A0A077ZKZ1_TRITR Loading...

3'(2'),5'-bisphosphate nucleotidase 1

AlphaFold DB , UniProt , Accession A0A077ZKZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 246 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
1M94.1Very high98Very high108 Ų10854.2 Ų54.253%0.53227%0.267SS..  0-62.70-167.3-166.4-75.200111.7D3 Q4 V5 T56 W80 L104 L112M1-D3 PolarHBondContact O-N 3.12Å; M1-Q4 WeakPolarHBondContact O-CB 3.43Å; M1-Q4 PolarHBondContact O-N 3.18Å; M1-V5 HydrophobicContact CG-CG2 4.33Å; M1-V5 PolarHBondContact O-N 3.41Å; M1-V5 VanDerWaalsContact O-N 3.14Å; M1-T56 HydrophobicContact CE-CG2 4.4Å; M1-W80 HydrophobicContact SD-CH2 3.94Å; M1-W80 HydrophobicContact SD-CZ2 4.11Å; M1-L104 HydrophobicContact SD-CD2 4.11Å; M1-L112 HydrophobicContact CG-CD1 4.34Å; M1-L112 HydrophobicContact SD-CD1 3.92Å
2L97.5Very high98.1Very high29 Ų2949.7 Ų49.715%0.15225%0.245CC..Hα-helixtrans-50.1-51.2-175-173.364000113.4Q4 V5 C6 L112 V114 A127 W132L2-Q4 PolarHBondContact O-N 3.28Å; L2-V5 PolarHBondContact O-N 2.75Å; L2-C6 PolarHBondContact O-N 3.33Å; L2-C6 PolarHBondContact O-SG 2.95Å; L2-L112 HydrophobicContact CB-CD1 4.35Å; L2-L112 HydrophobicContact CD1-CD1 3.88Å; L2-L112 HydrophobicContact CD1-CD2 4.02Å; L2-L112 HydrophobicContact CD1-CG 3.79Å; L2-V114 HydrophobicContact CD1-CG2 4.08Å; L2-A127 HydrophobicContact CD1-CB 4.26Å; L2-A127 HydrophobicContact CD2-CB 4.02Å; L2-W132 HydrophobicContact CD2-CE3 4.09Å; L2-W132 HydrophobicContact CD2-CZ3 3.81Å
3D97.7Very high98.1Very high129 Ų12945.8 Ų45.869%0.6923%0.226SC*.Hα-helixtrans-58.8-34.3179.9-60.3-25.1000113.5M1 C6 Q7M1-D3 PolarHBondContact O-N 3.12Å; D3-C6 WeakPolarHBondContact O-CB 3.5Å; D3-C6 PolarHBondContact O-N 3.06Å; D3-Q7 WeakPolarHBondContact O-CB 3.3Å; D3-Q7 PolarHBondContact O-N 2.81Å
4Q98.4Very high98.1Very high106 Ų10649.1 Ų49.150%0.49525%0.245SC..Hα-helixtrans-71.4-37.5177.7-63.3166.3-74.500111.1M1 L2 Q7 L8 L55M1-Q4 WeakPolarHBondContact O-CB 3.43Å; M1-Q4 PolarHBondContact O-N 3.18Å; L2-Q4 PolarHBondContact O-N 3.28Å; Q4-Q7 PolarHBondContact O-N 2.94Å; Q4-L8 WeakPolarHBondContact O-CB 3.19Å; Q4-L8 PolarHBondContact O-N 2.99Å; Q4-L55 HydrophobicContact CB-CD1 3.94Å; Q4-L55 HydrophobicContact CB-CD2 3.76Å; Q4-L55 HydrophobicContact CG-CD2 4.13Å; Q4-L55 VanDerWaalsContact NE2-CD2 3.25Å
5V98.6Very high98.1Very high1 Ų146.7 Ų46.71%0.00624%0.236CC..Hα-helixtrans-69.6-39.8174.4-176.60000110.7M1 L2 Q7 L8 A9 W80 I102 L112 V114M1-V5 HydrophobicContact CG-CG2 4.33Å; M1-V5 PolarHBondContact O-N 3.41Å; M1-V5 VanDerWaalsContact O-N 3.14Å; L2-V5 PolarHBondContact O-N 2.75Å; V5-Q7 PolarHBondContact O-N 3.02Å; V5-L8 WeakPolarHBondContact O-CB 3.27Å; V5-L8 PolarHBondContact O-N 3.47Å; V5-A9 PolarHBondContact O-N 3.42Å; V5-W80 HydrophobicContact CG1-CZ3 4.44Å; V5-W80 HydrophobicContact CG2-CH2 3.7Å; V5-W80 HydrophobicContact CG2-CZ2 4.49Å; V5-W80 HydrophobicContact CG2-CZ3 4.12Å; V5-I102 HydrophobicContact CG1-CB 4Å; V5-I102 HydrophobicContact CG1-CD1 4.19Å; V5-I102 HydrophobicContact CG1-CG2 3.64Å; V5-L112 HydrophobicContact CB-CD2 4.4Å; V5-L112 HydrophobicContact CG1-CD2 4.14Å; V5-L112 HydrophobicContact CG2-CD2 4.36Å; V5-V114 HydrophobicContact CB-CG2 4.23Å; V5-V114 HydrophobicContact CG1-CB 4.27Å; V5-V114 HydrophobicContact CG1-CG2 3.73Å
6C98.6Very high98Very high7 Ų743.8 Ų43.85%0.04722%0.221CC..Hα-helixtrans-58.2-47.1171.6-69.20000111.3L2 D3 L8 A9 R10 M123L2-C6 PolarHBondContact O-N 3.33Å; L2-C6 PolarHBondContact O-SG 2.95Å; D3-C6 WeakPolarHBondContact O-CB 3.5Å; D3-C6 PolarHBondContact O-N 3.06Å; C6-L8 VanDerWaalsContact C-N 3.31Å; C6-L8 PolarHBondContact O-N 3.25Å; C6-A9 PolarHBondContact O-N 3.32Å; C6-R10 PolarHBondContact O-N 3.44Å; C6-R10 VanDerWaalsContact O-N 3.08Å; C6-M123 HydrophobicContact CB-CE 4.22Å; C6-M123 HydrophobicContact CB-SD 3.41Å; C6-M123 WeakPolarHBondContact CB-SD 3.17Å; C6-M123 WeakPolarHBondContact O-CE 3.5Å
7Q98.5Very high98Very high89 Ų8943.2 Ų43.242%0.41622%0.218SC..Hα-helixtrans-63.5-38.5176-172.157.248.800112.1D3 Q4 V5 R10 N11D3-Q7 WeakPolarHBondContact O-CB 3.3Å; D3-Q7 PolarHBondContact O-N 2.81Å; Q4-Q7 PolarHBondContact O-N 2.94Å; V5-Q7 PolarHBondContact O-N 3.02Å; Q7-R10 PolarHBondContact O-N 3.07Å; Q7-N11 PolarHBondContact NE2-OD1 3.36Å; Q7-N11 VanDerWaalsContact O-CG 3.25Å; Q7-N11 PolarHBondContact O-N 3.4Å; Q7-N11 PolarHBondContact O-OD1 2.74Å
8L98.7Very high97.9Very high10 Ų1045.4 Ų45.45%0.05223%0.227CC..Hα-helixtrans-62.1-42.6175.5-176.157.2000112.1Q4 V5 C6 R10 N11 A12 V47 I48 L52 L55 I102Q4-L8 WeakPolarHBondContact O-CB 3.19Å; Q4-L8 PolarHBondContact O-N 2.99Å; V5-L8 WeakPolarHBondContact O-CB 3.27Å; V5-L8 PolarHBondContact O-N 3.47Å; C6-L8 VanDerWaalsContact C-N 3.31Å; C6-L8 PolarHBondContact O-N 3.25Å; L8-R10 VanDerWaalsContact C-N 3.32Å; L8-R10 PolarHBondContact O-N 3.19Å; L8-N11 PolarHBondContact O-N 2.93Å; L8-A12 PolarHBondContact O-N 2.83Å; L8-V47 HydrophobicContact CD1-CG1 4.03Å; L8-V47 WeakPolarHBondContact CD1-O 3.36Å; L8-I48 HydrophobicContact CD2-CG2 4.29Å; L8-L52 HydrophobicContact CD2-CD2 3.79Å; L8-L52 HydrophobicContact CD2-CG 3.73Å; L8-L55 HydrophobicContact CD2-CD1 4.38Å; L8-I102 HydrophobicContact CD2-CD1 4.43Å; L8-I102 HydrophobicContact CG-CD1 4.35Å
9A98.8Very high97.7Very high0 Ų043.1 Ų43.10%022%0.216CC..Hα-helixtrans-61.9-37.2174.600000112.2V5 C6 A12 G13 V100 I102 V114 Y116V5-A9 PolarHBondContact O-N 3.42Å; C6-A9 PolarHBondContact O-N 3.32Å; A9-A12 PolarHBondContact O-N 2.87Å; A9-G13 PolarHBondContact O-N 2.89Å; A9-V100 HydrophobicContact CB-CG1 4.25Å; A9-I102 HydrophobicContact CB-CD1 4.15Å; A9-V114 HydrophobicContact CB-CG1 3.7Å; A9-Y116 WeakPolarHBondContact O-CD1 3.47Å
10R98.6Very high97.6Very high47 Ų4741.9 Ų41.918%0.17721%0.209CC..Hα-helixtrans-63.3-48.4172.4-65.3-173.8-174.388.11.5111.8C6 Q7 L8 A12 G13 D14 Y116 M123 E134C6-R10 PolarHBondContact O-N 3.44Å; C6-R10 VanDerWaalsContact O-N 3.08Å; Q7-R10 PolarHBondContact O-N 3.07Å; L8-R10 VanDerWaalsContact C-N 3.32Å; L8-R10 PolarHBondContact O-N 3.19Å; R10-A12 VanDerWaalsContact C-N 3.25Å; R10-A12 PolarHBondContact O-N 3.44Å; R10-G13 CarbonylContact O-C 3.58Å; R10-G13 WeakPolarHBondContact O-CA 3.41Å; R10-G13 PolarHBondContact O-N 3.32Å; R10-D14 PolarHBondContact O-N 3.4Å; R10-Y116 HydrophobicContact CG-CE1 4.38Å; R10-M123 HydrophobicContact CG-CE 3.48Å; R10-M123 VanDerWaalsContact CG-CE 3.48Å; R10-E134 IonicContact CZ-OE1 2.71Å; R10-E134 IonicContact NH2-OE1 2.91Å; R10-E134 PolarHBondContact NH2-OE1 3.46Å; R10-E134 IonicContact NH2-OE2 3.76Å; R10-E134 PolarHBondContact NH2-OE2 3.32Å
11N98.7Very high97.4Very high70 Ų7044.7 Ų44.737%0.37423%0.225SC..Hα-helixtrans-59.8-39179.8-63-6.1000111.6Q7 L8 D14 A15 V47Q7-N11 PolarHBondContact NE2-OD1 3.36Å; Q7-N11 VanDerWaalsContact O-CG 3.25Å; Q7-N11 PolarHBondContact O-N 3.4Å; Q7-N11 PolarHBondContact O-OD1 2.74Å; L8-N11 PolarHBondContact O-N 2.93Å; N11-D14 PolarHBondContact O-N 2.89Å; N11-A15 PolarHBondContact O-N 2.68Å; N11-V47 HydrophobicContact CB-CG1 3.76Å
12A98.7Very high97.2Very high0 Ų042.3 Ų42.30%023%0.227CC..Hα-helixtrans-65.9-44.4173.200000111.5L8 A9 R10 D14 A15 I16 A44 V47 I48 V100L8-A12 PolarHBondContact O-N 2.83Å; A9-A12 PolarHBondContact O-N 2.87Å; R10-A12 VanDerWaalsContact C-N 3.25Å; R10-A12 PolarHBondContact O-N 3.44Å; A12-D14 VanDerWaalsContact C-N 3.33Å; A12-D14 PolarHBondContact O-N 3.33Å; A12-A15 WeakPolarHBondContact O-CB 3.25Å; A12-A15 PolarHBondContact O-N 2.96Å; A12-A15 VanDerWaalsContact O-N 3.13Å; A12-I16 WeakPolarHBondContact O-CG1 3.22Å; A12-I16 PolarHBondContact O-N 2.94Å; A12-A44 HydrophobicContact CB-CB 4.36Å; A12-V47 HydrophobicContact CB-CG1 4.3Å; A12-I48 HydrophobicContact CB-CD1 3.81Å; A12-I48 HydrophobicContact CB-CG1 3.62Å; A12-V100 HydrophobicContact CB-CG1 4.18Å; A12-V100 HydrophobicContact CB-CG2 4.14Å
13G98.3Very high96.8Very high0 Ų046.2 Ų46.20%025%0.253CS..Hα-helixtrans-56.9-42.6173.500000113.1A9 R10 A15 I16 M17A9-G13 PolarHBondContact O-N 2.89Å; R10-G13 CarbonylContact O-C 3.58Å; R10-G13 WeakPolarHBondContact O-CA 3.41Å; R10-G13 PolarHBondContact O-N 3.32Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 2.83Å; G13-I16 WeakPolarHBondContact O-CB 3.46Å; G13-I16 PolarHBondContact O-N 2.84Å; G13-M17 WeakPolarHBondContact O-CB 3.31Å; G13-M17 VanDerWaalsContact O-CG 3.26Å; G13-M17 WeakPolarHBondContact O-CG 3.41Å; G13-M17 PolarHBondContact O-N 2.69Å
14D98.1Very high96.1Very high92 Ų9244.4 Ų44.449%0.49224%0.239SC..Hα-helixtrans-61.3-41.3175.4-69-22.7000111.4R10 N11 A12 M17 Q18R10-D14 PolarHBondContact O-N 3.4Å; N11-D14 PolarHBondContact O-N 2.89Å; A12-D14 VanDerWaalsContact C-N 3.33Å; A12-D14 PolarHBondContact O-N 3.33Å; D14-M17 PolarHBondContact O-N 2.98Å; D14-Q18 WeakPolarHBondContact O-CG 3.46Å; D14-Q18 PolarHBondContact O-N 3.47Å
15A97.8Very high95.4Very high12 Ų1243.3 Ų43.310%0.09924%0.241CC..Hα-helixtrans-64.5-39.617600000112.2N11 A12 G13 Q18 A43 V47N11-A15 PolarHBondContact O-N 2.68Å; A12-A15 WeakPolarHBondContact O-CB 3.25Å; A12-A15 PolarHBondContact O-N 2.96Å; A12-A15 VanDerWaalsContact O-N 3.13Å; G13-A15 VanDerWaalsContact C-N 3.32Å; G13-A15 PolarHBondContact O-N 2.83Å; A15-Q18 PolarHBondContact O-N 3Å; A15-A43 HydrophobicContact CB-CB 4.12Å; A15-V47 HydrophobicContact CB-CG2 4.19Å
16I97.6Very high94.6Very high0 Ų045.8 Ų45.80%025%0.253CS..Hα-helixtrans-62.7-46.4173.1-65.8168.7000110.2A12 G13 Q18 V19 Y20 A40 A44 P84 L85 F91 F98 V100A12-I16 WeakPolarHBondContact O-CG1 3.22Å; A12-I16 PolarHBondContact O-N 2.94Å; G13-I16 WeakPolarHBondContact O-CB 3.46Å; G13-I16 PolarHBondContact O-N 2.84Å; I16-Q18 VanDerWaalsContact C-N 3.28Å; I16-Q18 PolarHBondContact O-N 2.82Å; I16-V19 PolarHBondContact O-N 2.78Å; I16-Y20 PolarHBondContact O-N 2.68Å; I16-A40 HydrophobicContact CB-CB 4.5Å; I16-A40 HydrophobicContact CG1-CB 4.48Å; I16-A40 HydrophobicContact CG2-CB 4.22Å; I16-A44 HydrophobicContact CD1-CB 3.8Å; I16-A44 HydrophobicContact CG1-CB 3.67Å; I16-P84 WeakPolarHBondContact CD1-O 3.43Å; I16-L85 HydrophobicContact CD1-CB 4.23Å; I16-L85 HydrophobicContact CD1-CD1 4.24Å; I16-L85 HydrophobicContact CD1-CG 4.19Å; I16-L85 HydrophobicContact CG1-CD1 4.17Å; I16-L85 HydrophobicContact CG2-CD1 3.93Å; I16-F91 HydrophobicContact CG2-CD2 4.02Å; I16-F91 HydrophobicContact CG2-CE2 3.56Å; I16-F98 HydrophobicContact CG2-CD2 4.12Å; I16-F98 HydrophobicContact CG2-CE2 3.55Å; I16-F98 HydrophobicContact CG2-CZ 4.27Å; I16-V100 HydrophobicContact CD1-CG2 3.58Å
17M97.6Very high93.9Very high35 Ų3550.6 Ų50.617%0.17228%0.278CS..Hα-helixtrans-64.2-31-177.9-70.8-56.3-63.600112.5G13 D14 V19 Y20 D21 F98 P118 V119G13-M17 WeakPolarHBondContact O-CB 3.31Å; G13-M17 VanDerWaalsContact O-CG 3.26Å; G13-M17 WeakPolarHBondContact O-CG 3.41Å; G13-M17 PolarHBondContact O-N 2.69Å; D14-M17 PolarHBondContact O-N 2.98Å; M17-V19 VanDerWaalsContact C-N 3.25Å; M17-V19 PolarHBondContact O-N 2.61Å; M17-Y20 HydrophobicContact CE-CD1 3.79Å; M17-Y20 PolarHBondContact O-N 3.38Å; M17-Y20 HydrophobicContact SD-CD1 4Å; M17-Y20 HydrophobicContact SD-CG 4.32Å; M17-D21 WeakPolarHBondContact CE-OD1 3.42Å; M17-D21 WeakPolarHBondContact O-CB 3.46Å; M17-D21 PolarHBondContact O-N 3.38Å; M17-F98 HydrophobicContact SD-CZ 4.26Å; M17-P118 HydrophobicContact CG-CB 3.74Å; M17-P118 HydrophobicContact SD-CB 3.86Å; M17-V119 HydrophobicContact CE-CG2 4.08Å; M17-V119 HydrophobicContact SD-CG2 3.71Å
18Q96.1Very high93.2Very high82 Ų8249.9 Ų49.938%0.38328%0.28SS..Hα-helixtrans-58.2-37.5172-72.3178.11.800112.9D14 A15 I16 T23 K24D14-Q18 WeakPolarHBondContact O-CG 3.46Å; D14-Q18 PolarHBondContact O-N 3.47Å; A15-Q18 PolarHBondContact O-N 3Å; I16-Q18 VanDerWaalsContact C-N 3.28Å; I16-Q18 PolarHBondContact O-N 2.82Å; Q18-T23 CarbonylContact O-C 3.42Å; Q18-T23 WeakPolarHBondContact O-CA 3.39Å; Q18-T23 VanDerWaalsContact O-CB 3.27Å; Q18-T23 WeakPolarHBondContact O-CB 3.33Å; Q18-T23 PolarHBondContact O-N 2.85Å; Q18-K24 HydrophobicContact CB-CD 4.12Å; Q18-K24 HydrophobicContact CB-CG 4.47Å; Q18-K24 PolarHBondContact O-N 2.9Å
19V94.6Very high92.5Very high2 Ų253.8 Ų53.81%0.01230%0.304CS..Hα-helixtrans-80.2-43.6175.8-179.30000110.2I16 M17 D21 G22 K24 P25 M26 A39 A40 F91I16-V19 PolarHBondContact O-N 2.78Å; M17-V19 VanDerWaalsContact C-N 3.25Å; M17-V19 PolarHBondContact O-N 2.61Å; V19-D21 PolarHBondContact O-N 2.97Å; V19-G22 PolarHBondContact O-N 3.32Å; V19-G22 VanDerWaalsContact O-N 3.12Å; V19-K24 HydrophobicContact CG2-CB 3.86Å; V19-K24 HydrophobicContact CG2-CD 4.31Å; V19-P25 WeakPolarHBondContact CG1-O 3.5Å; V19-M26 HydrophobicContact CG1-CB 4.48Å; V19-A39 HydrophobicContact CG1-CB 4.44Å; V19-A39 HydrophobicContact CG2-CB 4.22Å; V19-A40 HydrophobicContact CB-CB 3.83Å; V19-A40 HydrophobicContact CG1-CB 4.02Å; V19-A40 HydrophobicContact CG2-CB 4.09Å; V19-F91 HydrophobicContact CB-CZ 4.28Å; V19-F91 HydrophobicContact CG1-CE1 4.44Å; V19-F91 HydrophobicContact CG1-CZ 3.98Å
20Y94.7Very high91.7Very high18 Ų1857.8 Ų57.87%0.07133%0.331CS..Hα-helixtrans-57.7-46.7179-166.2-108.9000111.7I16 M17 G22 F91 R94 G96 F98 V119I16-Y20 PolarHBondContact O-N 2.68Å; M17-Y20 HydrophobicContact CE-CD1 3.79Å; M17-Y20 PolarHBondContact O-N 3.38Å; M17-Y20 HydrophobicContact SD-CD1 4Å; M17-Y20 HydrophobicContact SD-CG 4.32Å; Y20-G22 PolarHBondContact O-N 2.84Å; Y20-F91 AromaticContact CD2-CD2 3.66Å; Y20-F91 HydrophobicContact CD2-CD2 3.66Å; Y20-F91 AromaticContact CD2-CE2 3.5Å; Y20-F91 HydrophobicContact CD2-CE2 3.5Å; Y20-F91 HydrophobicContact CD2-CG 4.36Å; Y20-F91 HydrophobicContact CD2-CZ 4.09Å; Y20-F91 HydrophobicContact CE2-CD2 4.3Å; Y20-F91 HydrophobicContact CG-CE2 4.07Å; Y20-R94 HydrophobicContact CE2-CB 4.19Å; Y20-R94 HydrophobicContact CE2-CG 4.3Å; Y20-R94 PolarHBondContact O-NH1 3.32Å; Y20-R94 PolarHBondContact O-NH2 2.8Å; Y20-R94 VanDerWaalsContact OH-CA 3.29Å; Y20-R94 WeakPolarHBondContact OH-CA 3.32Å; Y20-R94 PolarHBondContact OH-O 2.82Å; Y20-R94 VanDerWaalsContact OH-O 3.09Å; Y20-G96 PolarHBondContact OH-N 3.32Å; Y20-G96 VanDerWaalsContact OH-N 3.15Å; Y20-F98 HydrophobicContact CD1-CZ 4.32Å; Y20-F98 AromaticContact CD2-CE1 3.7Å; Y20-F98 HydrophobicContact CD2-CE1 3.7Å; Y20-F98 AromaticContact CD2-CZ 3.74Å; Y20-F98 HydrophobicContact CD2-CZ 3.74Å; Y20-F98 HydrophobicContact CE1-CE1 4.44Å; Y20-F98 HydrophobicContact CE1-CZ 4.45Å; Y20-F98 HydrophobicContact CE2-CD1 4.47Å; Y20-F98 AromaticContact CE2-CE1 3.4Å; Y20-F98 HydrophobicContact CE2-CE1 3.4Å; Y20-F98 AromaticContact CE2-CZ 3.88Å; Y20-F98 HydrophobicContact CE2-CZ 3.88Å; Y20-F98 HydrophobicContact CG-CE1 4.32Å; Y20-F98 AromaticContact CG-CZ 3.95Å; Y20-F98 HydrophobicContact CG-CZ 3.95Å; Y20-F98 AromaticContact CZ-CE1 3.8Å; Y20-V119 HydrophobicContact CD1-CG2 4.08Å; Y20-V119 HydrophobicContact CE1-CG2 3.7Å
21D93.9Very high90.8Very high102 Ų10257.6 Ų57.655%0.54533%0.332SS..THydrogen-bonded Turntrans-78.5-0.7-178.2-64.5-25.5000113.4M17 V19M17-D21 WeakPolarHBondContact CE-OD1 3.42Å; M17-D21 WeakPolarHBondContact O-CB 3.46Å; M17-D21 PolarHBondContact O-N 3.38Å; V19-D21 PolarHBondContact O-N 2.97Å
22G89.4Confident89.8Confident57 Ų5759.7 Ų59.759%0.58836%0.359SS*.THydrogen-bonded Turntrans79.413.8177.700000114.6V19 Y20V19-G22 PolarHBondContact O-N 3.32Å; V19-G22 VanDerWaalsContact O-N 3.12Å; Y20-G22 PolarHBondContact O-N 2.84Å
23T89.1Confident88.8Confident112 Ų11265 Ų6569%0.68739%0.388SS*.SBendtrans-68-30.4170.2-56.20000110.9Q18Q18-T23 CarbonylContact O-C 3.42Å; Q18-T23 WeakPolarHBondContact O-CA 3.39Å; Q18-T23 VanDerWaalsContact O-CB 3.27Å; Q18-T23 WeakPolarHBondContact O-CB 3.33Å; Q18-T23 PolarHBondContact O-N 2.85Å
24K83.7Confident87.8Confident91 Ų9171.5 Ų71.540%0.39642%0.422SS..SBendtrans-120.6153.3170.7-73.8176.4174.8168.90110.1Q18 V19Q18-K24 HydrophobicContact CB-CD 4.12Å; Q18-K24 HydrophobicContact CB-CG 4.47Å; Q18-K24 PolarHBondContact O-N 2.9Å; V19-K24 HydrophobicContact CG2-CB 3.86Å; V19-K24 HydrophobicContact CG2-CD 4.31Å
25P82.3Confident86.8Confident82 Ų8268.5 Ų68.553%0.53241%0.408SS..  trans-67.5148.4178.329.7-35.5000111.8V19 D27V19-P25 WeakPolarHBondContact CG1-O 3.5Å; P25-D27 VanDerWaalsContact C-N 3.35Å; P25-D27 PolarHBondContact O-N 2.75Å
26M82.5Confident86.1Confident54 Ų5469.3 Ų69.327%0.26641%0.413SS..  trans-74.8-19.4-176.7-175.6173.9-80.400114V19 V28 T38 F91 R94V19-M26 HydrophobicContact CG1-CB 4.48Å; M26-V28 HydrophobicContact CG-CG2 3.94Å; M26-V28 PolarHBondContact O-N 3.46Å; M26-V28 HydrophobicContact SD-CG2 4.43Å; M26-T38 WeakPolarHBondContact O-CB 3.39Å; M26-F91 HydrophobicContact CE-CE1 4.06Å; M26-F91 HydrophobicContact CG-CE1 4.28Å; M26-R94 HydrophobicContact CE-CG 4.44Å
27D84.2Confident85.5Confident107 Ų10770.2 Ų70.257%0.57242%0.418SS*.  trans14.788.5-179.5-65.3-10.4000114.8P25 T38 A39P25-D27 VanDerWaalsContact C-N 3.35Å; P25-D27 PolarHBondContact O-N 2.75Å; D27-T38 WeakPolarHBondContact O-CA 3.39Å; D27-A39 HydrophobicContact CB-CB 4.41Å; D27-A39 PolarHBondContact O-N 2.81Å
28V83Confident85.1Confident75 Ų7568.7 Ų68.746%0.45541%0.411SS..EExtended strand (participates in β ladder)trans-92.2121.7-179.9-171.80000109.3M26 P36 V37 T38 I92M26-V28 HydrophobicContact CG-CG2 3.94Å; M26-V28 PolarHBondContact O-N 3.46Å; M26-V28 HydrophobicContact SD-CG2 4.43Å; V28-P36 HydrophobicContact CG1-CB 4.06Å; V28-V37 WeakPolarHBondContact CA-O 3.33Å; V28-T38 HydrophobicContact CG2-CG2 4.09Å; V28-I92 HydrophobicContact CG1-CD1 4.13Å; V28-I92 HydrophobicContact CG2-CG1 4.49Å
29V84.6Confident84.8Confident91 Ų9166.3 Ų66.355%0.55241%0.405SS*.EExtended strand (participates in β ladder)trans-116.5149173.7-177.90000108.4V37V29-V37 HydrophobicContact CB-CG1 3.94Å; V29-V37 PolarHBondContact N-O 3Å; V29-V37 WeakPolarHBondContact O-CG1 3.38Å; V29-V37 PolarHBondContact O-N 3.45Å; V29-V37 VanDerWaalsContact O-O 3.14Å
30S82Confident84.8Confident84 Ų8466.2 Ų66.259%0.58741%0.405SS*.EExtended strand (participates in β ladder)trans-90.2130.2171.3-63.60000110.3S35S30-S35 WeakPolarHBondContact CA-O 3.34Å
31K80.2Confident84.8Confident44 Ų4465.4 Ų65.419%0.19140%0.401CS..  trans-68.4170.6169-56.4-169.9-165176.30110.2D33 N34 S35 V37 E64 E65K31-D33 WeakPolarHBondContact CB-OD1 3.21Å; K31-D33 PolarHBondContact O-N 2.94Å; K31-N34 WeakPolarHBondContact O-CA 3.43Å; K31-N34 PolarHBondContact O-N 3.3Å; K31-S35 WeakPolarHBondContact CD-OG 3.19Å; K31-S35 PolarHBondContact N-O 3.38Å; K31-V37 HydrophobicContact CD-CB 4.34Å; K31-V37 HydrophobicContact CG-CB 3.93Å; K31-V37 HydrophobicContact CG-CG1 4.04Å; K31-E64 IonicContact NZ-OE1 3.01Å; K31-E64 PolarHBondContact NZ-OE1 2.72Å; K31-E65 WeakPolarHBondContact CE-OE2 3.47Å; K31-E65 IonicContact NZ-OE1 2.79Å; K31-E65 PolarHBondContact NZ-OE1 3.12Å; K31-E65 IonicContact NZ-OE2 2.71Å; K31-E65 PolarHBondContact NZ-OE2 3.3Å
32A76.8Confident84.8Confident113 Ų11364.6 Ų64.693%0.93440%0.396SS*.THydrogen-bonded Turntrans-60.5-26-179.100000114N34A32-N34 VanDerWaalsContact C-N 3.32Å
33D77.5Confident85.1Confident113 Ų11363 Ų6360%0.60438%0.377SS*.THydrogen-bonded Turntrans-89.77.8175.768.3-7.7000113.4K31 S35K31-D33 WeakPolarHBondContact CB-OD1 3.21Å; K31-D33 PolarHBondContact O-N 2.94Å; D33-S35 PolarHBondContact O-N 3.17Å; D33-S35 VanDerWaalsContact OD1-CB 3.28Å; D33-S35 WeakPolarHBondContact OD1-CB 3.5Å; D33-S35 PolarHBondContact OD1-N 3.23Å; D33-S35 PolarHBondContact OD1-OG 2.99Å; D33-S35 PolarHBondContact OD2-OG 2.97Å
34N77.8Confident85.5Confident136 Ų13657.7 Ų57.773%0.72735%0.345SS*.SBendtrans67.48.8-173.8-49.9-75000115.6K31 A32K31-N34 WeakPolarHBondContact O-CA 3.43Å; K31-N34 PolarHBondContact O-N 3.3Å; A32-N34 VanDerWaalsContact C-N 3.32Å
35S77.8Confident86.2Confident29 Ų2954.5 Ų54.520%0.20333%0.331CS..  trans-68.6147.3166.564.80000110.4S30 K31 D33S30-S35 WeakPolarHBondContact CA-O 3.34Å; K31-S35 WeakPolarHBondContact CD-OG 3.19Å; K31-S35 PolarHBondContact N-O 3.38Å; D33-S35 PolarHBondContact O-N 3.17Å; D33-S35 VanDerWaalsContact OD1-CB 3.28Å; D33-S35 WeakPolarHBondContact OD1-CB 3.5Å; D33-S35 PolarHBondContact OD1-N 3.23Å; D33-S35 PolarHBondContact OD1-OG 2.99Å; D33-S35 PolarHBondContact OD2-OG 2.97Å
36P81.6Confident86.9Confident29 Ų2953.9 Ų53.919%0.18833%0.326CS..EExtended strand (participates in β ladder)trans-77.4145.1175.730.9-32.8000111.2V28 T88 I92V28-P36 HydrophobicContact CG1-CB 4.06Å; P36-T88 HydrophobicContact CB-CG2 4.13Å; P36-T88 HydrophobicContact CG-CG2 3.85Å; P36-I92 HydrophobicContact CB-CD1 3.71Å; P36-I92 HydrophobicContact CG-CD1 3.92Å
37V86Confident87.7Confident19 Ų1953.5 Ų53.512%0.11533%0.326CS..EExtended strand (participates in β ladder)trans-128.6139.4165670000108.5V28 V29 K31 D41 I42 E65V28-V37 WeakPolarHBondContact CA-O 3.33Å; V29-V37 HydrophobicContact CB-CG1 3.94Å; V29-V37 PolarHBondContact N-O 3Å; V29-V37 WeakPolarHBondContact O-CG1 3.38Å; V29-V37 PolarHBondContact O-N 3.45Å; V29-V37 VanDerWaalsContact O-O 3.14Å; K31-V37 HydrophobicContact CD-CB 4.34Å; K31-V37 HydrophobicContact CG-CB 3.93Å; K31-V37 HydrophobicContact CG-CG1 4.04Å; V37-D41 HydrophobicContact CG2-CB 3.74Å; V37-I42 HydrophobicContact CG2-CD1 4.04Å; V37-I42 HydrophobicContact CG2-CG1 4.27Å; V37-E65 WeakPolarHBondContact CG2-OE2 3.42Å
38T88.8Confident88.4Confident3 Ų348.4 Ų48.42%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-116.9166.8-179.776.40000111.1M26 D27 V28 A40 D41 I42 T88 F91 I92M26-T38 WeakPolarHBondContact O-CB 3.39Å; D27-T38 WeakPolarHBondContact O-CA 3.39Å; V28-T38 HydrophobicContact CG2-CG2 4.09Å; T38-A40 PolarHBondContact O-N 2.92Å; T38-A40 VanDerWaalsContact O-N 3.08Å; T38-A40 VanDerWaalsContact OG1-CB 3.26Å; T38-A40 WeakPolarHBondContact OG1-CB 3.42Å; T38-A40 PolarHBondContact OG1-N 3.09Å; T38-A40 VanDerWaalsContact OG1-N 3.1Å; T38-D41 WeakPolarHBondContact CA-OD2 3.44Å; T38-D41 VanDerWaalsContact CB-OD2 3.24Å; T38-D41 WeakPolarHBondContact CB-OD2 3.39Å; T38-D41 PolarHBondContact N-OD2 3.31Å; T38-D41 PolarHBondContact O-N 3.08Å; T38-D41 VanDerWaalsContact O-N 3.14Å; T38-D41 PolarHBondContact OG1-N 3.01Å; T38-D41 PolarHBondContact OG1-OD2 3.31Å; T38-I42 PolarHBondContact O-N 3.32Å; T38-T88 HydrophobicContact CG2-CG2 3.96Å; T38-F91 HydrophobicContact CG2-CD1 4.2Å; T38-F91 HydrophobicContact CG2-CE1 4.2Å; T38-I92 HydrophobicContact CG2-CD1 4.48Å; T38-I92 HydrophobicContact CG2-CG1 4.28Å
39A90.9Very high89.1Confident32 Ų3245.4 Ų45.426%0.26428%0.28SS..Hα-helixtrans-55.2-23.7168.600000112.8V19 D27 A43V19-A39 HydrophobicContact CG1-CB 4.44Å; V19-A39 HydrophobicContact CG2-CB 4.22Å; D27-A39 HydrophobicContact CB-CB 4.41Å; D27-A39 PolarHBondContact O-N 2.81Å; A39-A43 VanDerWaalsContact O-CB 3.27Å; A39-A43 WeakPolarHBondContact O-CB 3.48Å; A39-A43 PolarHBondContact O-N 3.17Å; A39-A43 VanDerWaalsContact O-N 3.08Å
40A94.5Very high89.8Confident0 Ų045.2 Ų45.20%028%0.276CS..Hα-helixtrans-72.5-43.917700000112.1I16 V19 T38 I42 A43 A44 L85 F91I16-A40 HydrophobicContact CB-CB 4.5Å; I16-A40 HydrophobicContact CG1-CB 4.48Å; I16-A40 HydrophobicContact CG2-CB 4.22Å; V19-A40 HydrophobicContact CB-CB 3.83Å; V19-A40 HydrophobicContact CG1-CB 4.02Å; V19-A40 HydrophobicContact CG2-CB 4.09Å; T38-A40 PolarHBondContact O-N 2.92Å; T38-A40 VanDerWaalsContact O-N 3.08Å; T38-A40 VanDerWaalsContact OG1-CB 3.26Å; T38-A40 WeakPolarHBondContact OG1-CB 3.42Å; T38-A40 PolarHBondContact OG1-N 3.09Å; T38-A40 VanDerWaalsContact OG1-N 3.1Å; A40-I42 VanDerWaalsContact C-N 3.33Å; A40-I42 PolarHBondContact O-N 3.48Å; A40-A43 PolarHBondContact O-N 2.54Å; A40-A44 WeakPolarHBondContact O-CB 3.26Å; A40-A44 PolarHBondContact O-N 3.15Å; A40-L85 HydrophobicContact CB-CD1 3.6Å; A40-F91 HydrophobicContact CB-CE1 4.03Å; A40-F91 HydrophobicContact CB-CE2 3.83Å; A40-F91 HydrophobicContact CB-CZ 3.44Å; A40-F91 VanDerWaalsContact CB-CZ 3.44Å
41D94.6Very high90.6Very high0 Ų042 Ų420%026%0.256CS..Hα-helixtrans-59.2-46.5177.4-53.2-104.5000110.1V37 T38 A44 H45 E65 L85 T88V37-D41 HydrophobicContact CG2-CB 3.74Å; T38-D41 WeakPolarHBondContact CA-OD2 3.44Å; T38-D41 VanDerWaalsContact CB-OD2 3.24Å; T38-D41 WeakPolarHBondContact CB-OD2 3.39Å; T38-D41 PolarHBondContact N-OD2 3.31Å; T38-D41 PolarHBondContact O-N 3.08Å; T38-D41 VanDerWaalsContact O-N 3.14Å; T38-D41 PolarHBondContact OG1-N 3.01Å; T38-D41 PolarHBondContact OG1-OD2 3.31Å; D41-A44 PolarHBondContact O-N 3.44Å; D41-H45 VanDerWaalsContact O-CB 3.24Å; D41-H45 WeakPolarHBondContact O-CB 3.29Å; D41-H45 PolarHBondContact O-N 2.93Å; D41-E65 HydrophobicContact CB-CG 4.49Å; D41-L85 HydrophobicContact CB-CB 4.46Å; D41-L85 WeakPolarHBondContact OD1-CB 3.42Å; D41-T88 PolarHBondContact OD1-OG1 2.8Å
42I94.1Very high91.4Very high86 Ų8639.9 Ų39.944%0.44125%0.247SC..Hα-helixtrans-65.1-43.6178.5-58.6-57.2000111.8V37 T38 A40 H45 T46V37-I42 HydrophobicContact CG2-CD1 4.04Å; V37-I42 HydrophobicContact CG2-CG1 4.27Å; T38-I42 PolarHBondContact O-N 3.32Å; A40-I42 VanDerWaalsContact C-N 3.33Å; A40-I42 PolarHBondContact O-N 3.48Å; I42-H45 PolarHBondContact O-N 2.91Å; I42-T46 PolarHBondContact O-N 3.09Å; I42-T46 PolarHBondContact O-OG1 2.91Å; I42-T46 VanDerWaalsContact O-OG1 3.14Å
43A95.4Very high92.4Very high23 Ų2341 Ų4119%0.1923%0.227CC..Hα-helixtrans-64.2-43.817900000111.8A15 A39 A40 V47A15-A43 HydrophobicContact CB-CB 4.12Å; A39-A43 VanDerWaalsContact O-CB 3.27Å; A39-A43 WeakPolarHBondContact O-CB 3.48Å; A39-A43 PolarHBondContact O-N 3.17Å; A39-A43 VanDerWaalsContact O-N 3.08Å; A40-A43 PolarHBondContact O-N 2.54Å; A43-V47 WeakPolarHBondContact O-CG2 3.3Å; A43-V47 PolarHBondContact O-N 3.38Å
44A97.9Very high93.4Very high0 Ų041.1 Ų41.10%023%0.232CC..Hα-helixtrans-61.9-45.8174.600000111.4A12 I16 A40 D41 T46 V47 I48 P84A12-A44 HydrophobicContact CB-CB 4.36Å; I16-A44 HydrophobicContact CD1-CB 3.8Å; I16-A44 HydrophobicContact CG1-CB 3.67Å; A40-A44 WeakPolarHBondContact O-CB 3.26Å; A40-A44 PolarHBondContact O-N 3.15Å; D41-A44 PolarHBondContact O-N 3.44Å; A44-T46 PolarHBondContact O-N 2.95Å; A44-V47 PolarHBondContact O-N 3.43Å; A44-I48 VanDerWaalsContact O-CG1 3.28Å; A44-I48 WeakPolarHBondContact O-CG1 3.25Å; A44-I48 PolarHBondContact O-N 3.15Å; A44-P84 HydrophobicContact CB-CB 3.69Å; A44-P84 WeakPolarHBondContact CB-O 3.31Å
45H97.7Very high94.3Very high25 Ų2537.5 Ų37.512%0.11621%0.213CC..Hα-helixtrans-55.9-51.1178.2172.880.9000111.3D41 I42 V47 I48 M49 S63 E65 P84D41-H45 VanDerWaalsContact O-CB 3.24Å; D41-H45 WeakPolarHBondContact O-CB 3.29Å; D41-H45 PolarHBondContact O-N 2.93Å; I42-H45 PolarHBondContact O-N 2.91Å; H45-V47 PolarHBondContact O-N 3.35Å; H45-I48 PolarHBondContact O-N 3.32Å; H45-M49 WeakPolarHBondContact CE1-CG 3.24Å; H45-M49 WeakPolarHBondContact O-CB 3.4Å; H45-M49 VanDerWaalsContact O-CG 3.22Å; H45-M49 WeakPolarHBondContact O-CG 3.23Å; H45-M49 PolarHBondContact O-N 3.13Å; H45-S63 PolarHBondContact ND1-OG 2.91Å; H45-E65 HydrophobicContact CB-CB 4.18Å; H45-E65 HydrophobicContact CB-CG 4.08Å; H45-P84 HydrophobicContact CB-CB 4.14Å; H45-P84 HydrophobicContact CB-CG 3.81Å
46T97.8Very high95.3Very high69 Ų6936.6 Ų36.642%0.42321%0.206SC..Hα-helixtrans-57.7-48179.3-58.90000111.7I42 A44 I48 M49 D50I42-T46 PolarHBondContact O-N 3.09Å; I42-T46 PolarHBondContact O-OG1 2.91Å; I42-T46 VanDerWaalsContact O-OG1 3.14Å; A44-T46 PolarHBondContact O-N 2.95Å; T46-I48 PolarHBondContact O-N 2.97Å; T46-M49 PolarHBondContact O-N 2.86Å; T46-D50 WeakPolarHBondContact O-CB 3.47Å; T46-D50 PolarHBondContact O-N 2.95Å
47V98.5Very high96.1Very high45 Ų4540.1 Ų40.127%0.27323%0.229SC..Hα-helixtrans-58.6-47.6179.31710000111.3L8 N11 A12 A15 A43 A44 H45 G51L8-V47 HydrophobicContact CD1-CG1 4.03Å; L8-V47 WeakPolarHBondContact CD1-O 3.36Å; N11-V47 HydrophobicContact CB-CG1 3.76Å; A12-V47 HydrophobicContact CB-CG1 4.3Å; A15-V47 HydrophobicContact CB-CG2 4.19Å; A43-V47 WeakPolarHBondContact O-CG2 3.3Å; A43-V47 PolarHBondContact O-N 3.38Å; A44-V47 PolarHBondContact O-N 3.43Å; H45-V47 PolarHBondContact O-N 3.35Å; V47-G51 PolarHBondContact O-N 3.12Å
48I98.7Very high96.6Very high1 Ų145.8 Ų45.81%0.00525%0.254CS..Hα-helixtrans-67.4-44.6-177.5-62.7166.4000111L8 A12 A44 H45 T46 D50 G51 L52 V82 P84 V100 I102L8-I48 HydrophobicContact CD2-CG2 4.29Å; A12-I48 HydrophobicContact CB-CD1 3.81Å; A12-I48 HydrophobicContact CB-CG1 3.62Å; A44-I48 VanDerWaalsContact O-CG1 3.28Å; A44-I48 WeakPolarHBondContact O-CG1 3.25Å; A44-I48 PolarHBondContact O-N 3.15Å; H45-I48 PolarHBondContact O-N 3.32Å; T46-I48 PolarHBondContact O-N 2.97Å; I48-D50 PolarHBondContact O-N 3.26Å; I48-G51 PolarHBondContact O-N 3.35Å; I48-L52 HydrophobicContact CG2-CD1 3.63Å; I48-L52 HydrophobicContact CG2-CG 4.02Å; I48-L52 WeakPolarHBondContact O-CB 3.2Å; I48-L52 WeakPolarHBondContact O-CG 3.44Å; I48-L52 PolarHBondContact O-N 2.99Å; I48-V82 HydrophobicContact CB-CG1 4.36Å; I48-V82 HydrophobicContact CD1-CG1 3.83Å; I48-V82 HydrophobicContact CG2-CB 4.48Å; I48-V82 HydrophobicContact CG2-CG1 3.7Å; I48-V82 HydrophobicContact CG2-CG2 3.94Å; I48-P84 HydrophobicContact CD1-CB 4.11Å; I48-V100 HydrophobicContact CD1-CG1 3.64Å; I48-I102 HydrophobicContact CD1-CD1 4.32Å; I48-I102 HydrophobicContact CD1-CG1 4.43Å; I48-I102 HydrophobicContact CG1-CD1 4.22Å; I48-I102 HydrophobicContact CG2-CD1 4.02Å; I48-I102 HydrophobicContact CG2-CG1 4.3Å
49M98.2Very high97.1Very high11 Ų1146.5 Ų46.55%0.05426%0.257CS..Hα-helixtrans-61.1-46.6180-71.3-60.3-7000111.8H45 T46 G51 R53 V61H45-M49 WeakPolarHBondContact CE1-CG 3.24Å; H45-M49 WeakPolarHBondContact O-CB 3.4Å; H45-M49 VanDerWaalsContact O-CG 3.22Å; H45-M49 WeakPolarHBondContact O-CG 3.23Å; H45-M49 PolarHBondContact O-N 3.13Å; T46-M49 PolarHBondContact O-N 2.86Å; M49-G51 VanDerWaalsContact C-N 3.35Å; M49-R53 VanDerWaalsContact CE-NH2 3.25Å; M49-R53 VanDerWaalsContact O-CB 3.28Å; M49-R53 WeakPolarHBondContact O-CB 3.46Å; M49-R53 WeakPolarHBondContact O-CG 3.29Å; M49-R53 PolarHBondContact O-N 3.38Å; M49-V61 HydrophobicContact CE-CB 4.04Å; M49-V61 HydrophobicContact CE-CG1 4.27Å; M49-V61 HydrophobicContact SD-CB 3.91Å; M49-V61 HydrophobicContact SD-CG1 3.48Å; M49-V61 WeakPolarHBondContact SD-CG1 3.01Å
50D98.2Very high97.4Very high88 Ų8846.9 Ų46.947%0.47126%0.257SS..Hα-helixtrans-64.7-41.6178.2-71.6-14.5000111.3T46 I48 T54T46-D50 WeakPolarHBondContact O-CB 3.47Å; T46-D50 PolarHBondContact O-N 2.95Å; I48-D50 PolarHBondContact O-N 3.26Å; D50-T54 WeakPolarHBondContact O-CB 3.34Å; D50-T54 PolarHBondContact O-N 3.01Å; D50-T54 VanDerWaalsContact O-N 3.09Å; D50-T54 PolarHBondContact O-OG1 3.13Å
51G98.5Very high97.6Very high16 Ų1647.7 Ų47.717%0.16526%0.262CS..Hα-helixtrans-63.4-49.4177.400000112.9V47 I48 M49 T54 L55V47-G51 PolarHBondContact O-N 3.12Å; I48-G51 PolarHBondContact O-N 3.35Å; M49-G51 VanDerWaalsContact C-N 3.35Å; G51-T54 PolarHBondContact O-N 2.97Å; G51-L55 WeakPolarHBondContact O-CB 3.44Å; G51-L55 VanDerWaalsContact O-CG 3.23Å; G51-L55 WeakPolarHBondContact O-CG 3.25Å; G51-L55 PolarHBondContact O-N 2.81Å
52L98.5Very high97.8Very high0 Ų047.8 Ų47.80%026%0.263CS..Hα-helixtrans-67.2-41.2-179.6-70.5178.9000112.4L8 I48 T54 L55 T56 V61 W80 V82 I102L8-L52 HydrophobicContact CD2-CD2 3.79Å; L8-L52 HydrophobicContact CD2-CG 3.73Å; I48-L52 HydrophobicContact CG2-CD1 3.63Å; I48-L52 HydrophobicContact CG2-CG 4.02Å; I48-L52 WeakPolarHBondContact O-CB 3.2Å; I48-L52 WeakPolarHBondContact O-CG 3.44Å; I48-L52 PolarHBondContact O-N 2.99Å; L52-T54 PolarHBondContact O-N 2.83Å; L52-L55 PolarHBondContact O-N 3.06Å; L52-T56 PolarHBondContact O-N 3.44Å; L52-T56 PolarHBondContact O-OG1 2.89Å; L52-V61 HydrophobicContact CB-CG2 3.92Å; L52-V61 HydrophobicContact CD1-CG1 3.91Å; L52-V61 HydrophobicContact CD1-CG2 4.07Å; L52-W80 HydrophobicContact CD1-CB 3.77Å; L52-W80 HydrophobicContact CD1-CD2 4.21Å; L52-W80 HydrophobicContact CD1-CG 3.81Å; L52-W80 HydrophobicContact CD2-CD2 3.74Å; L52-W80 HydrophobicContact CD2-CE3 4.07Å; L52-W80 HydrophobicContact CD2-CG 4.07Å; L52-W80 HydrophobicContact CD2-CZ2 4.23Å; L52-W80 HydrophobicContact CD2-CZ3 4.45Å; L52-W80 HydrophobicContact CG-CG 4.41Å; L52-V82 HydrophobicContact CD1-CG2 3.68Å; L52-I102 HydrophobicContact CD1-CG2 4.41Å; L52-I102 HydrophobicContact CD2-CG2 4.43Å
53R97.5Very high97.9Very high136 Ų13643.8 Ų43.851%0.51324%0.242SC..Hα-helixtrans-62.5-29.3174.7-74.3172.5177.4160.8-0.2112.4M49 P57M49-R53 VanDerWaalsContact CE-NH2 3.25Å; M49-R53 VanDerWaalsContact O-CB 3.28Å; M49-R53 WeakPolarHBondContact O-CB 3.46Å; M49-R53 WeakPolarHBondContact O-CG 3.29Å; M49-R53 PolarHBondContact O-N 3.38Å; R53-P57 VanDerWaalsContact O-CA 3.3Å; R53-P57 WeakPolarHBondContact O-CA 3.21Å; R53-P57 WeakPolarHBondContact O-CB 3.44Å
54T98Very high98Very high116 Ų11644.2 Ų44.271%0.71224%0.24SC*.Hα-helixtrans-79.5-42.7175-57.80000111.8D50 G51 L52D50-T54 WeakPolarHBondContact O-CB 3.34Å; D50-T54 PolarHBondContact O-N 3.01Å; D50-T54 VanDerWaalsContact O-N 3.09Å; D50-T54 PolarHBondContact O-OG1 3.13Å; G51-T54 PolarHBondContact O-N 2.97Å; L52-T54 PolarHBondContact O-N 2.83Å
55L97.9Very high97.8Very high60 Ų6045.9 Ų45.931%0.31425%0.248SC..Hα-helixtrans-71.8-39.2-175.7-73.8173.5000113Q4 L8 G51 L52Q4-L55 HydrophobicContact CB-CD1 3.94Å; Q4-L55 HydrophobicContact CB-CD2 3.76Å; Q4-L55 HydrophobicContact CG-CD2 4.13Å; Q4-L55 VanDerWaalsContact NE2-CD2 3.25Å; L8-L55 HydrophobicContact CD2-CD1 4.38Å; G51-L55 WeakPolarHBondContact O-CB 3.44Å; G51-L55 VanDerWaalsContact O-CG 3.23Å; G51-L55 WeakPolarHBondContact O-CG 3.25Å; G51-L55 PolarHBondContact O-N 2.81Å; L52-L55 PolarHBondContact O-N 3.06Å
56T97.8Very high97.6Very high9 Ų949.2 Ų49.26%0.05527%0.267CS..  trans-144.871.3-175.7560000109.5M1 L52 E58 I59 W80M1-T56 HydrophobicContact CE-CG2 4.4Å; L52-T56 PolarHBondContact O-N 3.44Å; L52-T56 PolarHBondContact O-OG1 2.89Å; T56-E58 VanDerWaalsContact C-OE2 3.26Å; T56-E58 WeakPolarHBondContact CA-OE2 3.47Å; T56-E58 PolarHBondContact O-N 3.49Å; T56-I59 HydrophobicContact CG2-CD1 4.01Å; T56-I59 PolarHBondContact O-N 2.73Å; T56-W80 HydrophobicContact CG2-CZ2 4.23Å; T56-W80 PolarHBondContact OG1-NE1 3.34Å
57P97.5Very high97.4Very high103 Ų10348.2 Ų48.267%0.66926%0.262SS*.THydrogen-bonded Turntrans-58.6-21.6-176.223.8-34.8000114.1R53R53-P57 VanDerWaalsContact O-CA 3.3Å; R53-P57 WeakPolarHBondContact O-CA 3.21Å; R53-P57 WeakPolarHBondContact O-CB 3.44Å
58E97.7Very high97.2Very high139 Ų13947.7 Ų47.765%0.6526%0.259SS*.THydrogen-bonded Turntrans-83.1-15.3178.775.5-70.8173.200114.3T56T56-E58 VanDerWaalsContact C-OE2 3.26Å; T56-E58 WeakPolarHBondContact CA-OE2 3.47Å; T56-E58 PolarHBondContact O-N 3.49Å
59I98.3Very high97.1Very high17 Ų1749.5 Ų49.59%0.08728%0.278CS..SBendtrans-100.7116.7-178-56.3-178.2000108.9T56 R78 W80 L104T56-I59 HydrophobicContact CG2-CD1 4.01Å; T56-I59 PolarHBondContact O-N 2.73Å; I59-R78 HydrophobicContact CD1-CG 4.35Å; I59-R78 HydrophobicContact CG2-CG 4.32Å; I59-W80 VanDerWaalsContact CG2-CD1 3.45Å; I59-W80 HydrophobicContact CG2-CG 4.24Å; I59-L104 HydrophobicContact CD1-CD1 4.16Å; I59-L104 HydrophobicContact CG2-CD1 4.02Å
60P98.2Very high97.1Very high41 Ų4152.2 Ų52.227%0.26629%0.287SS..  trans-67.5158.8178.529.5-34.9000111.6W76 R78 Y79 W80P60-W76 HydrophobicContact CB-CD2 4.04Å; P60-W76 HydrophobicContact CB-CE3 4.24Å; P60-W76 HydrophobicContact CB-CH2 3.65Å; P60-W76 HydrophobicContact CB-CZ2 3.45Å; P60-W76 VanDerWaalsContact CB-CZ2 3.45Å; P60-W76 HydrophobicContact CB-CZ3 4.05Å; P60-W76 HydrophobicContact CG-CD2 3.61Å; P60-W76 HydrophobicContact CG-CE3 3.99Å; P60-W76 HydrophobicContact CG-CG 3.96Å; P60-W76 HydrophobicContact CG-CH2 4.3Å; P60-W76 HydrophobicContact CG-CZ2 4Å; P60-W76 HydrophobicContact CG-CZ3 4.29Å; P60-R78 WeakPolarHBondContact CD-O 3.48Å; P60-Y79 CarbonylContact O-C 3.56Å; P60-Y79 VanDerWaalsContact O-CA 3.32Å; P60-Y79 WeakPolarHBondContact O-CA 3.29Å; P60-Y79 WeakPolarHBondContact O-CB 3.39Å; P60-W80 PolarHBondContact O-N 2.69Å
61V98.2Very high97Very high16 Ų1654.5 Ų54.510%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-120.5132.2-177.7-1720000109.7M49 L52 W80 V82M49-V61 HydrophobicContact CE-CB 4.04Å; M49-V61 HydrophobicContact CE-CG1 4.27Å; M49-V61 HydrophobicContact SD-CB 3.91Å; M49-V61 HydrophobicContact SD-CG1 3.48Å; M49-V61 WeakPolarHBondContact SD-CG1 3.01Å; L52-V61 HydrophobicContact CB-CG2 3.92Å; L52-V61 HydrophobicContact CD1-CG1 3.91Å; L52-V61 HydrophobicContact CD1-CG2 4.07Å; V61-W80 HydrophobicContact CB-CB 4.29Å; V61-W80 HydrophobicContact CG1-CB 4.01Å; V61-W80 HydrophobicContact CG2-CB 4.06Å; V61-W80 HydrophobicContact CG2-CG 4.42Å; V61-V82 HydrophobicContact CG1-CG2 3.93Å
62L98.2Very high96.9Very high3 Ų357.9 Ų57.92%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-109108.2167.7178.256.2000107.9P67 P68 W76 Y79 W80 L81 V82 I203 F236L62-P67 HydrophobicContact CD1-CB 3.68Å; L62-P68 HydrophobicContact CD1-CG 4.48Å; L62-W76 HydrophobicContact CB-CZ3 4.09Å; L62-Y79 HydrophobicContact CB-CD2 4Å; L62-Y79 HydrophobicContact CB-CE2 4.13Å; L62-Y79 HydrophobicContact CD2-CE2 3.99Å; L62-W80 PolarHBondContact N-O 2.9Å; L62-L81 HydrophobicContact CB-CD1 4.04Å; L62-L81 HydrophobicContact CD2-CD1 3.81Å; L62-L81 HydrophobicContact CG-CD1 3.77Å; L62-L81 WeakPolarHBondContact O-CA 3.26Å; L62-V82 PolarHBondContact O-N 3.41Å; L62-I203 HydrophobicContact CD2-CD1 3.76Å; L62-F236 HydrophobicContact CD1-CE1 3.99Å; L62-F236 HydrophobicContact CD1-CZ 4.36Å; L62-F236 HydrophobicContact CD2-CD1 4.42Å; L62-F236 HydrophobicContact CD2-CE1 4.01Å
63S97.8Very high96.9Very high1 Ų158.3 Ų58.31%0.00731%0.314CS..EExtended strand (participates in β ladder)trans-110.6144.9175.6-178.20000110.3H45 E65 D66 V82 P84H45-S63 PolarHBondContact ND1-OG 2.91Å; S63-E65 PolarHBondContact O-N 3.12Å; S63-D66 CarbonylContact O-C 3.52Å; S63-D66 PolarHBondContact O-N 2.93Å; S63-V82 WeakPolarHBondContact CA-O 3.43Å; S63-P84 WeakPolarHBondContact OG-CG 3.29Å
64E96.6Very high96.9Very high32 Ų3255.4 Ų55.415%0.1531%0.306CS..THydrogen-bonded Turntrans-48.9-41172.6177.7171.5165.900113.4K31 P67 V82 W204K31-E64 IonicContact NZ-OE1 3.01Å; K31-E64 PolarHBondContact NZ-OE1 2.72Å; E64-P67 WeakPolarHBondContact O-CD 3.37Å; E64-V82 PolarHBondContact N-O 2.64Å; E64-W204 HydrophobicContact CB-CD2 3.97Å; E64-W204 HydrophobicContact CB-CG 4.11Å; E64-W204 HydrophobicContact CB-CZ2 4.16Å; E64-W204 VanDerWaalsContact CD-NE1 3.31Å; E64-W204 HydrophobicContact CG-CD2 4.46Å; E64-W204 HydrophobicContact CG-CZ2 3.8Å; E64-W204 VanDerWaalsContact OE2-CD1 3.23Å; E64-W204 PolarHBondContact OE2-NE1 2.97Å
65E94Very high96.8Very high36 Ų3656.3 Ų56.317%0.16830%0.302CS..THydrogen-bonded Turntrans-81-18.6-171.9-58-53143.600114.6K31 V37 D41 H45 S63 P84K31-E65 WeakPolarHBondContact CE-OE2 3.47Å; K31-E65 IonicContact NZ-OE1 2.79Å; K31-E65 PolarHBondContact NZ-OE1 3.12Å; K31-E65 IonicContact NZ-OE2 2.71Å; K31-E65 PolarHBondContact NZ-OE2 3.3Å; V37-E65 WeakPolarHBondContact CG2-OE2 3.42Å; D41-E65 HydrophobicContact CB-CG 4.49Å; H45-E65 HydrophobicContact CB-CB 4.18Å; H45-E65 HydrophobicContact CB-CG 4.08Å; S63-E65 PolarHBondContact O-N 3.12Å; E65-P84 HydrophobicContact CG-CG 4.12Å
66D93.4Very high96.8Very high94 Ų9455.2 Ų55.250%0.50329%0.294SS..BIsolated β-bridgetrans-14766.7178.6-172.728.4000110.5S63 P68S63-D66 CarbonylContact O-C 3.52Å; S63-D66 PolarHBondContact O-N 2.93Å; D66-P68 WeakPolarHBondContact O-CD 3.48Å
67P94.3Very high96.8Very high49 Ų4959.4 Ų59.432%0.31831%0.313SS..PPolyproline II helixtrans-77.7121.2-177.929.9-31.9000110L62 E64 F236L62-P67 HydrophobicContact CD1-CB 3.68Å; E64-P67 WeakPolarHBondContact O-CD 3.37Å; P67-F236 HydrophobicContact CB-CE2 4.02Å; P67-F236 HydrophobicContact CB-CZ 3.72Å; P67-F236 HydrophobicContact CG-CE2 4.31Å; P67-F236 HydrophobicContact CG-CZ 4.47Å
68P94.7Very high96.9Very high34 Ų3460.1 Ų60.122%0.22130%0.303CS..PPolyproline II helixtrans-64.1153.9176.623.7-32.3000112.1L62 D66 V72 R73 W76L62-P68 HydrophobicContact CD1-CG 4.48Å; D66-P68 WeakPolarHBondContact O-CD 3.48Å; P68-V72 HydrophobicContact CB-CB 4.19Å; P68-V72 HydrophobicContact CB-CG1 4.22Å; P68-R73 WeakPolarHBondContact O-CD 3.45Å; P68-R73 PolarHBondContact O-NE 3.43Å; P68-W76 HydrophobicContact CG-CH2 3.55Å; P68-W76 HydrophobicContact CG-CZ2 4.19Å; P68-W76 HydrophobicContact CG-CZ3 4.33Å
69G95.8Very high96.9Very high39 Ų3953.6 Ų53.640%0.40227%0.272SS..PPolyproline II helixtrans-54.7154.6175.700000112.9E71 V72 R73G69-E71 PolarHBondContact O-N 3.26Å; G69-V72 PolarHBondContact O-N 3.04Å; G69-V72 VanDerWaalsContact O-N 3.11Å; G69-R73 PolarHBondContact O-N 3.2Å
70W97.3Very high97Very high67 Ų6752.8 Ų52.825%0.25427%0.268SS..Hα-helixtrans-53.8-39.8-178.2169.6-129.6000112.2V72 R73 Q74 P232 R233 E234W70-V72 PolarHBondContact O-N 3.23Å; W70-V72 VanDerWaalsContact O-N 3.13Å; W70-R73 HydrophobicContact CE3-CG 3.99Å; W70-R73 HydrophobicContact CZ3-CG 4.48Å; W70-R73 PolarHBondContact O-N 2.88Å; W70-R73 VanDerWaalsContact O-N 3.13Å; W70-Q74 HydrophobicContact CD2-CB 3.84Å; W70-Q74 HydrophobicContact CE3-CB 3.83Å; W70-Q74 HydrophobicContact CH2-CB 3.4Å; W70-Q74 HydrophobicContact CZ2-CB 3.41Å; W70-Q74 VanDerWaalsContact CZ2-CB 3.41Å; W70-Q74 VanDerWaalsContact CZ3-CA 3.42Å; W70-Q74 HydrophobicContact CZ3-CB 3.61Å; W70-Q74 WeakPolarHBondContact O-CB 3.39Å; W70-Q74 PolarHBondContact O-N 2.89Å; W70-P232 WeakPolarHBondContact CH2-O 3.49Å; W70-P232 VanDerWaalsContact CZ3-C 3.47Å; W70-P232 HydrophobicContact CZ3-CB 3.88Å; W70-R233 VanDerWaalsContact CZ3-CA 3.47Å; W70-E234 HydrophobicContact CB-CG 4.2Å; W70-E234 HydrophobicContact CD2-CG 3.72Å; W70-E234 HydrophobicContact CE3-CG 4.45Å; W70-E234 HydrophobicContact CG-CG 3.56Å
71E97.3Very high97Very high136 Ų13651 Ų5164%0.63626%0.256SS*.Hα-helixtrans-59.3-30.4-176.6-60.775.2-165.800112.7G69 Q74G69-E71 PolarHBondContact O-N 3.26Å; E71-Q74 PolarHBondContact O-NE2 3.34Å
72V96.9Very high97Very high87 Ų8750.2 Ų50.253%0.52725%0.251SS..Hα-helixtrans-80.4-42.7180179.70000110.9P68 G69 W70 W76P68-V72 HydrophobicContact CB-CB 4.19Å; P68-V72 HydrophobicContact CB-CG1 4.22Å; G69-V72 PolarHBondContact O-N 3.04Å; G69-V72 VanDerWaalsContact O-N 3.11Å; W70-V72 PolarHBondContact O-N 3.23Å; W70-V72 VanDerWaalsContact O-N 3.13Å; V72-W76 HydrophobicContact CG1-CZ2 3.87Å; V72-W76 PolarHBondContact O-NE1 2.97Å
73R97.2Very high97Very high9 Ų950.1 Ų50.13%0.03425%0.251CS..Hα-helixtrans-94-15.2-169.265.5-167.9178.981.12.3115.2P68 G69 W70 H75 W76 P232 R233 E234P68-R73 WeakPolarHBondContact O-CD 3.45Å; P68-R73 PolarHBondContact O-NE 3.43Å; G69-R73 PolarHBondContact O-N 3.2Å; W70-R73 HydrophobicContact CE3-CG 3.99Å; W70-R73 HydrophobicContact CZ3-CG 4.48Å; W70-R73 PolarHBondContact O-N 2.88Å; W70-R73 VanDerWaalsContact O-N 3.13Å; R73-H75 PolarHBondContact O-N 3.36Å; R73-W76 HydrophobicContact CB-CD2 3.75Å; R73-W76 HydrophobicContact CB-CE3 3.7Å; R73-W76 HydrophobicContact CB-CG 4.41Å; R73-W76 HydrophobicContact CB-CH2 4.1Å; R73-W76 HydrophobicContact CB-CZ2 4.09Å; R73-W76 HydrophobicContact CB-CZ3 3.9Å; R73-W76 WeakPolarHBondContact O-CB 3.41Å; R73-W76 PolarHBondContact O-N 2.84Å; R73-P232 VanDerWaalsContact O-CB 3.25Å; R73-P232 WeakPolarHBondContact O-CB 3.32Å; R73-P232 WeakPolarHBondContact O-CG 3.22Å; R73-R233 VanDerWaalsContact CZ-O 3.22Å; R73-R233 PolarHBondContact NH1-O 2.76Å; R73-R233 PolarHBondContact NH2-O 3.25Å; R73-E234 PolarHBondContact NH2-O 3.09Å
74Q97.4Very high97Very high75 Ų7550.1 Ų50.135%0.3525%0.25SS..THydrogen-bonded Turntrans-56.1-22.3-178.161.5176.9-40.300115.1W70 E71W70-Q74 HydrophobicContact CD2-CB 3.84Å; W70-Q74 HydrophobicContact CE3-CB 3.83Å; W70-Q74 HydrophobicContact CH2-CB 3.4Å; W70-Q74 HydrophobicContact CZ2-CB 3.41Å; W70-Q74 VanDerWaalsContact CZ2-CB 3.41Å; W70-Q74 VanDerWaalsContact CZ3-CA 3.42Å; W70-Q74 HydrophobicContact CZ3-CB 3.61Å; W70-Q74 WeakPolarHBondContact O-CB 3.39Å; W70-Q74 PolarHBondContact O-N 2.89Å; E71-Q74 PolarHBondContact O-NE2 3.34Å
75H96.7Very high97.1Very high135 Ų13548.6 Ų48.663%0.62524%0.243SC*.THydrogen-bonded Turntrans-101.4-1.7-178.6-56.4-48.2000113.5R73 Q77R73-H75 PolarHBondContact O-N 3.36Å; H75-Q77 PolarHBondContact O-N 2.91Å
76W98.2Very high97.2Very high38 Ų3847.8 Ų47.814%0.14424%0.24CC..  trans-71133.3-176.6-62.5-5.2000111P60 L62 P68 V72 R73 Y79 P232P60-W76 HydrophobicContact CB-CD2 4.04Å; P60-W76 HydrophobicContact CB-CE3 4.24Å; P60-W76 HydrophobicContact CB-CH2 3.65Å; P60-W76 HydrophobicContact CB-CZ2 3.45Å; P60-W76 VanDerWaalsContact CB-CZ2 3.45Å; P60-W76 HydrophobicContact CB-CZ3 4.05Å; P60-W76 HydrophobicContact CG-CD2 3.61Å; P60-W76 HydrophobicContact CG-CE3 3.99Å; P60-W76 HydrophobicContact CG-CG 3.96Å; P60-W76 HydrophobicContact CG-CH2 4.3Å; P60-W76 HydrophobicContact CG-CZ2 4Å; P60-W76 HydrophobicContact CG-CZ3 4.29Å; L62-W76 HydrophobicContact CB-CZ3 4.09Å; P68-W76 HydrophobicContact CG-CH2 3.55Å; P68-W76 HydrophobicContact CG-CZ2 4.19Å; P68-W76 HydrophobicContact CG-CZ3 4.33Å; V72-W76 HydrophobicContact CG1-CZ2 3.87Å; V72-W76 PolarHBondContact O-NE1 2.97Å; R73-W76 HydrophobicContact CB-CD2 3.75Å; R73-W76 HydrophobicContact CB-CE3 3.7Å; R73-W76 HydrophobicContact CB-CG 4.41Å; R73-W76 HydrophobicContact CB-CH2 4.1Å; R73-W76 HydrophobicContact CB-CZ2 4.09Å; R73-W76 HydrophobicContact CB-CZ3 3.9Å; R73-W76 WeakPolarHBondContact O-CB 3.41Å; R73-W76 PolarHBondContact O-N 2.84Å; W76-Y79 HydrophobicContact CB-CD1 4.14Å; W76-Y79 HydrophobicContact CE3-CD1 4.3Å; W76-Y79 HydrophobicContact CE3-CD2 4.06Å; W76-Y79 AromaticContact CE3-CG 3.75Å; W76-Y79 HydrophobicContact CE3-CG 3.75Å; W76-Y79 HydrophobicContact CZ3-CD2 4.32Å; W76-Y79 HydrophobicContact CZ3-CG 4.37Å; W76-P232 HydrophobicContact CB-CG 4.06Å; W76-P232 WeakPolarHBondContact O-CG 3.5Å
77Q98Very high97.2Very high97 Ų9743.8 Ų43.845%0.45322%0.221SC..SBendtrans-107.4-34.6170.8-63.8-60-47.800111.1H75 D106 H107H75-Q77 PolarHBondContact O-N 2.91Å; Q77-D106 CarbonylContact O-C 3.55Å; Q77-D106 WeakPolarHBondContact O-CA 3.31Å; Q77-H107 PolarHBondContact O-N 3.31Å; Q77-H107 PolarHBondContact OE1-ND1 3.31Å
78R98.6Very high97Very high118 Ų11842.2 Ų42.245%0.44521%0.211SC..EExtended strand (participates in β ladder)trans-127.4126177-176.3172.8-68.7-172.4-3.9109.8I59 P60 L104 I105 D106I59-R78 HydrophobicContact CD1-CG 4.35Å; I59-R78 HydrophobicContact CG2-CG 4.32Å; P60-R78 WeakPolarHBondContact CD-O 3.48Å; R78-L104 HydrophobicContact CG-CD1 3.91Å; R78-I105 VanDerWaalsContact CA-O 3.22Å; R78-I105 WeakPolarHBondContact CA-O 3.41Å; R78-I105 WeakPolarHBondContact CG-O 3.43Å; R78-D106 IonicContact CZ-OD1 3.25Å; R78-D106 VanDerWaalsContact CZ-OD1 3.25Å; R78-D106 IonicContact CZ-OD2 3.91Å; R78-D106 IonicContact NE-OD1 2.77Å; R78-D106 PolarHBondContact NE-OD1 2.76Å; R78-D106 IonicContact NH2-OD1 2.9Å; R78-D106 PolarHBondContact NH2-OD1 3.01Å; R78-D106 IonicContact NH2-OD2 2.93Å; R78-D106 PolarHBondContact NH2-OD2 3.29Å
79Y98.7Very high96.7Very high1 Ų145.9 Ų45.90%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-158.9154.2-178.267.4-82.3000110.8P60 L62 W76 L81 I105 Y230 P232P60-Y79 CarbonylContact O-C 3.56Å; P60-Y79 VanDerWaalsContact O-CA 3.32Å; P60-Y79 WeakPolarHBondContact O-CA 3.29Å; P60-Y79 WeakPolarHBondContact O-CB 3.39Å; L62-Y79 HydrophobicContact CB-CD2 4Å; L62-Y79 HydrophobicContact CB-CE2 4.13Å; L62-Y79 HydrophobicContact CD2-CE2 3.99Å; W76-Y79 HydrophobicContact CB-CD1 4.14Å; W76-Y79 HydrophobicContact CE3-CD1 4.3Å; W76-Y79 HydrophobicContact CE3-CD2 4.06Å; W76-Y79 AromaticContact CE3-CG 3.75Å; W76-Y79 HydrophobicContact CE3-CG 3.75Å; W76-Y79 HydrophobicContact CZ3-CD2 4.32Å; W76-Y79 HydrophobicContact CZ3-CG 4.37Å; Y79-L81 HydrophobicContact CD2-CB 4.44Å; Y79-L81 HydrophobicContact CE2-CB 3.99Å; Y79-L81 HydrophobicContact CE2-CD1 4.34Å; Y79-L81 HydrophobicContact CE2-CD2 4.41Å; Y79-L81 HydrophobicContact CE2-CG 4.5Å; Y79-I105 HydrophobicContact CD1-CB 3.97Å; Y79-I105 HydrophobicContact CD1-CG2 4.25Å; Y79-I105 HydrophobicContact CD2-CG1 4.48Å; Y79-I105 HydrophobicContact CE1-CB 3.65Å; Y79-I105 HydrophobicContact CE1-CG1 4.11Å; Y79-I105 HydrophobicContact CE1-CG2 3.58Å; Y79-I105 HydrophobicContact CE2-CB 4.32Å; Y79-I105 HydrophobicContact CE2-CG1 3.94Å; Y79-I105 HydrophobicContact CG-CB 4.43Å; Y79-I105 PolarHBondContact N-O 3.43Å; Y79-I105 VanDerWaalsContact N-O 3.14Å; Y79-I105 PolarHBondContact O-N 3.07Å; Y79-Y230 PolarHBondContact OH-O 2.85Å; Y79-P232 HydrophobicContact CE1-CG 3.97Å
80W98.8Very high96.6Very high1 Ų144.7 Ų44.70%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-81.4136.9169.6-67.6104.2000110.4M1 V5 L52 T56 I59 P60 V61 L62 I102 A103 L104 L112M1-W80 HydrophobicContact SD-CH2 3.94Å; M1-W80 HydrophobicContact SD-CZ2 4.11Å; V5-W80 HydrophobicContact CG1-CZ3 4.44Å; V5-W80 HydrophobicContact CG2-CH2 3.7Å; V5-W80 HydrophobicContact CG2-CZ2 4.49Å; V5-W80 HydrophobicContact CG2-CZ3 4.12Å; L52-W80 HydrophobicContact CD1-CB 3.77Å; L52-W80 HydrophobicContact CD1-CD2 4.21Å; L52-W80 HydrophobicContact CD1-CG 3.81Å; L52-W80 HydrophobicContact CD2-CD2 3.74Å; L52-W80 HydrophobicContact CD2-CE3 4.07Å; L52-W80 HydrophobicContact CD2-CG 4.07Å; L52-W80 HydrophobicContact CD2-CZ2 4.23Å; L52-W80 HydrophobicContact CD2-CZ3 4.45Å; L52-W80 HydrophobicContact CG-CG 4.41Å; T56-W80 HydrophobicContact CG2-CZ2 4.23Å; T56-W80 PolarHBondContact OG1-NE1 3.34Å; I59-W80 VanDerWaalsContact CG2-CD1 3.45Å; I59-W80 HydrophobicContact CG2-CG 4.24Å; P60-W80 PolarHBondContact O-N 2.69Å; V61-W80 HydrophobicContact CB-CB 4.29Å; V61-W80 HydrophobicContact CG1-CB 4.01Å; V61-W80 HydrophobicContact CG2-CB 4.06Å; V61-W80 HydrophobicContact CG2-CG 4.42Å; L62-W80 PolarHBondContact N-O 2.9Å; W80-I102 HydrophobicContact CE3-CG2 3.82Å; W80-I102 HydrophobicContact CZ3-CG2 4.04Å; W80-A103 CarbonylContact C-O 3.55Å; W80-A103 WeakPolarHBondContact CA-O 3.26Å; W80-L104 HydrophobicContact CD2-CD1 3.99Å; W80-L104 HydrophobicContact CE3-CB 3.92Å; W80-L104 HydrophobicContact CE3-CD1 4.26Å; W80-L104 HydrophobicContact CG-CD1 4.47Å; W80-L104 HydrophobicContact CH2-CB 3.89Å; W80-L104 HydrophobicContact CH2-CD1 4.38Å; W80-L104 HydrophobicContact CH2-CD2 4.23Å; W80-L104 HydrophobicContact CH2-CG 4.4Å; W80-L104 HydrophobicContact CZ2-CB 4.49Å; W80-L104 HydrophobicContact CZ2-CD1 4.13Å; W80-L104 HydrophobicContact CZ2-CD2 4.35Å; W80-L104 HydrophobicContact CZ3-CB 3.6Å; W80-L104 HydrophobicContact CZ3-CD1 4.46Å; W80-L104 HydrophobicContact CZ3-CG 4.47Å; W80-L112 HydrophobicContact CH2-CD2 4.31Å; W80-L112 HydrophobicContact CZ3-CD2 3.99Å
81L98.8Very high96.4Very high2 Ų241.5 Ų41.51%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-120.1122.1175.9-176.953.5000109.1L62 Y79 A103 I105 I203 W204 A207 Y230L62-L81 HydrophobicContact CB-CD1 4.04Å; L62-L81 HydrophobicContact CD2-CD1 3.81Å; L62-L81 HydrophobicContact CG-CD1 3.77Å; L62-L81 WeakPolarHBondContact O-CA 3.26Å; Y79-L81 HydrophobicContact CD2-CB 4.44Å; Y79-L81 HydrophobicContact CE2-CB 3.99Å; Y79-L81 HydrophobicContact CE2-CD1 4.34Å; Y79-L81 HydrophobicContact CE2-CD2 4.41Å; Y79-L81 HydrophobicContact CE2-CG 4.5Å; L81-A103 PolarHBondContact N-O 2.95Å; L81-A103 PolarHBondContact O-N 3.41Å; L81-I105 HydrophobicContact CB-CD1 4.39Å; L81-I105 HydrophobicContact CB-CG1 3.91Å; L81-I105 HydrophobicContact CD2-CD1 4.27Å; L81-I105 HydrophobicContact CD2-CG1 4.18Å; L81-I203 HydrophobicContact CD1-CD1 3.97Å; L81-I203 HydrophobicContact CD1-CG1 4.12Å; L81-I203 HydrophobicContact CD2-CB 3.9Å; L81-I203 HydrophobicContact CD2-CD1 4Å; L81-I203 HydrophobicContact CD2-CG1 4.03Å; L81-W204 HydrophobicContact CD1-CB 3.86Å; L81-W204 HydrophobicContact CD1-CE3 4.32Å; L81-W204 HydrophobicContact CG-CB 4.16Å; L81-A207 HydrophobicContact CB-CB 4.47Å; L81-A207 HydrophobicContact CD2-CB 3.57Å; L81-A207 HydrophobicContact CG-CB 4.14Å; L81-Y230 HydrophobicContact CD2-CD1 3.93Å
82V98.8Very high96Very high0 Ų038 Ų380%018%0.18CC..EExtended strand (participates in β ladder)trans-132127.7-165.4179.40000110.9I48 L52 V61 L62 S63 E64 P84 N101 I102I48-V82 HydrophobicContact CB-CG1 4.36Å; I48-V82 HydrophobicContact CD1-CG1 3.83Å; I48-V82 HydrophobicContact CG2-CB 4.48Å; I48-V82 HydrophobicContact CG2-CG1 3.7Å; I48-V82 HydrophobicContact CG2-CG2 3.94Å; L52-V82 HydrophobicContact CD1-CG2 3.68Å; V61-V82 HydrophobicContact CG1-CG2 3.93Å; L62-V82 PolarHBondContact O-N 3.41Å; S63-V82 WeakPolarHBondContact CA-O 3.43Å; E64-V82 PolarHBondContact N-O 2.64Å; V82-P84 HydrophobicContact CG1-CG 4.02Å; V82-N101 WeakPolarHBondContact CA-O 3.34Å; V82-I102 HydrophobicContact CG2-CG2 4.33Å
83D98.4Very high95.8Very high2 Ų240.3 Ų40.31%0.01118%0.183CC..EExtended strand (participates in β ladder)trans-108.7107156.6-172.7-19.8000107.5L85 D86 N101 W204D83-L85 PolarHBondContact O-N 2.77Å; D83-L85 PolarHBondContact OD1-N 3.31Å; D83-D86 HydrophobicContact CB-CB 4.36Å; D83-D86 PolarHBondContact OD1-N 2.81Å; D83-D86 VanDerWaalsContact OD1-N 3.15Å; D83-D86 VanDerWaalsContact OD2-CA 3.24Å; D83-D86 WeakPolarHBondContact OD2-CA 3.31Å; D83-D86 WeakPolarHBondContact OD2-CB 3.15Å; D83-N101 HydrophobicContact CB-CB 3.99Å; D83-N101 PolarHBondContact N-O 3.47Å; D83-N101 PolarHBondContact O-N 3.4Å; D83-W204 HydrophobicContact CB-CB 4.01Å; D83-W204 HydrophobicContact CB-CG 4.33Å
84P98.1Very high95.5Very high0 Ų045.7 Ų45.70%020%0.203CC..EExtended strand (participates in β ladder)trans-63.5-30-178.7-22.134.6000113.4I16 A44 H45 I48 S63 E65 V82I16-P84 WeakPolarHBondContact CD1-O 3.43Å; A44-P84 HydrophobicContact CB-CB 3.69Å; A44-P84 WeakPolarHBondContact CB-O 3.31Å; H45-P84 HydrophobicContact CB-CB 4.14Å; H45-P84 HydrophobicContact CB-CG 3.81Å; I48-P84 HydrophobicContact CD1-CB 4.11Å; S63-P84 WeakPolarHBondContact OG-CG 3.29Å; E65-P84 HydrophobicContact CG-CG 4.12Å; V82-P84 HydrophobicContact CG1-CG 4.02Å
85L97.7Very high95.3Very high0 Ų044.7 Ų44.70%020%0.2CC..EExtended strand (participates in β ladder)trans-152.986.8-179.6-168.3166.6000109.5I16 A40 D41 D83 G87 F91 F98I16-L85 HydrophobicContact CD1-CB 4.23Å; I16-L85 HydrophobicContact CD1-CD1 4.24Å; I16-L85 HydrophobicContact CD1-CG 4.19Å; I16-L85 HydrophobicContact CG1-CD1 4.17Å; I16-L85 HydrophobicContact CG2-CD1 3.93Å; A40-L85 HydrophobicContact CB-CD1 3.6Å; D41-L85 HydrophobicContact CB-CB 4.46Å; D41-L85 WeakPolarHBondContact OD1-CB 3.42Å; D83-L85 PolarHBondContact O-N 2.77Å; D83-L85 PolarHBondContact OD1-N 3.31Å; L85-G87 PolarHBondContact O-N 2.83Å; L85-F91 HydrophobicContact CD1-CD2 3.89Å; L85-F91 HydrophobicContact CD1-CE2 4.13Å; L85-F91 HydrophobicContact CD1-CG 4.16Å; L85-F91 HydrophobicContact CD2-CB 3.95Å; L85-F91 HydrophobicContact CD2-CD2 4.49Å; L85-F91 HydrophobicContact CD2-CG 4.31Å; L85-F98 HydrophobicContact CD2-CB 4.23Å
86D96.4Very high95.2Very high19 Ų1938.4 Ų38.410%0.10217%0.172CC..EExtended strand (participates in β ladder)trans-77.5121.8173.7176.312.7000109.5D83 F98 T99 N101 S180 S181D83-D86 HydrophobicContact CB-CB 4.36Å; D83-D86 PolarHBondContact OD1-N 2.81Å; D83-D86 VanDerWaalsContact OD1-N 3.15Å; D83-D86 VanDerWaalsContact OD2-CA 3.24Å; D83-D86 WeakPolarHBondContact OD2-CA 3.31Å; D83-D86 WeakPolarHBondContact OD2-CB 3.15Å; D86-F98 CarbonylContact O-C 3.52Å; D86-F98 WeakPolarHBondContact O-CA 3.44Å; D86-F98 VanDerWaalsContact O-CB 3.31Å; D86-F98 WeakPolarHBondContact O-CB 3.44Å; D86-T99 WeakPolarHBondContact CB-OG1 3.46Å; D86-T99 PolarHBondContact N-O 3.33Å; D86-T99 PolarHBondContact O-N 2.98Å; D86-T99 PolarHBondContact OD2-OG1 2.9Å; D86-N101 VanDerWaalsContact CB-ND2 3.28Å; D86-N101 WeakPolarHBondContact CB-ND2 3.09Å; D86-N101 PolarHBondContact OD2-ND2 2.99Å; D86-S180 VanDerWaalsContact C-OG 3.3Å; D86-S180 WeakPolarHBondContact O-CB 3.47Å; D86-S180 PolarHBondContact O-OG 2.98Å; D86-S180 WeakPolarHBondContact OD2-CA 3.48Å; D86-S180 WeakPolarHBondContact OD2-CB 3.42Å; D86-S181 WeakPolarHBondContact OD2-CB 3.47Å; D86-S181 PolarHBondContact OD2-N 3.01Å
87G93.6Very high95Very high10 Ų1037.5 Ų37.510%0.10317%0.169CC..  trans100.341.4-176.900000113.8L85 K89 E90 F91 S180L85-G87 PolarHBondContact O-N 2.83Å; G87-K89 PolarHBondContact O-N 2.67Å; G87-K89 VanDerWaalsContact O-N 3.13Å; G87-E90 CarbonylContact O-C 3.55Å; G87-E90 WeakPolarHBondContact O-CA 3.31Å; G87-E90 VanDerWaalsContact O-CB 3.31Å; G87-E90 WeakPolarHBondContact O-CB 3.33Å; G87-E90 PolarHBondContact O-N 3.12Å; G87-F91 PolarHBondContact O-N 3.41Å; G87-S180 VanDerWaalsContact CA-OG 3.26Å; G87-S180 WeakPolarHBondContact CA-OG 3.32Å; G87-S180 PolarHBondContact N-OG 2.79Å
88T89.8Confident95Very high16 Ų1632.9 Ų32.910%0.09815%0.148CC..Hα-helixtrans-54.4-33.2176.2-35.80000112.7P36 T38 D41 F91 I92P36-T88 HydrophobicContact CB-CG2 4.13Å; P36-T88 HydrophobicContact CG-CG2 3.85Å; T38-T88 HydrophobicContact CG2-CG2 3.96Å; D41-T88 PolarHBondContact OD1-OG1 2.8Å; T88-F91 PolarHBondContact O-N 2.97Å; T88-I92 HydrophobicContact CG2-CD1 4.13Å; T88-I92 WeakPolarHBondContact O-CB 3.38Å; T88-I92 WeakPolarHBondContact O-CD1 3.39Å; T88-I92 WeakPolarHBondContact O-CG1 3.28Å; T88-I92 PolarHBondContact O-N 2.9Å
89K88.7Confident95Very high112 Ų11227.2 Ų27.249%0.48713%0.127SC..Hα-helixtrans-66.1-43.6174.5-70.2177.7-177.6170.80111.8G87 K93G87-K89 PolarHBondContact O-N 2.67Å; G87-K89 VanDerWaalsContact O-N 3.13Å; K89-K93 WeakPolarHBondContact O-CB 3.27Å; K89-K93 WeakPolarHBondContact O-CG 3.26Å; K89-K93 PolarHBondContact O-N 3.23Å
90E92.5Very high95Very high13 Ų1327.2 Ų27.26%0.06113%0.126CC..Hα-helixtrans-63.8-41.5175.3-7765.6-146.900111.1G87 K93 R94 N95 E97 S157G87-E90 CarbonylContact O-C 3.55Å; G87-E90 WeakPolarHBondContact O-CA 3.31Å; G87-E90 VanDerWaalsContact O-CB 3.31Å; G87-E90 WeakPolarHBondContact O-CB 3.33Å; G87-E90 PolarHBondContact O-N 3.12Å; E90-K93 CarbonylContact O-C 3.49Å; E90-K93 PolarHBondContact O-N 2.78Å; E90-R94 PolarHBondContact O-N 2.85Å; E90-R94 VanDerWaalsContact O-N 3.08Å; E90-N95 WeakPolarHBondContact CA-OD1 3.42Å; E90-N95 WeakPolarHBondContact CB-OD1 3.26Å; E90-N95 WeakPolarHBondContact CG-ND2 3.38Å; E90-N95 PolarHBondContact O-N 3.5Å; E90-N95 VanDerWaalsContact O-N 3.17Å; E90-N95 PolarHBondContact O-OD1 2.79Å; E90-N95 VanDerWaalsContact O-OD1 3.09Å; E90-E97 HydrophobicContact CB-CB 4.41Å; E90-E97 VanDerWaalsContact CB-O 3.29Å; E90-E97 WeakPolarHBondContact CB-O 3.49Å; E90-E97 HydrophobicContact CG-CB 4.23Å; E90-S157 PolarHBondContact OE1-OG 2.79Å
91F93.3Very high95Very high0 Ų027.2 Ų27.20%013%0.126CC..Hα-helixtrans-60.1-51.7172.6-179.9-88.2000112.6I16 V19 Y20 M26 T38 A40 L85 G87 T88 K93 R94 F98I16-F91 HydrophobicContact CG2-CD2 4.02Å; I16-F91 HydrophobicContact CG2-CE2 3.56Å; V19-F91 HydrophobicContact CB-CZ 4.28Å; V19-F91 HydrophobicContact CG1-CE1 4.44Å; V19-F91 HydrophobicContact CG1-CZ 3.98Å; Y20-F91 AromaticContact CD2-CD2 3.66Å; Y20-F91 HydrophobicContact CD2-CD2 3.66Å; Y20-F91 AromaticContact CD2-CE2 3.5Å; Y20-F91 HydrophobicContact CD2-CE2 3.5Å; Y20-F91 HydrophobicContact CD2-CG 4.36Å; Y20-F91 HydrophobicContact CD2-CZ 4.09Å; Y20-F91 HydrophobicContact CE2-CD2 4.3Å; Y20-F91 HydrophobicContact CG-CE2 4.07Å; M26-F91 HydrophobicContact CE-CE1 4.06Å; M26-F91 HydrophobicContact CG-CE1 4.28Å; T38-F91 HydrophobicContact CG2-CD1 4.2Å; T38-F91 HydrophobicContact CG2-CE1 4.2Å; A40-F91 HydrophobicContact CB-CE1 4.03Å; A40-F91 HydrophobicContact CB-CE2 3.83Å; A40-F91 HydrophobicContact CB-CZ 3.44Å; A40-F91 VanDerWaalsContact CB-CZ 3.44Å; L85-F91 HydrophobicContact CD1-CD2 3.89Å; L85-F91 HydrophobicContact CD1-CE2 4.13Å; L85-F91 HydrophobicContact CD1-CG 4.16Å; L85-F91 HydrophobicContact CD2-CB 3.95Å; L85-F91 HydrophobicContact CD2-CD2 4.49Å; L85-F91 HydrophobicContact CD2-CG 4.31Å; G87-F91 PolarHBondContact O-N 3.41Å; T88-F91 PolarHBondContact O-N 2.97Å; F91-K93 VanDerWaalsContact C-N 3.27Å; F91-K93 PolarHBondContact O-N 3.12Å; F91-R94 WeakPolarHBondContact O-CA 3.22Å; F91-R94 PolarHBondContact O-N 2.94Å; F91-F98 HydrophobicContact CB-CB 4.44Å; F91-F98 HydrophobicContact CB-CD1 3.89Å; F91-F98 HydrophobicContact CB-CE1 4.39Å; F91-F98 HydrophobicContact CB-CG 4.21Å; F91-F98 AromaticContact CD2-CD1 3.95Å; F91-F98 HydrophobicContact CD2-CD1 3.95Å; F91-F98 HydrophobicContact CD2-CD2 4.22Å; F91-F98 AromaticContact CD2-CE1 3.75Å; F91-F98 HydrophobicContact CD2-CE1 3.75Å; F91-F98 HydrophobicContact CD2-CE2 4.05Å; F91-F98 HydrophobicContact CD2-CG 4.17Å; F91-F98 AromaticContact CD2-CZ 3.79Å; F91-F98 HydrophobicContact CD2-CZ 3.79Å; F91-F98 HydrophobicContact CE2-CZ 4.28Å; F91-F98 HydrophobicContact CG-CD1 4.41Å
92I90.2Very high95Very high63 Ų6327.1 Ų27.132%0.32313%0.126SC..Hα-helixtrans-60.6-38.4177.6-70.1164.8000110.9V28 P36 T38 T88 R94V28-I92 HydrophobicContact CG1-CD1 4.13Å; V28-I92 HydrophobicContact CG2-CG1 4.49Å; P36-I92 HydrophobicContact CB-CD1 3.71Å; P36-I92 HydrophobicContact CG-CD1 3.92Å; T38-I92 HydrophobicContact CG2-CD1 4.48Å; T38-I92 HydrophobicContact CG2-CG1 4.28Å; T88-I92 HydrophobicContact CG2-CD1 4.13Å; T88-I92 WeakPolarHBondContact O-CB 3.38Å; T88-I92 WeakPolarHBondContact O-CD1 3.39Å; T88-I92 WeakPolarHBondContact O-CG1 3.28Å; T88-I92 PolarHBondContact O-N 2.9Å; I92-R94 PolarHBondContact O-N 2.83Å
93K91.2Very high95Very high135 Ų13527.1 Ų27.159%0.58713%0.126SC*.THydrogen-bonded Turntrans-74.5-4175.3-71.8172.9-176.2176.20113.7K89 E90 F91 N95K89-K93 WeakPolarHBondContact O-CB 3.27Å; K89-K93 WeakPolarHBondContact O-CG 3.26Å; K89-K93 PolarHBondContact O-N 3.23Å; E90-K93 CarbonylContact O-C 3.49Å; E90-K93 PolarHBondContact O-N 2.78Å; F91-K93 VanDerWaalsContact C-N 3.27Å; F91-K93 PolarHBondContact O-N 3.12Å; K93-N95 VanDerWaalsContact C-N 3.3Å; K93-N95 PolarHBondContact O-N 3.05Å
94R92.4Very high95Very high123 Ų12327.2 Ų27.246%0.46413%0.127SC..THydrogen-bonded Turntrans52.942.2-179.3-55.6-174.967.585.67.1114Y20 M26 E90 F91 I92Y20-R94 HydrophobicContact CE2-CB 4.19Å; Y20-R94 HydrophobicContact CE2-CG 4.3Å; Y20-R94 PolarHBondContact O-NH1 3.32Å; Y20-R94 PolarHBondContact O-NH2 2.8Å; Y20-R94 VanDerWaalsContact OH-CA 3.29Å; Y20-R94 WeakPolarHBondContact OH-CA 3.32Å; Y20-R94 PolarHBondContact OH-O 2.82Å; Y20-R94 VanDerWaalsContact OH-O 3.09Å; M26-R94 HydrophobicContact CE-CG 4.44Å; E90-R94 PolarHBondContact O-N 2.85Å; E90-R94 VanDerWaalsContact O-N 3.08Å; F91-R94 WeakPolarHBondContact O-CA 3.22Å; F91-R94 PolarHBondContact O-N 2.94Å; I92-R94 PolarHBondContact O-N 2.83Å
95N92.1Very high95Very high53 Ų5327.2 Ų27.228%0.28313%0.127SC..  trans-99.1-2.6-179.474.37.9000114.2E90 K93 E97E90-N95 WeakPolarHBondContact CA-OD1 3.42Å; E90-N95 WeakPolarHBondContact CB-OD1 3.26Å; E90-N95 WeakPolarHBondContact CG-ND2 3.38Å; E90-N95 PolarHBondContact O-N 3.5Å; E90-N95 VanDerWaalsContact O-N 3.17Å; E90-N95 PolarHBondContact O-OD1 2.79Å; E90-N95 VanDerWaalsContact O-OD1 3.09Å; K93-N95 VanDerWaalsContact C-N 3.3Å; K93-N95 PolarHBondContact O-N 3.05Å; N95-E97 VanDerWaalsContact C-N 3.27Å; N95-E97 PolarHBondContact O-N 3.35Å; N95-E97 PolarHBondContact OD1-N 2.78Å
96G94.1Very high95.1Very high3 Ų328.7 Ų28.73%0.03114%0.135CC..SBendtrans74.83.1176.300000116.5Y20 F98Y20-G96 PolarHBondContact OH-N 3.32Å; Y20-G96 VanDerWaalsContact OH-N 3.15Å; G96-F98 PolarHBondContact O-N 3.35Å
97E95.5Very high95.2Very high19 Ų1933.2 Ų33.29%0.08916%0.155CC..  trans-97.358.6-178.3-65.6179.2-173.100111.6E90 N95 M120 R156 I178 G179 S180E90-E97 HydrophobicContact CB-CB 4.41Å; E90-E97 VanDerWaalsContact CB-O 3.29Å; E90-E97 WeakPolarHBondContact CB-O 3.49Å; E90-E97 HydrophobicContact CG-CB 4.23Å; N95-E97 VanDerWaalsContact C-N 3.27Å; N95-E97 PolarHBondContact O-N 3.35Å; N95-E97 PolarHBondContact OD1-N 2.78Å; E97-M120 HydrophobicContact CG-CE 3.84Å; E97-R156 VanDerWaalsContact CD-CZ 3.45Å; E97-R156 IonicContact OE1-CZ 3.02Å; E97-R156 IonicContact OE1-NH1 2.69Å; E97-R156 PolarHBondContact OE1-NH1 3.31Å; E97-R156 IonicContact OE1-NH2 2.68Å; E97-R156 PolarHBondContact OE1-NH2 2.76Å; E97-R156 IonicContact OE2-CZ 3.13Å; E97-R156 IonicContact OE2-NE 3.79Å; E97-R156 IonicContact OE2-NH1 2.98Å; E97-R156 PolarHBondContact OE2-NH1 2.71Å; E97-R156 IonicContact OE2-NH2 3.33Å; E97-R156 PolarHBondContact OE2-NH2 2.94Å; E97-I178 HydrophobicContact CG-CG1 4.25Å; E97-G179 PolarHBondContact OE2-N 3.45Å; E97-S180 PolarHBondContact O-OG 2.87Å
98F96.6Very high95.4Very high0 Ų033 Ų330%015%0.152CC..  trans-127.9155.9173.654.6-94.1000110.4I16 M17 Y20 L85 D86 F91 G96 P118 V119I16-F98 HydrophobicContact CG2-CD2 4.12Å; I16-F98 HydrophobicContact CG2-CE2 3.55Å; I16-F98 HydrophobicContact CG2-CZ 4.27Å; M17-F98 HydrophobicContact SD-CZ 4.26Å; Y20-F98 HydrophobicContact CD1-CZ 4.32Å; Y20-F98 AromaticContact CD2-CE1 3.7Å; Y20-F98 HydrophobicContact CD2-CE1 3.7Å; Y20-F98 AromaticContact CD2-CZ 3.74Å; Y20-F98 HydrophobicContact CD2-CZ 3.74Å; Y20-F98 HydrophobicContact CE1-CE1 4.44Å; Y20-F98 HydrophobicContact CE1-CZ 4.45Å; Y20-F98 HydrophobicContact CE2-CD1 4.47Å; Y20-F98 AromaticContact CE2-CE1 3.4Å; Y20-F98 HydrophobicContact CE2-CE1 3.4Å; Y20-F98 AromaticContact CE2-CZ 3.88Å; Y20-F98 HydrophobicContact CE2-CZ 3.88Å; Y20-F98 HydrophobicContact CG-CE1 4.32Å; Y20-F98 AromaticContact CG-CZ 3.95Å; Y20-F98 HydrophobicContact CG-CZ 3.95Å; Y20-F98 AromaticContact CZ-CE1 3.8Å; L85-F98 HydrophobicContact CD2-CB 4.23Å; D86-F98 CarbonylContact O-C 3.52Å; D86-F98 WeakPolarHBondContact O-CA 3.44Å; D86-F98 VanDerWaalsContact O-CB 3.31Å; D86-F98 WeakPolarHBondContact O-CB 3.44Å; F91-F98 HydrophobicContact CB-CB 4.44Å; F91-F98 HydrophobicContact CB-CD1 3.89Å; F91-F98 HydrophobicContact CB-CE1 4.39Å; F91-F98 HydrophobicContact CB-CG 4.21Å; F91-F98 AromaticContact CD2-CD1 3.95Å; F91-F98 HydrophobicContact CD2-CD1 3.95Å; F91-F98 HydrophobicContact CD2-CD2 4.22Å; F91-F98 AromaticContact CD2-CE1 3.75Å; F91-F98 HydrophobicContact CD2-CE1 3.75Å; F91-F98 HydrophobicContact CD2-CE2 4.05Å; F91-F98 HydrophobicContact CD2-CG 4.17Å; F91-F98 AromaticContact CD2-CZ 3.79Å; F91-F98 HydrophobicContact CD2-CZ 3.79Å; F91-F98 HydrophobicContact CE2-CZ 4.28Å; F91-F98 HydrophobicContact CG-CD1 4.41Å; G96-F98 PolarHBondContact O-N 3.35Å; F98-P118 HydrophobicContact CD2-CG 4.49Å; F98-P118 HydrophobicContact CE2-CB 4.38Å; F98-P118 HydrophobicContact CE2-CG 4.1Å; F98-V119 HydrophobicContact CE1-CG2 3.82Å; F98-V119 HydrophobicContact CE2-CG2 4.23Å; F98-V119 HydrophobicContact CZ-CG2 3.41Å; F98-V119 VanDerWaalsContact CZ-CG2 3.41Å
99T98.5Very high95.8Very high0 Ų039.2 Ų39.20%018%0.178CC..EExtended strand (participates in β ladder)trans-139.4152.4-171.947.70000113D86 N101 V115 Y116 A117 S180 S181 L182D86-T99 WeakPolarHBondContact CB-OG1 3.46Å; D86-T99 PolarHBondContact N-O 3.33Å; D86-T99 PolarHBondContact O-N 2.98Å; D86-T99 PolarHBondContact OD2-OG1 2.9Å; T99-N101 PolarHBondContact OG1-OD1 3.37Å; T99-V115 HydrophobicContact CG2-CG1 3.72Å; T99-Y116 CarbonylContact C-O 3.5Å; T99-Y116 WeakPolarHBondContact CA-O 3.33Å; T99-Y116 WeakPolarHBondContact CB-O 3.24Å; T99-A117 HydrophobicContact CG2-CB 4.02Å; T99-S180 WeakPolarHBondContact OG1-CB 3.28Å; T99-S181 PolarHBondContact OG1-OG 2.89Å; T99-L182 HydrophobicContact CG2-CD1 4.3Å; T99-L182 HydrophobicContact CG2-CD2 4.09Å; T99-L182 HydrophobicContact CG2-CG 3.73Å
100V98.8Very high96.3Very high0 Ų034.8 Ų34.80%016%0.16CC..EExtended strand (participates in β ladder)trans-90.8125.2161.2-179.50000107.9A9 A12 I16 I48 I102 V115 Y116A9-V100 HydrophobicContact CB-CG1 4.25Å; A12-V100 HydrophobicContact CB-CG1 4.18Å; A12-V100 HydrophobicContact CB-CG2 4.14Å; I16-V100 HydrophobicContact CD1-CG2 3.58Å; I48-V100 HydrophobicContact CD1-CG1 3.64Å; V100-I102 HydrophobicContact CG1-CD1 4.27Å; V100-I102 HydrophobicContact CG1-CG1 4.16Å; V100-V115 WeakPolarHBondContact O-CA 3.35Å; V100-Y116 PolarHBondContact N-O 2.97Å; V100-Y116 PolarHBondContact O-N 3.13Å
101N98.9Very high96.5Very high1 Ų137.7 Ų37.71%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-114.4122.1177.8-58-25.4000110.2V82 D83 D86 T99 V114 S181 A208V82-N101 WeakPolarHBondContact CA-O 3.34Å; D83-N101 HydrophobicContact CB-CB 3.99Å; D83-N101 PolarHBondContact N-O 3.47Å; D83-N101 PolarHBondContact O-N 3.4Å; D86-N101 VanDerWaalsContact CB-ND2 3.28Å; D86-N101 WeakPolarHBondContact CB-ND2 3.09Å; D86-N101 PolarHBondContact OD2-ND2 2.99Å; T99-N101 PolarHBondContact OG1-OD1 3.37Å; N101-V114 WeakPolarHBondContact CA-O 3.16Å; N101-S181 WeakPolarHBondContact OD1-CB 3.42Å; N101-S181 PolarHBondContact OD1-OG 3.09Å; N101-A208 HydrophobicContact CB-CB 3.8Å
102I98.9Very high96.8Very high0 Ų038.1 Ų38.10%018%0.178CC..EExtended strand (participates in β ladder)trans-130.1123.5174.3-55172.8000108.6V5 L8 A9 I48 L52 W80 V82 V100 G113 V114V5-I102 HydrophobicContact CG1-CB 4Å; V5-I102 HydrophobicContact CG1-CD1 4.19Å; V5-I102 HydrophobicContact CG1-CG2 3.64Å; L8-I102 HydrophobicContact CD2-CD1 4.43Å; L8-I102 HydrophobicContact CG-CD1 4.35Å; A9-I102 HydrophobicContact CB-CD1 4.15Å; I48-I102 HydrophobicContact CD1-CD1 4.32Å; I48-I102 HydrophobicContact CD1-CG1 4.43Å; I48-I102 HydrophobicContact CG1-CD1 4.22Å; I48-I102 HydrophobicContact CG2-CD1 4.02Å; I48-I102 HydrophobicContact CG2-CG1 4.3Å; L52-I102 HydrophobicContact CD1-CG2 4.41Å; L52-I102 HydrophobicContact CD2-CG2 4.43Å; W80-I102 HydrophobicContact CE3-CG2 3.82Å; W80-I102 HydrophobicContact CZ3-CG2 4.04Å; V82-I102 HydrophobicContact CG2-CG2 4.33Å; V100-I102 HydrophobicContact CG1-CD1 4.27Å; V100-I102 HydrophobicContact CG1-CG1 4.16Å; I102-G113 CarbonylContact O-C 3.52Å; I102-G113 WeakPolarHBondContact O-CA 3.42Å; I102-V114 PolarHBondContact N-O 3.47Å; I102-V114 PolarHBondContact O-N 2.55Å
103A98.9Very high97.2Very high0 Ų035.1 Ų35.10%016%0.163CC..EExtended strand (participates in β ladder)trans-129.3144.3177.300000112.1W80 L81 I105 L112 A207 A208W80-A103 CarbonylContact C-O 3.55Å; W80-A103 WeakPolarHBondContact CA-O 3.26Å; L81-A103 PolarHBondContact N-O 2.95Å; L81-A103 PolarHBondContact O-N 3.41Å; A103-I105 HydrophobicContact CB-CD1 4.33Å; A103-L112 CarbonylContact C-O 3.58Å; A103-L112 WeakPolarHBondContact CA-O 3.42Å; A103-A207 HydrophobicContact CB-CB 3.62Å; A103-A208 HydrophobicContact CB-CB 4.28Å
104L98.9Very high97.6Very high5 Ų528.7 Ų28.73%0.02614%0.135CC..EExtended strand (participates in β ladder)trans-97.8118.1166.2-175.757000108.7M1 I59 R78 W80 P110 I111 L112M1-L104 HydrophobicContact SD-CD2 4.11Å; I59-L104 HydrophobicContact CD1-CD1 4.16Å; I59-L104 HydrophobicContact CG2-CD1 4.02Å; R78-L104 HydrophobicContact CG-CD1 3.91Å; W80-L104 HydrophobicContact CD2-CD1 3.99Å; W80-L104 HydrophobicContact CE3-CB 3.92Å; W80-L104 HydrophobicContact CE3-CD1 4.26Å; W80-L104 HydrophobicContact CG-CD1 4.47Å; W80-L104 HydrophobicContact CH2-CB 3.89Å; W80-L104 HydrophobicContact CH2-CD1 4.38Å; W80-L104 HydrophobicContact CH2-CD2 4.23Å; W80-L104 HydrophobicContact CH2-CG 4.4Å; W80-L104 HydrophobicContact CZ2-CB 4.49Å; W80-L104 HydrophobicContact CZ2-CD1 4.13Å; W80-L104 HydrophobicContact CZ2-CD2 4.35Å; W80-L104 HydrophobicContact CZ3-CB 3.6Å; W80-L104 HydrophobicContact CZ3-CD1 4.46Å; W80-L104 HydrophobicContact CZ3-CG 4.47Å; L104-P110 CarbonylContact O-C 3.43Å; L104-P110 WeakPolarHBondContact O-CA 3.42Å; L104-I111 HydrophobicContact CB-CG1 4.16Å; L104-I111 HydrophobicContact CD2-CD1 3.82Å; L104-I111 HydrophobicContact CD2-CG1 4.12Å; L104-I111 HydrophobicContact CG-CD1 4.11Å; L104-I111 HydrophobicContact CG-CG1 3.99Å; L104-I111 WeakPolarHBondContact O-CG1 3.44Å; L104-I111 PolarHBondContact O-N 2.99Å; L104-L112 HydrophobicContact CB-CB 3.86Å; L104-L112 PolarHBondContact N-O 3.3Å
105I98.8Very high97.9Very high0 Ų022.9 Ų22.90%011%0.113CC..EExtended strand (participates in β ladder)trans-92.6136.7174-51.7-52.6000109R78 Y79 L81 A103 K109 P110 A207 Y230R78-I105 VanDerWaalsContact CA-O 3.22Å; R78-I105 WeakPolarHBondContact CA-O 3.41Å; R78-I105 WeakPolarHBondContact CG-O 3.43Å; Y79-I105 HydrophobicContact CD1-CB 3.97Å; Y79-I105 HydrophobicContact CD1-CG2 4.25Å; Y79-I105 HydrophobicContact CD2-CG1 4.48Å; Y79-I105 HydrophobicContact CE1-CB 3.65Å; Y79-I105 HydrophobicContact CE1-CG1 4.11Å; Y79-I105 HydrophobicContact CE1-CG2 3.58Å; Y79-I105 HydrophobicContact CE2-CB 4.32Å; Y79-I105 HydrophobicContact CE2-CG1 3.94Å; Y79-I105 HydrophobicContact CG-CB 4.43Å; Y79-I105 PolarHBondContact N-O 3.43Å; Y79-I105 VanDerWaalsContact N-O 3.14Å; Y79-I105 PolarHBondContact O-N 3.07Å; L81-I105 HydrophobicContact CB-CD1 4.39Å; L81-I105 HydrophobicContact CB-CG1 3.91Å; L81-I105 HydrophobicContact CD2-CD1 4.27Å; L81-I105 HydrophobicContact CD2-CG1 4.18Å; A103-I105 HydrophobicContact CB-CD1 4.33Å; I105-K109 CarbonylContact C-O 3.51Å; I105-K109 WeakPolarHBondContact CA-O 3.43Å; I105-P110 HydrophobicContact CD1-CB 3.77Å; I105-A207 HydrophobicContact CD1-CB 4.05Å; I105-Y230 HydrophobicContact CD1-CD1 4.4Å; I105-Y230 HydrophobicContact CD1-CD2 4.33Å; I105-Y230 HydrophobicContact CD1-CG 3.95Å
106D98.5Very high98.2Very high31 Ų3120.9 Ų20.917%0.16610%0.101CC..EExtended strand (participates in β ladder)trans-137.1117.1172.8-167.749.3000109.5Q77 R78 G108 K109 I111Q77-D106 CarbonylContact O-C 3.55Å; Q77-D106 WeakPolarHBondContact O-CA 3.31Å; R78-D106 IonicContact CZ-OD1 3.25Å; R78-D106 VanDerWaalsContact CZ-OD1 3.25Å; R78-D106 IonicContact CZ-OD2 3.91Å; R78-D106 IonicContact NE-OD1 2.77Å; R78-D106 PolarHBondContact NE-OD1 2.76Å; R78-D106 IonicContact NH2-OD1 2.9Å; R78-D106 PolarHBondContact NH2-OD1 3.01Å; R78-D106 IonicContact NH2-OD2 2.93Å; R78-D106 PolarHBondContact NH2-OD2 3.29Å; D106-G108 VanDerWaalsContact C-N 3.26Å; D106-G108 PolarHBondContact O-N 2.85Å; D106-K109 PolarHBondContact N-O 3.41Å; D106-K109 WeakPolarHBondContact O-CB 3.38Å; D106-K109 PolarHBondContact O-N 3.4Å; D106-I111 HydrophobicContact CB-CD1 3.69Å; D106-I111 HydrophobicContact CB-CG1 3.96Å; D106-I111 HydrophobicContact CB-CG2 3.87Å
107H98.4Very high98.4Very high114 Ų11420.8 Ų20.853%0.52810%0.1SC..THydrogen-bonded Turntrans47.148.6-175.9-62.6-73.2000113Q77 K109Q77-H107 PolarHBondContact O-N 3.31Å; Q77-H107 PolarHBondContact OE1-ND1 3.31Å; H107-K109 VanDerWaalsContact C-N 3.25Å; H107-K109 PolarHBondContact O-N 3.43Å
108G98Very high98.5Very high4 Ų420.3 Ų20.34%0.04110%0.099CC..THydrogen-bonded Turntrans76.32.2179.100000115.5D106 Y230D106-G108 VanDerWaalsContact C-N 3.26Å; D106-G108 PolarHBondContact O-N 2.85Å; G108-Y230 WeakPolarHBondContact O-CD2 3.49Å; G108-Y230 PolarHBondContact O-N 2.76Å
109K98.4Very high98.6Very high147 Ų14723.3 Ų23.364%0.63912%0.117SC*.EExtended strand (participates in β ladder)trans-110.2136-179.7-61.5178.5-177.3176.90111.4I105 D106 H107 I111I105-K109 CarbonylContact C-O 3.51Å; I105-K109 WeakPolarHBondContact CA-O 3.43Å; D106-K109 PolarHBondContact N-O 3.41Å; D106-K109 WeakPolarHBondContact O-CB 3.38Å; D106-K109 PolarHBondContact O-N 3.4Å; H107-K109 VanDerWaalsContact C-N 3.25Å; H107-K109 PolarHBondContact O-N 3.43Å; K109-I111 PolarHBondContact O-N 3.33Å
110P98.6Very high98.5Very high19 Ų1927.1 Ų27.112%0.12314%0.136CC..EExtended strand (participates in β ladder)trans-81104.3175.234.9-33.1000109.4L104 I105 H210 A211 Y230L104-P110 CarbonylContact O-C 3.43Å; L104-P110 WeakPolarHBondContact O-CA 3.42Å; I105-P110 HydrophobicContact CD1-CB 3.77Å; P110-H210 HydrophobicContact CG-CB 4.13Å; P110-A211 HydrophobicContact CB-CB 4.06Å; P110-A211 HydrophobicContact CG-CB 4.46Å; P110-Y230 HydrophobicContact CB-CE2 4.38Å; P110-Y230 HydrophobicContact CG-CD2 4.13Å; P110-Y230 HydrophobicContact CG-CE2 3.74Å
111I98.5Very high98.4Very high75 Ų7531.5 Ų31.539%0.38516%0.159SC..EExtended strand (participates in β ladder)trans-92.7-19-174.159.7161.6000113.6L104 D106 K109L104-I111 HydrophobicContact CB-CG1 4.16Å; L104-I111 HydrophobicContact CD2-CD1 3.82Å; L104-I111 HydrophobicContact CD2-CG1 4.12Å; L104-I111 HydrophobicContact CG-CD1 4.11Å; L104-I111 HydrophobicContact CG-CG1 3.99Å; L104-I111 WeakPolarHBondContact O-CG1 3.44Å; L104-I111 PolarHBondContact O-N 2.99Å; D106-I111 HydrophobicContact CB-CD1 3.69Å; D106-I111 HydrophobicContact CB-CG1 3.96Å; D106-I111 HydrophobicContact CB-CG2 3.87Å; K109-I111 PolarHBondContact O-N 3.33Å
112L98.8Very high98.4Very high9 Ų931.7 Ų31.75%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-137.8140.5172.7-175.4153.3000107.8M1 L2 V5 W80 A103 L104 V114 A126 A127M1-L112 HydrophobicContact CG-CD1 4.34Å; M1-L112 HydrophobicContact SD-CD1 3.92Å; L2-L112 HydrophobicContact CB-CD1 4.35Å; L2-L112 HydrophobicContact CD1-CD1 3.88Å; L2-L112 HydrophobicContact CD1-CD2 4.02Å; L2-L112 HydrophobicContact CD1-CG 3.79Å; V5-L112 HydrophobicContact CB-CD2 4.4Å; V5-L112 HydrophobicContact CG1-CD2 4.14Å; V5-L112 HydrophobicContact CG2-CD2 4.36Å; W80-L112 HydrophobicContact CH2-CD2 4.31Å; W80-L112 HydrophobicContact CZ3-CD2 3.99Å; A103-L112 CarbonylContact C-O 3.58Å; A103-L112 WeakPolarHBondContact CA-O 3.42Å; L104-L112 HydrophobicContact CB-CB 3.86Å; L104-L112 PolarHBondContact N-O 3.3Å; L112-V114 HydrophobicContact CD2-CG2 4.31Å; L112-A126 VanDerWaalsContact CA-O 3.26Å; L112-A126 WeakPolarHBondContact CA-O 3.16Å; L112-A127 HydrophobicContact CD1-CB 4.36Å; L112-A127 HydrophobicContact CG-CB 4.41Å
113G98.9Very high98.4Very high0 Ų031.8 Ų31.80%016%0.161CC..EExtended strand (participates in β ladder)trans-147144.3172.200000112.3I102 S125 A126I102-G113 CarbonylContact O-C 3.52Å; I102-G113 WeakPolarHBondContact O-CA 3.42Å; G113-S125 CarbonylContact O-C 3.12Å; G113-S125 VanDerWaalsContact O-CA 3.29Å; G113-S125 WeakPolarHBondContact O-CA 3.28Å; G113-A126 PolarHBondContact N-O 3.02Å; G113-A126 PolarHBondContact O-N 3.1Å
114V98.9Very high98.4Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-130.9125.5171.8178.20000108.1L2 V5 A9 N101 I102 L112 M123 Y124 A208L2-V114 HydrophobicContact CD1-CG2 4.08Å; V5-V114 HydrophobicContact CB-CG2 4.23Å; V5-V114 HydrophobicContact CG1-CB 4.27Å; V5-V114 HydrophobicContact CG1-CG2 3.73Å; A9-V114 HydrophobicContact CB-CG1 3.7Å; N101-V114 WeakPolarHBondContact CA-O 3.16Å; I102-V114 PolarHBondContact N-O 3.47Å; I102-V114 PolarHBondContact O-N 2.55Å; L112-V114 HydrophobicContact CD2-CG2 4.31Å; V114-M123 HydrophobicContact CG1-CG 4.08Å; V114-M123 HydrophobicContact CG1-SD 4.11Å; V114-Y124 CarbonylContact C-O 3.52Å; V114-Y124 WeakPolarHBondContact CA-O 3.26Å; V114-A208 WeakPolarHBondContact O-CB 3.41Å
115V98.9Very high98.4Very high0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans-117.2115.7169.9173.80000107.1T99 V100 M123 Y124 S181 A208T99-V115 HydrophobicContact CG2-CG1 3.72Å; V100-V115 WeakPolarHBondContact O-CA 3.35Å; V115-M123 WeakPolarHBondContact O-CA 3.42Å; V115-Y124 PolarHBondContact N-O 2.79Å; V115-Y124 PolarHBondContact O-N 3.35Å; V115-S181 WeakPolarHBondContact CG1-OG 3.14Å; V115-A208 HydrophobicContact CG2-CB 3.76Å
116Y98.8Very high98.4Very high12 Ų1232.6 Ų32.65%0.04717%0.166CC..EExtended strand (participates in β ladder)trans-116.8125.4177.7-179.6-125.2000110.5A9 R10 T99 V100 P118 N121 V122 M123A9-Y116 WeakPolarHBondContact O-CD1 3.47Å; R10-Y116 HydrophobicContact CG-CE1 4.38Å; T99-Y116 CarbonylContact C-O 3.5Å; T99-Y116 WeakPolarHBondContact CA-O 3.33Å; T99-Y116 WeakPolarHBondContact CB-O 3.24Å; V100-Y116 PolarHBondContact N-O 2.97Å; V100-Y116 PolarHBondContact O-N 3.13Å; Y116-P118 HydrophobicContact CD1-CG 4.01Å; Y116-P118 HydrophobicContact CE1-CB 4.05Å; Y116-P118 HydrophobicContact CE1-CG 3.99Å; Y116-P118 WeakPolarHBondContact O-CD 3.28Å; Y116-N121 PolarHBondContact OH-OD1 2.84Å; Y116-N121 VanDerWaalsContact OH-OD1 3.05Å; Y116-V122 VanDerWaalsContact CD2-O 3.27Å; Y116-V122 WeakPolarHBondContact CD2-O 3.24Å; Y116-M123 HydrophobicContact CD2-CB 3.91Å; Y116-M123 HydrophobicContact CD2-CE 3.7Å; Y116-M123 HydrophobicContact CD2-CG 4.3Å; Y116-M123 HydrophobicContact CE2-CE 4.18Å; Y116-M123 HydrophobicContact CG-CE 4.1Å
117A98.4Very high98.4Very high0 Ų031.8 Ų31.80%016%0.163CC..EExtended strand (participates in β ladder)trans-103.2100174.700000109.7T99 V119 M120 N121 V122 L182T99-A117 HydrophobicContact CG2-CB 4.02Å; A117-V119 PolarHBondContact O-N 2.68Å; A117-M120 HydrophobicContact CB-CB 4.14Å; A117-M120 HydrophobicContact CB-CG 4.37Å; A117-M120 HydrophobicContact CB-SD 4.35Å; A117-M120 PolarHBondContact O-N 2.97Å; A117-N121 PolarHBondContact O-N 3.21Å; A117-V122 PolarHBondContact N-O 2.93Å; A117-V122 PolarHBondContact O-N 2.9Å; A117-L182 HydrophobicContact CB-CD1 4.4Å; A117-L182 HydrophobicContact CB-CD2 4.02Å
118P98Very high98.3Very high10 Ų1035.2 Ų35.27%0.06518%0.179CC..THydrogen-bonded Turntrans-63.1-43.2-168.4-24.635.6000113.6M17 F98 Y116 M120 N121M17-P118 HydrophobicContact CG-CB 3.74Å; M17-P118 HydrophobicContact SD-CB 3.86Å; F98-P118 HydrophobicContact CD2-CG 4.49Å; F98-P118 HydrophobicContact CE2-CB 4.38Å; F98-P118 HydrophobicContact CE2-CG 4.1Å; Y116-P118 HydrophobicContact CD1-CG 4.01Å; Y116-P118 HydrophobicContact CE1-CB 4.05Å; Y116-P118 HydrophobicContact CE1-CG 3.99Å; Y116-P118 WeakPolarHBondContact O-CD 3.28Å; P118-M120 VanDerWaalsContact C-N 3.34Å; P118-M120 PolarHBondContact O-N 2.82Å; P118-N121 PolarHBondContact O-N 2.96Å; P118-N121 VanDerWaalsContact O-N 3.12Å
119V97.3Very high98.2Very high63 Ų6338 Ų3838%0.38221%0.208SC..THydrogen-bonded Turntrans-65.9-37.8-178.8177.40000111.9M17 Y20 F98 A117 N121M17-V119 HydrophobicContact CE-CG2 4.08Å; M17-V119 HydrophobicContact SD-CG2 3.71Å; Y20-V119 HydrophobicContact CD1-CG2 4.08Å; Y20-V119 HydrophobicContact CE1-CG2 3.7Å; F98-V119 HydrophobicContact CE1-CG2 3.82Å; F98-V119 HydrophobicContact CE2-CG2 4.23Å; F98-V119 HydrophobicContact CZ-CG2 3.41Å; F98-V119 VanDerWaalsContact CZ-CG2 3.41Å; A117-V119 PolarHBondContact O-N 2.68Å; V119-N121 VanDerWaalsContact C-N 3.27Å
120M96.5Very high98.2Very high80 Ų8035.8 Ų35.839%0.39420%0.198SC..THydrogen-bonded Turntrans-79.3-16.1177.5-57.8-178.1-176.500112E97 A117 P118 V122 I178 L182E97-M120 HydrophobicContact CG-CE 3.84Å; A117-M120 HydrophobicContact CB-CB 4.14Å; A117-M120 HydrophobicContact CB-CG 4.37Å; A117-M120 HydrophobicContact CB-SD 4.35Å; A117-M120 PolarHBondContact O-N 2.97Å; P118-M120 VanDerWaalsContact C-N 3.34Å; P118-M120 PolarHBondContact O-N 2.82Å; M120-V122 HydrophobicContact CB-CB 4.28Å; M120-V122 HydrophobicContact CB-CG2 3.91Å; M120-V122 PolarHBondContact O-N 3.12Å; M120-I178 HydrophobicContact CE-CD1 4.46Å; M120-L182 HydrophobicContact CE-CD1 3.83Å; M120-L182 HydrophobicContact SD-CD1 3.95Å
121N97.5Very high98.2Very high92 Ų9234.9 Ų34.949%0.49219%0.192SC..THydrogen-bonded Turntrans48.945.2-168.5-166.531.1000112.6Y116 A117 P118 V119Y116-N121 PolarHBondContact OH-OD1 2.84Å; Y116-N121 VanDerWaalsContact OH-OD1 3.05Å; A117-N121 PolarHBondContact O-N 3.21Å; P118-N121 PolarHBondContact O-N 2.96Å; P118-N121 VanDerWaalsContact O-N 3.12Å; V119-N121 VanDerWaalsContact C-N 3.27Å
122V98.4Very high98.3Very high4 Ų434.1 Ų34.12%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-116.2134178.1178.50000109Y116 A117 M120 Y124 K133 E134 E135Y116-V122 VanDerWaalsContact CD2-O 3.27Å; Y116-V122 WeakPolarHBondContact CD2-O 3.24Å; A117-V122 PolarHBondContact N-O 2.93Å; A117-V122 PolarHBondContact O-N 2.9Å; M120-V122 HydrophobicContact CB-CB 4.28Å; M120-V122 HydrophobicContact CB-CG2 3.91Å; M120-V122 PolarHBondContact O-N 3.12Å; V122-Y124 HydrophobicContact CB-CE2 4.43Å; V122-Y124 HydrophobicContact CG1-CD2 3.99Å; V122-Y124 HydrophobicContact CG1-CE2 3.32Å; V122-K133 HydrophobicContact CG1-CD 4.41Å; V122-K133 VanDerWaalsContact CG1-CE 3.49Å; V122-K133 HydrophobicContact CG1-CG 4.06Å; V122-E134 WeakPolarHBondContact CA-O 3.46Å; V122-E135 HydrophobicContact CG2-CB 4.15Å; V122-E135 HydrophobicContact CG2-CG 3.86Å; V122-E135 WeakPolarHBondContact CG2-OE1 3.34Å
123M98.8Very high98.2Very high3 Ų335 Ų352%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-121133.5173.8-169.1176.7-60.900110.7C6 R10 V114 V115 Y116 K133 E134C6-M123 HydrophobicContact CB-CE 4.22Å; C6-M123 HydrophobicContact CB-SD 3.41Å; C6-M123 WeakPolarHBondContact CB-SD 3.17Å; C6-M123 WeakPolarHBondContact O-CE 3.5Å; R10-M123 HydrophobicContact CG-CE 3.48Å; R10-M123 VanDerWaalsContact CG-CE 3.48Å; V114-M123 HydrophobicContact CG1-CG 4.08Å; V114-M123 HydrophobicContact CG1-SD 4.11Å; V115-M123 WeakPolarHBondContact O-CA 3.42Å; Y116-M123 HydrophobicContact CD2-CB 3.91Å; Y116-M123 HydrophobicContact CD2-CE 3.7Å; Y116-M123 HydrophobicContact CD2-CG 4.3Å; Y116-M123 HydrophobicContact CE2-CE 4.18Å; Y116-M123 HydrophobicContact CG-CE 4.1Å; M123-K133 CarbonylContact O-C 3.54Å; M123-K133 WeakPolarHBondContact O-CA 3.33Å; M123-E134 HydrophobicContact CB-CB 4.25Å; M123-E134 PolarHBondContact N-O 2.82Å; M123-E134 PolarHBondContact O-N 3.12Å
124Y98.9Very high98.2Very high9 Ų937.9 Ų37.94%0.03520%0.202CC..EExtended strand (participates in β ladder)trans-111.1134.2165.3-56.8-97.9000108.3V114 V115 V122 W132 K133 I142 L182 C185 E189V114-Y124 CarbonylContact C-O 3.52Å; V114-Y124 WeakPolarHBondContact CA-O 3.26Å; V115-Y124 PolarHBondContact N-O 2.79Å; V115-Y124 PolarHBondContact O-N 3.35Å; V122-Y124 HydrophobicContact CB-CE2 4.43Å; V122-Y124 HydrophobicContact CG1-CD2 3.99Å; V122-Y124 HydrophobicContact CG1-CE2 3.32Å; Y124-W132 VanDerWaalsContact CA-O 3.31Å; Y124-W132 WeakPolarHBondContact CA-O 3.44Å; Y124-K133 HydrophobicContact CD1-CB 4.04Å; Y124-K133 HydrophobicContact CD1-CG 4.04Å; Y124-K133 HydrophobicContact CE1-CB 4.03Å; Y124-K133 HydrophobicContact CE1-CD 3.72Å; Y124-K133 HydrophobicContact CE1-CG 3.67Å; Y124-K133 VanDerWaalsContact OH-CE 3.3Å; Y124-K133 WeakPolarHBondContact OH-CE 3.44Å; Y124-I142 HydrophobicContact CD1-CD1 3.87Å; Y124-I142 HydrophobicContact CE1-CD1 4.4Å; Y124-L182 HydrophobicContact CE2-CD2 4.09Å; Y124-C185 HydrophobicContact CD1-CB 3.74Å; Y124-C185 HydrophobicContact CD2-CB 3.58Å; Y124-C185 WeakPolarHBondContact CD2-SG 3.48Å; Y124-C185 HydrophobicContact CE1-CB 3.68Å; Y124-C185 HydrophobicContact CE2-CB 3.53Å; Y124-C185 HydrophobicContact CG-CB 3.69Å; Y124-C185 VanDerWaalsContact CG-SG 3.58Å; Y124-E189 HydrophobicContact CE1-CB 4.32Å; Y124-E189 HydrophobicContact CE1-CG 4.49Å; Y124-E189 PolarHBondContact OH-OE1 3.3Å
125S98.8Very high98.1Very high11 Ų1141.8 Ų41.88%0.07722%0.22CC..EExtended strand (participates in β ladder)trans-139.4149.5-178.665.80000110.4G113 A131 W132G113-S125 CarbonylContact O-C 3.12Å; G113-S125 VanDerWaalsContact O-CA 3.29Å; G113-S125 WeakPolarHBondContact O-CA 3.28Å; S125-A131 CarbonylContact O-C 3.57Å; S125-A131 VanDerWaalsContact O-CA 3.28Å; S125-A131 WeakPolarHBondContact O-CA 3.48Å; S125-W132 PolarHBondContact N-O 3.29Å; S125-W132 PolarHBondContact O-N 2.87Å
126A98.8Very high97.8Very high2 Ų247.3 Ų47.32%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-146.6139.1178.200000111.6L112 G113 K130 A131 V212 A215L112-A126 VanDerWaalsContact CA-O 3.26Å; L112-A126 WeakPolarHBondContact CA-O 3.16Å; G113-A126 PolarHBondContact N-O 3.02Å; G113-A126 PolarHBondContact O-N 3.1Å; A126-K130 WeakPolarHBondContact CA-O 3.24Å; A126-K130 WeakPolarHBondContact CB-O 3.46Å; A126-A131 HydrophobicContact CB-CB 4.25Å; A126-V212 HydrophobicContact CB-CB 4.45Å; A126-V212 HydrophobicContact CB-CG2 4.04Å; A126-A215 HydrophobicContact CB-CB 3.71Å
127A98.4Very high97.4Very high13 Ų1350 Ų5011%0.10729%0.289CS..EExtended strand (participates in β ladder)trans-161157.6171.100000108.4L2 L112 G129 K130L2-A127 HydrophobicContact CD1-CB 4.26Å; L2-A127 HydrophobicContact CD2-CB 4.02Å; L112-A127 HydrophobicContact CD1-CB 4.36Å; L112-A127 HydrophobicContact CG-CB 4.41Å; A127-G129 PolarHBondContact O-N 3.5Å; A127-G129 VanDerWaalsContact O-N 3.09Å; A127-K130 PolarHBondContact N-O 3.27Å; A127-K130 VanDerWaalsContact N-O 3.12Å; A127-K130 PolarHBondContact O-N 2.91Å; A127-K130 VanDerWaalsContact O-O 3.13Å
128E96.6Very high97.3Very high186 Ų18653.8 Ų53.887%0.86931%0.311SS*.THydrogen-bonded Turntrans54.434.8172-57.7178.3-16500113.8K130E128-K130 VanDerWaalsContact C-N 3.27Å; E128-K130 PolarHBondContact O-N 2.97Å
129G96.5Very high97.3Very high62 Ų6256.8 Ų56.864%0.63933%0.332SS*.THydrogen-bonded Turntrans70.318.1178.500000114.8A127A127-G129 PolarHBondContact O-N 3.5Å; A127-G129 VanDerWaalsContact O-N 3.09Å
130K98.6Very high97.3Very high101 Ų10160.5 Ų60.544%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-126.9150.3173.8-64.6177.1-174172.80110.5A126 A127 E128 W132 A215A126-K130 WeakPolarHBondContact CA-O 3.24Å; A126-K130 WeakPolarHBondContact CB-O 3.46Å; A127-K130 PolarHBondContact N-O 3.27Å; A127-K130 VanDerWaalsContact N-O 3.12Å; A127-K130 PolarHBondContact O-N 2.91Å; A127-K130 VanDerWaalsContact O-O 3.13Å; E128-K130 VanDerWaalsContact C-N 3.27Å; E128-K130 PolarHBondContact O-N 2.97Å; K130-W132 HydrophobicContact CB-CH2 3.41Å; K130-W132 VanDerWaalsContact CB-CH2 3.41Å; K130-W132 HydrophobicContact CB-CZ2 3.59Å; K130-W132 HydrophobicContact CB-CZ3 3.93Å; K130-W132 HydrophobicContact CD-CH2 4.24Å; K130-W132 HydrophobicContact CD-CZ2 3.9Å; K130-W132 HydrophobicContact CG-CH2 4.44Å; K130-W132 HydrophobicContact CG-CZ2 4.42Å; K130-W132 VanDerWaalsContact O-CZ3 3.25Å; K130-W132 WeakPolarHBondContact O-CZ3 3.4Å; K130-A215 WeakPolarHBondContact O-CB 3.42Å
131A98.8Very high97.4Very high0 Ų062.4 Ų62.40%035%0.351CS..EExtended strand (participates in β ladder)trans-123.5146.217600000110.9S125 A126 Q141 I142 A215 A216S125-A131 CarbonylContact O-C 3.57Å; S125-A131 VanDerWaalsContact O-CA 3.28Å; S125-A131 WeakPolarHBondContact O-CA 3.48Å; A126-A131 HydrophobicContact CB-CB 4.25Å; A131-Q141 WeakPolarHBondContact O-CA 3.25Å; A131-Q141 VanDerWaalsContact O-CG 3.26Å; A131-Q141 WeakPolarHBondContact O-CG 3.43Å; A131-I142 HydrophobicContact CB-CD1 4.15Å; A131-I142 HydrophobicContact CB-CG1 3.73Å; A131-I142 PolarHBondContact O-N 2.81Å; A131-A215 HydrophobicContact CB-CB 4.1Å; A131-A216 HydrophobicContact CB-CB 3.93Å
132W98.8Very high97.5Very high60 Ų6059 Ų5923%0.22733%0.333CS..EExtended strand (participates in β ladder)trans-130.8151.6178-59.1-97.1000111L2 Y124 S125 K130 K140L2-W132 HydrophobicContact CD2-CE3 4.09Å; L2-W132 HydrophobicContact CD2-CZ3 3.81Å; Y124-W132 VanDerWaalsContact CA-O 3.31Å; Y124-W132 WeakPolarHBondContact CA-O 3.44Å; S125-W132 PolarHBondContact N-O 3.29Å; S125-W132 PolarHBondContact O-N 2.87Å; K130-W132 HydrophobicContact CB-CH2 3.41Å; K130-W132 VanDerWaalsContact CB-CH2 3.41Å; K130-W132 HydrophobicContact CB-CZ2 3.59Å; K130-W132 HydrophobicContact CB-CZ3 3.93Å; K130-W132 HydrophobicContact CD-CH2 4.24Å; K130-W132 HydrophobicContact CD-CZ2 3.9Å; K130-W132 HydrophobicContact CG-CH2 4.44Å; K130-W132 HydrophobicContact CG-CZ2 4.42Å; K130-W132 VanDerWaalsContact O-CZ3 3.25Å; K130-W132 WeakPolarHBondContact O-CZ3 3.4Å; W132-K140 CarbonylContact C-O 3.52Å; W132-K140 VanDerWaalsContact CA-O 3.22Å; W132-K140 WeakPolarHBondContact CA-O 3.48Å
133K98.7Very high97.5Very high28 Ų2865.9 Ų65.912%0.12236%0.364CS..EExtended strand (participates in β ladder)trans-116.1128.3165.9-176.4-174.4-173.6-1750108.4V122 M123 Y124 E135 C139 K140 I142 E189V122-K133 HydrophobicContact CG1-CD 4.41Å; V122-K133 VanDerWaalsContact CG1-CE 3.49Å; V122-K133 HydrophobicContact CG1-CG 4.06Å; M123-K133 CarbonylContact O-C 3.54Å; M123-K133 WeakPolarHBondContact O-CA 3.33Å; Y124-K133 HydrophobicContact CD1-CB 4.04Å; Y124-K133 HydrophobicContact CD1-CG 4.04Å; Y124-K133 HydrophobicContact CE1-CB 4.03Å; Y124-K133 HydrophobicContact CE1-CD 3.72Å; Y124-K133 HydrophobicContact CE1-CG 3.67Å; Y124-K133 VanDerWaalsContact OH-CE 3.3Å; Y124-K133 WeakPolarHBondContact OH-CE 3.44Å; K133-E135 VanDerWaalsContact CE-OE2 3.25Å; K133-E135 WeakPolarHBondContact CE-OE2 3.46Å; K133-E135 IonicContact NZ-OE2 3.86Å; K133-E135 PolarHBondContact NZ-OE2 3.05Å; K133-C139 WeakPolarHBondContact O-CA 3.29Å; K133-K140 PolarHBondContact N-O 3.06Å; K133-K140 PolarHBondContact O-N 3.33Å; K133-I142 HydrophobicContact CB-CD1 4.47Å; K133-I142 HydrophobicContact CB-CG2 3.62Å; K133-E189 WeakPolarHBondContact CD-OE2 3.22Å; K133-E189 IonicContact NZ-OE1 2.76Å; K133-E189 IonicContact NZ-OE2 2.95Å; K133-E189 PolarHBondContact NZ-OE2 3.49Å
134E98.5Very high97.5Very high60 Ų6067.4 Ų67.428%0.2837%0.374SS..EExtended strand (participates in β ladder)trans-110.5124.6169.2-168.7-173.2132.300109.6R10 V122 M123 V138 C139R10-E134 IonicContact CZ-OE1 2.71Å; R10-E134 IonicContact NH2-OE1 2.91Å; R10-E134 PolarHBondContact NH2-OE1 3.46Å; R10-E134 IonicContact NH2-OE2 3.76Å; R10-E134 PolarHBondContact NH2-OE2 3.32Å; V122-E134 WeakPolarHBondContact CA-O 3.46Å; M123-E134 HydrophobicContact CB-CB 4.25Å; M123-E134 PolarHBondContact N-O 2.82Å; M123-E134 PolarHBondContact O-N 3.12Å; E134-V138 WeakPolarHBondContact CA-O 3.22Å; E134-C139 HydrophobicContact CB-CB 4.27Å; E134-C139 HydrophobicContact CG-CB 4.17Å
135E96.6Very high97.4Very high82 Ų8274.4 Ų74.438%0.38340%0.4SS..EExtended strand (participates in β ladder)trans-152.2139.3179.5177.5171.1-140.400108.1V122 K133 G137 V138V122-E135 HydrophobicContact CG2-CB 4.15Å; V122-E135 HydrophobicContact CG2-CG 3.86Å; V122-E135 WeakPolarHBondContact CG2-OE1 3.34Å; K133-E135 VanDerWaalsContact CE-OE2 3.25Å; K133-E135 WeakPolarHBondContact CE-OE2 3.46Å; K133-E135 IonicContact NZ-OE2 3.86Å; K133-E135 PolarHBondContact NZ-OE2 3.05Å; E135-G137 PolarHBondContact O-N 2.96Å; E135-G137 VanDerWaalsContact O-N 3.15Å; E135-V138 PolarHBondContact N-O 3.22Å; E135-V138 VanDerWaalsContact N-O 3.12Å; E135-V138 PolarHBondContact O-N 3.3Å
136C91.9Very high97.4Very high115 Ų11578 Ų7878%0.77742%0.419SS*.THydrogen-bonded Turntrans5335.3-178.9-62.40000114V138C136-V138 PolarHBondContact O-N 2.85Å
137G90.8Very high97.2Very high70 Ų7079.5 Ų79.572%0.72243%0.431SS*.THydrogen-bonded Turntrans73.38.2-178.900000114.8E135E135-G137 PolarHBondContact O-N 2.96Å; E135-G137 VanDerWaalsContact O-N 3.15Å
138V96.5Very high97.1Very high78 Ų7889.1 Ų89.147%0.47346%0.464SS..EExtended strand (participates in β ladder)trans-112.1117.9178.1-172.40000109.5E134 E135 C136 K140E134-V138 WeakPolarHBondContact CA-O 3.22Å; E135-V138 PolarHBondContact N-O 3.22Å; E135-V138 VanDerWaalsContact N-O 3.12Å; E135-V138 PolarHBondContact O-N 3.3Å; C136-V138 PolarHBondContact O-N 2.85Å; V138-K140 HydrophobicContact CG1-CD 4.4Å; V138-K140 HydrophobicContact CG1-CG 3.96Å
139C97.6Very high97Very high73 Ų7382 Ų8249%0.49343%0.434SS..EExtended strand (participates in β ladder)trans-94.1123.7172.1-175.40000110.2K133 E134K133-C139 WeakPolarHBondContact O-CA 3.29Å; E134-C139 HydrophobicContact CB-CB 4.27Å; E134-C139 HydrophobicContact CG-CB 4.17Å
140K98.1Very high97Very high142 Ų14280.4 Ų80.462%0.61741%0.412SS*.EExtended strand (participates in β ladder)trans-128139.3178.3-63.4-176.3-176.7172.90110.3W132 K133 V138W132-K140 CarbonylContact C-O 3.52Å; W132-K140 VanDerWaalsContact CA-O 3.22Å; W132-K140 WeakPolarHBondContact CA-O 3.48Å; K133-K140 PolarHBondContact N-O 3.06Å; K133-K140 PolarHBondContact O-N 3.33Å; V138-K140 HydrophobicContact CG1-CD 4.4Å; V138-K140 HydrophobicContact CG1-CG 3.96Å
141Q98.5Very high97Very high120 Ų12077.3 Ų77.356%0.56140%0.4SS*.EExtended strand (participates in β ladder)trans-65.6137.8168.5-166.6179.3-14.900109.4A131A131-Q141 WeakPolarHBondContact O-CA 3.25Å; A131-Q141 VanDerWaalsContact O-CG 3.26Å; A131-Q141 WeakPolarHBondContact O-CG 3.43Å
142I98.6Very high97Very high21 Ų2177.3 Ų77.311%0.10840%0.4CS..EExtended strand (participates in β ladder)trans-115.9158.1179.559.5173.1000111Y124 A131 K133 A188 E189 V212Y124-I142 HydrophobicContact CD1-CD1 3.87Å; Y124-I142 HydrophobicContact CE1-CD1 4.4Å; A131-I142 HydrophobicContact CB-CD1 4.15Å; A131-I142 HydrophobicContact CB-CG1 3.73Å; A131-I142 PolarHBondContact O-N 2.81Å; K133-I142 HydrophobicContact CB-CD1 4.47Å; K133-I142 HydrophobicContact CB-CG2 3.62Å; I142-A188 HydrophobicContact CD1-CB 4Å; I142-E189 HydrophobicContact CB-CB 4.32Å; I142-E189 HydrophobicContact CD1-CB 4.16Å; I142-E189 HydrophobicContact CG2-CB 4.13Å; I142-V212 HydrophobicContact CD1-CG1 4.44Å
143Q98.5Very high96.9Very high148 Ų14874.4 Ų74.469%0.69239%0.39SS*.  trans-151.8152.4175.562.8-175.4-3.500109A188 A216Q143-A188 CarbonylContact C-O 3.54Å; Q143-A216 WeakPolarHBondContact CA-O 3.4Å
144V98.5Very high96.6Very high35 Ų3574.5 Ų74.521%0.21239%0.391CS..  trans-58.7156.2172.7-63.70000111.6A188 A216 A218 I245V144-A188 PolarHBondContact N-O 3.23Å; V144-A216 HydrophobicContact CG1-CB 4.43Å; V144-A216 PolarHBondContact N-O 2.85Å; V144-A218 HydrophobicContact CG1-CB 3.78Å; V144-I245 HydrophobicContact CB-CB 4.45Å; V144-I245 HydrophobicContact CB-CG2 3.63Å; V144-I245 HydrophobicContact CG1-CG2 3.8Å; V144-I245 HydrophobicContact CG2-CG2 4.2Å
145R98Very high96.1Very high156 Ų15672.2 Ų72.259%0.58938%0.382SS*.  trans-139133.2177.8-170.5-169.5-68.9113.40.6110.3G190 Q193R145-G190 PolarHBondContact NH1-O 2.92Å; R145-Q193 WeakPolarHBondContact O-CG 3.26Å; R145-Q193 PolarHBondContact O-NE2 2.85Å
146D97.1Very high95.3Very high87 Ų8773.8 Ų73.847%0.46538%0.384SS..  trans-66.6146.3169.5-172.210.4000111.3I245 Y246D146-I245 HydrophobicContact CB-CD1 4.12Å; D146-Y246 PolarHBondContact OD1-OH 3.41Å
147A96.2Very high94.4Very high33 Ų3370.2 Ų70.227%0.27336%0.36SS..  trans-150142.9171.900000111P149 P150 Q193A147-P149 CarbonylContact C-O 3.58Å; A147-P149 CarbonylContact O-C 3.51Å; A147-P150 WeakPolarHBondContact O-CA 3.47Å; A147-Q193 VanDerWaalsContact CB-CD 3.44Å; A147-Q193 HydrophobicContact CB-CG 4.08Å
148R95.2Very high93.3Very high215 Ų21570.4 Ų70.481%0.81134%0.343SS*.SBendtrans-132116.7175.4-62.1-171.1-174.6-133.2-0.1109.8
149P95.4Very high92.1Very high37 Ų3771.1 Ų71.124%0.2436%0.357CS..SBendcis-66.7154.4-3.730.2-35.9000112.5A147 E172 Q174A147-P149 CarbonylContact C-O 3.58Å; A147-P149 CarbonylContact O-C 3.51Å; P149-E172 HydrophobicContact CB-CB 4.43Å; P149-E172 HydrophobicContact CB-CG 3.9Å; P149-E172 HydrophobicContact CG-CG 4.37Å; P149-Q174 HydrophobicContact CG-CG 4.35Å
150P97Very high91.2Very high27 Ų2770.1 Ų70.118%0.17535%0.346CS..PPolyproline II helixtrans-68.4146.4176.229.5-35.8000111.4A147 E172 H173 Q174 Q193A147-P150 WeakPolarHBondContact O-CA 3.47Å; P150-E172 WeakPolarHBondContact CD-O 3.41Å; P150-H173 HydrophobicContact CG-CB 4.24Å; P150-Q174 PolarHBondContact O-N 3.08Å; P150-Q193 HydrophobicContact CB-CB 3.95Å; P150-Q193 HydrophobicContact CB-CG 4.47Å
151L98.1Very high90.7Very high36 Ų3667.4 Ų67.419%0.18835%0.35CS..EExtended strand (participates in β ladder)trans-92.2122.1166-176.669.3000109.8Q174 T176 Q191 A192 Q193 L194L151-Q174 HydrophobicContact CD1-CB 3.58Å; L151-T176 HydrophobicContact CD1-CG2 4.22Å; L151-T176 HydrophobicContact CD2-CG2 3.8Å; L151-T176 HydrophobicContact CG-CG2 4.05Å; L151-Q191 WeakPolarHBondContact CD2-O 3.34Å; L151-A192 HydrophobicContact CD2-CB 4.39Å; L151-Q193 PolarHBondContact O-N 3.5Å; L151-L194 PolarHBondContact O-N 3.31Å
152V97.4Very high90.4Very high0 Ų067.1 Ų67.10%035%0.349CS..EExtended strand (participates in β ladder)trans-97.8118.7175.8-167.50000109.3I154 L167 L170 H173 Q174 T175 T176 L194 P196V152-I154 HydrophobicContact CG1-CG2 4Å; V152-L167 HydrophobicContact CB-CD2 4.15Å; V152-L167 HydrophobicContact CG1-CD2 3.92Å; V152-L167 HydrophobicContact CG2-CD2 4.1Å; V152-L170 HydrophobicContact CG2-CD2 3.51Å; V152-H173 HydrophobicContact CG2-CB 4.18Å; V152-Q174 PolarHBondContact N-O 3.33Å; V152-T175 CarbonylContact O-C 3.52Å; V152-T175 VanDerWaalsContact O-CA 3.27Å; V152-T175 WeakPolarHBondContact O-CA 3.3Å; V152-T176 PolarHBondContact O-N 3.14Å; V152-L194 CarbonylContact C-O 3.57Å; V152-L194 WeakPolarHBondContact CA-O 3.27Å; V152-L194 HydrophobicContact CG1-CB 4.25Å; V152-L194 HydrophobicContact CG1-CD2 4.27Å; V152-L194 HydrophobicContact CG1-CG 4.28Å; V152-L194 HydrophobicContact CG2-CB 4.31Å; V152-L194 HydrophobicContact CG2-CD2 4.13Å; V152-P196 VanDerWaalsContact CG1-CD 3.49Å; V152-P196 HydrophobicContact CG1-CG 3.88Å
153V97Very high90Very high0 Ų066.6 Ų66.60%035%0.346CS..EExtended strand (participates in β ladder)trans-89.4126.2171.962.70000109.7T176 I178 K183 L186 V187 A192 L194 Y195V153-T176 WeakPolarHBondContact CA-O 3.48Å; V153-T176 HydrophobicContact CB-CG2 4.02Å; V153-T176 HydrophobicContact CG2-CG2 4.09Å; V153-I178 HydrophobicContact CG2-CG2 3.67Å; V153-K183 HydrophobicContact CG1-CB 4.28Å; V153-K183 HydrophobicContact CG2-CB 4.22Å; V153-K183 HydrophobicContact CG2-CD 4.5Å; V153-K183 HydrophobicContact CG2-CG 3.81Å; V153-L186 HydrophobicContact CG2-CD1 3.94Å; V153-V187 HydrophobicContact CG1-CG2 4.09Å; V153-A192 HydrophobicContact CB-CB 4.06Å; V153-A192 HydrophobicContact CG1-CB 3.96Å; V153-L194 PolarHBondContact N-O 3.27Å; V153-Y195 HydrophobicContact CG1-CD2 4.47Å; V153-Y195 HydrophobicContact CG1-CG 4.12Å; V153-Y195 WeakPolarHBondContact O-CD2 3.34Å
154I93.9Very high89.7Confident29 Ų2966.2 Ų66.215%0.14934%0.342CS..EExtended strand (participates in β ladder)trans-122.3165.5-178.362.5170.1000111.3V152 L163 T176 S177 I178V152-I154 HydrophobicContact CG1-CG2 4Å; I154-L163 HydrophobicContact CB-CD2 4.02Å; I154-L163 HydrophobicContact CD1-CD2 4.21Å; I154-L163 HydrophobicContact CG2-CD1 3.89Å; I154-L163 HydrophobicContact CG2-CD2 3.93Å; I154-L163 HydrophobicContact CG2-CG 4.45Å; I154-T176 WeakPolarHBondContact CG1-O 3.43Å; I154-T176 PolarHBondContact N-O 2.75Å; I154-S177 WeakPolarHBondContact O-CA 3.44Å; I154-I178 PolarHBondContact O-N 3.43Å
155S86.4Confident89.4Confident13 Ų1369.8 Ų69.89%0.09136%0.357CS..  trans-72.8135.4175.8-173.90000111S157 H158S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact OG-N 3.19Å; S155-H158 PolarHBondContact OG-N 2.89Å; S155-H158 PolarHBondContact OG-ND1 3.03Å
156R79.6Confident89.2Confident114 Ų11464.2 Ų64.243%0.4334%0.336SS..SBendtrans-67.2-32.5171.3-174.8169.7-65161.38.9113.2E97 S177E97-R156 VanDerWaalsContact CD-CZ 3.45Å; E97-R156 IonicContact OE1-CZ 3.02Å; E97-R156 IonicContact OE1-NH1 2.69Å; E97-R156 PolarHBondContact OE1-NH1 3.31Å; E97-R156 IonicContact OE1-NH2 2.68Å; E97-R156 PolarHBondContact OE1-NH2 2.76Å; E97-R156 IonicContact OE2-CZ 3.13Å; E97-R156 IonicContact OE2-NE 3.79Å; E97-R156 IonicContact OE2-NH1 2.98Å; E97-R156 PolarHBondContact OE2-NH1 2.71Å; E97-R156 IonicContact OE2-NH2 3.33Å; E97-R156 PolarHBondContact OE2-NH2 2.94Å; R156-S177 PolarHBondContact NH2-O 3.39Å
157S73.4Confident89Confident40 Ų4061.1 Ų61.128%0.2832%0.319SS..SBendtrans-101-2.4-173-66.90000113.4E90 S155E90-S157 PolarHBondContact OE1-OG 2.79Å; S155-S157 VanDerWaalsContact C-N 3.31Å; S155-S157 PolarHBondContact OG-N 3.19Å
158H69.1Low88.9Confident75 Ų7566.2 Ų66.235%0.34734%0.338SS..  trans-138.597.9-177.1-52.380.2000110.4S155 R197S155-H158 PolarHBondContact OG-N 2.89Å; S155-H158 PolarHBondContact OG-ND1 3.03Å; H158-R197 PolarHBondContact ND1-NH1 3.23Å
159A70.4Confident88.9Confident93 Ų9362.6 Ų62.677%0.76933%0.33SS*.  trans-116.7113.4165.900000107.7
160D79.6Confident88.8Confident52 Ų5263.7 Ų63.728%0.27833%0.333SS..  trans-112.7169.7177.453.735.8000111E162 L163 K164D160-E162 VanDerWaalsContact C-N 3.27Å; D160-E162 PolarHBondContact O-N 3.27Å; D160-L163 PolarHBondContact O-N 2.78Å; D160-L163 WeakPolarHBondContact OD1-CB 3.27Å; D160-L163 PolarHBondContact OD1-N 3.47Å; D160-K164 PolarHBondContact O-N 3.21Å
161A87.6Confident88.6Confident84 Ų8464.6 Ų64.669%0.69435%0.347SS*.Hα-helixtrans-64-34.5-179.400000112K164 E165A161-K164 PolarHBondContact O-N 2.79Å; A161-E165 PolarHBondContact O-N 2.94Å
162E90.9Very high88.5Confident114 Ų11470.5 Ų70.553%0.53337%0.374SS..Hα-helixtrans-63.4-44.7178.4-66.8177.883.200111.5D160 K164 E165 Y166 F198D160-E162 VanDerWaalsContact C-N 3.27Å; D160-E162 PolarHBondContact O-N 3.27Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 3Å; E162-E165 PolarHBondContact O-N 3.22Å; E162-Y166 VanDerWaalsContact O-CB 3.31Å; E162-Y166 WeakPolarHBondContact O-CB 3.38Å; E162-Y166 PolarHBondContact O-N 2.6Å; E162-F198 HydrophobicContact CB-CB 4.19Å; E162-F198 HydrophobicContact CB-CD1 3.82Å; E162-F198 HydrophobicContact CB-CD2 4.2Å; E162-F198 HydrophobicContact CB-CE1 4.25Å; E162-F198 HydrophobicContact CB-CG 3.8Å
163L91.8Very high88.5Confident11 Ų1173.2 Ų73.26%0.05839%0.387CS..Hα-helixtrans-59.7-43.3174.5177.862.8000111.5I154 D160 Y166 L167 P196 F198I154-L163 HydrophobicContact CB-CD2 4.02Å; I154-L163 HydrophobicContact CD1-CD2 4.21Å; I154-L163 HydrophobicContact CG2-CD1 3.89Å; I154-L163 HydrophobicContact CG2-CD2 3.93Å; I154-L163 HydrophobicContact CG2-CG 4.45Å; D160-L163 PolarHBondContact O-N 2.78Å; D160-L163 WeakPolarHBondContact OD1-CB 3.27Å; D160-L163 PolarHBondContact OD1-N 3.47Å; L163-Y166 PolarHBondContact O-N 2.81Å; L163-L167 HydrophobicContact CD1-CD1 4.14Å; L163-L167 HydrophobicContact CD1-CG 4.08Å; L163-L167 HydrophobicContact CG-CD1 4.06Å; L163-L167 HydrophobicContact CG-CG 4.39Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.48Å; L163-L167 PolarHBondContact O-N 3.46Å; L163-P196 HydrophobicContact CD1-CB 4.47Å; L163-P196 HydrophobicContact CD1-CG 3.67Å; L163-F198 HydrophobicContact CB-CD2 4.16Å; L163-F198 HydrophobicContact CB-CE2 4.24Å; L163-F198 HydrophobicContact CD1-CE2 4.21Å
164K90.8Very high88.5Confident139 Ų13978.8 Ų78.860%0.60441%0.413SS*.Hα-helixtrans-63-44.4179.5-173.7-179.2178.5-177.10111.4D160 A161 E162 Q168D160-K164 PolarHBondContact O-N 3.21Å; A161-K164 PolarHBondContact O-N 2.79Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 3Å; K164-Q168 VanDerWaalsContact O-CG 3.3Å; K164-Q168 WeakPolarHBondContact O-CG 3.32Å; K164-Q168 PolarHBondContact O-N 3.3Å; K164-Q168 VanDerWaalsContact O-N 3.12Å
165E93.3Very high88.6Confident110 Ų11081 Ų8151%0.51443%0.427SS..Hα-helixtrans-63.6-44.7176.4-179.2171.9-172.200111.3A161 E162 L167 Q168 Q169A161-E165 PolarHBondContact O-N 2.94Å; E162-E165 PolarHBondContact O-N 3.22Å; E165-L167 PolarHBondContact O-N 3.47Å; E165-Q168 WeakPolarHBondContact O-CB 3.45Å; E165-Q168 PolarHBondContact O-N 3.37Å; E165-Q169 WeakPolarHBondContact O-CG 3.41Å; E165-Q169 PolarHBondContact O-N 3.03Å; E165-Q169 VanDerWaalsContact O-N 3.07Å; E165-Q169 PolarHBondContact OE1-NE2 3.01Å
166Y93.2Very high89.1Confident39 Ų3983 Ų8315%0.15344%0.439CS..Hα-helixtrans-59.2-46.3177.4-179-103.9000112.6E162 L163 Q168 Q169 L170 L194 P196 F198 W223E162-Y166 VanDerWaalsContact O-CB 3.31Å; E162-Y166 WeakPolarHBondContact O-CB 3.38Å; E162-Y166 PolarHBondContact O-N 2.6Å; L163-Y166 PolarHBondContact O-N 2.81Å; Y166-Q168 VanDerWaalsContact C-N 3.3Å; Y166-Q168 PolarHBondContact O-N 2.79Å; Y166-Q169 PolarHBondContact O-N 3.01Å; Y166-L170 PolarHBondContact O-N 3.15Å; Y166-L194 HydrophobicContact CE1-CD2 3.78Å; Y166-L194 WeakPolarHBondContact OH-CD2 3.4Å; Y166-P196 HydrophobicContact CD1-CB 4.05Å; Y166-P196 HydrophobicContact CD1-CG 4.11Å; Y166-P196 HydrophobicContact CE1-CB 3.85Å; Y166-P196 HydrophobicContact CE1-CG 4.02Å; Y166-F198 HydrophobicContact CD1-CE2 4.47Å; Y166-F198 HydrophobicContact CD1-CZ 4.34Å; Y166-F198 HydrophobicContact CD2-CZ 4.12Å; Y166-F198 HydrophobicContact CG-CE2 4.26Å; Y166-F198 AromaticContact CG-CZ 3.78Å; Y166-F198 HydrophobicContact CG-CZ 3.78Å; Y166-W223 HydrophobicContact CD2-CH2 4.18Å; Y166-W223 HydrophobicContact CD2-CZ3 4.29Å; Y166-W223 HydrophobicContact CE1-CH2 4.49Å; Y166-W223 AromaticContact CE2-CH2 3.92Å; Y166-W223 HydrophobicContact CE2-CH2 3.92Å; Y166-W223 AromaticContact CE2-CZ3 3.83Å; Y166-W223 HydrophobicContact CE2-CZ3 3.83Å
167L93.6Very high89.8Confident23 Ų2379.6 Ų79.612%0.1243%0.433CS..Hα-helixtrans-63.5-35.8177.3-69.8176.2000112.1V152 L163 E165 Q169 L170 H173 T175V152-L167 HydrophobicContact CB-CD2 4.15Å; V152-L167 HydrophobicContact CG1-CD2 3.92Å; V152-L167 HydrophobicContact CG2-CD2 4.1Å; L163-L167 HydrophobicContact CD1-CD1 4.14Å; L163-L167 HydrophobicContact CD1-CG 4.08Å; L163-L167 HydrophobicContact CG-CD1 4.06Å; L163-L167 HydrophobicContact CG-CG 4.39Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 VanDerWaalsContact O-CG 3.25Å; L163-L167 WeakPolarHBondContact O-CG 3.48Å; L163-L167 PolarHBondContact O-N 3.46Å; E165-L167 PolarHBondContact O-N 3.47Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; L167-L170 PolarHBondContact O-N 2.81Å; L167-H173 PolarHBondContact O-CE1 2.71Å; L167-H173 PolarHBondContact O-ND1 2.85Å; L167-T175 HydrophobicContact CD1-CG2 4.15Å; L167-T175 HydrophobicContact CD2-CG2 4.32Å
168Q93.3Very high90.8Very high140 Ų14078.7 Ų78.765%0.65443%0.425SS*.Hα-helixtrans-65-37.2174.7-74.1174.9-9.600112.3K164 E165 Y166K164-Q168 VanDerWaalsContact O-CG 3.3Å; K164-Q168 WeakPolarHBondContact O-CG 3.32Å; K164-Q168 PolarHBondContact O-N 3.3Å; K164-Q168 VanDerWaalsContact O-N 3.12Å; E165-Q168 WeakPolarHBondContact O-CB 3.45Å; E165-Q168 PolarHBondContact O-N 3.37Å; Y166-Q168 VanDerWaalsContact C-N 3.3Å; Y166-Q168 PolarHBondContact O-N 2.79Å
169Q94.6Very high91.9Very high139 Ų13975.2 Ų75.265%0.6541%0.409SS*.Hα-helixtrans-76.6-22.9179.3-66.8178.115.500113.3E165 Y166 L167 G171E165-Q169 WeakPolarHBondContact O-CG 3.41Å; E165-Q169 PolarHBondContact O-N 3.03Å; E165-Q169 VanDerWaalsContact O-N 3.07Å; E165-Q169 PolarHBondContact OE1-NE2 3.01Å; Y166-Q169 PolarHBondContact O-N 3.01Å; L167-Q169 VanDerWaalsContact C-N 3.33Å; Q169-G171 VanDerWaalsContact C-N 3.27Å; Q169-G171 PolarHBondContact O-N 3.25Å
170L93.6Very high93Very high60 Ų6071.2 Ų71.231%0.31438%0.375SS..Hα-helixtrans-67.5-23.7-176.2-170.964000113.7V152 Y166 L167 H173 L194V152-L170 HydrophobicContact CG2-CD2 3.51Å; Y166-L170 PolarHBondContact O-N 3.15Å; L167-L170 PolarHBondContact O-N 2.81Å; L170-H173 HydrophobicContact CD2-CB 3.98Å; L170-L194 HydrophobicContact CD1-CD2 4.12Å; L170-L194 HydrophobicContact CD2-CD2 3.75Å
171G93.3Very high93.9Very high45 Ų4568.8 Ų68.846%0.46436%0.362SS..  trans87.9-147.9-175.300000112.8Q169 H173Q169-G171 VanDerWaalsContact C-N 3.27Å; Q169-G171 PolarHBondContact O-N 3.25Å; G171-H173 PolarHBondContact O-N 3.33Å; G171-H173 PolarHBondContact O-ND1 2.87Å
172E96.1Very high94.3Very high161 Ų16165 Ų6575%0.75233%0.33SS*.SBendtrans-65.3120.5179.7-167.7-173.8175.400110.8P149 P150P149-E172 HydrophobicContact CB-CB 4.43Å; P149-E172 HydrophobicContact CB-CG 3.9Å; P149-E172 HydrophobicContact CG-CG 4.37Å; P150-E172 WeakPolarHBondContact CD-O 3.41Å
173H96.7Very high94.7Very high57 Ų5760 Ų6026%0.26431%0.307SS..  trans-152.9163.6-17965.4-82.9000111P150 V152 L167 L170 G171P150-H173 HydrophobicContact CG-CB 4.24Å; V152-H173 HydrophobicContact CG2-CB 4.18Å; L167-H173 PolarHBondContact O-CE1 2.71Å; L167-H173 PolarHBondContact O-ND1 2.85Å; L170-H173 HydrophobicContact CD2-CB 3.98Å; G171-H173 PolarHBondContact O-N 3.33Å; G171-H173 PolarHBondContact O-ND1 2.87Å
174Q97.2Very high95Very high117 Ų11759.7 Ų59.755%0.54731%0.305SS..EExtended strand (participates in β ladder)trans-111.9158.2165.8-63.8-178.513.700109.5P149 P150 L151 V152P149-Q174 HydrophobicContact CG-CG 4.35Å; P150-Q174 PolarHBondContact O-N 3.08Å; L151-Q174 HydrophobicContact CD1-CB 3.58Å; V152-Q174 PolarHBondContact N-O 3.33Å
175T96.3Very high95.4Very high75 Ų7553 Ų5346%0.4628%0.276SS..EExtended strand (participates in β ladder)trans-125.9140.7175.659.50000111.9V152 L167V152-T175 CarbonylContact O-C 3.52Å; V152-T175 VanDerWaalsContact O-CA 3.27Å; V152-T175 WeakPolarHBondContact O-CA 3.3Å; L167-T175 HydrophobicContact CD1-CG2 4.15Å; L167-T175 HydrophobicContact CD2-CG2 4.32Å
176T96.4Very high95.6Very high55 Ų5548.8 Ų48.834%0.33726%0.257SS..EExtended strand (participates in β ladder)trans-130159.5165.2-170.10000110.1L151 V152 V153 I154 L186L151-T176 HydrophobicContact CD1-CG2 4.22Å; L151-T176 HydrophobicContact CD2-CG2 3.8Å; L151-T176 HydrophobicContact CG-CG2 4.05Å; V152-T176 PolarHBondContact O-N 3.14Å; V153-T176 WeakPolarHBondContact CA-O 3.48Å; V153-T176 HydrophobicContact CB-CG2 4.02Å; V153-T176 HydrophobicContact CG2-CG2 4.09Å; I154-T176 WeakPolarHBondContact CG1-O 3.43Å; I154-T176 PolarHBondContact N-O 2.75Å; T176-L186 HydrophobicContact CG2-CD1 4.41Å
177S94Very high95.9Very high42 Ų4247 Ų4729%0.29425%0.25SC..EExtended strand (participates in β ladder)trans-129.2133.7179.672.20000112.7I154 R156I154-S177 WeakPolarHBondContact O-CA 3.44Å; R156-S177 PolarHBondContact NH2-O 3.39Å
178I94.7Very high96.1Very high22 Ų2245.9 Ų45.911%0.11324%0.244CC..  trans-146.6148.3176.3-161.3163.7000111.2E97 M120 V153 I154 L182 K183 L186E97-I178 HydrophobicContact CG-CG1 4.25Å; M120-I178 HydrophobicContact CE-CD1 4.46Å; V153-I178 HydrophobicContact CG2-CG2 3.67Å; I154-I178 PolarHBondContact O-N 3.43Å; I178-L182 HydrophobicContact CD1-CB 3.84Å; I178-L182 HydrophobicContact CD1-CD1 3.79Å; I178-L182 HydrophobicContact CD1-CG 4.39Å; I178-L182 HydrophobicContact CG1-CB 4.04Å; I178-L182 HydrophobicContact CG1-CD1 4.01Å; I178-L182 HydrophobicContact CG2-CB 4.22Å; I178-K183 HydrophobicContact CG2-CB 4.37Å; I178-K183 HydrophobicContact CG2-CG 3.46Å; I178-K183 VanDerWaalsContact CG2-CG 3.46Å; I178-K183 WeakPolarHBondContact O-CD 3.48Å; I178-K183 WeakPolarHBondContact O-CG 3.45Å; I178-K183 PolarHBondContact O-NZ 3.46Å; I178-L186 HydrophobicContact CB-CD1 4.41Å; I178-L186 HydrophobicContact CD1-CD1 4.24Å; I178-L186 HydrophobicContact CG2-CD1 3.8Å
179G92.6Very high96.3Very high1 Ų140.3 Ų40.31%0.0122%0.218CC..  trans-66.9168.2174.200000114E97 K183E97-G179 PolarHBondContact OE2-N 3.45Å; G179-K183 VanDerWaalsContact C-NZ 3.31Å; G179-K183 PolarHBondContact O-NZ 2.86Å
180S93.6Very high96.5Very high10 Ų1033.8 Ų33.87%0.0719%0.188CC..SBendtrans49-162.8163.9-51.80000117.6D86 G87 E97 T99 L182 K183D86-S180 VanDerWaalsContact C-OG 3.3Å; D86-S180 WeakPolarHBondContact O-CB 3.47Å; D86-S180 PolarHBondContact O-OG 2.98Å; D86-S180 WeakPolarHBondContact OD2-CA 3.48Å; D86-S180 WeakPolarHBondContact OD2-CB 3.42Å; G87-S180 VanDerWaalsContact CA-OG 3.26Å; G87-S180 WeakPolarHBondContact CA-OG 3.32Å; G87-S180 PolarHBondContact N-OG 2.79Å; E97-S180 PolarHBondContact O-OG 2.87Å; T99-S180 WeakPolarHBondContact OG1-CB 3.28Å; S180-L182 PolarHBondContact O-N 3.37Å; S180-L182 VanDerWaalsContact O-N 3.12Å; S180-K183 WeakPolarHBondContact O-CE 3.16Å; S180-K183 PolarHBondContact O-N 3.08Å; S180-K183 PolarHBondContact O-NZ 3.32Å
181S97.4Very high96.7Very high1 Ų135.9 Ų35.91%0.00720%0.197CC..THydrogen-bonded Turntrans-65.5-9.4-179.766.60000113.7D86 T99 N101 V115 K183 F184D86-S181 WeakPolarHBondContact OD2-CB 3.47Å; D86-S181 PolarHBondContact OD2-N 3.01Å; T99-S181 PolarHBondContact OG1-OG 2.89Å; N101-S181 WeakPolarHBondContact OD1-CB 3.42Å; N101-S181 PolarHBondContact OD1-OG 3.09Å; V115-S181 WeakPolarHBondContact CG1-OG 3.14Å; S181-K183 PolarHBondContact O-N 2.9Å; S181-F184 WeakPolarHBondContact O-CB 3.46Å; S181-F184 WeakPolarHBondContact O-CD2 3.24Å; S181-F184 PolarHBondContact O-N 3.22Å
182L97.8Very high97Very high4 Ų433.8 Ų33.82%0.02118%0.175CC..Hα-helixtrans-52.8-25.5172.5-70.8172.4000113.6T99 A117 M120 Y124 I178 S180 F184 C185 L186T99-L182 HydrophobicContact CG2-CD1 4.3Å; T99-L182 HydrophobicContact CG2-CD2 4.09Å; T99-L182 HydrophobicContact CG2-CG 3.73Å; A117-L182 HydrophobicContact CB-CD1 4.4Å; A117-L182 HydrophobicContact CB-CD2 4.02Å; M120-L182 HydrophobicContact CE-CD1 3.83Å; M120-L182 HydrophobicContact SD-CD1 3.95Å; Y124-L182 HydrophobicContact CE2-CD2 4.09Å; I178-L182 HydrophobicContact CD1-CB 3.84Å; I178-L182 HydrophobicContact CD1-CD1 3.79Å; I178-L182 HydrophobicContact CD1-CG 4.39Å; I178-L182 HydrophobicContact CG1-CB 4.04Å; I178-L182 HydrophobicContact CG1-CD1 4.01Å; I178-L182 HydrophobicContact CG2-CB 4.22Å; S180-L182 PolarHBondContact O-N 3.37Å; S180-L182 VanDerWaalsContact O-N 3.12Å; L182-F184 VanDerWaalsContact C-N 3.31Å; L182-F184 PolarHBondContact O-N 3.5Å; L182-C185 WeakPolarHBondContact O-CB 3.38Å; L182-C185 PolarHBondContact O-N 2.89Å; L182-C185 VanDerWaalsContact O-N 3.12Å; L182-L186 PolarHBondContact O-N 3.13Å
183K97.7Very high97.1Very high10 Ų1026.3 Ų26.34%0.04314%0.14CC..Hα-helixtrans-59.9-40174.1-67.1-178-73.4-64.40112.6V153 I178 G179 S180 S181 C185 Y195V153-K183 HydrophobicContact CG1-CB 4.28Å; V153-K183 HydrophobicContact CG2-CB 4.22Å; V153-K183 HydrophobicContact CG2-CD 4.5Å; V153-K183 HydrophobicContact CG2-CG 3.81Å; I178-K183 HydrophobicContact CG2-CB 4.37Å; I178-K183 HydrophobicContact CG2-CG 3.46Å; I178-K183 VanDerWaalsContact CG2-CG 3.46Å; I178-K183 WeakPolarHBondContact O-CD 3.48Å; I178-K183 WeakPolarHBondContact O-CG 3.45Å; I178-K183 PolarHBondContact O-NZ 3.46Å; G179-K183 VanDerWaalsContact C-NZ 3.31Å; G179-K183 PolarHBondContact O-NZ 2.86Å; S180-K183 WeakPolarHBondContact O-CE 3.16Å; S180-K183 PolarHBondContact O-N 3.08Å; S180-K183 PolarHBondContact O-NZ 3.32Å; S181-K183 PolarHBondContact O-N 2.9Å; K183-C185 VanDerWaalsContact C-N 3.33Å; K183-Y195 HydrophobicContact CB-CD1 3.53Å; K183-Y195 HydrophobicContact CB-CD2 4.1Å; K183-Y195 HydrophobicContact CB-CE1 3.54Å; K183-Y195 HydrophobicContact CB-CE2 4.14Å; K183-Y195 HydrophobicContact CB-CG 3.85Å; K183-Y195 HydrophobicContact CD-CD2 3.98Å; K183-Y195 HydrophobicContact CD-CE1 4.23Å; K183-Y195 HydrophobicContact CD-CE2 3.48Å; K183-Y195 VanDerWaalsContact CD-CE2 3.48Å; K183-Y195 WeakPolarHBondContact CE-OH 3.43Å; K183-Y195 HydrophobicContact CG-CE1 4.49Å; K183-Y195 HydrophobicContact CG-CE2 4.39Å
184F98.7Very high97.1Very high3 Ų324.2 Ų24.21%0.01313%0.131CC..Hα-helixtrans-65-42173.5-66.7-94.7000110.8S181 L182 V187 A188 Y195 T206 G209 A213 V220 F241 V243S181-F184 WeakPolarHBondContact O-CB 3.46Å; S181-F184 WeakPolarHBondContact O-CD2 3.24Å; S181-F184 PolarHBondContact O-N 3.22Å; L182-F184 VanDerWaalsContact C-N 3.31Å; L182-F184 PolarHBondContact O-N 3.5Å; F184-V187 PolarHBondContact O-N 2.89Å; F184-A188 WeakPolarHBondContact O-CB 3.33Å; F184-A188 PolarHBondContact O-N 2.99Å; F184-Y195 HydrophobicContact CD2-CD1 4.38Å; F184-Y195 AromaticContact CD2-CE1 3.97Å; F184-Y195 HydrophobicContact CD2-CE1 3.97Å; F184-Y195 HydrophobicContact CE1-CE1 4.5Å; F184-Y195 HydrophobicContact CE2-CD1 4.44Å; F184-Y195 AromaticContact CE2-CE1 3.72Å; F184-Y195 HydrophobicContact CE2-CE1 3.72Å; F184-Y195 HydrophobicContact CG-CD1 4.47Å; F184-Y195 HydrophobicContact CG-CE1 4.48Å; F184-Y195 AromaticContact CZ-CE1 3.99Å; F184-Y195 HydrophobicContact CZ-CE1 3.99Å; F184-T206 HydrophobicContact CE2-CG2 4.32Å; F184-T206 HydrophobicContact CZ-CG2 3.88Å; F184-G209 WeakPolarHBondContact CB-O 3.39Å; F184-A213 HydrophobicContact CB-CB 4.46Å; F184-A213 HydrophobicContact CD1-CB 4.4Å; F184-V220 HydrophobicContact CE1-CG1 4.16Å; F184-F241 AromaticContact CE1-CE2 3.83Å; F184-F241 HydrophobicContact CE1-CE2 3.83Å; F184-F241 HydrophobicContact CE1-CZ 4.35Å; F184-F241 HydrophobicContact CE2-CE2 4.42Å; F184-F241 HydrophobicContact CE2-CZ 4.27Å; F184-F241 AromaticContact CZ-CE2 3.49Å; F184-F241 HydrophobicContact CZ-CE2 3.49Å; F184-F241 VanDerWaalsContact CZ-CE2 3.49Å; F184-F241 AromaticContact CZ-CZ 3.56Å; F184-F241 HydrophobicContact CZ-CZ 3.56Å; F184-V243 HydrophobicContact CD1-CG2 3.47Å; F184-V243 VanDerWaalsContact CD1-CG2 3.47Å; F184-V243 HydrophobicContact CE1-CG2 3.49Å; F184-V243 VanDerWaalsContact CE1-CG2 3.49Å; F184-V243 HydrophobicContact CG-CG2 4.37Å; F184-V243 HydrophobicContact CZ-CG2 4.42Å
185C98.7Very high97.1Very high0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-64.8-39.9-177.2-57.90000113Y124 L182 K183 V187 A188 E189Y124-C185 HydrophobicContact CD1-CB 3.74Å; Y124-C185 HydrophobicContact CD2-CB 3.58Å; Y124-C185 WeakPolarHBondContact CD2-SG 3.48Å; Y124-C185 HydrophobicContact CE1-CB 3.68Å; Y124-C185 HydrophobicContact CE2-CB 3.53Å; Y124-C185 HydrophobicContact CG-CB 3.69Å; Y124-C185 VanDerWaalsContact CG-SG 3.58Å; L182-C185 WeakPolarHBondContact O-CB 3.38Å; L182-C185 PolarHBondContact O-N 2.89Å; L182-C185 VanDerWaalsContact O-N 3.12Å; K183-C185 VanDerWaalsContact C-N 3.33Å; C185-V187 VanDerWaalsContact C-N 3.28Å; C185-V187 PolarHBondContact O-N 3.48Å; C185-A188 WeakPolarHBondContact O-CB 3.4Å; C185-A188 PolarHBondContact O-N 3.44Å; C185-A188 VanDerWaalsContact O-N 3.17Å; C185-E189 WeakPolarHBondContact O-CG 3.39Å; C185-E189 PolarHBondContact O-N 3.08Å
186L98.3Very high97.1Very high21 Ų2115.7 Ų15.711%0.119%0.085CC..Hα-helixtrans-61.7-36.1175.3-72.1-173.1000112.4V153 T176 I178 L182 Q191 A192V153-L186 HydrophobicContact CG2-CD1 3.94Å; T176-L186 HydrophobicContact CG2-CD1 4.41Å; I178-L186 HydrophobicContact CB-CD1 4.41Å; I178-L186 HydrophobicContact CD1-CD1 4.24Å; I178-L186 HydrophobicContact CG2-CD1 3.8Å; L182-L186 PolarHBondContact O-N 3.13Å; L186-Q191 HydrophobicContact CD2-CB 4.28Å; L186-Q191 PolarHBondContact O-N 3.18Å; L186-A192 HydrophobicContact CB-CB 4.16Å; L186-A192 PolarHBondContact O-N 3.49Å
187V98.7Very high97.1Very high0 Ų014.3 Ų14.30%07%0.074CC..Hα-helixtrans-69.8-46.8172.8-1790000110.3V153 F184 C185 E189 G190 A192 A218 V243 I245V153-V187 HydrophobicContact CG1-CG2 4.09Å; F184-V187 PolarHBondContact O-N 2.89Å; C185-V187 VanDerWaalsContact C-N 3.28Å; C185-V187 PolarHBondContact O-N 3.48Å; V187-E189 VanDerWaalsContact C-N 3.3Å; V187-E189 PolarHBondContact O-N 2.98Å; V187-G190 PolarHBondContact O-N 3.27Å; V187-A192 WeakPolarHBondContact CA-O 3.33Å; V187-A192 HydrophobicContact CG2-CB 4.03Å; V187-A218 HydrophobicContact CG1-CB 4.12Å; V187-V243 HydrophobicContact CB-CG1 4.18Å; V187-V243 HydrophobicContact CG1-CG1 3.92Å; V187-V243 HydrophobicContact CG2-CG1 4.43Å; V187-I245 HydrophobicContact CG1-CG2 4.11Å
188A98.8Very high97Very high0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-58.5-37.7-178.800000113.4I142 Q143 V144 F184 C185 G190 V212 A216I142-A188 HydrophobicContact CD1-CB 4Å; Q143-A188 CarbonylContact C-O 3.54Å; V144-A188 PolarHBondContact N-O 3.23Å; F184-A188 WeakPolarHBondContact O-CB 3.33Å; F184-A188 PolarHBondContact O-N 2.99Å; C185-A188 WeakPolarHBondContact O-CB 3.4Å; C185-A188 PolarHBondContact O-N 3.44Å; C185-A188 VanDerWaalsContact O-N 3.17Å; A188-G190 VanDerWaalsContact C-N 3.28Å; A188-G190 PolarHBondContact O-N 3.45Å; A188-V212 HydrophobicContact CB-CG1 3.71Å; A188-A216 HydrophobicContact CB-CB 3.74Å; A188-A216 VanDerWaalsContact O-CB 3.26Å; A188-A216 WeakPolarHBondContact O-CB 3.4Å
189E98.3Very high96.6Very high23 Ų2313.9 Ų13.911%0.1077%0.071CC..THydrogen-bonded Turntrans-85.93.1177.675.6-178.1118.800114.3Y124 K133 I142 C185 V187 Q191Y124-E189 HydrophobicContact CE1-CB 4.32Å; Y124-E189 HydrophobicContact CE1-CG 4.49Å; Y124-E189 PolarHBondContact OH-OE1 3.3Å; K133-E189 WeakPolarHBondContact CD-OE2 3.22Å; K133-E189 IonicContact NZ-OE1 2.76Å; K133-E189 IonicContact NZ-OE2 2.95Å; K133-E189 PolarHBondContact NZ-OE2 3.49Å; I142-E189 HydrophobicContact CB-CB 4.32Å; I142-E189 HydrophobicContact CD1-CB 4.16Å; I142-E189 HydrophobicContact CG2-CB 4.13Å; C185-E189 WeakPolarHBondContact O-CG 3.39Å; C185-E189 PolarHBondContact O-N 3.08Å; V187-E189 VanDerWaalsContact C-N 3.3Å; V187-E189 PolarHBondContact O-N 2.98Å; E189-Q191 VanDerWaalsContact C-N 3.32Å; E189-Q191 HydrophobicContact CG-CB 4.14Å; E189-Q191 HydrophobicContact CG-CG 3.89Å; E189-Q191 PolarHBondContact O-N 2.9Å; E189-Q191 PolarHBondContact OE1-NE2 3.2Å; E189-Q191 PolarHBondContact OE2-NE2 3.43Å
190G98.1Very high96.4Very high3 Ų318.2 Ų18.23%0.03110%0.099CC..THydrogen-bonded Turntrans71.923.2177.400000114.2R145 V187 A188R145-G190 PolarHBondContact NH1-O 2.92Å; V187-G190 PolarHBondContact O-N 3.27Å; A188-G190 VanDerWaalsContact C-N 3.28Å; A188-G190 PolarHBondContact O-N 3.45Å
191Q97.9Very high96.5Very high104 Ų10418.2 Ų18.249%0.48610%0.098SC..SBendtrans-84-33.4170.1-77.8-169.152.900111.7L151 L186 E189L151-Q191 WeakPolarHBondContact CD2-O 3.34Å; L186-Q191 HydrophobicContact CD2-CB 4.28Å; L186-Q191 PolarHBondContact O-N 3.18Å; E189-Q191 VanDerWaalsContact C-N 3.32Å; E189-Q191 HydrophobicContact CG-CB 4.14Å; E189-Q191 HydrophobicContact CG-CG 3.89Å; E189-Q191 PolarHBondContact O-N 2.9Å; E189-Q191 PolarHBondContact OE1-NE2 3.2Å; E189-Q191 PolarHBondContact OE2-NE2 3.43Å
192A98.3Very high96.5Very high0 Ų020 Ų200%011%0.108CC..  trans-119.2160.4172.200000111.2L151 V153 L186 V187L151-A192 HydrophobicContact CD2-CB 4.39Å; V153-A192 HydrophobicContact CB-CB 4.06Å; V153-A192 HydrophobicContact CG1-CB 3.96Å; L186-A192 HydrophobicContact CB-CB 4.16Å; L186-A192 PolarHBondContact O-N 3.49Å; V187-A192 WeakPolarHBondContact CA-O 3.33Å; V187-A192 HydrophobicContact CG2-CB 4.03Å
193Q98.3Very high96.5Very high4 Ų420.2 Ų20.22%0.01911%0.109CC..SBendtrans-114.2-16.5-178.9-74.266.645.500112.4R145 A147 P150 L151 I245R145-Q193 WeakPolarHBondContact O-CG 3.26Å; R145-Q193 PolarHBondContact O-NE2 2.85Å; A147-Q193 VanDerWaalsContact CB-CD 3.44Å; A147-Q193 HydrophobicContact CB-CG 4.08Å; P150-Q193 HydrophobicContact CB-CB 3.95Å; P150-Q193 HydrophobicContact CB-CG 4.47Å; L151-Q193 PolarHBondContact O-N 3.5Å; Q193-I245 HydrophobicContact CB-CD1 4.22Å; Q193-I245 HydrophobicContact CB-CG1 4.41Å; Q193-I245 HydrophobicContact CG-CD1 3.78Å; Q193-I245 HydrophobicContact CG-CG1 4.5Å
194L97.8Very high96.5Very high14 Ų1420.5 Ų20.57%0.07311%0.109CC..EExtended strand (participates in β ladder)trans-150.1132.6-174.6-171.262.9000111.4L151 V152 V153 Y166 L170 R242 V243L151-L194 PolarHBondContact O-N 3.31Å; V152-L194 CarbonylContact C-O 3.57Å; V152-L194 WeakPolarHBondContact CA-O 3.27Å; V152-L194 HydrophobicContact CG1-CB 4.25Å; V152-L194 HydrophobicContact CG1-CD2 4.27Å; V152-L194 HydrophobicContact CG1-CG 4.28Å; V152-L194 HydrophobicContact CG2-CB 4.31Å; V152-L194 HydrophobicContact CG2-CD2 4.13Å; V153-L194 PolarHBondContact N-O 3.27Å; Y166-L194 HydrophobicContact CE1-CD2 3.78Å; Y166-L194 WeakPolarHBondContact OH-CD2 3.4Å; L170-L194 HydrophobicContact CD1-CD2 4.12Å; L170-L194 HydrophobicContact CD2-CD2 3.75Å; L194-R242 HydrophobicContact CD1-CB 4.49Å; L194-V243 CarbonylContact C-O 3.48Å; L194-V243 WeakPolarHBondContact CA-O 3.44Å
195Y97.5Very high96.4Very high7 Ų721.8 Ų21.83%0.02712%0.117CC..EExtended strand (participates in β ladder)trans-127.998168.4170.7-151.8000109.2V153 K183 F184 R197 F241 R242 V243V153-Y195 HydrophobicContact CG1-CD2 4.47Å; V153-Y195 HydrophobicContact CG1-CG 4.12Å; V153-Y195 WeakPolarHBondContact O-CD2 3.34Å; K183-Y195 HydrophobicContact CB-CD1 3.53Å; K183-Y195 HydrophobicContact CB-CD2 4.1Å; K183-Y195 HydrophobicContact CB-CE1 3.54Å; K183-Y195 HydrophobicContact CB-CE2 4.14Å; K183-Y195 HydrophobicContact CB-CG 3.85Å; K183-Y195 HydrophobicContact CD-CD2 3.98Å; K183-Y195 HydrophobicContact CD-CE1 4.23Å; K183-Y195 HydrophobicContact CD-CE2 3.48Å; K183-Y195 VanDerWaalsContact CD-CE2 3.48Å; K183-Y195 WeakPolarHBondContact CE-OH 3.43Å; K183-Y195 HydrophobicContact CG-CE1 4.49Å; K183-Y195 HydrophobicContact CG-CE2 4.39Å; F184-Y195 HydrophobicContact CD2-CD1 4.38Å; F184-Y195 AromaticContact CD2-CE1 3.97Å; F184-Y195 HydrophobicContact CD2-CE1 3.97Å; F184-Y195 HydrophobicContact CE1-CE1 4.5Å; F184-Y195 HydrophobicContact CE2-CD1 4.44Å; F184-Y195 AromaticContact CE2-CE1 3.72Å; F184-Y195 HydrophobicContact CE2-CE1 3.72Å; F184-Y195 HydrophobicContact CG-CD1 4.47Å; F184-Y195 HydrophobicContact CG-CE1 4.48Å; F184-Y195 AromaticContact CZ-CE1 3.99Å; F184-Y195 HydrophobicContact CZ-CE1 3.99Å; Y195-R197 HydrophobicContact CE2-CB 4.09Å; Y195-F241 HydrophobicContact CD1-CE2 4.21Å; Y195-F241 AromaticContact CE1-CE2 3.77Å; Y195-F241 HydrophobicContact CE1-CE2 3.77Å; Y195-F241 AromaticContact CE1-CZ 3.96Å; Y195-F241 HydrophobicContact CE1-CZ 3.96Å; Y195-R242 CarbonylContact O-C 3.48Å; Y195-R242 VanDerWaalsContact O-CA 3.24Å; Y195-R242 WeakPolarHBondContact O-CA 3.4Å; Y195-V243 HydrophobicContact CD1-CB 4.45Å; Y195-V243 HydrophobicContact CD1-CG2 3.64Å; Y195-V243 HydrophobicContact CE1-CG2 4.48Å; Y195-V243 HydrophobicContact CG-CG2 4.28Å; Y195-V243 PolarHBondContact N-O 3.21Å; Y195-V243 PolarHBondContact O-N 3.04Å
196P96.4Very high96.4Very high5 Ų521.9 Ų21.93%0.03212%0.117CC..EExtended strand (participates in β ladder)trans-87.1139.617433.8-31.2000111.2V152 L163 Y166 F198 W223V152-P196 VanDerWaalsContact CG1-CD 3.49Å; V152-P196 HydrophobicContact CG1-CG 3.88Å; L163-P196 HydrophobicContact CD1-CB 4.47Å; L163-P196 HydrophobicContact CD1-CG 3.67Å; Y166-P196 HydrophobicContact CD1-CB 4.05Å; Y166-P196 HydrophobicContact CD1-CG 4.11Å; Y166-P196 HydrophobicContact CE1-CB 3.85Å; Y166-P196 HydrophobicContact CE1-CG 4.02Å; P196-F198 HydrophobicContact CB-CE2 4.04Å; P196-W223 HydrophobicContact CB-CH2 4.04Å; P196-W223 HydrophobicContact CB-CZ2 4.16Å
197R95.3Very high96.5Very high26 Ų2620.9 Ų20.910%0.09811%0.112CC..EExtended strand (participates in β ladder)trans-135.8116.4175.5-178.163.1179.6-160.2-3.6110.3H158 Y195 G199 P200 T201 W223 G240 F241H158-R197 PolarHBondContact ND1-NH1 3.23Å; Y195-R197 HydrophobicContact CE2-CB 4.09Å; R197-G199 WeakPolarHBondContact CG-O 3.42Å; R197-G199 PolarHBondContact NE-O 3.28Å; R197-P200 PolarHBondContact NH2-O 3.24Å; R197-T201 HydrophobicContact CG-CG2 3.9Å; R197-W223 PolarHBondContact O-NE1 2.66Å; R197-G240 CarbonylContact O-C 3.47Å; R197-G240 WeakPolarHBondContact O-CA 3.28Å; R197-F241 HydrophobicContact CB-CD1 3.99Å; R197-F241 HydrophobicContact CB-CD2 4.31Å; R197-F241 HydrophobicContact CB-CE1 3.68Å; R197-F241 HydrophobicContact CB-CE2 4.01Å; R197-F241 HydrophobicContact CB-CG 4.3Å; R197-F241 HydrophobicContact CB-CZ 3.68Å; R197-F241 HydrophobicContact CG-CD1 4.14Å; R197-F241 HydrophobicContact CG-CE1 3.57Å; R197-F241 HydrophobicContact CG-CZ 3.88Å; R197-F241 PolarHBondContact N-O 2.93Å; R197-F241 PolarHBondContact O-N 3.02Å; R197-F241 VanDerWaalsContact O-O 3.07Å
198F92.5Very high96.5Very high41 Ų4121 Ų2118%0.1811%0.112CC..  trans-99.5-44.6177.6-62.6-86000111.8E162 L163 Y166 P196 W223E162-F198 HydrophobicContact CB-CB 4.19Å; E162-F198 HydrophobicContact CB-CD1 3.82Å; E162-F198 HydrophobicContact CB-CD2 4.2Å; E162-F198 HydrophobicContact CB-CE1 4.25Å; E162-F198 HydrophobicContact CB-CG 3.8Å; L163-F198 HydrophobicContact CB-CD2 4.16Å; L163-F198 HydrophobicContact CB-CE2 4.24Å; L163-F198 HydrophobicContact CD1-CE2 4.21Å; Y166-F198 HydrophobicContact CD1-CE2 4.47Å; Y166-F198 HydrophobicContact CD1-CZ 4.34Å; Y166-F198 HydrophobicContact CD2-CZ 4.12Å; Y166-F198 HydrophobicContact CG-CE2 4.26Å; Y166-F198 AromaticContact CG-CZ 3.78Å; Y166-F198 HydrophobicContact CG-CZ 3.78Å; P196-F198 HydrophobicContact CB-CE2 4.04Å; F198-W223 AromaticContact CD1-CE2 3.83Å; F198-W223 AromaticContact CD1-CZ2 3.81Å; F198-W223 HydrophobicContact CD1-CZ2 3.81Å; F198-W223 AromaticContact CD1-NE1 3.73Å; F198-W223 HydrophobicContact CD2-CZ2 4.32Å; F198-W223 HydrophobicContact CE1-CD2 4.25Å; F198-W223 AromaticContact CE1-CE2 3.51Å; F198-W223 AromaticContact CE1-CH2 3.74Å; F198-W223 HydrophobicContact CE1-CH2 3.74Å; F198-W223 AromaticContact CE1-CZ2 3.24Å; F198-W223 HydrophobicContact CE1-CZ2 3.24Å; F198-W223 HydrophobicContact CE1-CZ3 4.41Å; F198-W223 AromaticContact CE1-NE1 3.91Å; F198-W223 HydrophobicContact CE2-CH2 4.19Å; F198-W223 AromaticContact CE2-CZ2 3.81Å; F198-W223 HydrophobicContact CE2-CZ2 3.81Å; F198-W223 HydrophobicContact CG-CZ2 4.31Å; F198-W223 AromaticContact CZ-CH2 3.43Å; F198-W223 HydrophobicContact CZ-CH2 3.43Å; F198-W223 VanDerWaalsContact CZ-CH2 3.43Å; F198-W223 AromaticContact CZ-CZ2 3.23Å; F198-W223 HydrophobicContact CZ-CZ2 3.23Å; F198-W223 HydrophobicContact CZ-CZ3 4.35Å
199G86.4Confident96.5Very high15 Ų1521 Ų2116%0.15511%0.112CC..SBendtrans-67.1158.7176.500000114.5R197R197-G199 WeakPolarHBondContact CG-O 3.42Å; R197-G199 PolarHBondContact NE-O 3.28Å
200P88.9Confident96.5Very high92 Ų9220.7 Ų20.760%0.59711%0.111SC*.  trans-60.9147-175.426.3-34.8000112.1R197 L237R197-P200 PolarHBondContact NH2-O 3.24Å; P200-L237 HydrophobicContact CB-CD2 4.15Å
201T94.6Very high96.5Very high9 Ų920.8 Ų20.86%0.05511%0.112CC..EExtended strand (participates in β ladder)trans-135.3157165.162.50000108.5R197 D205 T206 L237 N238 F241R197-T201 HydrophobicContact CG-CG2 3.9Å; T201-D205 WeakPolarHBondContact CA-OD2 3.49Å; T201-D205 WeakPolarHBondContact CB-OD2 3.33Å; T201-T206 WeakPolarHBondContact OG1-CG2 3.24Å; T201-L237 CarbonylContact O-C 3.58Å; T201-L237 WeakPolarHBondContact O-CA 3.47Å; T201-N238 PolarHBondContact O-N 3.27Å; T201-N238 PolarHBondContact OG1-ND2 3.37Å; T201-F241 HydrophobicContact CG2-CE1 4.03Å
202N96.8Very high96.6Very high39 Ų3915.9 Ų15.921%0.2099%0.089CC..EExtended strand (participates in β ladder)trans-87160.7168.2-68.4-56.6000111W204 D205 F236 N238N202-W204 HydrophobicContact CB-CD2 3.76Å; N202-W204 HydrophobicContact CB-CE3 4.46Å; N202-W204 HydrophobicContact CB-CG 4.1Å; N202-W204 HydrophobicContact CB-CH2 4.37Å; N202-W204 HydrophobicContact CB-CZ2 3.65Å; N202-W204 VanDerWaalsContact CG-CZ2 3.44Å; N202-W204 PolarHBondContact O-N 2.57Å; N202-D205 PolarHBondContact N-OD2 3.31Å; N202-D205 WeakPolarHBondContact O-CB 3.47Å; N202-D205 PolarHBondContact O-N 2.71Å; N202-F236 CarbonylContact C-O 3.5Å; N202-F236 VanDerWaalsContact CA-O 3.3Å; N202-F236 WeakPolarHBondContact CA-O 3.38Å; N202-N238 VanDerWaalsContact C-ND2 3.29Å; N202-N238 PolarHBondContact O-ND2 3.47Å
203I98.3Very high96.6Very high9 Ų915.9 Ų15.95%0.0469%0.089CC..Hα-helixtrans-58.2-33.417751.8168.6000112.9L62 L81 T206 A207 Y230 F236 N238L62-I203 HydrophobicContact CD2-CD1 3.76Å; L81-I203 HydrophobicContact CD1-CD1 3.97Å; L81-I203 HydrophobicContact CD1-CG1 4.12Å; L81-I203 HydrophobicContact CD2-CB 3.9Å; L81-I203 HydrophobicContact CD2-CD1 4Å; L81-I203 HydrophobicContact CD2-CG1 4.03Å; I203-T206 PolarHBondContact O-N 2.97Å; I203-T206 PolarHBondContact O-OG1 3.05Å; I203-A207 WeakPolarHBondContact O-CB 3.34Å; I203-A207 PolarHBondContact O-N 2.84Å; I203-Y230 HydrophobicContact CB-CD1 3.98Å; I203-Y230 HydrophobicContact CB-CE1 4.26Å; I203-Y230 HydrophobicContact CG2-CD1 4.08Å; I203-Y230 HydrophobicContact CG2-CE1 4.44Å; I203-F236 HydrophobicContact CD1-CD1 3.96Å; I203-F236 HydrophobicContact CG1-CB 4.36Å; I203-F236 HydrophobicContact CG1-CD1 4.35Å; I203-F236 WeakPolarHBondContact CG2-O 3.22Å; I203-F236 PolarHBondContact N-O 3.13Å; I203-N238 WeakPolarHBondContact CA-ND2 3.48Å; I203-N238 WeakPolarHBondContact CG2-OD1 3.21Å; I203-N238 PolarHBondContact N-ND2 2.99Å
204W98.3Very high96.6Very high15 Ų1517.9 Ų17.96%0.05711%0.106CC..Hα-helixtrans-74.4-27.7179.848.775.3000113.1E64 L81 D83 N202 T206 F236E64-W204 HydrophobicContact CB-CD2 3.97Å; E64-W204 HydrophobicContact CB-CG 4.11Å; E64-W204 HydrophobicContact CB-CZ2 4.16Å; E64-W204 VanDerWaalsContact CD-NE1 3.31Å; E64-W204 HydrophobicContact CG-CD2 4.46Å; E64-W204 HydrophobicContact CG-CZ2 3.8Å; E64-W204 VanDerWaalsContact OE2-CD1 3.23Å; E64-W204 PolarHBondContact OE2-NE1 2.97Å; L81-W204 HydrophobicContact CD1-CB 3.86Å; L81-W204 HydrophobicContact CD1-CE3 4.32Å; L81-W204 HydrophobicContact CG-CB 4.16Å; D83-W204 HydrophobicContact CB-CB 4.01Å; D83-W204 HydrophobicContact CB-CG 4.33Å; N202-W204 HydrophobicContact CB-CD2 3.76Å; N202-W204 HydrophobicContact CB-CE3 4.46Å; N202-W204 HydrophobicContact CB-CG 4.1Å; N202-W204 HydrophobicContact CB-CH2 4.37Å; N202-W204 HydrophobicContact CB-CZ2 3.65Å; N202-W204 VanDerWaalsContact CG-CZ2 3.44Å; N202-W204 PolarHBondContact O-N 2.57Å; W204-T206 PolarHBondContact O-N 3.24Å; W204-F236 HydrophobicContact CE3-CB 4.47Å; W204-F236 HydrophobicContact CE3-CD1 4.42Å; W204-F236 HydrophobicContact CE3-CG 4.44Å; W204-F236 HydrophobicContact CH2-CB 3.63Å; W204-F236 HydrophobicContact CH2-CD1 4.18Å; W204-F236 AromaticContact CH2-CD2 3.54Å; W204-F236 HydrophobicContact CH2-CD2 3.54Å; W204-F236 HydrophobicContact CH2-CE2 4.21Å; W204-F236 AromaticContact CH2-CG 3.51Å; W204-F236 HydrophobicContact CH2-CG 3.51Å; W204-F236 HydrophobicContact CZ2-CB 4.45Å; W204-F236 HydrophobicContact CZ3-CB 3.65Å; W204-F236 AromaticContact CZ3-CD1 3.53Å; W204-F236 HydrophobicContact CZ3-CD1 3.53Å; W204-F236 AromaticContact CZ3-CD2 3.75Å; W204-F236 HydrophobicContact CZ3-CD2 3.75Å; W204-F236 HydrophobicContact CZ3-CE1 4.06Å; W204-F236 HydrophobicContact CZ3-CE2 4.25Å; W204-F236 AromaticContact CZ3-CG 3.35Å; W204-F236 HydrophobicContact CZ3-CG 3.35Å; W204-F236 HydrophobicContact CZ3-CZ 4.4Å
205D97.3Very high96.7Very high31 Ų3118.3 Ų18.317%0.16611%0.112CC..Hα-helixtrans-64.7-27171.7-44.1-9.3000112.4T201 N202T201-D205 WeakPolarHBondContact CA-OD2 3.49Å; T201-D205 WeakPolarHBondContact CB-OD2 3.33Å; N202-D205 PolarHBondContact N-OD2 3.31Å; N202-D205 WeakPolarHBondContact O-CB 3.47Å; N202-D205 PolarHBondContact O-N 2.71Å
206T98.5Very high96.7Very high1 Ų118.3 Ų18.31%0.00611%0.113CC..Hα-helixtrans-111.6-28.7-167.566.20000114.3F184 T201 I203 W204 A208 G209 H210 Y230 N238 F241F184-T206 HydrophobicContact CE2-CG2 4.32Å; F184-T206 HydrophobicContact CZ-CG2 3.88Å; T201-T206 WeakPolarHBondContact OG1-CG2 3.24Å; I203-T206 PolarHBondContact O-N 2.97Å; I203-T206 PolarHBondContact O-OG1 3.05Å; W204-T206 PolarHBondContact O-N 3.24Å; T206-A208 PolarHBondContact O-N 3.3Å; T206-G209 PolarHBondContact O-N 2.87Å; T206-H210 WeakPolarHBondContact O-CB 3.4Å; T206-H210 PolarHBondContact O-N 3.21Å; T206-Y230 PolarHBondContact O-OH 3.03Å; T206-Y230 WeakPolarHBondContact OG1-CE1 3.36Å; T206-Y230 PolarHBondContact OG1-OH 2.89Å; T206-N238 WeakPolarHBondContact CG2-ND2 3.44Å; T206-N238 PolarHBondContact OG1-ND2 2.81Å; T206-F241 HydrophobicContact CG2-CE1 3.85Å; T206-F241 HydrophobicContact CG2-CZ 3.92Å
207A98.7Very high96.8Very high1 Ų120.1 Ų20.11%0.00813%0.133CC..Hα-helixtrans-60.7-47.5-168.500000114.3L81 A103 I105 I203 H210 A211 Y230L81-A207 HydrophobicContact CB-CB 4.47Å; L81-A207 HydrophobicContact CD2-CB 3.57Å; L81-A207 HydrophobicContact CG-CB 4.14Å; A103-A207 HydrophobicContact CB-CB 3.62Å; I105-A207 HydrophobicContact CD1-CB 4.05Å; I203-A207 WeakPolarHBondContact O-CB 3.34Å; I203-A207 PolarHBondContact O-N 2.84Å; A207-H210 PolarHBondContact O-N 2.89Å; A207-A211 PolarHBondContact O-N 3.35Å; A207-Y230 WeakPolarHBondContact CA-OH 3.37Å; A207-Y230 HydrophobicContact CB-CD1 4Å; A207-Y230 HydrophobicContact CB-CE1 3.61Å; A207-Y230 PolarHBondContact N-OH 2.99Å
208A98.9Very high97Very high1 Ų119.2 Ų19.21%0.00813%0.131CC..Hα-helixtrans-67.8-45.7-179.500000111.4N101 A103 V114 V115 T206 H210 A211 V212N101-A208 HydrophobicContact CB-CB 3.8Å; A103-A208 HydrophobicContact CB-CB 4.28Å; V114-A208 WeakPolarHBondContact O-CB 3.41Å; V115-A208 HydrophobicContact CG2-CB 3.76Å; T206-A208 PolarHBondContact O-N 3.3Å; A208-H210 VanDerWaalsContact C-N 3.31Å; A208-H210 PolarHBondContact O-N 3.14Å; A208-A211 PolarHBondContact O-N 2.89Å; A208-V212 WeakPolarHBondContact O-CG2 3.36Å; A208-V212 PolarHBondContact O-N 2.77Å; A208-V212 VanDerWaalsContact O-N 3.12Å
209G98.8Very high97.2Very high0 Ų021.1 Ų21.10%014%0.14CC..Hα-helixtrans-60.9-38.9174.700000112.7F184 T206 V212 A213F184-G209 WeakPolarHBondContact CB-O 3.39Å; T206-G209 PolarHBondContact O-N 2.87Å; G209-V212 PolarHBondContact O-N 2.82Å; G209-A213 VanDerWaalsContact O-CB 3.31Å; G209-A213 WeakPolarHBondContact O-CB 3.41Å; G209-A213 PolarHBondContact O-N 3.28Å
210H98.8Very high97.8Very high17 Ų1720.6 Ų20.68%0.07913%0.134CC..Hα-helixtrans-61.4-50.8174.8-175.1153.2000110.4P110 T206 A207 A208 V212 A213 A214 V220 Y230P110-H210 HydrophobicContact CG-CB 4.13Å; T206-H210 WeakPolarHBondContact O-CB 3.4Å; T206-H210 PolarHBondContact O-N 3.21Å; A207-H210 PolarHBondContact O-N 2.89Å; A208-H210 VanDerWaalsContact C-N 3.31Å; A208-H210 PolarHBondContact O-N 3.14Å; H210-V212 VanDerWaalsContact C-N 3.28Å; H210-V212 PolarHBondContact O-N 2.98Å; H210-A213 PolarHBondContact O-N 2.98Å; H210-A214 WeakPolarHBondContact O-CB 3.4Å; H210-A214 PolarHBondContact O-N 3.45Å; H210-V220 HydrophobicContact CB-CG1 4.38Å; H210-V220 HydrophobicContact CB-CG2 4.37Å; H210-Y230 HydrophobicContact CB-CE2 4.43Å; H210-Y230 VanDerWaalsContact CB-OH 3.28Å; H210-Y230 WeakPolarHBondContact CB-OH 3.36Å; H210-Y230 AromaticContact CE1-CE2 3.95Å; H210-Y230 AromaticContact ND1-CE2 3.42Å; H210-Y230 WeakPolarHBondContact ND1-CE2 3.39Å; H210-Y230 AromaticContact ND1-CZ 3.72Å; H210-Y230 PolarHBondContact ND1-OH 3.22Å; H210-Y230 VanDerWaalsContact ND1-OH 3.13Å
211A98.8Very high98.2Very high6 Ų618.3 Ų18.35%0.0512%0.115CC..Hα-helixtrans-54-46.717800000111.8P110 A207 A208 A215P110-A211 HydrophobicContact CB-CB 4.06Å; P110-A211 HydrophobicContact CG-CB 4.46Å; A207-A211 PolarHBondContact O-N 3.35Å; A208-A211 PolarHBondContact O-N 2.89Å; A211-A215 WeakPolarHBondContact O-CB 3.28Å; A211-A215 PolarHBondContact O-N 3.29Å
212V98.9Very high98.3Very high0 Ų018.8 Ų18.80%012%0.118CC..Hα-helixtrans-62.3-49.6178.5171.80000111.5A126 I142 A188 A208 G209 H210 A216A126-V212 HydrophobicContact CB-CB 4.45Å; A126-V212 HydrophobicContact CB-CG2 4.04Å; I142-V212 HydrophobicContact CD1-CG1 4.44Å; A188-V212 HydrophobicContact CB-CG1 3.71Å; A208-V212 WeakPolarHBondContact O-CG2 3.36Å; A208-V212 PolarHBondContact O-N 2.77Å; A208-V212 VanDerWaalsContact O-N 3.12Å; G209-V212 PolarHBondContact O-N 2.82Å; H210-V212 VanDerWaalsContact C-N 3.28Å; H210-V212 PolarHBondContact O-N 2.98Å; V212-A216 WeakPolarHBondContact O-CB 3.36Å; V212-A216 PolarHBondContact O-N 3.42Å; V212-A216 VanDerWaalsContact O-N 3.07Å
213A98.8Very high98.2Very high0 Ų021.5 Ų21.50%013%0.125CC..Hα-helixtrans-63.2-47.5-179.200000112F184 G209 H210 A216 G217 A218 V220 V243F184-A213 HydrophobicContact CB-CB 4.46Å; F184-A213 HydrophobicContact CD1-CB 4.4Å; G209-A213 VanDerWaalsContact O-CB 3.31Å; G209-A213 WeakPolarHBondContact O-CB 3.41Å; G209-A213 PolarHBondContact O-N 3.28Å; H210-A213 PolarHBondContact O-N 2.98Å; A213-A216 PolarHBondContact O-N 3.42Å; A213-G217 PolarHBondContact O-N 3.31Å; A213-A218 HydrophobicContact CB-CB 4.02Å; A213-A218 VanDerWaalsContact O-CB 3.29Å; A213-A218 WeakPolarHBondContact O-CB 3.41Å; A213-A218 PolarHBondContact O-N 3.02Å; A213-V220 HydrophobicContact CB-CG2 4.08Å; A213-V243 HydrophobicContact CB-CG1 3.9Å
214A98.6Very high98.1Very high46 Ų4628.2 Ų28.238%0.3816%0.156SC..Hα-helixtrans-63.4-43.6179.700000112.1H210 A216 G217 A218H210-A214 WeakPolarHBondContact O-CB 3.4Å; H210-A214 PolarHBondContact O-N 3.45Å; A214-A216 PolarHBondContact O-N 3.41Å; A214-G217 PolarHBondContact O-N 3.49Å; A214-A218 WeakPolarHBondContact CA-O 3.37Å
215A98.7Very high98Very high23 Ų2329.8 Ų29.819%0.1918%0.177CC..Hα-helixtrans-69.5-19.7177.800000113.5A126 K130 A131 A211A126-A215 HydrophobicContact CB-CB 3.71Å; K130-A215 WeakPolarHBondContact O-CB 3.42Å; A131-A215 HydrophobicContact CB-CB 4.1Å; A211-A215 WeakPolarHBondContact O-CB 3.28Å; A211-A215 PolarHBondContact O-N 3.29Å
216A98.6Very high98Very high7 Ų733.9 Ų33.96%0.05819%0.193CC..THydrogen-bonded Turntrans-85.9-5.4170.700000113.8A131 Q143 V144 A188 V212 A213 A214A131-A216 HydrophobicContact CB-CB 3.93Å; Q143-A216 WeakPolarHBondContact CA-O 3.4Å; V144-A216 HydrophobicContact CG1-CB 4.43Å; V144-A216 PolarHBondContact N-O 2.85Å; A188-A216 HydrophobicContact CB-CB 3.74Å; A188-A216 VanDerWaalsContact O-CB 3.26Å; A188-A216 WeakPolarHBondContact O-CB 3.4Å; V212-A216 WeakPolarHBondContact O-CB 3.36Å; V212-A216 PolarHBondContact O-N 3.42Å; V212-A216 VanDerWaalsContact O-N 3.07Å; A213-A216 PolarHBondContact O-N 3.42Å; A214-A216 PolarHBondContact O-N 3.41Å
217G98.3Very high97.9Very high44 Ų4437.8 Ų37.845%0.45422%0.219SC..THydrogen-bonded Turntrans100.611.6179.200000115.7A213 A214A213-G217 PolarHBondContact O-N 3.31Å; A214-G217 PolarHBondContact O-N 3.49Å
218A98.6Very high97.8Very high7 Ų738.1 Ų38.16%0.05822%0.22CC..  trans-84.8161.4172.300000112.2V144 V187 A213 A214 V243 S244V144-A218 HydrophobicContact CG1-CB 3.78Å; V187-A218 HydrophobicContact CG1-CB 4.12Å; A213-A218 HydrophobicContact CB-CB 4.02Å; A213-A218 VanDerWaalsContact O-CB 3.29Å; A213-A218 WeakPolarHBondContact O-CB 3.41Å; A213-A218 PolarHBondContact O-N 3.02Å; A214-A218 WeakPolarHBondContact CA-O 3.37Å; A218-V243 HydrophobicContact CB-CG1 3.91Å; A218-S244 CarbonylContact C-O 3.53Å; A218-S244 WeakPolarHBondContact CA-O 3.39Å
219H98.2Very high97.8Very high81 Ų8141.8 Ų41.838%0.37524%0.24SC..EExtended strand (participates in β ladder)trans-103.4133.2170.2-63.9-68.6000110.1H221 V243 S244H219-H221 AromaticContact CG-CE1 3.85Å; H219-H221 AromaticContact ND1-CE1 3.78Å; H219-V243 CarbonylContact O-C 3.58Å; H219-V243 VanDerWaalsContact O-CA 3.25Å; H219-V243 WeakPolarHBondContact O-CA 3.36Å; H219-S244 PolarHBondContact N-O 3.07Å; H219-S244 PolarHBondContact O-N 3.03Å
220V98.4Very high97.7Very high3 Ų341.8 Ų41.82%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-119.695.4176-176.80000107.9F184 H210 A213 P227 L228 F241 V243F184-V220 HydrophobicContact CE1-CG1 4.16Å; H210-V220 HydrophobicContact CB-CG1 4.38Å; H210-V220 HydrophobicContact CB-CG2 4.37Å; A213-V220 HydrophobicContact CB-CG2 4.08Å; V220-P227 WeakPolarHBondContact O-CA 3.25Å; V220-L228 HydrophobicContact CG1-CD1 3.74Å; V220-L228 HydrophobicContact CG1-CG 4.05Å; V220-L228 PolarHBondContact O-N 3.14Å; V220-F241 HydrophobicContact CG1-CD2 4.47Å; V220-V243 HydrophobicContact CG1-CG2 4.47Å; V220-V243 HydrophobicContact CG2-CG1 3.96Å; V220-V243 HydrophobicContact CG2-CG2 4.22Å
221H97.9Very high97.7Very high44 Ų4443.7 Ų43.720%0.20425%0.253CS..EExtended strand (participates in β ladder)trans-122.4146.1-173.5-61.3142.3000111.6H219 K226 F241 R242H219-H221 AromaticContact CG-CE1 3.85Å; H219-H221 AromaticContact ND1-CE1 3.78Å; H221-K226 CarbonylContact C-O 3.54Å; H221-K226 VanDerWaalsContact CA-O 3.26Å; H221-K226 WeakPolarHBondContact CA-O 3.38Å; H221-F241 CarbonylContact O-C 3.6Å; H221-F241 VanDerWaalsContact O-CA 3.23Å; H221-F241 WeakPolarHBondContact O-CA 3.37Å; H221-F241 VanDerWaalsContact O-CB 3.29Å; H221-F241 WeakPolarHBondContact O-CB 3.23Å; H221-R242 PolarHBondContact N-O 3.48Å; H221-R242 PolarHBondContact O-N 3.02Å
222D96.6Very high97.6Very high20 Ų2044.3 Ų44.311%0.10726%0.256CS..EExtended strand (participates in β ladder)trans-65172.6164.1758.9000111.3Q224 G225 K226 P239 G240D222-Q224 PolarHBondContact O-N 3.14Å; D222-Q224 VanDerWaalsContact O-N 3.13Å; D222-Q224 VanDerWaalsContact OD1-C 3.25Å; D222-Q224 VanDerWaalsContact OD1-CA 3.24Å; D222-Q224 WeakPolarHBondContact OD1-CA 3.4Å; D222-Q224 WeakPolarHBondContact OD1-CB 3.39Å; D222-Q224 PolarHBondContact OD1-N 3.37Å; D222-G225 PolarHBondContact O-N 3Å; D222-G225 PolarHBondContact OD1-N 2.8Å; D222-K226 PolarHBondContact N-O 2.83Å; D222-K226 PolarHBondContact OD1-N 2.79Å; D222-P239 HydrophobicContact CB-CB 4.3Å; D222-P239 HydrophobicContact CB-CG 3.82Å; D222-G240 WeakPolarHBondContact CA-O 3.49Å
223W94.7Very high97.5Very high96 Ų9647.7 Ų47.736%0.36427%0.269SS..THydrogen-bonded Turntrans-68.6-5.2177.7-64.3110.5000114.5Y166 P196 R197 F198 G240 R242Y166-W223 HydrophobicContact CD2-CH2 4.18Å; Y166-W223 HydrophobicContact CD2-CZ3 4.29Å; Y166-W223 HydrophobicContact CE1-CH2 4.49Å; Y166-W223 AromaticContact CE2-CH2 3.92Å; Y166-W223 HydrophobicContact CE2-CH2 3.92Å; Y166-W223 AromaticContact CE2-CZ3 3.83Å; Y166-W223 HydrophobicContact CE2-CZ3 3.83Å; P196-W223 HydrophobicContact CB-CH2 4.04Å; P196-W223 HydrophobicContact CB-CZ2 4.16Å; R197-W223 PolarHBondContact O-NE1 2.66Å; F198-W223 AromaticContact CD1-CE2 3.83Å; F198-W223 AromaticContact CD1-CZ2 3.81Å; F198-W223 HydrophobicContact CD1-CZ2 3.81Å; F198-W223 AromaticContact CD1-NE1 3.73Å; F198-W223 HydrophobicContact CD2-CZ2 4.32Å; F198-W223 HydrophobicContact CE1-CD2 4.25Å; F198-W223 AromaticContact CE1-CE2 3.51Å; F198-W223 AromaticContact CE1-CH2 3.74Å; F198-W223 HydrophobicContact CE1-CH2 3.74Å; F198-W223 AromaticContact CE1-CZ2 3.24Å; F198-W223 HydrophobicContact CE1-CZ2 3.24Å; F198-W223 HydrophobicContact CE1-CZ3 4.41Å; F198-W223 AromaticContact CE1-NE1 3.91Å; F198-W223 HydrophobicContact CE2-CH2 4.19Å; F198-W223 AromaticContact CE2-CZ2 3.81Å; F198-W223 HydrophobicContact CE2-CZ2 3.81Å; F198-W223 HydrophobicContact CG-CZ2 4.31Å; F198-W223 AromaticContact CZ-CH2 3.43Å; F198-W223 HydrophobicContact CZ-CH2 3.43Å; F198-W223 VanDerWaalsContact CZ-CH2 3.43Å; F198-W223 AromaticContact CZ-CZ2 3.23Å; F198-W223 HydrophobicContact CZ-CZ2 3.23Å; F198-W223 HydrophobicContact CZ-CZ3 4.35Å; W223-G240 PolarHBondContact N-O 2.93Å; W223-G240 VanDerWaalsContact NE1-C 3.33Å; W223-R242 HydrophobicContact CH2-CB 4.21Å
224Q95.6Very high97.4Very high149 Ų14954.4 Ų54.470%0.69630%0.3SS*.THydrogen-bonded Turntrans-95.8-0.3170.5-58.617815.300112.5D222D222-Q224 PolarHBondContact O-N 3.14Å; D222-Q224 VanDerWaalsContact O-N 3.13Å; D222-Q224 VanDerWaalsContact OD1-C 3.25Å; D222-Q224 VanDerWaalsContact OD1-CA 3.24Å; D222-Q224 WeakPolarHBondContact OD1-CA 3.4Å; D222-Q224 WeakPolarHBondContact OD1-CB 3.39Å; D222-Q224 PolarHBondContact OD1-N 3.37Å
225G95.6Very high97.3Very high48 Ų4855.1 Ų55.150%0.49530%0.302SS..SBendtrans8211.9-178.300000114.6D222D222-G225 PolarHBondContact O-N 3Å; D222-G225 PolarHBondContact OD1-N 2.8Å
226K97.1Very high97.2Very high118 Ų11856 Ų5651%0.51330%0.302SS..PPolyproline II helixtrans-90.3139.1176.3-63.3172.4-178157.20110.2H221 D222 L228H221-K226 CarbonylContact C-O 3.54Å; H221-K226 VanDerWaalsContact CA-O 3.26Å; H221-K226 WeakPolarHBondContact CA-O 3.38Å; D222-K226 PolarHBondContact N-O 2.83Å; D222-K226 PolarHBondContact OD1-N 2.79Å; K226-L228 PolarHBondContact O-N 2.93Å
227P97.1Very high97.1Very high83 Ų8359.8 Ų59.854%0.53932%0.321SS..BIsolated β-bridgetrans-53.6140.7168.4-24.634.2000111.6V220 D229V220-P227 WeakPolarHBondContact O-CA 3.25Å; P227-D229 PolarHBondContact O-N 2.9Å
228L97.6Very high97Very high7 Ų758.1 Ų58.14%0.03730%0.302CS..PPolyproline II helixtrans-57.4125.8169-71.3-176.1000109.3V220 K226 Y230 N238 P239 F241V220-L228 HydrophobicContact CG1-CD1 3.74Å; V220-L228 HydrophobicContact CG1-CG 4.05Å; V220-L228 PolarHBondContact O-N 3.14Å; K226-L228 PolarHBondContact O-N 2.93Å; L228-Y230 HydrophobicContact CB-CE2 4.29Å; L228-N238 HydrophobicContact CD2-CB 4.49Å; L228-P239 HydrophobicContact CD2-CG 3.92Å; L228-F241 HydrophobicContact CD1-CB 4.14Å; L228-F241 HydrophobicContact CD1-CD1 4Å; L228-F241 HydrophobicContact CD1-CD2 4.3Å; L228-F241 HydrophobicContact CD1-CE1 4.49Å; L228-F241 HydrophobicContact CD1-CG 3.89Å; L228-F241 HydrophobicContact CD2-CB 4.03Å; L228-F241 HydrophobicContact CG-CB 4.22Å
229D97.3Very high96.9Very high78 Ų7860.8 Ų60.842%0.41732%0.318SS..  trans-104.9129.6-176.5179.518000110.3P227 T231 R233P227-D229 PolarHBondContact O-N 2.9Å; D229-T231 WeakPolarHBondContact OD1-CB 3.44Å; D229-T231 PolarHBondContact OD1-N 3.26Å; D229-T231 PolarHBondContact OD1-OG1 3.27Å; D229-T231 PolarHBondContact OD2-OG1 3.3Å; D229-R233 PolarHBondContact O-NH1 2.77Å
230Y98.3Very high96.8Very high0 Ų057.7 Ų57.70%031%0.308CS..  trans-107.217.8178.9-55.4-86.4000112Y79 L81 I105 G108 P110 I203 T206 A207 H210 L228Y79-Y230 PolarHBondContact OH-O 2.85Å; L81-Y230 HydrophobicContact CD2-CD1 3.93Å; I105-Y230 HydrophobicContact CD1-CD1 4.4Å; I105-Y230 HydrophobicContact CD1-CD2 4.33Å; I105-Y230 HydrophobicContact CD1-CG 3.95Å; G108-Y230 WeakPolarHBondContact O-CD2 3.49Å; G108-Y230 PolarHBondContact O-N 2.76Å; P110-Y230 HydrophobicContact CB-CE2 4.38Å; P110-Y230 HydrophobicContact CG-CD2 4.13Å; P110-Y230 HydrophobicContact CG-CE2 3.74Å; I203-Y230 HydrophobicContact CB-CD1 3.98Å; I203-Y230 HydrophobicContact CB-CE1 4.26Å; I203-Y230 HydrophobicContact CG2-CD1 4.08Å; I203-Y230 HydrophobicContact CG2-CE1 4.44Å; T206-Y230 PolarHBondContact O-OH 3.03Å; T206-Y230 WeakPolarHBondContact OG1-CE1 3.36Å; T206-Y230 PolarHBondContact OG1-OH 2.89Å; A207-Y230 WeakPolarHBondContact CA-OH 3.37Å; A207-Y230 HydrophobicContact CB-CD1 4Å; A207-Y230 HydrophobicContact CB-CE1 3.61Å; A207-Y230 PolarHBondContact N-OH 2.99Å; H210-Y230 HydrophobicContact CB-CE2 4.43Å; H210-Y230 VanDerWaalsContact CB-OH 3.28Å; H210-Y230 WeakPolarHBondContact CB-OH 3.36Å; H210-Y230 AromaticContact CE1-CE2 3.95Å; H210-Y230 AromaticContact ND1-CE2 3.42Å; H210-Y230 WeakPolarHBondContact ND1-CE2 3.39Å; H210-Y230 AromaticContact ND1-CZ 3.72Å; H210-Y230 PolarHBondContact ND1-OH 3.22Å; H210-Y230 VanDerWaalsContact ND1-OH 3.13Å; L228-Y230 HydrophobicContact CB-CE2 4.29Å
231T97.9Very high96.7Very high57 Ų5757.6 Ų57.635%0.3531%0.307SS..SBendtrans-58.2133.5168.5-58.50000108.9D229 R233D229-T231 WeakPolarHBondContact OD1-CB 3.44Å; D229-T231 PolarHBondContact OD1-N 3.26Å; D229-T231 PolarHBondContact OD1-OG1 3.27Å; D229-T231 PolarHBondContact OD2-OG1 3.3Å; T231-R233 PolarHBondContact O-N 2.93Å
232P97.3Very high96.7Very high19 Ų1959.6 Ų59.612%0.12331%0.313CS..  trans-53.5130.7-180-27.435000112.1W70 R73 W76 Y79W70-P232 WeakPolarHBondContact CH2-O 3.49Å; W70-P232 VanDerWaalsContact CZ3-C 3.47Å; W70-P232 HydrophobicContact CZ3-CB 3.88Å; R73-P232 VanDerWaalsContact O-CB 3.25Å; R73-P232 WeakPolarHBondContact O-CB 3.32Å; R73-P232 WeakPolarHBondContact O-CG 3.22Å; W76-P232 HydrophobicContact CB-CG 4.06Å; W76-P232 WeakPolarHBondContact O-CG 3.5Å; Y79-P232 HydrophobicContact CE1-CG 3.97Å
233R96.4Very high96.8Very high72 Ų7258.6 Ų58.627%0.27231%0.308SS..  trans-145.3157.5174.861.2176.1178.3-103.12.9110.1W70 R73 D229 T231 S235 L237 N238W70-R233 VanDerWaalsContact CZ3-CA 3.47Å; R73-R233 VanDerWaalsContact CZ-O 3.22Å; R73-R233 PolarHBondContact NH1-O 2.76Å; R73-R233 PolarHBondContact NH2-O 3.25Å; D229-R233 PolarHBondContact O-NH1 2.77Å; T231-R233 PolarHBondContact O-N 2.93Å; R233-S235 VanDerWaalsContact C-N 3.31Å; R233-S235 VanDerWaalsContact CG-O 3.24Å; R233-S235 WeakPolarHBondContact CG-O 3.48Å; R233-S235 PolarHBondContact NE-O 3.19Å; R233-S235 PolarHBondContact O-N 2.88Å; R233-L237 PolarHBondContact NH2-O 2.93Å; R233-N238 PolarHBondContact NH2-OD1 3.11Å
234E96.5Very high96.9Very high141 Ų14154.2 Ų54.266%0.65929%0.292SS*.SBendtrans-52.8-45-177.7-75.4-178.7-157.300113.6W70 R73W70-E234 HydrophobicContact CB-CG 4.2Å; W70-E234 HydrophobicContact CD2-CG 3.72Å; W70-E234 HydrophobicContact CE3-CG 4.45Å; W70-E234 HydrophobicContact CG-CG 3.56Å; R73-E234 PolarHBondContact NH2-O 3.09Å
235S96.1Very high96.9Very high60 Ų6048.4 Ų48.442%0.4227%0.265SS..  trans-83.6135178.5-174.40000113R233 L237R233-S235 VanDerWaalsContact C-N 3.31Å; R233-S235 VanDerWaalsContact CG-O 3.24Å; R233-S235 WeakPolarHBondContact CG-O 3.48Å; R233-S235 PolarHBondContact NE-O 3.19Å; R233-S235 PolarHBondContact O-N 2.88Å; S235-L237 VanDerWaalsContact C-N 3.29Å; S235-L237 PolarHBondContact OG-N 3.13Å
236F96.9Very high96.3Very high41 Ų4153.3 Ų53.318%0.1827%0.27CS..  trans-81.2-7.9171.5-57.7-58.9000113.8L62 P67 N202 I203 W204L62-F236 HydrophobicContact CD1-CE1 3.99Å; L62-F236 HydrophobicContact CD1-CZ 4.36Å; L62-F236 HydrophobicContact CD2-CD1 4.42Å; L62-F236 HydrophobicContact CD2-CE1 4.01Å; P67-F236 HydrophobicContact CB-CE2 4.02Å; P67-F236 HydrophobicContact CB-CZ 3.72Å; P67-F236 HydrophobicContact CG-CE2 4.31Å; P67-F236 HydrophobicContact CG-CZ 4.47Å; N202-F236 CarbonylContact C-O 3.5Å; N202-F236 VanDerWaalsContact CA-O 3.3Å; N202-F236 WeakPolarHBondContact CA-O 3.38Å; I203-F236 HydrophobicContact CD1-CD1 3.96Å; I203-F236 HydrophobicContact CG1-CB 4.36Å; I203-F236 HydrophobicContact CG1-CD1 4.35Å; I203-F236 WeakPolarHBondContact CG2-O 3.22Å; I203-F236 PolarHBondContact N-O 3.13Å; W204-F236 HydrophobicContact CE3-CB 4.47Å; W204-F236 HydrophobicContact CE3-CD1 4.42Å; W204-F236 HydrophobicContact CE3-CG 4.44Å; W204-F236 HydrophobicContact CH2-CB 3.63Å; W204-F236 HydrophobicContact CH2-CD1 4.18Å; W204-F236 AromaticContact CH2-CD2 3.54Å; W204-F236 HydrophobicContact CH2-CD2 3.54Å; W204-F236 HydrophobicContact CH2-CE2 4.21Å; W204-F236 AromaticContact CH2-CG 3.51Å; W204-F236 HydrophobicContact CH2-CG 3.51Å; W204-F236 HydrophobicContact CZ2-CB 4.45Å; W204-F236 HydrophobicContact CZ3-CB 3.65Å; W204-F236 AromaticContact CZ3-CD1 3.53Å; W204-F236 HydrophobicContact CZ3-CD1 3.53Å; W204-F236 AromaticContact CZ3-CD2 3.75Å; W204-F236 HydrophobicContact CZ3-CD2 3.75Å; W204-F236 HydrophobicContact CZ3-CE1 4.06Å; W204-F236 HydrophobicContact CZ3-CE2 4.25Å; W204-F236 AromaticContact CZ3-CG 3.35Å; W204-F236 HydrophobicContact CZ3-CG 3.35Å; W204-F236 HydrophobicContact CZ3-CZ 4.4Å
237L97Very high96.3Very high87 Ų8750.1 Ų50.146%0.45526%0.258SS..EExtended strand (participates in β ladder)trans-73.2139.8-176.4-62.7175.6000111.6P200 T201 R233 S235P200-L237 HydrophobicContact CB-CD2 4.15Å; T201-L237 CarbonylContact O-C 3.58Å; T201-L237 WeakPolarHBondContact O-CA 3.47Å; R233-L237 PolarHBondContact NH2-O 2.93Å; S235-L237 VanDerWaalsContact C-N 3.29Å; S235-L237 PolarHBondContact OG-N 3.13Å
238N96.9Very high96.2Very high10 Ų1048.4 Ų48.45%0.05324%0.243CC..EExtended strand (participates in β ladder)trans-89.2151.7165.8-72.3-48.4000111.1T201 N202 I203 T206 L228 R233T201-N238 PolarHBondContact O-N 3.27Å; T201-N238 PolarHBondContact OG1-ND2 3.37Å; N202-N238 VanDerWaalsContact C-ND2 3.29Å; N202-N238 PolarHBondContact O-ND2 3.47Å; I203-N238 WeakPolarHBondContact CA-ND2 3.48Å; I203-N238 WeakPolarHBondContact CG2-OD1 3.21Å; I203-N238 PolarHBondContact N-ND2 2.99Å; T206-N238 WeakPolarHBondContact CG2-ND2 3.44Å; T206-N238 PolarHBondContact OG1-ND2 2.81Å; L228-N238 HydrophobicContact CD2-CB 4.49Å; R233-N238 PolarHBondContact NH2-OD1 3.11Å
239P95.8Very high96.2Very high63 Ų6350.7 Ų50.741%0.40926%0.255SS..PPolyproline II helixtrans-64.2162.4160.632.3-35.7000110.4D222 L228D222-P239 HydrophobicContact CB-CB 4.3Å; D222-P239 HydrophobicContact CB-CG 3.82Å; L228-P239 HydrophobicContact CD2-CG 3.92Å
240G95.4Very high96.1Very high16 Ų1649.1 Ų49.117%0.16525%0.245CC..PPolyproline II helixtrans-56.1145.5165.800000110.9R197 D222 W223R197-G240 CarbonylContact O-C 3.47Å; R197-G240 WeakPolarHBondContact O-CA 3.28Å; D222-G240 WeakPolarHBondContact CA-O 3.49Å; W223-G240 PolarHBondContact N-O 2.93Å; W223-G240 VanDerWaalsContact NE1-C 3.33Å
241F97.1Very high96Very high0 Ų052.1 Ų52.10%026%0.26CS..EExtended strand (participates in β ladder)trans-146.6171.4-172.167-91.1000112.5F184 Y195 R197 T201 T206 V220 H221 L228 V243F184-F241 AromaticContact CE1-CE2 3.83Å; F184-F241 HydrophobicContact CE1-CE2 3.83Å; F184-F241 HydrophobicContact CE1-CZ 4.35Å; F184-F241 HydrophobicContact CE2-CE2 4.42Å; F184-F241 HydrophobicContact CE2-CZ 4.27Å; F184-F241 AromaticContact CZ-CE2 3.49Å; F184-F241 HydrophobicContact CZ-CE2 3.49Å; F184-F241 VanDerWaalsContact CZ-CE2 3.49Å; F184-F241 AromaticContact CZ-CZ 3.56Å; F184-F241 HydrophobicContact CZ-CZ 3.56Å; Y195-F241 HydrophobicContact CD1-CE2 4.21Å; Y195-F241 AromaticContact CE1-CE2 3.77Å; Y195-F241 HydrophobicContact CE1-CE2 3.77Å; Y195-F241 AromaticContact CE1-CZ 3.96Å; Y195-F241 HydrophobicContact CE1-CZ 3.96Å; R197-F241 HydrophobicContact CB-CD1 3.99Å; R197-F241 HydrophobicContact CB-CD2 4.31Å; R197-F241 HydrophobicContact CB-CE1 3.68Å; R197-F241 HydrophobicContact CB-CE2 4.01Å; R197-F241 HydrophobicContact CB-CG 4.3Å; R197-F241 HydrophobicContact CB-CZ 3.68Å; R197-F241 HydrophobicContact CG-CD1 4.14Å; R197-F241 HydrophobicContact CG-CE1 3.57Å; R197-F241 HydrophobicContact CG-CZ 3.88Å; R197-F241 PolarHBondContact N-O 2.93Å; R197-F241 PolarHBondContact O-N 3.02Å; R197-F241 VanDerWaalsContact O-O 3.07Å; T201-F241 HydrophobicContact CG2-CE1 4.03Å; T206-F241 HydrophobicContact CG2-CE1 3.85Å; T206-F241 HydrophobicContact CG2-CZ 3.92Å; V220-F241 HydrophobicContact CG1-CD2 4.47Å; H221-F241 CarbonylContact O-C 3.6Å; H221-F241 VanDerWaalsContact O-CA 3.23Å; H221-F241 WeakPolarHBondContact O-CA 3.37Å; H221-F241 VanDerWaalsContact O-CB 3.29Å; H221-F241 WeakPolarHBondContact O-CB 3.23Å; L228-F241 HydrophobicContact CD1-CB 4.14Å; L228-F241 HydrophobicContact CD1-CD1 4Å; L228-F241 HydrophobicContact CD1-CD2 4.3Å; L228-F241 HydrophobicContact CD1-CE1 4.49Å; L228-F241 HydrophobicContact CD1-CG 3.89Å; L228-F241 HydrophobicContact CD2-CB 4.03Å; L228-F241 HydrophobicContact CG-CB 4.22Å; F241-V243 HydrophobicContact CD2-CG2 4.32Å; F241-V243 HydrophobicContact CE2-CG2 4.09Å
242R97Very high95.8Very high86 Ų8651.8 Ų51.833%0.32525%0.254SS..EExtended strand (participates in β ladder)trans-134.6143.1166.369.2-173.8-169.5-167.52.7111L194 Y195 H221 W223L194-R242 HydrophobicContact CD1-CB 4.49Å; Y195-R242 CarbonylContact O-C 3.48Å; Y195-R242 VanDerWaalsContact O-CA 3.24Å; Y195-R242 WeakPolarHBondContact O-CA 3.4Å; H221-R242 PolarHBondContact N-O 3.48Å; H221-R242 PolarHBondContact O-N 3.02Å; W223-R242 HydrophobicContact CH2-CB 4.21Å
243V98.5Very high95.7Very high0 Ų054.1 Ų54.10%026%0.264CS..EExtended strand (participates in β ladder)trans-98.2121.2162.7-165.60000107.3F184 V187 L194 Y195 A213 A218 H219 V220 F241F184-V243 HydrophobicContact CD1-CG2 3.47Å; F184-V243 VanDerWaalsContact CD1-CG2 3.47Å; F184-V243 HydrophobicContact CE1-CG2 3.49Å; F184-V243 VanDerWaalsContact CE1-CG2 3.49Å; F184-V243 HydrophobicContact CG-CG2 4.37Å; F184-V243 HydrophobicContact CZ-CG2 4.42Å; V187-V243 HydrophobicContact CB-CG1 4.18Å; V187-V243 HydrophobicContact CG1-CG1 3.92Å; V187-V243 HydrophobicContact CG2-CG1 4.43Å; L194-V243 CarbonylContact C-O 3.48Å; L194-V243 WeakPolarHBondContact CA-O 3.44Å; Y195-V243 HydrophobicContact CD1-CB 4.45Å; Y195-V243 HydrophobicContact CD1-CG2 3.64Å; Y195-V243 HydrophobicContact CE1-CG2 4.48Å; Y195-V243 HydrophobicContact CG-CG2 4.28Å; Y195-V243 PolarHBondContact N-O 3.21Å; Y195-V243 PolarHBondContact O-N 3.04Å; A213-V243 HydrophobicContact CB-CG1 3.9Å; A218-V243 HydrophobicContact CB-CG1 3.91Å; H219-V243 CarbonylContact O-C 3.58Å; H219-V243 VanDerWaalsContact O-CA 3.25Å; H219-V243 WeakPolarHBondContact O-CA 3.36Å; V220-V243 HydrophobicContact CG1-CG2 4.47Å; V220-V243 HydrophobicContact CG2-CG1 3.96Å; V220-V243 HydrophobicContact CG2-CG2 4.22Å; F241-V243 HydrophobicContact CD2-CG2 4.32Å; F241-V243 HydrophobicContact CE2-CG2 4.09Å
244S97.6Very high95.7Very high3 Ų352.8 Ų52.82%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-137.4158.9-17855.90000111A218 H219 Y246A218-S244 CarbonylContact C-O 3.53Å; A218-S244 WeakPolarHBondContact CA-O 3.39Å; H219-S244 PolarHBondContact N-O 3.07Å; H219-S244 PolarHBondContact O-N 3.03Å; S244-Y246 VanDerWaalsContact C-N 3.31Å; S244-Y246 WeakPolarHBondContact CB-O 3.3Å; S244-Y246 PolarHBondContact OG-O 3.06Å
245I94.9Very high95.6Very high27 Ų2745.4 Ų45.414%0.13823%0.23CC..  trans-93.63.1170.866.6166.1000112.2V144 D146 V187 Q193V144-I245 HydrophobicContact CB-CB 4.45Å; V144-I245 HydrophobicContact CB-CG2 3.63Å; V144-I245 HydrophobicContact CG1-CG2 3.8Å; V144-I245 HydrophobicContact CG2-CG2 4.2Å; D146-I245 HydrophobicContact CB-CD1 4.12Å; V187-I245 HydrophobicContact CG1-CG2 4.11Å; Q193-I245 HydrophobicContact CB-CD1 4.22Å; Q193-I245 HydrophobicContact CB-CG1 4.41Å; Q193-I245 HydrophobicContact CG-CD1 3.78Å; Q193-I245 HydrophobicContact CG-CG1 4.5Å
246Y84.2Confident95.6Very high152 Ų15244.1 Ų44.160%0.59621%0.213SC*.  trans-1310-177.4-35.7-79.5000111.1D146 S244D146-Y246 PolarHBondContact OD1-OH 3.41Å; S244-Y246 VanDerWaalsContact C-N 3.31Å; S244-Y246 WeakPolarHBondContact CB-O 3.3Å; S244-Y246 PolarHBondContact OG-O 3.06Å

Retrieved 246 of 246 residues in 118.1 ms (Link to these results)

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