000111.3I5 A8 A10 Y41 I42 G47 S48 C50 L74I5-L45 HydrophobicContact CG2-CD1 3.93Å; A8-L45 HydrophobicContact CB-CB 4.14Å; A8-L45 HydrophobicContact CB-CD1 4.02Å; A8-L45 WeakPolarHBondContact O-CB 3.47Å; A10-L45 HydrophobicContact CB-CD1 4.27Å; A10-L45 HydrophobicContact CB-CD2 4.47Å; Y41-L45 WeakPolarHBondContact O-CB 3.49Å; Y41-L45 WeakPolarHBondContact O-CG 3.19Å; Y41-L45 PolarHBondContact O-N 3.21Å; I42-L45 PolarHBondContact O-N 2.96Å; L45-G47 VanDerWaalsContact C-N 3.28Å; L45-G47 PolarHBondContact O-N 3.24Å; L45-S48 PolarHBondContact O-N 3.3Å; L45-C50 HydrophobicContact CD2-CB 4.43Å; L45-L74 HydrophobicContact CD2-CD1 4.38Å; L45-L74 HydrophobicContact CD2-CD2 4.33Å; L45-L74 HydrophobicContact CD2-CG 4.32Å; L45-L74 HydrophobicContact CG-CD2 4.44Å
46N95.1Very high95.4Very high99 Ų9941.3 Ų41.353%0.52925%0.248SC..Hα-helixtrans-60.1-38.8178.9-75.1-21.1000112.1A8 I42 S48A8-N46 PolarHBondContact O-OD1 2.7Å; I42-N46 WeakPolarHBondContact CG2-ND2 3.49Å; I42-N46 WeakPolarHBondContact O-CB 3.16Å; I42-N46 VanDerWaalsContact O-CG 3.28Å; I42-N46 PolarHBondContact O-N 2.85Å; I42-N46 PolarHBondContact O-ND2 2.67Å; N46-S48 PolarHBondContact O-N 3.14Å
47G93.6Very high95.9Very high32 Ų3243.8 Ų43.833%0.3326%0.264SS..THydrogen-bonded Turntrans-77.3-1177.300000114.6N43 L45 F49N43-G47 PolarHBondContact O-N 3.37Å; L45-G47 VanDerWaalsContact C-N 3.28Å; L45-G47 PolarHBondContact O-N 3.24Å; G47-F49 VanDerWaalsContact O-CD2 3.31Å; G47-F49 WeakPolarHBondContact O-CD2 3.24Å; G47-F49 WeakPolarHBondContact O-CE2 3.34Å; G47-F49 PolarHBondContact O-N 3.4Å; G47-F49 VanDerWaalsContact O-N 3.17Å
48S92.7Very high96.3Very high97 Ų9746 Ų4668%0.67828%0.278SS*.THydrogen-bonded Turntrans58.519.7-173.7-56.30000114.5D44 L45 N46 C50D44-S48 PolarHBondContact O-N 2.84Å; L45-S48 PolarHBondContact O-N 3.3Å; N46-S48 PolarHBondContact O-N 3.14Å; S48-C50 VanDerWaalsContact C-N 3.26Å
49F96.2Very high96.5Very high47 Ų4748.6 Ų48.621%0.20629%0.292CS..SBendtrans-81.7-11172.4-57.8-69.3000112.3D44 G47 N72 S252 S253D44-F49 PolarHBondContact O-N 3.47Å; G47-F49 VanDerWaalsContact O-CD2 3.31Å; G47-F49 WeakPolarHBondContact O-CD2 3.24Å; G47-F49 WeakPolarHBondContact O-CE2 3.34Å; G47-F49 PolarHBondContact O-N 3.4Å; G47-F49 VanDerWaalsContact O-N 3.17Å; F49-N72 PolarHBondContact O-ND2 3.22Å; F49-N72 PolarHBondContact O-OD1 3.47Å; F49-S252 WeakPolarHBondContact CD2-O 3.36Å; F49-S252 WeakPolarHBondContact CE2-O 3.41Å; F49-S252 WeakPolarHBondContact CZ-O 3.45Å; F49-S253 VanDerWaalsContact CE1-O 3.25Å; F49-S253 WeakPolarHBondContact CE1-O 3.25Å
50C97.6Very high96.9Very high5 Ų549.5 Ų49.53%0.03430%0.296CS..SBendtrans-134.2135.5167.9-173.70000109.4D44 L45 S48 L74D44-C50 HydrophobicContact CB-CB 3.95Å; D44-C50 PolarHBondContact O-N 3.14Å; L45-C50 HydrophobicContact CD2-CB 4.43Å; S48-C50 VanDerWaalsContact C-N 3.26Å; C50-L74 VanDerWaalsContact SG-CA 3.59Å; C50-L74 VanDerWaalsContact SG-CD2 3.6Å; C50-L74 PolarHBondContact SG-N 3.06Å; C50-L74 VanDerWaalsContact SG-N 3.37Å
51K98.1Very high97.1Very high97 Ų9753.9 Ų53.942%0.42232%0.32SS..BIsolated β-bridgetrans-82.4131.4174.9-69.1-172.8-163.8153.40110.2E71 N72 L73K51-E71 VanDerWaalsContact CD-O 3.29Å; K51-E71 WeakPolarHBondContact CD-O 3.35Å; K51-E71 WeakPolarHBondContact CE-O 3.49Å; K51-E71 PolarHBondContact NZ-O 2.9Å; K51-E71 IonicContact NZ-OE2 3.27Å; K51-N72 PolarHBondContact N-O 2.84Å; K51-L73 HydrophobicContact CB-CD2 3.82Å
52G97.8Very high97.2Very high8 Ų860 Ų608%0.08235%0.347CS..SBendtrans-85.8-2.1178.300000115.8A10 D11 H14A10-G52 CarbonylContact C-O 3.53Å; A10-G52 VanDerWaalsContact CA-O 3.29Å; A10-G52 WeakPolarHBondContact CA-O 3.46Å; D11-G52 PolarHBondContact N-O 3.23Å; H14-G52 PolarHBondContact ND1-O 3.46Å
53S98.3Very high97.4Very high72 Ų7261.9 Ų61.950%0.50337%0.369SS..SBendtrans-152.9152.2-178.965.10000111.3H14 L73H14-S53 VanDerWaalsContact CE1-CA 3.48Å; H14-S53 WeakPolarHBondContact CE1-CA 3.42Å; S53-L73 VanDerWaalsContact O-CD2 3.25Å; S53-L73 WeakPolarHBondContact O-CD2 3.4Å
54G98.4Very high97.6Very high37 Ų3758.9 Ų58.938%0.38136%0.356SS..  trans132.5-174179.700000112.1H14H14-G54 PolarHBondContact CE1-N 3.05Å; H14-G54 PolarHBondContact CE1-O 3.11Å; H14-G54 VanDerWaalsContact CE1-O 3.27Å; H14-G54 PolarHBondContact NE2-O 3.35Å
55V98.5Very high97.7Very high104 Ų10461.5 Ų61.563%0.6337%0.372SS*.  trans-137.3134.4-178.3-174.50000108.8F81V55-F81 HydrophobicContact CG1-CE2 4.48Å
56P98.8Very high97.7Very high10 Ų1061.2 Ų61.27%0.06537%0.372CS..  trans-57.5149.3172.5-2535000113V68 D69 L73 V78 F81P56-V68 HydrophobicContact CB-CG1 3.73Å; P56-D69 CarbonylContact C-O 3.55Å; P56-D69 VanDerWaalsContact CA-O 3.27Å; P56-D69 WeakPolarHBondContact CA-O 3.23Å; P56-D69 WeakPolarHBondContact CB-O 3.48Å; P56-L73 HydrophobicContact CG-CD1 3.97Å; P56-V78 HydrophobicContact CG-CG2 4.5Å; P56-F81 HydrophobicContact CB-CB 4.37Å; P56-F81 HydrophobicContact CB-CD1 3.72Å; P56-F81 HydrophobicContact CB-CD2 4.27Å; P56-F81 HydrophobicContact CB-CE1 4.02Å; P56-F81 HydrophobicContact CB-CG 3.86Å; P56-F81 HydrophobicContact CB-CZ 4.4Å; P56-F81 HydrophobicContact CG-CB 3.85Å; P56-F81 HydrophobicContact CG-CD1 4.16Å; P56-F81 HydrophobicContact CG-CD2 4.25Å; P56-F81 HydrophobicContact CG-CG 3.83Å
57T98.9Very high97.9Very high60 Ų6060.7 Ų60.737%0.36836%0.362SS..EExtended strand (participates in β ladder)trans-111.1130.1-177-55.30000110.8L59 V68 D69 E71T57-L59 HydrophobicContact CG2-CD2 4.35Å; T57-L59 PolarHBondContact O-N 3.3Å; T57-V68 CarbonylContact O-C 3.54Å; T57-V68 WeakPolarHBondContact O-CA 3.49Å; T57-D69 PolarHBondContact N-O 3.22Å; T57-D69 PolarHBondContact O-N 2.97Å; T57-E71 PolarHBondContact OG1-OE1 3.19Å
58V98.9Very high98.2Very high55 Ų5559.1 Ų59.133%0.33335%0.347SS..EExtended strand (participates in β ladder)trans-79.9117.2171.1-176.80000109.4N60 D61 A66 V68 F81 L85V58-N60 WeakPolarHBondContact CG1-O 2.97Å; V58-D61 HydrophobicContact CG1-CB 3.88Å; V58-A66 HydrophobicContact CG1-CB 4.19Å; V58-V68 HydrophobicContact CG2-CG2 4.37Å; V58-F81 HydrophobicContact CG2-CE1 3.98Å; V58-F81 HydrophobicContact CG2-CZ 3.85Å; V58-L85 HydrophobicContact CG2-CD2 4.08Å
59L98.8Very high98.5Very high73 Ų7356 Ų5638%0.38232%0.322SS..EExtended strand (participates in β ladder)trans-90.5-31.9-178.7-60.1179.5000112.9T57 W67 D69T57-L59 HydrophobicContact CG2-CD2 4.35Å; T57-L59 PolarHBondContact O-N 3.3Å; L59-W67 HydrophobicContact CB-CD2 3.88Å; L59-W67 HydrophobicContact CB-CE3 3.57Å; L59-W67 HydrophobicContact CB-CG 4.31Å; L59-W67 HydrophobicContact CB-CZ3 4.09Å; L59-W67 HydrophobicContact CD1-CD2 3.74Å; L59-W67 HydrophobicContact CD1-CE3 3.91Å; L59-W67 HydrophobicContact CD1-CG 4.4Å; L59-W67 HydrophobicContact CD1-CH2 3.94Å; L59-W67 HydrophobicContact CD1-CZ2 3.76Å; L59-W67 HydrophobicContact CD1-CZ3 4Å; L59-W67 HydrophobicContact CG-CD2 4.44Å; L59-W67 HydrophobicContact CG-CE3 4.42Å; L59-W67 PolarHBondContact N-O 3.46Å; L59-D69 HydrophobicContact CD1-CB 3.96Å; L59-D69 HydrophobicContact CD2-CB 4.2Å; L59-D69 HydrophobicContact CG-CB 4.11Å
60N98.7Very high98.6Very high83 Ų8353.7 Ų53.744%0.44431%0.312SS..EExtended strand (participates in β ladder)trans-146.7134.6175.6-165.7-21.7000108.8V58 A66 W67V58-N60 WeakPolarHBondContact CG1-O 2.97Å; N60-A66 CarbonylContact O-C 3.6Å; N60-A66 WeakPolarHBondContact O-CA 3.11Å; N60-A66 WeakPolarHBondContact O-CB 3.11Å; N60-W67 HydrophobicContact CB-CB 4.04Å; N60-W67 HydrophobicContact CB-CE3 4.36Å; N60-W67 PolarHBondContact N-O 3.41Å; N60-W67 PolarHBondContact O-N 3.25Å
61D98.7Very high98.7Very high100 Ų10056.7 Ų56.754%0.53533%0.325SS..EExtended strand (participates in β ladder)trans-132.8115.8-173.9-164.95.4000110.7V58 K89V58-D61 HydrophobicContact CG1-CB 3.88Å; D61-K89 IonicContact OD1-NZ 3.6Å; D61-K89 PolarHBondContact OD1-NZ 3.17Å
62K98.8Very high98.7Very high134 Ų13453.2 Ų53.258%0.58331%0.311SS*.  trans-122.5168.1173.2-65.8-172.5177.5-177.40109.5A64 T65 K89K62-A64 VanDerWaalsContact C-N 3.31Å; K62-A64 PolarHBondContact O-N 2.86Å; K62-T65 CarbonylContact C-O 3.57Å; K62-T65 PolarHBondContact N-O 3.44Å; K62-T65 PolarHBondContact O-N 2.94Å; K62-K89 PolarHBondContact O-NZ 3.43Å
63A98.5Very high98.7Very high80 Ų8052.8 Ų52.866%0.66131%0.307SS*.SBendtrans-47.2-51.7-176.800000113.3
64A98.7Very high98.7Very high27 Ų2749.4 Ų49.422%0.22328%0.284CS..SBendtrans-108.1-2.3-175.800000114.4K62 A93 I95 G96 W97K62-A64 VanDerWaalsContact C-N 3.31Å; K62-A64 PolarHBondContact O-N 2.86Å; A64-A93 HydrophobicContact CB-CB 4.05Å; A64-I95 WeakPolarHBondContact CA-O 3.25Å; A64-I95 HydrophobicContact CB-CG2 3.94Å; A64-I95 WeakPolarHBondContact CB-O 3.31Å; A64-G96 CarbonylContact O-C 3.6Å; A64-G96 WeakPolarHBondContact O-CA 3.36Å; A64-W97 PolarHBondContact O-N 3.36Å
65T98.9Very high98.7Very high59 Ų5947.7 Ų47.736%0.36227%0.266SS..EExtended strand (participates in β ladder)trans-138154.5-175.272.10000112.6K62 W97K62-T65 CarbonylContact C-O 3.57Å; K62-T65 PolarHBondContact N-O 3.44Å; K62-T65 PolarHBondContact O-N 2.94Å; T65-W97 WeakPolarHBondContact CA-O 3.42Å; T65-W97 WeakPolarHBondContact CB-O 3.29Å; T65-W97 HydrophobicContact CG2-CB 4.19Å
66A98.9Very high98.7Very high6 Ų642.7 Ų42.75%0.0524%0.236CC..EExtended strand (participates in β ladder)trans-148.5153.216600000111.9V58 N60 L85 W97 I98 V99V58-A66 HydrophobicContact CG1-CB 4.19Å; N60-A66 CarbonylContact O-C 3.6Å; N60-A66 WeakPolarHBondContact O-CA 3.11Å; N60-A66 WeakPolarHBondContact O-CB 3.11Å; A66-L85 HydrophobicContact CB-CD2 3.65Å; A66-W97 PolarHBondContact N-O 3.37Å; A66-W97 VanDerWaalsContact N-O 3.15Å; A66-I98 HydrophobicContact CB-CD1 3.7Å; A66-I98 WeakPolarHBondContact O-CA 3.4Å; A66-V99 PolarHBondContact O-N 3.34Å; A66-V99 VanDerWaalsContact O-N 3.1Å
67W98.9Very high98.7Very high88 Ų8842.7 Ų42.733%0.33324%0.235SC..EExtended strand (participates in β ladder)trans-111.6127.1171.2178.933.5000108.8L59 N60 V99 K101 S238L59-W67 HydrophobicContact CB-CD2 3.88Å; L59-W67 HydrophobicContact CB-CE3 3.57Å; L59-W67 HydrophobicContact CB-CG 4.31Å; L59-W67 HydrophobicContact CB-CZ3 4.09Å; L59-W67 HydrophobicContact CD1-CD2 3.74Å; L59-W67 HydrophobicContact CD1-CE3 3.91Å; L59-W67 HydrophobicContact CD1-CG 4.4Å; L59-W67 HydrophobicContact CD1-CH2 3.94Å; L59-W67 HydrophobicContact CD1-CZ2 3.76Å; L59-W67 HydrophobicContact CD1-CZ3 4Å; L59-W67 HydrophobicContact CG-CD2 4.44Å; L59-W67 HydrophobicContact CG-CE3 4.42Å; L59-W67 PolarHBondContact N-O 3.46Å; N60-W67 HydrophobicContact CB-CB 4.04Å; N60-W67 HydrophobicContact CB-CE3 4.36Å; N60-W67 PolarHBondContact N-O 3.41Å; N60-W67 PolarHBondContact O-N 3.25Å; W67-V99 WeakPolarHBondContact CA-O 3.12Å; W67-K101 HydrophobicContact CZ2-CD 4.09Å; W67-S238 PolarHBondContact NE1-O 3.05Å
68V99Very high98.7Very high0 Ų039.9 Ų39.90%022%0.218CC..EExtended strand (participates in β ladder)trans-121.5138.2-172178.60000110.7P56 T57 V58 F81 L85 I98 V99 A100 K101P56-V68 HydrophobicContact CB-CG1 3.73Å; T57-V68 CarbonylContact O-C 3.54Å; T57-V68 WeakPolarHBondContact O-CA 3.49Å; V58-V68 HydrophobicContact CG2-CG2 4.37Å; V68-F81 HydrophobicContact CG1-CD1 4Å; V68-F81 HydrophobicContact CG1-CE1 3.85Å; V68-F81 HydrophobicContact CG2-CD1 4.47Å; V68-F81 HydrophobicContact CG2-CE1 4Å; V68-L85 HydrophobicContact CG2-CD2 4.31Å; V68-I98 HydrophobicContact CG2-CG2 3.72Å; V68-V99 PolarHBondContact N-O 2.87Å; V68-A100 HydrophobicContact CB-CB 4.18Å; V68-A100 VanDerWaalsContact O-CA 3.26Å; V68-A100 WeakPolarHBondContact O-CA 3.32Å; V68-K101 PolarHBondContact O-N 2.88Å
69D98.9Very high98.7Very high30 Ų3037.2 Ų37.216%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-91.4120.5161.6-154-40.8000109.2P56 T57 L59 E71 K101P56-D69 CarbonylContact C-O 3.55Å; P56-D69 VanDerWaalsContact CA-O 3.27Å; P56-D69 WeakPolarHBondContact CA-O 3.23Å; P56-D69 WeakPolarHBondContact CB-O 3.48Å; T57-D69 PolarHBondContact N-O 3.22Å; T57-D69 PolarHBondContact O-N 2.97Å; L59-D69 HydrophobicContact CD1-CB 3.96Å; L59-D69 HydrophobicContact CD2-CB 4.2Å; L59-D69 HydrophobicContact CG-CB 4.11Å; D69-E71 PolarHBondContact O-N 2.93Å; D69-E71 PolarHBondContact OD1-N 2.89Å; D69-K101 WeakPolarHBondContact OD2-CE 3.45Å; D69-K101 IonicContact OD2-NZ 2.7Å; D69-K101 PolarHBondContact OD2-NZ 3.18Å
70G98.9Very high98.7Very high0 Ų034.5 Ų34.50%019%0.188CC..  trans-75.8-4.7176.100000113.6N72 L73 K101 G102G70-N72 PolarHBondContact O-N 3.29Å; G70-N72 VanDerWaalsContact O-N 3.07Å; G70-L73 VanDerWaalsContact O-CB 3.25Å; G70-L73 WeakPolarHBondContact O-CB 3.37Å; G70-L73 WeakPolarHBondContact O-CG 3.3Å; G70-L73 PolarHBondContact O-N 3.09Å; G70-K101 WeakPolarHBondContact CA-O 3.35Å; G70-K101 PolarHBondContact N-O 2.83Å; G70-G102 CarbonylContact C-O 3.55Å; G70-G102 VanDerWaalsContact C-O 3.25Å; G70-G102 WeakPolarHBondContact CA-O 3.45Å
71E98.6Very high98.8Very high67 Ų6733.5 Ų33.531%0.31318%0.179SC..THydrogen-bonded Turntrans59.222173-65.8-67.9161.900114.6K51 T57 D69 L73K51-E71 VanDerWaalsContact CD-O 3.29Å; K51-E71 WeakPolarHBondContact CD-O 3.35Å; K51-E71 WeakPolarHBondContact CE-O 3.49Å; K51-E71 PolarHBondContact NZ-O 2.9Å; K51-E71 IonicContact NZ-OE2 3.27Å; T57-E71 PolarHBondContact OG1-OE1 3.19Å; D69-E71 PolarHBondContact O-N 2.93Å; D69-E71 PolarHBondContact OD1-N 2.89Å; E71-L73 HydrophobicContact CB-CD1 4.32Å; E71-L73 HydrophobicContact CB-CG 4.1Å; E71-L73 PolarHBondContact O-N 3.06Å
72N98.5Very high98.8Very high24 Ų2428.7 Ų28.713%0.12815%0.154CC..THydrogen-bonded Turntrans60.428.7-171.4-164.740.2000114F49 K51 G70 G102 N104F49-N72 PolarHBondContact O-ND2 3.22Å; F49-N72 PolarHBondContact O-OD1 3.47Å; K51-N72 PolarHBondContact N-O 2.84Å; G70-N72 PolarHBondContact O-N 3.29Å; G70-N72 VanDerWaalsContact O-N 3.07Å; N72-G102 WeakPolarHBondContact CA-O 3.09Å; N72-G102 PolarHBondContact N-O 3.33Å; N72-N104 PolarHBondContact O-ND2 3.19Å; N72-N104 PolarHBondContact OD1-ND2 3.13Å
73L98.8Very high98.8Very high0 Ų022.3 Ų22.30%013%0.126CC..BIsolated β-bridgetrans-75.5171.8178.1-61.2174.7000111.8K51 S53 P56 G70 E71 G75 V77 V78 N104K51-L73 HydrophobicContact CB-CD2 3.82Å; S53-L73 VanDerWaalsContact O-CD2 3.25Å; S53-L73 WeakPolarHBondContact O-CD2 3.4Å; P56-L73 HydrophobicContact CG-CD1 3.97Å; G70-L73 VanDerWaalsContact O-CB 3.25Å; G70-L73 WeakPolarHBondContact O-CB 3.37Å; G70-L73 WeakPolarHBondContact O-CG 3.3Å; G70-L73 PolarHBondContact O-N 3.09Å; E71-L73 HydrophobicContact CB-CD1 4.32Å; E71-L73 HydrophobicContact CB-CG 4.1Å; E71-L73 PolarHBondContact O-N 3.06Å; L73-G75 PolarHBondContact O-N 2.67Å; L73-V77 HydrophobicContact CB-CB 4.41Å; L73-V77 HydrophobicContact CB-CG1 4.47Å; L73-V77 HydrophobicContact CD1-CG1 3.98Å; L73-V78 HydrophobicContact CB-CG2 4.05Å; L73-N104 PolarHBondContact O-ND2 3.38Å
74L98.6Very high98.8Very high1 Ų122 Ų221%0.00511%0.113CC..  trans-56.5132.9169.3-77.3170.3000110.3A10 H14 L18 Y41 L45 C50 P76 V77 V78A10-L74 HydrophobicContact CB-CD1 4.32Å; H14-L74 HydrophobicContact CB-CD1 4.18Å; L18-L74 HydrophobicContact CB-CD1 4.35Å; L18-L74 HydrophobicContact CD2-CD1 4.25Å; L18-L74 HydrophobicContact CD2-CD2 4.06Å; Y41-L74 HydrophobicContact CD1-CD2 3.9Å; Y41-L74 HydrophobicContact CE1-CD2 4.5Å; L45-L74 HydrophobicContact CD2-CD1 4.38Å; L45-L74 HydrophobicContact CD2-CD2 4.33Å; L45-L74 HydrophobicContact CD2-CG 4.32Å; L45-L74 HydrophobicContact CG-CD2 4.44Å; C50-L74 VanDerWaalsContact SG-CA 3.59Å; C50-L74 VanDerWaalsContact SG-CD2 3.6Å; C50-L74 PolarHBondContact SG-N 3.06Å; C50-L74 VanDerWaalsContact SG-N 3.37Å; L74-P76 VanDerWaalsContact C-CD 3.46Å; L74-P76 VanDerWaalsContact C-N 3.27Å; L74-P76 VanDerWaalsContact O-N 3.12Å; L74-V77 HydrophobicContact CB-CG2 4.03Å; L74-V77 VanDerWaalsContact O-CB 3.32Å; L74-V77 WeakPolarHBondContact O-CB 3.22Å; L74-V77 PolarHBondContact O-N 3.18Å; L74-V78 PolarHBondContact O-N 2.55Å
75G98.5Very high98.8Very high0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-49.1-40.8-177.900000114.4L73 V77 V78 G79 N104L73-G75 PolarHBondContact O-N 2.67Å; G75-V77 VanDerWaalsContact C-N 3.3Å; G75-V77 PolarHBondContact O-N 3.19Å; G75-V78 PolarHBondContact O-N 3.36Å; G75-G79 PolarHBondContact O-N 3.33Å; G75-N104 WeakPolarHBondContact CA-O 3.4Å
76P98.7Very high98.8Very high0 Ų019.2 Ų19.20%09%0.092CC..Hα-helixtrans-66.2-25.6176.5-26.639.6000115.8M17 L18 V21 L74 N80 Y112M17-P76 HydrophobicContact CB-CB 4.27Å; L18-P76 HydrophobicContact CD1-CG 3.94Å; V21-P76 HydrophobicContact CB-CG 4.46Å; V21-P76 HydrophobicContact CG1-CB 4.02Å; V21-P76 HydrophobicContact CG1-CG 3.43Å; V21-P76 VanDerWaalsContact CG1-CG 3.43Å; L74-P76 VanDerWaalsContact C-CD 3.46Å; L74-P76 VanDerWaalsContact C-N 3.27Å; L74-P76 VanDerWaalsContact O-N 3.12Å; P76-N80 VanDerWaalsContact O-CB 3.23Å; P76-N80 WeakPolarHBondContact O-CB 3.19Å; P76-N80 PolarHBondContact O-N 3.28Å; P76-N80 PolarHBondContact O-ND2 3.49Å; P76-Y112 VanDerWaalsContact CA-OH 3.24Å; P76-Y112 WeakPolarHBondContact CA-OH 3.35Å
77V98.8Very high98.8Very high10 Ų1019.8 Ų19.86%0.0619%0.094CC..Hα-helixtrans-70.7-48173.6179.40000109.7H14 M17 L73 L74 G75 F81H14-V77 HydrophobicContact CB-CG2 3.92Å; M17-V77 HydrophobicContact SD-CB 4.34Å; M17-V77 HydrophobicContact SD-CG1 4.5Å; M17-V77 HydrophobicContact SD-CG2 3.94Å; L73-V77 HydrophobicContact CB-CB 4.41Å; L73-V77 HydrophobicContact CB-CG1 4.47Å; L73-V77 HydrophobicContact CD1-CG1 3.98Å; L74-V77 HydrophobicContact CB-CG2 4.03Å; L74-V77 VanDerWaalsContact O-CB 3.32Å; L74-V77 WeakPolarHBondContact O-CB 3.22Å; L74-V77 PolarHBondContact O-N 3.18Å; G75-V77 VanDerWaalsContact C-N 3.3Å; G75-V77 PolarHBondContact O-N 3.19Å; V77-F81 WeakPolarHBondContact O-CB 3.45Å; V77-F81 PolarHBondContact O-N 3.35Å; V77-F81 VanDerWaalsContact O-N 3.1Å
78V98.9Very high98.8Very high0 Ų022.5 Ų22.50%011%0.108CC..Hα-helixtrans-62.9-48177.4-174.70000110.7P56 L73 L74 G75 N80 F81 C82 A100P56-V78 HydrophobicContact CG-CG2 4.5Å; L73-V78 HydrophobicContact CB-CG2 4.05Å; L74-V78 PolarHBondContact O-N 2.55Å; G75-V78 PolarHBondContact O-N 3.36Å; V78-N80 PolarHBondContact O-N 3.34Å; V78-F81 PolarHBondContact O-N 3.19Å; V78-C82 WeakPolarHBondContact O-CB 3.11Å; V78-C82 PolarHBondContact O-N 2.53Å; V78-C82 PolarHBondContact O-SG 2.78Å; V78-A100 HydrophobicContact CG1-CB 3.82Å
79G98.9Very high98.8Very high0 Ų023.3 Ų23.30%011%0.112CC..Hα-helixtrans-64.9-39.2-178.200000113.6G75 M83G75-G79 PolarHBondContact O-N 3.33Å; G79-M83 WeakPolarHBondContact O-CB 3.33Å; G79-M83 PolarHBondContact O-N 3.23Å
80N98.9Very high98.8Very high15 Ų1521.9 Ų21.98%0.0810%0.104CC..Hα-helixtrans-63.7-48.7174.3-85.5-47.6000111.4P76 V78 C82 M83 D84 K115P76-N80 VanDerWaalsContact O-CB 3.23Å; P76-N80 WeakPolarHBondContact O-CB 3.19Å; P76-N80 PolarHBondContact O-N 3.28Å; P76-N80 PolarHBondContact O-ND2 3.49Å; V78-N80 PolarHBondContact O-N 3.34Å; N80-C82 PolarHBondContact O-N 3.01Å; N80-M83 PolarHBondContact O-N 2.94Å; N80-D84 WeakPolarHBondContact O-CB 3.3Å; N80-D84 PolarHBondContact O-N 2.93Å; N80-D84 VanDerWaalsContact O-OD2 3.11Å; N80-K115 PolarHBondContact OD1-NZ 3.45Å
81F98.9Very high98.8Very high62 Ų6227.3 Ų27.327%0.27213%0.13SC..Hα-helixtrans-56.7-48.7177.4178.5-86.8000111.9V55 P56 V58 V68 V77 V78 D84 L85V55-F81 HydrophobicContact CG1-CE2 4.48Å; P56-F81 HydrophobicContact CB-CB 4.37Å; P56-F81 HydrophobicContact CB-CD1 3.72Å; P56-F81 HydrophobicContact CB-CD2 4.27Å; P56-F81 HydrophobicContact CB-CE1 4.02Å; P56-F81 HydrophobicContact CB-CG 3.86Å; P56-F81 HydrophobicContact CB-CZ 4.4Å; P56-F81 HydrophobicContact CG-CB 3.85Å; P56-F81 HydrophobicContact CG-CD1 4.16Å; P56-F81 HydrophobicContact CG-CD2 4.25Å; P56-F81 HydrophobicContact CG-CG 3.83Å; V58-F81 HydrophobicContact CG2-CE1 3.98Å; V58-F81 HydrophobicContact CG2-CZ 3.85Å; V68-F81 HydrophobicContact CG1-CD1 4Å; V68-F81 HydrophobicContact CG1-CE1 3.85Å; V68-F81 HydrophobicContact CG2-CD1 4.47Å; V68-F81 HydrophobicContact CG2-CE1 4Å; V77-F81 WeakPolarHBondContact O-CB 3.45Å; V77-F81 PolarHBondContact O-N 3.35Å; V77-F81 VanDerWaalsContact O-N 3.1Å; V78-F81 PolarHBondContact O-N 3.19Å; F81-D84 PolarHBondContact O-N 3.35Å; F81-L85 HydrophobicContact CE1-CD2 4.44Å; F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 PolarHBondContact O-N 3.32Å
82C99Very high98.8Very high0 Ų029.7 Ų29.70%015%0.149CC..Hα-helixtrans-68.8-39.9-177.5-69.70000112.8V78 N80 L85 A86 I98 F262V78-C82 WeakPolarHBondContact O-CB 3.11Å; V78-C82 PolarHBondContact O-N 2.53Å; V78-C82 PolarHBondContact O-SG 2.78Å; N80-C82 PolarHBondContact O-N 3.01Å; C82-L85 PolarHBondContact O-N 3.45Å; C82-A86 WeakPolarHBondContact O-CB 3.38Å; C82-A86 PolarHBondContact O-N 2.86Å; C82-I98 HydrophobicContact CB-CB 4.34Å; C82-I98 HydrophobicContact CB-CG2 3.82Å; C82-I98 WeakPolarHBondContact O-CG1 3.34Å; C82-F262 HydrophobicContact CB-CB 4.3Å; C82-F262 HydrophobicContact CB-CD2 3.23Å; C82-F262 HydrophobicContact CB-CE2 3.64Å; C82-F262 HydrophobicContact CB-CG 3.88Å
83M98.9Very high98.8Very high0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-69.3-38176.9-175.254.775.900111.8G79 N80 L85 A86 I87 Y112 K115 A116 M124 F262 A264G79-M83 WeakPolarHBondContact O-CB 3.33Å; G79-M83 PolarHBondContact O-N 3.23Å; N80-M83 PolarHBondContact O-N 2.94Å; M83-L85 VanDerWaalsContact C-N 3.3Å; M83-L85 PolarHBondContact O-N 3.14Å; M83-A86 WeakPolarHBondContact O-CB 3.18Å; M83-A86 PolarHBondContact O-N 3.25Å; M83-A86 VanDerWaalsContact O-N 3.16Å; M83-A86 HydrophobicContact SD-CB 4.12Å; M83-I87 HydrophobicContact CG-CD1 4.04Å; M83-I87 HydrophobicContact CG-CG1 4.43Å; M83-I87 VanDerWaalsContact O-CG1 3.28Å; M83-I87 WeakPolarHBondContact O-CG1 3.46Å; M83-I87 PolarHBondContact O-N 2.82Å; M83-I87 HydrophobicContact SD-CG1 4.31Å; M83-Y112 WeakPolarHBondContact CE-O 3.43Å; M83-Y112 WeakPolarHBondContact CG-O 3.44Å; M83-K115 HydrophobicContact CG-CB 4.17Å; M83-K115 HydrophobicContact CG-CD 4.36Å; M83-A116 HydrophobicContact SD-CB 3.88Å; M83-M124 WeakPolarHBondContact CE-O 3.45Å; M83-F262 HydrophobicContact CB-CD1 4.42Å; M83-F262 HydrophobicContact CE-CB 3.95Å; M83-F262 HydrophobicContact CE-CD1 4.07Å; M83-A264 HydrophobicContact SD-CB 4.49Å
84D98.9Very high98.8Very high73 Ų7331.4 Ų31.439%0.3917%0.168SC..Hα-helixtrans-62.4-40.2174.6-69.6-22.6000111.6N80 F81 I87 K88 K115N80-D84 WeakPolarHBondContact O-CB 3.3Å; N80-D84 PolarHBondContact O-N 2.93Å; N80-D84 VanDerWaalsContact O-OD2 3.11Å; F81-D84 PolarHBondContact O-N 3.35Å; D84-I87 PolarHBondContact O-N 3.11Å; D84-K88 WeakPolarHBondContact O-CB 3.39Å; D84-K88 PolarHBondContact O-N 3.17Å; D84-K115 WeakPolarHBondContact OD1-CE 3.31Å; D84-K115 IonicContact OD1-NZ 3.64Å; D84-K115 PolarHBondContact OD1-NZ 3.1Å; D84-K115 IonicContact OD2-NZ 3.41Å; D84-K115 PolarHBondContact OD2-NZ 2.93Å
85L98.9Very high98.8Very high28 Ų2834.3 Ų34.315%0.14718%0.183CC..Hα-helixtrans-65.6-39.9173.5-174.559.9000112V58 A66 V68 F81 C82 M83 K88 K89 I98V58-L85 HydrophobicContact CG2-CD2 4.08Å; A66-L85 HydrophobicContact CB-CD2 3.65Å; V68-L85 HydrophobicContact CG2-CD2 4.31Å; F81-L85 HydrophobicContact CE1-CD2 4.44Å; F81-L85 WeakPolarHBondContact O-CB 3.41Å; F81-L85 PolarHBondContact O-N 3.32Å; C82-L85 PolarHBondContact O-N 3.45Å; M83-L85 VanDerWaalsContact C-N 3.3Å; M83-L85 PolarHBondContact O-N 3.14Å; L85-K88 PolarHBondContact O-N 3.19Å; L85-K89 HydrophobicContact CG-CD 4.49Å; L85-K89 WeakPolarHBondContact O-CG 3.24Å; L85-K89 PolarHBondContact O-N 3.32Å; L85-K89 VanDerWaalsContact O-N 3.11Å; L85-I98 HydrophobicContact CB-CG1 4.39Å; L85-I98 HydrophobicContact CD2-CD1 4.13Å; L85-I98 HydrophobicContact CD2-CG1 4.49Å; L85-I98 HydrophobicContact CD2-CG2 4.44Å; L85-I98 HydrophobicContact CG-CD1 4.04Å; L85-I98 HydrophobicContact CG-CG1 4.35Å
86A99Very high98.8Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-61-48175.400000111.2C82 M83 K88 K89 A90 I98 A264C82-A86 WeakPolarHBondContact O-CB 3.38Å; C82-A86 PolarHBondContact O-N 2.86Å; M83-A86 WeakPolarHBondContact O-CB 3.18Å; M83-A86 PolarHBondContact O-N 3.25Å; M83-A86 VanDerWaalsContact O-N 3.16Å; M83-A86 HydrophobicContact SD-CB 4.12Å; A86-K88 PolarHBondContact O-N 3.19Å; A86-K89 PolarHBondContact O-N 3.14Å; A86-A90 WeakPolarHBondContact O-CB 3.26Å; A86-A90 PolarHBondContact O-N 3.26Å; A86-I98 HydrophobicContact CB-CG1 3.77Å; A86-A264 HydrophobicContact CB-CB 3.9Å
87I98.9Very high98.8Very high17 Ų1737.6 Ų37.69%0.08720%0.195CC..Hα-helixtrans-57-50.8177.7-71.7165.9000110.5M83 D84 K89 A90 Q91 K115 A116 V119 L121 A264M83-I87 HydrophobicContact CG-CD1 4.04Å; M83-I87 HydrophobicContact CG-CG1 4.43Å; M83-I87 VanDerWaalsContact O-CG1 3.28Å; M83-I87 WeakPolarHBondContact O-CG1 3.46Å; M83-I87 PolarHBondContact O-N 2.82Å; M83-I87 HydrophobicContact SD-CG1 4.31Å; D84-I87 PolarHBondContact O-N 3.11Å; I87-K89 VanDerWaalsContact C-N 3.27Å; I87-K89 PolarHBondContact O-N 3.44Å; I87-A90 PolarHBondContact O-N 3.29Å; I87-Q91 WeakPolarHBondContact O-CG 3.34Å; I87-Q91 PolarHBondContact O-N 2.84Å; I87-K115 HydrophobicContact CD1-CG 4.27Å; I87-A116 HydrophobicContact CD1-CB 4.12Å; I87-A116 HydrophobicContact CG1-CB 3.86Å; I87-V119 HydrophobicContact CD1-CG2 4.3Å; I87-V119 HydrophobicContact CG1-CG2 4.44Å; I87-V119 HydrophobicContact CG2-CG2 3.92Å; I87-L121 HydrophobicContact CB-CD1 4.2Å; I87-L121 HydrophobicContact CG1-CD1 4.16Å; I87-L121 HydrophobicContact CG2-CD1 3.88Å; I87-A264 HydrophobicContact CG1-CB 4.17Å
88K98.9Very high98.8Very high145 Ų14537.1 Ų37.163%0.6319%0.192SC*.Hα-helixtrans-58.1-39.3179.5-177.3178.3178-178.60112.4D84 L85 A86 T92D84-K88 WeakPolarHBondContact O-CB 3.39Å; D84-K88 PolarHBondContact O-N 3.17Å; L85-K88 PolarHBondContact O-N 3.19Å; A86-K88 PolarHBondContact O-N 3.19Å; K88-T92 PolarHBondContact O-OG1 3.27Å
89K98.8Very high98.8Very high17 Ų1737.6 Ų37.67%0.07420%0.195CC..Hα-helixtrans-71.9-43177.1-71.4179.3-176.7-61.80112D61 K62 L85 A86 I87 Q91 T92 A93 I98D61-K89 IonicContact OD1-NZ 3.6Å; D61-K89 PolarHBondContact OD1-NZ 3.17Å; K62-K89 PolarHBondContact O-NZ 3.43Å; L85-K89 HydrophobicContact CG-CD 4.49Å; L85-K89 WeakPolarHBondContact O-CG 3.24Å; L85-K89 PolarHBondContact O-N 3.32Å; L85-K89 VanDerWaalsContact O-N 3.11Å; A86-K89 PolarHBondContact O-N 3.14Å; I87-K89 VanDerWaalsContact C-N 3.27Å; I87-K89 PolarHBondContact O-N 3.44Å; K89-Q91 VanDerWaalsContact C-N 3.28Å; K89-Q91 PolarHBondContact O-N 3.41Å; K89-T92 PolarHBondContact O-N 2.82Å; K89-T92 PolarHBondContact O-OG1 2.91Å; K89-A93 WeakPolarHBondContact O-CB 3.38Å; K89-A93 PolarHBondContact O-N 3.14Å; K89-I98 HydrophobicContact CD-CD1 3.73Å
90A98.9Very high98.8Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-58.8-40.7177.900000112.3A86 I87 T92 G94 L121 A264A86-A90 WeakPolarHBondContact O-CB 3.26Å; A86-A90 PolarHBondContact O-N 3.26Å; I87-A90 PolarHBondContact O-N 3.29Å; A90-T92 PolarHBondContact O-N 2.9Å; A90-T92 VanDerWaalsContact O-N 3.15Å; A90-G94 CarbonylContact O-C 3.58Å; A90-G94 WeakPolarHBondContact O-CA 3.48Å; A90-G94 PolarHBondContact O-N 2.8Å; A90-L121 HydrophobicContact CB-CD1 3.99Å; A90-A264 HydrophobicContact CB-CB 3.73Å; A90-A264 WeakPolarHBondContact CB-O 3.27Å
91Q98.6Very high98.8Very high114 Ų11439.1 Ų39.153%0.53320%0.201SC..Hα-helixtrans-63-18.6177-71.5172-21.500114.4I87 K89 L121I87-Q91 WeakPolarHBondContact O-CG 3.34Å; I87-Q91 PolarHBondContact O-N 2.84Å; K89-Q91 VanDerWaalsContact C-N 3.28Å; K89-Q91 PolarHBondContact O-N 3.41Å; Q91-L121 HydrophobicContact CG-CD1 4.33Å
92T98.2Very high98.8Very high118 Ų11836.6 Ų36.672%0.72419%0.192SC*.Hα-helixtrans-117.2-26.9-175.553.60000113.6K88 K89 A90K88-T92 PolarHBondContact O-OG1 3.27Å; K89-T92 PolarHBondContact O-N 2.82Å; K89-T92 PolarHBondContact O-OG1 2.91Å; A90-T92 PolarHBondContact O-N 2.9Å; A90-T92 VanDerWaalsContact O-N 3.15Å
93A98.6Very high98.8Very high46 Ų4636.6 Ų36.638%0.3819%0.192SC..Hα-helixtrans-121.23.5-17600000113.3A64 K89 I95A64-A93 HydrophobicContact CB-CB 4.05Å; K89-A93 WeakPolarHBondContact O-CB 3.38Å; K89-A93 PolarHBondContact O-N 3.14Å; A93-I95 PolarHBondContact O-N 2.88Å; A93-I95 VanDerWaalsContact O-N 3.13Å
94G98.7Very high98.8Very high14 Ų1436.7 Ų36.714%0.14419%0.193CC..SBendtrans79.2-23.9-176.300000114.4A90 D266A90-G94 CarbonylContact O-C 3.58Å; A90-G94 WeakPolarHBondContact O-CA 3.48Å; A90-G94 PolarHBondContact O-N 2.8Å; G94-D266 PolarHBondContact O-N 3.26Å
95I98.9Very high98.7Very high62 Ų6234.5 Ų34.532%0.31818%0.18SC..EExtended strand (participates in β ladder)trans-144.8144.9174.9-170.6170.3000111.3A64 A93 V263 A264 I265A64-I95 WeakPolarHBondContact CA-O 3.25Å; A64-I95 HydrophobicContact CB-CG2 3.94Å; A64-I95 WeakPolarHBondContact CB-O 3.31Å; A93-I95 PolarHBondContact O-N 2.88Å; A93-I95 VanDerWaalsContact O-N 3.13Å; I95-V263 HydrophobicContact CD1-CG1 4.08Å; I95-V263 HydrophobicContact CG1-CG1 4.05Å; I95-A264 CarbonylContact C-O 3.58Å; I95-A264 WeakPolarHBondContact CA-O 3.19Å; I95-A264 WeakPolarHBondContact CG1-O 3.38Å; I95-I265 HydrophobicContact CD1-CG1 4.32Å; I95-I265 HydrophobicContact CG1-CG1 4.23Å
96G98.9Very high98.6Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-123.3118.3165.600000109.7A64 V263 A264A64-G96 CarbonylContact O-C 3.6Å; A64-G96 WeakPolarHBondContact O-CA 3.36Å; G96-V263 CarbonylContact O-C 3.19Å; G96-V263 WeakPolarHBondContact O-CA 3.47Å; G96-A264 PolarHBondContact N-O 3.38Å; G96-A264 PolarHBondContact O-N 3.5Å
97W98.9Very high98.5Very high69 Ų6933.5 Ų33.526%0.26118%0.176SC..EExtended strand (participates in β ladder)trans-117109.5176.4-172.9-64.9000110.3A64 T65 A66 F233 C261 V263A64-W97 PolarHBondContact O-N 3.36Å; T65-W97 WeakPolarHBondContact CA-O 3.42Å; T65-W97 WeakPolarHBondContact CB-O 3.29Å; T65-W97 HydrophobicContact CG2-CB 4.19Å; A66-W97 PolarHBondContact N-O 3.37Å; A66-W97 VanDerWaalsContact N-O 3.15Å; W97-F233 HydrophobicContact CH2-CD1 4.49Å; W97-F233 HydrophobicContact CH2-CD2 4.48Å; W97-F233 HydrophobicContact CH2-CE1 4.15Å; W97-F233 HydrophobicContact CH2-CE2 4.14Å; W97-F233 AromaticContact CH2-CZ 3.97Å; W97-F233 HydrophobicContact CH2-CZ 3.97Å; W97-F233 AromaticContact CZ2-CD1 3.89Å; W97-F233 HydrophobicContact CZ2-CD1 3.89Å; W97-F233 HydrophobicContact CZ2-CD2 4.26Å; W97-F233 AromaticContact CZ2-CE1 3.96Å; W97-F233 HydrophobicContact CZ2-CE1 3.96Å; W97-F233 HydrophobicContact CZ2-CE2 4.32Å; W97-F233 HydrophobicContact CZ2-CG 4.05Å; W97-F233 HydrophobicContact CZ2-CZ 4.18Å; W97-C261 VanDerWaalsContact CE2-SG 3.56Å; W97-C261 PolarHBondContact NE1-SG 3.5Å; W97-C261 VanDerWaalsContact NE1-SG 3.41Å; W97-V263 HydrophobicContact CD2-CG2 3.77Å; W97-V263 HydrophobicContact CE3-CB 4.48Å; W97-V263 HydrophobicContact CE3-CG1 3.99Å; W97-V263 HydrophobicContact CE3-CG2 3.58Å; W97-V263 HydrophobicContact CG-CG2 4.3Å; W97-V263 HydrophobicContact CH2-CG2 4.38Å; W97-V263 HydrophobicContact CZ3-CG2 3.91Å
98I99Very high98.5Very high0 Ų032.9 Ų32.90%017%0.173CC..EExtended strand (participates in β ladder)trans-114.9131.1-176.2-46.5-48.7000109.4A66 V68 C82 L85 A86 K89 C261 F262A66-I98 HydrophobicContact CB-CD1 3.7Å; A66-I98 WeakPolarHBondContact O-CA 3.4Å; V68-I98 HydrophobicContact CG2-CG2 3.72Å; C82-I98 HydrophobicContact CB-CB 4.34Å; C82-I98 HydrophobicContact CB-CG2 3.82Å; C82-I98 WeakPolarHBondContact O-CG1 3.34Å; L85-I98 HydrophobicContact CB-CG1 4.39Å; L85-I98 HydrophobicContact CD2-CD1 4.13Å; L85-I98 HydrophobicContact CD2-CG1 4.49Å; L85-I98 HydrophobicContact CD2-CG2 4.44Å; L85-I98 HydrophobicContact CG-CD1 4.04Å; L85-I98 HydrophobicContact CG-CG1 4.35Å; A86-I98 HydrophobicContact CB-CG1 3.77Å; K89-I98 HydrophobicContact CD-CD1 3.73Å; I98-C261 CarbonylContact O-C 3.57Å; I98-C261 VanDerWaalsContact O-CA 3.31Å; I98-C261 WeakPolarHBondContact O-CA 3.35Å; I98-F262 PolarHBondContact N-O 3.43Å; I98-F262 PolarHBondContact O-N 3.2Å
99V98.9Very high98.5Very high10 Ų1026 Ų266%0.06114%0.143CC..EExtended strand (participates in β ladder)trans-117.3137.8169.7-66.50000109.7A66 W67 V68 L237 Q260 C261A66-V99 PolarHBondContact O-N 3.34Å; A66-V99 VanDerWaalsContact O-N 3.1Å; W67-V99 WeakPolarHBondContact CA-O 3.12Å; V68-V99 PolarHBondContact N-O 2.87Å; V99-L237 HydrophobicContact CG1-CD2 3.85Å; V99-L237 HydrophobicContact CG1-CG 4.09Å; V99-L237 HydrophobicContact CG2-CG 4.35Å; V99-Q260 CarbonylContact C-O 3.54Å; V99-Q260 WeakPolarHBondContact CA-O 3.3Å; V99-C261 HydrophobicContact CG1-CB 4.11Å
100A98.9Very high98.4Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-125.9138-179.300000110.7V68 V78 S238 G259 Q260V68-A100 HydrophobicContact CB-CB 4.18Å; V68-A100 VanDerWaalsContact O-CA 3.26Å; V68-A100 WeakPolarHBondContact O-CA 3.32Å; V78-A100 HydrophobicContact CG1-CB 3.82Å; A100-S238 WeakPolarHBondContact O-CB 3.45Å; A100-S238 PolarHBondContact O-OG 2.85Å; A100-G259 CarbonylContact O-C 3.51Å; A100-G259 VanDerWaalsContact O-CA 3.29Å; A100-G259 WeakPolarHBondContact O-CA 3.41Å; A100-Q260 PolarHBondContact N-O 3.4Å; A100-Q260 PolarHBondContact O-N 2.91Å
101K98.9Very high98.4Very high47 Ų4727.1 Ų27.120%0.20415%0.148CC..EExtended strand (participates in β ladder)trans-108.1177.7164.961.8167.3-174163.40109.9W67 V68 D69 G70 S103 S238 A240W67-K101 HydrophobicContact CZ2-CD 4.09Å; V68-K101 PolarHBondContact O-N 2.88Å; D69-K101 WeakPolarHBondContact OD2-CE 3.45Å; D69-K101 IonicContact OD2-NZ 2.7Å; D69-K101 PolarHBondContact OD2-NZ 3.18Å; G70-K101 WeakPolarHBondContact CA-O 3.35Å; G70-K101 PolarHBondContact N-O 2.83Å; K101-S103 PolarHBondContact O-N 3.13Å; K101-S238 WeakPolarHBondContact CB-O 3.47Å; K101-A240 HydrophobicContact CB-CB 3.86Å
102G98.6Very high98.4Very high8 Ų821.7 Ų21.78%0.08212%0.123CC..EExtended strand (participates in β ladder)trans65.129.3173.800000113G70 N72 N257G70-G102 CarbonylContact C-O 3.55Å; G70-G102 VanDerWaalsContact C-O 3.25Å; G70-G102 WeakPolarHBondContact CA-O 3.45Å; N72-G102 WeakPolarHBondContact CA-O 3.09Å; N72-G102 PolarHBondContact N-O 3.33Å; G102-N257 WeakPolarHBondContact CA-OD1 3.47Å; G102-N257 PolarHBondContact N-OD1 3.15Å
103S98.6Very high98.5Very high0 Ų016.1 Ų16.10%09%0.089CC..EExtended strand (participates in β ladder)trans-102.5173.9177.6-163.90000111.8K101 L258 Q260K101-S103 PolarHBondContact O-N 3.13Å; S103-L258 WeakPolarHBondContact CB-O 3.42Å; S103-L258 PolarHBondContact N-O 3.06Å; S103-L258 VanDerWaalsContact N-O 3.11Å; S103-L258 PolarHBondContact O-N 3.27Å; S103-Q260 PolarHBondContact OG-NE2 3.41Å; S103-Q260 VanDerWaalsContact OG-NE2 3.11Å; S103-Q260 PolarHBondContact OG-OE1 3.1Å
104N98.2Very high98.5Very high3 Ų316.2 Ų16.22%0.0168%0.082CC..  trans-125.9-179.6174.1-72-72.8000110.3N72 L73 G75 Y106 A256 Q260N72-N104 PolarHBondContact O-ND2 3.19Å; N72-N104 PolarHBondContact OD1-ND2 3.13Å; L73-N104 PolarHBondContact O-ND2 3.38Å; G75-N104 WeakPolarHBondContact CA-O 3.4Å; N104-Y106 PolarHBondContact O-N 2.99Å; N104-A256 WeakPolarHBondContact OD1-CB 3.43Å; N104-Q260 PolarHBondContact O-NE2 3.2Å; N104-Q260 VanDerWaalsContact O-NE2 3.09Å
105H97.2Very high98.5Very high27 Ų2718.5 Ų18.513%0.1259%0.088CC..  trans-55.6128.7-178.8-175.4-88.5000111.5H33 M40 Y41 G107 W249H33-H105 AromaticContact CD2-CE1 3.84Å; H33-H105 AromaticContact CD2-NE2 3.84Å; M40-H105 HydrophobicContact CE-CB 3.91Å; Y41-H105 VanDerWaalsContact CE1-O 3.25Å; Y41-H105 WeakPolarHBondContact CE1-O 3.3Å; Y41-H105 AromaticContact CZ-ND1 3.66Å; Y41-H105 PolarHBondContact OH-ND1 3.35Å; Y41-H105 PolarHBondContact OH-O 3.25Å; H105-G107 PolarHBondContact CE1-N 3.47Å; H105-G107 PolarHBondContact ND1-N 3.11Å; H105-W249 AromaticContact CD2-CH2 3.78Å; H105-W249 AromaticContact CD2-CZ3 3.7Å; H105-W249 AromaticContact NE2-CH2 3.86Å
106Y97.8Very high98.5Very high2 Ų215.5 Ų15.51%0.0087%0.073CC..  trans-110.712.8-168.472.3-0.5000115N104 A109 Y112 S125 F126 T127 Q260 F262N104-Y106 PolarHBondContact O-N 2.99Å; Y106-A109 HydrophobicContact CE1-CB 4.13Å; Y106-A109 WeakPolarHBondContact OH-CB 3.31Å; Y106-Y112 WeakPolarHBondContact CB-OH 3.47Å; Y106-Y112 HydrophobicContact CD1-CE2 4.18Å; Y106-Y112 HydrophobicContact CD2-CD2 4.07Å; Y106-Y112 AromaticContact CD2-CE2 3.48Å; Y106-Y112 HydrophobicContact CD2-CE2 3.48Å; Y106-Y112 VanDerWaalsContact CD2-CE2 3.48Å; Y106-Y112 HydrophobicContact CE2-CD2 4.09Å; Y106-Y112 AromaticContact CE2-CE2 3.93Å; Y106-Y112 HydrophobicContact CE2-CE2 3.93Å; Y106-Y112 AromaticContact CG-CE2 3.62Å; Y106-Y112 HydrophobicContact CG-CE2 3.62Å; Y106-Y112 PolarHBondContact O-OH 3.34Å; Y106-S125 PolarHBondContact OH-OG 2.95Å; Y106-F126 VanDerWaalsContact OH-C 3.29Å; Y106-T127 HydrophobicContact CD1-CG2 4.11Å; Y106-T127 HydrophobicContact CE1-CG2 3.34Å; Y106-T127 HydrophobicContact CE2-CG2 4.19Å; Y106-T127 VanDerWaalsContact CZ-CB 3.42Å; Y106-T127 WeakPolarHBondContact OH-CB 3.41Å; Y106-T127 WeakPolarHBondContact OH-CG2 3.39Å; Y106-T127 PolarHBondContact OH-N 2.72Å; Y106-Q260 HydrophobicContact CD2-CG 3.81Å; Y106-Q260 HydrophobicContact CE2-CG 3.82Å; Y106-F262 HydrophobicContact CD2-CE1 4.26Å; Y106-F262 AromaticContact CD2-CZ 3.95Å; Y106-F262 HydrophobicContact CD2-CZ 3.95Å; Y106-F262 HydrophobicContact CE2-CE1 4.03Å; Y106-F262 AromaticContact CE2-CZ 3.95Å; Y106-F262 HydrophobicContact CE2-CZ 3.95Å
107G96.8Very high98.5Very high4 Ų416.2 Ų16.24%0.0418%0.077CC..SBendtrans75.6-143.1-176.400000112.8Y41 H105Y41-G107 PolarHBondContact OH-N 2.83Å; H105-G107 PolarHBondContact CE1-N 3.47Å; H105-G107 PolarHBondContact ND1-N 3.11Å
108I97.9Very high98.4Very high5 Ų517.1 Ų17.13%0.02610%0.099CC..  trans-78.2130.8-179.854.8160.4000111.3V21 A25 H30 H33 G110 H111 D163V21-I108 HydrophobicContact CG2-CG1 4.17Å; A25-I108 HydrophobicContact CB-CD1 4.31Å; A25-I108 HydrophobicContact CB-CG1 4.16Å; A25-I108 HydrophobicContact CB-CG2 3.75Å; H30-I108 HydrophobicContact CB-CG2 4.02Å; H33-I108 HydrophobicContact CB-CG2 3.61Å; I108-G110 PolarHBondContact O-N 2.95Å; I108-H111 HydrophobicContact CD1-CB 4.35Å; I108-H111 HydrophobicContact CG1-CB 3.99Å; I108-H111 WeakPolarHBondContact O-CB 3.3Å; I108-H111 PolarHBondContact O-N 3.14Å; I108-D163 WeakPolarHBondContact CB-OD2 3.32Å
109A98.5Very high98.4Very high1 Ų120.9 Ų20.91%0.00812%0.122CC..THydrogen-bonded Turntrans-64.8-31.8-177.100000111.8Y106 H111 Y112 A113 S125 P147 D163Y106-A109 HydrophobicContact CE1-CB 4.13Å; Y106-A109 WeakPolarHBondContact OH-CB 3.31Å; A109-H111 PolarHBondContact O-N 2.99Å; A109-Y112 PolarHBondContact O-N 3.11Å; A109-A113 PolarHBondContact O-N 3.12Å; A109-S125 VanDerWaalsContact O-CB 3.3Å; A109-S125 WeakPolarHBondContact O-CB 3.44Å; A109-P147 HydrophobicContact CB-CG 4.48Å; A109-D163 PolarHBondContact N-OD2 2.79Å
110G98.5Very high98.3Very high0 Ų022 Ų220%014%0.136CC..Hα-helixtrans-61.2-24.6178.200000114.2I108 Y112 A113 M114 S149 D163I108-G110 PolarHBondContact O-N 2.95Å; G110-Y112 VanDerWaalsContact C-N 3.27Å; G110-Y112 PolarHBondContact O-N 3.03Å; G110-A113 PolarHBondContact O-N 2.88Å; G110-M114 VanDerWaalsContact O-CB 3.3Å; G110-M114 WeakPolarHBondContact O-CB 3.43Å; G110-M114 VanDerWaalsContact O-CE 3.24Å; G110-M114 WeakPolarHBondContact O-CE 3.41Å; G110-M114 VanDerWaalsContact O-CG 3.26Å; G110-M114 WeakPolarHBondContact O-CG 3.46Å; G110-M114 PolarHBondContact O-N 3.03Å; G110-S149 VanDerWaalsContact CA-OG 3.24Å; G110-S149 WeakPolarHBondContact CA-OG 3.46Å; G110-D163 WeakPolarHBondContact CA-OD2 3.41Å; G110-D163 VanDerWaalsContact N-CG 3.28Å; G110-D163 PolarHBondContact N-OD2 3.21Å
111H98.7Very high98.3Very high40 Ų4022.3 Ų22.319%0.18514%0.138CC..Hα-helixtrans-57.4-42.7176.8-179.182.4000111.6V21 I108 A109 K115V21-H111 HydrophobicContact CG2-CB 3.82Å; I108-H111 HydrophobicContact CD1-CB 4.35Å; I108-H111 HydrophobicContact CG1-CB 3.99Å; I108-H111 WeakPolarHBondContact O-CB 3.3Å; I108-H111 PolarHBondContact O-N 3.14Å; A109-H111 PolarHBondContact O-N 2.99Å; H111-K115 PolarHBondContact O-N 3.34Å
112Y98.9Very high98.3Very high0 Ų021.3 Ų21.30%014%0.135CC..Hα-helixtrans-76.7-44.1179.2-49.2-70.8000111.6P76 M83 Y106 A109 G110 M114 K115 F262P76-Y112 VanDerWaalsContact CA-OH 3.24Å; P76-Y112 WeakPolarHBondContact CA-OH 3.35Å; M83-Y112 WeakPolarHBondContact CE-O 3.43Å; M83-Y112 WeakPolarHBondContact CG-O 3.44Å; Y106-Y112 WeakPolarHBondContact CB-OH 3.47Å; Y106-Y112 HydrophobicContact CD1-CE2 4.18Å; Y106-Y112 HydrophobicContact CD2-CD2 4.07Å; Y106-Y112 AromaticContact CD2-CE2 3.48Å; Y106-Y112 HydrophobicContact CD2-CE2 3.48Å; Y106-Y112 VanDerWaalsContact CD2-CE2 3.48Å; Y106-Y112 HydrophobicContact CE2-CD2 4.09Å; Y106-Y112 AromaticContact CE2-CE2 3.93Å; Y106-Y112 HydrophobicContact CE2-CE2 3.93Å; Y106-Y112 AromaticContact CG-CE2 3.62Å; Y106-Y112 HydrophobicContact CG-CE2 3.62Å; Y106-Y112 PolarHBondContact O-OH 3.34Å; A109-Y112 PolarHBondContact O-N 3.11Å; G110-Y112 VanDerWaalsContact C-N 3.27Å; G110-Y112 PolarHBondContact O-N 3.03Å; Y112-M114 VanDerWaalsContact C-N 3.3Å; Y112-M114 PolarHBondContact O-N 3.18Å; Y112-K115 VanDerWaalsContact O-CB 3.24Å; Y112-K115 WeakPolarHBondContact O-CB 3.29Å; Y112-K115 PolarHBondContact O-N 3.3Å; Y112-F262 HydrophobicContact CD1-CE1 4.16Å; Y112-F262 AromaticContact CD2-CE1 3.76Å; Y112-F262 HydrophobicContact CD2-CE1 3.76Å; Y112-F262 HydrophobicContact CE2-CE1 4.41Å; Y112-F262 HydrophobicContact CG-CD1 4.17Å; Y112-F262 AromaticContact CG-CE1 3.63Å; Y112-F262 HydrophobicContact CG-CE1 3.63Å
113A98.9Very high98.3Very high0 Ų021 Ų210%013%0.131CC..Hα-helixtrans-57.4-44.7177.700000111.5A109 G110 K115 A116 S117 G123 S149 A151A109-A113 PolarHBondContact O-N 3.12Å; G110-A113 PolarHBondContact O-N 2.88Å; A113-K115 VanDerWaalsContact C-N 3.25Å; A113-K115 PolarHBondContact O-N 2.7Å; A113-A116 PolarHBondContact O-N 3.2Å; A113-S117 PolarHBondContact O-N 2.98Å; A113-G123 WeakPolarHBondContact CB-O 3.36Å; A113-S149 WeakPolarHBondContact CB-OG 3.26Å; A113-A151 HydrophobicContact CB-CB 3.83Å
114M98.7Very high98.3Very high48 Ų4823 Ų2324%0.23614%0.141CC..Hα-helixtrans-64.8-27.5177.6-72.6-175.5-69.400113.1G110 Y112 A116 S117 A118 A151 V161G110-M114 VanDerWaalsContact O-CB 3.3Å; G110-M114 WeakPolarHBondContact O-CB 3.43Å; G110-M114 VanDerWaalsContact O-CE 3.24Å; G110-M114 WeakPolarHBondContact O-CE 3.41Å; G110-M114 VanDerWaalsContact O-CG 3.26Å; G110-M114 WeakPolarHBondContact O-CG 3.46Å; G110-M114 PolarHBondContact O-N 3.03Å; Y112-M114 VanDerWaalsContact C-N 3.3Å; Y112-M114 PolarHBondContact O-N 3.18Å; M114-A116 VanDerWaalsContact C-N 3.32Å; M114-A116 PolarHBondContact O-N 3.02Å; M114-S117 CarbonylContact O-C 3.52Å; M114-S117 PolarHBondContact O-N 3.35Å; M114-A118 WeakPolarHBondContact O-CB 3.24Å; M114-A118 PolarHBondContact O-N 3.26Å; M114-A151 HydrophobicContact CG-CB 4.05Å; M114-V161 HydrophobicContact CG-CG1 3.86Å; M114-V161 HydrophobicContact CG-CG2 4.01Å; M114-V161 HydrophobicContact SD-CG1 3.88Å; M114-V161 HydrophobicContact SD-CG2 4.15Å
115K98.7Very high98.4Very high62 Ų6222.9 Ų22.927%0.2714%0.14SC..Hα-helixtrans-60.1-41.5175-163.9179.8-168.1-177.80111.9N80 M83 D84 I87 H111 Y112 A113N80-K115 PolarHBondContact OD1-NZ 3.45Å; M83-K115 HydrophobicContact CG-CB 4.17Å; M83-K115 HydrophobicContact CG-CD 4.36Å; D84-K115 WeakPolarHBondContact OD1-CE 3.31Å; D84-K115 IonicContact OD1-NZ 3.64Å; D84-K115 PolarHBondContact OD1-NZ 3.1Å; D84-K115 IonicContact OD2-NZ 3.41Å; D84-K115 PolarHBondContact OD2-NZ 2.93Å; I87-K115 HydrophobicContact CD1-CG 4.27Å; H111-K115 PolarHBondContact O-N 3.34Å; Y112-K115 VanDerWaalsContact O-CB 3.24Å; Y112-K115 WeakPolarHBondContact O-CB 3.29Å; Y112-K115 PolarHBondContact O-N 3.3Å; A113-K115 VanDerWaalsContact C-N 3.25Å; A113-K115 PolarHBondContact O-N 2.7Å
116A98.8Very high98.5Very high0 Ų021.9 Ų21.90%014%0.135CC..Hα-helixtrans-70.5-40.8173.200000111.8M83 I87 A113 M114 A118 V119 L121 A264M83-A116 HydrophobicContact SD-CB 3.88Å; I87-A116 HydrophobicContact CD1-CB 4.12Å; I87-A116 HydrophobicContact CG1-CB 3.86Å; A113-A116 PolarHBondContact O-N 3.2Å; M114-A116 VanDerWaalsContact C-N 3.32Å; M114-A116 PolarHBondContact O-N 3.02Å; A116-A118 VanDerWaalsContact C-N 3.25Å; A116-A118 PolarHBondContact O-N 2.75Å; A116-V119 WeakPolarHBondContact O-CG2 3.14Å; A116-V119 PolarHBondContact O-N 3.15Å; A116-V119 VanDerWaalsContact O-N 3.11Å; A116-L121 CarbonylContact C-O 3.24Å; A116-L121 HydrophobicContact CB-CB 4.24Å; A116-L121 PolarHBondContact O-N 3.01Å; A116-L121 VanDerWaalsContact O-N 3.14Å; A116-A264 HydrophobicContact CB-CB 4.17Å
117S98.5Very high98.5Very high14 Ų1422.2 Ų22.210%0.09814%0.137CC..Hα-helixtrans-59.5-33.5175.3-170.30000113.8A113 M114 V119 G120 L121A113-S117 PolarHBondContact O-N 2.98Å; M114-S117 CarbonylContact O-C 3.52Å; M114-S117 PolarHBondContact O-N 3.35Å; S117-V119 PolarHBondContact O-N 3.15Å; S117-G120 PolarHBondContact O-N 3.28Å; S117-L121 WeakPolarHBondContact CA-O 3.46Å; S117-L121 PolarHBondContact N-O 2.81Å
118A97.9Very high98.6Very high88 Ų8822 Ų2273%0.72714%0.135SC*.THydrogen-bonded Turntrans-65.7-20.4178.800000113.3M114 A116M114-A118 WeakPolarHBondContact O-CB 3.24Å; M114-A118 PolarHBondContact O-N 3.26Å; A116-A118 VanDerWaalsContact C-N 3.25Å; A116-A118 PolarHBondContact O-N 2.75Å
119V98Very high98.6Very high79 Ų7922.1 Ų22.148%0.47914%0.137SC..THydrogen-bonded Turntrans-108.720.7176.8-61.10000112.7I87 A116 S117 L121I87-V119 HydrophobicContact CD1-CG2 4.3Å; I87-V119 HydrophobicContact CG1-CG2 4.44Å; I87-V119 HydrophobicContact CG2-CG2 3.92Å; A116-V119 WeakPolarHBondContact O-CG2 3.14Å; A116-V119 PolarHBondContact O-N 3.15Å; A116-V119 VanDerWaalsContact O-N 3.11Å; S117-V119 PolarHBondContact O-N 3.15Å; V119-L121 HydrophobicContact CG2-CD1 4.05Å; V119-L121 HydrophobicContact CG2-CG 4.18Å
120G97.8Very high98.5Very high34 Ų3422.5 Ų22.535%0.35114%0.139SC..THydrogen-bonded Turntrans83.18.7173.800000115.5S117 P267S117-G120 PolarHBondContact O-N 3.28Å; G120-P267 WeakPolarHBondContact O-CD 3.03Å; G120-P267 WeakPolarHBondContact O-CG 3.34Å
121L98.8Very high98.4Very high7 Ų723.5 Ų23.54%0.03715%0.145CC..SBendtrans-100158.1178.3-55.6175.2000111I87 A90 Q91 A116 S117 V119 P153 A264 I265 D266I87-L121 HydrophobicContact CB-CD1 4.2Å; I87-L121 HydrophobicContact CG1-CD1 4.16Å; I87-L121 HydrophobicContact CG2-CD1 3.88Å; A90-L121 HydrophobicContact CB-CD1 3.99Å; Q91-L121 HydrophobicContact CG-CD1 4.33Å; A116-L121 CarbonylContact C-O 3.24Å; A116-L121 HydrophobicContact CB-CB 4.24Å; A116-L121 PolarHBondContact O-N 3.01Å; A116-L121 VanDerWaalsContact O-N 3.14Å; S117-L121 WeakPolarHBondContact CA-O 3.46Å; S117-L121 PolarHBondContact N-O 2.81Å; V119-L121 HydrophobicContact CG2-CD1 4.05Å; V119-L121 HydrophobicContact CG2-CG 4.18Å; L121-P153 WeakPolarHBondContact O-CD 3.27Å; L121-A264 HydrophobicContact CD1-CB 4.19Å; L121-I265 CarbonylContact C-O 3.44Å; L121-I265 WeakPolarHBondContact CA-O 3.46Å; L121-D266 HydrophobicContact CD2-CB 3.79Å
122L98.9Very high98.3Very high26 Ų2622.8 Ų22.814%0.13614%0.143CC..EExtended strand (participates in β ladder)trans-76.5139.7161.6-65.869.4000108.3L150 A151 A152 A264 I265 P267 F274L122-L150 HydrophobicContact CB-CD1 4.44Å; L122-L150 HydrophobicContact CD2-CD1 4.48Å; L122-A151 CarbonylContact C-O 3.14Å; L122-A151 WeakPolarHBondContact CA-O 3.33Å; L122-A152 HydrophobicContact CD2-CB 4.38Å; L122-A152 HydrophobicContact CG-CB 3.97Å; L122-A264 CarbonylContact O-C 3.54Å; L122-A264 VanDerWaalsContact O-CA 3.28Å; L122-A264 WeakPolarHBondContact O-CA 3.19Å; L122-I265 HydrophobicContact CB-CB 4.18Å; L122-I265 PolarHBondContact N-O 3.38Å; L122-I265 PolarHBondContact O-N 2.92Å; L122-P267 HydrophobicContact CD1-CB 3.78Å; L122-P267 HydrophobicContact CD1-CG 4.01Å; L122-F274 HydrophobicContact CD1-CD1 4.39Å; L122-F274 HydrophobicContact CD1-CE1 3.8Å; L122-F274 HydrophobicContact CD1-CE2 4.08Å; L122-F274 HydrophobicContact CD1-CZ 3.63Å; L122-F274 HydrophobicContact CD2-CE2 4.19Å; L122-F274 HydrophobicContact CD2-CZ 3.86Å; L122-F274 HydrophobicContact CG-CE1 4.33Å; L122-F274 HydrophobicContact CG-CZ 3.92Å
123G98.9Very high98.3Very high0 Ų023 Ų230%014%0.144CC..EExtended strand (participates in β ladder)trans-119.2138.4175.900000111.8A113 L150 A151 V263A113-G123 WeakPolarHBondContact CB-O 3.36Å; G123-L150 CarbonylContact O-C 3.56Å; G123-L150 VanDerWaalsContact O-CA 3.32Å; G123-L150 WeakPolarHBondContact O-CA 3.43Å; G123-A151 PolarHBondContact N-O 2.94Å; G123-A151 PolarHBondContact O-N 3.4Å; G123-V263 CarbonylContact C-O 3.14Å; G123-V263 WeakPolarHBondContact CA-O 3.43Å
124M98.9Very high98.2Very high44 Ų4423.3 Ų23.322%0.21715%0.146CC..EExtended strand (participates in β ladder)trans-127.7146170.3-48.1177.878.900110.8M83 F126 S149 L150 F262 V263 I265M83-M124 WeakPolarHBondContact CE-O 3.45Å; M124-F126 HydrophobicContact CB-CE2 3.77Å; M124-F126 HydrophobicContact CB-CZ 4.09Å; M124-F126 HydrophobicContact CE-CE1 4.41Å; M124-F126 HydrophobicContact CE-CE2 4.32Å; M124-F126 HydrophobicContact CE-CZ 3.56Å; M124-F126 HydrophobicContact SD-CZ 4.33Å; M124-S149 WeakPolarHBondContact CA-O 3.45Å; M124-S149 WeakPolarHBondContact CB-O 3.29Å; M124-L150 HydrophobicContact CG-CD1 3.8Å; M124-F262 WeakPolarHBondContact O-CA 3.42Å; M124-V263 HydrophobicContact CB-CB 4.01Å; M124-V263 HydrophobicContact CB-CG2 4.4Å; M124-V263 HydrophobicContact CG-CB 4.34Å; M124-V263 PolarHBondContact N-O 3.22Å; M124-V263 PolarHBondContact O-N 2.88Å; M124-V263 HydrophobicContact SD-CB 4.44Å; M124-I265 HydrophobicContact SD-CD1 4.33Å
125S98.9Very high98.1Very high0 Ų021.9 Ų21.90%014%0.14CC..EExtended strand (participates in β ladder)trans-141.4141.3174-174.30000111.3Y106 A109 S149 C261 F262Y106-S125 PolarHBondContact OH-OG 2.95Å; A109-S125 VanDerWaalsContact O-CB 3.3Å; A109-S125 WeakPolarHBondContact O-CB 3.44Å; S125-S149 PolarHBondContact N-O 3.24Å; S125-S149 VanDerWaalsContact N-O 3.16Å; S125-S149 PolarHBondContact O-N 3.32Å; S125-C261 WeakPolarHBondContact CA-O 3.4Å; S125-F262 WeakPolarHBondContact OG-CE1 3.44Å
126F98.9Very high97.8Very high6 Ų620.5 Ų20.53%0.02614%0.137CC..EExtended strand (participates in β ladder)trans-140148-179.3-46.6-93.4000109.5Y106 M124 I148 M229 V230 C234 Q260 C261 V263Y106-F126 VanDerWaalsContact OH-C 3.29Å; M124-F126 HydrophobicContact CB-CE2 3.77Å; M124-F126 HydrophobicContact CB-CZ 4.09Å; M124-F126 HydrophobicContact CE-CE1 4.41Å; M124-F126 HydrophobicContact CE-CE2 4.32Å; M124-F126 HydrophobicContact CE-CZ 3.56Å; M124-F126 HydrophobicContact SD-CZ 4.33Å; F126-I148 HydrophobicContact CD1-CB 4.21Å; F126-I148 HydrophobicContact CD1-CG1 3.88Å; F126-I148 HydrophobicContact CD1-CG2 4.05Å; F126-I148 HydrophobicContact CE1-CB 4.23Å; F126-I148 HydrophobicContact CE1-CG1 4.05Å; F126-I148 HydrophobicContact CE1-CG2 3.59Å; F126-M229 HydrophobicContact CE1-CE 4.42Å; F126-V230 HydrophobicContact CB-CG1 4.31Å; F126-V230 HydrophobicContact CD1-CG2 4.09Å; F126-C234 VanDerWaalsContact C-SG 3.56Å; F126-Q260 WeakPolarHBondContact O-CA 3.24Å; F126-C261 HydrophobicContact CB-CB 4.19Å; F126-C261 HydrophobicContact CD2-CB 3.88Å; F126-C261 HydrophobicContact CG-CB 4.46Å; F126-C261 PolarHBondContact N-O 3.28Å; F126-C261 PolarHBondContact O-N 3.32Å; F126-V263 HydrophobicContact CE2-CG2 4.25Å
127T98.8Very high97.6Very high8 Ų829.5 Ų29.55%0.04917%0.171CC..EExtended strand (participates in β ladder)trans-146.1145.9168.4-1680000109.5Y106 N146 P147 V230 C234 G259 Q260Y106-T127 HydrophobicContact CD1-CG2 4.11Å; Y106-T127 HydrophobicContact CE1-CG2 3.34Å; Y106-T127 HydrophobicContact CE2-CG2 4.19Å; Y106-T127 VanDerWaalsContact CZ-CB 3.42Å; Y106-T127 WeakPolarHBondContact OH-CB 3.41Å; Y106-T127 WeakPolarHBondContact OH-CG2 3.39Å; Y106-T127 PolarHBondContact OH-N 2.72Å; T127-N146 WeakPolarHBondContact O-CA 3.28Å; T127-P147 HydrophobicContact CG2-CG 3.7Å; T127-P147 WeakPolarHBondContact O-CD 3.5Å; T127-V230 WeakPolarHBondContact O-CG1 3.1Å; T127-C234 VanDerWaalsContact CA-SG 3.55Å; T127-G259 WeakPolarHBondContact CA-O 3.45Å; T127-G259 PolarHBondContact OG1-O 3.37Å; T127-Q260 VanDerWaalsContact OG1-CG 3.3Å; T127-Q260 WeakPolarHBondContact OG1-CG 3.31Å
128N98.6Very high97.5Very high0 Ų030.2 Ų30.20%018%0.176CC..  trans-83.9166.3156.366.65.6000109.9N146 E231 C234 G235 N241 I246 G259N128-N146 WeakPolarHBondContact CA-OD1 3.36Å; N128-E231 WeakPolarHBondContact CB-OE1 3.3Å; N128-E231 PolarHBondContact ND2-OE2 3.34Å; N128-C234 HydrophobicContact CB-CB 3.98Å; N128-G235 WeakPolarHBondContact ND2-CA 3.39Å; N128-G235 PolarHBondContact ND2-N 2.94Å; N128-N241 PolarHBondContact ND2-O 3.16Å; N128-I246 HydrophobicContact CB-CD1 4.14Å; N128-G259 PolarHBondContact N-O 2.96Å; N128-G259 VanDerWaalsContact N-O 3.17Å; N128-G259 PolarHBondContact OD1-N 3.24Å; N128-G259 PolarHBondContact OD1-O 3.06Å
129T97.4Very high97.3Very high8 Ų833.5 Ų33.55%0.04917%0.169CC..  trans-153.4174.2179.4-171.20000110.2G144 N146 I246T129-G144 WeakPolarHBondContact O-CA 3.39Å; T129-N146 PolarHBondContact N-OD1 3.04Å; T129-I246 WeakPolarHBondContact O-CD1 3.32Å
130S96.9Very high97.1Very high8 Ų835.3 Ų35.36%0.05617%0.172CC..SBendtrans-46.4143.4177.9-610000112.6L132 G144 R247 W249S130-L132 WeakPolarHBondContact O-CG 3.2Å; S130-L132 PolarHBondContact O-N 2.86Å; S130-L132 VanDerWaalsContact O-N 3.13Å; S130-G144 WeakPolarHBondContact O-CA 2.95Å; S130-R247 WeakPolarHBondContact CB-O 3.5Å; S130-R247 PolarHBondContact OG-O 3.38Å; S130-W249 PolarHBondContact OG-N 2.91Å
131P96.9Very high97Very high21 Ų2135.4 Ų35.414%0.13617%0.166CC..SBendtrans-63.8115.6-177.726.1-34.8000111.3M143 I246P131-M143 CarbonylContact C-O 3.6Å; P131-M143 WeakPolarHBondContact CA-O 3.34Å; P131-I246 WeakPolarHBondContact CD-O 3.39Å
132L96.8Very high96.9Very high25 Ų2537.4 Ų37.413%0.13118%0.176CC..  trans-134.8-11.5-175.5-71.3173.2000113S130 M143 T145 L171 G208 L209 W249S130-L132 WeakPolarHBondContact O-CG 3.2Å; S130-L132 PolarHBondContact O-N 2.86Å; S130-L132 VanDerWaalsContact O-N 3.13Å; L132-M143 PolarHBondContact N-O 3.37Å; L132-T145 HydrophobicContact CD1-CG2 4.37Å; L132-L171 HydrophobicContact CD1-CB 4.31Å; L132-L171 HydrophobicContact CD1-CD2 3.89Å; L132-L171 HydrophobicContact CD2-CD2 3.73Å; L132-L171 HydrophobicContact CG-CD2 4.46Å; L132-G208 CarbonylContact O-C 3.57Å; L132-G208 WeakPolarHBondContact O-CA 3.28Å; L132-L209 HydrophobicContact CB-CD1 4.39Å; L132-L209 PolarHBondContact O-N 2.92Å; L132-W249 HydrophobicContact CD1-CB 4.5Å; L132-W249 HydrophobicContact CD1-CG 4.48Å; L132-W249 HydrophobicContact CD2-CB 3.94Å; L132-W249 HydrophobicContact CD2-CG 4.43Å; L132-W249 HydrophobicContact CG-CB 4.49Å
133S97.4Very high96.7Very high4 Ų437 Ų373%0.02817%0.174CC..BIsolated β-bridgetrans-124.2147.7-175.272.70000112.8V141 M142 M143 G144 L209S133-V141 VanDerWaalsContact O-CA 3.31Å; S133-V141 WeakPolarHBondContact O-CA 3.4Å; S133-M142 PolarHBondContact O-N 3.44Å; S133-M143 PolarHBondContact N-O 3.28Å; S133-M143 PolarHBondContact O-N 2.9Å; S133-M143 WeakPolarHBondContact OG-CB 3.46Å; S133-M143 PolarHBondContact OG-O 2.99Å; S133-G144 PolarHBondContact OG-O 2.94Å; S133-L209 VanDerWaalsContact CA-O 3.28Å; S133-L209 WeakPolarHBondContact CA-O 3.15Å
134F97.3Very high96.6Very high8 Ų837 Ų374%0.03517%0.174CC..PPolyproline II helixtrans-84125.7175.6-65-87.2000110.1Q140 V141 A190 D191 G208 L209 P211F134-Q140 VanDerWaalsContact CD1-C 3.42Å; F134-Q140 WeakPolarHBondContact CD1-O 3.21Å; F134-V141 HydrophobicContact CD1-CG1 4.27Å; F134-V141 HydrophobicContact CD2-CG1 4.09Å; F134-V141 HydrophobicContact CE1-CG1 4.03Å; F134-V141 HydrophobicContact CE2-CG1 3.88Å; F134-V141 HydrophobicContact CG-CG1 4.29Å; F134-V141 HydrophobicContact CZ-CG1 3.83Å; F134-A190 HydrophobicContact CD2-CB 4.03Å; F134-A190 HydrophobicContact CE2-CB 3.7Å; F134-A190 HydrophobicContact CZ-CB 4.42Å; F134-D191 WeakPolarHBondContact CZ-O 3.5Å; F134-G208 VanDerWaalsContact CE2-CA 3.43Å; F134-L209 PolarHBondContact N-O 3.43Å; F134-L209 VanDerWaalsContact N-O 3.1Å; F134-P211 WeakPolarHBondContact O-CD 3.2Å; F134-P211 VanDerWaalsContact O-CG 3.29Å; F134-P211 WeakPolarHBondContact O-CG 3.48Å
135P96.6Very high96.5Very high18 Ų1835.9 Ų35.912%0.11717%0.169CC..PPolyproline II helixtrans-52.2150.6158.6-23.632.4000110.2R137 S138 M142 M143 Y224P135-R137 PolarHBondContact O-N 3.3Å; P135-S138 WeakPolarHBondContact O-CB 3.47Å; P135-S138 PolarHBondContact O-N 3.06Å; P135-M142 HydrophobicContact CG-CB 3.7Å; P135-M142 HydrophobicContact CG-CG 4.06Å; P135-M143 HydrophobicContact CG-CG 4.28Å; P135-Y224 HydrophobicContact CB-CD2 4.17Å; P135-Y224 HydrophobicContact CB-CE1 4.23Å; P135-Y224 HydrophobicContact CB-CE2 3.72Å; P135-Y224 HydrophobicContact CG-CE2 4.19Å
136T93.7Very high96.5Very high32 Ų3235.9 Ų35.920%0.19617%0.169CC..THydrogen-bonded Turntrans-55.1131.6178.4-650000110.4S138 E216 Y221T136-S138 PolarHBondContact O-N 3.43Å; T136-E216 HydrophobicContact CG2-CB 4.09Å; T136-E216 HydrophobicContact CG2-CG 4.11Å; T136-Y221 VanDerWaalsContact OG1-CA 3.27Å; T136-Y221 WeakPolarHBondContact OG1-CA 3.17Å; T136-Y221 PolarHBondContact OG1-N 3.15Å
137R94.2Very high96.5Very high189 Ų18936.4 Ų36.471%0.71317%0.173SC*.THydrogen-bonded Turntrans67.7-2.8-173.8-55.5164.4-178.8177.9-1.2116.2P135 E216P135-R137 PolarHBondContact O-N 3.3Å; R137-E216 WeakPolarHBondContact CG-OE2 3.47Å; R137-E216 IonicContact CZ-OE1 2.59Å; R137-E216 VanDerWaalsContact CZ-OE1 3.29Å; R137-E216 IonicContact CZ-OE2 2.89Å; R137-E216 VanDerWaalsContact NE-CD 3.34Å; R137-E216 IonicContact NE-OE1 3.25Å; R137-E216 PolarHBondContact NE-OE1 3.37Å; R137-E216 IonicContact NE-OE2 2.69Å; R137-E216 PolarHBondContact NE-OE2 2.87Å; R137-E216 IonicContact NH2-OE1 2.76Å; R137-E216 PolarHBondContact NH2-OE1 3.16Å; R137-E216 IonicContact NH2-OE2 3.9Å
138S94.9Very high96.4Very high30 Ų3036.9 Ų36.921%0.2118%0.175CC..  trans-66.9159.3175.9-172.60000112P135 T136 Q140P135-S138 WeakPolarHBondContact O-CB 3.47Å; P135-S138 PolarHBondContact O-N 3.06Å; T136-S138 PolarHBondContact O-N 3.43Å; S138-Q140 PolarHBondContact OG-N 3.41Å; S138-Q140 PolarHBondContact OG-O 3.13Å
139R93.7Very high96.5Very high156 Ų15636.9 Ų36.959%0.58918%0.175SC*.SBendtrans-116.47.2170.7-60.7-72.7177.5-108.79.4112G193 G194R139-G193 WeakPolarHBondContact CD-O 3.45Å; R139-G193 PolarHBondContact NE-O 3.22Å; R139-G194 PolarHBondContact NH1-O 2.77Å
140Q94.9Very high96.5Very high117 Ų11738.7 Ų38.755%0.54719%0.185SC..SBendtrans-134.4139.1178.7-176.9177.81.300110F134 S138 M142F134-Q140 VanDerWaalsContact CD1-C 3.42Å; F134-Q140 WeakPolarHBondContact CD1-O 3.21Å; S138-Q140 PolarHBondContact OG-N 3.41Å; S138-Q140 PolarHBondContact OG-O 3.13Å; Q140-M142 HydrophobicContact CG-CG 4.4Å; Q140-M142 HydrophobicContact CG-SD 4.05Å
141V96.1Very high96.6Very high36 Ų3638.3 Ų38.322%0.21818%0.182CC..  trans-69.5128.9169.2-64.40000109.9S133 F134S133-V141 VanDerWaalsContact O-CA 3.31Å; S133-V141 WeakPolarHBondContact O-CA 3.4Å; F134-V141 HydrophobicContact CD1-CG1 4.27Å; F134-V141 HydrophobicContact CD2-CG1 4.09Å; F134-V141 HydrophobicContact CE1-CG1 4.03Å; F134-V141 HydrophobicContact CE2-CG1 3.88Å; F134-V141 HydrophobicContact CG-CG1 4.29Å; F134-V141 HydrophobicContact CZ-CG1 3.83Å
142M96.2Very high96.7Very high49 Ų4937.4 Ų37.424%0.24118%0.176CC..  trans-134.6-11.5-172.8-65.8-72.3-67.900113S133 P135 Q140 G243 K244S133-M142 PolarHBondContact O-N 3.44Å; P135-M142 HydrophobicContact CG-CB 3.7Å; P135-M142 HydrophobicContact CG-CG 4.06Å; Q140-M142 HydrophobicContact CG-CG 4.4Å; Q140-M142 HydrophobicContact CG-SD 4.05Å; M142-G243 CarbonylContact O-C 3.25Å; M142-G243 WeakPolarHBondContact O-CA 3.37Å; M142-K244 HydrophobicContact CE-CB 4.15Å; M142-K244 HydrophobicContact CE-CD 3.72Å; M142-K244 HydrophobicContact CE-CG 3.92Å; M142-K244 PolarHBondContact O-N 3.07Å; M142-K244 HydrophobicContact SD-CB 4.04Å; M142-K244 HydrophobicContact SD-CD 4.12Å; M142-K244 HydrophobicContact SD-CG 4.39Å
143M94.2Very high96.8Very high19 Ų1937.2 Ų37.29%0.09418%0.176CC..BIsolated β-bridgetrans-137.2149-168.7-61-69.4-71.700109.3P131 L132 S133 P135 Y224 A227 E231P131-M143 CarbonylContact C-O 3.6Å; P131-M143 WeakPolarHBondContact CA-O 3.34Å; L132-M143 PolarHBondContact N-O 3.37Å; S133-M143 PolarHBondContact N-O 3.28Å; S133-M143 PolarHBondContact O-N 2.9Å; S133-M143 WeakPolarHBondContact OG-CB 3.46Å; S133-M143 PolarHBondContact OG-O 2.99Å; P135-M143 HydrophobicContact CG-CG 4.28Å; M143-Y224 HydrophobicContact CG-CE2 4.37Å; M143-A227 HydrophobicContact CE-CB 4.29Å; M143-A227 WeakPolarHBondContact CE-O 3.22Å; M143-E231 HydrophobicContact CE-CB 4.12Å; M143-E231 HydrophobicContact CE-CG 3.19Å; M143-E231 HydrophobicContact SD-CG 3.86Å
144G97Very high96.8Very high0 Ų037.7 Ų37.70%018%0.181CC..  trans-72.7-173.9172.600000113.5T129 S130 S133 N146T129-G144 WeakPolarHBondContact O-CA 3.39Å; S130-G144 WeakPolarHBondContact O-CA 2.95Å; S133-G144 PolarHBondContact OG-O 2.94Å; G144-N146 WeakPolarHBondContact CA-OD1 3.08Å; G144-N146 PolarHBondContact N-OD1 3.06Å
145T97.4Very high96.9Very high19 Ų1940 Ų4012%0.11719%0.193CC..  trans-75.4-11.2167.354.40000112.7L132 T166 T167 L209L132-T145 HydrophobicContact CD1-CG2 4.37Å; T145-T166 PolarHBondContact O-N 3.2Å; T145-T166 PolarHBondContact O-OG1 3.39Å; T145-T167 HydrophobicContact CG2-CG2 4.19Å; T145-L209 HydrophobicContact CG2-CD1 3.44Å; T145-L209 VanDerWaalsContact CG2-CD1 3.44Å
146N98.3Very high96.8Very high0 Ų046 Ų460%022%0.224CC..  trans34.368.4166.3-69.616.3000113.4T127 N128 T129 G144 T166 A227 V230 E231T127-N146 WeakPolarHBondContact O-CA 3.28Å; N128-N146 WeakPolarHBondContact CA-OD1 3.36Å; T129-N146 PolarHBondContact N-OD1 3.04Å; G144-N146 WeakPolarHBondContact CA-OD1 3.08Å; G144-N146 PolarHBondContact N-OD1 3.06Å; N146-T166 WeakPolarHBondContact O-CB 3.46Å; N146-T166 WeakPolarHBondContact O-CG2 3.23Å; N146-T166 PolarHBondContact O-OG1 3.43Å; N146-A227 HydrophobicContact CB-CB 4.22Å; N146-A227 PolarHBondContact ND2-O 2.9Å; N146-V230 HydrophobicContact CB-CB 3.88Å; N146-V230 HydrophobicContact CB-CG1 3.7Å; N146-V230 HydrophobicContact CB-CG2 4.49Å; N146-E231 WeakPolarHBondContact ND2-CG 3.11Å; N146-E231 PolarHBondContact ND2-OE1 3.39Å; N146-E231 VanDerWaalsContact ND2-OE1 3.1Å
147P98.2Very high96.7Very high18 Ų1852.6 Ų52.612%0.11726%0.258CS..  trans-70.8157.4-171.330.6-37.3000113.1A109 T127 M164A109-P147 HydrophobicContact CB-CG 4.48Å; T127-P147 HydrophobicContact CG2-CG 3.7Å; T127-P147 WeakPolarHBondContact O-CD 3.5Å; P147-M164 CarbonylContact C-O 3.59Å; P147-M164 WeakPolarHBondContact CA-O 3.45Å; P147-M164 VanDerWaalsContact CB-O 3.23Å; P147-M164 WeakPolarHBondContact CB-O 3.33Å
148I98.8Very high96.9Very high17 Ų1745 Ų459%0.08723%0.232CC..EExtended strand (participates in β ladder)trans-125.5131.8174.4-61.1167.4000107.3F126 M164 T166 L226 M229 V230F126-I148 HydrophobicContact CD1-CB 4.21Å; F126-I148 HydrophobicContact CD1-CG1 3.88Å; F126-I148 HydrophobicContact CD1-CG2 4.05Å; F126-I148 HydrophobicContact CE1-CB 4.23Å; F126-I148 HydrophobicContact CE1-CG1 4.05Å; F126-I148 HydrophobicContact CE1-CG2 3.59Å; I148-M164 PolarHBondContact N-O 3.33Å; I148-M164 PolarHBondContact O-N 2.82Å; I148-M164 VanDerWaalsContact O-N 3.12Å; I148-T166 HydrophobicContact CD1-CG2 3.67Å; I148-T166 HydrophobicContact CG1-CG2 4Å; I148-L226 HydrophobicContact CD1-CB 4Å; I148-L226 HydrophobicContact CD1-CD2 4.09Å; I148-L226 HydrophobicContact CD1-CG 4.45Å; I148-M229 HydrophobicContact CD1-CE 3.7Å; I148-M229 HydrophobicContact CG1-CE 4.43Å; I148-V230 HydrophobicContact CD1-CG2 4.05Å; I148-V230 HydrophobicContact CG1-CG2 3.54Å
149S98.9Very high97.1Very high0 Ų044.7 Ų44.70%023%0.23CC..EExtended strand (participates in β ladder)trans-127.8144.4171.5-177.60000112.5G110 A113 M124 S125 L162G110-S149 VanDerWaalsContact CA-OG 3.24Å; G110-S149 WeakPolarHBondContact CA-OG 3.46Å; A113-S149 WeakPolarHBondContact CB-OG 3.26Å; M124-S149 WeakPolarHBondContact CA-O 3.45Å; M124-S149 WeakPolarHBondContact CB-O 3.29Å; S125-S149 PolarHBondContact N-O 3.24Å; S125-S149 VanDerWaalsContact N-O 3.16Å; S125-S149 PolarHBondContact O-N 3.32Å; S149-L162 CarbonylContact C-O 3.53Å; S149-L162 WeakPolarHBondContact CA-O 3.48Å; S149-L162 WeakPolarHBondContact CB-O 3.45Å; S149-L162 PolarHBondContact OG-O 2.86Å
150L98.9Very high97.3Very high47 Ų4739.4 Ų39.425%0.24621%0.211CC..EExtended strand (participates in β ladder)trans-137.3127.2169.9171.965.3000108.7L122 G123 M124 F160 V161 L162L122-L150 HydrophobicContact CB-CD1 4.44Å; L122-L150 HydrophobicContact CD2-CD1 4.48Å; G123-L150 CarbonylContact O-C 3.56Å; G123-L150 VanDerWaalsContact O-CA 3.32Å; G123-L150 WeakPolarHBondContact O-CA 3.43Å; M124-L150 HydrophobicContact CG-CD1 3.8Å; L150-F160 HydrophobicContact CB-CE1 4.44Å; L150-F160 HydrophobicContact CD2-CD1 4.37Å; L150-F160 HydrophobicContact CD2-CE1 4.04Å; L150-F160 HydrophobicContact CG-CD1 4.37Å; L150-F160 HydrophobicContact CG-CE1 4.27Å; L150-V161 WeakPolarHBondContact O-CA 3.42Å; L150-L162 PolarHBondContact N-O 2.89Å; L150-L162 PolarHBondContact O-N 2.88Å
151A98.9Very high97.5Very high0 Ų034 Ų340%019%0.186CC..EExtended strand (participates in β ladder)trans-118.2134.8167.500000109.8A113 M114 L122 G123 F160 V161A113-A151 HydrophobicContact CB-CB 3.83Å; M114-A151 HydrophobicContact CG-CB 4.05Å; L122-A151 CarbonylContact C-O 3.14Å; L122-A151 WeakPolarHBondContact CA-O 3.33Å; G123-A151 PolarHBondContact N-O 2.94Å; G123-A151 PolarHBondContact O-N 3.4Å; A151-F160 CarbonylContact C-O 3.51Å; A151-F160 VanDerWaalsContact CA-O 3.24Å; A151-F160 WeakPolarHBondContact CA-O 3.31Å; A151-V161 HydrophobicContact CB-CG2 4.26Å
152A98.9Very high97.6Very high2 Ų234.8 Ų34.82%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-136.5129.617800000110.5L122 S159 F160 F274 M278L122-A152 HydrophobicContact CD2-CB 4.38Å; L122-A152 HydrophobicContact CG-CB 3.97Å; A152-S159 WeakPolarHBondContact O-CA 3.41Å; A152-S159 WeakPolarHBondContact O-CB 3.45Å; A152-F160 HydrophobicContact CB-CB 4.39Å; A152-F160 PolarHBondContact N-O 3.26Å; A152-F160 PolarHBondContact O-N 3.46Å; A152-F274 HydrophobicContact CB-CE1 4.25Å; A152-F274 HydrophobicContact CB-CZ 4.11Å; A152-M278 HydrophobicContact CB-SD 4.36Å
153P98.3Very high97.7Very high20 Ų2034.2 Ų34.213%0.1319%0.186CC..EExtended strand (participates in β ladder)trans-73.7147.917830.4-34.2000111.3L121L121-P153 WeakPolarHBondContact O-CD 3.27Å
154A98.4Very high97.9Very high15 Ų1536 Ų3612%0.12420%0.196CC..  trans-123.4-160.3168.400000109.8D158 M278 Q279 M282A154-D158 HydrophobicContact CB-CB 4.43Å; A154-D158 PolarHBondContact N-O 2.81Å; A154-M278 HydrophobicContact CB-CB 4.26Å; A154-M278 HydrophobicContact CB-CG 4.17Å; A154-Q279 HydrophobicContact CB-CB 4.22Å; A154-M282 HydrophobicContact CB-CE 3.32Å
155I97.9Very high97.9Very high55 Ų5537.1 Ų37.128%0.28220%0.204SC..SBendtrans-86.2166176.966.9178.8000111.3N157 D158 A275 E276 Q279I155-N157 VanDerWaalsContact C-N 3.27Å; I155-N157 PolarHBondContact O-N 3.23Å; I155-N157 VanDerWaalsContact O-N 3.16Å; I155-D158 PolarHBondContact O-N 3.22Å; I155-A275 HydrophobicContact CG2-CB 3.95Å; I155-E276 HydrophobicContact CG2-CG 4.07Å; I155-Q279 HydrophobicContact CD1-CB 4.1Å; I155-Q279 HydrophobicContact CD1-CG 3.9Å; I155-Q279 HydrophobicContact CG1-CB 3.76Å; I155-Q279 HydrophobicContact CG1-CG 3.62Å; I155-Q279 PolarHBondContact O-OE1 3.03Å
156N94.5Very high97.9Very high146 Ų14636.2 Ų36.278%0.78120%0.199SC*.THydrogen-bonded Turntrans54.635.6172.5-55.9-35.6000115D158N156-D158 PolarHBondContact O-N 3.3Å
157N93.1Very high97.9Very high169 Ų16936.4 Ų36.490%0.90420%0.2SC*.THydrogen-bonded Turntrans61.115.8-176.5-59.2-31.7000115.2I155I155-N157 VanDerWaalsContact C-N 3.27Å; I155-N157 PolarHBondContact O-N 3.23Å; I155-N157 VanDerWaalsContact O-N 3.16Å
158D97.5Very high97.9Very high30 Ų3037.5 Ų37.516%0.1621%0.206CC..  trans-82160.2168.4-162.18.7000110.6A154 I155 N156 Q279 M282 R286 R302A154-D158 HydrophobicContact CB-CB 4.43Å; A154-D158 PolarHBondContact N-O 2.81Å; I155-D158 PolarHBondContact O-N 3.22Å; N156-D158 PolarHBondContact O-N 3.3Å; D158-Q279 PolarHBondContact OD2-NE2 3.11Å; D158-Q279 PolarHBondContact OD2-OE1 2.82Å; D158-M282 HydrophobicContact CB-CE 4.23Å; D158-M282 WeakPolarHBondContact OD2-CE 3.2Å; D158-R286 IonicContact OD1-NH2 3.98Å; D158-R286 PolarHBondContact OD1-NH2 2.87Å; D158-R286 IonicContact OD2-CZ 3.44Å; D158-R286 IonicContact OD2-NH1 2.7Å; D158-R286 PolarHBondContact OD2-NH1 3.17Å; D158-R286 IonicContact OD2-NH2 3.48Å; D158-R286 PolarHBondContact OD2-NH2 2.82Å; D158-R302 IonicContact OD1-CZ 3.51Å; D158-R302 IonicContact OD1-NE 3.5Å; D158-R302 IonicContact OD1-NH1 3.58Å; D158-R302 IonicContact OD1-NH2 2.7Å
159S98.3Very high97.7Very high24 Ų2437 Ų3717%0.16820%0.204CC..EExtended strand (participates in β ladder)trans-160.5150.9-178.758.20000112.4A152 R302A152-S159 WeakPolarHBondContact O-CA 3.41Å; A152-S159 WeakPolarHBondContact O-CB 3.45Å; S159-R302 PolarHBondContact O-NH1 3.27Å; S159-R302 PolarHBondContact O-NH2 3.39Å; S159-R302 VanDerWaalsContact O-NH2 3.08Å; S159-R302 PolarHBondContact OG-NH1 3.42Å
160F98.8Very high97.4Very high44 Ų4437.9 Ų37.919%0.19321%0.211CC..EExtended strand (participates in β ladder)trans-86.8127164.3177.2-88.6000108.6L150 A151 A152 L162 M278 M282 V296 A297L150-F160 HydrophobicContact CB-CE1 4.44Å; L150-F160 HydrophobicContact CD2-CD1 4.37Å; L150-F160 HydrophobicContact CD2-CE1 4.04Å; L150-F160 HydrophobicContact CG-CD1 4.37Å; L150-F160 HydrophobicContact CG-CE1 4.27Å; A151-F160 CarbonylContact C-O 3.51Å; A151-F160 VanDerWaalsContact CA-O 3.24Å; A151-F160 WeakPolarHBondContact CA-O 3.31Å; A152-F160 HydrophobicContact CB-CB 4.39Å; A152-F160 PolarHBondContact N-O 3.26Å; A152-F160 PolarHBondContact O-N 3.46Å; F160-L162 HydrophobicContact CE1-CB 3.57Å; F160-L162 HydrophobicContact CZ-CB 3.8Å; F160-M278 HydrophobicContact CB-CE 3.97Å; F160-M278 HydrophobicContact CB-SD 4.36Å; F160-M278 HydrophobicContact CD2-CE 4.42Å; F160-M278 HydrophobicContact CG-CE 4.42Å; F160-M282 HydrophobicContact CB-SD 4.04Å; F160-V296 HydrophobicContact CD2-CG1 3.63Å; F160-V296 HydrophobicContact CE2-CG1 4.23Å; F160-A297 HydrophobicContact CD2-CB 4.03Å; F160-A297 HydrophobicContact CE1-CB 4.34Å; F160-A297 HydrophobicContact CE2-CB 3.53Å; F160-A297 HydrophobicContact CZ-CB 3.7Å
161V98.8Very high97.1Very high5 Ų536.6 Ų36.63%0.0320%0.204CC..EExtended strand (participates in β ladder)trans-136.797.9176.5-175.30000110.1M114 L150 A151 A297 G298M114-V161 HydrophobicContact CG-CG1 3.86Å; M114-V161 HydrophobicContact CG-CG2 4.01Å; M114-V161 HydrophobicContact SD-CG1 3.88Å; M114-V161 HydrophobicContact SD-CG2 4.15Å; L150-V161 WeakPolarHBondContact O-CA 3.42Å; A151-V161 HydrophobicContact CB-CG2 4.26Å; V161-A297 PolarHBondContact N-O 3.38Å; V161-A297 CarbonylContact O-C 3.44Å; V161-A297 WeakPolarHBondContact O-CB 3.49Å; V161-G298 PolarHBondContact O-N 2.96Å
162L98.8Very high96.6Very high52 Ų5237 Ų3727%0.27221%0.209SC..EExtended strand (participates in β ladder)trans-90.6128.4169-176.969.2000109.5S149 L150 F160 M164 A297S149-L162 CarbonylContact C-O 3.53Å; S149-L162 WeakPolarHBondContact CA-O 3.48Å; S149-L162 WeakPolarHBondContact CB-O 3.45Å; S149-L162 PolarHBondContact OG-O 2.86Å; L150-L162 PolarHBondContact N-O 2.89Å; L150-L162 PolarHBondContact O-N 2.88Å; F160-L162 HydrophobicContact CE1-CB 3.57Å; F160-L162 HydrophobicContact CZ-CB 3.8Å; L162-M164 HydrophobicContact CD1-CB 4.46Å; L162-M164 HydrophobicContact CD1-CG 4.22Å; L162-M164 HydrophobicContact CD1-SD 3.99Å; L162-M164 HydrophobicContact CD2-CG 4.47Å; L162-M164 HydrophobicContact CD2-SD 4.2Å; L162-M164 HydrophobicContact CG-CG 4.24Å; L162-M164 HydrophobicContact CG-SD 4.35Å; L162-A297 HydrophobicContact CB-CB 4.07Å; L162-A297 HydrophobicContact CD1-CB 4.17Å
163D98.3Very high96.3Very high36 Ų3642.5 Ų42.519%0.19323%0.232CC..EExtended strand (participates in β ladder)trans-142.7105.5170.4-172.92000108.4I108 A109 G110I108-D163 WeakPolarHBondContact CB-OD2 3.32Å; A109-D163 PolarHBondContact N-OD2 2.79Å; G110-D163 WeakPolarHBondContact CA-OD2 3.41Å; G110-D163 VanDerWaalsContact N-CG 3.28Å; G110-D163 PolarHBondContact N-OD2 3.21Å
164M97.6Very high96.1Very high58 Ų5841.5 Ų41.529%0.28623%0.226SC..EExtended strand (participates in β ladder)trans-143.7147.2-171.469.7174.4-156.300113P147 I148 L162 L212 L226P147-M164 CarbonylContact C-O 3.59Å; P147-M164 WeakPolarHBondContact CA-O 3.45Å; P147-M164 VanDerWaalsContact CB-O 3.23Å; P147-M164 WeakPolarHBondContact CB-O 3.33Å; I148-M164 PolarHBondContact N-O 3.33Å; I148-M164 PolarHBondContact O-N 2.82Å; I148-M164 VanDerWaalsContact O-N 3.12Å; L162-M164 HydrophobicContact CD1-CB 4.46Å; L162-M164 HydrophobicContact CD1-CG 4.22Å; L162-M164 HydrophobicContact CD1-SD 3.99Å; L162-M164 HydrophobicContact CD2-CG 4.47Å; L162-M164 HydrophobicContact CD2-SD 4.2Å; L162-M164 HydrophobicContact CG-CG 4.24Å; L162-M164 HydrophobicContact CG-SD 4.35Å; M164-L212 HydrophobicContact CE-CD2 4.14Å; M164-L226 HydrophobicContact CE-CD1 4.33Å
165A97.4Very high95.7Very high22 Ų2241.9 Ų41.918%0.18223%0.225CC..  trans-72.2152.1164.500000110.8T167A165-T167 WeakPolarHBondContact CB-OG1 3.11Å; A165-T167 PolarHBondContact O-N 2.76Å
166T98.3Very high95.2Very high0 Ų041.9 Ų41.90%023%0.226CC..SBendtrans-83.410.7170.350.50000112.9T145 N146 I148 L212 L226 A227T145-T166 PolarHBondContact O-N 3.2Å; T145-T166 PolarHBondContact O-OG1 3.39Å; N146-T166 WeakPolarHBondContact O-CB 3.46Å; N146-T166 WeakPolarHBondContact O-CG2 3.23Å; N146-T166 PolarHBondContact O-OG1 3.43Å; I148-T166 HydrophobicContact CD1-CG2 3.67Å; I148-T166 HydrophobicContact CG1-CG2 4Å; T166-L212 WeakPolarHBondContact O-CB 3.38Å; T166-L212 PolarHBondContact O-N 3.16Å; T166-L226 HydrophobicContact CG2-CB 3.53Å; T166-A227 WeakPolarHBondContact OG1-CA 3.28Å; T166-A227 VanDerWaalsContact OG1-CB 3.31Å; T166-A227 WeakPolarHBondContact OG1-CB 3.47Å
167T98Very high95Very high5 Ų535.4 Ų35.43%0.03119%0.192CC..BIsolated β-bridgetrans-105.6161.7169.9480000110.1T145 A165 V169 L209 L210T145-T167 HydrophobicContact CG2-CG2 4.19Å; A165-T167 WeakPolarHBondContact CB-OG1 3.11Å; A165-T167 PolarHBondContact O-N 2.76Å; T167-V169 PolarHBondContact O-N 2.78Å; T167-V169 PolarHBondContact OG1-O 2.94Å; T167-L209 HydrophobicContact CG2-CB 3.9Å; T167-L209 HydrophobicContact CG2-CD1 4.29Å; T167-L210 WeakPolarHBondContact CA-O 3.29Å; T167-L210 WeakPolarHBondContact CB-O 3.11Å
168T97Very high94.9Very high41 Ų4129.3 Ų29.325%0.25216%0.159SC..SBendtrans-61.5-26.5179-64.80000112.1S187 W188 L210 P211 G214T168-S187 WeakPolarHBondContact CB-O 3.28Å; T168-S187 PolarHBondContact OG1-O 2.99Å; T168-W188 HydrophobicContact CG2-CG 4.41Å; T168-L210 PolarHBondContact N-O 2.91Å; T168-P211 PolarHBondContact OG1-O 3.42Å; T168-G214 PolarHBondContact OG1-N 3.46Å
169V95Very high94.4Very high7 Ų731 Ų314%0.04216%0.163CC..SBendtrans-154.3150177.874.40000111.1T167 K173 I174 W188 L209T167-V169 PolarHBondContact O-N 2.78Å; T167-V169 PolarHBondContact OG1-O 2.94Å; V169-K173 HydrophobicContact CG2-CB 3.55Å; V169-K173 HydrophobicContact CG2-CD 3.47Å; V169-K173 VanDerWaalsContact CG2-CD 3.47Å; V169-K173 HydrophobicContact CG2-CG 3.67Å; V169-I174 HydrophobicContact CG1-CD1 3.78Å; V169-I174 HydrophobicContact CG1-CG1 4.26Å; V169-W188 HydrophobicContact CB-CD2 3.9Å; V169-W188 HydrophobicContact CB-CE3 4.17Å; V169-W188 HydrophobicContact CB-CG 4.17Å; V169-W188 HydrophobicContact CG1-CB 3.9Å; V169-W188 HydrophobicContact CG1-CD2 3.73Å; V169-W188 HydrophobicContact CG1-CE3 3.78Å; V169-W188 HydrophobicContact CG1-CG 3.83Å; V169-W188 HydrophobicContact CG2-CD2 4.12Å; V169-W188 HydrophobicContact CG2-CE3 4.03Å; V169-W188 HydrophobicContact CG2-CH2 4.1Å; V169-W188 HydrophobicContact CG2-CZ2 4.17Å; V169-W188 HydrophobicContact CG2-CZ3 4.02Å; V169-L209 HydrophobicContact CG1-CD2 3.96Å; V169-L209 WeakPolarHBondContact O-CD1 3.29Å
170A92.9Very high93.8Very high18 Ų1833.8 Ų33.815%0.14917%0.173CC..  trans-69.2145.4169.100000111.6G172 K173A170-G172 PolarHBondContact O-N 3.04Å; A170-G172 VanDerWaalsContact O-N 3.11Å; A170-K173 PolarHBondContact O-N 2.89Å
171L93.3Very high93.3Very high19 Ų1938.1 Ų38.110%0.09920%0.198CC..Hα-helixtrans-52.8-36.8179.2-176.568.3000112.7L132 K173 I174 E175 L204 L209 W249L132-L171 HydrophobicContact CD1-CB 4.31Å; L132-L171 HydrophobicContact CD1-CD2 3.89Å; L132-L171 HydrophobicContact CD2-CD2 3.73Å; L132-L171 HydrophobicContact CG-CD2 4.46Å; L171-K173 PolarHBondContact O-N 2.8Å; L171-K173 VanDerWaalsContact O-N 3.14Å; L171-I174 WeakPolarHBondContact O-CA 3.27Å; L171-I174 VanDerWaalsContact O-CB 3.28Å; L171-I174 WeakPolarHBondContact O-CB 3.38Å; L171-I174 PolarHBondContact O-N 3.25Å; L171-E175 PolarHBondContact O-N 2.96Å; L171-L204 HydrophobicContact CD1-CD2 4.08Å; L171-L209 HydrophobicContact CB-CD1 4.19Å; L171-W249 VanDerWaalsContact CD2-CD1 3.46Å; L171-W249 HydrophobicContact CD2-CG 4.06Å
172G88.8Confident93Very high9 Ų942.9 Ų42.99%0.09322%0.22CC..Hα-helixtrans-60-24.9179.600000114.5A170 E175 L176A170-G172 PolarHBondContact O-N 3.04Å; A170-G172 VanDerWaalsContact O-N 3.11Å; G172-E175 WeakPolarHBondContact CA-OE2 3.37Å; G172-L176 WeakPolarHBondContact O-CB 3.33Å; G172-L176 PolarHBondContact O-N 3.25Å
173K91.1Very high93Very high117 Ų11747.6 Ų47.651%0.50924%0.238SC..Hα-helixtrans-75.1-28.3172.8-55.7-156.2-167.41720112.2V169 A170 L171 A177 W188V169-K173 HydrophobicContact CG2-CB 3.55Å; V169-K173 HydrophobicContact CG2-CD 3.47Å; V169-K173 VanDerWaalsContact CG2-CD 3.47Å; V169-K173 HydrophobicContact CG2-CG 3.67Å; A170-K173 PolarHBondContact O-N 2.89Å; L171-K173 PolarHBondContact O-N 2.8Å; L171-K173 VanDerWaalsContact O-N 3.14Å; K173-A177 WeakPolarHBondContact O-CB 3.38Å; K173-A177 PolarHBondContact O-N 2.84Å; K173-W188 HydrophobicContact CB-CH2 4.49Å; K173-W188 HydrophobicContact CB-CZ3 4.16Å; K173-W188 HydrophobicContact CD-CH2 4.49Å
174I93.6Very high92.9Very high0 Ų045.9 Ų45.90%023%0.229CC..Hα-helixtrans-69.9-47171.7-50-57.3000109.8V169 L171 L176 A177 D178 I184 W188 P200 V203 L204 L209V169-I174 HydrophobicContact CG1-CD1 3.78Å; V169-I174 HydrophobicContact CG1-CG1 4.26Å; L171-I174 WeakPolarHBondContact O-CA 3.27Å; L171-I174 VanDerWaalsContact O-CB 3.28Å; L171-I174 WeakPolarHBondContact O-CB 3.38Å; L171-I174 PolarHBondContact O-N 3.25Å; I174-L176 VanDerWaalsContact C-N 3.26Å; I174-L176 PolarHBondContact O-N 2.95Å; I174-A177 PolarHBondContact O-N 2.92Å; I174-D178 PolarHBondContact O-N 2.86Å; I174-I184 HydrophobicContact CD1-CD1 3.75Å; I174-I184 HydrophobicContact CD1-CG2 3.95Å; I174-W188 HydrophobicContact CD1-CB 4.43Å; I174-W188 HydrophobicContact CD1-CE3 3.7Å; I174-W188 HydrophobicContact CD1-CZ3 4.43Å; I174-P200 HydrophobicContact CG2-CB 3.99Å; I174-V203 HydrophobicContact CG2-CB 3.94Å; I174-V203 HydrophobicContact CG2-CG1 4.06Å; I174-V203 HydrophobicContact CG2-CG2 4.39Å; I174-L204 HydrophobicContact CG2-CD2 4.19Å; I174-L204 HydrophobicContact CG2-CG 4.21Å; I174-L209 HydrophobicContact CD1-CD2 4.29Å; I174-L209 HydrophobicContact CG1-CD2 3.73Å
175E91.3Very high92.9Very high22 Ų2245.9 Ų45.910%0.10323%0.233CC..Hα-helixtrans-56.2-42.4174.4-65.9177.4134.700110.9R37 L171 G172 D178 R179 L204 K250R37-E175 IonicContact CZ-OE2 2.77Å; R37-E175 VanDerWaalsContact CZ-OE2 3.27Å; R37-E175 IonicContact NH1-OE1 3.6Å; R37-E175 IonicContact NH1-OE2 3.6Å; R37-E175 PolarHBondContact NH1-OE2 2.84Å; R37-E175 IonicContact NH2-OE2 3.6Å; R37-E175 PolarHBondContact NH2-OE2 3.32Å; L171-E175 PolarHBondContact O-N 2.96Å; G172-E175 WeakPolarHBondContact CA-OE2 3.37Å; E175-D178 PolarHBondContact O-N 3.31Å; E175-R179 VanDerWaalsContact O-CG 3.29Å; E175-R179 WeakPolarHBondContact O-CG 3.33Å; E175-R179 PolarHBondContact O-N 2.89Å; E175-R179 VanDerWaalsContact O-N 3.11Å; E175-L204 HydrophobicContact CG-CD2 4.07Å; E175-K250 IonicContact OE1-NZ 3.41Å; E175-K250 PolarHBondContact OE1-NZ 2.77Å
176L86.6Confident92.7Very high56 Ų5648.1 Ų48.129%0.29325%0.247SC..Hα-helixtrans-66.4-42.8177.5-177.362.6000112.9G172 I174 D178 R179 K180G172-L176 WeakPolarHBondContact O-CB 3.33Å; G172-L176 PolarHBondContact O-N 3.25Å; I174-L176 VanDerWaalsContact C-N 3.26Å; I174-L176 PolarHBondContact O-N 2.95Å; L176-D178 VanDerWaalsContact C-N 3.31Å; L176-R179 PolarHBondContact O-N 3.29Å; L176-K180 HydrophobicContact CG-CD 4.47Å; L176-K180 WeakPolarHBondContact O-CG 3.25Å; L176-K180 PolarHBondContact O-N 3.06Å; L176-K180 VanDerWaalsContact O-N 3.13Å
177A90.3Very high92.6Very high9 Ų950 Ų507%0.07426%0.261CS..Hα-helixtrans-63.6-39.3177.500000111.5K173 I174 K180 N181 E182 I184 P200K173-A177 WeakPolarHBondContact O-CB 3.38Å; K173-A177 PolarHBondContact O-N 2.84Å; I174-A177 PolarHBondContact O-N 2.92Å; A177-K180 CarbonylContact O-C 3.59Å; A177-K180 PolarHBondContact O-N 3.28Å; A177-N181 PolarHBondContact O-N 3.33Å; A177-N181 VanDerWaalsContact O-N 3.09Å; A177-E182 PolarHBondContact O-N 2.99Å; A177-I184 HydrophobicContact CB-CG2 3.58Å; A177-P200 HydrophobicContact CB-CG 3.95Å
178D91.6Very high92.5Very high41 Ų4152.6 Ų52.622%0.21927%0.27CS..Hα-helixtrans-60.9-47.1175.2-167.351.7000111.9I174 E175 L176 K180 N181 P200 K201 L204I174-D178 PolarHBondContact O-N 2.86Å; E175-D178 PolarHBondContact O-N 3.31Å; L176-D178 VanDerWaalsContact C-N 3.31Å; D178-K180 PolarHBondContact O-N 3.31Å; D178-N181 PolarHBondContact O-N 2.81Å; D178-P200 HydrophobicContact CB-CB 3.64Å; D178-K201 WeakPolarHBondContact OD1-CE 3.16Å; D178-K201 WeakPolarHBondContact OD1-CG 3.36Å; D178-L204 HydrophobicContact CB-CD1 3.8Å
179R85.8Confident92.6Very high65 Ų6550.7 Ų50.725%0.24526%0.258CS..Hα-helixtrans-60.1-28.8175.9-69.2171.2-168.3-176.32.2113.2E175 L176E175-R179 VanDerWaalsContact O-CG 3.29Å; E175-R179 WeakPolarHBondContact O-CG 3.33Å; E175-R179 PolarHBondContact O-N 2.89Å; E175-R179 VanDerWaalsContact O-N 3.11Å; L176-R179 PolarHBondContact O-N 3.29Å
180K86.4Confident92.7Very high84 Ų8450.3 Ų50.337%0.36526%0.256SS..THydrogen-bonded Turntrans-87.9-3.2175.6-67.7-179.4177.4-1720113.2L176 A177 D178 E182L176-K180 HydrophobicContact CG-CD 4.47Å; L176-K180 WeakPolarHBondContact O-CG 3.25Å; L176-K180 PolarHBondContact O-N 3.06Å; L176-K180 VanDerWaalsContact O-N 3.13Å; A177-K180 CarbonylContact O-C 3.59Å; A177-K180 PolarHBondContact O-N 3.28Å; D178-K180 PolarHBondContact O-N 3.31Å; K180-E182 HydrophobicContact CB-CB 4.28Å; K180-E182 HydrophobicContact CB-CG 3.83Å; K180-E182 PolarHBondContact O-N 3.1Å
181N89.2Confident92.9Very high134 Ų13450.3 Ų50.372%0.71725%0.254SS*.THydrogen-bonded Turntrans52.435-169.9-63.4-69000112.9A177 D178A177-N181 PolarHBondContact O-N 3.33Å; A177-N181 VanDerWaalsContact O-N 3.09Å; D178-N181 PolarHBondContact O-N 2.81Å
182E92.9Very high93Very high105 Ų10553.1 Ų53.149%0.49128%0.275SS..PPolyproline II helixtrans-99.6146.7-178.8-74.4173.3-177.600111.5A177 K180 P200A177-E182 PolarHBondContact O-N 2.99Å; K180-E182 HydrophobicContact CB-CB 4.28Å; K180-E182 HydrophobicContact CB-CG 3.83Å; K180-E182 PolarHBondContact O-N 3.1Å; E182-P200 VanDerWaalsContact O-CG 3.23Å; E182-P200 WeakPolarHBondContact O-CG 2.9Å
183K97.4Very high93.3Very high151 Ų15153.9 Ų53.966%0.65728%0.283SS*.PPolyproline II helixtrans-74.1140.5170.5-68-176-179.3179.30110.1R198K183-R198 WeakPolarHBondContact CA-O 3.38Å
184I97.2Very high93.4Very high1 Ų148.9 Ų48.91%0.00527%0.265CS..PPolyproline II helixtrans-82.1155.917156.4178.1000111I174 A177 W188 A189 R198 P200 V203I174-I184 HydrophobicContact CD1-CD1 3.75Å; I174-I184 HydrophobicContact CD1-CG2 3.95Å; A177-I184 HydrophobicContact CB-CG2 3.58Å; I184-W188 HydrophobicContact CB-CD2 4.45Å; I184-W188 HydrophobicContact CB-CE3 3.75Å; I184-W188 HydrophobicContact CB-CZ3 4.3Å; I184-W188 HydrophobicContact CD1-CB 4.29Å; I184-W188 HydrophobicContact CG2-CE3 3.73Å; I184-W188 HydrophobicContact CG2-CZ3 3.93Å; I184-A189 HydrophobicContact CD1-CB 3.88Å; I184-R198 PolarHBondContact N-O 3.21Å; I184-R198 WeakPolarHBondContact O-CB 3.33Å; I184-R198 PolarHBondContact O-NE 3.39Å; I184-P200 HydrophobicContact CG2-CG 3.98Å; I184-V203 HydrophobicContact CD1-CG2 3.99Å
185P96.4Very high93.5Very high57 Ų5756.5 Ų56.537%0.3729%0.293SS..PPolyproline II helixtrans-56153.5168.2-2635.8000112.4W188P185-W188 HydrophobicContact CB-CD2 4.37Å; P185-W188 HydrophobicContact CB-CG 4.37Å; P185-W188 HydrophobicContact CG-CD2 4.11Å; P185-W188 HydrophobicContact CG-CH2 4.26Å; P185-W188 HydrophobicContact CG-CZ2 3.77Å
186S94.3Very high93.7Very high69 Ų6959.8 Ų59.848%0.48331%0.309SS..THydrogen-bonded Turntrans-54.2158.6158.344.60000110W188 E196S186-W188 VanDerWaalsContact C-N 3.27Å; S186-W188 PolarHBondContact O-N 2.9Å; S186-E196 VanDerWaalsContact C-OE1 3.31Å; S186-E196 WeakPolarHBondContact CA-OE1 3.23Å; S186-E196 WeakPolarHBondContact CB-OE1 3.28Å
187S94.8Very high94.2Very high41 Ų4157.7 Ų57.729%0.28730%0.298SS..THydrogen-bonded Turntrans73.7-8.1-178.276.40000117.1T168 E196 L210T168-S187 WeakPolarHBondContact CB-O 3.28Å; T168-S187 PolarHBondContact OG1-O 2.99Å; S187-E196 PolarHBondContact N-OE1 3.46Å; S187-L210 WeakPolarHBondContact O-CB 3.39Å
188W97.2Very high94.6Very high59 Ų5963.3 Ų63.322%0.22332%0.317CS..SBendtrans-77.3-42.8-178.1-79.121.5000113.2T168 V169 K173 I174 I184 P185 S186 L210T168-W188 HydrophobicContact CG2-CG 4.41Å; V169-W188 HydrophobicContact CB-CD2 3.9Å; V169-W188 HydrophobicContact CB-CE3 4.17Å; V169-W188 HydrophobicContact CB-CG 4.17Å; V169-W188 HydrophobicContact CG1-CB 3.9Å; V169-W188 HydrophobicContact CG1-CD2 3.73Å; V169-W188 HydrophobicContact CG1-CE3 3.78Å; V169-W188 HydrophobicContact CG1-CG 3.83Å; V169-W188 HydrophobicContact CG2-CD2 4.12Å; V169-W188 HydrophobicContact CG2-CE3 4.03Å; V169-W188 HydrophobicContact CG2-CH2 4.1Å; V169-W188 HydrophobicContact CG2-CZ2 4.17Å; V169-W188 HydrophobicContact CG2-CZ3 4.02Å; K173-W188 HydrophobicContact CB-CH2 4.49Å; K173-W188 HydrophobicContact CB-CZ3 4.16Å; K173-W188 HydrophobicContact CD-CH2 4.49Å; I174-W188 HydrophobicContact CD1-CB 4.43Å; I174-W188 HydrophobicContact CD1-CE3 3.7Å; I174-W188 HydrophobicContact CD1-CZ3 4.43Å; I184-W188 HydrophobicContact CB-CD2 4.45Å; I184-W188 HydrophobicContact CB-CE3 3.75Å; I184-W188 HydrophobicContact CB-CZ3 4.3Å; I184-W188 HydrophobicContact CD1-CB 4.29Å; I184-W188 HydrophobicContact CG2-CE3 3.73Å; I184-W188 HydrophobicContact CG2-CZ3 3.93Å; P185-W188 HydrophobicContact CB-CD2 4.37Å; P185-W188 HydrophobicContact CB-CG 4.37Å; P185-W188 HydrophobicContact CG-CD2 4.11Å; P185-W188 HydrophobicContact CG-CH2 4.26Å; P185-W188 HydrophobicContact CG-CZ2 3.77Å; S186-W188 VanDerWaalsContact C-N 3.27Å; S186-W188 PolarHBondContact O-N 2.9Å; W188-L210 PolarHBondContact O-N 3.26Å
189A97.6Very high94.9Very high0 Ų065.7 Ų65.70%033%0.327CS..EExtended strand (participates in β ladder)trans-156.7167.8-165.500000113.2I184 E196 T197 V203 G208I184-A189 HydrophobicContact CD1-CB 3.88Å; A189-E196 WeakPolarHBondContact O-CA 2.79Å; A189-T197 PolarHBondContact O-N 3Å; A189-V203 HydrophobicContact CB-CB 4.22Å; A189-V203 HydrophobicContact CB-CG1 3.71Å; A189-V203 HydrophobicContact CB-CG2 3.4Å; A189-G208 CarbonylContact C-O 3.54Å; A189-G208 VanDerWaalsContact CA-O 3.31Å; A189-G208 WeakPolarHBondContact CA-O 3.41Å; A189-G208 WeakPolarHBondContact CB-O 3.5Å
190A97.5Very high95.4Very high0 Ų063.1 Ų63.10%032%0.319CS..EExtended strand (participates in β ladder)trans-131.1155177.100000111.5F134 R195 G207 G208 L210F134-A190 HydrophobicContact CD2-CB 4.03Å; F134-A190 HydrophobicContact CE2-CB 3.7Å; F134-A190 HydrophobicContact CZ-CB 4.42Å; A190-R195 CarbonylContact C-O 3.56Å; A190-R195 WeakPolarHBondContact CA-O 3.39Å; A190-R195 VanDerWaalsContact CB-O 3.29Å; A190-R195 WeakPolarHBondContact CB-O 3.35Å; A190-G207 WeakPolarHBondContact O-CA 3.1Å; A190-G208 PolarHBondContact N-O 2.69Å; A190-G208 PolarHBondContact O-N 3.5Å; A190-L210 HydrophobicContact CB-CD2 4.24Å
191D97Very high95.9Very high18 Ų1864.2 Ų64.210%0.09632%0.324CS..  trans-70.9-179.9172.673.34.1000111.8F134 G193 G194 R195 T197 K202F134-D191 WeakPolarHBondContact CZ-O 3.5Å; D191-G193 PolarHBondContact O-N 2.8Å; D191-G193 VanDerWaalsContact O-N 3.13Å; D191-G193 VanDerWaalsContact OD1-C 3.32Å; D191-G193 VanDerWaalsContact OD1-CA 3.28Å; D191-G193 WeakPolarHBondContact OD1-CA 3.47Å; D191-G193 PolarHBondContact OD1-N 2.84Å; D191-G194 PolarHBondContact O-N 3.22Å; D191-G194 PolarHBondContact OD1-N 3.19Å; D191-R195 PolarHBondContact N-O 2.63Å; D191-R195 PolarHBondContact OD1-N 2.9Å; D191-R195 IonicContact OD1-NE 2.81Å; D191-R195 IonicContact OD2-CZ 3.24Å; D191-R195 IonicContact OD2-NE 3.29Å; D191-R195 PolarHBondContact OD2-NE 3.26Å; D191-R195 IonicContact OD2-NH2 2.63Å; D191-R195 PolarHBondContact OD2-NH2 2.97Å; D191-T197 HydrophobicContact CB-CG2 4.42Å; D191-K202 HydrophobicContact CB-CB 4.31Å
192S95.7Very high96.2Very high77 Ų7762.1 Ų62.154%0.53831%0.308SS..THydrogen-bonded Turntrans-63.1-15.4178.258.40000114.8G194 N206S192-G194 VanDerWaalsContact C-N 3.33Å; S192-N206 WeakPolarHBondContact CA-O 3.38Å; S192-N206 VanDerWaalsContact CB-O 3.25Å; S192-N206 WeakPolarHBondContact CB-O 3.21Å
193G94.8Very high96.4Very high26 Ų2657.3 Ų57.327%0.26829%0.286SS..THydrogen-bonded Turntrans-91.411170.900000113.2R139 D191 R195R139-G193 WeakPolarHBondContact CD-O 3.45Å; R139-G193 PolarHBondContact NE-O 3.22Å; D191-G193 PolarHBondContact O-N 2.8Å; D191-G193 VanDerWaalsContact O-N 3.13Å; D191-G193 VanDerWaalsContact OD1-C 3.32Å; D191-G193 VanDerWaalsContact OD1-CA 3.28Å; D191-G193 WeakPolarHBondContact OD1-CA 3.47Å; D191-G193 PolarHBondContact OD1-N 2.84Å; G193-R195 PolarHBondContact O-N 3.24Å
194G94.2Very high96.3Very high12 Ų1253.4 Ų53.412%0.12427%0.272CS..SBendtrans61.824.5-177.500000113.7R139 D191 S192R139-G194 PolarHBondContact NH1-O 2.77Å; D191-G194 PolarHBondContact O-N 3.22Å; D191-G194 PolarHBondContact OD1-N 3.19Å; S192-G194 VanDerWaalsContact C-N 3.33Å
195R95.1Very high96.1Very high159 Ų15959.6 Ų59.660%0.630%0.301SS*.  trans-100.6135.2174.7-61.3171.6-61.8-1691.7109.3A190 D191 G193 T197A190-R195 CarbonylContact C-O 3.56Å; A190-R195 WeakPolarHBondContact CA-O 3.39Å; A190-R195 VanDerWaalsContact CB-O 3.29Å; A190-R195 WeakPolarHBondContact CB-O 3.35Å; D191-R195 PolarHBondContact N-O 2.63Å; D191-R195 PolarHBondContact OD1-N 2.9Å; D191-R195 IonicContact OD1-NE 2.81Å; D191-R195 IonicContact OD2-CZ 3.24Å; D191-R195 IonicContact OD2-NE 3.29Å; D191-R195 PolarHBondContact OD2-NE 3.26Å; D191-R195 IonicContact OD2-NH2 2.63Å; D191-R195 PolarHBondContact OD2-NH2 2.97Å; G193-R195 PolarHBondContact O-N 3.24Å; R195-T197 PolarHBondContact O-N 3.26Å
196E95.9Very high95.9Very high91 Ų9162.9 Ų62.943%0.42532%0.315SS..EExtended strand (participates in β ladder)trans-51.3134.5-179.9-170.7-179.2167.600111.8S186 S187 A189 L210S186-E196 VanDerWaalsContact C-OE1 3.31Å; S186-E196 WeakPolarHBondContact CA-OE1 3.23Å; S186-E196 WeakPolarHBondContact CB-OE1 3.28Å; S187-E196 PolarHBondContact N-OE1 3.46Å; A189-E196 WeakPolarHBondContact O-CA 2.79Å; E196-L210 HydrophobicContact CG-CD1 4.22Å
197T97.1Very high96Very high12 Ų1260 Ų607%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-137151.7-177.8-173.70000111.5A189 D191 R195 E199 K202 V203A189-T197 PolarHBondContact O-N 3Å; D191-T197 HydrophobicContact CB-CG2 4.42Å; R195-T197 PolarHBondContact O-N 3.26Å; T197-E199 PolarHBondContact OG1-N 2.67Å; T197-K202 HydrophobicContact CG2-CB 4.39Å; T197-V203 HydrophobicContact CG2-CG2 3.49Å; T197-V203 VanDerWaalsContact CG2-CG2 3.49Å
198R98Very high96.1Very high127 Ų12758.3 Ų58.348%0.47929%0.286SS..SBendtrans-107.84.2174-63.7-172.562-153.4-1.2113.1K183 I184 P200K183-R198 WeakPolarHBondContact CA-O 3.38Å; I184-R198 PolarHBondContact N-O 3.21Å; I184-R198 WeakPolarHBondContact O-CB 3.33Å; I184-R198 PolarHBondContact O-NE 3.39Å; R198-P200 WeakPolarHBondContact O-CD 3.35Å
199E97.7Very high96.1Very high91 Ų9155.5 Ų55.543%0.42528%0.275SS..  trans-102.6108.8-176.7-67.8174.5-12000110T197 K201 K202 V203T197-E199 PolarHBondContact OG1-N 2.67Å; E199-K201 VanDerWaalsContact C-N 3.29Å; E199-K201 PolarHBondContact O-N 2.97Å; E199-K202 HydrophobicContact CB-CB 4.23Å; E199-K202 HydrophobicContact CB-CD 4.06Å; E199-K202 HydrophobicContact CB-CG 4.04Å; E199-K202 VanDerWaalsContact CD-CE 3.49Å; E199-K202 VanDerWaalsContact CD-NZ 3.31Å; E199-K202 HydrophobicContact CG-CD 4.47Å; E199-K202 PolarHBondContact O-N 3.28Å; E199-K202 VanDerWaalsContact O-N 3.1Å; E199-K202 WeakPolarHBondContact OE1-CE 3.45Å; E199-K202 IonicContact OE1-NZ 3.68Å; E199-K202 PolarHBondContact OE1-NZ 2.97Å; E199-K202 WeakPolarHBondContact OE2-CE 3.33Å; E199-K202 IonicContact OE2-NZ 3.19Å; E199-K202 PolarHBondContact OE2-NZ 3.33Å; E199-V203 PolarHBondContact O-N 3.09Å
200P96.8Very high96.2Very high11 Ų1156.3 Ų56.37%0.07128%0.279CS..Hα-helixtrans-53.5-42.3-179.1-27.834.9000113.7I174 A177 D178 E182 I184 R198 K202 V203 L204I174-P200 HydrophobicContact CG2-CB 3.99Å; A177-P200 HydrophobicContact CB-CG 3.95Å; D178-P200 HydrophobicContact CB-CB 3.64Å; E182-P200 VanDerWaalsContact O-CG 3.23Å; E182-P200 WeakPolarHBondContact O-CG 2.9Å; I184-P200 HydrophobicContact CG2-CG 3.98Å; R198-P200 WeakPolarHBondContact O-CD 3.35Å; P200-K202 VanDerWaalsContact C-N 3.31Å; P200-K202 PolarHBondContact O-N 3.02Å; P200-V203 WeakPolarHBondContact O-CA 3.46Å; P200-V203 VanDerWaalsContact O-CB 3.29Å; P200-V203 WeakPolarHBondContact O-CB 3.45Å; P200-V203 PolarHBondContact O-N 3.39Å; P200-L204 WeakPolarHBondContact O-CG 3.45Å; P200-L204 PolarHBondContact O-N 3.45Å
201K96.5Very high96.2Very high108 Ų10856.5 Ų56.547%0.4728%0.281SS..Hα-helixtrans-55.5-42.4177.7-64.7-170.5178.41780113.1D178 E199 V203 L204 Q205D178-K201 WeakPolarHBondContact OD1-CE 3.16Å; D178-K201 WeakPolarHBondContact OD1-CG 3.36Å; E199-K201 VanDerWaalsContact C-N 3.29Å; E199-K201 PolarHBondContact O-N 2.97Å; K201-V203 PolarHBondContact O-N 2.81Å; K201-L204 PolarHBondContact O-N 2.91Å; K201-Q205 VanDerWaalsContact O-CB 3.27Å; K201-Q205 WeakPolarHBondContact O-CB 3.45Å; K201-Q205 WeakPolarHBondContact O-CG 3.39Å; K201-Q205 PolarHBondContact O-N 3.3Å
202K97.1Very high96.2Very high89 Ų8958.8 Ų58.839%0.38729%0.293SS..Hα-helixtrans-66-26.6177.7-69.7-175.5176.11650112.6D191 T197 E199 P200 G207D191-K202 HydrophobicContact CB-CB 4.31Å; T197-K202 HydrophobicContact CG2-CB 4.39Å; E199-K202 HydrophobicContact CB-CB 4.23Å; E199-K202 HydrophobicContact CB-CD 4.06Å; E199-K202 HydrophobicContact CB-CG 4.04Å; E199-K202 VanDerWaalsContact CD-CE 3.49Å; E199-K202 VanDerWaalsContact CD-NZ 3.31Å; E199-K202 HydrophobicContact CG-CD 4.47Å; E199-K202 PolarHBondContact O-N 3.28Å; E199-K202 VanDerWaalsContact O-N 3.1Å; E199-K202 WeakPolarHBondContact OE1-CE 3.45Å; E199-K202 IonicContact OE1-NZ 3.68Å; E199-K202 PolarHBondContact OE1-NZ 2.97Å; E199-K202 WeakPolarHBondContact OE2-CE 3.33Å; E199-K202 IonicContact OE2-NZ 3.19Å; E199-K202 PolarHBondContact OE2-NZ 3.33Å; P200-K202 VanDerWaalsContact C-N 3.31Å; P200-K202 PolarHBondContact O-N 3.02Å; K202-G207 PolarHBondContact O-N 2.99Å
203V97.1Very high96.3Very high5 Ų556.4 Ų56.43%0.0328%0.28CS..Hα-helixtrans-75.4-46.6174.3-173.40000110.1I174 I184 A189 T197 E199 P200 K201 G207I174-V203 HydrophobicContact CG2-CB 3.94Å; I174-V203 HydrophobicContact CG2-CG1 4.06Å; I174-V203 HydrophobicContact CG2-CG2 4.39Å; I184-V203 HydrophobicContact CD1-CG2 3.99Å; A189-V203 HydrophobicContact CB-CB 4.22Å; A189-V203 HydrophobicContact CB-CG1 3.71Å; A189-V203 HydrophobicContact CB-CG2 3.4Å; T197-V203 HydrophobicContact CG2-CG2 3.49Å; T197-V203 VanDerWaalsContact CG2-CG2 3.49Å; E199-V203 PolarHBondContact O-N 3.09Å; P200-V203 WeakPolarHBondContact O-CA 3.46Å; P200-V203 VanDerWaalsContact O-CB 3.29Å; P200-V203 WeakPolarHBondContact O-CB 3.45Å; P200-V203 PolarHBondContact O-N 3.39Å; K201-V203 PolarHBondContact O-N 2.81Å; V203-G207 CarbonylContact O-C 3.58Å; V203-G207 VanDerWaalsContact O-C 3.24Å; V203-G207 WeakPolarHBondContact O-CA 3.38Å; V203-G207 PolarHBondContact O-N 3.25Å
204L94.6Very high96.3Very high68 Ų6855.3 Ų55.336%0.35627%0.268SS..Hα-helixtrans-71.3-30.1-177.9-61.3174000112.6L171 I174 E175 D178 P200 K201 N206L171-L204 HydrophobicContact CD1-CD2 4.08Å; I174-L204 HydrophobicContact CG2-CD2 4.19Å; I174-L204 HydrophobicContact CG2-CG 4.21Å; E175-L204 HydrophobicContact CG-CD2 4.07Å; D178-L204 HydrophobicContact CB-CD1 3.8Å; P200-L204 WeakPolarHBondContact O-CG 3.45Å; P200-L204 PolarHBondContact O-N 3.45Å; K201-L204 PolarHBondContact O-N 2.91Å; L204-N206 PolarHBondContact O-N 3.03Å
205Q93.2Very high96.4Very high132 Ų13256.8 Ų56.862%0.61728%0.275SS*.THydrogen-bonded Turntrans-91.165.7177.2-65.4177.4-21.900111.7K201K201-Q205 VanDerWaalsContact O-CB 3.27Å; K201-Q205 WeakPolarHBondContact O-CB 3.45Å; K201-Q205 WeakPolarHBondContact O-CG 3.39Å; K201-Q205 PolarHBondContact O-N 3.3Å
206N91.6Very high96.4Very high125 Ų12553 Ų5367%0.66827%0.265SS*.THydrogen-bonded Turntrans76.114.3178.1-46.2-70.9000116.5S192 L204S192-N206 WeakPolarHBondContact CA-O 3.38Å; S192-N206 VanDerWaalsContact CB-O 3.25Å; S192-N206 WeakPolarHBondContact CB-O 3.21Å; L204-N206 PolarHBondContact O-N 3.03Å
207G96.6Very high96.4Very high10 Ų1056.4 Ų56.410%0.10328%0.284CS..  trans-85.7-152.7166.100000111.8A190 K202 V203A190-G207 WeakPolarHBondContact O-CA 3.1Å; K202-G207 PolarHBondContact O-N 2.99Å; V203-G207 CarbonylContact O-C 3.58Å; V203-G207 VanDerWaalsContact O-C 3.24Å; V203-G207 WeakPolarHBondContact O-CA 3.38Å; V203-G207 PolarHBondContact O-N 3.25Å
208G97Very high96.4Very high4 Ų459.7 Ų59.74%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-179.1174.2-178.600000113.8L132 F134 A189 A190L132-G208 CarbonylContact O-C 3.57Å; L132-G208 WeakPolarHBondContact O-CA 3.28Å; F134-G208 VanDerWaalsContact CE2-CA 3.43Å; A189-G208 CarbonylContact C-O 3.54Å; A189-G208 VanDerWaalsContact CA-O 3.31Å; A189-G208 WeakPolarHBondContact CA-O 3.41Å; A189-G208 WeakPolarHBondContact CB-O 3.5Å; A190-G208 PolarHBondContact N-O 2.69Å; A190-G208 PolarHBondContact O-N 3.5Å
209L98.1Very high96.3Very high0 Ų054.7 Ų54.70%029%0.29CS..EExtended strand (participates in β ladder)trans-83.3147.2-176.8-58.7170.6000111.2L132 S133 F134 T145 T167 V169 L171 I174L132-L209 HydrophobicContact CB-CD1 4.39Å; L132-L209 PolarHBondContact O-N 2.92Å; S133-L209 VanDerWaalsContact CA-O 3.28Å; S133-L209 WeakPolarHBondContact CA-O 3.15Å; F134-L209 PolarHBondContact N-O 3.43Å; F134-L209 VanDerWaalsContact N-O 3.1Å; T145-L209 HydrophobicContact CG2-CD1 3.44Å; T145-L209 VanDerWaalsContact CG2-CD1 3.44Å; T167-L209 HydrophobicContact CG2-CB 3.9Å; T167-L209 HydrophobicContact CG2-CD1 4.29Å; V169-L209 HydrophobicContact CG1-CD2 3.96Å; V169-L209 WeakPolarHBondContact O-CD1 3.29Å; L171-L209 HydrophobicContact CB-CD1 4.19Å; I174-L209 HydrophobicContact CD1-CD2 4.29Å; I174-L209 HydrophobicContact CG1-CD2 3.73Å
210L98Very high96.3Very high17 Ų1750.4 Ų50.49%0.08927%0.27CS..PPolyproline II helixtrans-85.2145.9167.9-69.3173.2000110T167 T168 S187 W188 A190 E196 T215T167-L210 WeakPolarHBondContact CA-O 3.29Å; T167-L210 WeakPolarHBondContact CB-O 3.11Å; T168-L210 PolarHBondContact N-O 2.91Å; S187-L210 WeakPolarHBondContact O-CB 3.39Å; W188-L210 PolarHBondContact O-N 3.26Å; A190-L210 HydrophobicContact CB-CD2 4.24Å; E196-L210 HydrophobicContact CG-CD1 4.22Å; L210-T215 HydrophobicContact CD1-CG2 4.13Å
211P98Very high96.3Very high5 Ų555.6 Ų55.63%0.03229%0.289CS..BIsolated β-bridgetrans-56.2163.3174.2-25.535.2000113.1F134 T168 G213 G214 G220F134-P211 WeakPolarHBondContact O-CD 3.2Å; F134-P211 VanDerWaalsContact O-CG 3.29Å; F134-P211 WeakPolarHBondContact O-CG 3.48Å; T168-P211 PolarHBondContact OG1-O 3.42Å; P211-G213 PolarHBondContact O-N 2.94Å; P211-G214 WeakPolarHBondContact O-CA 3.21Å; P211-G214 PolarHBondContact O-N 3.05Å; P211-G220 WeakPolarHBondContact CB-O 3.32Å
212L97.8Very high96.4Very high66 Ų6656.8 Ų56.835%0.34629%0.294SS..THydrogen-bonded Turntrans-56.8125.8170.2174.266000109.8M164 T166 G220 G223 L226M164-L212 HydrophobicContact CE-CD2 4.14Å; T166-L212 WeakPolarHBondContact O-CB 3.38Å; T166-L212 PolarHBondContact O-N 3.16Å; L212-G220 WeakPolarHBondContact O-CA 3.35Å; L212-G223 VanDerWaalsContact O-CA 3.3Å; L212-G223 WeakPolarHBondContact O-CA 3.13Å; L212-G223 PolarHBondContact O-N 3.1Å; L212-G223 VanDerWaalsContact O-N 3.15Å; L212-L226 HydrophobicContact CD2-CD1 4.29Å
213G97Very high96.5Very high27 Ų2752.5 Ų52.528%0.27828%0.275SS..THydrogen-bonded Turntrans961.9-16800000113.3P211 T215 T218 G220P211-G213 PolarHBondContact O-N 2.94Å; G213-T215 PolarHBondContact O-N 3.48Å; G213-T218 CarbonylContact C-O 3.54Å; G213-T218 CarbonylContact O-C 3.53Å; G213-T218 WeakPolarHBondContact O-CB 3.45Å; G213-T218 PolarHBondContact O-OG1 3.23Å; G213-G220 PolarHBondContact O-N 3.47Å
214G95.9Very high96.5Very high2 Ų256.1 Ų56.12%0.02129%0.289CS..  trans68-120.9172.600000113.6T168 P211 G220T168-G214 PolarHBondContact OG1-N 3.46Å; P211-G214 WeakPolarHBondContact O-CA 3.21Å; P211-G214 PolarHBondContact O-N 3.05Å; G214-G220 WeakPolarHBondContact O-CA 3.45Å
215T94.7Very high96.7Very high43 Ų4354.8 Ų54.826%0.26429%0.291SS..SBendtrans-80.7174.4179.768.10000111.5L210 G213 I217 T218 A219 G220L210-T215 HydrophobicContact CD1-CG2 4.13Å; G213-T215 PolarHBondContact O-N 3.48Å; T215-I217 VanDerWaalsContact C-N 3.33Å; T215-I217 PolarHBondContact O-N 3.43Å; T215-I217 WeakPolarHBondContact OG1-CG2 3.44Å; T215-T218 PolarHBondContact N-OG1 3.04Å; T215-T218 CarbonylContact O-C 3.54Å; T215-T218 PolarHBondContact O-N 3.29Å; T215-T218 PolarHBondContact O-OG1 3.48Å; T215-T218 PolarHBondContact OG1-OG1 3.48Å; T215-A219 PolarHBondContact O-N 3.2Å; T215-G220 PolarHBondContact O-N 3.2Å
216E95.3Very high97Very high81 Ų8151.2 Ų51.238%0.37928%0.276SS..G310 helixtrans-59.9-40.4-179.1-173.3174.5176.600113.1T136 R137 T218 A219 Y221T136-E216 HydrophobicContact CG2-CB 4.09Å; T136-E216 HydrophobicContact CG2-CG 4.11Å; R137-E216 WeakPolarHBondContact CG-OE2 3.47Å; R137-E216 IonicContact CZ-OE1 2.59Å; R137-E216 VanDerWaalsContact CZ-OE1 3.29Å; R137-E216 IonicContact CZ-OE2 2.89Å; R137-E216 VanDerWaalsContact NE-CD 3.34Å; R137-E216 IonicContact NE-OE1 3.25Å; R137-E216 PolarHBondContact NE-OE1 3.37Å; R137-E216 IonicContact NE-OE2 2.69Å; R137-E216 PolarHBondContact NE-OE2 2.87Å; R137-E216 IonicContact NH2-OE1 2.76Å; R137-E216 PolarHBondContact NH2-OE1 3.16Å; R137-E216 IonicContact NH2-OE2 3.9Å; E216-T218 PolarHBondContact O-N 3.11Å; E216-A219 PolarHBondContact O-N 3.04Å; E216-Y221 HydrophobicContact CG-CD1 4.33Å
217I96.4Very high97.3Very high162 Ų16245.3 Ų45.383%0.83125%0.245SC*.G310 helixtrans-65.2-28-178.8-163.771.3000112.1T215 A219T215-I217 VanDerWaalsContact C-N 3.33Å; T215-I217 PolarHBondContact O-N 3.43Å; T215-I217 WeakPolarHBondContact OG1-CG2 3.44Å; I217-A219 VanDerWaalsContact C-N 3.33Å
218T96.4Very high97.4Very high81 Ų8147.2 Ų47.250%0.49725%0.254SS..G310 helixtrans-96.517.3175.848.80000112.9G213 T215 E216G213-T218 CarbonylContact C-O 3.54Å; G213-T218 CarbonylContact O-C 3.53Å; G213-T218 WeakPolarHBondContact O-CB 3.45Å; G213-T218 PolarHBondContact O-OG1 3.23Å; T215-T218 PolarHBondContact N-OG1 3.04Å; T215-T218 CarbonylContact O-C 3.54Å; T215-T218 PolarHBondContact O-N 3.29Å; T215-T218 PolarHBondContact O-OG1 3.48Å; T215-T218 PolarHBondContact OG1-OG1 3.48Å; E216-T218 PolarHBondContact O-N 3.11Å
219A97.4Very high97.5Very high22 Ų2250.3 Ų50.318%0.18227%0.269CS..THydrogen-bonded Turntrans7030.5176.300000116.4T215 E216 I217 Y221 K222T215-A219 PolarHBondContact O-N 3.2Å; E216-A219 PolarHBondContact O-N 3.04Å; I217-A219 VanDerWaalsContact C-N 3.33Å; A219-Y221 HydrophobicContact CB-CE1 3.9Å; A219-Y221 PolarHBondContact O-N 3.15Å; A219-K222 HydrophobicContact CB-CD 4.08Å; A219-K222 HydrophobicContact CB-CG 4.28Å; A219-K222 WeakPolarHBondContact O-CB 3.25Å; A219-K222 PolarHBondContact O-N 3.04Å
220G97.1Very high97.5Very high0 Ų050.3 Ų50.30%027%0.269CS..Hα-helixtrans-52.5-25.7172.200000114.7P211 L212 G213 G214 T215 K222 G223 Y224P211-G220 WeakPolarHBondContact CB-O 3.32Å; L212-G220 WeakPolarHBondContact O-CA 3.35Å; G213-G220 PolarHBondContact O-N 3.47Å; G214-G220 WeakPolarHBondContact O-CA 3.45Å; T215-G220 PolarHBondContact O-N 3.2Å; G220-K222 PolarHBondContact O-N 3.33Å; G220-K222 VanDerWaalsContact O-N 3.16Å; G220-G223 PolarHBondContact O-N 3.35Å; G220-G223 VanDerWaalsContact O-N 3.15Å; G220-Y224 PolarHBondContact O-N 3.37Å
221Y97.7Very high97.6Very high120 Ų12050 Ų5047%0.47127%0.267SS..Hα-helixtrans-60.6-24.3174.661.7-96.2000113.4T136 E216 A219 G225T136-Y221 VanDerWaalsContact OG1-CA 3.27Å; T136-Y221 WeakPolarHBondContact OG1-CA 3.17Å; T136-Y221 PolarHBondContact OG1-N 3.15Å; E216-Y221 HydrophobicContact CG-CD1 4.33Å; A219-Y221 HydrophobicContact CB-CE1 3.9Å; A219-Y221 PolarHBondContact O-N 3.15Å; Y221-G225 PolarHBondContact O-N 3.5Å
222K98.5Very high97.6Very high133 Ų13353.1 Ų53.158%0.57829%0.286SS*.Hα-helixtrans-70.4-46.2174.4-63.1-176.5-180-179.80111.2A219 G220 Y224 G225 L226A219-K222 HydrophobicContact CB-CD 4.08Å; A219-K222 HydrophobicContact CB-CG 4.28Å; A219-K222 WeakPolarHBondContact O-CB 3.25Å; A219-K222 PolarHBondContact O-N 3.04Å; G220-K222 PolarHBondContact O-N 3.33Å; G220-K222 VanDerWaalsContact O-N 3.16Å; K222-Y224 VanDerWaalsContact C-N 3.3Å; K222-Y224 PolarHBondContact O-N 3.39Å; K222-G225 PolarHBondContact O-N 2.76Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 2.94Å
223G98.2Very high97.6Very high0 Ų052.2 Ų52.20%028%0.279CS..Hα-helixtrans-60.9-40.1172.700000112.5L212 G220 L226 A227L212-G223 VanDerWaalsContact O-CA 3.3Å; L212-G223 WeakPolarHBondContact O-CA 3.13Å; L212-G223 PolarHBondContact O-N 3.1Å; L212-G223 VanDerWaalsContact O-N 3.15Å; G220-G223 PolarHBondContact O-N 3.35Å; G220-G223 VanDerWaalsContact O-N 3.15Å; G223-L226 PolarHBondContact O-N 3.15Å; G223-A227 PolarHBondContact O-N 2.92Å
224Y98.2Very high97.7Very high81 Ų8151 Ų5132%0.31827%0.266SS..Hα-helixtrans-63.6-40.7174.4170.7-132.4000112P135 M143 G220 K222 L226 A227 T228P135-Y224 HydrophobicContact CB-CD2 4.17Å; P135-Y224 HydrophobicContact CB-CE1 4.23Å; P135-Y224 HydrophobicContact CB-CE2 3.72Å; P135-Y224 HydrophobicContact CG-CE2 4.19Å; M143-Y224 HydrophobicContact CG-CE2 4.37Å; G220-Y224 PolarHBondContact O-N 3.37Å; K222-Y224 VanDerWaalsContact C-N 3.3Å; K222-Y224 PolarHBondContact O-N 3.39Å; Y224-L226 PolarHBondContact O-N 3.29Å; Y224-A227 PolarHBondContact O-N 2.86Å; Y224-T228 VanDerWaalsContact CE2-OG1 3.22Å; Y224-T228 WeakPolarHBondContact CE2-OG1 3.45Å; Y224-T228 WeakPolarHBondContact O-CB 3.19Å; Y224-T228 PolarHBondContact O-N 2.89Å; Y224-T228 PolarHBondContact O-OG1 3.35Å
225G98.5Very high97.9Very high39 Ų3950.9 Ų50.940%0.40227%0.265SS..Hα-helixtrans-58.5-45.4172.300000112.5Y221 K222 T228 M229Y221-G225 PolarHBondContact O-N 3.5Å; K222-G225 PolarHBondContact O-N 2.76Å; G225-T228 PolarHBondContact O-N 3.36Å; G225-M229 PolarHBondContact O-N 2.91Å
226L98.7Very high98Very high57 Ų5753.4 Ų53.430%0.29828%0.276SS..Hα-helixtrans-62.5-43.9175.1-66.4174.6000112.1I148 M164 T166 L212 K222 G223 Y224 T228 M229 V230I148-L226 HydrophobicContact CD1-CB 4Å; I148-L226 HydrophobicContact CD1-CD2 4.09Å; I148-L226 HydrophobicContact CD1-CG 4.45Å; M164-L226 HydrophobicContact CE-CD1 4.33Å; T166-L226 HydrophobicContact CG2-CB 3.53Å; L212-L226 HydrophobicContact CD2-CD1 4.29Å; K222-L226 WeakPolarHBondContact O-CG 3.49Å; K222-L226 PolarHBondContact O-N 2.94Å; G223-L226 PolarHBondContact O-N 3.15Å; Y224-L226 PolarHBondContact O-N 3.29Å; L226-T228 PolarHBondContact O-N 2.79Å; L226-M229 HydrophobicContact CD2-CE 4.32Å; L226-M229 WeakPolarHBondContact O-CB 3.36Å; L226-M229 PolarHBondContact O-N 2.93Å; L226-V230 WeakPolarHBondContact O-CG2 3.31Å; L226-V230 PolarHBondContact O-N 2.95Å
227A98.5Very high98.2Very high2 Ų254.1 Ų54.12%0.01728%0.282CS..Hα-helixtrans-59.8-36.2176.300000112.2M143 N146 T166 G223 Y224 V230 E231M143-A227 HydrophobicContact CE-CB 4.29Å; M143-A227 WeakPolarHBondContact CE-O 3.22Å; N146-A227 HydrophobicContact CB-CB 4.22Å; N146-A227 PolarHBondContact ND2-O 2.9Å; T166-A227 WeakPolarHBondContact OG1-CA 3.28Å; T166-A227 VanDerWaalsContact OG1-CB 3.31Å; T166-A227 WeakPolarHBondContact OG1-CB 3.47Å; G223-A227 PolarHBondContact O-N 2.92Å; Y224-A227 PolarHBondContact O-N 2.86Å; A227-V230 PolarHBondContact O-N 2.9Å; A227-E231 PolarHBondContact O-N 2.79Å; A227-E231 VanDerWaalsContact O-N 3.12Å
228T98.5Very high98.3Very high49 Ų4946.4 Ų46.430%0.30124%0.242SC..Hα-helixtrans-75.1-38.7179-52.40000111.7Y224 G225 L226 V230 E231 V232Y224-T228 VanDerWaalsContact CE2-OG1 3.22Å; Y224-T228 WeakPolarHBondContact CE2-OG1 3.45Å; Y224-T228 WeakPolarHBondContact O-CB 3.19Å; Y224-T228 PolarHBondContact O-N 2.89Å; Y224-T228 PolarHBondContact O-OG1 3.35Å; G225-T228 PolarHBondContact O-N 3.36Å; L226-T228 PolarHBondContact O-N 2.79Å; T228-V230 VanDerWaalsContact C-N 3.25Å; T228-V230 PolarHBondContact O-N 2.84Å; T228-E231 WeakPolarHBondContact O-CB 2.86Å; T228-E231 PolarHBondContact O-N 2.83Å; T228-E231 VanDerWaalsContact O-N 3.14Å; T228-V232 WeakPolarHBondContact O-CG2 3.47Å; T228-V232 PolarHBondContact O-N 3.41Å
229M98.8Very high98.4Very high69 Ų6944.9 Ų44.934%0.3424%0.243SC..Hα-helixtrans-56.5-42.4170.2-178.8-169.874.200111.2F126 I148 G225 L226 V232 F233F126-M229 HydrophobicContact CE1-CE 4.42Å; I148-M229 HydrophobicContact CD1-CE 3.7Å; I148-M229 HydrophobicContact CG1-CE 4.43Å; G225-M229 PolarHBondContact O-N 2.91Å; L226-M229 HydrophobicContact CD2-CE 4.32Å; L226-M229 WeakPolarHBondContact O-CB 3.36Å; L226-M229 PolarHBondContact O-N 2.93Å; M229-V232 WeakPolarHBondContact O-CB 3.48Å; M229-V232 PolarHBondContact O-N 2.99Å; M229-F233 HydrophobicContact CE-CE2 4.35Å; M229-F233 HydrophobicContact CG-CD2 4.3Å; M229-F233 HydrophobicContact CG-CE2 3.67Å; M229-F233 HydrophobicContact CG-CZ 3.96Å; M229-F233 PolarHBondContact O-N 2.83Å; M229-F233 VanDerWaalsContact O-N 3.16Å; M229-F233 HydrophobicContact SD-CE2 4.1Å
230V98.8Very high98.5Very high0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-63.8-41.5174.9173.60000111.6F126 T127 N146 I148 L226 A227 T228 V232 F233 C234F126-V230 HydrophobicContact CB-CG1 4.31Å; F126-V230 HydrophobicContact CD1-CG2 4.09Å; T127-V230 WeakPolarHBondContact O-CG1 3.1Å; N146-V230 HydrophobicContact CB-CB 3.88Å; N146-V230 HydrophobicContact CB-CG1 3.7Å; N146-V230 HydrophobicContact CB-CG2 4.49Å; I148-V230 HydrophobicContact CD1-CG2 4.05Å; I148-V230 HydrophobicContact CG1-CG2 3.54Å; L226-V230 WeakPolarHBondContact O-CG2 3.31Å; L226-V230 PolarHBondContact O-N 2.95Å; A227-V230 PolarHBondContact O-N 2.9Å; T228-V230 VanDerWaalsContact C-N 3.25Å; T228-V230 PolarHBondContact O-N 2.84Å; V230-V232 VanDerWaalsContact C-N 3.29Å; V230-V232 PolarHBondContact O-N 3.25Å; V230-F233 PolarHBondContact O-N 2.81Å; V230-C234 HydrophobicContact CG1-CB 4.4Å; V230-C234 WeakPolarHBondContact O-CB 3.21Å; V230-C234 PolarHBondContact O-N 3.13Å; V230-C234 PolarHBondContact O-SG 3.34Å; V230-C234 VanDerWaalsContact O-SG 3.33Å
231E98.4Very high98.6Very high10 Ų1046.5 Ų46.55%0.04725%0.249CC..Hα-helixtrans-59.9-38172.3-77.5-59.5164.200112.8N128 M143 N146 A227 T228 F233 G235 I236 Y242 G243N128-E231 WeakPolarHBondContact CB-OE1 3.3Å; N128-E231 PolarHBondContact ND2-OE2 3.34Å; M143-E231 HydrophobicContact CE-CB 4.12Å; M143-E231 HydrophobicContact CE-CG 3.19Å; M143-E231 HydrophobicContact SD-CG 3.86Å; N146-E231 WeakPolarHBondContact ND2-CG 3.11Å; N146-E231 PolarHBondContact ND2-OE1 3.39Å; N146-E231 VanDerWaalsContact ND2-OE1 3.1Å; A227-E231 PolarHBondContact O-N 2.79Å; A227-E231 VanDerWaalsContact O-N 3.12Å; T228-E231 WeakPolarHBondContact O-CB 2.86Å; T228-E231 PolarHBondContact O-N 2.83Å; T228-E231 VanDerWaalsContact O-N 3.14Å; E231-F233 VanDerWaalsContact C-N 3.34Å; E231-F233 PolarHBondContact O-N 2.77Å; E231-G235 CarbonylContact O-C 3.53Å; E231-G235 VanDerWaalsContact O-CA 3.31Å; E231-G235 WeakPolarHBondContact O-CA 3.32Å; E231-G235 PolarHBondContact O-N 3.02Å; E231-I236 PolarHBondContact O-N 3.13Å; E231-Y242 WeakPolarHBondContact OE2-CA 3.48Å; E231-Y242 WeakPolarHBondContact OE2-CB 3.38Å; E231-G243 PolarHBondContact OE1-N 3.02Å
232V98.8Very high98.6Very high72 Ų7246.1 Ų46.144%0.43625%0.248SC..Iπ-helixtrans-60.6-46.1177.5171.60000110.4T228 M229 V230 L237T228-V232 WeakPolarHBondContact O-CG2 3.47Å; T228-V232 PolarHBondContact O-N 3.41Å; M229-V232 WeakPolarHBondContact O-CB 3.48Å; M229-V232 PolarHBondContact O-N 2.99Å; V230-V232 VanDerWaalsContact C-N 3.29Å; V230-V232 PolarHBondContact O-N 3.25Å; V232-L237 WeakPolarHBondContact O-CB 3.5Å; V232-L237 PolarHBondContact O-N 2.95Å
233F98.8Very high98.5Very high47 Ų4740 Ų4021%0.20622%0.223CC..Iπ-helixtrans-75-39.8179.8-60-29.4000113.4W97 M229 V230 E231 L237 C261W97-F233 HydrophobicContact CH2-CD1 4.49Å; W97-F233 HydrophobicContact CH2-CD2 4.48Å; W97-F233 HydrophobicContact CH2-CE1 4.15Å; W97-F233 HydrophobicContact CH2-CE2 4.14Å; W97-F233 AromaticContact CH2-CZ 3.97Å; W97-F233 HydrophobicContact CH2-CZ 3.97Å; W97-F233 AromaticContact CZ2-CD1 3.89Å; W97-F233 HydrophobicContact CZ2-CD1 3.89Å; W97-F233 HydrophobicContact CZ2-CD2 4.26Å; W97-F233 AromaticContact CZ2-CE1 3.96Å; W97-F233 HydrophobicContact CZ2-CE1 3.96Å; W97-F233 HydrophobicContact CZ2-CE2 4.32Å; W97-F233 HydrophobicContact CZ2-CG 4.05Å; W97-F233 HydrophobicContact CZ2-CZ 4.18Å; M229-F233 HydrophobicContact CE-CE2 4.35Å; M229-F233 HydrophobicContact CG-CD2 4.3Å; M229-F233 HydrophobicContact CG-CE2 3.67Å; M229-F233 HydrophobicContact CG-CZ 3.96Å; M229-F233 PolarHBondContact O-N 2.83Å; M229-F233 VanDerWaalsContact O-N 3.16Å; M229-F233 HydrophobicContact SD-CE2 4.1Å; V230-F233 PolarHBondContact O-N 2.81Å; E231-F233 VanDerWaalsContact C-N 3.34Å; E231-F233 PolarHBondContact O-N 2.77Å; F233-L237 HydrophobicContact CD1-CD2 4.5Å; F233-C261 HydrophobicContact CB-CB 4.08Å
234C98.8Very high98.4Very high0 Ų045.8 Ų45.80%025%0.248CC..Iπ-helixtrans-90.3-55.4-170.1-65.70000111F126 T127 N128 V230 S238 G259F126-C234 VanDerWaalsContact C-SG 3.56Å; T127-C234 VanDerWaalsContact CA-SG 3.55Å; N128-C234 HydrophobicContact CB-CB 3.98Å; V230-C234 HydrophobicContact CG1-CB 4.4Å; V230-C234 WeakPolarHBondContact O-CB 3.21Å; V230-C234 PolarHBondContact O-N 3.13Å; V230-C234 PolarHBondContact O-SG 3.34Å; V230-C234 VanDerWaalsContact O-SG 3.33Å; C234-S238 WeakPolarHBondContact O-CB 3.49Å; C234-S238 PolarHBondContact O-OG 2.8Å; C234-G259 VanDerWaalsContact CB-O 3.25Å; C234-G259 WeakPolarHBondContact CB-O 3.35Å; C234-G259 WeakPolarHBondContact O-CA 3.45Å
235G98.6Very high98.3Very high0 Ų046.7 Ų46.70%026%0.255CS..Iπ-helixtrans-76.7-63.3-179.700000112.2N128 E231 G239 A240N128-G235 WeakPolarHBondContact ND2-CA 3.39Å; N128-G235 PolarHBondContact ND2-N 2.94Å; E231-G235 CarbonylContact O-C 3.53Å; E231-G235 VanDerWaalsContact O-CA 3.31Å; E231-G235 WeakPolarHBondContact O-CA 3.32Å; E231-G235 PolarHBondContact O-N 3.02Å; G235-G239 PolarHBondContact O-N 3Å; G235-G239 VanDerWaalsContact O-N 3.13Å; G235-A240 PolarHBondContact O-N 3.48Å
236I98.7Very high98.3Very high97 Ų9745 Ų4550%0.49724%0.236SC..Iπ-helixtrans-69.9-52.7-168.1-52.4-55.8000111.9E231 S238 G239 Y242E231-I236 PolarHBondContact O-N 3.13Å; I236-S238 PolarHBondContact O-N 3.04Å; I236-G239 PolarHBondContact O-N 3.12Å; I236-Y242 HydrophobicContact CD1-CD1 3.72Å; I236-Y242 HydrophobicContact CD1-CD2 4.1Å; I236-Y242 HydrophobicContact CD1-CE1 3.96Å; I236-Y242 HydrophobicContact CD1-CE2 4.31Å; I236-Y242 HydrophobicContact CD1-CG 3.79Å
237L98.8Very high98.2Very high95 Ų9543.2 Ų43.250%0.49723%0.226SC..THydrogen-bonded Turntrans-69.7-32.1-175.118061.7000112.8V99 V232 F233V99-L237 HydrophobicContact CG1-CD2 3.85Å; V99-L237 HydrophobicContact CG1-CG 4.09Å; V99-L237 HydrophobicContact CG2-CG 4.35Å; V232-L237 WeakPolarHBondContact O-CB 3.5Å; V232-L237 PolarHBondContact O-N 2.95Å; F233-L237 HydrophobicContact CD1-CD2 4.5Å
238S98.7Very high98Very high0 Ų051.3 Ų51.30%026%0.256CS..THydrogen-bonded Turntrans-83.7-15.9177.386.40000113.6W67 A100 K101 C234 I236 A240W67-S238 PolarHBondContact NE1-O 3.05Å; A100-S238 WeakPolarHBondContact O-CB 3.45Å; A100-S238 PolarHBondContact O-OG 2.85Å; K101-S238 WeakPolarHBondContact CB-O 3.47Å; C234-S238 WeakPolarHBondContact O-CB 3.49Å; C234-S238 PolarHBondContact O-OG 2.8Å; I236-S238 PolarHBondContact O-N 3.04Å; S238-A240 VanDerWaalsContact C-N 3.33Å; S238-A240 WeakPolarHBondContact OG-CB 3.5Å; S238-A240 PolarHBondContact OG-N 3.1Å
239G98.6Very high97.7Very high49 Ų4951.3 Ų51.351%0.50525%0.25SS..THydrogen-bonded Turntrans72.724.5-171.500000113.9G235 I236G235-G239 PolarHBondContact O-N 3Å; G235-G239 VanDerWaalsContact O-N 3.13Å; I236-G239 PolarHBondContact O-N 3.12Å
240A98.7Very high97.1Very high7 Ų751.9 Ų51.96%0.05825%0.251CS..  trans-82.4176.1172.800000111.9K101 G235 S238 N257K101-A240 HydrophobicContact CB-CB 3.86Å; G235-A240 PolarHBondContact O-N 3.48Å; S238-A240 VanDerWaalsContact C-N 3.33Å; S238-A240 WeakPolarHBondContact OG-CB 3.5Å; S238-A240 PolarHBondContact OG-N 3.1Å; A240-N257 WeakPolarHBondContact CB-O 3.39Å
241N98.5Very high96.7Very high49 Ų4954.4 Ų54.426%0.26227%0.265SS..  trans-66.3151.4167.7-72.2-3.6000109.7N128 H245 I246 N257N128-N241 PolarHBondContact ND2-O 3.16Å; N241-H245 PolarHBondContact ND2-O 3.39Å; N241-I246 HydrophobicContact CB-CG1 3.79Å; N241-N257 HydrophobicContact CB-CB 4.34Å; N241-N257 PolarHBondContact N-ND2 3.14Å; N241-N257 PolarHBondContact N-O 3Å; N241-N257 PolarHBondContact OD1-ND2 3.16Å; N241-N257 VanDerWaalsContact OD1-ND2 3.09Å
242Y98.2Very high96.2Very high112 Ų11255.8 Ų55.844%0.43928%0.275SS..  trans-140.8150.3-177.458-93.1000112.3E231 I236 K244 H245E231-Y242 WeakPolarHBondContact OE2-CA 3.48Å; E231-Y242 WeakPolarHBondContact OE2-CB 3.38Å; I236-Y242 HydrophobicContact CD1-CD1 3.72Å; I236-Y242 HydrophobicContact CD1-CD2 4.1Å; I236-Y242 HydrophobicContact CD1-CE1 3.96Å; I236-Y242 HydrophobicContact CD1-CE2 4.31Å; I236-Y242 HydrophobicContact CD1-CG 3.79Å; Y242-K244 PolarHBondContact O-N 3.2Å; Y242-H245 AromaticContact CE2-CD2 3.79Å; Y242-H245 WeakPolarHBondContact O-CB 3.44Å; Y242-H245 PolarHBondContact O-N 2.96Å
243G97Very high95.8Very high5 Ų556 Ų565%0.05228%0.28CS..G310 helixtrans48.5-127.7176.700000113.5M142 E231 H245 I246M142-G243 CarbonylContact O-C 3.25Å; M142-G243 WeakPolarHBondContact O-CA 3.37Å; E231-G243 PolarHBondContact OE1-N 3.02Å; G243-H245 PolarHBondContact O-N 3.45Å; G243-H245 VanDerWaalsContact O-N 3.13Å; G243-I246 PolarHBondContact O-N 2.8Å
244K95.5Very high95.7Very high121 Ų12158.4 Ų58.453%0.52629%0.292SS..G310 helixtrans-66.8-8.6-179.568.2164.9176-178.80115.6M142 Y242 I246M142-K244 HydrophobicContact CE-CB 4.15Å; M142-K244 HydrophobicContact CE-CD 3.72Å; M142-K244 HydrophobicContact CE-CG 3.92Å; M142-K244 PolarHBondContact O-N 3.07Å; M142-K244 HydrophobicContact SD-CB 4.04Å; M142-K244 HydrophobicContact SD-CD 4.12Å; M142-K244 HydrophobicContact SD-CG 4.39Å; Y242-K244 PolarHBondContact O-N 3.2Å; K244-I246 VanDerWaalsContact C-N 3.32Å
245H96.9Very high95.6Very high100 Ų10061.8 Ų61.846%0.46331%0.312SS..G310 helixtrans-86.6-7.6177.7-59.5-77.4000112.4N241 Y242 G243N241-H245 PolarHBondContact ND2-O 3.39Å; Y242-H245 AromaticContact CE2-CD2 3.79Å; Y242-H245 WeakPolarHBondContact O-CB 3.44Å; Y242-H245 PolarHBondContact O-N 2.96Å; G243-H245 PolarHBondContact O-N 3.45Å; G243-H245 VanDerWaalsContact O-N 3.13Å
246I97.8Very high95.5Very high4 Ų461.9 Ų61.92%0.02131%0.313CS..SBendtrans-81.1135.9170.3-57.4168.7000108.1N128 T129 P131 N241 G243 K244 L258N128-I246 HydrophobicContact CB-CD1 4.14Å; T129-I246 WeakPolarHBondContact O-CD1 3.32Å; P131-I246 WeakPolarHBondContact CD-O 3.39Å; N241-I246 HydrophobicContact CB-CG1 3.79Å; G243-I246 PolarHBondContact O-N 2.8Å; K244-I246 VanDerWaalsContact C-N 3.32Å; I246-L258 HydrophobicContact CD1-CD2 4.26Å; I246-L258 HydrophobicContact CG1-CD2 4.46Å; I246-L258 HydrophobicContact CG2-CD2 3.4Å; I246-L258 VanDerWaalsContact CG2-CD2 3.4Å
247R95.9Very high95.5Very high19 Ų1958.9 Ų58.97%0.07230%0.298CS..PPolyproline II helixtrans-51.7154.5175.477.2-176.3-174.9163.57.1112.1D44 S130 D251 E254 A256D44-R247 IonicContact OD1-CZ 3.09Å; D44-R247 IonicContact OD1-NH1 3.89Å; D44-R247 PolarHBondContact OD1-NH1 3.15Å; D44-R247 VanDerWaalsContact OD1-NH1 3.09Å; D44-R247 IonicContact OD1-NH2 3.3Å; D44-R247 PolarHBondContact OD1-NH2 3.21Å; D44-R247 IonicContact OD2-CZ 3.12Å; D44-R247 IonicContact OD2-NH2 3.75Å; D44-R247 PolarHBondContact OD2-NH2 2.7Å; S130-R247 WeakPolarHBondContact CB-O 3.5Å; S130-R247 PolarHBondContact OG-O 3.38Å; R247-D251 VanDerWaalsContact CD-O 3.24Å; R247-D251 WeakPolarHBondContact CD-O 3.42Å; R247-D251 VanDerWaalsContact CZ-O 3.29Å; R247-D251 PolarHBondContact NE-O 2.89Å; R247-D251 PolarHBondContact NH1-O 3.44Å; R247-E254 HydrophobicContact CB-CG 3.61Å; R247-E254 WeakPolarHBondContact CB-OE1 3.5Å; R247-E254 WeakPolarHBondContact CD-O 3.32Å; R247-E254 PolarHBondContact NH1-O 3.25Å; R247-A256 HydrophobicContact CG-CB 4.31Å
248R94.4Very high95.5Very high172 Ų17254.7 Ų54.765%0.64928%0.276SS*.PPolyproline II helixtrans-65.4156.3-178.7-67.9-175.7179.9-167.31.8111.9K250 D251R248-K250 PolarHBondContact O-N 3.13Å; R248-D251 HydrophobicContact CB-CB 3.89Å; R248-D251 VanDerWaalsContact O-CB 3.27Å; R248-D251 WeakPolarHBondContact O-CB 3.24Å; R248-D251 PolarHBondContact O-N 3.03Å; R248-D251 VanDerWaalsContact O-N 3.09Å
249W92Very high95.5Very high49 Ų4954.7 Ų54.719%0.18628%0.276CS..THydrogen-bonded Turntrans-61.3131.2178.3179.9-112.1000110.5M40 H105 S130 L132 L171 D251M40-W249 HydrophobicContact CE-CH2 4.05Å; M40-W249 HydrophobicContact SD-CH2 3.54Å; M40-W249 VanDerWaalsContact SD-CH2 3.54Å; M40-W249 HydrophobicContact SD-CZ2 3.79Å; M40-W249 HydrophobicContact SD-CZ3 3.97Å; H105-W249 AromaticContact CD2-CH2 3.78Å; H105-W249 AromaticContact CD2-CZ3 3.7Å; H105-W249 AromaticContact NE2-CH2 3.86Å; S130-W249 PolarHBondContact OG-N 2.91Å; L132-W249 HydrophobicContact CD1-CB 4.5Å; L132-W249 HydrophobicContact CD1-CG 4.48Å; L132-W249 HydrophobicContact CD2-CB 3.94Å; L132-W249 HydrophobicContact CD2-CG 4.43Å; L132-W249 HydrophobicContact CG-CB 4.49Å; L171-W249 VanDerWaalsContact CD2-CD1 3.46Å; L171-W249 HydrophobicContact CD2-CG 4.06Å; W249-D251 PolarHBondContact O-N 3.25Å
250K87.4Confident95.5Very high82 Ų8252.3 Ų52.336%0.35725%0.252SS..THydrogen-bonded Turntrans61.110.5-174.1-65.7172.6166.5173.20115.6M40 E175 R248 S252M40-K250 HydrophobicContact CG-CG 4.4Å; M40-K250 HydrophobicContact SD-CG 4.39Å; E175-K250 IonicContact OE1-NZ 3.41Å; E175-K250 PolarHBondContact OE1-NZ 2.77Å; R248-K250 PolarHBondContact O-N 3.13Å; K250-S252 PolarHBondContact O-N 2.89Å
251D89.7Confident95.5Very high53 Ų5352 Ų5228%0.28325%0.249SC..  trans-81.8111.1171.7-171.4-9.1000109.5R247 R248 W249 S253R247-D251 VanDerWaalsContact CD-O 3.24Å; R247-D251 WeakPolarHBondContact CD-O 3.42Å; R247-D251 VanDerWaalsContact CZ-O 3.29Å; R247-D251 PolarHBondContact NE-O 2.89Å; R247-D251 PolarHBondContact NH1-O 3.44Å; R248-D251 HydrophobicContact CB-CB 3.89Å; R248-D251 VanDerWaalsContact O-CB 3.27Å; R248-D251 WeakPolarHBondContact O-CB 3.24Å; R248-D251 PolarHBondContact O-N 3.03Å; R248-D251 VanDerWaalsContact O-N 3.09Å; W249-D251 PolarHBondContact O-N 3.25Å; D251-S253 VanDerWaalsContact CG-OG 3.32Å; D251-S253 VanDerWaalsContact OD1-CB 3.23Å; D251-S253 WeakPolarHBondContact OD1-CB 3.49Å; D251-S253 PolarHBondContact OD1-N 3.42Å; D251-S253 VanDerWaalsContact OD1-N 3.16Å; D251-S253 PolarHBondContact OD1-OG 3.22Å; D251-S253 PolarHBondContact OD2-OG 2.98Å
252S88.9Confident95.5Very high39 Ų3949.7 Ų49.727%0.27324%0.237SC..  trans-105.861.2175.1-60.20000108.9D44 F49 K250D44-S252 PolarHBondContact OD1-OG 3.13Å; F49-S252 WeakPolarHBondContact CD2-O 3.36Å; F49-S252 WeakPolarHBondContact CE2-O 3.41Å; F49-S252 WeakPolarHBondContact CZ-O 3.45Å; K250-S252 PolarHBondContact O-N 2.89Å
253S90.7Very high95.6Very high76 Ų7644.4 Ų44.453%0.53122%0.216SC..SBendtrans-119.6-15.6173.863.40000113.7F49 D251F49-S253 VanDerWaalsContact CE1-O 3.25Å; F49-S253 WeakPolarHBondContact CE1-O 3.25Å; D251-S253 VanDerWaalsContact CG-OG 3.32Å; D251-S253 VanDerWaalsContact OD1-CB 3.23Å; D251-S253 WeakPolarHBondContact OD1-CB 3.49Å; D251-S253 PolarHBondContact OD1-N 3.42Å; D251-S253 VanDerWaalsContact OD1-N 3.16Å; D251-S253 PolarHBondContact OD1-OG 3.22Å; D251-S253 PolarHBondContact OD2-OG 2.98Å
254E95.3Very high95.7Very high98 Ų9844.1 Ų44.146%0.45821%0.214SC..SBendtrans-147.7165.9175.865.2-176.9156.600110.9R247R247-E254 HydrophobicContact CB-CG 3.61Å; R247-E254 WeakPolarHBondContact CB-OE1 3.5Å; R247-E254 WeakPolarHBondContact CD-O 3.32Å; R247-E254 PolarHBondContact NH1-O 3.25Å
255V96.6Very high95.8Very high70 Ų7040 Ų4042%0.42420%0.197SC..  trans-71140.7176.9-57.80000110.6
256A97Very high95.9Very high3 Ų336.7 Ų36.73%0.02518%0.182CC..  trans-70.3-40.2-17700000112.8N104 R247 L258N104-A256 WeakPolarHBondContact OD1-CB 3.43Å; R247-A256 HydrophobicContact CG-CB 4.31Å; A256-L258 VanDerWaalsContact C-N 3.3Å; A256-L258 HydrophobicContact CB-CD2 3.99Å; A256-L258 HydrophobicContact CB-CG 3.8Å; A256-L258 PolarHBondContact O-N 2.91Å
257N98.3Very high95.9Very high34 Ų3436.9 Ų36.918%0.18218%0.184CC..  trans46.253.8-171.1-175.730.2000111.5G102 A240 N241G102-N257 WeakPolarHBondContact CA-OD1 3.47Å; G102-N257 PolarHBondContact N-OD1 3.15Å; A240-N257 WeakPolarHBondContact CB-O 3.39Å; N241-N257 HydrophobicContact CB-CB 4.34Å; N241-N257 PolarHBondContact N-ND2 3.14Å; N241-N257 PolarHBondContact N-O 3Å; N241-N257 PolarHBondContact OD1-ND2 3.16Å; N241-N257 VanDerWaalsContact OD1-ND2 3.09Å
258L98.7Very high96Very high6 Ų642.1 Ų42.13%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-71.8146.5177.2-57.1-172.9000110.4S103 I246 A256S103-L258 WeakPolarHBondContact CB-O 3.42Å; S103-L258 PolarHBondContact N-O 3.06Å; S103-L258 VanDerWaalsContact N-O 3.11Å; S103-L258 PolarHBondContact O-N 3.27Å; I246-L258 HydrophobicContact CD1-CD2 4.26Å; I246-L258 HydrophobicContact CG1-CD2 4.46Å; I246-L258 HydrophobicContact CG2-CD2 3.4Å; I246-L258 VanDerWaalsContact CG2-CD2 3.4Å; A256-L258 VanDerWaalsContact C-N 3.3Å; A256-L258 HydrophobicContact CB-CD2 3.99Å; A256-L258 HydrophobicContact CB-CG 3.8Å; A256-L258 PolarHBondContact O-N 2.91Å
259G98.8Very high96.2Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-100.4142.5174.200000111.3A100 T127 N128 C234A100-G259 CarbonylContact O-C 3.51Å; A100-G259 VanDerWaalsContact O-CA 3.29Å; A100-G259 WeakPolarHBondContact O-CA 3.41Å; T127-G259 WeakPolarHBondContact CA-O 3.45Å; T127-G259 PolarHBondContact OG1-O 3.37Å; N128-G259 PolarHBondContact N-O 2.96Å; N128-G259 VanDerWaalsContact N-O 3.17Å; N128-G259 PolarHBondContact OD1-N 3.24Å; N128-G259 PolarHBondContact OD1-O 3.06Å; C234-G259 VanDerWaalsContact CB-O 3.25Å; C234-G259 WeakPolarHBondContact CB-O 3.35Å; C234-G259 WeakPolarHBondContact O-CA 3.45Å
260Q98.9Very high96.5Very high0 Ų041.1 Ų41.10%023%0.226CC..EExtended strand (participates in β ladder)trans-138.9151.7-179.5-74.3157.8-1.900111V99 A100 S103 N104 Y106 F126 T127 F262V99-Q260 CarbonylContact C-O 3.54Å; V99-Q260 WeakPolarHBondContact CA-O 3.3Å; A100-Q260 PolarHBondContact N-O 3.4Å; A100-Q260 PolarHBondContact O-N 2.91Å; S103-Q260 PolarHBondContact OG-NE2 3.41Å; S103-Q260 VanDerWaalsContact OG-NE2 3.11Å; S103-Q260 PolarHBondContact OG-OE1 3.1Å; N104-Q260 PolarHBondContact O-NE2 3.2Å; N104-Q260 VanDerWaalsContact O-NE2 3.09Å; Y106-Q260 HydrophobicContact CD2-CG 3.81Å; Y106-Q260 HydrophobicContact CE2-CG 3.82Å; F126-Q260 WeakPolarHBondContact O-CA 3.24Å; T127-Q260 VanDerWaalsContact OG1-CG 3.3Å; T127-Q260 WeakPolarHBondContact OG1-CG 3.31Å; Q260-F262 HydrophobicContact CB-CD2 4.37Å; Q260-F262 HydrophobicContact CB-CE2 3.45Å; Q260-F262 VanDerWaalsContact CB-CE2 3.45Å; Q260-F262 HydrophobicContact CB-CZ 3.77Å; Q260-F262 HydrophobicContact CG-CE2 4.39Å; Q260-F262 HydrophobicContact CG-CZ 4.26Å
261C98.9Very high97Very high0 Ų039.7 Ų39.70%023%0.229CC..EExtended strand (participates in β ladder)trans-131.7134.6174.1179.90000110.2W97 I98 V99 S125 F126 F233W97-C261 VanDerWaalsContact CE2-SG 3.56Å; W97-C261 PolarHBondContact NE1-SG 3.5Å; W97-C261 VanDerWaalsContact NE1-SG 3.41Å; I98-C261 CarbonylContact O-C 3.57Å; I98-C261 VanDerWaalsContact O-CA 3.31Å; I98-C261 WeakPolarHBondContact O-CA 3.35Å; V99-C261 HydrophobicContact CG1-CB 4.11Å; S125-C261 WeakPolarHBondContact CA-O 3.4Å; F126-C261 HydrophobicContact CB-CB 4.19Å; F126-C261 HydrophobicContact CD2-CB 3.88Å; F126-C261 HydrophobicContact CG-CB 4.46Å; F126-C261 PolarHBondContact N-O 3.28Å; F126-C261 PolarHBondContact O-N 3.32Å; F233-C261 HydrophobicContact CB-CB 4.08Å
262F99Very high97.3Very high0 Ų042 Ų420%025%0.247CC..EExtended strand (participates in β ladder)trans-130.4127.5-178.8-56-87.1000108.9C82 M83 I98 Y106 Y112 M124 S125 Q260C82-F262 HydrophobicContact CB-CB 4.3Å; C82-F262 HydrophobicContact CB-CD2 3.23Å; C82-F262 HydrophobicContact CB-CE2 3.64Å; C82-F262 HydrophobicContact CB-CG 3.88Å; M83-F262 HydrophobicContact CB-CD1 4.42Å; M83-F262 HydrophobicContact CE-CB 3.95Å; M83-F262 HydrophobicContact CE-CD1 4.07Å; I98-F262 PolarHBondContact N-O 3.43Å; I98-F262 PolarHBondContact O-N 3.2Å; Y106-F262 HydrophobicContact CD2-CE1 4.26Å; Y106-F262 AromaticContact CD2-CZ 3.95Å; Y106-F262 HydrophobicContact CD2-CZ 3.95Å; Y106-F262 HydrophobicContact CE2-CE1 4.03Å; Y106-F262 AromaticContact CE2-CZ 3.95Å; Y106-F262 HydrophobicContact CE2-CZ 3.95Å; Y112-F262 HydrophobicContact CD1-CE1 4.16Å; Y112-F262 AromaticContact CD2-CE1 3.76Å; Y112-F262 HydrophobicContact CD2-CE1 3.76Å; Y112-F262 HydrophobicContact CE2-CE1 4.41Å; Y112-F262 HydrophobicContact CG-CD1 4.17Å; Y112-F262 AromaticContact CG-CE1 3.63Å; Y112-F262 HydrophobicContact CG-CE1 3.63Å; M124-F262 WeakPolarHBondContact O-CA 3.42Å; S125-F262 WeakPolarHBondContact OG-CE1 3.44Å; Q260-F262 HydrophobicContact CB-CD2 4.37Å; Q260-F262 HydrophobicContact CB-CE2 3.45Å; Q260-F262 VanDerWaalsContact CB-CE2 3.45Å; Q260-F262 HydrophobicContact CB-CZ 3.77Å; Q260-F262 HydrophobicContact CG-CE2 4.39Å; Q260-F262 HydrophobicContact CG-CZ 4.26Å
263V99Very high97.7Very high1 Ų143.8 Ų43.81%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-126.4133.7-178.7-167.70000109.3I95 G96 W97 G123 M124 F126 I265I95-V263 HydrophobicContact CD1-CG1 4.08Å; I95-V263 HydrophobicContact CG1-CG1 4.05Å; G96-V263 CarbonylContact O-C 3.19Å; G96-V263 WeakPolarHBondContact O-CA 3.47Å; W97-V263 HydrophobicContact CD2-CG2 3.77Å; W97-V263 HydrophobicContact CE3-CB 4.48Å; W97-V263 HydrophobicContact CE3-CG1 3.99Å; W97-V263 HydrophobicContact CE3-CG2 3.58Å; W97-V263 HydrophobicContact CG-CG2 4.3Å; W97-V263 HydrophobicContact CH2-CG2 4.38Å; W97-V263 HydrophobicContact CZ3-CG2 3.91Å; G123-V263 CarbonylContact C-O 3.14Å; G123-V263 WeakPolarHBondContact CA-O 3.43Å; M124-V263 HydrophobicContact CB-CB 4.01Å; M124-V263 HydrophobicContact CB-CG2 4.4Å; M124-V263 HydrophobicContact CG-CB 4.34Å; M124-V263 PolarHBondContact N-O 3.22Å; M124-V263 PolarHBondContact O-N 2.88Å; M124-V263 HydrophobicContact SD-CB 4.44Å; F126-V263 HydrophobicContact CE2-CG2 4.25Å; V263-I265 HydrophobicContact CG1-CD1 4.33Å; V263-I265 HydrophobicContact CG1-CG1 3.9Å
264A99Very high98.1Very high0 Ų042.9 Ų42.90%025%0.245CC..EExtended strand (participates in β ladder)trans-119.4138.7165.100000108.9M83 A86 I87 A90 I95 G96 A116 L121 L122M83-A264 HydrophobicContact SD-CB 4.49Å; A86-A264 HydrophobicContact CB-CB 3.9Å; I87-A264 HydrophobicContact CG1-CB 4.17Å; A90-A264 HydrophobicContact CB-CB 3.73Å; A90-A264 WeakPolarHBondContact CB-O 3.27Å; I95-A264 CarbonylContact C-O 3.58Å; I95-A264 WeakPolarHBondContact CA-O 3.19Å; I95-A264 WeakPolarHBondContact CG1-O 3.38Å; G96-A264 PolarHBondContact N-O 3.38Å; G96-A264 PolarHBondContact O-N 3.5Å; A116-A264 HydrophobicContact CB-CB 4.17Å; L121-A264 HydrophobicContact CD1-CB 4.19Å; L122-A264 CarbonylContact O-C 3.54Å; L122-A264 VanDerWaalsContact O-CA 3.28Å; L122-A264 WeakPolarHBondContact O-CA 3.19Å
265I98.9Very high98.2Very high33 Ų3339.5 Ų39.517%0.16923%0.234CC..EExtended strand (participates in β ladder)trans-130.7124.9-176.5-51.1170.5000107.8I95 L121 L122 M124 V263 P267 F270I95-I265 HydrophobicContact CD1-CG1 4.32Å; I95-I265 HydrophobicContact CG1-CG1 4.23Å; L121-I265 CarbonylContact C-O 3.44Å; L121-I265 WeakPolarHBondContact CA-O 3.46Å; L122-I265 HydrophobicContact CB-CB 4.18Å; L122-I265 PolarHBondContact N-O 3.38Å; L122-I265 PolarHBondContact O-N 2.92Å; M124-I265 HydrophobicContact SD-CD1 4.33Å; V263-I265 HydrophobicContact CG1-CD1 4.33Å; V263-I265 HydrophobicContact CG1-CG1 3.9Å; I265-P267 VanDerWaalsContact O-CD 3.25Å; I265-P267 WeakPolarHBondContact O-CD 3.35Å; I265-F270 HydrophobicContact CG2-CD2 4.42Å; I265-F270 HydrophobicContact CG2-CE2 3.53Å; I265-F270 HydrophobicContact CG2-CZ 4.22Å
266D98.8Very high98.3Very high31 Ų3141 Ų4117%0.16624%0.236CC..  trans-79.5111173.7-176-2.1000109.8G94 L121 N268 A269 F270G94-D266 PolarHBondContact O-N 3.26Å; L121-D266 HydrophobicContact CD2-CB 3.79Å; D266-N268 PolarHBondContact O-N 3.29Å; D266-N268 VanDerWaalsContact OD1-CB 3.31Å; D266-N268 WeakPolarHBondContact OD1-CB 3.2Å; D266-N268 PolarHBondContact OD1-N 2.88Å; D266-N268 PolarHBondContact OD1-ND2 2.92Å; D266-N268 VanDerWaalsContact OD1-ND2 3.14Å; D266-A269 HydrophobicContact CB-CB 4.44Å; D266-A269 WeakPolarHBondContact O-CB 3.46Å; D266-A269 PolarHBondContact O-N 3.03Å; D266-A269 VanDerWaalsContact O-N 3.13Å; D266-F270 WeakPolarHBondContact O-CD2 3.25Å
267P98.5Very high98.4Very high9 Ų948.9 Ų48.96%0.05827%0.265CS..G310 helixtrans-60.7-25.5177.724.8-32.7000112.7G120 L122 I265 A269 F270 F274G120-P267 WeakPolarHBondContact O-CD 3.03Å; G120-P267 WeakPolarHBondContact O-CG 3.34Å; L122-P267 HydrophobicContact CD1-CB 3.78Å; L122-P267 HydrophobicContact CD1-CG 4.01Å; I265-P267 VanDerWaalsContact O-CD 3.25Å; I265-P267 WeakPolarHBondContact O-CD 3.35Å; P267-A269 PolarHBondContact O-N 3.42Å; P267-F270 PolarHBondContact O-N 3.33Å; P267-F270 VanDerWaalsContact O-N 3.15Å; P267-F274 HydrophobicContact CB-CB 3.69Å; P267-F274 HydrophobicContact CB-CD1 3.78Å; P267-F274 HydrophobicContact CB-CD2 3.99Å; P267-F274 HydrophobicContact CB-CE1 4.47Å; P267-F274 HydrophobicContact CB-CG 3.52Å; P267-F274 HydrophobicContact CG-CD1 4.27Å; P267-F274 HydrophobicContact CG-CG 4.45Å
268N97.7Very high98.4Very high129 Ų12948.4 Ų48.469%0.6926%0.263SS*.G310 helixtrans-75.7-9.7-179.5-56.7-60000113.4D266 F270D266-N268 PolarHBondContact O-N 3.29Å; D266-N268 VanDerWaalsContact OD1-CB 3.31Å; D266-N268 WeakPolarHBondContact OD1-CB 3.2Å; D266-N268 PolarHBondContact OD1-N 2.88Å; D266-N268 PolarHBondContact OD1-ND2 2.92Å; D266-N268 VanDerWaalsContact OD1-ND2 3.14Å; N268-F270 PolarHBondContact O-N 3.36Å
269A98.2Very high98.4Very high55 Ų5548.9 Ų48.946%0.45527%0.265SS..G310 helixtrans-75.9-4.4168.900000112.9D266 P267D266-A269 HydrophobicContact CB-CB 4.44Å; D266-A269 WeakPolarHBondContact O-CB 3.46Å; D266-A269 PolarHBondContact O-N 3.03Å; D266-A269 VanDerWaalsContact O-N 3.13Å; P267-A269 PolarHBondContact O-N 3.42Å
270F97.8Very high98.4Very high145 Ų14553.6 Ų53.664%0.63629%0.29SS*.SBendtrans-124.3-127.9-175.8-55.6-84.8000111.9I265 D266 P267 N268I265-F270 HydrophobicContact CG2-CD2 4.42Å; I265-F270 HydrophobicContact CG2-CE2 3.53Å; I265-F270 HydrophobicContact CG2-CZ 4.22Å; D266-F270 WeakPolarHBondContact O-CD2 3.25Å; P267-F270 PolarHBondContact O-N 3.33Å; P267-F270 VanDerWaalsContact O-N 3.15Å; N268-F270 PolarHBondContact O-N 3.36Å
271A97.6Very high98.3Very high51 Ų5157.9 Ų57.942%0.42131%0.312SS..SBendtrans-80.7140.2-178.200000111.3
272P97.2Very high98.3Very high102 Ų10257.9 Ų57.966%0.66231%0.312SS*.SBendtrans-66.9163.1176.729.9-36000111.9F274P272-F274 VanDerWaalsContact C-N 3.33Å; P272-F274 PolarHBondContact O-N 3.04Å
273C97.4Very high98.3Very high76 Ų7660.6 Ų60.651%0.51433%0.327SS..  trans6037.6178.1-47.50000113.7A275 E276 R277C273-A275 PolarHBondContact O-N 3.1Å; C273-E276 WeakPolarHBondContact CA-OE2 3.11Å; C273-E276 HydrophobicContact CB-CB 4.39Å; C273-E276 WeakPolarHBondContact CB-OE2 3.17Å; C273-R277 VanDerWaalsContact O-CG 3.31Å; C273-R277 WeakPolarHBondContact O-CG 3.41Å; C273-R277 PolarHBondContact O-N 3.33Å; C273-R277 VanDerWaalsContact O-N 3.15Å
274F98.5Very high98.2Very high58 Ų5865.1 Ų65.125%0.25435%0.351SS..Hα-helixtrans-56.9-48179.8174.5-89000111.9L122 A152 P267 P272 E276 R277 M278L122-F274 HydrophobicContact CD1-CD1 4.39Å; L122-F274 HydrophobicContact CD1-CE1 3.8Å; L122-F274 HydrophobicContact CD1-CE2 4.08Å; L122-F274 HydrophobicContact CD1-CZ 3.63Å; L122-F274 HydrophobicContact CD2-CE2 4.19Å; L122-F274 HydrophobicContact CD2-CZ 3.86Å; L122-F274 HydrophobicContact CG-CE1 4.33Å; L122-F274 HydrophobicContact CG-CZ 3.92Å; A152-F274 HydrophobicContact CB-CE1 4.25Å; A152-F274 HydrophobicContact CB-CZ 4.11Å; P267-F274 HydrophobicContact CB-CB 3.69Å; P267-F274 HydrophobicContact CB-CD1 3.78Å; P267-F274 HydrophobicContact CB-CD2 3.99Å; P267-F274 HydrophobicContact CB-CE1 4.47Å; P267-F274 HydrophobicContact CB-CG 3.52Å; P267-F274 HydrophobicContact CG-CD1 4.27Å; P267-F274 HydrophobicContact CG-CG 4.45Å; P272-F274 VanDerWaalsContact C-N 3.33Å; P272-F274 PolarHBondContact O-N 3.04Å; F274-E276 VanDerWaalsContact C-N 3.34Å; F274-E276 PolarHBondContact O-N 3.04Å; F274-R277 PolarHBondContact O-N 3.43Å; F274-M278 HydrophobicContact CE1-CB 4.23Å; F274-M278 HydrophobicContact CE1-CG 4.46Å; F274-M278 HydrophobicContact CZ-SD 4.45Å; F274-M278 WeakPolarHBondContact O-CB 3.46Å; F274-M278 PolarHBondContact O-N 3.39Å
275A98.2Very high98.2Very high27 Ų2768.8 Ų68.822%0.22337%0.37CS..Hα-helixtrans-64.1-39.1-174.500000112.2I155 C273 M278 Q279I155-A275 HydrophobicContact CG2-CB 3.95Å; C273-A275 PolarHBondContact O-N 3.1Å; A275-M278 PolarHBondContact O-N 3.43Å; A275-Q279 PolarHBondContact O-N 2.74Å
276E98.5Very high98.1Very high100 Ų10070.2 Ų70.247%0.46737%0.373SS..Hα-helixtrans-65.3-46176.4-64.378.8-178.900110.9I155 C273 F274 M278 Q279 D280I155-E276 HydrophobicContact CG2-CG 4.07Å; C273-E276 WeakPolarHBondContact CA-OE2 3.11Å; C273-E276 HydrophobicContact CB-CB 4.39Å; C273-E276 WeakPolarHBondContact CB-OE2 3.17Å; F274-E276 VanDerWaalsContact C-N 3.34Å; F274-E276 PolarHBondContact O-N 3.04Å; E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 2.76Å; E276-Q279 WeakPolarHBondContact O-CB 3.39Å; E276-Q279 PolarHBondContact O-N 3.09Å; E276-D280 WeakPolarHBondContact O-CB 3.2Å; E276-D280 PolarHBondContact O-N 3.42Å
277R98.2Very high98.1Very high169 Ų16975.8 Ų75.864%0.63840%0.398SS*.Hα-helixtrans-67.2-35.3177.7-68.217765156.33.5112.6C273 F274 D280 L281C273-R277 VanDerWaalsContact O-CG 3.31Å; C273-R277 WeakPolarHBondContact O-CG 3.41Å; C273-R277 PolarHBondContact O-N 3.33Å; C273-R277 VanDerWaalsContact O-N 3.15Å; F274-R277 PolarHBondContact O-N 3.43Å; R277-D280 PolarHBondContact O-N 3.31Å; R277-L281 PolarHBondContact O-N 2.75Å; R277-L281 VanDerWaalsContact O-N 3.1Å
278M98.5Very high98Very high25 Ų2578 Ų7812%0.12341%0.414CS..Hα-helixtrans-64.2-43.9173.2-171.666-111.600110.2A152 A154 F160 F274 A275 E276 L281 M282A152-M278 HydrophobicContact CB-SD 4.36Å; A154-M278 HydrophobicContact CB-CB 4.26Å; A154-M278 HydrophobicContact CB-CG 4.17Å; F160-M278 HydrophobicContact CB-CE 3.97Å; F160-M278 HydrophobicContact CB-SD 4.36Å; F160-M278 HydrophobicContact CD2-CE 4.42Å; F160-M278 HydrophobicContact CG-CE 4.42Å; F274-M278 HydrophobicContact CE1-CB 4.23Å; F274-M278 HydrophobicContact CE1-CG 4.46Å; F274-M278 HydrophobicContact CZ-SD 4.45Å; F274-M278 WeakPolarHBondContact O-CB 3.46Å; F274-M278 PolarHBondContact O-N 3.39Å; A275-M278 PolarHBondContact O-N 3.43Å; E276-M278 VanDerWaalsContact C-N 3.34Å; E276-M278 PolarHBondContact O-N 2.76Å; M278-L281 HydrophobicContact CE-CB 4.48Å; M278-L281 HydrophobicContact CE-CD2 3.91Å; M278-L281 HydrophobicContact CE-CG 4.4Å; M278-L281 PolarHBondContact O-N 2.59Å; M278-M282 HydrophobicContact CE-CG 3.53Å; M278-M282 HydrophobicContact CE-SD 4.12Å; M278-M282 HydrophobicContact CG-CE 4.44Å; M278-M282 VanDerWaalsContact O-CG 3.32Å; M278-M282 WeakPolarHBondContact O-CG 3Å; M278-M282 PolarHBondContact O-N 3.15Å
279Q98.6Very high97.8Very high16 Ų1681.5 Ų81.58%0.07542%0.423CS..Hα-helixtrans-62.2-44.4175.6-170.66755.900112.3A154 I155 D158 A275 E276 L281 M282 N283A154-Q279 HydrophobicContact CB-CB 4.22Å; I155-Q279 HydrophobicContact CD1-CB 4.1Å; I155-Q279 HydrophobicContact CD1-CG 3.9Å; I155-Q279 HydrophobicContact CG1-CB 3.76Å; I155-Q279 HydrophobicContact CG1-CG 3.62Å; I155-Q279 PolarHBondContact O-OE1 3.03Å; D158-Q279 PolarHBondContact OD2-NE2 3.11Å; D158-Q279 PolarHBondContact OD2-OE1 2.82Å; A275-Q279 PolarHBondContact O-N 2.74Å; E276-Q279 WeakPolarHBondContact O-CB 3.39Å; E276-Q279 PolarHBondContact O-N 3.09Å; Q279-L281 PolarHBondContact O-N 2.83Å; Q279-M282 PolarHBondContact O-N 3.2Å; Q279-N283 PolarHBondContact NE2-OD1 3.15Å; Q279-N283 WeakPolarHBondContact O-CB 3.39Å; Q279-N283 PolarHBondContact O-N 3.41Å; Q279-N283 PolarHBondContact O-OD1 3.1Å
280D98.4Very high97.7Very high99 Ų9981.8 Ų81.853%0.52942%0.422SS..Hα-helixtrans-55.2-51.7178.3-166.947.3000110.8E276 R277 M282 N283 D284E276-D280 WeakPolarHBondContact O-CB 3.2Å; E276-D280 PolarHBondContact O-N 3.42Å; R277-D280 PolarHBondContact O-N 3.31Å; D280-M282 PolarHBondContact O-N 3.09Å; D280-N283 PolarHBondContact O-N 3.37Å; D280-N283 VanDerWaalsContact O-N 3.17Å; D280-D284 PolarHBondContact O-N 3.45Å
281L98.4Very high97.7Very high90 Ų9082.7 Ų82.747%0.47143%0.434SS..Hα-helixtrans-56.9-45.8174.6174.462.4000112.7R277 M278 Q279 N283 D284 L285R277-L281 PolarHBondContact O-N 2.75Å; R277-L281 VanDerWaalsContact O-N 3.1Å; M278-L281 HydrophobicContact CE-CB 4.48Å; M278-L281 HydrophobicContact CE-CD2 3.91Å; M278-L281 HydrophobicContact CE-CG 4.4Å; M278-L281 PolarHBondContact O-N 2.59Å; Q279-L281 PolarHBondContact O-N 2.83Å; L281-N283 VanDerWaalsContact C-N 3.31Å; L281-N283 PolarHBondContact O-N 3.26Å; L281-D284 PolarHBondContact O-N 2.7Å; L281-L285 HydrophobicContact CD1-CD1 4.25Å; L281-L285 HydrophobicContact CD1-CG 4.32Å; L281-L285 HydrophobicContact CG-CD1 4.27Å; L281-L285 VanDerWaalsContact O-CG 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.47Å; L281-L285 PolarHBondContact O-N 3.34Å
282M98.4Very high97.6Very high0 Ų088 Ų880%045%0.447CS..Hα-helixtrans-66.3-35.9-180-67.4-168.1-61.700112.2A154 D158 F160 M278 Q279 D280 R286 V296A154-M282 HydrophobicContact CB-CE 3.32Å; D158-M282 HydrophobicContact CB-CE 4.23Å; D158-M282 WeakPolarHBondContact OD2-CE 3.2Å; F160-M282 HydrophobicContact CB-SD 4.04Å; M278-M282 HydrophobicContact CE-CG 3.53Å; M278-M282 HydrophobicContact CE-SD 4.12Å; M278-M282 HydrophobicContact CG-CE 4.44Å; M278-M282 VanDerWaalsContact O-CG 3.32Å; M278-M282 WeakPolarHBondContact O-CG 3Å; M278-M282 PolarHBondContact O-N 3.15Å; Q279-M282 PolarHBondContact O-N 3.2Å; D280-M282 PolarHBondContact O-N 3.09Å; M282-R286 WeakPolarHBondContact O-CB 3.31Å; M282-R286 VanDerWaalsContact O-CG 3.27Å; M282-R286 WeakPolarHBondContact O-CG 3.33Å; M282-R286 PolarHBondContact O-N 3.16Å; M282-V296 HydrophobicContact CB-CG2 4.16Å; M282-V296 HydrophobicContact CG-CG1 3.88Å; M282-V296 HydrophobicContact CG-CG2 4.34Å; M282-V296 HydrophobicContact SD-CG1 3.9Å
283N98.1Very high97.4Very high56 Ų5688.5 Ų88.530%0.29945%0.451SS..Hα-helixtrans-66.4-48176.1-70.5-12000110.7Q279 D280 L281 L285 R286 Q287Q279-N283 PolarHBondContact NE2-OD1 3.15Å; Q279-N283 WeakPolarHBondContact O-CB 3.39Å; Q279-N283 PolarHBondContact O-N 3.41Å; Q279-N283 PolarHBondContact O-OD1 3.1Å; D280-N283 PolarHBondContact O-N 3.37Å; D280-N283 VanDerWaalsContact O-N 3.17Å; L281-N283 VanDerWaalsContact C-N 3.31Å; L281-N283 PolarHBondContact O-N 3.26Å; N283-L285 VanDerWaalsContact C-N 3.28Å; N283-L285 PolarHBondContact O-N 2.85Å; N283-R286 PolarHBondContact O-N 2.89Å; N283-Q287 VanDerWaalsContact O-CB 3.27Å; N283-Q287 WeakPolarHBondContact O-CB 3.36Å; N283-Q287 WeakPolarHBondContact O-CG 3.29Å; N283-Q287 PolarHBondContact O-N 2.91Å
284D98.2Very high97.5Very high97 Ų9787 Ų8752%0.51944%0.439SS..Hα-helixtrans-54.9-44.8176.3-81-8.9000111.7D280 L281 Q287 S288D280-D284 PolarHBondContact O-N 3.45Å; L281-D284 PolarHBondContact O-N 2.7Å; D284-Q287 PolarHBondContact O-N 3.38Å; D284-S288 PolarHBondContact O-N 3.33Å; D284-S288 VanDerWaalsContact O-N 3.11Å
285L98.1Very high97.4Very high76 Ų7689.3 Ų89.340%0.39845%0.454SS..Hα-helixtrans-61.6-51.4176.6-69.9172.2000111.6L281 N283 Q287 S288 V294 V296L281-L285 HydrophobicContact CD1-CD1 4.25Å; L281-L285 HydrophobicContact CD1-CG 4.32Å; L281-L285 HydrophobicContact CG-CD1 4.27Å; L281-L285 VanDerWaalsContact O-CG 3.28Å; L281-L285 WeakPolarHBondContact O-CG 3.47Å; L281-L285 PolarHBondContact O-N 3.34Å; N283-L285 VanDerWaalsContact C-N 3.28Å; N283-L285 PolarHBondContact O-N 2.85Å; L285-Q287 VanDerWaalsContact C-N 3.28Å; L285-Q287 PolarHBondContact O-N 2.81Å; L285-S288 WeakPolarHBondContact O-CB 3.48Å; L285-S288 PolarHBondContact O-N 2.51Å; L285-S288 PolarHBondContact O-OG 2.8Å; L285-V294 WeakPolarHBondContact O-CB 3.14Å; L285-V294 WeakPolarHBondContact O-CG1 3.45Å; L285-V296 HydrophobicContact CB-CG2 3.87Å; L285-V296 HydrophobicContact CD1-CG2 4.03Å
286R97.7Very high97.4Very high63 Ų6388.4 Ų88.424%0.23845%0.445CS..Hα-helixtrans-66.1-29.2-178.3-69.6172.9-175.8138.4-9.9113.3D158 M282 N283 V294 V296 D299D158-R286 IonicContact OD1-NH2 3.98Å; D158-R286 PolarHBondContact OD1-NH2 2.87Å; D158-R286 IonicContact OD2-CZ 3.44Å; D158-R286 IonicContact OD2-NH1 2.7Å; D158-R286 PolarHBondContact OD2-NH1 3.17Å; D158-R286 IonicContact OD2-NH2 3.48Å; D158-R286 PolarHBondContact OD2-NH2 2.82Å; M282-R286 WeakPolarHBondContact O-CB 3.31Å; M282-R286 VanDerWaalsContact O-CG 3.27Å; M282-R286 WeakPolarHBondContact O-CG 3.33Å; M282-R286 PolarHBondContact O-N 3.16Å; N283-R286 PolarHBondContact O-N 2.89Å; R286-V294 WeakPolarHBondContact CA-O 3.25Å; R286-V296 HydrophobicContact CG-CG2 3.85Å; R286-D299 IonicContact CZ-OD1 3.51Å; R286-D299 IonicContact CZ-OD2 3.68Å; R286-D299 IonicContact NE-OD1 3.85Å; R286-D299 PolarHBondContact NE-OD1 3.22Å; R286-D299 IonicContact NE-OD2 2.79Å; R286-D299 PolarHBondContact NE-OD2 3.22Å; R286-D299 IonicContact NH2-OD1 2.82Å; R286-D299 PolarHBondContact NH2-OD1 2.93Å; R286-D299 IonicContact NH2-OD2 2.75Å
287Q97.1Very high97.4Very high148 Ų14885 Ų8569%0.69243%0.434SS*.Hα-helixtrans-89.1-5.7-179.5-67.5174.511.900113.4N283 D284 L285N283-Q287 VanDerWaalsContact O-CB 3.27Å; N283-Q287 WeakPolarHBondContact O-CB 3.36Å; N283-Q287 WeakPolarHBondContact O-CG 3.29Å; N283-Q287 PolarHBondContact O-N 2.91Å; D284-Q287 PolarHBondContact O-N 3.38Å; L285-Q287 VanDerWaalsContact C-N 3.28Å; L285-Q287 PolarHBondContact O-N 2.81Å
288S96.6Very high97.4Very high56 Ų5676.9 Ų76.939%0.39240%0.403SS..SBendtrans-58.5139.4176.165.20000111.9D284 L285 S290 V294D284-S288 PolarHBondContact O-N 3.33Å; D284-S288 VanDerWaalsContact O-N 3.11Å; L285-S288 WeakPolarHBondContact O-CB 3.48Å; L285-S288 PolarHBondContact O-N 2.51Å; L285-S288 PolarHBondContact O-OG 2.8Å; S288-S290 PolarHBondContact O-N 3.21Å; S288-V294 VanDerWaalsContact OG-CG2 3.32Å; S288-V294 WeakPolarHBondContact OG-CG2 3.27Å
289F94.9Very high97.4Very high202 Ų20276.9 Ų76.989%0.88640%0.404SS*.  trans-64.1124.3-176177.2-94.6000111.3
290S96Very high97.4Very high62 Ų6279.2 Ų79.243%0.43442%0.42SS..  trans-163.2150.7-178.6169.80000110.6S288 K292S288-S290 PolarHBondContact O-N 3.21Å; S290-K292 WeakPolarHBondContact CB-O 3.35Å; S290-K292 PolarHBondContact O-N 3.13Å; S290-K292 PolarHBondContact OG-N 3.29Å; S290-K292 PolarHBondContact OG-O 3.47Å
291D96.9Very high97.4Very high164 Ų16476 Ų7688%0.87740%0.402SS*.SBendtrans-67.2-19.8174.1-64.1-34.8000112.8
292K95.2Very high97.4Very high162 Ų16274.1 Ų74.170%0.70439%0.389SS*.SBendtrans-127.5149176.1-65.3-177.3-177.2177.80110.2S290 V294S290-K292 WeakPolarHBondContact CB-O 3.35Å; S290-K292 PolarHBondContact O-N 3.13Å; S290-K292 PolarHBondContact OG-N 3.29Å; S290-K292 PolarHBondContact OG-O 3.47Å; K292-V294 PolarHBondContact O-N 3.27Å
293P94.5Very high97.4Very high113 Ų11377 Ų7773%0.73441%0.413SS*.  trans-52.7125.4176.8-26.234.3000111.6L295P293-L295 HydrophobicContact CB-CD2 4.31Å
294V97.8Very high97.4Very high45 Ų4576.1 Ų76.127%0.27341%0.407SS..  trans-76.5127.7171177.40000107.9L285 R286 S288 K292L285-V294 WeakPolarHBondContact O-CB 3.14Å; L285-V294 WeakPolarHBondContact O-CG1 3.45Å; R286-V294 WeakPolarHBondContact CA-O 3.25Å; S288-V294 VanDerWaalsContact OG-CG2 3.32Å; S288-V294 WeakPolarHBondContact OG-CG2 3.27Å; K292-V294 PolarHBondContact O-N 3.27Å
295L97.8Very high97.4Very high106 Ų10673.9 Ų73.956%0.55539%0.394SS*.  trans-106.7143.4-174.3-57.4-177.6000110.3P293 D299 P300P293-L295 HydrophobicContact CB-CD2 4.31Å; L295-D299 HydrophobicContact CB-CB 4.19Å; L295-D299 HydrophobicContact CD2-CB 4.21Å; L295-P300 HydrophobicContact CD1-CG 4.01Å
296V98.3Very high97.4Very high7 Ų777.6 Ų77.64%0.04241%0.407CS..  trans-94.9152.2169175.20000109.1F160 M282 L285 R286 G298 D299F160-V296 HydrophobicContact CD2-CG1 3.63Å; F160-V296 HydrophobicContact CE2-CG1 4.23Å; M282-V296 HydrophobicContact CB-CG2 4.16Å; M282-V296 HydrophobicContact CG-CG1 3.88Å; M282-V296 HydrophobicContact CG-CG2 4.34Å; M282-V296 HydrophobicContact SD-CG1 3.9Å; L285-V296 HydrophobicContact CB-CG2 3.87Å; L285-V296 HydrophobicContact CD1-CG2 4.03Å; R286-V296 HydrophobicContact CG-CG2 3.85Å; V296-G298 PolarHBondContact O-N 2.85Å; V296-D299 PolarHBondContact N-OD2 2.77Å; V296-D299 VanDerWaalsContact O-CB 3.28Å; V296-D299 WeakPolarHBondContact O-CB 3.49Å; V296-D299 PolarHBondContact O-N 2.93Å
297A98.4Very high97.4Very high28 Ų2880.4 Ų80.423%0.23142%0.418CS..THydrogen-bonded Turntrans-53.1125.8174.900000110.8F160 V161 L162F160-A297 HydrophobicContact CD2-CB 4.03Å; F160-A297 HydrophobicContact CE1-CB 4.34Å; F160-A297 HydrophobicContact CE2-CB 3.53Å; F160-A297 HydrophobicContact CZ-CB 3.7Å; V161-A297 PolarHBondContact N-O 3.38Å; V161-A297 CarbonylContact O-C 3.44Å; V161-A297 WeakPolarHBondContact O-CB 3.49Å; L162-A297 HydrophobicContact CB-CB 4.07Å; L162-A297 HydrophobicContact CD1-CB 4.17Å
298G98.3Very high97.5Very high0 Ų073.5 Ų73.50%039%0.386CS..THydrogen-bonded Turntrans103.1-21-173.600000114.4V161 V296 E301 R302V161-G298 PolarHBondContact O-N 2.96Å; V296-G298 PolarHBondContact O-N 2.85Å; G298-E301 VanDerWaalsContact C-OE2 3.28Å; G298-E301 WeakPolarHBondContact CA-OE2 3.4Å; G298-E301 PolarHBondContact N-OE2 2.81Å; G298-R302 WeakPolarHBondContact O-CB 3.5Å; G298-R302 WeakPolarHBondContact O-CG 3.18Å; G298-R302 PolarHBondContact O-N 3.23Å
299D98.3Very high97.6Very high25 Ų2575.4 Ų75.413%0.13439%0.392CS..Hα-helixtrans-64.1-48.2179.5-71.8-19000113.3R286 L295 V296 E301 R302 A303R286-D299 IonicContact CZ-OD1 3.51Å; R286-D299 IonicContact CZ-OD2 3.68Å; R286-D299 IonicContact NE-OD1 3.85Å; R286-D299 PolarHBondContact NE-OD1 3.22Å; R286-D299 IonicContact NE-OD2 2.79Å; R286-D299 PolarHBondContact NE-OD2 3.22Å; R286-D299 IonicContact NH2-OD1 2.82Å; R286-D299 PolarHBondContact NH2-OD1 2.93Å; R286-D299 IonicContact NH2-OD2 2.75Å; L295-D299 HydrophobicContact CB-CB 4.19Å; L295-D299 HydrophobicContact CD2-CB 4.21Å; V296-D299 PolarHBondContact N-OD2 2.77Å; V296-D299 VanDerWaalsContact O-CB 3.28Å; V296-D299 WeakPolarHBondContact O-CB 3.49Å; V296-D299 PolarHBondContact O-N 2.93Å; D299-E301 VanDerWaalsContact C-N 3.27Å; D299-E301 PolarHBondContact O-N 3.5Å; D299-R302 PolarHBondContact O-N 2.95Å; D299-R302 IonicContact OD1-CZ 2.9Å; D299-R302 IonicContact OD1-NE 3.74Å; D299-R302 IonicContact OD1-NH2 3.54Å; D299-R302 PolarHBondContact OD1-NH2 2.9Å; D299-A303 PolarHBondContact O-N 3.38Å
300P98Very high97.7Very high65 Ų6570 Ų7042%0.42238%0.38SS..Hα-helixtrans-57-42.4178.6-23.933.9000112.3L295 A303 H304L295-P300 HydrophobicContact CD1-CG 4.01Å; P300-A303 PolarHBondContact O-N 3.12Å; P300-H304 PolarHBondContact O-N 3.37Å
301E98.4Very high97.8Very high31 Ų3171.4 Ų71.415%0.14538%0.382CS..Hα-helixtrans-76-35.3-177.4-58.677.3-162.300111.9R28 H30 G298 D299 A303 H304 M305R28-E301 HydrophobicContact CB-CB 4Å; R28-E301 HydrophobicContact CB-CG 4.19Å; R28-E301 HydrophobicContact CG-CB 4.45Å; R28-E301 VanDerWaalsContact NH2-CG 3.3Å; R28-E301 IonicContact NH2-OE2 3.45Å; R28-E301 WeakPolarHBondContact O-CB 3.32Å; R28-E301 VanDerWaalsContact O-CG 3.3Å; R28-E301 WeakPolarHBondContact O-CG 3.41Å; H30-E301 IonicContact CE1-OE1 3.21Å; H30-E301 PolarHBondContact CE1-OE1 3.2Å; H30-E301 WeakPolarHBondContact NE2-CG 3.32Å; H30-E301 IonicContact NE2-OE1 2.84Å; G298-E301 VanDerWaalsContact C-OE2 3.28Å; G298-E301 WeakPolarHBondContact CA-OE2 3.4Å; G298-E301 PolarHBondContact N-OE2 2.81Å; D299-E301 VanDerWaalsContact C-N 3.27Å; D299-E301 PolarHBondContact O-N 3.5Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 3.28Å; E301-H304 WeakPolarHBondContact O-CB 3.15Å; E301-H304 PolarHBondContact O-N 3.07Å; E301-M305 VanDerWaalsContact O-CG 3.23Å; E301-M305 WeakPolarHBondContact O-CG 3.34Å; E301-M305 PolarHBondContact O-N 2.98Å
302R98Very high97.9Very high51 Ų5167.1 Ų67.119%0.19238%0.376CS..Hα-helixtrans-60.8-40170.6-83.4-173.9-73.5-95.41.2111.6D158 S159 G298 D299 H304 M305 K306D158-R302 IonicContact OD1-CZ 3.51Å; D158-R302 IonicContact OD1-NE 3.5Å; D158-R302 IonicContact OD1-NH1 3.58Å; D158-R302 IonicContact OD1-NH2 2.7Å; S159-R302 PolarHBondContact O-NH1 3.27Å; S159-R302 PolarHBondContact O-NH2 3.39Å; S159-R302 VanDerWaalsContact O-NH2 3.08Å; S159-R302 PolarHBondContact OG-NH1 3.42Å; G298-R302 WeakPolarHBondContact O-CB 3.5Å; G298-R302 WeakPolarHBondContact O-CG 3.18Å; G298-R302 PolarHBondContact O-N 3.23Å; D299-R302 PolarHBondContact O-N 2.95Å; D299-R302 IonicContact OD1-CZ 2.9Å; D299-R302 IonicContact OD1-NE 3.74Å; D299-R302 IonicContact OD1-NH2 3.54Å; D299-R302 PolarHBondContact OD1-NH2 2.9Å; R302-H304 VanDerWaalsContact C-N 3.34Å; R302-M305 PolarHBondContact O-N 3.36Å; R302-K306 WeakPolarHBondContact O-CG 3.29Å; R302-K306 PolarHBondContact O-N 2.96Å; R302-K306 VanDerWaalsContact O-N 3.12Å
303A98Very high97.9Very high61 Ų6161.1 Ų61.150%0.50436%0.36SS..Hα-helixtrans-63.9-41.2174.300000111.3D299 P300 E301 K306 Y307D299-A303 PolarHBondContact O-N 3.38Å; P300-A303 PolarHBondContact O-N 3.12Å; E301-A303 VanDerWaalsContact C-N 3.29Å; E301-A303 PolarHBondContact O-N 3.28Å; A303-K306 PolarHBondContact O-N 3.45Å; A303-Y307 PolarHBondContact O-N 3.07Å
304H98.3Very high98Very high37 Ų3758 Ų5817%0.17134%0.337CS..Hα-helixtrans-65.1-39.8175.9-170.8-84.3000113.1D26 Y27 G29 Y31 P300 E301 R302 Y307 C308D26-H304 PolarHBondContact O-CE1 3.09Å; D26-H304 VanDerWaalsContact O-CE1 3.22Å; Y27-H304 PolarHBondContact O-ND1 2.85Å; G29-H304 VanDerWaalsContact CA-CE1 3.43Å; G29-H304 WeakPolarHBondContact CA-CE1 3.05Å; G29-H304 WeakPolarHBondContact CA-ND1 3.24Å; G29-H304 PolarHBondContact N-CE1 2.72Å; G29-H304 PolarHBondContact N-ND1 2.93Å; G29-H304 VanDerWaalsContact N-ND1 3.14Å; Y31-H304 AromaticContact CE2-NE2 3.63Å; Y31-H304 AromaticContact CZ-CE1 3.94Å; Y31-H304 AromaticContact CZ-NE2 3.81Å; Y31-H304 PolarHBondContact OH-CE1 2.91Å; Y31-H304 PolarHBondContact OH-NE2 3.29Å; P300-H304 PolarHBondContact O-N 3.37Å; E301-H304 WeakPolarHBondContact O-CB 3.15Å; E301-H304 PolarHBondContact O-N 3.07Å; R302-H304 VanDerWaalsContact C-N 3.34Å; H304-Y307 WeakPolarHBondContact O-CB 3.26Å; H304-Y307 PolarHBondContact O-N 2.76Å; H304-C308 PolarHBondContact CE1-SG 2.9Å; H304-C308 PolarHBondContact O-N 2.9Å; H304-C308 PolarHBondContact O-SG 3.19Å; H304-C308 VanDerWaalsContact O-SG 3.36Å
305M98.4Very high97.8Very high49 Ų4957.8 Ų57.824%0.24134%0.336CS..Hα-helixtrans-60.5-49.1175.3-71.1164.969.500111Y27 R28 E301 R302 Y307 C308 D309Y27-M305 HydrophobicContact CD1-CB 4.45Å; Y27-M305 HydrophobicContact CD1-CE 3.97Å; Y27-M305 HydrophobicContact CD1-CG 3.74Å; Y27-M305 HydrophobicContact CD1-SD 4.46Å; Y27-M305 HydrophobicContact CD2-CB 4.38Å; Y27-M305 HydrophobicContact CD2-CG 4.24Å; Y27-M305 HydrophobicContact CE1-CB 3.93Å; Y27-M305 HydrophobicContact CE1-CE 3.3Å; Y27-M305 HydrophobicContact CE1-CG 3.61Å; Y27-M305 HydrophobicContact CE1-SD 4.22Å; Y27-M305 HydrophobicContact CE2-CB 3.84Å; Y27-M305 HydrophobicContact CE2-CG 4.12Å; Y27-M305 WeakPolarHBondContact CE2-O 3.47Å; Y27-M305 HydrophobicContact CG-CG 4.05Å; Y27-M305 WeakPolarHBondContact O-CG 3.43Å; R28-M305 HydrophobicContact CG-CG 4.11Å; R28-M305 HydrophobicContact CG-SD 3.91Å; R28-M305 PolarHBondContact NH1-SD 2.85Å; E301-M305 VanDerWaalsContact O-CG 3.23Å; E301-M305 WeakPolarHBondContact O-CG 3.34Å; E301-M305 PolarHBondContact O-N 2.98Å; R302-M305 PolarHBondContact O-N 3.36Å; M305-Y307 PolarHBondContact O-N 2.91Å; M305-C308 WeakPolarHBondContact O-CB 3.33Å; M305-C308 PolarHBondContact O-N 3.35Å; M305-C308 VanDerWaalsContact O-N 3.12Å; M305-D309 PolarHBondContact O-N 3.3Å
306K98.3Very high97.3Very high154 Ų15455.6 Ų55.667%0.6732%0.321SS*.Hα-helixtrans-57.7-36.8174.5-70.7176.4-178.3-179.70112.3R302 A303 D309 S310R302-K306 WeakPolarHBondContact O-CG 3.29Å; R302-K306 PolarHBondContact O-N 2.96Å; R302-K306 VanDerWaalsContact O-N 3.12Å; A303-K306 PolarHBondContact O-N 3.45Å; K306-D309 PolarHBondContact O-N 3.29Å; K306-S310 WeakPolarHBondContact O-CB 3.43Å; K306-S310 PolarHBondContact O-N 3.11Å
307Y98.4Very high96.6Very high122 Ų12259.9 Ų59.948%0.47834%0.34SS..Hα-helixtrans-65.7-47.7175.3175.1-121.5000111.7A303 H304 M305 D309 S310 L311 P315A303-Y307 PolarHBondContact O-N 3.07Å; H304-Y307 WeakPolarHBondContact O-CB 3.26Å; H304-Y307 PolarHBondContact O-N 2.76Å; M305-Y307 PolarHBondContact O-N 2.91Å; Y307-D309 VanDerWaalsContact C-N 3.31Å; Y307-D309 PolarHBondContact O-N 2.76Å; Y307-S310 PolarHBondContact O-N 3.33Å; Y307-S310 PolarHBondContact O-OG 3.29Å; Y307-L311 HydrophobicContact CD1-CD1 4.39Å; Y307-L311 HydrophobicContact CD2-CD1 4.43Å; Y307-L311 HydrophobicContact CD2-CG 4.44Å; Y307-L311 HydrophobicContact CE1-CD1 3.87Å; Y307-L311 HydrophobicContact CE2-CD1 3.89Å; Y307-L311 HydrophobicContact CE2-CD2 4.26Å; Y307-L311 HydrophobicContact CE2-CG 4.07Å; Y307-L311 WeakPolarHBondContact O-CG 3.18Å; Y307-L311 PolarHBondContact O-N 2.88Å; Y307-L311 VanDerWaalsContact O-N 3.17Å; Y307-P315 HydrophobicContact CD1-CG 4.3Å; Y307-P315 HydrophobicContact CE1-CG 3.69Å
308C98.5Very high95.8Very high3 Ų361.5 Ų61.52%0.0235%0.353CS..Hα-helixtrans-57.2-44.3173.6-65.30000112Y27 H304 M305 S310 L311 G312 G313Y27-C308 HydrophobicContact CD2-CB 3.58Å; Y27-C308 HydrophobicContact CE2-CB 3.69Å; H304-C308 PolarHBondContact CE1-SG 2.9Å; H304-C308 PolarHBondContact O-N 2.9Å; H304-C308 PolarHBondContact O-SG 3.19Å; H304-C308 VanDerWaalsContact O-SG 3.36Å; M305-C308 WeakPolarHBondContact O-CB 3.33Å; M305-C308 PolarHBondContact O-N 3.35Å; M305-C308 VanDerWaalsContact O-N 3.12Å; C308-S310 VanDerWaalsContact C-N 3.31Å; C308-S310 PolarHBondContact O-N 3.17Å; C308-L311 PolarHBondContact O-N 3.03Å; C308-L311 VanDerWaalsContact O-N 3.13Å; C308-G312 PolarHBondContact O-N 2.89Å; C308-G313 WeakPolarHBondContact CA-O 3.45Å; C308-G313 PolarHBondContact O-N 2.62Å; C308-G313 VanDerWaalsContact O-N 3.13Å; C308-G313 VanDerWaalsContact O-O 3.11Å
309D98.4Very high94.8Very high96 Ų9665.4 Ų65.451%0.51337%0.374SS..Hα-helixtrans-60.3-42.1177.9-62.4-23.3000111.3Y27 M305 K306 Y307 L311 G312Y27-D309 WeakPolarHBondContact CE2-OD1 3.43Å; Y27-D309 PolarHBondContact OH-OD1 2.89Å; Y27-D309 PolarHBondContact OH-OD2 3.4Å; M305-D309 PolarHBondContact O-N 3.3Å; K306-D309 PolarHBondContact O-N 3.29Å; Y307-D309 VanDerWaalsContact C-N 3.31Å; Y307-D309 PolarHBondContact O-N 2.76Å; D309-L311 PolarHBondContact O-N 2.79Å; D309-G312 PolarHBondContact O-N 3.46Å; D309-G312 VanDerWaalsContact O-N 3.09Å
310S98.3Very high93.6Very high90 Ų9065.1 Ų65.163%0.62937%0.372SS*.Hα-helixtrans-65.1-26.217876.80000113.8K306 Y307 C308K306-S310 WeakPolarHBondContact O-CB 3.43Å; K306-S310 PolarHBondContact O-N 3.11Å; Y307-S310 PolarHBondContact O-N 3.33Å; Y307-S310 PolarHBondContact O-OG 3.29Å; C308-S310 VanDerWaalsContact C-N 3.31Å; C308-S310 PolarHBondContact O-N 3.17Å
311L97.6Very high92.6Very high91 Ų9165.9 Ų65.948%0.47637%0.372SS..Hα-helixtrans-86.6-15.7175-65.5178000112.9Y307 C308 D309 G313 P315Y307-L311 HydrophobicContact CD1-CD1 4.39Å; Y307-L311 HydrophobicContact CD2-CD1 4.43Å; Y307-L311 HydrophobicContact CD2-CG 4.44Å; Y307-L311 HydrophobicContact CE1-CD1 3.87Å; Y307-L311 HydrophobicContact CE2-CD1 3.89Å; Y307-L311 HydrophobicContact CE2-CD2 4.26Å; Y307-L311 HydrophobicContact CE2-CG 4.07Å; Y307-L311 WeakPolarHBondContact O-CG 3.18Å; Y307-L311 PolarHBondContact O-N 2.88Å; Y307-L311 VanDerWaalsContact O-N 3.17Å; C308-L311 PolarHBondContact O-N 3.03Å; C308-L311 VanDerWaalsContact O-N 3.13Å; D309-L311 PolarHBondContact O-N 2.79Å; L311-G313 PolarHBondContact O-N 3.28Å; L311-P315 HydrophobicContact CD1-CB 4.04Å; L311-P315 HydrophobicContact CD1-CG 3.84Å
312G97.5Very high91.6Very high74 Ų7467.9 Ų67.976%0.76339%0.386SS*.THydrogen-bonded Turntrans66.623.5-16800000113.3C308 D309C308-G312 PolarHBondContact O-N 2.89Å; D309-G312 PolarHBondContact O-N 3.46Å; D309-G312 VanDerWaalsContact O-N 3.09Å
313G96.1Very high90.2Very high35 Ų3567.5 Ų67.536%0.36139%0.386SS..SBendtrans179.7171.3-175.700000114C308 L311C308-G313 WeakPolarHBondContact CA-O 3.45Å; C308-G313 PolarHBondContact O-N 2.62Å; C308-G313 VanDerWaalsContact O-N 3.13Å; C308-G313 VanDerWaalsContact O-O 3.11Å; L311-G313 PolarHBondContact O-N 3.28Å
314I95.9Very high88.9Confident49 Ų4967.5 Ų67.525%0.25138%0.377SS..  trans-94119.9179.1-62.2177.4000108.9I23 D26 Y31 Y316I23-I314 HydrophobicContact CG2-CD1 4.26Å; D26-I314 HydrophobicContact CB-CD1 3.91Å; D26-I314 HydrophobicContact CB-CG2 3.86Å; Y31-I314 HydrophobicContact CE1-CG2 3.87Å; I314-Y316 HydrophobicContact CB-CE2 4.1Å; I314-Y316 HydrophobicContact CG2-CD2 4.25Å; I314-Y316 HydrophobicContact CG2-CE2 3.6Å; I314-Y316 WeakPolarHBondContact O-CD2 3.35Å
315P93.6Very high87.5Confident39 Ų3970.2 Ų70.225%0.25340%0.395SS..  trans-76.7141.3178.328.8-29.9000111Y31 Y307 L311Y31-P315 WeakPolarHBondContact CE1-O 3.25Å; Y31-P315 VanDerWaalsContact CZ-O 3.23Å; Y31-P315 PolarHBondContact OH-O 3Å; Y307-P315 HydrophobicContact CD1-CG 4.3Å; Y307-P315 HydrophobicContact CE1-CG 3.69Å; L311-P315 HydrophobicContact CD1-CB 4.04Å; L311-P315 HydrophobicContact CD1-CG 3.84Å
316Y88.5Confident85.6Confident61 Ų6176.1 Ų76.124%0.23942%0.416CS..  trans-127.1148170.3-68.7-95.6000110.2D26 Y31 L35 I314 M324D26-Y316 PolarHBondContact OD2-OH 3.22Å; Y31-Y316 AromaticContact CD1-CD1 3.95Å; Y31-Y316 HydrophobicContact CD1-CD1 3.95Å; Y31-Y316 AromaticContact CD1-CE1 3.75Å; Y31-Y316 HydrophobicContact CD1-CE1 3.75Å; Y31-Y316 AromaticContact CE1-CD1 4Å; Y31-Y316 HydrophobicContact CE1-CD1 4Å; Y31-Y316 AromaticContact CE1-CE1 3.93Å; Y31-Y316 HydrophobicContact CE1-CE1 3.93Å; Y31-Y316 HydrophobicContact CE1-CG 4.48Å; L35-Y316 HydrophobicContact CB-CE1 4.21Å; L35-Y316 WeakPolarHBondContact CB-OH 3.36Å; L35-Y316 HydrophobicContact CD2-CE1 4.35Å; I314-Y316 HydrophobicContact CB-CE2 4.1Å; I314-Y316 HydrophobicContact CG2-CD2 4.25Å; I314-Y316 HydrophobicContact CG2-CE2 3.6Å; I314-Y316 WeakPolarHBondContact O-CD2 3.35Å; Y316-M324 HydrophobicContact CD1-CE 4.21Å; Y316-M324 HydrophobicContact CE1-CE 4.47Å
317H83.2Confident83.4Confident97 Ų9773.1 Ų73.145%0.44941%0.407SS..  trans-72.3141.9170.9-171.9-86.6000110.3N319 Q320 I321H317-N319 VanDerWaalsContact C-N 3.26Å; H317-N319 PolarHBondContact ND1-N 3Å; H317-N319 VanDerWaalsContact ND1-N 3.19Å; H317-N319 PolarHBondContact O-N 3.18Å; H317-N319 VanDerWaalsContact O-N 3.14Å; H317-Q320 HydrophobicContact CB-CG 4.29Å; H317-Q320 VanDerWaalsContact N-OE1 3.08Å; H317-Q320 WeakPolarHBondContact O-CA 3.29Å; H317-Q320 WeakPolarHBondContact O-CB 3.22Å; H317-Q320 PolarHBondContact O-N 3.06Å; H317-I321 PolarHBondContact O-N 3.13Å
318A82.6Confident80.7Confident61 Ų6175.4 Ų75.450%0.50442%0.422SS..Hα-helixtrans-52.6-40.7-177.500000113.6Q320 I321 T322A318-Q320 VanDerWaalsContact C-N 3.29Å; A318-Q320 PolarHBondContact O-N 3.35Å; A318-I321 PolarHBondContact O-N 3.48Å; A318-T322 PolarHBondContact O-N 2.83Å; A318-T322 PolarHBondContact O-OG1 3.17Å
319N75.9Confident78Confident83 Ų8380.8 Ų80.844%0.44446%0.457SS..Hα-helixtrans-64-29.9176.1-60.54.7000113.5H317 F323H317-N319 VanDerWaalsContact C-N 3.26Å; H317-N319 PolarHBondContact ND1-N 3Å; H317-N319 VanDerWaalsContact ND1-N 3.19Å; H317-N319 PolarHBondContact O-N 3.18Å; H317-N319 VanDerWaalsContact O-N 3.14Å; N319-F323 PolarHBondContact O-N 3.31Å; N319-F323 VanDerWaalsContact O-N 3.17Å
320Q73.1Confident75Confident18 Ų1883 Ų838%0.08447%0.468CS..Hα-helixtrans-68.9-42.7174.4-68.3175.1-52.800110.2N36 H317 A318 T322 F323 M324N36-Q320 PolarHBondContact ND2-NE2 2.9Å; H317-Q320 HydrophobicContact CB-CG 4.29Å; H317-Q320 VanDerWaalsContact N-OE1 3.08Å; H317-Q320 WeakPolarHBondContact O-CA 3.29Å; H317-Q320 WeakPolarHBondContact O-CB 3.22Å; H317-Q320 PolarHBondContact O-N 3.06Å; A318-Q320 VanDerWaalsContact C-N 3.29Å; A318-Q320 PolarHBondContact O-N 3.35Å; Q320-T322 VanDerWaalsContact C-N 3.33Å; Q320-T322 PolarHBondContact O-N 3.14Å; Q320-F323 PolarHBondContact O-N 3.33Å; Q320-M324 VanDerWaalsContact O-CG 3.29Å; Q320-M324 WeakPolarHBondContact O-CG 3.41Å; Q320-M324 PolarHBondContact O-N 3.41Å; Q320-M324 VanDerWaalsContact O-N 3.07Å
321I78Confident71.6Confident82 Ų8287.7 Ų87.742%0.42148%0.48SS..Hα-helixtrans-61.7-44.9176.2-58.5173.9000110.4H317 A318 F323 M324 V325H317-I321 PolarHBondContact O-N 3.13Å; A318-I321 PolarHBondContact O-N 3.48Å; I321-F323 VanDerWaalsContact C-N 3.35Å; I321-F323 PolarHBondContact O-N 3.37Å; I321-M324 HydrophobicContact CG1-CE 4.29Å; I321-M324 PolarHBondContact O-N 3.02Å; I321-M324 VanDerWaalsContact O-N 3.13Å; I321-V325 HydrophobicContact CG2-CG2 4.21Å; I321-V325 WeakPolarHBondContact O-CG2 3.25Å; I321-V325 PolarHBondContact O-N 2.8Å
322T77.3Confident69Low73 Ų7394.2 Ų94.245%0.44851%0.513SS..Hα-helixtrans-58.7-47.4-179.6-53.10000111.1A318 Q320 M324 V325 Y326A318-T322 PolarHBondContact O-N 2.83Å; A318-T322 PolarHBondContact O-OG1 3.17Å; Q320-T322 VanDerWaalsContact C-N 3.33Å; Q320-T322 PolarHBondContact O-N 3.14Å; T322-M324 VanDerWaalsContact C-N 3.35Å; T322-M324 PolarHBondContact O-N 2.89Å; T322-V325 PolarHBondContact O-N 3.44Å; T322-Y326 HydrophobicContact CG2-CD2 3.94Å; T322-Y326 WeakPolarHBondContact O-CB 3.23Å; T322-Y326 WeakPolarHBondContact O-CD2 3.11Å; T322-Y326 PolarHBondContact O-N 3.3Å
323F69Low67.5Low42 Ų4295.3 Ų95.318%0.18450%0.5CS..Hα-helixtrans-59-43.1175.2178.2-86.1000112.2N319 Q320 I321 V325 D327N319-F323 PolarHBondContact O-N 3.31Å; N319-F323 VanDerWaalsContact O-N 3.17Å; Q320-F323 PolarHBondContact O-N 3.33Å; I321-F323 VanDerWaalsContact C-N 3.35Å; I321-F323 PolarHBondContact O-N 3.37Å; F323-V325 VanDerWaalsContact C-N 3.29Å; F323-V325 PolarHBondContact O-N 3.16Å; F323-D327 HydrophobicContact CD2-CB 4.38Å; F323-D327 VanDerWaalsContact CD2-CG 3.46Å; F323-D327 WeakPolarHBondContact CD2-OD2 3.31Å; F323-D327 HydrophobicContact CE2-CB 4.41Å; F323-D327 WeakPolarHBondContact CE2-OD2 3.1Å; F323-D327 WeakPolarHBondContact O-CB 2.76Å; F323-D327 PolarHBondContact O-N 2.94Å
324M70.5Confident66Low62 Ų6298.4 Ų98.431%0.30551%0.508SS..Hα-helixtrans-69.8-24.2-178.1-69.3-177.9-58.200113.9L35 Y316 Q320 I321 T322L35-M324 HydrophobicContact CB-SD 4.16Å; L35-M324 HydrophobicContact CD2-CE 3.82Å; L35-M324 HydrophobicContact CD2-SD 3.61Å; L35-M324 HydrophobicContact CG-CE 4.4Å; L35-M324 HydrophobicContact CG-SD 3.52Å; L35-M324 VanDerWaalsContact CG-SD 3.52Å; Y316-M324 HydrophobicContact CD1-CE 4.21Å; Y316-M324 HydrophobicContact CE1-CE 4.47Å; Q320-M324 VanDerWaalsContact O-CG 3.29Å; Q320-M324 WeakPolarHBondContact O-CG 3.41Å; Q320-M324 PolarHBondContact O-N 3.41Å; Q320-M324 VanDerWaalsContact O-N 3.07Å; I321-M324 HydrophobicContact CG1-CE 4.29Å; I321-M324 PolarHBondContact O-N 3.02Å; I321-M324 VanDerWaalsContact O-N 3.13Å; T322-M324 VanDerWaalsContact C-N 3.35Å; T322-M324 PolarHBondContact O-N 2.89Å
325V67.8Low64.4Low94 Ų94101.2 Ų101.257%0.5752%0.522SS*.Hα-helixtrans-101.8-32.1-175.3178.60000112.6I321 T322 F323I321-V325 HydrophobicContact CG2-CG2 4.21Å; I321-V325 WeakPolarHBondContact O-CG2 3.25Å; I321-V325 PolarHBondContact O-N 2.8Å; T322-V325 PolarHBondContact O-N 3.44Å; F323-V325 VanDerWaalsContact C-N 3.29Å; F323-V325 PolarHBondContact O-N 3.16Å
326Y59.4Low62.6Low173 Ų173104.8 Ų104.868%0.67854%0.538SS*.Hα-helixtrans-123.5-2.5-164.9-60.6-74.7000115.8T322 E328T322-Y326 HydrophobicContact CG2-CD2 3.94Å; T322-Y326 WeakPolarHBondContact O-CB 3.23Å; T322-Y326 WeakPolarHBondContact O-CD2 3.11Å; T322-Y326 PolarHBondContact O-N 3.3Å; Y326-E328 PolarHBondContact O-N 2.75Å
327D52.8Low61Low90 Ų90107.6 Ų107.648%0.48156%0.556SS.*  trans-69.2103.4175.5-98.230.8000110F323F323-D327 HydrophobicContact CD2-CB 4.38Å; F323-D327 VanDerWaalsContact CD2-CG 3.46Å; F323-D327 WeakPolarHBondContact CD2-OD2 3.31Å; F323-D327 HydrophobicContact CE2-CB 4.41Å; F323-D327 WeakPolarHBondContact CE2-OD2 3.1Å; F323-D327 WeakPolarHBondContact O-CB 2.76Å; F323-D327 PolarHBondContact O-N 2.94Å
328E41.6Very low59.6Low170 Ų170108.3 Ų108.379%0.79456%0.564SS**  trans-56.2141.9157.6-71.2-175.6159.900108.8Y326 I330Y326-E328 PolarHBondContact O-N 2.75Å; E328-I330 PolarHBondContact O-N 3.09Å; E328-I330 VanDerWaalsContact O-N 3.1Å
329P41.9Very low57.9Low116 Ų116111.6 Ų111.675%0.75357%0.568SS**  trans-56.1124.2-179.921.6-30.3000109.1Q331P329-Q331 PolarHBondContact O-N 2.95Å
330I34.2Very low56.5Low143 Ų143113.8 Ų113.873%0.73358%0.577SS**  trans-51.2105.7169.6-63172.7000106.5E328 I332E328-I330 PolarHBondContact O-N 3.09Å; E328-I330 VanDerWaalsContact O-N 3.1Å; I330-I332 PolarHBondContact O-N 3.32Å; I330-I332 VanDerWaalsContact O-N 3.15Å
331Q27.1Very low55.2Low189 Ų189121.8 Ų121.888%0.88362%0.618SS**  trans-65.6113167.1-71.5-164.6-15.500106.6P329P329-Q331 PolarHBondContact O-N 2.95Å
332I42.3Very low53.1Low228 Ų228125.5 Ų125.5100%1.16964%0.636SS**  trans-77.10166-58.4176.4000108I330I330-I332 PolarHBondContact O-N 3.32Å; I330-I332 VanDerWaalsContact O-N 3.15Å

Retrieved 332 of 332 residues in 266.9 ms (Link to these results)

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