A0A077ZBQ8_TRITR Loading...

Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZBQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M61Low92Very high173 Ų17339.2 Ų39.285%0.85221%0.211SC*.  0133.30-73.3163.3172.800107.6T26M1-T26 HydrophobicContact SD-CG2 4.03Å
2T75.1Confident92.2Very high115 Ų11538.5 Ų38.571%0.70622%0.22SC*.  trans-70.7127.4176.7-48.90000108.3L4T2-L4 PolarHBondContact O-N 3.08Å
3N91.7Very high92.4Very high74 Ų7446.2 Ų46.240%0.39626%0.26SS..  trans-70.5109.9177.4-179.422.4000109.8Q5 T26 S27 T28N3-Q5 PolarHBondContact ND2-NE2 2.87Å; N3-Q5 VanDerWaalsContact ND2-NE2 3.13Å; N3-Q5 PolarHBondContact O-NE2 3.36Å; N3-Q5 VanDerWaalsContact O-NE2 3.1Å; N3-T26 PolarHBondContact OD1-O 3.33Å; N3-S27 VanDerWaalsContact OD1-CA 3.23Å; N3-S27 WeakPolarHBondContact OD1-CA 3.44Å; N3-S27 PolarHBondContact OD1-N 3.28Å; N3-T28 PolarHBondContact ND2-OG1 2.83Å; N3-T28 PolarHBondContact OD1-N 3.09Å; N3-T28 PolarHBondContact OD1-OG1 3.11Å
4L96.9Very high92.7Very high15 Ų1546.6 Ų46.68%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-77.1128-176.4-69.8164.5000110.3T2 T26 S27 T28 I67 V286 I289T2-L4 PolarHBondContact O-N 3.08Å; L4-T26 PolarHBondContact N-O 3.31Å; L4-S27 CarbonylContact O-C 3.56Å; L4-S27 VanDerWaalsContact O-CA 3.25Å; L4-S27 WeakPolarHBondContact O-CA 3.28Å; L4-T28 PolarHBondContact O-N 2.84Å; L4-I67 HydrophobicContact CB-CD1 4Å; L4-I67 HydrophobicContact CD1-CD1 4.12Å; L4-I67 HydrophobicContact CG-CD1 4.47Å; L4-V286 HydrophobicContact CD1-CB 4.2Å; L4-V286 HydrophobicContact CD1-CG1 3.88Å; L4-V286 HydrophobicContact CD1-CG2 3.91Å; L4-I289 HydrophobicContact CD1-CD1 4.34Å; L4-I289 HydrophobicContact CD1-CG2 4.32Å; L4-I289 HydrophobicContact CD2-CG2 4.38Å
5Q98.1Very high93Very high39 Ų3943.5 Ų43.518%0.18224%0.243CC..EExtended strand (participates in β ladder)trans-95.4126.4-177.7-53.5-61.5-63.500110N3 T30 D64 I65 S66 I67N3-Q5 PolarHBondContact ND2-NE2 2.87Å; N3-Q5 VanDerWaalsContact ND2-NE2 3.13Å; N3-Q5 PolarHBondContact O-NE2 3.36Å; N3-Q5 VanDerWaalsContact O-NE2 3.1Å; Q5-T30 HydrophobicContact CB-CG2 4.47Å; Q5-T30 WeakPolarHBondContact CB-OG1 3.49Å; Q5-T30 PolarHBondContact OE1-OG1 2.94Å; Q5-D64 WeakPolarHBondContact CB-O 3.26Å; Q5-D64 VanDerWaalsContact CG-O 3.23Å; Q5-D64 WeakPolarHBondContact CG-O 3.33Å; Q5-I65 HydrophobicContact CB-CD1 4.22Å; Q5-S66 PolarHBondContact O-N 3.18Å; Q5-I67 PolarHBondContact O-N 3.23Å
6W98.7Very high93.3Very high0 Ų044.1 Ų44.10%024%0.243CC..EExtended strand (participates in β ladder)trans-102.8139.2-177.1-70.169.7000111.8F18 F22 S27 T28 L29 T30 A31 I67 L92 I282 M285W6-F18 HydrophobicContact CE3-CE1 4.48Å; W6-F18 AromaticContact CE3-CZ 4Å; W6-F18 HydrophobicContact CE3-CZ 4Å; W6-F18 AromaticContact CZ3-CZ 3.98Å; W6-F18 HydrophobicContact CZ3-CZ 3.98Å; W6-F22 HydrophobicContact CB-CE2 4.46Å; W6-F22 HydrophobicContact CB-CZ 4.49Å; W6-F22 AromaticContact CD1-CZ 3.76Å; W6-F22 HydrophobicContact CD2-CE2 4.08Å; W6-F22 HydrophobicContact CD2-CZ 4.32Å; W6-F22 HydrophobicContact CG-CE2 4.04Å; W6-F22 AromaticContact CG-CZ 3.97Å; W6-F22 HydrophobicContact CG-CZ 3.97Å; W6-F22 AromaticContact NE1-CZ 3.99Å; W6-S27 VanDerWaalsContact NE1-CB 3.27Å; W6-S27 PolarHBondContact NE1-OG 2.69Å; W6-T28 PolarHBondContact N-O 2.93Å; W6-L29 HydrophobicContact CB-CD1 3.77Å; W6-T30 PolarHBondContact O-N 3.22Å; W6-A31 PolarHBondContact O-N 3.41Å; W6-A31 VanDerWaalsContact O-N 3.1Å; W6-I67 WeakPolarHBondContact CA-O 3.37Å; W6-I67 HydrophobicContact CD2-CB 3.93Å; W6-I67 HydrophobicContact CD2-CD1 4.16Å; W6-I67 HydrophobicContact CD2-CG2 3.94Å; W6-I67 VanDerWaalsContact CE2-CD1 3.44Å; W6-I67 HydrophobicContact CE3-CB 4.1Å; W6-I67 HydrophobicContact CE3-CG2 3.63Å; W6-I67 HydrophobicContact CG-CB 4.33Å; W6-I67 HydrophobicContact CH2-CD1 4.26Å; W6-I67 HydrophobicContact CH2-CG2 3.78Å; W6-I67 HydrophobicContact CZ2-CB 4.44Å; W6-I67 HydrophobicContact CZ2-CD1 3.48Å; W6-I67 VanDerWaalsContact CZ2-CD1 3.48Å; W6-I67 HydrophobicContact CZ2-CG2 4.04Å; W6-I67 HydrophobicContact CZ3-CB 4.45Å; W6-I67 HydrophobicContact CZ3-CG2 3.56Å; W6-L92 HydrophobicContact CH2-CB 4.33Å; W6-L92 HydrophobicContact CH2-CD2 3.92Å; W6-L92 HydrophobicContact CZ3-CB 4.01Å; W6-L92 HydrophobicContact CZ3-CD2 3.82Å; W6-I282 HydrophobicContact CH2-CB 4.43Å; W6-I282 HydrophobicContact CH2-CG1 4.22Å; W6-I282 HydrophobicContact CH2-CG2 4.13Å; W6-I282 HydrophobicContact CZ2-CB 4.36Å; W6-I282 HydrophobicContact CZ2-CG1 4.49Å; W6-I282 HydrophobicContact CZ2-CG2 3.59Å; W6-M285 HydrophobicContact CH2-CB 3.9Å; W6-M285 HydrophobicContact CH2-CG 3.75Å; W6-M285 HydrophobicContact CZ2-CB 4.16Å; W6-M285 HydrophobicContact CZ2-CG 4.08Å
7G98.7Very high93.6Very high0 Ų044.4 Ų44.40%025%0.249CC..EExtended strand (participates in β ladder)trans-116137.5170.400000111.2A31 I67 I68 Y69G7-A31 CarbonylContact C-O 3.01Å; G7-A31 VanDerWaalsContact CA-O 3.26Å; G7-A31 WeakPolarHBondContact CA-O 3.47Å; G7-I67 PolarHBondContact N-O 3.32Å; G7-I68 CarbonylContact O-C 3.57Å; G7-I68 WeakPolarHBondContact O-CA 3.24Å; G7-Y69 PolarHBondContact O-N 3.2Å
8I98.8Very high93.8Very high0 Ų041.9 Ų41.90%024%0.235CC..EExtended strand (participates in β ladder)trans-101127.8173.5-56.2-178.1000110.9G10 L11 A15 F18 A19 L29 A31 C32 A33 F43 L59 Y69I8-G10 VanDerWaalsContact CG2-O 3.25Å; I8-G10 WeakPolarHBondContact CG2-O 3.15Å; I8-L11 HydrophobicContact CB-CD2 4.34Å; I8-L11 HydrophobicContact CG2-CD2 3.9Å; I8-A15 HydrophobicContact CG2-CB 4Å; I8-F18 HydrophobicContact CD1-CD1 4Å; I8-A19 HydrophobicContact CD1-CB 4.45Å; I8-L29 HydrophobicContact CD1-CD1 3.9Å; I8-L29 HydrophobicContact CD1-CD2 3.99Å; I8-L29 HydrophobicContact CD1-CG 4.35Å; I8-L29 HydrophobicContact CG1-CD1 3.8Å; I8-A31 PolarHBondContact N-O 3.23Å; I8-C32 HydrophobicContact CB-CB 4.26Å; I8-A33 PolarHBondContact O-N 2.95Å; I8-F43 HydrophobicContact CD1-CE1 3.97Å; I8-F43 HydrophobicContact CD1-CZ 4.11Å; I8-L59 WeakPolarHBondContact O-CD2 3.43Å; I8-Y69 HydrophobicContact CG1-CD1 4.22Å; I8-Y69 HydrophobicContact CG2-CD1 4.11Å
9V98.4Very high94Very high4 Ų440.4 Ų40.42%0.02423%0.228CC..EExtended strand (participates in β ladder)trans-104.1116.1167.1170.90000109.1Y56 L59 I68 Y69 A71 V72 H80V9-Y56 HydrophobicContact CG1-CD1 3.94Å; V9-Y56 HydrophobicContact CG1-CD2 3.98Å; V9-Y56 HydrophobicContact CG1-CE1 3.87Å; V9-Y56 HydrophobicContact CG1-CE2 3.9Å; V9-Y56 HydrophobicContact CG1-CG 3.99Å; V9-Y56 HydrophobicContact CG2-CD1 4.39Å; V9-L59 HydrophobicContact CG2-CD2 3.78Å; V9-I68 HydrophobicContact CB-CG2 4.2Å; V9-I68 HydrophobicContact CG2-CG2 3.6Å; V9-Y69 PolarHBondContact N-O 3.42Å; V9-A71 PolarHBondContact O-N 3.49Å; V9-V72 HydrophobicContact CG1-CG1 3.93Å; V9-H80 HydrophobicContact CG1-CB 4.33Å
10G96.6Very high94.2Very high4 Ų445.9 Ų45.94%0.04125%0.252CS..  trans92.9124.6-177.700000112.1I8 A15I8-G10 VanDerWaalsContact CG2-O 3.25Å; I8-G10 WeakPolarHBondContact CG2-O 3.15Å; G10-A15 WeakPolarHBondContact O-CB 3.43Å
11L97.5Very high94.3Very high7 Ų745.6 Ų45.64%0.03725%0.253CS..  trans-120.956.4-171.3-49.4178.4000109.9I8 C32 K39 A40 F43I8-L11 HydrophobicContact CB-CD2 4.34Å; I8-L11 HydrophobicContact CG2-CD2 3.9Å; L11-C32 HydrophobicContact CD2-CB 3.76Å; L11-K39 HydrophobicContact CD1-CG 4.41Å; L11-K39 VanDerWaalsContact O-CE 3.24Å; L11-K39 WeakPolarHBondContact O-CE 3.24Å; L11-K39 PolarHBondContact O-NZ 3.36Å; L11-A40 HydrophobicContact CD1-CB 4.26Å; L11-F43 HydrophobicContact CB-CD2 3.89Å; L11-F43 HydrophobicContact CB-CE2 4.3Å; L11-F43 HydrophobicContact CB-CG 4.35Å; L11-F43 HydrophobicContact CD1-CB 3.76Å; L11-F43 HydrophobicContact CD1-CD2 4.39Å; L11-F43 HydrophobicContact CD1-CG 4.03Å; L11-F43 HydrophobicContact CD2-CD1 3.98Å; L11-F43 HydrophobicContact CD2-CD2 4.07Å; L11-F43 HydrophobicContact CD2-CE1 4.14Å; L11-F43 HydrophobicContact CD2-CE2 4.21Å; L11-F43 HydrophobicContact CD2-CG 3.94Å; L11-F43 HydrophobicContact CD2-CZ 4.25Å; L11-F43 HydrophobicContact CG-CD2 4.31Å; L11-F43 HydrophobicContact CG-CG 4.31Å
12G94.7Very high96Very high31 Ų3139.1 Ų39.132%0.3222%0.22SC..SBendtrans-95.8-172.6172.900000111.6I14 A15 H16G12-I14 VanDerWaalsContact C-N 3.26Å; G12-I14 PolarHBondContact O-N 3.23Å; G12-A15 WeakPolarHBondContact O-CB 3.31Å; G12-A15 PolarHBondContact O-N 3.45Å; G12-H16 PolarHBondContact O-CD2 3.41Å; G12-H16 PolarHBondContact O-N 3.31Å; G12-H16 VanDerWaalsContact O-N 3.15Å
13D95.1Very high97Very high139 Ų13939.7 Ų39.774%0.74322%0.219SC*.Hα-helixtrans-53.8-40.5-175.4-58-20000113.3A15 H16 S17D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 3.07Å; D13-H16 WeakPolarHBondContact O-CB 3.44Å; D13-H16 PolarHBondContact O-N 2.97Å; D13-S17 PolarHBondContact O-N 3.09Å; D13-S17 PolarHBondContact O-OG 3.25Å
14I95.8Very high97.1Very high52 Ų5237.9 Ų37.927%0.26721%0.208SC..Hα-helixtrans-68.8-33.2-179.8-164.862.4000112.4G12 H16 S17 F18 A71 E94 M278G12-I14 VanDerWaalsContact C-N 3.26Å; G12-I14 PolarHBondContact O-N 3.23Å; I14-H16 VanDerWaalsContact C-N 3.34Å; I14-S17 PolarHBondContact O-N 3.41Å; I14-F18 WeakPolarHBondContact O-CB 3.3Å; I14-F18 PolarHBondContact O-N 3.44Å; I14-A71 HydrophobicContact CG2-CB 3.83Å; I14-E94 HydrophobicContact CG1-CG 4.19Å; I14-E94 WeakPolarHBondContact CG1-OE1 3.34Å; I14-E94 HydrophobicContact CG2-CG 4.17Å; I14-M278 HydrophobicContact CD1-CE 3.48Å; I14-M278 VanDerWaalsContact CD1-CE 3.48Å; I14-M278 HydrophobicContact CG1-CE 4.41Å
15A98Very high96.9Very high0 Ų043.8 Ų43.80%025%0.245CC..Hα-helixtrans-67-37.8173.800000111.5I8 G10 G12 D13 F18 A19 F43 A71I8-A15 HydrophobicContact CG2-CB 4Å; G10-A15 WeakPolarHBondContact O-CB 3.43Å; G12-A15 WeakPolarHBondContact O-CB 3.31Å; G12-A15 PolarHBondContact O-N 3.45Å; D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 3.07Å; A15-F18 PolarHBondContact O-N 3.24Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 3.18Å; A15-F43 HydrophobicContact CB-CE2 4.15Å; A15-F43 HydrophobicContact CB-CZ 4.15Å; A15-F43 WeakPolarHBondContact O-CZ 3.34Å; A15-A71 HydrophobicContact CB-CB 3.99Å
16H98.2Very high96.7Very high52 Ų5243.4 Ų43.424%0.24125%0.245CC..Hα-helixtrans-60.3-47.8171.8-80.1-84.3000111G12 D13 I14 F18 A19 E20 F43 Q46 Y47G12-H16 PolarHBondContact O-CD2 3.41Å; G12-H16 PolarHBondContact O-N 3.31Å; G12-H16 VanDerWaalsContact O-N 3.15Å; D13-H16 WeakPolarHBondContact O-CB 3.44Å; D13-H16 PolarHBondContact O-N 2.97Å; I14-H16 VanDerWaalsContact C-N 3.34Å; H16-F18 PolarHBondContact O-N 3.14Å; H16-A19 PolarHBondContact O-N 3.37Å; H16-E20 VanDerWaalsContact O-CB 3.29Å; H16-E20 WeakPolarHBondContact O-CB 3.31Å; H16-E20 PolarHBondContact O-N 3.43Å; H16-F43 AromaticContact CD2-CE2 3.89Å; H16-F43 AromaticContact CE1-CD2 3.68Å; H16-F43 AromaticContact CE1-CE2 3.87Å; H16-F43 AromaticContact CG-CE2 3.88Å; H16-F43 AromaticContact ND1-CE2 3.88Å; H16-F43 AromaticContact NE2-CD2 3.73Å; H16-F43 AromaticContact NE2-CE2 3.88Å; H16-Q46 PolarHBondContact ND1-NE2 3.47Å; H16-Y47 VanDerWaalsContact CA-OH 3.31Å; H16-Y47 WeakPolarHBondContact CA-OH 3.3Å; H16-Y47 HydrophobicContact CB-CE2 4.44Å; H16-Y47 WeakPolarHBondContact CB-OH 3.44Å; H16-Y47 AromaticContact CE1-CE2 3.89Å; H16-Y47 AromaticContact ND1-CE2 3.26Å; H16-Y47 VanDerWaalsContact ND1-CE2 3.26Å; H16-Y47 WeakPolarHBondContact ND1-CE2 3.08Å; H16-Y47 AromaticContact ND1-CZ 3.44Å; H16-Y47 PolarHBondContact ND1-OH 2.89Å; H16-Y47 PolarHBondContact O-OH 3.39Å
17S97.1Very high96.6Very high49 Ų4943.6 Ų43.634%0.34325%0.247SC..Hα-helixtrans-62.6-40176-60.30000112.9D13 I14 S21D13-S17 PolarHBondContact O-N 3.09Å; D13-S17 PolarHBondContact O-OG 3.25Å; I14-S17 PolarHBondContact O-N 3.41Å; S17-S21 VanDerWaalsContact O-CB 3.28Å; S17-S21 WeakPolarHBondContact O-CB 3.33Å; S17-S21 PolarHBondContact O-N 3.29Å; S17-S21 PolarHBondContact O-OG 3.4Å
18F97.9Very high96.6Very high1 Ų146 Ų460%0.00426%0.261CS..Hα-helixtrans-62.9-48.2176.9-177.1-93.8000111.2W6 I8 I14 A15 H16 S21 F22 L29 Y69 L92 M278 I282W6-F18 HydrophobicContact CE3-CE1 4.48Å; W6-F18 AromaticContact CE3-CZ 4Å; W6-F18 HydrophobicContact CE3-CZ 4Å; W6-F18 AromaticContact CZ3-CZ 3.98Å; W6-F18 HydrophobicContact CZ3-CZ 3.98Å; I8-F18 HydrophobicContact CD1-CD1 4Å; I14-F18 WeakPolarHBondContact O-CB 3.3Å; I14-F18 PolarHBondContact O-N 3.44Å; A15-F18 PolarHBondContact O-N 3.24Å; H16-F18 PolarHBondContact O-N 3.14Å; F18-S21 PolarHBondContact O-N 3.24Å; F18-F22 HydrophobicContact CD1-CD2 4.23Å; F18-F22 AromaticContact CE1-CD2 3.54Å; F18-F22 HydrophobicContact CE1-CD2 3.54Å; F18-F22 AromaticContact CE1-CE2 3.83Å; F18-F22 HydrophobicContact CE1-CE2 3.83Å; F18-F22 AromaticContact CZ-CD2 3.79Å; F18-F22 HydrophobicContact CZ-CD2 3.79Å; F18-F22 AromaticContact CZ-CE2 3.86Å; F18-F22 HydrophobicContact CZ-CE2 3.86Å; F18-F22 WeakPolarHBondContact O-CB 3.34Å; F18-F22 PolarHBondContact O-N 2.66Å; F18-L29 HydrophobicContact CE1-CD1 4.04Å; F18-Y69 HydrophobicContact CB-CD1 4.28Å; F18-Y69 HydrophobicContact CB-CE1 3.56Å; F18-Y69 AromaticContact CD1-CD1 3.6Å; F18-Y69 HydrophobicContact CD1-CD1 3.6Å; F18-Y69 AromaticContact CD1-CE1 3.79Å; F18-Y69 HydrophobicContact CD1-CE1 3.79Å; F18-Y69 HydrophobicContact CD1-CG 4.23Å; F18-Y69 HydrophobicContact CD2-CD1 4.09Å; F18-Y69 HydrophobicContact CD2-CD2 4.31Å; F18-Y69 AromaticContact CD2-CE1 3.76Å; F18-Y69 HydrophobicContact CD2-CE1 3.76Å; F18-Y69 HydrophobicContact CD2-CE2 4.01Å; F18-Y69 HydrophobicContact CD2-CG 4.35Å; F18-Y69 AromaticContact CD2-CZ 3.71Å; F18-Y69 AromaticContact CE1-CD1 3.85Å; F18-Y69 HydrophobicContact CE1-CD1 3.85Å; F18-Y69 HydrophobicContact CE1-CE1 4.4Å; F18-Y69 HydrophobicContact CE1-CG 4.02Å; F18-Y69 HydrophobicContact CE2-CD1 4.31Å; F18-Y69 HydrophobicContact CE2-CD2 4.08Å; F18-Y69 HydrophobicContact CE2-CE1 4.38Å; F18-Y69 HydrophobicContact CE2-CE2 4.16Å; F18-Y69 HydrophobicContact CE2-CG 4.16Å; F18-Y69 AromaticContact CG-CD1 3.72Å; F18-Y69 HydrophobicContact CG-CD1 3.72Å; F18-Y69 AromaticContact CG-CE1 3.42Å; F18-Y69 HydrophobicContact CG-CE1 3.42Å; F18-Y69 VanDerWaalsContact CG-CE1 3.42Å; F18-Y69 HydrophobicContact CG-CG 4.38Å; F18-Y69 AromaticContact CG-CZ 3.86Å; F18-Y69 HydrophobicContact CZ-CD1 4.2Å; F18-Y69 HydrophobicContact CZ-CD2 4.31Å; F18-Y69 AromaticContact CZ-CG 3.99Å; F18-Y69 HydrophobicContact CZ-CG 3.99Å; F18-L92 HydrophobicContact CE2-CD2 4.41Å; F18-M278 HydrophobicContact CB-SD 4.32Å; F18-M278 HydrophobicContact CD2-SD 4.45Å; F18-I282 HydrophobicContact CE2-CD1 3.69Å; F18-I282 HydrophobicContact CE2-CG1 3.75Å; F18-I282 HydrophobicContact CZ-CD1 3.76Å; F18-I282 HydrophobicContact CZ-CG1 3.84Å
19A98.2Very high96.5Very high12 Ų1246.8 Ų46.810%0.09927%0.265CS..Hα-helixtrans-65.5-41.3178.600000112.5I8 A15 H16 S21 F22 L29 F43 Y47I8-A19 HydrophobicContact CD1-CB 4.45Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 3.18Å; H16-A19 PolarHBondContact O-N 3.37Å; A19-S21 VanDerWaalsContact C-N 3.31Å; A19-S21 PolarHBondContact O-N 2.71Å; A19-F22 PolarHBondContact O-N 3.19Å; A19-L29 HydrophobicContact CB-CD2 3.72Å; A19-F43 HydrophobicContact CB-CE1 4.05Å; A19-F43 HydrophobicContact CB-CZ 3.79Å; A19-Y47 HydrophobicContact CB-CD1 3.74Å; A19-Y47 HydrophobicContact CB-CD2 3.76Å; A19-Y47 HydrophobicContact CB-CE1 4.02Å; A19-Y47 HydrophobicContact CB-CE2 4.03Å; A19-Y47 HydrophobicContact CB-CG 3.61Å
20E97.4Very high96.5Very high151 Ų15146.9 Ų46.971%0.70627%0.266SS*.Hα-helixtrans-64.8-35176.5-173.6173.8-162.600112.6H16 Y47H16-E20 VanDerWaalsContact O-CB 3.29Å; H16-E20 WeakPolarHBondContact O-CB 3.31Å; H16-E20 PolarHBondContact O-N 3.43Å; E20-Y47 HydrophobicContact CB-CE1 4.01Å
21S95.7Very high96.6Very high40 Ų4046.7 Ų46.728%0.2826%0.264SS..Hα-helixtrans-88.3-8.1-178.5-50.30000113.4S17 F18 A19 D23 N279S17-S21 VanDerWaalsContact O-CB 3.28Å; S17-S21 WeakPolarHBondContact O-CB 3.33Å; S17-S21 PolarHBondContact O-N 3.29Å; S17-S21 PolarHBondContact O-OG 3.4Å; F18-S21 PolarHBondContact O-N 3.24Å; A19-S21 VanDerWaalsContact C-N 3.31Å; A19-S21 PolarHBondContact O-N 2.71Å; S21-D23 PolarHBondContact O-N 3.37Å; S21-N279 PolarHBondContact O-ND2 2.96Å; S21-N279 PolarHBondContact O-OD1 3.15Å
22F97.5Very high96.7Very high36 Ų3646.4 Ų46.416%0.15826%0.263CS..  trans-68.2101-171.1-161.6-78.5000111.1W6 F18 A19 Q24 L29 I282W6-F22 HydrophobicContact CB-CE2 4.46Å; W6-F22 HydrophobicContact CB-CZ 4.49Å; W6-F22 AromaticContact CD1-CZ 3.76Å; W6-F22 HydrophobicContact CD2-CE2 4.08Å; W6-F22 HydrophobicContact CD2-CZ 4.32Å; W6-F22 HydrophobicContact CG-CE2 4.04Å; W6-F22 AromaticContact CG-CZ 3.97Å; W6-F22 HydrophobicContact CG-CZ 3.97Å; W6-F22 AromaticContact NE1-CZ 3.99Å; F18-F22 HydrophobicContact CD1-CD2 4.23Å; F18-F22 AromaticContact CE1-CD2 3.54Å; F18-F22 HydrophobicContact CE1-CD2 3.54Å; F18-F22 AromaticContact CE1-CE2 3.83Å; F18-F22 HydrophobicContact CE1-CE2 3.83Å; F18-F22 AromaticContact CZ-CD2 3.79Å; F18-F22 HydrophobicContact CZ-CD2 3.79Å; F18-F22 AromaticContact CZ-CE2 3.86Å; F18-F22 HydrophobicContact CZ-CE2 3.86Å; F18-F22 WeakPolarHBondContact O-CB 3.34Å; F18-F22 PolarHBondContact O-N 2.66Å; A19-F22 PolarHBondContact O-N 3.19Å; F22-Q24 HydrophobicContact CD1-CB 4.4Å; F22-Q24 HydrophobicContact CD1-CG 4.28Å; F22-Q24 HydrophobicContact CE1-CB 3.88Å; F22-Q24 HydrophobicContact CE1-CG 3.94Å; F22-Q24 HydrophobicContact CZ-CB 4.46Å; F22-Q24 HydrophobicContact CZ-CG 4.22Å; F22-L29 HydrophobicContact CB-CD2 4.26Å; F22-L29 HydrophobicContact CD1-CB 4.03Å; F22-L29 HydrophobicContact CD2-CB 4.24Å; F22-L29 HydrophobicContact CD2-CD1 4.21Å; F22-L29 HydrophobicContact CD2-CD2 4.29Å; F22-L29 HydrophobicContact CD2-CG 4.49Å; F22-L29 HydrophobicContact CE1-CB 4.14Å; F22-L29 HydrophobicContact CE2-CB 4.34Å; F22-L29 HydrophobicContact CE2-CD1 4.16Å; F22-L29 HydrophobicContact CG-CB 4.08Å; F22-L29 HydrophobicContact CG-CD2 4.28Å; F22-L29 HydrophobicContact CZ-CB 4.29Å; F22-I282 HydrophobicContact CD2-CD1 3.53Å; F22-I282 HydrophobicContact CE2-CD1 3.69Å; F22-I282 HydrophobicContact CE2-CG1 4.29Å; F22-I282 HydrophobicContact CE2-CG2 4.32Å; F22-I282 HydrophobicContact CG-CD1 4.29Å; F22-I282 HydrophobicContact CZ-CG2 4.37Å
23D95.6Very high96.9Very high127 Ų12744.9 Ų44.968%0.67925%0.247SC*.  trans-131.293.5-179.3-177.518.8000109.7S21 N279S21-D23 PolarHBondContact O-N 3.37Å; D23-N279 PolarHBondContact N-OD1 3.36Å; D23-N279 PolarHBondContact O-OD1 2.99Å
24Q94.1Very high96.9Very high37 Ų3738.6 Ų38.617%0.17321%0.214CC..  trans-140.1138.4-171.1-63.4-67.8-37.800111.5F22 N279 I282F22-Q24 HydrophobicContact CD1-CB 4.4Å; F22-Q24 HydrophobicContact CD1-CG 4.28Å; F22-Q24 HydrophobicContact CE1-CB 3.88Å; F22-Q24 HydrophobicContact CE1-CG 3.94Å; F22-Q24 HydrophobicContact CZ-CB 4.46Å; F22-Q24 HydrophobicContact CZ-CG 4.22Å; Q24-N279 PolarHBondContact NE2-O 3.18Å; Q24-N279 VanDerWaalsContact NE2-O 3.15Å; Q24-N279 PolarHBondContact NE2-OD1 2.9Å; Q24-I282 HydrophobicContact CG-CB 4.28Å; Q24-I282 HydrophobicContact CG-CD1 4.4Å; Q24-I282 HydrophobicContact CG-CG2 3.56Å
25T92.6Very high96.9Very high139 Ų13945.8 Ų45.885%0.85324%0.238SC*.SBendtrans-93-18.5177.657.60000113.4
26T93.7Very high96.7Very high30 Ų3049.5 Ų49.518%0.18426%0.261CS..SBendtrans-107.50.1-176.955.50000113.2M1 N3 L4M1-T26 HydrophobicContact SD-CG2 4.03Å; N3-T26 PolarHBondContact OD1-O 3.33Å; L4-T26 PolarHBondContact N-O 3.31Å
27S97.2Very high96.7Very high5 Ų550.9 Ų50.94%0.03527%0.27CS..EExtended strand (participates in β ladder)trans-139.4155.3-177.5-71.10000111.5N3 L4 W6 V286N3-S27 VanDerWaalsContact OD1-CA 3.23Å; N3-S27 WeakPolarHBondContact OD1-CA 3.44Å; N3-S27 PolarHBondContact OD1-N 3.28Å; L4-S27 CarbonylContact O-C 3.56Å; L4-S27 VanDerWaalsContact O-CA 3.25Å; L4-S27 WeakPolarHBondContact O-CA 3.28Å; W6-S27 VanDerWaalsContact NE1-CB 3.27Å; W6-S27 PolarHBondContact NE1-OG 2.69Å; S27-V286 VanDerWaalsContact OG-CG2 3.25Å; S27-V286 WeakPolarHBondContact OG-CG2 3.3Å
28T97.6Very high96.8Very high49 Ų4954.4 Ų54.430%0.30128%0.281SS..EExtended strand (participates in β ladder)trans-129.6133.1172.6-60.70000109.3N3 L4 W6 T30N3-T28 PolarHBondContact ND2-OG1 2.83Å; N3-T28 PolarHBondContact OD1-N 3.09Å; N3-T28 PolarHBondContact OD1-OG1 3.11Å; L4-T28 PolarHBondContact O-N 2.84Å; W6-T28 PolarHBondContact N-O 2.93Å; T28-T30 PolarHBondContact O-N 3.19Å; T28-T30 PolarHBondContact O-OG1 3.47Å; T28-T30 VanDerWaalsContact O-OG1 3.08Å
29L98.2Very high96.7Very high17 Ų1758.9 Ų58.99%0.08930%0.3CS..EExtended strand (participates in β ladder)trans-78.5105.8168.1-164.659.1000108.1W6 I8 F18 A19 F22 L49W6-L29 HydrophobicContact CB-CD1 3.77Å; I8-L29 HydrophobicContact CD1-CD1 3.9Å; I8-L29 HydrophobicContact CD1-CD2 3.99Å; I8-L29 HydrophobicContact CD1-CG 4.35Å; I8-L29 HydrophobicContact CG1-CD1 3.8Å; F18-L29 HydrophobicContact CE1-CD1 4.04Å; A19-L29 HydrophobicContact CB-CD2 3.72Å; F22-L29 HydrophobicContact CB-CD2 4.26Å; F22-L29 HydrophobicContact CD1-CB 4.03Å; F22-L29 HydrophobicContact CD2-CB 4.24Å; F22-L29 HydrophobicContact CD2-CD1 4.21Å; F22-L29 HydrophobicContact CD2-CD2 4.29Å; F22-L29 HydrophobicContact CD2-CG 4.49Å; F22-L29 HydrophobicContact CE1-CB 4.14Å; F22-L29 HydrophobicContact CE2-CB 4.34Å; F22-L29 HydrophobicContact CE2-CD1 4.16Å; F22-L29 HydrophobicContact CG-CB 4.08Å; F22-L29 HydrophobicContact CG-CD2 4.28Å; F22-L29 HydrophobicContact CZ-CB 4.29Å; L29-L49 HydrophobicContact CB-CD2 3.9Å; L29-L49 HydrophobicContact CD2-CD2 3.78Å; L29-L49 HydrophobicContact CG-CD1 4.45Å; L29-L49 HydrophobicContact CG-CD2 3.58Å; L29-L49 WeakPolarHBondContact O-CD2 3.26Å
30T98.4Very high96.8Very high7 Ų758.3 Ų58.34%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-107.7-38.6-160.8-520000112.4Q5 W6 T28 P50 K51 I65Q5-T30 HydrophobicContact CB-CG2 4.47Å; Q5-T30 WeakPolarHBondContact CB-OG1 3.49Å; Q5-T30 PolarHBondContact OE1-OG1 2.94Å; W6-T30 PolarHBondContact O-N 3.22Å; T28-T30 PolarHBondContact O-N 3.19Å; T28-T30 PolarHBondContact O-OG1 3.47Å; T28-T30 VanDerWaalsContact O-OG1 3.08Å; T30-P50 VanDerWaalsContact O-CD 3.3Å; T30-P50 WeakPolarHBondContact O-CD 3.49Å; T30-K51 HydrophobicContact CG2-CD 4.43Å; T30-K51 PolarHBondContact O-N 3.27Å; T30-K51 VanDerWaalsContact O-N 3.09Å; T30-I65 HydrophobicContact CG2-CD1 3.98Å
31A98.7Very high96.8Very high0 Ų056 Ų560%028%0.284CS..EExtended strand (participates in β ladder)trans-142.3156-173.500000112.5W6 G7 I8 K51 Y53 L59 I65W6-A31 PolarHBondContact O-N 3.41Å; W6-A31 VanDerWaalsContact O-N 3.1Å; G7-A31 CarbonylContact C-O 3.01Å; G7-A31 VanDerWaalsContact CA-O 3.26Å; G7-A31 WeakPolarHBondContact CA-O 3.47Å; I8-A31 PolarHBondContact N-O 3.23Å; A31-K51 VanDerWaalsContact CA-O 3.29Å; A31-K51 WeakPolarHBondContact CA-O 3.44Å; A31-K51 HydrophobicContact CB-CB 3.82Å; A31-Y53 HydrophobicContact CB-CD2 4.3Å; A31-Y53 HydrophobicContact CB-CE2 3.98Å; A31-L59 HydrophobicContact CB-CD1 3.46Å; A31-L59 VanDerWaalsContact CB-CD1 3.46Å; A31-I65 HydrophobicContact CB-CD1 3.66Å; A31-I65 HydrophobicContact CB-CG1 4.27Å
32C98.8Very high96.9Very high0 Ų059.8 Ų59.80%030%0.296CS..EExtended strand (participates in β ladder)trans-136.7157.7168.272.20000110.2I8 L11 A40 F43 L49 K51 A52 Y53I8-C32 HydrophobicContact CB-CB 4.26Å; L11-C32 HydrophobicContact CD2-CB 3.76Å; C32-A40 PolarHBondContact SG-O 2.94Å; C32-F43 HydrophobicContact CB-CD1 3.94Å; C32-F43 HydrophobicContact CB-CE1 4.32Å; C32-L49 HydrophobicContact CB-CD1 3.77Å; C32-K51 PolarHBondContact N-O 3.17Å; C32-A52 WeakPolarHBondContact O-CA 3.47Å; C32-Y53 PolarHBondContact O-N 2.89Å
33A98.5Very high97Very high0 Ų058.3 Ų58.30%029%0.29CS..EExtended strand (participates in β ladder)trans-137.2147.6176.700000112I8 Y53 Y56 L59I8-A33 PolarHBondContact O-N 2.95Å; A33-Y53 WeakPolarHBondContact CA-O 3.28Å; A33-Y56 HydrophobicContact CB-CD1 3.7Å; A33-Y56 HydrophobicContact CB-CE1 4.3Å; A33-Y56 WeakPolarHBondContact O-CE1 3.4Å; A33-L59 HydrophobicContact CB-CB 3.76Å; A33-L59 HydrophobicContact CB-CD2 3.66Å; A33-L59 HydrophobicContact CB-CG 4.3Å
34S96.4Very high97.1Very high7 Ų752.6 Ų52.65%0.04926%0.26CS..  trans-137.3177.5168.7-153.50000110.1T36 Y53 G54 S55S34-T36 PolarHBondContact O-N 3.37Å; S34-Y53 PolarHBondContact N-O 2.97Å; S34-G54 CarbonylContact O-C 3.55Å; S34-S55 WeakPolarHBondContact O-CA 3.44Å; S34-S55 PolarHBondContact O-N 3.34Å
35R94.1Very high97.3Very high202 Ų20258.3 Ų58.376%0.76229%0.287SS*.SBendtrans-73.6-7.9172.8-63.8176.8-66.6174.90.2113.2G54R35-G54 CarbonylContact C-O 3.32Å; R35-G54 VanDerWaalsContact C-O 3.3Å
36T95.4Very high97.6Very high79 Ų7957.2 Ų57.249%0.48527%0.272SS..SBendtrans-138.8126.3-179.1570000108.3S34 E38 K39 A40S34-T36 PolarHBondContact O-N 3.37Å; T36-E38 VanDerWaalsContact C-N 3.29Å; T36-E38 PolarHBondContact O-N 3.11Å; T36-K39 PolarHBondContact O-N 2.98Å; T36-K39 VanDerWaalsContact O-N 3.15Å; T36-K39 VanDerWaalsContact OG1-CB 3.31Å; T36-K39 WeakPolarHBondContact OG1-CB 3.41Å; T36-A40 PolarHBondContact O-N 2.81Å
37L97.8Very high97.8Very high81 Ų8157.9 Ų57.942%0.42427%0.272SS..Hα-helixtrans-55.4-43.6-178.9-177.861.4000112.2K39 A40 E41L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.28Å; L37-A40 CarbonylContact O-C 3.3Å; L37-A40 WeakPolarHBondContact O-CA 3.39Å; L37-A40 WeakPolarHBondContact O-CB 3.45Å; L37-A40 PolarHBondContact O-N 3.1Å; L37-E41 HydrophobicContact CD1-CG 4.01Å; L37-E41 HydrophobicContact CG-CG 4.03Å; L37-E41 WeakPolarHBondContact O-CG 3.2Å; L37-E41 PolarHBondContact O-N 2.83Å
38E98.1Very high97.9Very high122 Ų12264.7 Ų64.757%0.5731%0.308SS*.Hα-helixtrans-53.5-41.4179-173.3-167.9157.400113T36 K42T36-E38 VanDerWaalsContact C-N 3.29Å; T36-E38 PolarHBondContact O-N 3.11Å; E38-K42 HydrophobicContact CG-CD 4.41Å; E38-K42 WeakPolarHBondContact O-CB 3.43Å; E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 3.35Å; E38-K42 VanDerWaalsContact O-N 3.09Å; E38-K42 IonicContact OE1-NZ 2.74Å; E38-K42 PolarHBondContact OE1-NZ 3.45Å
39K97.5Very high97.9Very high95 Ų9563.1 Ų63.141%0.41330%0.297SS..Hα-helixtrans-69.2-38.6178.4-172.6178.2178.1-168.10111.4L11 T36 L37 F43L11-K39 HydrophobicContact CD1-CG 4.41Å; L11-K39 VanDerWaalsContact O-CE 3.24Å; L11-K39 WeakPolarHBondContact O-CE 3.24Å; L11-K39 PolarHBondContact O-NZ 3.36Å; T36-K39 PolarHBondContact O-N 2.98Å; T36-K39 VanDerWaalsContact O-N 3.15Å; T36-K39 VanDerWaalsContact OG1-CB 3.31Å; T36-K39 WeakPolarHBondContact OG1-CB 3.41Å; L37-K39 VanDerWaalsContact C-N 3.27Å; L37-K39 PolarHBondContact O-N 3.28Å; K39-F43 PolarHBondContact O-N 3.3Å
40A98.6Very high97.9Very high0 Ų066.9 Ų66.90%032%0.323CS..Hα-helixtrans-68.4-43.7177.400000111.3L11 C32 T36 L37 K42 F43 A44 A52 Y53L11-A40 HydrophobicContact CD1-CB 4.26Å; C32-A40 PolarHBondContact SG-O 2.94Å; T36-A40 PolarHBondContact O-N 2.81Å; L37-A40 CarbonylContact O-C 3.3Å; L37-A40 WeakPolarHBondContact O-CA 3.39Å; L37-A40 WeakPolarHBondContact O-CB 3.45Å; L37-A40 PolarHBondContact O-N 3.1Å; A40-K42 PolarHBondContact O-N 3.43Å; A40-F43 PolarHBondContact O-N 2.7Å; A40-A44 WeakPolarHBondContact O-CB 3.24Å; A40-A44 PolarHBondContact O-N 3.33Å; A40-A52 HydrophobicContact CB-CB 3.95Å; A40-Y53 WeakPolarHBondContact CB-O 3.49Å
41E98.6Very high97.9Very high102 Ų10269 Ų6948%0.47733%0.331SS..Hα-helixtrans-60.7-45.3177-71.5174.2149.200111.8L37 F43 A44 E45 A52L37-E41 HydrophobicContact CD1-CG 4.01Å; L37-E41 HydrophobicContact CG-CG 4.03Å; L37-E41 WeakPolarHBondContact O-CG 3.2Å; L37-E41 PolarHBondContact O-N 2.83Å; E41-F43 VanDerWaalsContact C-N 3.33Å; E41-F43 PolarHBondContact O-N 2.68Å; E41-A44 PolarHBondContact O-N 2.96Å; E41-E45 WeakPolarHBondContact O-CB 3.46Å; E41-E45 PolarHBondContact O-N 3.28Å; E41-A52 HydrophobicContact CG-CB 4.08Å
42K98.4Very high97.9Very high120 Ų12070.2 Ų70.252%0.52234%0.342SS..Hα-helixtrans-59.5-42.6175.6-77.1173.1174.1170.60112.8E38 A40 Q46E38-K42 HydrophobicContact CG-CD 4.41Å; E38-K42 WeakPolarHBondContact O-CB 3.43Å; E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 3.35Å; E38-K42 VanDerWaalsContact O-N 3.09Å; E38-K42 IonicContact OE1-NZ 2.74Å; E38-K42 PolarHBondContact OE1-NZ 3.45Å; A40-K42 PolarHBondContact O-N 3.43Å; K42-Q46 WeakPolarHBondContact O-CB 3.48Å; K42-Q46 PolarHBondContact O-N 2.94Å; K42-Q46 VanDerWaalsContact O-N 3.09Å
43F98.6Very high97.9Very high5 Ų572.4 Ų72.42%0.02235%0.35CS..Hα-helixtrans-67.6-43.6177.4-172.6-80.7000111.3I8 L11 A15 H16 A19 C32 K39 A40 E41 Q46 Y47 L49I8-F43 HydrophobicContact CD1-CE1 3.97Å; I8-F43 HydrophobicContact CD1-CZ 4.11Å; L11-F43 HydrophobicContact CB-CD2 3.89Å; L11-F43 HydrophobicContact CB-CE2 4.3Å; L11-F43 HydrophobicContact CB-CG 4.35Å; L11-F43 HydrophobicContact CD1-CB 3.76Å; L11-F43 HydrophobicContact CD1-CD2 4.39Å; L11-F43 HydrophobicContact CD1-CG 4.03Å; L11-F43 HydrophobicContact CD2-CD1 3.98Å; L11-F43 HydrophobicContact CD2-CD2 4.07Å; L11-F43 HydrophobicContact CD2-CE1 4.14Å; L11-F43 HydrophobicContact CD2-CE2 4.21Å; L11-F43 HydrophobicContact CD2-CG 3.94Å; L11-F43 HydrophobicContact CD2-CZ 4.25Å; L11-F43 HydrophobicContact CG-CD2 4.31Å; L11-F43 HydrophobicContact CG-CG 4.31Å; A15-F43 HydrophobicContact CB-CE2 4.15Å; A15-F43 HydrophobicContact CB-CZ 4.15Å; A15-F43 WeakPolarHBondContact O-CZ 3.34Å; H16-F43 AromaticContact CD2-CE2 3.89Å; H16-F43 AromaticContact CE1-CD2 3.68Å; H16-F43 AromaticContact CE1-CE2 3.87Å; H16-F43 AromaticContact CG-CE2 3.88Å; H16-F43 AromaticContact ND1-CE2 3.88Å; H16-F43 AromaticContact NE2-CD2 3.73Å; H16-F43 AromaticContact NE2-CE2 3.88Å; A19-F43 HydrophobicContact CB-CE1 4.05Å; A19-F43 HydrophobicContact CB-CZ 3.79Å; C32-F43 HydrophobicContact CB-CD1 3.94Å; C32-F43 HydrophobicContact CB-CE1 4.32Å; K39-F43 PolarHBondContact O-N 3.3Å; A40-F43 PolarHBondContact O-N 2.7Å; E41-F43 VanDerWaalsContact C-N 3.33Å; E41-F43 PolarHBondContact O-N 2.68Å; F43-Q46 PolarHBondContact O-N 3.14Å; F43-Y47 AromaticContact CD1-CD2 3.88Å; F43-Y47 HydrophobicContact CD1-CD2 3.88Å; F43-Y47 HydrophobicContact CD1-CE2 4.47Å; F43-Y47 HydrophobicContact CD2-CD2 4.18Å; F43-Y47 AromaticContact CD2-CE2 3.97Å; F43-Y47 HydrophobicContact CD2-CE2 3.97Å; F43-Y47 AromaticContact CE1-CD2 3.61Å; F43-Y47 HydrophobicContact CE1-CD2 3.61Å; F43-Y47 HydrophobicContact CE1-CE2 4.12Å; F43-Y47 AromaticContact CE2-CD2 3.95Å; F43-Y47 HydrophobicContact CE2-CD2 3.95Å; F43-Y47 AromaticContact CE2-CE2 3.59Å; F43-Y47 HydrophobicContact CE2-CE2 3.59Å; F43-Y47 HydrophobicContact CG-CD2 4.15Å; F43-Y47 HydrophobicContact CG-CE2 4.4Å; F43-Y47 AromaticContact CZ-CD2 3.66Å; F43-Y47 HydrophobicContact CZ-CD2 3.66Å; F43-Y47 AromaticContact CZ-CE2 3.67Å; F43-Y47 HydrophobicContact CZ-CE2 3.67Å; F43-Y47 WeakPolarHBondContact O-CD2 3.46Å; F43-Y47 PolarHBondContact O-N 3.3Å; F43-L49 HydrophobicContact CD1-CD1 3.91Å; F43-L49 HydrophobicContact CE1-CD1 3.88Å
44A98.7Very high97.8Very high8 Ų873.2 Ų73.27%0.06636%0.359CS..Hα-helixtrans-62.4-42.6177.600000112.1A40 E41 Y47 D48 L49 A52A40-A44 WeakPolarHBondContact O-CB 3.24Å; A40-A44 PolarHBondContact O-N 3.33Å; E41-A44 PolarHBondContact O-N 2.96Å; A44-Y47 CarbonylContact O-C 3.58Å; A44-Y47 PolarHBondContact O-N 2.71Å; A44-D48 CarbonylContact O-C 3.57Å; A44-D48 WeakPolarHBondContact O-CA 3.2Å; A44-D48 PolarHBondContact O-N 3.17Å; A44-L49 HydrophobicContact CB-CB 3.9Å; A44-L49 PolarHBondContact O-N 3.18Å; A44-A52 HydrophobicContact CB-CB 3.88Å
45E98.4Very high97.9Very high157 Ų15774.3 Ų74.373%0.73437%0.366SS*.Hα-helixtrans-61.8-43.3174.5-176.3179.7-166.300111.7E41 Y47E41-E45 WeakPolarHBondContact O-CB 3.46Å; E41-E45 PolarHBondContact O-N 3.28Å; E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 PolarHBondContact O-N 3.2Å
46Q98.4Very high98.1Very high116 Ų11665.7 Ų65.754%0.54233%0.334SS..Hα-helixtrans-63.6-31.8-179.3178.2174.1-23.100113.6H16 K42 F43H16-Q46 PolarHBondContact ND1-NE2 3.47Å; K42-Q46 WeakPolarHBondContact O-CB 3.48Å; K42-Q46 PolarHBondContact O-N 2.94Å; K42-Q46 VanDerWaalsContact O-N 3.09Å; F43-Q46 PolarHBondContact O-N 3.14Å
47Y98.2Very high98.2Very high44 Ų4467.4 Ų67.417%0.17334%0.336CS..THydrogen-bonded Turntrans-11718.1-175.2-63.2-69.6000113.5H16 A19 E20 F43 A44 E45 L49H16-Y47 VanDerWaalsContact CA-OH 3.31Å; H16-Y47 WeakPolarHBondContact CA-OH 3.3Å; H16-Y47 HydrophobicContact CB-CE2 4.44Å; H16-Y47 WeakPolarHBondContact CB-OH 3.44Å; H16-Y47 AromaticContact CE1-CE2 3.89Å; H16-Y47 AromaticContact ND1-CE2 3.26Å; H16-Y47 VanDerWaalsContact ND1-CE2 3.26Å; H16-Y47 WeakPolarHBondContact ND1-CE2 3.08Å; H16-Y47 AromaticContact ND1-CZ 3.44Å; H16-Y47 PolarHBondContact ND1-OH 2.89Å; H16-Y47 PolarHBondContact O-OH 3.39Å; A19-Y47 HydrophobicContact CB-CD1 3.74Å; A19-Y47 HydrophobicContact CB-CD2 3.76Å; A19-Y47 HydrophobicContact CB-CE1 4.02Å; A19-Y47 HydrophobicContact CB-CE2 4.03Å; A19-Y47 HydrophobicContact CB-CG 3.61Å; E20-Y47 HydrophobicContact CB-CE1 4.01Å; F43-Y47 AromaticContact CD1-CD2 3.88Å; F43-Y47 HydrophobicContact CD1-CD2 3.88Å; F43-Y47 HydrophobicContact CD1-CE2 4.47Å; F43-Y47 HydrophobicContact CD2-CD2 4.18Å; F43-Y47 AromaticContact CD2-CE2 3.97Å; F43-Y47 HydrophobicContact CD2-CE2 3.97Å; F43-Y47 AromaticContact CE1-CD2 3.61Å; F43-Y47 HydrophobicContact CE1-CD2 3.61Å; F43-Y47 HydrophobicContact CE1-CE2 4.12Å; F43-Y47 AromaticContact CE2-CD2 3.95Å; F43-Y47 HydrophobicContact CE2-CD2 3.95Å; F43-Y47 AromaticContact CE2-CE2 3.59Å; F43-Y47 HydrophobicContact CE2-CE2 3.59Å; F43-Y47 HydrophobicContact CG-CD2 4.15Å; F43-Y47 HydrophobicContact CG-CE2 4.4Å; F43-Y47 AromaticContact CZ-CD2 3.66Å; F43-Y47 HydrophobicContact CZ-CD2 3.66Å; F43-Y47 AromaticContact CZ-CE2 3.67Å; F43-Y47 HydrophobicContact CZ-CE2 3.67Å; F43-Y47 WeakPolarHBondContact O-CD2 3.46Å; F43-Y47 PolarHBondContact O-N 3.3Å; A44-Y47 CarbonylContact O-C 3.58Å; A44-Y47 PolarHBondContact O-N 2.71Å; E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 PolarHBondContact O-N 3.2Å; Y47-L49 WeakPolarHBondContact O-CD2 3.47Å; Y47-L49 PolarHBondContact O-N 3.27Å
48D97.7Very high98.2Very high148 Ų14868.1 Ų68.179%0.79134%0.338SS*.THydrogen-bonded Turntrans52.337.5178.8-62-57.2000114.2A44A44-D48 CarbonylContact O-C 3.57Å; A44-D48 WeakPolarHBondContact O-CA 3.2Å; A44-D48 PolarHBondContact O-N 3.17Å
49L98.2Very high98.2Very high16 Ų1662.3 Ų62.38%0.08431%0.311CS..  trans-79.2129.7179-51-174000110.9L29 C32 F43 A44 Y47 K51L29-L49 HydrophobicContact CB-CD2 3.9Å; L29-L49 HydrophobicContact CD2-CD2 3.78Å; L29-L49 HydrophobicContact CG-CD1 4.45Å; L29-L49 HydrophobicContact CG-CD2 3.58Å; L29-L49 WeakPolarHBondContact O-CD2 3.26Å; C32-L49 HydrophobicContact CB-CD1 3.77Å; F43-L49 HydrophobicContact CD1-CD1 3.91Å; F43-L49 HydrophobicContact CE1-CD1 3.88Å; A44-L49 HydrophobicContact CB-CB 3.9Å; A44-L49 PolarHBondContact O-N 3.18Å; Y47-L49 WeakPolarHBondContact O-CD2 3.47Å; Y47-L49 PolarHBondContact O-N 3.27Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.41Å; L49-K51 VanDerWaalsContact O-N 3.17Å
50P97.8Very high98.3Very high95 Ų9558.6 Ų58.662%0.61730%0.295SS*.SBendtrans-60.6-25.6-179.1-27.733.5000116.1T30T30-P50 VanDerWaalsContact O-CD 3.3Å; T30-P50 WeakPolarHBondContact O-CD 3.49Å
51K98.5Very high98.3Very high51 Ų5162.2 Ų62.222%0.22233%0.325CS..EExtended strand (participates in β ladder)trans-136.8142-171.6-63.1175.3177.4177.70112.1T30 A31 C32 L49 Y53 D62 D64T30-K51 HydrophobicContact CG2-CD 4.43Å; T30-K51 PolarHBondContact O-N 3.27Å; T30-K51 VanDerWaalsContact O-N 3.09Å; A31-K51 VanDerWaalsContact CA-O 3.29Å; A31-K51 WeakPolarHBondContact CA-O 3.44Å; A31-K51 HydrophobicContact CB-CB 3.82Å; C32-K51 PolarHBondContact N-O 3.17Å; L49-K51 VanDerWaalsContact C-N 3.25Å; L49-K51 PolarHBondContact O-N 3.41Å; L49-K51 VanDerWaalsContact O-N 3.17Å; K51-Y53 HydrophobicContact CB-CE2 4.1Å; K51-Y53 HydrophobicContact CD-CE2 4.48Å; K51-D62 VanDerWaalsContact CD-OD2 3.26Å; K51-D62 WeakPolarHBondContact CD-OD2 3.37Å; K51-D62 IonicContact NZ-OD1 2.7Å; K51-D62 PolarHBondContact NZ-OD1 2.92Å; K51-D62 IonicContact NZ-OD2 2.71Å; K51-D62 PolarHBondContact NZ-OD2 2.85Å; K51-D64 IonicContact NZ-OD2 2.66Å; K51-D64 PolarHBondContact NZ-OD2 3.32Å
52A98.7Very high98.3Very high27 Ų2758.2 Ų58.222%0.22331%0.307CS..EExtended strand (participates in β ladder)trans-134.9136.817400000109.8C32 A40 E41 A44C32-A52 WeakPolarHBondContact O-CA 3.47Å; A40-A52 HydrophobicContact CB-CB 3.95Å; E41-A52 HydrophobicContact CG-CB 4.08Å; A44-A52 HydrophobicContact CB-CB 3.88Å
53Y98.6Very high98.2Very high45 Ų4561.5 Ų61.518%0.17632%0.321CS..EExtended strand (participates in β ladder)trans-123.1140.2-178.4-65-70.7000112.4A31 C32 A33 S34 A40 K51 S55 E58 L59 D62A31-Y53 HydrophobicContact CB-CD2 4.3Å; A31-Y53 HydrophobicContact CB-CE2 3.98Å; C32-Y53 PolarHBondContact O-N 2.89Å; A33-Y53 WeakPolarHBondContact CA-O 3.28Å; S34-Y53 PolarHBondContact N-O 2.97Å; A40-Y53 WeakPolarHBondContact CB-O 3.49Å; K51-Y53 HydrophobicContact CB-CE2 4.1Å; K51-Y53 HydrophobicContact CD-CE2 4.48Å; Y53-S55 VanDerWaalsContact C-N 3.28Å; Y53-E58 HydrophobicContact CD1-CB 3.55Å; Y53-E58 HydrophobicContact CE1-CB 4.27Å; Y53-E58 HydrophobicContact CG-CB 3.96Å; Y53-L59 HydrophobicContact CD2-CB 3.75Å; Y53-L59 HydrophobicContact CD2-CD1 3.8Å; Y53-L59 HydrophobicContact CD2-CG 4.4Å; Y53-L59 HydrophobicContact CE2-CB 4.43Å; Y53-L59 HydrophobicContact CE2-CD1 3.97Å; Y53-L59 HydrophobicContact CG-CB 4.26Å; Y53-D62 HydrophobicContact CE2-CB 4.33Å; Y53-D62 PolarHBondContact OH-OD2 2.91Å
54G97.8Very high98.1Very high18 Ų1865.8 Ų65.819%0.18634%0.344CS..SBendtrans-84.1-2.9-179.900000114.3S34 R35 E58S34-G54 CarbonylContact O-C 3.55Å; R35-G54 CarbonylContact C-O 3.32Å; R35-G54 VanDerWaalsContact C-O 3.3Å; G54-E58 PolarHBondContact N-OE2 3.01Å
55S97.6Very high98.1Very high29 Ų2965.5 Ų65.520%0.20334%0.342CS..SBendtrans-145.6157.6174.166.50000110.4S34 Y53 E57 E58S34-S55 WeakPolarHBondContact O-CA 3.44Å; S34-S55 PolarHBondContact O-N 3.34Å; Y53-S55 VanDerWaalsContact C-N 3.28Å; S55-E57 VanDerWaalsContact C-N 3.31Å; S55-E57 WeakPolarHBondContact CB-OE2 3.33Å; S55-E58 PolarHBondContact N-OE2 2.72Å; S55-E58 VanDerWaalsContact N-OE2 3.08Å; S55-E58 WeakPolarHBondContact OG-CB 3.28Å; S55-E58 VanDerWaalsContact OG-CD 3.28Å; S55-E58 WeakPolarHBondContact OG-CG 3.37Å; S55-E58 PolarHBondContact OG-N 2.95Å; S55-E58 PolarHBondContact OG-OE2 3.14Å
56Y97.7Very high98.1Very high22 Ų2259.9 Ų59.99%0.08632%0.319CS..Hα-helixtrans-72.8-32175.2-58.2-29.6000110.9V9 A33 E58 L59 L60 H80V9-Y56 HydrophobicContact CG1-CD1 3.94Å; V9-Y56 HydrophobicContact CG1-CD2 3.98Å; V9-Y56 HydrophobicContact CG1-CE1 3.87Å; V9-Y56 HydrophobicContact CG1-CE2 3.9Å; V9-Y56 HydrophobicContact CG1-CG 3.99Å; V9-Y56 HydrophobicContact CG2-CD1 4.39Å; A33-Y56 HydrophobicContact CB-CD1 3.7Å; A33-Y56 HydrophobicContact CB-CE1 4.3Å; A33-Y56 WeakPolarHBondContact O-CE1 3.4Å; Y56-E58 VanDerWaalsContact C-N 3.33Å; Y56-E58 PolarHBondContact O-N 2.67Å; Y56-L59 PolarHBondContact O-N 3.4Å; Y56-L60 VanDerWaalsContact O-CG 3.28Å; Y56-L60 WeakPolarHBondContact O-CG 3.4Å; Y56-L60 PolarHBondContact O-N 3.37Å; Y56-H80 AromaticContact CD2-CE1 3.24Å; Y56-H80 WeakPolarHBondContact CD2-CE1 3.23Å; Y56-H80 AromaticContact CD2-ND1 3.67Å; Y56-H80 AromaticContact CD2-NE2 3.92Å; Y56-H80 AromaticContact CE2-CE1 3.39Å; Y56-H80 WeakPolarHBondContact CE2-CE1 3.29Å; Y56-H80 AromaticContact CE2-NE2 3.58Å
57E97.7Very high98.1Very high114 Ų11454.3 Ų54.353%0.53329%0.293SS..Hα-helixtrans-59.4-41.6177.6-66.272.8-163.600112S55 L60 A61S55-E57 VanDerWaalsContact C-N 3.31Å; S55-E57 WeakPolarHBondContact CB-OE2 3.33Å; E57-L60 PolarHBondContact O-N 2.95Å; E57-A61 WeakPolarHBondContact O-CB 3.37Å; E57-A61 PolarHBondContact O-N 3.5Å
58E98.2Very high98.1Very high97 Ų9752.2 Ų52.245%0.45329%0.285SS..Hα-helixtrans-63.4-43.3175.8-75.1167.8119.800112.2Y53 G54 S55 Y56 A61 D62Y53-E58 HydrophobicContact CD1-CB 3.55Å; Y53-E58 HydrophobicContact CE1-CB 4.27Å; Y53-E58 HydrophobicContact CG-CB 3.96Å; G54-E58 PolarHBondContact N-OE2 3.01Å; S55-E58 PolarHBondContact N-OE2 2.72Å; S55-E58 VanDerWaalsContact N-OE2 3.08Å; S55-E58 WeakPolarHBondContact OG-CB 3.28Å; S55-E58 VanDerWaalsContact OG-CD 3.28Å; S55-E58 WeakPolarHBondContact OG-CG 3.37Å; S55-E58 PolarHBondContact OG-N 2.95Å; S55-E58 PolarHBondContact OG-OE2 3.14Å; Y56-E58 VanDerWaalsContact C-N 3.33Å; Y56-E58 PolarHBondContact O-N 2.67Å; E58-A61 PolarHBondContact O-N 3.36Å; E58-D62 PolarHBondContact O-N 3.06Å
59L98.7Very high98.2Very high0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-62.7-44.8175.8173.266000111.6I8 V9 A31 A33 Y53 Y56 A61 D62 I65 I68I8-L59 WeakPolarHBondContact O-CD2 3.43Å; V9-L59 HydrophobicContact CG2-CD2 3.78Å; A31-L59 HydrophobicContact CB-CD1 3.46Å; A31-L59 VanDerWaalsContact CB-CD1 3.46Å; A33-L59 HydrophobicContact CB-CB 3.76Å; A33-L59 HydrophobicContact CB-CD2 3.66Å; A33-L59 HydrophobicContact CB-CG 4.3Å; Y53-L59 HydrophobicContact CD2-CB 3.75Å; Y53-L59 HydrophobicContact CD2-CD1 3.8Å; Y53-L59 HydrophobicContact CD2-CG 4.4Å; Y53-L59 HydrophobicContact CE2-CB 4.43Å; Y53-L59 HydrophobicContact CE2-CD1 3.97Å; Y53-L59 HydrophobicContact CG-CB 4.26Å; Y56-L59 PolarHBondContact O-N 3.4Å; L59-A61 PolarHBondContact O-N 3.03Å; L59-D62 WeakPolarHBondContact O-CB 3.25Å; L59-D62 PolarHBondContact O-N 3.05Å; L59-I65 HydrophobicContact CD1-CD1 4.49Å; L59-I65 HydrophobicContact CD1-CG1 3.96Å; L59-I68 HydrophobicContact CD2-CD1 4.06Å; L59-I68 HydrophobicContact CG-CD1 4.04Å
60L98.6Very high98.2Very high17 Ų1744.5 Ų44.59%0.08924%0.244CC..Hα-helixtrans-66.2-28.2179.3-67.1-177.4000112.4Y56 E57 I68 Q83 A84 A87 K89Y56-L60 VanDerWaalsContact O-CG 3.28Å; Y56-L60 WeakPolarHBondContact O-CG 3.4Å; Y56-L60 PolarHBondContact O-N 3.37Å; E57-L60 PolarHBondContact O-N 2.95Å; L60-I68 HydrophobicContact CD2-CD1 3.75Å; L60-I68 HydrophobicContact CD2-CG1 3.65Å; L60-Q83 HydrophobicContact CD1-CB 3.7Å; L60-A84 HydrophobicContact CD2-CB 3.79Å; L60-A87 HydrophobicContact CB-CB 3.89Å; L60-K89 HydrophobicContact CD2-CG 4.33Å; L60-K89 WeakPolarHBondContact O-CE 3.36Å
61A98.5Very high98.2Very high75 Ų7540.3 Ų40.362%0.6222%0.217SC*.Hα-helixtrans-78.4-16.3175.400000114E57 E58 L59 K63E57-A61 WeakPolarHBondContact O-CB 3.37Å; E57-A61 PolarHBondContact O-N 3.5Å; E58-A61 PolarHBondContact O-N 3.36Å; L59-A61 PolarHBondContact O-N 3.03Å; A61-K63 PolarHBondContact O-N 3.28Å
62D98.4Very high98Very high18 Ų1838.5 Ų38.510%0.09621%0.211CC..  trans-67.1117.7179.2-174.2-4000110.6K51 Y53 E58 L59 D64 I65 K89K51-D62 VanDerWaalsContact CD-OD2 3.26Å; K51-D62 WeakPolarHBondContact CD-OD2 3.37Å; K51-D62 IonicContact NZ-OD1 2.7Å; K51-D62 PolarHBondContact NZ-OD1 2.92Å; K51-D62 IonicContact NZ-OD2 2.71Å; K51-D62 PolarHBondContact NZ-OD2 2.85Å; Y53-D62 HydrophobicContact CE2-CB 4.33Å; Y53-D62 PolarHBondContact OH-OD2 2.91Å; E58-D62 PolarHBondContact O-N 3.06Å; L59-D62 WeakPolarHBondContact O-CB 3.25Å; L59-D62 PolarHBondContact O-N 3.05Å; D62-D64 VanDerWaalsContact C-N 3.25Å; D62-D64 PolarHBondContact O-N 3.1Å; D62-D64 PolarHBondContact OD1-N 2.99Å; D62-I65 HydrophobicContact CB-CG1 3.95Å; D62-I65 PolarHBondContact O-N 3.23Å; D62-K89 PolarHBondContact O-NZ 2.9Å
63K97.3Very high97.7Very high190 Ų19040 Ų4083%0.82622%0.218SC*.THydrogen-bonded Turntrans-70.9-20.4-177.6-66-178.3-179176.60113.3A61A61-K63 PolarHBondContact O-N 3.28Å
64D97.1Very high97.3Very high95 Ų9539.5 Ų39.551%0.50822%0.218SC..THydrogen-bonded Turntrans-74.7-31.5179.5-63.2-26.4000110.9Q5 K51 D62Q5-D64 WeakPolarHBondContact CB-O 3.26Å; Q5-D64 VanDerWaalsContact CG-O 3.23Å; Q5-D64 WeakPolarHBondContact CG-O 3.33Å; K51-D64 IonicContact NZ-OD2 2.66Å; K51-D64 PolarHBondContact NZ-OD2 3.32Å; D62-D64 VanDerWaalsContact C-N 3.25Å; D62-D64 PolarHBondContact O-N 3.1Å; D62-D64 PolarHBondContact OD1-N 2.99Å
65I98.4Very high96.9Very high2 Ų244.7 Ų44.71%0.0123%0.232CC..  trans-73.3127.8-178.5-55.8-58.8000110.7Q5 T30 A31 L59 D62 I67 I68 K89Q5-I65 HydrophobicContact CB-CD1 4.22Å; T30-I65 HydrophobicContact CG2-CD1 3.98Å; A31-I65 HydrophobicContact CB-CD1 3.66Å; A31-I65 HydrophobicContact CB-CG1 4.27Å; L59-I65 HydrophobicContact CD1-CD1 4.49Å; L59-I65 HydrophobicContact CD1-CG1 3.96Å; D62-I65 HydrophobicContact CB-CG1 3.95Å; D62-I65 PolarHBondContact O-N 3.23Å; I65-I67 WeakPolarHBondContact CG2-O 3.16Å; I65-I68 HydrophobicContact CG2-CD1 3.67Å; I65-K89 VanDerWaalsContact O-CD 3.29Å; I65-K89 WeakPolarHBondContact O-CD 3.44Å; I65-K89 WeakPolarHBondContact O-CE 3.36Å; I65-K89 PolarHBondContact O-NZ 3.02Å
66S98Very high96.8Very high38 Ų3846.7 Ų46.727%0.26624%0.238SC..  trans-105.8-33178.8-51.70000112.4Q5 H90Q5-S66 PolarHBondContact O-N 3.18Å; S66-H90 PolarHBondContact O-CD2 3.47Å; S66-H90 PolarHBondContact O-N 2.9Å
67I98.7Very high96.7Very high0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-127.3136.5-173.2-52.1169.8000109.6L4 Q5 W6 G7 I65 H90 M285 I289L4-I67 HydrophobicContact CB-CD1 4Å; L4-I67 HydrophobicContact CD1-CD1 4.12Å; L4-I67 HydrophobicContact CG-CD1 4.47Å; Q5-I67 PolarHBondContact O-N 3.23Å; W6-I67 WeakPolarHBondContact CA-O 3.37Å; W6-I67 HydrophobicContact CD2-CB 3.93Å; W6-I67 HydrophobicContact CD2-CD1 4.16Å; W6-I67 HydrophobicContact CD2-CG2 3.94Å; W6-I67 VanDerWaalsContact CE2-CD1 3.44Å; W6-I67 HydrophobicContact CE3-CB 4.1Å; W6-I67 HydrophobicContact CE3-CG2 3.63Å; W6-I67 HydrophobicContact CG-CB 4.33Å; W6-I67 HydrophobicContact CH2-CD1 4.26Å; W6-I67 HydrophobicContact CH2-CG2 3.78Å; W6-I67 HydrophobicContact CZ2-CB 4.44Å; W6-I67 HydrophobicContact CZ2-CD1 3.48Å; W6-I67 VanDerWaalsContact CZ2-CD1 3.48Å; W6-I67 HydrophobicContact CZ2-CG2 4.04Å; W6-I67 HydrophobicContact CZ3-CB 4.45Å; W6-I67 HydrophobicContact CZ3-CG2 3.56Å; G7-I67 PolarHBondContact N-O 3.32Å; I65-I67 WeakPolarHBondContact CG2-O 3.16Å; I67-H90 CarbonylContact C-O 3.52Å; I67-H90 WeakPolarHBondContact CA-O 3.43Å; I67-H90 HydrophobicContact CG1-CB 4.16Å; I67-M285 HydrophobicContact CD1-CG 4.41Å; I67-M285 HydrophobicContact CG2-CE 4.12Å; I67-M285 HydrophobicContact CG2-CG 4.43Å; I67-I289 HydrophobicContact CD1-CD1 3.36Å; I67-I289 HydrophobicContact CG1-CD1 3.64Å
68I98.8Very high96.8Very high0 Ų042.5 Ų42.50%022%0.219CC..EExtended strand (participates in β ladder)trans-109.6121.8172.8-58.3-64.9000109.5G7 V9 L59 L60 I65 I70 A84 K89 H90 V91 L92G7-I68 CarbonylContact O-C 3.57Å; G7-I68 WeakPolarHBondContact O-CA 3.24Å; V9-I68 HydrophobicContact CB-CG2 4.2Å; V9-I68 HydrophobicContact CG2-CG2 3.6Å; L59-I68 HydrophobicContact CD2-CD1 4.06Å; L59-I68 HydrophobicContact CG-CD1 4.04Å; L60-I68 HydrophobicContact CD2-CD1 3.75Å; L60-I68 HydrophobicContact CD2-CG1 3.65Å; I65-I68 HydrophobicContact CG2-CD1 3.67Å; I68-I70 HydrophobicContact CG2-CG1 3.82Å; I68-A84 HydrophobicContact CB-CB 4.09Å; I68-A84 HydrophobicContact CG1-CB 4.02Å; I68-A84 HydrophobicContact CG2-CB 4.31Å; I68-K89 HydrophobicContact CD1-CG 4.45Å; I68-K89 HydrophobicContact CG1-CB 3.72Å; I68-K89 HydrophobicContact CG1-CG 3.89Å; I68-H90 PolarHBondContact N-O 3Å; I68-V91 WeakPolarHBondContact O-CA 3.41Å; I68-L92 PolarHBondContact O-N 2.82Å
69Y98.8Very high96.8Very high1 Ų143 Ų430%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-89.7119.1165.7175.6-119000109.6G7 I8 V9 F18 A71 L92 E94 A121G7-Y69 PolarHBondContact O-N 3.2Å; I8-Y69 HydrophobicContact CG1-CD1 4.22Å; I8-Y69 HydrophobicContact CG2-CD1 4.11Å; V9-Y69 PolarHBondContact N-O 3.42Å; F18-Y69 HydrophobicContact CB-CD1 4.28Å; F18-Y69 HydrophobicContact CB-CE1 3.56Å; F18-Y69 AromaticContact CD1-CD1 3.6Å; F18-Y69 HydrophobicContact CD1-CD1 3.6Å; F18-Y69 AromaticContact CD1-CE1 3.79Å; F18-Y69 HydrophobicContact CD1-CE1 3.79Å; F18-Y69 HydrophobicContact CD1-CG 4.23Å; F18-Y69 HydrophobicContact CD2-CD1 4.09Å; F18-Y69 HydrophobicContact CD2-CD2 4.31Å; F18-Y69 AromaticContact CD2-CE1 3.76Å; F18-Y69 HydrophobicContact CD2-CE1 3.76Å; F18-Y69 HydrophobicContact CD2-CE2 4.01Å; F18-Y69 HydrophobicContact CD2-CG 4.35Å; F18-Y69 AromaticContact CD2-CZ 3.71Å; F18-Y69 AromaticContact CE1-CD1 3.85Å; F18-Y69 HydrophobicContact CE1-CD1 3.85Å; F18-Y69 HydrophobicContact CE1-CE1 4.4Å; F18-Y69 HydrophobicContact CE1-CG 4.02Å; F18-Y69 HydrophobicContact CE2-CD1 4.31Å; F18-Y69 HydrophobicContact CE2-CD2 4.08Å; F18-Y69 HydrophobicContact CE2-CE1 4.38Å; F18-Y69 HydrophobicContact CE2-CE2 4.16Å; F18-Y69 HydrophobicContact CE2-CG 4.16Å; F18-Y69 AromaticContact CG-CD1 3.72Å; F18-Y69 HydrophobicContact CG-CD1 3.72Å; F18-Y69 AromaticContact CG-CE1 3.42Å; F18-Y69 HydrophobicContact CG-CE1 3.42Å; F18-Y69 VanDerWaalsContact CG-CE1 3.42Å; F18-Y69 HydrophobicContact CG-CG 4.38Å; F18-Y69 AromaticContact CG-CZ 3.86Å; F18-Y69 HydrophobicContact CZ-CD1 4.2Å; F18-Y69 HydrophobicContact CZ-CD2 4.31Å; F18-Y69 AromaticContact CZ-CG 3.99Å; F18-Y69 HydrophobicContact CZ-CG 3.99Å; Y69-A71 HydrophobicContact CD1-CB 4.11Å; Y69-A71 HydrophobicContact CE1-CB 3.59Å; Y69-L92 CarbonylContact C-O 3.49Å; Y69-L92 VanDerWaalsContact CA-O 3.24Å; Y69-L92 WeakPolarHBondContact CA-O 3.23Å; Y69-L92 HydrophobicContact CD2-CB 4.41Å; Y69-L92 HydrophobicContact CD2-CD2 4.13Å; Y69-L92 HydrophobicContact CD2-CG 4.16Å; Y69-L92 WeakPolarHBondContact CD2-O 3.39Å; Y69-E94 HydrophobicContact CE2-CG 4Å; Y69-E94 VanDerWaalsContact OH-CG 3.29Å; Y69-E94 WeakPolarHBondContact OH-CG 3.41Å; Y69-E94 PolarHBondContact OH-OE1 3.26Å; Y69-A121 HydrophobicContact CE2-CB 4.46Å
70I98.7Very high96.7Very high0 Ų043.5 Ų43.50%022%0.224CC..EExtended strand (participates in β ladder)trans-101.3112.9-177.2-60.4176.5000109.2I68 V72 H80 I81 V91 L92 C93 E94I68-I70 HydrophobicContact CG2-CG1 3.82Å; I70-V72 HydrophobicContact CG2-CG2 3.81Å; I70-H80 VanDerWaalsContact CD1-C 3.48Å; I70-H80 HydrophobicContact CD1-CB 3.96Å; I70-H80 HydrophobicContact CG1-CB 4.46Å; I70-H80 HydrophobicContact CG2-CB 4.17Å; I70-I81 HydrophobicContact CD1-CB 4.19Å; I70-I81 HydrophobicContact CD1-CG1 3.61Å; I70-I81 VanDerWaalsContact CD1-N 3.34Å; I70-V91 HydrophobicContact CD1-CG1 3.55Å; I70-V91 HydrophobicContact CG1-CG1 4.17Å; I70-L92 PolarHBondContact N-O 3.09Å; I70-C93 HydrophobicContact CB-CB 4.17Å; I70-E94 WeakPolarHBondContact O-CB 3.39Å; I70-E94 PolarHBondContact O-N 3.22Å
71A97.5Very high96.7Very high7 Ų742.7 Ų42.76%0.05822%0.22CC..  trans-127.639-174.100000112.2V9 I14 A15 Y69V9-A71 PolarHBondContact O-N 3.49Å; I14-A71 HydrophobicContact CG2-CB 3.83Å; A15-A71 HydrophobicContact CB-CB 3.99Å; Y69-A71 HydrophobicContact CD1-CB 4.11Å; Y69-A71 HydrophobicContact CE1-CB 3.59Å
72V94.7Very high96.8Very high14 Ų1440.9 Ų40.99%0.08520%0.199CC..SBendtrans-93.9174.2175.1-60.30000110.4V9 I70 Q76 H77V9-V72 HydrophobicContact CG1-CG1 3.93Å; I70-V72 HydrophobicContact CG2-CG2 3.81Å; V72-Q76 HydrophobicContact CB-CB 4.18Å; V72-Q76 HydrophobicContact CG2-CB 3.56Å; V72-H77 PolarHBondContact O-NE2 2.84Å
73P91.4Very high96.8Very high59 Ų5942.4 Ų42.438%0.38321%0.206SC..  trans-61.8147171.7-24.736000112.8R75 Q76P73-R75 VanDerWaalsContact C-N 3.27Å; P73-R75 PolarHBondContact O-N 3.27Å; P73-Q76 WeakPolarHBondContact O-CB 3.4Å; P73-Q76 PolarHBondContact O-N 3.37Å
74N89.7Confident96.8Very high34 Ų3433.4 Ų33.418%0.18217%0.167CC..G310 helixtrans-48.3-40.7-169.5-57.435000114.7Q76 H77 M99N74-Q76 PolarHBondContact O-N 3.01Å; N74-Q76 VanDerWaalsContact O-N 3.11Å; N74-H77 WeakPolarHBondContact O-CB 3.19Å; N74-H77 PolarHBondContact O-N 3.24Å; N74-H77 VanDerWaalsContact O-N 3.12Å; N74-M99 HydrophobicContact CB-SD 4.05Å
75R91.1Very high96.9Very high127 Ų12728.9 Ų28.948%0.47914%0.143SC..G310 helixtrans-61.2-20.2179-68.6-175.6170.4-161.4-8.4114.3P73 M99 P167 D168 A170P73-R75 VanDerWaalsContact C-N 3.27Å; P73-R75 PolarHBondContact O-N 3.27Å; R75-M99 HydrophobicContact CG-CE 4.44Å; R75-M99 HydrophobicContact CG-SD 3.98Å; R75-P167 PolarHBondContact NH2-O 3.14Å; R75-D168 WeakPolarHBondContact CD-O 3.33Å; R75-D168 PolarHBondContact NE-O 2.67Å; R75-D168 PolarHBondContact NH1-O 2.83Å; R75-A170 HydrophobicContact CG-CB 3.78Å
76Q94.2Very high96.9Very high70 Ų7034.5 Ų34.533%0.32717%0.169SC..G310 helixtrans-98.9-8.1-178.2-65.5171.347.800112.2V72 P73 N74 Q79 H80V72-Q76 HydrophobicContact CB-CB 4.18Å; V72-Q76 HydrophobicContact CG2-CB 3.56Å; P73-Q76 WeakPolarHBondContact O-CB 3.4Å; P73-Q76 PolarHBondContact O-N 3.37Å; N74-Q76 PolarHBondContact O-N 3.01Å; N74-Q76 VanDerWaalsContact O-N 3.11Å; Q76-Q79 PolarHBondContact O-N 2.93Å; Q76-H80 PolarHBondContact O-CD2 2.85Å; Q76-H80 PolarHBondContact O-N 3.27Å
77H97.1Very high97Very high1 Ų134.8 Ų34.81%0.00517%0.174CC..Hα-helixtrans-56.6-55.5-178-70.5175.7000111.6V72 N74 Q79 H80 I81 E94 A96 I97V72-H77 PolarHBondContact O-NE2 2.84Å; N74-H77 WeakPolarHBondContact O-CB 3.19Å; N74-H77 PolarHBondContact O-N 3.24Å; N74-H77 VanDerWaalsContact O-N 3.12Å; H77-Q79 VanDerWaalsContact C-N 3.34Å; H77-Q79 PolarHBondContact O-N 3.17Å; H77-H80 PolarHBondContact O-N 2.92Å; H77-H80 VanDerWaalsContact O-N 3.1Å; H77-I81 HydrophobicContact CB-CD1 4.18Å; H77-I81 WeakPolarHBondContact O-CB 3.35Å; H77-I81 WeakPolarHBondContact O-CG1 3.34Å; H77-I81 PolarHBondContact O-N 3.12Å; H77-E94 PolarHBondContact CE1-O 3.08Å; H77-E94 PolarHBondContact ND1-O 2.83Å; H77-A96 PolarHBondContact ND1-O 2.93Å; H77-I97 WeakPolarHBondContact CB-O 3.25Å
78H98.2Very high97Very high47 Ų4736.8 Ų36.822%0.21819%0.194CC..Hα-helixtrans-53.1-49.5-177.5176.4-102.1000112.3H80 I81 M82 T98 E103 S106H78-H80 PolarHBondContact O-N 2.86Å; H78-I81 PolarHBondContact O-N 3.2Å; H78-M82 VanDerWaalsContact O-CG 3.24Å; H78-M82 WeakPolarHBondContact O-CG 3.39Å; H78-M82 PolarHBondContact O-N 2.8Å; H78-T98 HydrophobicContact CB-CG2 4.46Å; H78-E103 HydrophobicContact CB-CB 4.19Å; H78-E103 HydrophobicContact CB-CG 4.12Å; H78-E103 PolarHBondContact CD2-O 2.92Å; H78-S106 PolarHBondContact NE2-OG 3.09Å
79Q97.9Very high97Very high107 Ų10737.5 Ų37.550%0.520%0.197SC..Hα-helixtrans-55.3-49.7178.2-179-175.8-33.700111.9Q76 H77 M82 Q83Q76-Q79 PolarHBondContact O-N 2.93Å; H77-Q79 VanDerWaalsContact C-N 3.34Å; H77-Q79 PolarHBondContact O-N 3.17Å; Q79-M82 PolarHBondContact O-N 3.35Å; Q79-Q83 VanDerWaalsContact O-CG 3.3Å; Q79-Q83 WeakPolarHBondContact O-CG 3.26Å; Q79-Q83 PolarHBondContact O-N 3.1Å; Q79-Q83 VanDerWaalsContact O-N 3.07Å
80H98.4Very high97Very high12 Ų1239.1 Ų39.16%0.05621%0.205CC..Hα-helixtrans-75.7-29.5-176.9-66.6-51.8000113.3V9 Y56 I70 Q76 H77 H78 Q83 A84V9-H80 HydrophobicContact CG1-CB 4.33Å; Y56-H80 AromaticContact CD2-CE1 3.24Å; Y56-H80 WeakPolarHBondContact CD2-CE1 3.23Å; Y56-H80 AromaticContact CD2-ND1 3.67Å; Y56-H80 AromaticContact CD2-NE2 3.92Å; Y56-H80 AromaticContact CE2-CE1 3.39Å; Y56-H80 WeakPolarHBondContact CE2-CE1 3.29Å; Y56-H80 AromaticContact CE2-NE2 3.58Å; I70-H80 VanDerWaalsContact CD1-C 3.48Å; I70-H80 HydrophobicContact CD1-CB 3.96Å; I70-H80 HydrophobicContact CG1-CB 4.46Å; I70-H80 HydrophobicContact CG2-CB 4.17Å; Q76-H80 PolarHBondContact O-CD2 2.85Å; Q76-H80 PolarHBondContact O-N 3.27Å; H77-H80 PolarHBondContact O-N 2.92Å; H77-H80 VanDerWaalsContact O-N 3.1Å; H78-H80 PolarHBondContact O-N 2.86Å; H80-Q83 PolarHBondContact ND1-OE1 2.96Å; H80-A84 VanDerWaalsContact O-CB 3.3Å; H80-A84 WeakPolarHBondContact O-CB 3.29Å; H80-A84 PolarHBondContact O-N 2.83Å
81I98.8Very high97Very high0 Ų039.1 Ų39.10%021%0.205CC..Hα-helixtrans-59.4-51.8170.6-69.2163.1000108.7I70 H77 H78 Q83 A84 L85 V91 C93 I97 T98 A107 L118I70-I81 HydrophobicContact CD1-CB 4.19Å; I70-I81 HydrophobicContact CD1-CG1 3.61Å; I70-I81 VanDerWaalsContact CD1-N 3.34Å; H77-I81 HydrophobicContact CB-CD1 4.18Å; H77-I81 WeakPolarHBondContact O-CB 3.35Å; H77-I81 WeakPolarHBondContact O-CG1 3.34Å; H77-I81 PolarHBondContact O-N 3.12Å; H78-I81 PolarHBondContact O-N 3.2Å; I81-Q83 PolarHBondContact O-N 3.35Å; I81-A84 PolarHBondContact O-N 2.84Å; I81-L85 HydrophobicContact CG2-CD1 3.66Å; I81-L85 HydrophobicContact CG2-CG 4.28Å; I81-L85 WeakPolarHBondContact O-CB 3.3Å; I81-L85 VanDerWaalsContact O-CG 3.28Å; I81-L85 WeakPolarHBondContact O-CG 3.23Å; I81-L85 PolarHBondContact O-N 2.85Å; I81-V91 HydrophobicContact CG1-CG1 4.08Å; I81-V91 HydrophobicContact CG2-CG1 4.48Å; I81-C93 HydrophobicContact CD1-CB 3.98Å; I81-C93 HydrophobicContact CG1-CB 3.99Å; I81-I97 HydrophobicContact CD1-CG1 3.8Å; I81-I97 WeakPolarHBondContact CD1-O 3.16Å; I81-T98 HydrophobicContact CD1-CG2 4.21Å; I81-A107 HydrophobicContact CG2-CB 3.72Å; I81-L118 HydrophobicContact CG1-CD1 4.45Å; I81-L118 HydrophobicContact CG2-CD1 3.67Å; I81-L118 HydrophobicContact CG2-CD2 4.29Å
82M98.8Very high97Very high37 Ų3738.9 Ų38.918%0.18220%0.203CC..Hα-helixtrans-60.2-47-179.1-64.6-58.5-74.300111.4H78 Q79 A84 L85 E86 A107 L110H78-M82 VanDerWaalsContact O-CG 3.24Å; H78-M82 WeakPolarHBondContact O-CG 3.39Å; H78-M82 PolarHBondContact O-N 2.8Å; Q79-M82 PolarHBondContact O-N 3.35Å; M82-A84 PolarHBondContact O-N 2.93Å; M82-L85 PolarHBondContact O-N 3.26Å; M82-E86 WeakPolarHBondContact O-CB 3.35Å; M82-E86 VanDerWaalsContact O-CG 3.31Å; M82-E86 WeakPolarHBondContact O-CG 3.36Å; M82-E86 PolarHBondContact O-N 3.25Å; M82-A107 HydrophobicContact SD-CB 4.06Å; M82-L110 HydrophobicContact CE-CB 4.16Å; M82-L110 HydrophobicContact CE-CD2 3.55Å; M82-L110 HydrophobicContact CE-CG 4.46Å; M82-L110 HydrophobicContact SD-CB 4.42Å; M82-L110 HydrophobicContact SD-CD2 3.87Å
83Q98.6Very high97.2Very high50 Ų5038.2 Ų38.223%0.23420%0.199CC..Hα-helixtrans-59.6-43.6177.4-71.6176.7-37.800112.5L60 Q79 H80 I81 E86 A87L60-Q83 HydrophobicContact CD1-CB 3.7Å; Q79-Q83 VanDerWaalsContact O-CG 3.3Å; Q79-Q83 WeakPolarHBondContact O-CG 3.26Å; Q79-Q83 PolarHBondContact O-N 3.1Å; Q79-Q83 VanDerWaalsContact O-N 3.07Å; H80-Q83 PolarHBondContact ND1-OE1 2.96Å; I81-Q83 PolarHBondContact O-N 3.35Å; Q83-E86 PolarHBondContact O-N 2.84Å; Q83-A87 WeakPolarHBondContact O-CB 3.14Å; Q83-A87 PolarHBondContact O-N 2.81Å; Q83-A87 VanDerWaalsContact O-N 3.09Å
84A98.9Very high97.5Very high1 Ų136.4 Ų36.41%0.00819%0.185CC..Hα-helixtrans-67.2-43.8-179.900000112.5L60 I68 H80 I81 M82 A87 G88 K89 V91L60-A84 HydrophobicContact CD2-CB 3.79Å; I68-A84 HydrophobicContact CB-CB 4.09Å; I68-A84 HydrophobicContact CG1-CB 4.02Å; I68-A84 HydrophobicContact CG2-CB 4.31Å; H80-A84 VanDerWaalsContact O-CB 3.3Å; H80-A84 WeakPolarHBondContact O-CB 3.29Å; H80-A84 PolarHBondContact O-N 2.83Å; I81-A84 PolarHBondContact O-N 2.84Å; M82-A84 PolarHBondContact O-N 2.93Å; A84-A87 PolarHBondContact O-N 3.43Å; A84-G88 PolarHBondContact O-N 3.1Å; A84-K89 HydrophobicContact CB-CB 4.48Å; A84-K89 WeakPolarHBondContact O-CB 3.42Å; A84-K89 PolarHBondContact O-N 2.88Å; A84-V91 HydrophobicContact CB-CG2 3.57Å
85L98.9Very high97.8Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-65.2-39.6175.9-67.2172.5000111.7I81 M82 A87 G88 V91 A107 L110 A111 L116I81-L85 HydrophobicContact CG2-CD1 3.66Å; I81-L85 HydrophobicContact CG2-CG 4.28Å; I81-L85 WeakPolarHBondContact O-CB 3.3Å; I81-L85 VanDerWaalsContact O-CG 3.28Å; I81-L85 WeakPolarHBondContact O-CG 3.23Å; I81-L85 PolarHBondContact O-N 2.85Å; M82-L85 PolarHBondContact O-N 3.26Å; L85-A87 VanDerWaalsContact C-N 3.28Å; L85-A87 PolarHBondContact O-N 3.18Å; L85-G88 PolarHBondContact O-N 2.88Å; L85-V91 HydrophobicContact CD2-CB 4.47Å; L85-V91 HydrophobicContact CD2-CG2 3.86Å; L85-V91 HydrophobicContact CG-CG2 3.95Å; L85-A107 WeakPolarHBondContact CD1-O 3.34Å; L85-L110 HydrophobicContact CB-CD2 3.67Å; L85-L110 HydrophobicContact CB-CG 3.94Å; L85-L110 HydrophobicContact CD1-CB 4.38Å; L85-L110 HydrophobicContact CD1-CD2 4.25Å; L85-L110 HydrophobicContact CD1-CG 4.33Å; L85-A111 HydrophobicContact CD1-CB 3.98Å; L85-A111 HydrophobicContact CD2-CB 3.9Å; L85-L116 HydrophobicContact CB-CD1 4.38Å; L85-L116 HydrophobicContact CD2-CB 3.89Å; L85-L116 HydrophobicContact CD2-CD1 3.92Å; L85-L116 WeakPolarHBondContact O-CD1 3.35Å
86E98.7Very high98Very high120 Ų12030 Ų3056%0.56116%0.159SC*.Hα-helixtrans-59.3-41174.8-80.6179.8-178.300111.9M82 Q83 G88 L110 K114M82-E86 WeakPolarHBondContact O-CB 3.35Å; M82-E86 VanDerWaalsContact O-CG 3.31Å; M82-E86 WeakPolarHBondContact O-CG 3.36Å; M82-E86 PolarHBondContact O-N 3.25Å; Q83-E86 PolarHBondContact O-N 2.84Å; E86-G88 PolarHBondContact O-N 2.96Å; E86-L110 HydrophobicContact CG-CD2 3.93Å; E86-K114 PolarHBondContact O-NZ 3.2Å; E86-K114 VanDerWaalsContact O-NZ 3.14Å
87A98.6Very high98.2Very high44 Ų4426.7 Ų26.736%0.36414%0.143SC..THydrogen-bonded Turntrans-731.1175.800000114.4L60 Q83 A84 L85 K89L60-A87 HydrophobicContact CB-CB 3.89Å; Q83-A87 WeakPolarHBondContact O-CB 3.14Å; Q83-A87 PolarHBondContact O-N 2.81Å; Q83-A87 VanDerWaalsContact O-N 3.09Å; A84-A87 PolarHBondContact O-N 3.43Å; L85-A87 VanDerWaalsContact C-N 3.28Å; L85-A87 PolarHBondContact O-N 3.18Å; A87-K89 HydrophobicContact CB-CG 4.31Å
88G98.5Very high98.2Very high42 Ų4226.7 Ų26.743%0.43314%0.144SC..THydrogen-bonded Turntrans81.425.2176.400000114.1A84 L85 E86A84-G88 PolarHBondContact O-N 3.1Å; L85-G88 PolarHBondContact O-N 2.88Å; E86-G88 PolarHBondContact O-N 2.96Å
89K98.8Very high98Very high15 Ų1526.3 Ų26.37%0.06514%0.143CC..  trans-104.4140.3-178.6-48.4-57.5-175.2-175.10111.3L60 D62 I65 I68 A84 A87 L116L60-K89 HydrophobicContact CD2-CG 4.33Å; L60-K89 WeakPolarHBondContact O-CE 3.36Å; D62-K89 PolarHBondContact O-NZ 2.9Å; I65-K89 VanDerWaalsContact O-CD 3.29Å; I65-K89 WeakPolarHBondContact O-CD 3.44Å; I65-K89 WeakPolarHBondContact O-CE 3.36Å; I65-K89 PolarHBondContact O-NZ 3.02Å; I68-K89 HydrophobicContact CD1-CG 4.45Å; I68-K89 HydrophobicContact CG1-CB 3.72Å; I68-K89 HydrophobicContact CG1-CG 3.89Å; A84-K89 HydrophobicContact CB-CB 4.48Å; A84-K89 WeakPolarHBondContact O-CB 3.42Å; A84-K89 PolarHBondContact O-N 2.88Å; A87-K89 HydrophobicContact CB-CG 4.31Å; K89-L116 WeakPolarHBondContact O-CD1 3.41Å
90H98.8Very high97.9Very high34 Ų3423.4 Ų23.416%0.15713%0.13CC..EExtended strand (participates in β ladder)trans-67.3154.2164.9-52.3-86.9000109.5S66 I67 I68 V117 M285 I289S66-H90 PolarHBondContact O-CD2 3.47Å; S66-H90 PolarHBondContact O-N 2.9Å; I67-H90 CarbonylContact C-O 3.52Å; I67-H90 WeakPolarHBondContact CA-O 3.43Å; I67-H90 HydrophobicContact CG1-CB 4.16Å; I68-H90 PolarHBondContact N-O 3Å; H90-V117 CarbonylContact C-O 3.6Å; H90-V117 WeakPolarHBondContact CA-O 3.41Å; H90-V117 HydrophobicContact CB-CB 4.37Å; H90-V117 PolarHBondContact ND1-N 2.95Å; H90-M285 HydrophobicContact CB-CE 3.63Å; H90-I289 HydrophobicContact CB-CD1 3.87Å; H90-I289 HydrophobicContact CB-CG1 4.31Å
91V98.9Very high97.9Very high0 Ų024 Ų240%013%0.134CC..EExtended strand (participates in β ladder)trans-131.7125.1-172.9178.50000111.2I68 I70 I81 A84 L85 C93 V117 L118 A119 M285I68-V91 WeakPolarHBondContact O-CA 3.41Å; I70-V91 HydrophobicContact CD1-CG1 3.55Å; I70-V91 HydrophobicContact CG1-CG1 4.17Å; I81-V91 HydrophobicContact CG1-CG1 4.08Å; I81-V91 HydrophobicContact CG2-CG1 4.48Å; A84-V91 HydrophobicContact CB-CG2 3.57Å; L85-V91 HydrophobicContact CD2-CB 4.47Å; L85-V91 HydrophobicContact CD2-CG2 3.86Å; L85-V91 HydrophobicContact CG-CG2 3.95Å; V91-C93 HydrophobicContact CG1-CB 4.16Å; V91-V117 PolarHBondContact N-O 3.49Å; V91-L118 HydrophobicContact CB-CD1 3.79Å; V91-L118 HydrophobicContact CG1-CD1 3.77Å; V91-L118 CarbonylContact O-C 3.42Å; V91-L118 WeakPolarHBondContact O-CA 3.4Å; V91-A119 PolarHBondContact O-N 3.05Å; V91-M285 WeakPolarHBondContact O-CE 3.44Å
92L98.8Very high97.8Very high3 Ų327.8 Ų27.82%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-108.6114.3160.9-17966.3000107.4W6 F18 I68 Y69 I70 A119 A121 M285W6-L92 HydrophobicContact CH2-CB 4.33Å; W6-L92 HydrophobicContact CH2-CD2 3.92Å; W6-L92 HydrophobicContact CZ3-CB 4.01Å; W6-L92 HydrophobicContact CZ3-CD2 3.82Å; F18-L92 HydrophobicContact CE2-CD2 4.41Å; I68-L92 PolarHBondContact O-N 2.82Å; Y69-L92 CarbonylContact C-O 3.49Å; Y69-L92 VanDerWaalsContact CA-O 3.24Å; Y69-L92 WeakPolarHBondContact CA-O 3.23Å; Y69-L92 HydrophobicContact CD2-CB 4.41Å; Y69-L92 HydrophobicContact CD2-CD2 4.13Å; Y69-L92 HydrophobicContact CD2-CG 4.16Å; Y69-L92 WeakPolarHBondContact CD2-O 3.39Å; I70-L92 PolarHBondContact N-O 3.09Å; L92-A119 WeakPolarHBondContact CA-O 3.45Å; L92-A119 HydrophobicContact CD1-CB 3.97Å; L92-A121 HydrophobicContact CD1-CB 4.17Å; L92-A121 HydrophobicContact CG-CB 4.25Å; L92-M285 HydrophobicContact CB-SD 4.44Å
93C98.7Very high97.8Very high0 Ų028.2 Ų28.20%016%0.162CC..EExtended strand (participates in β ladder)trans-111.9138-176.7-177.90000111.2I70 I81 V91 I97 A119 E120 A121I70-C93 HydrophobicContact CB-CB 4.17Å; I81-C93 HydrophobicContact CD1-CB 3.98Å; I81-C93 HydrophobicContact CG1-CB 3.99Å; V91-C93 HydrophobicContact CG1-CB 4.16Å; C93-I97 HydrophobicContact CB-CD1 4.27Å; C93-I97 HydrophobicContact CB-CG1 3.95Å; C93-A119 PolarHBondContact N-O 3.38Å; C93-E120 CarbonylContact O-C 3.58Å; C93-E120 WeakPolarHBondContact O-CA 3.49Å; C93-A121 PolarHBondContact O-N 2.99Å
94E98Very high97.8Very high20 Ų2025.9 Ų25.99%0.09315%0.151CC..EExtended strand (participates in β ladder)trans-54.5154.9172.7-91.7-61.9147.800113.3I14 Y69 I70 H77 A96 I97I14-E94 HydrophobicContact CG1-CG 4.19Å; I14-E94 WeakPolarHBondContact CG1-OE1 3.34Å; I14-E94 HydrophobicContact CG2-CG 4.17Å; Y69-E94 HydrophobicContact CE2-CG 4Å; Y69-E94 VanDerWaalsContact OH-CG 3.29Å; Y69-E94 WeakPolarHBondContact OH-CG 3.41Å; Y69-E94 PolarHBondContact OH-OE1 3.26Å; I70-E94 WeakPolarHBondContact O-CB 3.39Å; I70-E94 PolarHBondContact O-N 3.22Å; H77-E94 PolarHBondContact CE1-O 3.08Å; H77-E94 PolarHBondContact ND1-O 2.83Å; E94-A96 CarbonylContact O-C 3.56Å; E94-I97 WeakPolarHBondContact O-CA 3.31Å
95K96.2Very high97.8Very high26 Ų2629.5 Ų29.511%0.11317%0.168CC..SBendtrans-81.3158.4178.659.957.8157.4-175.80112.3E120 M122 D176 T179 Y180K95-E120 HydrophobicContact CB-CG 3.98Å; K95-E120 WeakPolarHBondContact CB-OE1 3.36Å; K95-M122 HydrophobicContact CB-CE 3.65Å; K95-M122 HydrophobicContact CG-CE 3.94Å; K95-D176 PolarHBondContact NZ-O 3.41Å; K95-T179 HydrophobicContact CB-CG2 4.44Å; K95-T179 HydrophobicContact CD-CG2 3.92Å; K95-T179 HydrophobicContact CG-CG2 4.35Å; K95-Y180 HydrophobicContact CD-CE2 4.47Å; K95-Y180 WeakPolarHBondContact CE-OH 3.47Å
96A95.1Very high97.8Very high1 Ų131 Ų311%0.00818%0.178CC..SBendcis-62.4135.4-24.200000108.4H77 E94 T98 E120 L175 I305H77-A96 PolarHBondContact ND1-O 2.93Å; E94-A96 CarbonylContact O-C 3.56Å; A96-T98 PolarHBondContact O-N 3.08Å; A96-E120 WeakPolarHBondContact CA-OE1 3.23Å; A96-L175 HydrophobicContact CB-CD2 4.21Å; A96-I305 HydrophobicContact CB-CD1 4.29Å
97I97.7Very high97.8Very high0 Ų025.3 Ų25.30%015%0.152CC..SBendtrans-56.3-31.3-169.7-172.7161.6000113.9H77 I81 C93 E94 L104 L118 E120 T301 I305H77-I97 WeakPolarHBondContact CB-O 3.25Å; I81-I97 HydrophobicContact CD1-CG1 3.8Å; I81-I97 WeakPolarHBondContact CD1-O 3.16Å; C93-I97 HydrophobicContact CB-CD1 4.27Å; C93-I97 HydrophobicContact CB-CG1 3.95Å; E94-I97 WeakPolarHBondContact O-CA 3.31Å; I97-L104 HydrophobicContact CD1-CD1 4.27Å; I97-L104 HydrophobicContact CG2-CD1 3.85Å; I97-L104 HydrophobicContact CG2-CD2 4.32Å; I97-L118 HydrophobicContact CD1-CD1 4.06Å; I97-L118 HydrophobicContact CD1-CG 4.19Å; I97-E120 HydrophobicContact CB-CB 4Å; I97-E120 HydrophobicContact CB-CG 3.87Å; I97-E120 HydrophobicContact CD1-CB 3.98Å; I97-E120 HydrophobicContact CG2-CG 4.49Å; I97-E120 PolarHBondContact N-OE1 3.38Å; I97-T301 HydrophobicContact CB-CG2 4.45Å; I97-T301 HydrophobicContact CG2-CG2 3.48Å; I97-T301 VanDerWaalsContact CG2-CG2 3.48Å; I97-I305 HydrophobicContact CG2-CD1 4.34Å; I97-I305 HydrophobicContact CG2-CG1 4.21Å
98T97.3Very high97.8Very high1 Ų124.2 Ų24.21%0.00614%0.139CC..SBendtrans-148.8169.6177.757.20000109.9H78 I81 A96 N100 E103 L104H78-T98 HydrophobicContact CB-CG2 4.46Å; I81-T98 HydrophobicContact CD1-CG2 4.21Å; A96-T98 PolarHBondContact O-N 3.08Å; T98-N100 PolarHBondContact OG1-O 2.69Å; T98-N100 VanDerWaalsContact OG1-O 3.1Å; T98-E103 HydrophobicContact CG2-CB 3.96Å; T98-L104 HydrophobicContact CG2-CB 4.2Å; T98-L104 WeakPolarHBondContact OG1-CB 3.42Å
99M94.6Very high97.8Very high40 Ų4027.1 Ų27.120%0.19714%0.142CC..SBendtrans-78.7-20.3-178.9-67.2-62.7-54.700113.6N74 R75 E103 A170 L175N74-M99 HydrophobicContact CB-SD 4.05Å; R75-M99 HydrophobicContact CG-CE 4.44Å; R75-M99 HydrophobicContact CG-SD 3.98Å; M99-E103 WeakPolarHBondContact CB-OE2 3.45Å; M99-E103 PolarHBondContact N-OE2 3.23Å; M99-A170 HydrophobicContact CE-CB 3.74Å; M99-A170 HydrophobicContact SD-CB 3.9Å; M99-L175 HydrophobicContact CE-CD1 3.39Å; M99-L175 HydrophobicContact SD-CD1 3.92Å
100N95.9Very high97.8Very high45 Ų4526.9 Ų26.924%0.24114%0.141CC..SBendtrans-164168.6-175.958.874.2000111.2T98 S102 E103 L104 D309T98-N100 PolarHBondContact OG1-O 2.69Å; T98-N100 VanDerWaalsContact OG1-O 3.1Å; N100-S102 VanDerWaalsContact C-N 3.31Å; N100-S102 PolarHBondContact O-N 2.98Å; N100-S102 WeakPolarHBondContact OD1-CB 3.48Å; N100-S102 PolarHBondContact OD1-N 3.33Å; N100-S102 VanDerWaalsContact OD1-N 3.11Å; N100-E103 PolarHBondContact ND2-OE1 3.09Å; N100-E103 PolarHBondContact O-N 2.6Å; N100-E103 PolarHBondContact OD1-N 2.94Å; N100-L104 PolarHBondContact O-N 2.86Å; N100-D309 WeakPolarHBondContact CA-OD1 3.21Å; N100-D309 WeakPolarHBondContact CB-OD1 3.35Å
101L97.3Very high97.8Very high24 Ų2425.5 Ų25.513%0.12614%0.135CC..Hα-helixtrans-64.7-33.6-176.3-178.563.3000112.8L104 Q105 K302 I305 D306 D309L101-L104 PolarHBondContact O-N 2.96Å; L101-Q105 HydrophobicContact CD1-CG 4.23Å; L101-Q105 HydrophobicContact CG-CG 4.22Å; L101-Q105 WeakPolarHBondContact O-CB 3.34Å; L101-Q105 VanDerWaalsContact O-CG 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.48Å; L101-Q105 PolarHBondContact O-N 3.32Å; L101-K302 HydrophobicContact CD1-CG 3.84Å; L101-I305 HydrophobicContact CB-CG2 4.08Å; L101-I305 VanDerWaalsContact N-CG2 3.26Å; L101-D306 HydrophobicContact CD1-CB 4.47Å; L101-D306 HydrophobicContact CD2-CB 4Å; L101-D306 WeakPolarHBondContact CD2-OD1 3.27Å; L101-D309 VanDerWaalsContact CB-OD2 3.23Å; L101-D309 WeakPolarHBondContact CB-OD2 3.49Å; L101-D309 PolarHBondContact N-OD2 2.94Å
102S97.9Very high97.7Very high81 Ų8132.1 Ų32.157%0.56617%0.166SC*.Hα-helixtrans-65.5-41.8-179.7-174.50000111.8N100 S106N100-S102 VanDerWaalsContact C-N 3.31Å; N100-S102 PolarHBondContact O-N 2.98Å; N100-S102 WeakPolarHBondContact OD1-CB 3.48Å; N100-S102 PolarHBondContact OD1-N 3.33Å; N100-S102 VanDerWaalsContact OD1-N 3.11Å; S102-S106 PolarHBondContact O-N 2.81Å
103E98.1Very high97.7Very high46 Ų4639.7 Ų39.722%0.21520%0.195CC..Hα-helixtrans-60.9-49.7173.3-78.2175.3-162.300110.6H78 T98 M99 N100 Q105 S106 A107H78-E103 HydrophobicContact CB-CB 4.19Å; H78-E103 HydrophobicContact CB-CG 4.12Å; H78-E103 PolarHBondContact CD2-O 2.92Å; T98-E103 HydrophobicContact CG2-CB 3.96Å; M99-E103 WeakPolarHBondContact CB-OE2 3.45Å; M99-E103 PolarHBondContact N-OE2 3.23Å; N100-E103 PolarHBondContact ND2-OE1 3.09Å; N100-E103 PolarHBondContact O-N 2.6Å; N100-E103 PolarHBondContact OD1-N 2.94Å; E103-Q105 PolarHBondContact O-N 2.88Å; E103-S106 PolarHBondContact O-N 3.12Å; E103-S106 PolarHBondContact O-OG 2.86Å; E103-A107 PolarHBondContact O-N 2.79Å
104L98.5Very high97.7Very high0 Ų044.4 Ų44.40%022%0.215CC..Hα-helixtrans-58.4-46.2178.6-178.356000111.9I97 T98 N100 L101 S106 A107 I108 L298 T301 K302 I305I97-L104 HydrophobicContact CD1-CD1 4.27Å; I97-L104 HydrophobicContact CG2-CD1 3.85Å; I97-L104 HydrophobicContact CG2-CD2 4.32Å; T98-L104 HydrophobicContact CG2-CB 4.2Å; T98-L104 WeakPolarHBondContact OG1-CB 3.42Å; N100-L104 PolarHBondContact O-N 2.86Å; L101-L104 PolarHBondContact O-N 2.96Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.28Å; L104-A107 PolarHBondContact O-N 3.49Å; L104-A107 VanDerWaalsContact O-N 3.14Å; L104-I108 HydrophobicContact CD1-CD1 4.02Å; L104-I108 HydrophobicContact CD1-CG1 4.03Å; L104-I108 HydrophobicContact CD2-CD1 4.33Å; L104-I108 HydrophobicContact CG-CD1 3.74Å; L104-I108 HydrophobicContact CG-CG1 4.2Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 PolarHBondContact O-N 3.35Å; L104-L298 HydrophobicContact CD1-CD1 4.26Å; L104-T301 HydrophobicContact CD2-CG2 3.93Å; L104-K302 HydrophobicContact CD2-CB 4.23Å; L104-I305 HydrophobicContact CD2-CB 4.09Å; L104-I305 HydrophobicContact CD2-CG1 3.8Å
105Q98.4Very high97.7Very high77 Ų7751.8 Ų51.836%0.3625%0.25SC..Hα-helixtrans-56.3-47.4178.5-78.1171.9-12.100111.5L101 E103 A107 I108 E109L101-Q105 HydrophobicContact CD1-CG 4.23Å; L101-Q105 HydrophobicContact CG-CG 4.22Å; L101-Q105 WeakPolarHBondContact O-CB 3.34Å; L101-Q105 VanDerWaalsContact O-CG 3.23Å; L101-Q105 WeakPolarHBondContact O-CG 3.48Å; L101-Q105 PolarHBondContact O-N 3.32Å; E103-Q105 PolarHBondContact O-N 2.88Å; Q105-A107 VanDerWaalsContact C-N 3.27Å; Q105-A107 PolarHBondContact O-N 3.36Å; Q105-I108 PolarHBondContact O-N 3.37Å; Q105-E109 WeakPolarHBondContact O-CG 3.38Å; Q105-E109 PolarHBondContact O-N 3.32Å
106S98.5Very high97.8Very high32 Ų3251.8 Ų51.822%0.22425%0.251CS..Hα-helixtrans-61.7-34.9178.771.10000113.3H78 S102 E103 L104 L110H78-S106 PolarHBondContact NE2-OG 3.09Å; S102-S106 PolarHBondContact O-N 2.81Å; E103-S106 PolarHBondContact O-N 3.12Å; E103-S106 PolarHBondContact O-OG 2.86Å; L104-S106 VanDerWaalsContact C-N 3.34Å; L104-S106 PolarHBondContact O-N 3.28Å; S106-L110 PolarHBondContact O-N 2.77Å
107A98.8Very high98Very high0 Ų052.7 Ų52.70%026%0.256CS..Hα-helixtrans-72.8-41.8176.400000112.3I81 M82 L85 E103 L104 Q105 L110 A111 L118I81-A107 HydrophobicContact CG2-CB 3.72Å; M82-A107 HydrophobicContact SD-CB 4.06Å; L85-A107 WeakPolarHBondContact CD1-O 3.34Å; E103-A107 PolarHBondContact O-N 2.79Å; L104-A107 PolarHBondContact O-N 3.49Å; L104-A107 VanDerWaalsContact O-N 3.14Å; Q105-A107 VanDerWaalsContact C-N 3.27Å; Q105-A107 PolarHBondContact O-N 3.36Å; A107-L110 PolarHBondContact O-N 3.3Å; A107-A111 WeakPolarHBondContact O-CB 3.25Å; A107-A111 PolarHBondContact O-N 3.38Å; A107-L118 HydrophobicContact CB-CD2 3.71Å
108I98.6Very high98Very high21 Ų2152.8 Ų52.811%0.10826%0.257CS..Hα-helixtrans-58.5-51.4174.5-68.4173.9000109.9L104 Q105 L110 A111 E112 L118 L298 K302L104-I108 HydrophobicContact CD1-CD1 4.02Å; L104-I108 HydrophobicContact CD1-CG1 4.03Å; L104-I108 HydrophobicContact CD2-CD1 4.33Å; L104-I108 HydrophobicContact CG-CD1 3.74Å; L104-I108 HydrophobicContact CG-CG1 4.2Å; L104-I108 VanDerWaalsContact O-CG1 3.31Å; L104-I108 WeakPolarHBondContact O-CG1 3.41Å; L104-I108 PolarHBondContact O-N 3.35Å; Q105-I108 PolarHBondContact O-N 3.37Å; I108-L110 VanDerWaalsContact C-N 3.26Å; I108-L110 PolarHBondContact O-N 3.48Å; I108-A111 PolarHBondContact O-N 3.24Å; I108-A111 VanDerWaalsContact O-N 3.14Å; I108-E112 HydrophobicContact CG2-CG 4.35Å; I108-E112 WeakPolarHBondContact O-CG 3.29Å; I108-E112 PolarHBondContact O-N 3.18Å; I108-L118 HydrophobicContact CG1-CD2 4.39Å; I108-L298 HydrophobicContact CD1-CD1 4.17Å; I108-L298 HydrophobicContact CD1-CD2 4.44Å; I108-L298 HydrophobicContact CD1-CG 4.21Å; I108-L298 HydrophobicContact CG1-CD1 4.11Å; I108-L298 HydrophobicContact CG1-CD2 4.08Å; I108-L298 HydrophobicContact CG1-CG 4.28Å; I108-K302 HydrophobicContact CD1-CD 4.47Å
109E98.6Very high98.1Very high104 Ų10452.8 Ų52.849%0.48626%0.257SS..Hα-helixtrans-60-37.7-179.5-69.4174.6-175.100112.1Q105 R113Q105-E109 WeakPolarHBondContact O-CG 3.38Å; Q105-E109 PolarHBondContact O-N 3.32Å; E109-R113 WeakPolarHBondContact O-CB 3.44Å; E109-R113 VanDerWaalsContact O-CG 3.25Å; E109-R113 WeakPolarHBondContact O-CG 3.26Å; E109-R113 PolarHBondContact O-N 3.11Å; E109-R113 PolarHBondContact O-NH1 3.42Å; E109-R113 IonicContact OE2-NH1 3.75Å
110L98.8Very high98.3Very high10 Ų1051 Ų515%0.05225%0.248CC..Hα-helixtrans-68.6-44.1175.9179.261.9000111.9M82 L85 E86 S106 A107 I108 E112 R113 K114M82-L110 HydrophobicContact CE-CB 4.16Å; M82-L110 HydrophobicContact CE-CD2 3.55Å; M82-L110 HydrophobicContact CE-CG 4.46Å; M82-L110 HydrophobicContact SD-CB 4.42Å; M82-L110 HydrophobicContact SD-CD2 3.87Å; L85-L110 HydrophobicContact CB-CD2 3.67Å; L85-L110 HydrophobicContact CB-CG 3.94Å; L85-L110 HydrophobicContact CD1-CB 4.38Å; L85-L110 HydrophobicContact CD1-CD2 4.25Å; L85-L110 HydrophobicContact CD1-CG 4.33Å; E86-L110 HydrophobicContact CG-CD2 3.93Å; S106-L110 PolarHBondContact O-N 2.77Å; A107-L110 PolarHBondContact O-N 3.3Å; I108-L110 VanDerWaalsContact C-N 3.26Å; I108-L110 PolarHBondContact O-N 3.48Å; L110-E112 VanDerWaalsContact C-N 3.35Å; L110-E112 PolarHBondContact O-N 3.24Å; L110-R113 PolarHBondContact O-N 3.11Å; L110-K114 HydrophobicContact CD1-CG 3.9Å; L110-K114 HydrophobicContact CG-CG 4.4Å; L110-K114 WeakPolarHBondContact O-CB 3.5Å; L110-K114 VanDerWaalsContact O-CG 3.28Å; L110-K114 WeakPolarHBondContact O-CG 3.38Å; L110-K114 PolarHBondContact O-N 3.15Å
111A98.7Very high98.4Very high4 Ų448.9 Ų48.93%0.03324%0.237CC..Hα-helixtrans-59.5-46177.400000111.1L85 A107 I108 K114 E115 L116 L118L85-A111 HydrophobicContact CD1-CB 3.98Å; L85-A111 HydrophobicContact CD2-CB 3.9Å; A107-A111 WeakPolarHBondContact O-CB 3.25Å; A107-A111 PolarHBondContact O-N 3.38Å; I108-A111 PolarHBondContact O-N 3.24Å; I108-A111 VanDerWaalsContact O-N 3.14Å; A111-K114 CarbonylContact O-C 3.56Å; A111-K114 PolarHBondContact O-N 3Å; A111-E115 PolarHBondContact O-N 3.46Å; A111-L116 PolarHBondContact O-N 3.34Å; A111-L118 HydrophobicContact CB-CB 3.85Å
112E98Very high98.4Very high139 Ų13947.7 Ų47.765%0.6523%0.231SC*.Hα-helixtrans-60.5-48.2176.1-71.8178.416800112I108 L110 K114 E115I108-E112 HydrophobicContact CG2-CG 4.35Å; I108-E112 WeakPolarHBondContact O-CG 3.29Å; I108-E112 PolarHBondContact O-N 3.18Å; L110-E112 VanDerWaalsContact C-N 3.35Å; L110-E112 PolarHBondContact O-N 3.24Å; E112-K114 PolarHBondContact O-N 2.9Å; E112-E115 PolarHBondContact O-N 3.38Å; E112-E115 VanDerWaalsContact O-N 3.1Å
113R98.4Very high98.4Very high162 Ų16244 Ų4461%0.61121%0.205SC*.Hα-helixtrans-61-29.3177.4-75.9-172.2-50.6-97.61.9113.5E109 L110E109-R113 WeakPolarHBondContact O-CB 3.44Å; E109-R113 VanDerWaalsContact O-CG 3.25Å; E109-R113 WeakPolarHBondContact O-CG 3.26Å; E109-R113 PolarHBondContact O-N 3.11Å; E109-R113 PolarHBondContact O-NH1 3.42Å; E109-R113 IonicContact OE2-NH1 3.75Å; L110-R113 PolarHBondContact O-N 3.11Å
114K98.5Very high98.3Very high99 Ų9941.8 Ų41.843%0.4319%0.194SC..THydrogen-bonded Turntrans-93.6-3-179.6-68.8-79.9-172.3160.30112.8E86 L110 A111 E112 L116E86-K114 PolarHBondContact O-NZ 3.2Å; E86-K114 VanDerWaalsContact O-NZ 3.14Å; L110-K114 HydrophobicContact CD1-CG 3.9Å; L110-K114 HydrophobicContact CG-CG 4.4Å; L110-K114 WeakPolarHBondContact O-CB 3.5Å; L110-K114 VanDerWaalsContact O-CG 3.28Å; L110-K114 WeakPolarHBondContact O-CG 3.38Å; L110-K114 PolarHBondContact O-N 3.15Å; A111-K114 CarbonylContact O-C 3.56Å; A111-K114 PolarHBondContact O-N 3Å; E112-K114 PolarHBondContact O-N 2.9Å; K114-L116 HydrophobicContact CB-CB 4.39Å; K114-L116 HydrophobicContact CB-CD1 3.5Å; K114-L116 HydrophobicContact CB-CG 3.75Å; K114-L116 HydrophobicContact CG-CD1 4.26Å; K114-L116 PolarHBondContact O-N 2.84Å
115E97.8Very high98.3Very high176 Ų17642.1 Ų42.182%0.82220%0.196SC*.THydrogen-bonded Turntrans55.338.7-172.9-55.9-179.2144.800112.5A111 E112A111-E115 PolarHBondContact O-N 3.46Å; E112-E115 PolarHBondContact O-N 3.38Å; E112-E115 VanDerWaalsContact O-N 3.1Å
116L98.5Very high98.2Very high25 Ų2538.8 Ų38.813%0.13118%0.181CC..  trans-106.5159-179.7-64.3168.7000111L85 K89 A111 K114L85-L116 HydrophobicContact CB-CD1 4.38Å; L85-L116 HydrophobicContact CD2-CB 3.89Å; L85-L116 HydrophobicContact CD2-CD1 3.92Å; L85-L116 WeakPolarHBondContact O-CD1 3.35Å; K89-L116 WeakPolarHBondContact O-CD1 3.41Å; A111-L116 PolarHBondContact O-N 3.34Å; K114-L116 HydrophobicContact CB-CB 4.39Å; K114-L116 HydrophobicContact CB-CD1 3.5Å; K114-L116 HydrophobicContact CB-CG 3.75Å; K114-L116 HydrophobicContact CG-CD1 4.26Å; K114-L116 PolarHBondContact O-N 2.84Å
117V98.5Very high98.2Very high21 Ų2137.3 Ų37.313%0.12717%0.17CC..  trans-95.8125.6176.3177.60000107.5H90 V91 M285 M288 I289H90-V117 CarbonylContact C-O 3.6Å; H90-V117 WeakPolarHBondContact CA-O 3.41Å; H90-V117 HydrophobicContact CB-CB 4.37Å; H90-V117 PolarHBondContact ND1-N 2.95Å; V91-V117 PolarHBondContact N-O 3.49Å; V117-M285 HydrophobicContact CB-CE 3.92Å; V117-M285 HydrophobicContact CG1-CE 3.68Å; V117-M285 HydrophobicContact CG1-SD 3.67Å; V117-M288 HydrophobicContact CG1-CB 4.06Å; V117-M288 HydrophobicContact CG1-CE 4.29Å; V117-M288 HydrophobicContact CG1-SD 4.4Å; V117-M288 HydrophobicContact CG2-CB 4.38Å; V117-I289 HydrophobicContact CB-CG1 4.03Å; V117-I289 HydrophobicContact CG2-CG1 3.79Å
118L98.8Very high98.1Very high1 Ų138.7 Ų38.71%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-114.8126.3168.7174.664.5000108.2I81 V91 I97 A107 I108 A111 N295I81-L118 HydrophobicContact CG1-CD1 4.45Å; I81-L118 HydrophobicContact CG2-CD1 3.67Å; I81-L118 HydrophobicContact CG2-CD2 4.29Å; V91-L118 HydrophobicContact CB-CD1 3.79Å; V91-L118 HydrophobicContact CG1-CD1 3.77Å; V91-L118 CarbonylContact O-C 3.42Å; V91-L118 WeakPolarHBondContact O-CA 3.4Å; I97-L118 HydrophobicContact CD1-CD1 4.06Å; I97-L118 HydrophobicContact CD1-CG 4.19Å; A107-L118 HydrophobicContact CB-CD2 3.71Å; I108-L118 HydrophobicContact CG1-CD2 4.39Å; A111-L118 HydrophobicContact CB-CB 3.85Å; L118-N295 PolarHBondContact O-ND2 3.19Å
119A98.5Very high98.1Very high2 Ų237.7 Ų37.72%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-137.8150.4176.900000111.4V91 L92 C93 M285 M288V91-A119 PolarHBondContact O-N 3.05Å; L92-A119 WeakPolarHBondContact CA-O 3.45Å; L92-A119 HydrophobicContact CD1-CB 3.97Å; C93-A119 PolarHBondContact N-O 3.38Å; A119-M285 HydrophobicContact CB-SD 3.91Å; A119-M288 HydrophobicContact CB-CE 3.94Å
120E98.5Very high98.1Very high1 Ų132.8 Ų32.81%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-88.7135.4168.6-176.3174.9-143.200109.5C93 K95 A96 I97 M122 T301C93-E120 CarbonylContact O-C 3.58Å; C93-E120 WeakPolarHBondContact O-CA 3.49Å; K95-E120 HydrophobicContact CB-CG 3.98Å; K95-E120 WeakPolarHBondContact CB-OE1 3.36Å; A96-E120 WeakPolarHBondContact CA-OE1 3.23Å; I97-E120 HydrophobicContact CB-CB 4Å; I97-E120 HydrophobicContact CB-CG 3.87Å; I97-E120 HydrophobicContact CD1-CB 3.98Å; I97-E120 HydrophobicContact CG2-CG 4.49Å; I97-E120 PolarHBondContact N-OE1 3.38Å; E120-M122 HydrophobicContact CB-CB 4.45Å; E120-M122 HydrophobicContact CG-CB 4.01Å; E120-M122 PolarHBondContact O-N 2.89Å; E120-T301 HydrophobicContact CB-CG2 4.05Å; E120-T301 WeakPolarHBondContact OE2-CB 3.49Å; E120-T301 WeakPolarHBondContact OE2-CG2 3.45Å; E120-T301 PolarHBondContact OE2-OG1 3.36Å
121A98.1Very high97.9Very high1 Ų136.7 Ų36.71%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-72.373.6166.900000109.3Y69 L92 C93Y69-A121 HydrophobicContact CE2-CB 4.46Å; L92-A121 HydrophobicContact CD1-CB 4.17Å; L92-A121 HydrophobicContact CG-CB 4.25Å; C93-A121 PolarHBondContact O-N 2.99Å
122M97.9Very high97.9Very high0 Ų040.7 Ų40.70%019%0.186CC..  trans-111.899.8177.6-178.255.359.600109.5K95 E120 I124 F125 N126 T179 Y180 E281K95-M122 HydrophobicContact CB-CE 3.65Å; K95-M122 HydrophobicContact CG-CE 3.94Å; E120-M122 HydrophobicContact CB-CB 4.45Å; E120-M122 HydrophobicContact CG-CB 4.01Å; E120-M122 PolarHBondContact O-N 2.89Å; M122-I124 HydrophobicContact CG-CB 4.43Å; M122-I124 PolarHBondContact O-N 3.04Å; M122-I124 VanDerWaalsContact O-N 3.12Å; M122-F125 HydrophobicContact CB-CD2 3.65Å; M122-F125 HydrophobicContact CB-CE2 4.01Å; M122-F125 HydrophobicContact CB-CG 4.29Å; M122-F125 HydrophobicContact CG-CD1 4.34Å; M122-F125 HydrophobicContact CG-CD2 3.48Å; M122-F125 VanDerWaalsContact CG-CD2 3.48Å; M122-F125 HydrophobicContact CG-CE1 4.41Å; M122-F125 HydrophobicContact CG-CE2 3.56Å; M122-F125 HydrophobicContact CG-CG 3.9Å; M122-F125 HydrophobicContact CG-CZ 4.03Å; M122-F125 PolarHBondContact O-N 2.95Å; M122-N126 PolarHBondContact O-ND2 3.07Å; M122-T179 HydrophobicContact CE-CG2 4.12Å; M122-T179 WeakPolarHBondContact CE-OG1 3.44Å; M122-Y180 HydrophobicContact CE-CD1 4.5Å; M122-Y180 HydrophobicContact SD-CD1 3.62Å; M122-Y180 HydrophobicContact SD-CE1 3.8Å; M122-E281 PolarHBondContact N-OE1 3.27Å; M122-E281 VanDerWaalsContact N-OE1 3.15Å
123T97.2Very high97.9Very high2 Ų234 Ų341%0.01216%0.155CC..G310 helixtrans-55.2-37.6-173.746.50000112.9F125 N126 M127 Y180 P252 R253 A277 E281T123-F125 PolarHBondContact O-N 2.59Å; T123-N126 PolarHBondContact O-N 3.36Å; T123-M127 WeakPolarHBondContact O-CG 3.39Å; T123-M127 PolarHBondContact O-N 2.93Å; T123-Y180 WeakPolarHBondContact OG1-CE1 3.29Å; T123-P252 WeakPolarHBondContact CB-O 3.41Å; T123-P252 PolarHBondContact OG1-O 3.06Å; T123-R253 HydrophobicContact CG2-CG 4.07Å; T123-A277 HydrophobicContact CG2-CB 3.78Å; T123-E281 VanDerWaalsContact CA-OE1 3.26Å; T123-E281 WeakPolarHBondContact CA-OE1 3.5Å; T123-E281 WeakPolarHBondContact CG2-OE1 3.42Å; T123-E281 PolarHBondContact N-OE1 3.4Å
124I97.6Very high97.7Very high0 Ų029 Ų290%014%0.138CC..G310 helixtrans-54.9-38.4178.1-66.8175.6000112.3M122 N126 Y130 Y180 F184 W187 Y251M122-I124 HydrophobicContact CG-CB 4.43Å; M122-I124 PolarHBondContact O-N 3.04Å; M122-I124 VanDerWaalsContact O-N 3.12Å; I124-N126 PolarHBondContact O-N 3.19Å; I124-Y130 HydrophobicContact CB-CD2 4.35Å; I124-Y130 HydrophobicContact CB-CE2 4.11Å; I124-Y130 HydrophobicContact CG1-CE2 4.05Å; I124-Y130 HydrophobicContact CG2-CD1 4.32Å; I124-Y130 HydrophobicContact CG2-CD2 4Å; I124-Y130 HydrophobicContact CG2-CE1 4.21Å; I124-Y130 HydrophobicContact CG2-CE2 3.92Å; I124-Y130 HydrophobicContact CG2-CG 4.24Å; I124-Y130 WeakPolarHBondContact O-CB 3.48Å; I124-Y130 WeakPolarHBondContact O-CD2 3.35Å; I124-Y180 HydrophobicContact CD1-CD1 4.06Å; I124-Y180 WeakPolarHBondContact CD1-O 3.4Å; I124-Y180 HydrophobicContact CG1-CD1 4.35Å; I124-F184 HydrophobicContact CD1-CB 4Å; I124-W187 HydrophobicContact CG2-CB 4.46Å; I124-Y251 HydrophobicContact CD1-CD2 4.04Å; I124-Y251 HydrophobicContact CD1-CE2 4.34Å
125F97.1Very high97.5Very high8 Ų827.1 Ų27.14%0.03514%0.14CC..G310 helixtrans-79.4-7.8-178.5-56-27000113.2M122 T123 S183 W187 F300 V304M122-F125 HydrophobicContact CB-CD2 3.65Å; M122-F125 HydrophobicContact CB-CE2 4.01Å; M122-F125 HydrophobicContact CB-CG 4.29Å; M122-F125 HydrophobicContact CG-CD1 4.34Å; M122-F125 HydrophobicContact CG-CD2 3.48Å; M122-F125 VanDerWaalsContact CG-CD2 3.48Å; M122-F125 HydrophobicContact CG-CE1 4.41Å; M122-F125 HydrophobicContact CG-CE2 3.56Å; M122-F125 HydrophobicContact CG-CG 3.9Å; M122-F125 HydrophobicContact CG-CZ 4.03Å; M122-F125 PolarHBondContact O-N 2.95Å; T123-F125 PolarHBondContact O-N 2.59Å; F125-S183 WeakPolarHBondContact CZ-OG 3.41Å; F125-W187 HydrophobicContact CB-CZ3 4.23Å; F125-W187 HydrophobicContact CD1-CD2 4.37Å; F125-W187 AromaticContact CD1-CE3 3.45Å; F125-W187 HydrophobicContact CD1-CE3 3.45Å; F125-W187 VanDerWaalsContact CD1-CE3 3.45Å; F125-W187 AromaticContact CD1-CZ3 3.84Å; F125-W187 HydrophobicContact CD1-CZ3 3.84Å; F125-W187 AromaticContact CE1-CE3 3.97Å; F125-W187 HydrophobicContact CE1-CE3 3.97Å; F125-W187 HydrophobicContact CG-CE3 4.39Å; F125-W187 HydrophobicContact CG-CZ3 4.36Å; F125-F300 HydrophobicContact CD1-CB 4.37Å; F125-F300 HydrophobicContact CD2-CB 4.35Å; F125-F300 HydrophobicContact CE1-CB 3.82Å; F125-F300 HydrophobicContact CE1-CG 4.41Å; F125-F300 HydrophobicContact CE2-CB 3.8Å; F125-F300 HydrophobicContact CZ-CB 3.5Å; F125-V304 HydrophobicContact CZ-CG2 4.11Å
126N96.9Very high97.4Very high7 Ų719.6 Ų19.64%0.03711%0.106CC..THydrogen-bonded Turntrans-119.3-23.2-171.4-62.2-74.7000113.7M122 T123 I124 Y280 E281 H284M122-N126 PolarHBondContact O-ND2 3.07Å; T123-N126 PolarHBondContact O-N 3.36Å; I124-N126 PolarHBondContact O-N 3.19Å; N126-Y280 WeakPolarHBondContact O-CB 3.42Å; N126-E281 HydrophobicContact CB-CB 4.48Å; N126-E281 HydrophobicContact CB-CG 3.74Å; N126-H284 PolarHBondContact O-CE1 3.05Å; N126-H284 PolarHBondContact OD1-ND1 3.34Å
127M97.7Very high97.3Very high0 Ų019.8 Ų19.80%011%0.107CC..  trans-62.4136.7177.1-63.2-66.5-68.100111.8T123 L129 Y130 R253 A254 D255 A277 Y280T123-M127 WeakPolarHBondContact O-CG 3.39Å; T123-M127 PolarHBondContact O-N 2.93Å; M127-L129 VanDerWaalsContact C-N 3.3Å; M127-L129 PolarHBondContact O-N 2.95Å; M127-Y130 HydrophobicContact CB-CD2 3.91Å; M127-Y130 HydrophobicContact CB-CE2 4.46Å; M127-Y130 HydrophobicContact CG-CD2 4.46Å; M127-Y130 PolarHBondContact O-N 3.27Å; M127-R253 WeakPolarHBondContact CE-O 3.18Å; M127-A254 VanDerWaalsContact CE-O 3.28Å; M127-A254 WeakPolarHBondContact CE-O 3.29Å; M127-D255 HydrophobicContact CE-CB 4.37Å; M127-A277 HydrophobicContact SD-CB 3.6Å; M127-A277 VanDerWaalsContact SD-CB 3.6Å; M127-Y280 HydrophobicContact CE-CE2 4.27Å; M127-Y280 HydrophobicContact SD-CD2 3.83Å; M127-Y280 HydrophobicContact SD-CE2 4.16Å
128P97.8Very high97.1Very high30 Ų3024.3 Ų24.320%0.19513%0.13CC..Hα-helixtrans-54.7-40176.5-30.337.2000114.3Y130 K131 E132 S271 Y280P128-Y130 VanDerWaalsContact C-N 3.28Å; P128-Y130 PolarHBondContact O-N 2.93Å; P128-K131 WeakPolarHBondContact O-CB 3.41Å; P128-K131 PolarHBondContact O-N 3.44Å; P128-E132 PolarHBondContact O-N 3.32Å; P128-E132 VanDerWaalsContact O-N 3.16Å; P128-S271 VanDerWaalsContact CB-OG 3.29Å; P128-S271 WeakPolarHBondContact CB-OG 3.5Å; P128-Y280 HydrophobicContact CG-CD1 4.05Å; P128-Y280 HydrophobicContact CG-CD2 4.33Å; P128-Y280 HydrophobicContact CG-CE1 3.72Å; P128-Y280 HydrophobicContact CG-CE2 4.04Å; P128-Y280 HydrophobicContact CG-CG 4.35Å
129L98.5Very high97Very high0 Ų028.1 Ų28.10%016%0.156CC..Hα-helixtrans-49.3-47.1176.6-178.571.5000112.8M127 K131 E132 L133 I248 A254 Q256 A257 I269 S271M127-L129 VanDerWaalsContact C-N 3.3Å; M127-L129 PolarHBondContact O-N 2.95Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.06Å; L129-E132 PolarHBondContact O-N 3.46Å; L129-E132 VanDerWaalsContact O-N 3.16Å; L129-L133 HydrophobicContact CD1-CD1 4.3Å; L129-L133 HydrophobicContact CD1-CG 4.28Å; L129-L133 HydrophobicContact CD2-CD1 4.31Å; L129-L133 HydrophobicContact CG-CD1 3.91Å; L129-L133 HydrophobicContact CG-CG 4.23Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 3.49Å; L129-I248 HydrophobicContact CD2-CG2 4.24Å; L129-A254 HydrophobicContact CD2-CB 3.64Å; L129-A254 WeakPolarHBondContact CD2-O 3Å; L129-Q256 WeakPolarHBondContact CD2-O 3.47Å; L129-A257 HydrophobicContact CD1-CB 4.06Å; L129-A257 HydrophobicContact CD2-CB 4.37Å; L129-I269 HydrophobicContact CD1-CB 4.47Å; L129-I269 HydrophobicContact CD1-CG2 3.89Å; L129-S271 PolarHBondContact N-O 3.12Å
130Y98Very high96.9Very high0 Ų030.2 Ų30.20%018%0.178CC..Hα-helixtrans-67.1-30.6-176.5-76.7-65.1000113.1I124 M127 P128 H134 F184 W187 F188 I248 Y251I124-Y130 HydrophobicContact CB-CD2 4.35Å; I124-Y130 HydrophobicContact CB-CE2 4.11Å; I124-Y130 HydrophobicContact CG1-CE2 4.05Å; I124-Y130 HydrophobicContact CG2-CD1 4.32Å; I124-Y130 HydrophobicContact CG2-CD2 4Å; I124-Y130 HydrophobicContact CG2-CE1 4.21Å; I124-Y130 HydrophobicContact CG2-CE2 3.92Å; I124-Y130 HydrophobicContact CG2-CG 4.24Å; I124-Y130 WeakPolarHBondContact O-CB 3.48Å; I124-Y130 WeakPolarHBondContact O-CD2 3.35Å; M127-Y130 HydrophobicContact CB-CD2 3.91Å; M127-Y130 HydrophobicContact CB-CE2 4.46Å; M127-Y130 HydrophobicContact CG-CD2 4.46Å; M127-Y130 PolarHBondContact O-N 3.27Å; P128-Y130 VanDerWaalsContact C-N 3.28Å; P128-Y130 PolarHBondContact O-N 2.93Å; Y130-H134 WeakPolarHBondContact O-CB 3.37Å; Y130-H134 PolarHBondContact O-N 3.36Å; Y130-F184 HydrophobicContact CE1-CD2 4Å; Y130-F184 HydrophobicContact CE1-CE2 4.06Å; Y130-F184 WeakPolarHBondContact OH-CD2 3.39Å; Y130-W187 AromaticContact CD1-CD1 3.79Å; Y130-W187 AromaticContact CD1-NE1 3.9Å; Y130-W187 PolarHBondContact O-NE1 2.95Å; Y130-W187 VanDerWaalsContact O-NE1 3.08Å; Y130-F188 HydrophobicContact CD1-CE2 4.19Å; Y130-F188 AromaticContact CD1-CZ 3.78Å; Y130-F188 HydrophobicContact CD1-CZ 3.78Å; Y130-F188 AromaticContact CE1-CE2 3.86Å; Y130-F188 HydrophobicContact CE1-CE2 3.86Å; Y130-F188 AromaticContact CE1-CZ 3.77Å; Y130-F188 HydrophobicContact CE1-CZ 3.77Å; Y130-I248 HydrophobicContact CE1-CD1 4.24Å; Y130-Y251 VanDerWaalsContact OH-C 3.32Å; Y130-Y251 WeakPolarHBondContact OH-CA 3.42Å; Y130-Y251 WeakPolarHBondContact OH-CB 3.44Å; Y130-Y251 PolarHBondContact OH-O 3.33Å
131K95.5Very high96.8Very high92 Ų9235 Ų3540%0.420%0.196SC..Hα-helixtrans-67.1-43.4172.2-65.8-178.1176.9178.70111.3P128 L129 H134 A135 H284P128-K131 WeakPolarHBondContact O-CB 3.41Å; P128-K131 PolarHBondContact O-N 3.44Å; L129-K131 VanDerWaalsContact C-N 3.29Å; L129-K131 PolarHBondContact O-N 3.06Å; K131-H134 PolarHBondContact O-N 2.88Å; K131-A135 PolarHBondContact O-N 3.32Å; K131-H284 WeakPolarHBondContact CE-CE1 3.4Å; K131-H284 WeakPolarHBondContact CE-NE2 3.28Å; K131-H284 PolarHBondContact NZ-CE1 3.01Å; K131-H284 PolarHBondContact NZ-NE2 3.29Å
132E97.4Very high96.8Very high88 Ų8835 Ų3541%0.41120%0.196SC..Hα-helixtrans-65.4-42.1177.4-71.1-170.7-160.800112.3P128 L129 H134 A135 L136 I269 S271P128-E132 PolarHBondContact O-N 3.32Å; P128-E132 VanDerWaalsContact O-N 3.16Å; L129-E132 PolarHBondContact O-N 3.46Å; L129-E132 VanDerWaalsContact O-N 3.16Å; E132-H134 VanDerWaalsContact C-N 3.35Å; E132-H134 PolarHBondContact O-N 2.93Å; E132-A135 PolarHBondContact O-N 2.77Å; E132-L136 WeakPolarHBondContact O-CB 3.36Å; E132-L136 PolarHBondContact O-N 3.29Å; E132-I269 HydrophobicContact CB-CG2 4.47Å; E132-I269 WeakPolarHBondContact OE2-CG2 3.35Å; E132-S271 WeakPolarHBondContact OE1-CB 3.38Å; E132-S271 PolarHBondContact OE1-OG 3.34Å
133L97.8Very high96.8Very high0 Ų036.1 Ų36.10%021%0.208CC..Hα-helixtrans-66-37.1176.8-64.9178.9000112.3L129 L136 M137 F188 L246 I248 A257 I269L129-L133 HydrophobicContact CD1-CD1 4.3Å; L129-L133 HydrophobicContact CD1-CG 4.28Å; L129-L133 HydrophobicContact CD2-CD1 4.31Å; L129-L133 HydrophobicContact CG-CD1 3.91Å; L129-L133 HydrophobicContact CG-CG 4.23Å; L129-L133 VanDerWaalsContact O-CG 3.3Å; L129-L133 WeakPolarHBondContact O-CG 3.24Å; L129-L133 PolarHBondContact O-N 3.49Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3.49Å; L133-M137 WeakPolarHBondContact O-CG 3.45Å; L133-M137 PolarHBondContact O-N 3.38Å; L133-M137 VanDerWaalsContact O-N 3.08Å; L133-F188 HydrophobicContact CB-CE1 3.98Å; L133-F188 HydrophobicContact CB-CZ 4.43Å; L133-F188 HydrophobicContact CD1-CE1 4.32Å; L133-F188 HydrophobicContact CD1-CZ 4.01Å; L133-L246 HydrophobicContact CD2-CD1 4.14Å; L133-L246 HydrophobicContact CD2-CD2 4.42Å; L133-I248 HydrophobicContact CD1-CD1 3.46Å; L133-I248 VanDerWaalsContact CD1-CD1 3.46Å; L133-I248 HydrophobicContact CD1-CG1 4.19Å; L133-A257 HydrophobicContact CD1-CB 3.93Å; L133-A257 HydrophobicContact CD2-CB 3.92Å; L133-A257 HydrophobicContact CG-CB 4.45Å; L133-I269 HydrophobicContact CD2-CD1 3.84Å
134H94.5Very high96.8Very high57 Ų5742.9 Ų42.926%0.26424%0.237SC..Hα-helixtrans-65.6-42.6173.1-166.1-68.9000111.1Y130 K131 E132 L136 M137 D138 W187Y130-H134 WeakPolarHBondContact O-CB 3.37Å; Y130-H134 PolarHBondContact O-N 3.36Å; K131-H134 PolarHBondContact O-N 2.88Å; E132-H134 VanDerWaalsContact C-N 3.35Å; E132-H134 PolarHBondContact O-N 2.93Å; H134-L136 VanDerWaalsContact C-N 3.31Å; H134-L136 PolarHBondContact O-N 2.78Å; H134-M137 WeakPolarHBondContact O-CB 3.47Å; H134-M137 PolarHBondContact O-N 3.23Å; H134-M137 VanDerWaalsContact O-N 3.11Å; H134-D138 IonicContact CE1-OD1 3.6Å; H134-D138 PolarHBondContact CE1-OD1 3.08Å; H134-D138 IonicContact CE1-OD2 3.71Å; H134-D138 PolarHBondContact CE1-OD2 2.63Å; H134-D138 IonicContact ND1-OD1 2.88Å; H134-D138 IonicContact ND1-OD2 3.26Å; H134-D138 PolarHBondContact ND1-OD2 2.86Å; H134-D138 PolarHBondContact O-N 2.92Å; H134-W187 HydrophobicContact CB-CZ2 4.32Å
135A95.6Very high96.8Very high58 Ų5843.2 Ų43.248%0.47924%0.239SC..Hα-helixtrans-62.6-37.3175.500000112.4K131 E132 M137 D138 S139K131-A135 PolarHBondContact O-N 3.32Å; E132-A135 PolarHBondContact O-N 2.77Å; A135-M137 VanDerWaalsContact C-N 3.33Å; A135-M137 PolarHBondContact O-N 3.47Å; A135-D138 PolarHBondContact O-N 2.9Å; A135-S139 PolarHBondContact O-N 2.87Å
136L96.1Very high96.9Very high18 Ų1847.6 Ų47.69%0.09426%0.258CS..Hα-helixtrans-60.1-42.2172.3175.370.4000111.5E132 L133 H134 S139 R141 M142 L246 I259 I269E132-L136 WeakPolarHBondContact O-CB 3.36Å; E132-L136 PolarHBondContact O-N 3.29Å; L133-L136 WeakPolarHBondContact O-CB 3.42Å; L133-L136 PolarHBondContact O-N 3.49Å; H134-L136 VanDerWaalsContact C-N 3.31Å; H134-L136 PolarHBondContact O-N 2.78Å; L136-S139 PolarHBondContact O-N 2.99Å; L136-S139 PolarHBondContact O-OG 3.36Å; L136-R141 HydrophobicContact CD1-CB 4.15Å; L136-R141 HydrophobicContact CD1-CG 4.26Å; L136-M142 HydrophobicContact CD2-CG 4.09Å; L136-M142 HydrophobicContact CD2-SD 4.34Å; L136-M142 HydrophobicContact CG-CG 4.1Å; L136-L246 HydrophobicContact CD2-CD2 4.16Å; L136-I259 HydrophobicContact CD2-CD1 3.75Å; L136-I269 HydrophobicContact CD2-CD1 4.06Å
137M95.2Very high97Very high30 Ų3051.1 Ų51.115%0.14828%0.275CS..Hα-helixtrans-65.6-47.2175.5-72.1174.36200112.4L133 H134 A135 S139 G140 F188 F241L133-M137 WeakPolarHBondContact O-CG 3.45Å; L133-M137 PolarHBondContact O-N 3.38Å; L133-M137 VanDerWaalsContact O-N 3.08Å; H134-M137 WeakPolarHBondContact O-CB 3.47Å; H134-M137 PolarHBondContact O-N 3.23Å; H134-M137 VanDerWaalsContact O-N 3.11Å; A135-M137 VanDerWaalsContact C-N 3.33Å; A135-M137 PolarHBondContact O-N 3.47Å; M137-S139 PolarHBondContact O-N 3.46Å; M137-G140 PolarHBondContact O-N 2.8Å; M137-F188 HydrophobicContact CE-CB 4.48Å; M137-F188 WeakPolarHBondContact CE-O 3.25Å; M137-F188 HydrophobicContact SD-CB 4.42Å; M137-F188 HydrophobicContact SD-CD1 3.47Å; M137-F188 WeakPolarHBondContact SD-CD1 3.24Å; M137-F188 HydrophobicContact SD-CE1 4.22Å; M137-F188 HydrophobicContact SD-CG 4.42Å; M137-F241 HydrophobicContact CE-CE1 3.68Å; M137-F241 HydrophobicContact CE-CZ 4.02Å; M137-F241 HydrophobicContact CG-CE1 3.65Å; M137-F241 HydrophobicContact CG-CZ 3.58Å; M137-F241 HydrophobicContact SD-CE1 3.9Å; M137-F241 HydrophobicContact SD-CZ 3.67Å
138D94.5Very high97Very high116 Ų11651.2 Ų51.262%0.6228%0.275SS*.Hα-helixtrans-60.4-28180-69.4-26.4000112.1H134 A135 G140H134-D138 IonicContact CE1-OD1 3.6Å; H134-D138 PolarHBondContact CE1-OD1 3.08Å; H134-D138 IonicContact CE1-OD2 3.71Å; H134-D138 PolarHBondContact CE1-OD2 2.63Å; H134-D138 IonicContact ND1-OD1 2.88Å; H134-D138 IonicContact ND1-OD2 3.26Å; H134-D138 PolarHBondContact ND1-OD2 2.86Å; H134-D138 PolarHBondContact O-N 2.92Å; A135-D138 PolarHBondContact O-N 2.9Å; D138-G140 PolarHBondContact O-N 3.01Å
139S96.8Very high97.1Very high80 Ų8053.7 Ų53.756%0.55929%0.285SS*.THydrogen-bonded Turntrans-66.3-15.3174.481.10000114A135 L136 M137 R141A135-S139 PolarHBondContact O-N 2.87Å; L136-S139 PolarHBondContact O-N 2.99Å; L136-S139 PolarHBondContact O-OG 3.36Å; M137-S139 PolarHBondContact O-N 3.46Å; S139-R141 PolarHBondContact O-N 3.21Å; S139-R141 VanDerWaalsContact OG-CB 3.25Å; S139-R141 WeakPolarHBondContact OG-CB 3.49Å; S139-R141 PolarHBondContact OG-N 2.82Å
140G96.4Very high97.1Very high46 Ų4653.8 Ų53.847%0.47429%0.285SS..THydrogen-bonded Turntrans76.10.1-175.100000114.5M137 D138 M142 G143M137-G140 PolarHBondContact O-N 2.8Å; D138-G140 PolarHBondContact O-N 3.01Å; G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.89Å; G140-G143 PolarHBondContact O-N 3.1Å
141R96.8Very high97.1Very high102 Ų10254.9 Ų54.939%0.38529%0.292SS..THydrogen-bonded Turntrans-56.8-40.5-176.8-179.6170.7178.8-143.22.7113.2L136 S139 G143 N243 F261 E267L136-R141 HydrophobicContact CD1-CB 4.15Å; L136-R141 HydrophobicContact CD1-CG 4.26Å; S139-R141 PolarHBondContact O-N 3.21Å; S139-R141 VanDerWaalsContact OG-CB 3.25Å; S139-R141 WeakPolarHBondContact OG-CB 3.49Å; S139-R141 PolarHBondContact OG-N 2.82Å; R141-G143 VanDerWaalsContact C-N 3.28Å; R141-G143 PolarHBondContact O-N 3.13Å; R141-N243 PolarHBondContact O-ND2 3.17Å; R141-F261 HydrophobicContact CG-CE1 4.48Å; R141-F261 VanDerWaalsContact CZ-CZ 3.48Å; R141-F261 VanDerWaalsContact NH2-CZ 3.27Å; R141-E267 IonicContact CZ-OE1 3.71Å; R141-E267 IonicContact CZ-OE2 3.22Å; R141-E267 VanDerWaalsContact CZ-OE2 3.22Å; R141-E267 IonicContact NH1-OE1 3.92Å; R141-E267 IonicContact NH1-OE2 2.73Å; R141-E267 PolarHBondContact NH1-OE2 2.8Å; R141-E267 IonicContact NH2-OE1 2.64Å; R141-E267 PolarHBondContact NH2-OE1 3.3Å; R141-E267 IonicContact NH2-OE2 2.86Å; R141-E267 PolarHBondContact NH2-OE2 3.31Å
142M97.6Very high97.2Very high0 Ų050.9 Ų50.90%028%0.275CS..THydrogen-bonded Turntrans-79.1-10.6179.7-62.7-57.7-6900113.2L136 G140 F241 E242 N243 L246 I259 F261L136-M142 HydrophobicContact CD2-CG 4.09Å; L136-M142 HydrophobicContact CD2-SD 4.34Å; L136-M142 HydrophobicContact CG-CG 4.1Å; G140-M142 VanDerWaalsContact C-N 3.3Å; G140-M142 PolarHBondContact O-N 2.89Å; M142-F241 HydrophobicContact CB-CB 3.8Å; M142-F241 HydrophobicContact CB-CD1 3.78Å; M142-F241 HydrophobicContact CB-CD2 3.85Å; M142-F241 HydrophobicContact CB-CE1 4.3Å; M142-F241 HydrophobicContact CB-CE2 4.34Å; M142-F241 HydrophobicContact CB-CG 3.55Å; M142-F241 HydrophobicContact CE-CD2 3.78Å; M142-F241 HydrophobicContact CE-CE2 4.37Å; M142-F241 HydrophobicContact CE-CG 4.45Å; M142-F241 HydrophobicContact CG-CD2 4.26Å; M142-F241 HydrophobicContact CG-CE2 4.44Å; M142-F241 HydrophobicContact CG-CG 4.45Å; M142-F241 WeakPolarHBondContact O-CB 3.48Å; M142-E242 PolarHBondContact O-N 2.9Å; M142-N243 WeakPolarHBondContact O-CB 3.42Å; M142-N243 PolarHBondContact O-N 3.33Å; M142-L246 HydrophobicContact CE-CD2 4.26Å; M142-L246 HydrophobicContact CE-CG 4.44Å; M142-I259 HydrophobicContact CE-CG2 3.73Å; M142-I259 HydrophobicContact SD-CG2 3.79Å; M142-F261 HydrophobicContact SD-CE1 3.72Å; M142-F261 HydrophobicContact SD-CZ 4.16Å
143G97.6Very high97.2Very high24 Ų2446.8 Ų46.825%0.24726%0.256CS..  trans72.8-164.7-168.900000111.8G140 R141 N243G140-G143 PolarHBondContact O-N 3.1Å; R141-G143 VanDerWaalsContact C-N 3.28Å; R141-G143 PolarHBondContact O-N 3.13Å; G143-N243 PolarHBondContact N-ND2 3.41Å
144K97.5Very high97.1Very high144 Ų14448.1 Ų48.163%0.62627%0.266SS*.SBendtrans-69.8142.3-178.2-63.2177.7-177.7173.40111.6F241 E242K144-F241 CarbonylContact O-C 3.58Å; K144-F241 WeakPolarHBondContact O-CA 3.46Å; K144-E242 HydrophobicContact CB-CG 4.12Å; K144-E242 WeakPolarHBondContact CG-OE2 3.4Å; K144-E242 PolarHBondContact N-OE2 3.43Å; K144-E242 PolarHBondContact O-N 2.86Å
145L98.5Very high97.2Very high8 Ų850.7 Ų50.74%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-62.3138.9167.918068.2000109.7I148 F188 M189 E221 V239 F241L145-I148 HydrophobicContact CD1-CD1 4.4Å; L145-I148 HydrophobicContact CD1-CG1 4.05Å; L145-I148 HydrophobicContact CD2-CD1 3.91Å; L145-I148 HydrophobicContact CD2-CG1 4.34Å; L145-F188 WeakPolarHBondContact CD2-O 3.44Å; L145-M189 HydrophobicContact CD2-CG 4.17Å; L145-E221 HydrophobicContact CB-CG 4.13Å; L145-E221 HydrophobicContact CD2-CB 4.23Å; L145-E221 HydrophobicContact CD2-CG 4.14Å; L145-E221 HydrophobicContact CG-CB 4.47Å; L145-E221 HydrophobicContact CG-CG 4.17Å; L145-V239 HydrophobicContact CD1-CG1 3.5Å; L145-F241 HydrophobicContact CB-CD1 4.01Å; L145-F241 HydrophobicContact CB-CE1 3.99Å; L145-F241 HydrophobicContact CD1-CD1 4.07Å; L145-F241 HydrophobicContact CD1-CE1 3.77Å; L145-F241 HydrophobicContact CD1-CZ 4.02Å; L145-F241 HydrophobicContact CG-CE1 4.48Å
146K98.4Very high97.2Very high99 Ų9949.9 Ų49.943%0.4326%0.259SS..EExtended strand (participates in β ladder)trans-117.5-54.2178.2-59.6-54.1-56.41680111.5L222 A240 E242K146-L222 PolarHBondContact O-N 2.86Å; K146-L222 VanDerWaalsContact O-N 3.11Å; K146-A240 PolarHBondContact N-O 3.48Å; K146-E242 HydrophobicContact CD-CG 4.07Å; K146-E242 HydrophobicContact CG-CG 4.36Å
147M98.3Very high97.1Very high82 Ų8255 Ų5540%0.40428%0.283SS..EExtended strand (participates in β ladder)trans-151.2142.9-170.3-177.6166.542.700112.5L222 A240M147-L222 CarbonylContact C-O 3.55Å; M147-L222 WeakPolarHBondContact CA-O 3.21Å; M147-A240 PolarHBondContact N-O 3.23Å; M147-A240 WeakPolarHBondContact O-CB 3.37Å; M147-A240 PolarHBondContact O-N 3.06Å
148I98.8Very high97Very high1 Ų156.8 Ų56.81%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-120.5141.8173-59.1168.3000110.1L145 F184 A185 F188 M189 L222 A223 T224 I238 V239L145-I148 HydrophobicContact CD1-CD1 4.4Å; L145-I148 HydrophobicContact CD1-CG1 4.05Å; L145-I148 HydrophobicContact CD2-CD1 3.91Å; L145-I148 HydrophobicContact CD2-CG1 4.34Å; I148-F184 HydrophobicContact CG2-CD1 4.05Å; I148-F184 HydrophobicContact CG2-CE1 3.82Å; I148-A185 WeakPolarHBondContact CD1-O 3.23Å; I148-A185 HydrophobicContact CG2-CB 4.32Å; I148-F188 HydrophobicContact CD1-CB 3.68Å; I148-M189 HydrophobicContact CD1-CG 3.68Å; I148-L222 PolarHBondContact N-O 2.94Å; I148-A223 HydrophobicContact CB-CB 3.79Å; I148-A223 HydrophobicContact CG2-CB 4.44Å; I148-A223 CarbonylContact O-C 3.49Å; I148-A223 WeakPolarHBondContact O-CA 3.37Å; I148-T224 PolarHBondContact O-N 3.08Å; I148-T224 PolarHBondContact O-OG1 3.26Å; I148-I238 CarbonylContact C-O 3.55Å; I148-I238 VanDerWaalsContact CA-O 3.28Å; I148-I238 WeakPolarHBondContact CA-O 3.25Å; I148-V239 HydrophobicContact CG1-CG1 4.11Å
149Q98.7Very high97Very high83 Ų8354.4 Ų54.439%0.38828%0.284SS..EExtended strand (participates in β ladder)trans-122.3123.9167.1-55.9-176.2-2.100109.1G237 I238Q149-G237 WeakPolarHBondContact O-CA 3.49Å; Q149-I238 HydrophobicContact CB-CB 4.24Å; Q149-I238 PolarHBondContact N-O 3.23Å; Q149-I238 PolarHBondContact O-N 2.94Å
150A98.4Very high96.8Very high1 Ų153.5 Ų53.51%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-12875.7-179.200000110.5A181 F184 T224 V225 S226A150-A181 HydrophobicContact CB-CB 4.2Å; A150-F184 HydrophobicContact CB-CD1 3.92Å; A150-T224 PolarHBondContact N-O 3.05Å; A150-V225 HydrophobicContact CB-CG2 4.37Å; A150-S226 PolarHBondContact O-N 3.46Å
151P97.9Very high96.5Very high23 Ų2356.2 Ų56.215%0.14928%0.284CS..EExtended strand (participates in β ladder)trans-76.5134.5172.330.7-32.9000111.7S226 M233 K236 Y251P151-S226 CarbonylContact C-O 3.53Å; P151-S226 WeakPolarHBondContact CA-O 3.32Å; P151-M233 HydrophobicContact CB-CE 3.41Å; P151-M233 VanDerWaalsContact CB-CE 3.41Å; P151-M233 HydrophobicContact CB-SD 4.31Å; P151-K236 VanDerWaalsContact CD-O 3.24Å; P151-K236 WeakPolarHBondContact CD-O 3.25Å; P151-K236 WeakPolarHBondContact CG-O 3.47Å; P151-Y251 WeakPolarHBondContact O-CE1 3.3Å
152F97.8Very high96.1Very high9 Ų952.9 Ų52.94%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-137.6104.4170.3-151.2148.5000110.1I177 Y180 A181 S226 L227 T228 K235 Y251 P252F152-I177 HydrophobicContact CB-CB 4.45Å; F152-I177 HydrophobicContact CB-CD1 4.15Å; F152-I177 HydrophobicContact CD1-CB 3.79Å; F152-I177 HydrophobicContact CD1-CG2 4.43Å; F152-I177 WeakPolarHBondContact CD1-O 3.16Å; F152-I177 HydrophobicContact CD2-CB 3.9Å; F152-I177 HydrophobicContact CD2-CD1 3.9Å; F152-I177 HydrophobicContact CD2-CG1 4.47Å; F152-I177 HydrophobicContact CD2-CG2 4.03Å; F152-I177 HydrophobicContact CE1-CB 3.9Å; F152-I177 HydrophobicContact CE1-CG2 4.11Å; F152-I177 HydrophobicContact CE2-CB 4Å; F152-I177 HydrophobicContact CE2-CG2 3.67Å; F152-I177 HydrophobicContact CG-CB 3.81Å; F152-I177 HydrophobicContact CG-CD1 4.11Å; F152-I177 HydrophobicContact CG-CG1 4.38Å; F152-I177 HydrophobicContact CG-CG2 4.41Å; F152-I177 HydrophobicContact CZ-CB 4.01Å; F152-I177 HydrophobicContact CZ-CG2 3.72Å; F152-I177 VanDerWaalsContact O-CD1 3.23Å; F152-I177 WeakPolarHBondContact O-CD1 3.11Å; F152-Y180 AromaticContact CE1-CD2 3.84Å; F152-Y180 HydrophobicContact CE1-CD2 3.84Å; F152-Y180 HydrophobicContact CE1-CG 4.19Å; F152-A181 HydrophobicContact CB-CB 4.47Å; F152-S226 PolarHBondContact N-O 2.89Å; F152-L227 HydrophobicContact CB-CD2 3.93Å; F152-L227 WeakPolarHBondContact O-CA 3.41Å; F152-T228 PolarHBondContact O-N 3.15Å; F152-T228 VanDerWaalsContact O-N 3.07Å; F152-K235 HydrophobicContact CD2-CD 4.13Å; F152-K235 HydrophobicContact CD2-CG 3.91Å; F152-K235 HydrophobicContact CE1-CD 4.4Å; F152-K235 HydrophobicContact CE2-CD 3.47Å; F152-K235 VanDerWaalsContact CE2-CD 3.47Å; F152-K235 HydrophobicContact CE2-CG 3.78Å; F152-K235 HydrophobicContact CZ-CD 3.63Å; F152-K235 HydrophobicContact CZ-CG 4.29Å; F152-Y251 WeakPolarHBondContact CB-OH 3.42Å; F152-Y251 HydrophobicContact CD1-CE2 4.37Å; F152-Y251 AromaticContact CD1-CZ 3.89Å; F152-Y251 VanDerWaalsContact CD1-OH 3.24Å; F152-Y251 WeakPolarHBondContact CD1-OH 3.27Å; F152-P252 HydrophobicContact CD1-CG 4.25Å; F152-P252 HydrophobicContact CE1-CB 4.47Å; F152-P252 HydrophobicContact CE1-CG 3.37Å; F152-P252 HydrophobicContact CZ-CG 3.81Å
153G97.3Very high95.8Very high2 Ų259.1 Ų59.12%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-115.6114.3173.600000111.1T228 A231 M233G153-T228 CarbonylContact C-O 3.6Å; G153-T228 WeakPolarHBondContact CA-O 3.26Å; G153-A231 CarbonylContact C-O 3.56Å; G153-A231 VanDerWaalsContact C-O 3.22Å; G153-A231 VanDerWaalsContact CA-O 3.26Å; G153-A231 WeakPolarHBondContact CA-O 3.44Å; G153-M233 PolarHBondContact O-N 3.48Å; G153-M233 VanDerWaalsContact O-N 3.12Å
154S95.6Very high95.7Very high28 Ų2859.6 Ų59.620%0.19629%0.292CS..  trans-122.791.7177.1-169.80000109.4K156 T228 F229 A231S154-K156 WeakPolarHBondContact O-CG 3.36Å; S154-K156 PolarHBondContact O-N 3.2Å; S154-K156 WeakPolarHBondContact OG-CE 3.41Å; S154-K156 PolarHBondContact OG-NZ 3.39Å; S154-K156 VanDerWaalsContact OG-NZ 3.1Å; S154-T228 PolarHBondContact N-O 3.27Å; S154-F229 WeakPolarHBondContact O-CA 3.44Å; S154-F229 WeakPolarHBondContact O-CD1 3.33Å; S154-A231 PolarHBondContact N-O 3.49Å
155Y96.3Very high95.5Very high111 Ų11152.7 Ų52.744%0.43526%0.263SS..  trans-52.6124.5179179-90.3000111.4E157 F229Y155-E157 WeakPolarHBondContact CE1-OE1 3.34Å; Y155-E157 PolarHBondContact OH-OE2 3.44Å; Y155-F229 CarbonylContact C-O 3.42Å; Y155-F229 WeakPolarHBondContact CA-O 3.48Å
156K95.7Very high95.2Very high40 Ų4054 Ų5417%0.17427%0.27CS..  trans-120140.6172.7-52-55.3177-178.60107.9S154 F164 F165 F229S154-K156 WeakPolarHBondContact O-CG 3.36Å; S154-K156 PolarHBondContact O-N 3.2Å; S154-K156 WeakPolarHBondContact OG-CE 3.41Å; S154-K156 PolarHBondContact OG-NZ 3.39Å; S154-K156 VanDerWaalsContact OG-NZ 3.1Å; K156-F164 HydrophobicContact CB-CB 4.5Å; K156-F164 HydrophobicContact CB-CD2 4.25Å; K156-F164 HydrophobicContact CB-CG 4.45Å; K156-F164 HydrophobicContact CD-CD1 4.11Å; K156-F164 HydrophobicContact CD-CD2 3.71Å; K156-F164 HydrophobicContact CD-CE1 4.04Å; K156-F164 HydrophobicContact CD-CE2 3.65Å; K156-F164 HydrophobicContact CD-CG 3.95Å; K156-F164 HydrophobicContact CD-CZ 3.82Å; K156-F164 VanDerWaalsContact CE-CE1 3.41Å; K156-F164 HydrophobicContact CG-CB 4.09Å; K156-F164 HydrophobicContact CG-CD1 4.18Å; K156-F164 HydrophobicContact CG-CD2 3.85Å; K156-F164 HydrophobicContact CG-CE2 4.32Å; K156-F164 HydrophobicContact CG-CG 3.78Å; K156-F165 HydrophobicContact CB-CE2 3.83Å; K156-F165 HydrophobicContact CB-CZ 4.02Å; K156-F229 HydrophobicContact CG-CB 4.11Å; K156-F229 HydrophobicContact CG-CD1 4.01Å; K156-F229 HydrophobicContact CG-CD2 4.44Å; K156-F229 HydrophobicContact CG-CE1 4.42Å; K156-F229 HydrophobicContact CG-CG 3.98Å; K156-F229 PolarHBondContact N-O 2.86Å
157E94.4Very high94.8Very high125 Ų12551.8 Ų51.858%0.58427%0.265SS*.  trans-59.2132.2172.9-68.5-60156.300110.2Y155 D159 N162 F165Y155-E157 WeakPolarHBondContact CE1-OE1 3.34Å; Y155-E157 PolarHBondContact OH-OE2 3.44Å; E157-D159 PolarHBondContact O-N 2.81Å; E157-N162 PolarHBondContact O-ND2 2.99Å; E157-F165 VanDerWaalsContact O-CE2 3.27Å; E157-F165 WeakPolarHBondContact O-CE2 3.35Å
158P93.9Very high94.3Very high68 Ų6853.5 Ų53.544%0.44228%0.276SS..  trans-74.666.8-17332.1-37.1000112.3F203P158-F203 HydrophobicContact CB-CE2 3.76Å; P158-F203 HydrophobicContact CB-CZ 4.05Å
159D94.3Very high93.7Very high66 Ų6657.1 Ų57.135%0.35330%0.295SS..  trans-109.6112.7177.9177.3-1.7000110.4E157 T161 N162E157-D159 PolarHBondContact O-N 2.81Å; D159-T161 PolarHBondContact O-N 2.87Å; D159-T161 VanDerWaalsContact O-N 3.09Å; D159-T161 WeakPolarHBondContact OD1-CB 3.46Å; D159-T161 PolarHBondContact OD1-N 3.25Å; D159-T161 PolarHBondContact OD1-OG1 2.85Å; D159-T161 PolarHBondContact OD2-OG1 3.04Å; D159-T161 VanDerWaalsContact OD2-OG1 3.08Å; D159-N162 HydrophobicContact CB-CB 4.23Å; D159-N162 PolarHBondContact O-N 2.93Å; D159-N162 VanDerWaalsContact O-N 3.08Å; D159-N162 PolarHBondContact O-ND2 2.93Å; D159-N162 PolarHBondContact O-OD1 2.77Å
160P91.8Very high93.1Very high62 Ų6253.9 Ų53.940%0.40328%0.282SS..THydrogen-bonded Turntrans-62.6-17.2-179.227.5-35.6000113.8F203 T205P160-F203 HydrophobicContact CB-CE1 4.05Å; P160-T205 HydrophobicContact CB-CG2 3.37Å
161T90Very high92.8Very high103 Ų10354.4 Ų54.463%0.63229%0.288SS*.THydrogen-bonded Turntrans-85.7-17.517973.20000112.8D159D159-T161 PolarHBondContact O-N 2.87Å; D159-T161 VanDerWaalsContact O-N 3.09Å; D159-T161 WeakPolarHBondContact OD1-CB 3.46Å; D159-T161 PolarHBondContact OD1-N 3.25Å; D159-T161 PolarHBondContact OD1-OG1 2.85Å; D159-T161 PolarHBondContact OD2-OG1 3.04Å; D159-T161 VanDerWaalsContact OD2-OG1 3.08Å
162N90.2Very high92.6Very high31 Ų3153.4 Ų53.417%0.16628%0.282CS..SBendtrans-71.1157.2-179.683.224.9000111.4E157 D159 F164 F165 N166E157-N162 PolarHBondContact O-ND2 2.99Å; D159-N162 HydrophobicContact CB-CB 4.23Å; D159-N162 PolarHBondContact O-N 2.93Å; D159-N162 VanDerWaalsContact O-N 3.08Å; D159-N162 PolarHBondContact O-ND2 2.93Å; D159-N162 PolarHBondContact O-OD1 2.77Å; N162-F164 PolarHBondContact O-N 3.23Å; N162-F164 VanDerWaalsContact O-N 3.12Å; N162-F164 WeakPolarHBondContact OD1-CA 3.31Å; N162-F164 WeakPolarHBondContact OD1-CB 3.29Å; N162-F164 PolarHBondContact OD1-N 3.27Å; N162-F165 WeakPolarHBondContact ND2-CD2 3.43Å; N162-F165 PolarHBondContact O-N 2.75Å; N162-F165 WeakPolarHBondContact OD1-CD2 3.19Å; N162-F165 PolarHBondContact OD1-N 3.01Å; N162-N166 WeakPolarHBondContact O-CB 3.38Å; N162-N166 PolarHBondContact O-N 3.03Å
163R91.3Very high92.6Very high132 Ų13253 Ų5350%0.49828%0.28SS..THydrogen-bonded Turntrans-62.6-22.1-176.672.7170.1-171.781.3-6.7114.8L169 G171 D176R163-L169 HydrophobicContact CB-CD1 3.98Å; R163-G171 WeakPolarHBondContact O-CA 3.06Å; R163-D176 IonicContact CZ-OD1 3.99Å; R163-D176 IonicContact NH1-OD1 2.68Å; R163-D176 PolarHBondContact NH1-OD1 3.43Å; R163-D176 IonicContact NH2-OD1 3.2Å
164F93.5Very high92.6Very high33 Ų3352.9 Ų52.915%0.14528%0.279CS..THydrogen-bonded Turntrans-78.9-30.9-177.9-59.2-74.7000111.7K156 N162 G171 G172 F229K156-F164 HydrophobicContact CB-CB 4.5Å; K156-F164 HydrophobicContact CB-CD2 4.25Å; K156-F164 HydrophobicContact CB-CG 4.45Å; K156-F164 HydrophobicContact CD-CD1 4.11Å; K156-F164 HydrophobicContact CD-CD2 3.71Å; K156-F164 HydrophobicContact CD-CE1 4.04Å; K156-F164 HydrophobicContact CD-CE2 3.65Å; K156-F164 HydrophobicContact CD-CG 3.95Å; K156-F164 HydrophobicContact CD-CZ 3.82Å; K156-F164 VanDerWaalsContact CE-CE1 3.41Å; K156-F164 HydrophobicContact CG-CB 4.09Å; K156-F164 HydrophobicContact CG-CD1 4.18Å; K156-F164 HydrophobicContact CG-CD2 3.85Å; K156-F164 HydrophobicContact CG-CE2 4.32Å; K156-F164 HydrophobicContact CG-CG 3.78Å; N162-F164 PolarHBondContact O-N 3.23Å; N162-F164 VanDerWaalsContact O-N 3.12Å; N162-F164 WeakPolarHBondContact OD1-CA 3.31Å; N162-F164 WeakPolarHBondContact OD1-CB 3.29Å; N162-F164 PolarHBondContact OD1-N 3.27Å; F164-G171 CarbonylContact O-C 3.22Å; F164-G171 VanDerWaalsContact O-CA 3.29Å; F164-G171 WeakPolarHBondContact O-CA 3.12Å; F164-G172 PolarHBondContact O-N 2.75Å; F164-F229 HydrophobicContact CB-CD2 4.15Å; F164-F229 HydrophobicContact CB-CE2 3.83Å; F164-F229 HydrophobicContact CB-CZ 4.44Å; F164-F229 HydrophobicContact CD1-CE1 4.46Å; F164-F229 AromaticContact CD1-CE2 3.97Å; F164-F229 HydrophobicContact CD1-CE2 3.97Å; F164-F229 AromaticContact CD1-CZ 3.73Å; F164-F229 HydrophobicContact CD1-CZ 3.73Å; F164-F229 HydrophobicContact CE1-CZ 4.49Å; F164-F229 HydrophobicContact CG-CE2 4.34Å; F164-F229 HydrophobicContact CG-CZ 4.48Å
165F95.1Very high92.5Very high0 Ų052.2 Ų52.20%027%0.273CS..THydrogen-bonded Turntrans-108.4-3.5-179.2-61.7-56000113.5K156 E157 N162 P167 F203 T205 V207 E209 F229 Q230K156-F165 HydrophobicContact CB-CE2 3.83Å; K156-F165 HydrophobicContact CB-CZ 4.02Å; E157-F165 VanDerWaalsContact O-CE2 3.27Å; E157-F165 WeakPolarHBondContact O-CE2 3.35Å; N162-F165 WeakPolarHBondContact ND2-CD2 3.43Å; N162-F165 PolarHBondContact O-N 2.75Å; N162-F165 WeakPolarHBondContact OD1-CD2 3.19Å; N162-F165 PolarHBondContact OD1-N 3.01Å; F165-P167 WeakPolarHBondContact O-CD 3.28Å; F165-F203 HydrophobicContact CB-CD1 3.56Å; F165-F203 HydrophobicContact CB-CE1 3.66Å; F165-F203 HydrophobicContact CB-CG 4.24Å; F165-F203 HydrophobicContact CB-CZ 4.43Å; F165-F203 HydrophobicContact CD1-CB 3.74Å; F165-F203 AromaticContact CD1-CD1 3.65Å; F165-F203 HydrophobicContact CD1-CD1 3.65Å; F165-F203 AromaticContact CD1-CD2 3.72Å; F165-F203 HydrophobicContact CD1-CD2 3.72Å; F165-F203 HydrophobicContact CD1-CE1 4.18Å; F165-F203 HydrophobicContact CD1-CE2 4.25Å; F165-F203 AromaticContact CD1-CG 3.4Å; F165-F203 HydrophobicContact CD1-CG 3.4Å; F165-F203 HydrophobicContact CD1-CZ 4.46Å; F165-F203 HydrophobicContact CD2-CD1 4.47Å; F165-F203 HydrophobicContact CD2-CE1 4.19Å; F165-F203 HydrophobicContact CD2-CE2 4.31Å; F165-F203 HydrophobicContact CD2-CZ 4.11Å; F165-F203 HydrophobicContact CE1-CB 4.16Å; F165-F203 HydrophobicContact CE1-CD1 4.49Å; F165-F203 AromaticContact CE1-CD2 3.74Å; F165-F203 HydrophobicContact CE1-CD2 3.74Å; F165-F203 HydrophobicContact CE1-CE2 4.28Å; F165-F203 AromaticContact CE1-CG 3.87Å; F165-F203 HydrophobicContact CE1-CG 3.87Å; F165-F203 HydrophobicContact CE2-CE2 4.35Å; F165-F203 AromaticContact CG-CD1 3.64Å; F165-F203 HydrophobicContact CG-CD1 3.64Å; F165-F203 HydrophobicContact CG-CD2 4.16Å; F165-F203 AromaticContact CG-CE1 3.75Å; F165-F203 HydrophobicContact CG-CE1 3.75Å; F165-F203 HydrophobicContact CG-CE2 4.28Å; F165-F203 AromaticContact CG-CG 3.86Å; F165-F203 HydrophobicContact CG-CG 3.86Å; F165-F203 HydrophobicContact CG-CZ 4.08Å; F165-F203 HydrophobicContact CZ-CD2 4.2Å; F165-F203 HydrophobicContact CZ-CE2 4.33Å; F165-T205 VanDerWaalsContact O-CB 3.26Å; F165-T205 WeakPolarHBondContact O-CB 3.49Å; F165-T205 WeakPolarHBondContact O-CG2 3.4Å; F165-T205 PolarHBondContact O-OG1 3.43Å; F165-V207 HydrophobicContact CD1-CG2 4.18Å; F165-E209 HydrophobicContact CE1-CG 4.39Å; F165-F229 HydrophobicContact CE1-CB 3.9Å; F165-F229 HydrophobicContact CE1-CD2 4.1Å; F165-F229 HydrophobicContact CZ-CB 3.83Å; F165-Q230 HydrophobicContact CZ-CG 4.44Å
166N91.6Very high92.4Very high36 Ų3648.3 Ų48.319%0.19326%0.26CS..  trans-84.6113.4178.5-173.3-24.3000111.6N162 D168 L169 G171N162-N166 WeakPolarHBondContact O-CB 3.38Å; N162-N166 PolarHBondContact O-N 3.03Å; N166-D168 VanDerWaalsContact C-N 3.29Å; N166-D168 PolarHBondContact O-N 2.88Å; N166-D168 WeakPolarHBondContact OD1-CB 3.19Å; N166-D168 PolarHBondContact OD1-N 3.08Å; N166-L169 HydrophobicContact CB-CB 4.48Å; N166-L169 HydrophobicContact CB-CD1 4.28Å; N166-L169 HydrophobicContact CB-CG 4.41Å; N166-L169 PolarHBondContact O-N 3.47Å; N166-G171 PolarHBondContact O-N 2.71Å
167P90.8Very high92.4Very high51 Ų5146.7 Ų46.733%0.33125%0.253SS..G310 helixtrans-62.8-32.6-179.924.8-33.3000112.9R75 F165 L169 A170 V207R75-P167 PolarHBondContact NH2-O 3.14Å; F165-P167 WeakPolarHBondContact O-CD 3.28Å; P167-L169 PolarHBondContact O-N 2.85Å; P167-A170 PolarHBondContact O-N 2.96Å; P167-V207 HydrophobicContact CB-CG1 3.77Å
168D87.5Confident92.5Very high118 Ų11840.7 Ų40.763%0.63123%0.225SC*.G310 helixtrans-64.8-22.5-179-68.7-30.1000113R75 N166R75-D168 WeakPolarHBondContact CD-O 3.33Å; R75-D168 PolarHBondContact NE-O 2.67Å; R75-D168 PolarHBondContact NH1-O 2.83Å; N166-D168 VanDerWaalsContact C-N 3.29Å; N166-D168 PolarHBondContact O-N 2.88Å; N166-D168 WeakPolarHBondContact OD1-CB 3.19Å; N166-D168 PolarHBondContact OD1-N 3.08Å
169L84.8Confident92.7Very high78 Ų7837.5 Ų37.541%0.40820%0.204SC..G310 helixtrans-98.411.2176.9-60.2178.6000113R163 N166 P167 G171R163-L169 HydrophobicContact CB-CD1 3.98Å; N166-L169 HydrophobicContact CB-CB 4.48Å; N166-L169 HydrophobicContact CB-CD1 4.28Å; N166-L169 HydrophobicContact CB-CG 4.41Å; N166-L169 PolarHBondContact O-N 3.47Å; P167-L169 PolarHBondContact O-N 2.85Å; L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 3.35Å
170A87.5Confident92.9Very high14 Ų1435.3 Ų35.312%0.11619%0.191CC..THydrogen-bonded Turntrans55.640.8-170.100000113R75 M99 P167 L175R75-A170 HydrophobicContact CG-CB 3.78Å; M99-A170 HydrophobicContact CE-CB 3.74Å; M99-A170 HydrophobicContact SD-CB 3.9Å; P167-A170 PolarHBondContact O-N 2.96Å; A170-L175 HydrophobicContact CB-CD1 4.38Å
171G90.7Very high93.2Very high13 Ų1332.4 Ų32.413%0.13417%0.172CC..  trans-57.5166.9167.100000112.2R163 F164 N166 L169 V207R163-G171 WeakPolarHBondContact O-CA 3.06Å; F164-G171 CarbonylContact O-C 3.22Å; F164-G171 VanDerWaalsContact O-CA 3.29Å; F164-G171 WeakPolarHBondContact O-CA 3.12Å; N166-G171 PolarHBondContact O-N 2.71Å; L169-G171 VanDerWaalsContact C-N 3.27Å; L169-G171 PolarHBondContact O-N 3.35Å; G171-V207 WeakPolarHBondContact O-CG1 3.45Å
172G95.3Very high93.6Very high2 Ų227.5 Ų27.52%0.02114%0.142CC..SBendtrans124148.8-172.600000112F164 L174 D208 F229F164-G172 PolarHBondContact O-N 2.75Å; G172-L174 VanDerWaalsContact C-N 3.28Å; G172-L174 PolarHBondContact O-N 2.98Å; G172-D208 WeakPolarHBondContact CA-O 3.42Å; G172-D208 VanDerWaalsContact CA-OD1 3.25Å; G172-D208 WeakPolarHBondContact CA-OD1 3.28Å; G172-F229 VanDerWaalsContact O-CE2 3.29Å; G172-F229 WeakPolarHBondContact O-CE2 3.37Å
173A97Very high94Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-65.5-32.6-18000000112.1I177 G178 D208 L227 F229A173-I177 HydrophobicContact CB-CD1 4.25Å; A173-I177 HydrophobicContact CB-CG1 4.09Å; A173-I177 WeakPolarHBondContact O-CG1 3.31Å; A173-I177 PolarHBondContact O-N 3.02Å; A173-G178 PolarHBondContact O-N 3.05Å; A173-D208 WeakPolarHBondContact CA-OD2 3.29Å; A173-D208 WeakPolarHBondContact CB-OD2 3.28Å; A173-D208 PolarHBondContact N-O 3.45Å; A173-D208 PolarHBondContact N-OD2 3.31Å; A173-L227 HydrophobicContact CB-CB 4.12Å; A173-F229 VanDerWaalsContact CA-CE2 3.46Å; A173-F229 HydrophobicContact CB-CD1 4.13Å; A173-F229 HydrophobicContact CB-CD2 3.98Å; A173-F229 HydrophobicContact CB-CE1 4.29Å; A173-F229 HydrophobicContact CB-CE2 4.14Å; A173-F229 HydrophobicContact CB-CG 4.01Å; A173-F229 HydrophobicContact CB-CZ 4.32Å
174L96.7Very high94.3Very high0 Ų019.7 Ų19.70%011%0.11CC..Iπ-helixtrans-61.4-53.6-172.3-174.264.4000113G172 G178 T179 D208 L227 L308 M311 Q312 W315G172-L174 VanDerWaalsContact C-N 3.28Å; G172-L174 PolarHBondContact O-N 2.98Å; L174-G178 CarbonylContact O-C 3.52Å; L174-G178 WeakPolarHBondContact O-CA 3.31Å; L174-G178 PolarHBondContact O-N 3.35Å; L174-G178 VanDerWaalsContact O-N 3.08Å; L174-T179 PolarHBondContact O-N 2.92Å; L174-D208 WeakPolarHBondContact CB-OD2 3.46Å; L174-D208 PolarHBondContact N-OD2 2.87Å; L174-L227 HydrophobicContact CD1-CD1 4.07Å; L174-L308 HydrophobicContact CD1-CD2 3.44Å; L174-L308 VanDerWaalsContact CD1-CD2 3.44Å; L174-L308 HydrophobicContact CG-CD2 3.93Å; L174-M311 HydrophobicContact CD1-CE 3.31Å; L174-M311 HydrophobicContact CD1-SD 3.88Å; L174-Q312 HydrophobicContact CD2-CG 3.43Å; L174-Q312 VanDerWaalsContact CD2-CG 3.43Å; L174-W315 HydrophobicContact CB-CH2 3.94Å; L174-W315 HydrophobicContact CB-CZ3 4.16Å; L174-W315 HydrophobicContact CD1-CH2 3.94Å; L174-W315 HydrophobicContact CD2-CH2 3.71Å; L174-W315 HydrophobicContact CD2-CZ3 3.67Å; L174-W315 HydrophobicContact CG-CH2 4.08Å; L174-W315 HydrophobicContact CG-CZ3 4.39Å
175L93.5Very high94.5Very high13 Ų1318.1 Ų18.17%0.06810%0.103CC..Iπ-helixtrans-82.9-15.9-174.9-64.4179.5000113.2A96 M99 A170 L308A96-L175 HydrophobicContact CB-CD2 4.21Å; M99-L175 HydrophobicContact CE-CD1 3.39Å; M99-L175 HydrophobicContact SD-CD1 3.92Å; A170-L175 HydrophobicContact CB-CD1 4.38Å; L175-L308 HydrophobicContact CD2-CD1 4.29Å
176D94.3Very high94.7Very high30 Ų3018.5 Ų18.516%0.1611%0.105CC..Iπ-helixtrans-92.9-58.7177-172.391.9000111.5K95 R163 F229K95-D176 PolarHBondContact NZ-O 3.41Å; R163-D176 IonicContact CZ-OD1 3.99Å; R163-D176 IonicContact NH1-OD1 2.68Å; R163-D176 PolarHBondContact NH1-OD1 3.43Å; R163-D176 IonicContact NH2-OD1 3.2Å; D176-F229 HydrophobicContact CB-CZ 3.71Å
177I96Very high95Very high5 Ų517.9 Ų17.93%0.02610%0.1CC..Iπ-helixtrans-106.6-26.2-178.159.9170.4000113.7F152 A173 T179 Y180 A181 L227 F229F152-I177 HydrophobicContact CB-CB 4.45Å; F152-I177 HydrophobicContact CB-CD1 4.15Å; F152-I177 HydrophobicContact CD1-CB 3.79Å; F152-I177 HydrophobicContact CD1-CG2 4.43Å; F152-I177 WeakPolarHBondContact CD1-O 3.16Å; F152-I177 HydrophobicContact CD2-CB 3.9Å; F152-I177 HydrophobicContact CD2-CD1 3.9Å; F152-I177 HydrophobicContact CD2-CG1 4.47Å; F152-I177 HydrophobicContact CD2-CG2 4.03Å; F152-I177 HydrophobicContact CE1-CB 3.9Å; F152-I177 HydrophobicContact CE1-CG2 4.11Å; F152-I177 HydrophobicContact CE2-CB 4Å; F152-I177 HydrophobicContact CE2-CG2 3.67Å; F152-I177 HydrophobicContact CG-CB 3.81Å; F152-I177 HydrophobicContact CG-CD1 4.11Å; F152-I177 HydrophobicContact CG-CG1 4.38Å; F152-I177 HydrophobicContact CG-CG2 4.41Å; F152-I177 HydrophobicContact CZ-CB 4.01Å; F152-I177 HydrophobicContact CZ-CG2 3.72Å; F152-I177 VanDerWaalsContact O-CD1 3.23Å; F152-I177 WeakPolarHBondContact O-CD1 3.11Å; A173-I177 HydrophobicContact CB-CD1 4.25Å; A173-I177 HydrophobicContact CB-CG1 4.09Å; A173-I177 WeakPolarHBondContact O-CG1 3.31Å; A173-I177 PolarHBondContact O-N 3.02Å; I177-T179 VanDerWaalsContact C-N 3.34Å; I177-T179 PolarHBondContact O-N 2.66Å; I177-Y180 PolarHBondContact O-N 3.4Å; I177-A181 PolarHBondContact O-N 3.46Å; I177-L227 HydrophobicContact CG1-CD2 4.46Å; I177-F229 HydrophobicContact CB-CE1 4.43Å; I177-F229 HydrophobicContact CD1-CD1 3.8Å; I177-F229 HydrophobicContact CD1-CE1 3.67Å; I177-F229 HydrophobicContact CG1-CD1 4.32Å; I177-F229 HydrophobicContact CG1-CE1 3.74Å; I177-F229 HydrophobicContact CG1-CZ 4.41Å; I177-F229 HydrophobicContact CG2-CE1 3.9Å
178G97.1Very high95.3Very high0 Ų015.5 Ų15.50%08%0.084CC..Iπ-helixtrans-63.8-37.2-179.600000113.3A173 L174 Y180 A181 V182A173-G178 PolarHBondContact O-N 3.05Å; L174-G178 CarbonylContact O-C 3.52Å; L174-G178 WeakPolarHBondContact O-CA 3.31Å; L174-G178 PolarHBondContact O-N 3.35Å; L174-G178 VanDerWaalsContact O-N 3.08Å; G178-Y180 VanDerWaalsContact C-N 3.25Å; G178-Y180 PolarHBondContact O-N 2.94Å; G178-A181 PolarHBondContact O-N 2.71Å; G178-V182 WeakPolarHBondContact O-CG2 3.35Å; G178-V182 PolarHBondContact O-N 3.15Å
179T97Very high95.8Very high0 Ų010.2 Ų10.20%06%0.056CC..Hα-helixtrans-53.5-41.8173.4-176.30000112K95 M122 L174 I177 S183K95-T179 HydrophobicContact CB-CG2 4.44Å; K95-T179 HydrophobicContact CD-CG2 3.92Å; K95-T179 HydrophobicContact CG-CG2 4.35Å; M122-T179 HydrophobicContact CE-CG2 4.12Å; M122-T179 WeakPolarHBondContact CE-OG1 3.44Å; L174-T179 PolarHBondContact O-N 2.92Å; I177-T179 VanDerWaalsContact C-N 3.34Å; I177-T179 PolarHBondContact O-N 2.66Å; T179-S183 WeakPolarHBondContact O-CB 3.41Å; T179-S183 PolarHBondContact O-N 3.34Å; T179-S183 PolarHBondContact O-OG 2.91Å
180Y98.1Very high96.3Very high21 Ų2110.9 Ų10.98%0.0826%0.063CC..Hα-helixtrans-66.6-44.1174.8-70.7-63.8000112.6K95 M122 T123 I124 F152 I177 G178 S183 F184 P252K95-Y180 HydrophobicContact CD-CE2 4.47Å; K95-Y180 WeakPolarHBondContact CE-OH 3.47Å; M122-Y180 HydrophobicContact CE-CD1 4.5Å; M122-Y180 HydrophobicContact SD-CD1 3.62Å; M122-Y180 HydrophobicContact SD-CE1 3.8Å; T123-Y180 WeakPolarHBondContact OG1-CE1 3.29Å; I124-Y180 HydrophobicContact CD1-CD1 4.06Å; I124-Y180 WeakPolarHBondContact CD1-O 3.4Å; I124-Y180 HydrophobicContact CG1-CD1 4.35Å; F152-Y180 AromaticContact CE1-CD2 3.84Å; F152-Y180 HydrophobicContact CE1-CD2 3.84Å; F152-Y180 HydrophobicContact CE1-CG 4.19Å; I177-Y180 PolarHBondContact O-N 3.4Å; G178-Y180 VanDerWaalsContact C-N 3.25Å; G178-Y180 PolarHBondContact O-N 2.94Å; Y180-S183 PolarHBondContact O-N 3.02Å; Y180-F184 VanDerWaalsContact O-CB 3.32Å; Y180-F184 WeakPolarHBondContact O-CB 3.24Å; Y180-F184 PolarHBondContact O-N 3.11Å; Y180-P252 HydrophobicContact CD1-CB 3.82Å; Y180-P252 HydrophobicContact CD2-CB 4.25Å; Y180-P252 HydrophobicContact CD2-CG 4.44Å; Y180-P252 HydrophobicContact CE1-CB 4.12Å; Y180-P252 HydrophobicContact CE2-CB 4.47Å; Y180-P252 HydrophobicContact CG-CB 3.91Å; Y180-P252 HydrophobicContact CG-CG 4.14Å
181A98.3Very high96.8Very high0 Ų012.7 Ų12.70%07%0.069CC..Hα-helixtrans-65.5-39.5-178.500000112.4A150 F152 I177 G178 A185 V225 L227 Y251A150-A181 HydrophobicContact CB-CB 4.2Å; F152-A181 HydrophobicContact CB-CB 4.47Å; I177-A181 PolarHBondContact O-N 3.46Å; G178-A181 PolarHBondContact O-N 2.71Å; A181-A185 PolarHBondContact O-N 2.84Å; A181-A185 VanDerWaalsContact O-N 3.08Å; A181-V225 HydrophobicContact CB-CG1 3.71Å; A181-L227 HydrophobicContact CB-CD2 3.77Å; A181-Y251 VanDerWaalsContact CA-OH 3.28Å; A181-Y251 WeakPolarHBondContact CA-OH 3.41Å; A181-Y251 WeakPolarHBondContact CB-OH 3.12Å
182V98.5Very high97.1Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-72.9-41.6176.7179.20000110.7G178 F184 A185 R186 V225 V304 I307 L308 M311G178-V182 WeakPolarHBondContact O-CG2 3.35Å; G178-V182 PolarHBondContact O-N 3.15Å; V182-F184 VanDerWaalsContact C-N 3.32Å; V182-F184 PolarHBondContact O-N 3Å; V182-A185 PolarHBondContact O-N 3.42Å; V182-R186 VanDerWaalsContact O-CB 3.32Å; V182-R186 WeakPolarHBondContact O-CB 3.41Å; V182-R186 PolarHBondContact O-N 3.32Å; V182-V225 HydrophobicContact CG2-CG1 4.25Å; V182-V225 HydrophobicContact CG2-CG2 4.31Å; V182-V304 HydrophobicContact CB-CG1 4.22Å; V182-V304 HydrophobicContact CG1-CB 4.34Å; V182-V304 HydrophobicContact CG1-CG1 3.94Å; V182-V304 HydrophobicContact CG1-CG2 4.23Å; V182-I307 HydrophobicContact CG1-CB 3.82Å; V182-I307 HydrophobicContact CG1-CD1 3.93Å; V182-I307 HydrophobicContact CG1-CG2 3.6Å; V182-I307 HydrophobicContact CG2-CG2 4.43Å; V182-L308 HydrophobicContact CB-CD2 4.21Å; V182-L308 HydrophobicContact CG2-CD2 3.77Å; V182-M311 HydrophobicContact CG2-SD 4.01Å
183S98.5Very high97.2Very high0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-58.6-43172.4-700000112.2F125 T179 Y180 R186 W187F125-S183 WeakPolarHBondContact CZ-OG 3.41Å; T179-S183 WeakPolarHBondContact O-CB 3.41Å; T179-S183 PolarHBondContact O-N 3.34Å; T179-S183 PolarHBondContact O-OG 2.91Å; Y180-S183 PolarHBondContact O-N 3.02Å; S183-R186 PolarHBondContact O-N 3.18Å; S183-W187 VanDerWaalsContact O-CB 3.28Å; S183-W187 WeakPolarHBondContact O-CB 3.35Å; S183-W187 PolarHBondContact O-N 2.83Å
184F98.5Very high97.3Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-58.1-52.7173.9179.9-92.2000111.3I124 Y130 I148 A150 Y180 V182 R186 W187 F188 G237 V239 I248 Y251I124-F184 HydrophobicContact CD1-CB 4Å; Y130-F184 HydrophobicContact CE1-CD2 4Å; Y130-F184 HydrophobicContact CE1-CE2 4.06Å; Y130-F184 WeakPolarHBondContact OH-CD2 3.39Å; I148-F184 HydrophobicContact CG2-CD1 4.05Å; I148-F184 HydrophobicContact CG2-CE1 3.82Å; A150-F184 HydrophobicContact CB-CD1 3.92Å; Y180-F184 VanDerWaalsContact O-CB 3.32Å; Y180-F184 WeakPolarHBondContact O-CB 3.24Å; Y180-F184 PolarHBondContact O-N 3.11Å; V182-F184 VanDerWaalsContact C-N 3.32Å; V182-F184 PolarHBondContact O-N 3Å; F184-R186 PolarHBondContact O-N 3.23Å; F184-W187 PolarHBondContact O-N 2.87Å; F184-F188 HydrophobicContact CD1-CD2 4.4Å; F184-F188 HydrophobicContact CD1-CE2 4.48Å; F184-F188 HydrophobicContact CD2-CD2 4.49Å; F184-F188 AromaticContact CD2-CE2 3.86Å; F184-F188 HydrophobicContact CD2-CE2 3.86Å; F184-F188 HydrophobicContact CE1-CD2 4.17Å; F184-F188 HydrophobicContact CE1-CE2 4.13Å; F184-F188 HydrophobicContact CE2-CD2 4.29Å; F184-F188 AromaticContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CE2 3.49Å; F184-F188 VanDerWaalsContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CZ 4.37Å; F184-F188 HydrophobicContact CG-CE2 4.36Å; F184-F188 HydrophobicContact CZ-CD2 4.1Å; F184-F188 AromaticContact CZ-CE2 3.61Å; F184-F188 HydrophobicContact CZ-CE2 3.61Å; F184-F188 WeakPolarHBondContact O-CD2 3.47Å; F184-G237 VanDerWaalsContact CZ-CA 3.47Å; F184-V239 HydrophobicContact CE1-CG2 3.87Å; F184-V239 HydrophobicContact CZ-CG2 3.68Å; F184-I248 HydrophobicContact CE2-CB 4.14Å; F184-I248 HydrophobicContact CE2-CD1 3.63Å; F184-I248 HydrophobicContact CE2-CG1 4.43Å; F184-I248 HydrophobicContact CE2-CG2 4.44Å; F184-I248 HydrophobicContact CZ-CB 4.46Å; F184-I248 HydrophobicContact CZ-CD1 3.88Å; F184-Y251 HydrophobicContact CB-CD2 3.75Å; F184-Y251 HydrophobicContact CB-CE2 3.8Å; F184-Y251 AromaticContact CD2-CD2 3.58Å; F184-Y251 HydrophobicContact CD2-CD2 3.58Å; F184-Y251 HydrophobicContact CD2-CE2 4.4Å; F184-Y251 AromaticContact CD2-CG 3.71Å; F184-Y251 HydrophobicContact CD2-CG 3.71Å; F184-Y251 HydrophobicContact CE2-CD2 4.36Å; F184-Y251 HydrophobicContact CE2-CG 4.03Å; F184-Y251 AromaticContact CG-CD2 3.81Å; F184-Y251 HydrophobicContact CG-CD2 3.81Å; F184-Y251 HydrophobicContact CG-CE2 4.2Å; F184-Y251 HydrophobicContact CG-CG 4.18Å
185A98.5Very high97.4Very high0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-60.5-48.9179.500000111.5I148 A181 V182 W187 F188 M189 L215 A223 V225I148-A185 WeakPolarHBondContact CD1-O 3.23Å; I148-A185 HydrophobicContact CG2-CB 4.32Å; A181-A185 PolarHBondContact O-N 2.84Å; A181-A185 VanDerWaalsContact O-N 3.08Å; V182-A185 PolarHBondContact O-N 3.42Å; A185-W187 VanDerWaalsContact C-N 3.32Å; A185-W187 PolarHBondContact O-N 3.16Å; A185-F188 PolarHBondContact O-N 3.42Å; A185-M189 WeakPolarHBondContact O-CG 3.47Å; A185-M189 PolarHBondContact O-N 3.46Å; A185-L215 HydrophobicContact CB-CD1 4.31Å; A185-A223 HydrophobicContact CB-CB 4.02Å; A185-V225 HydrophobicContact CB-CG2 4.44Å
186R97.9Very high97.6Very high8 Ų821.8 Ų21.83%0.0312%0.118CC..Hα-helixtrans-63.5-36.4-177.2-179.261.9-159.6104.7-6.9112.6V182 S183 F184 F188 M189 E191 F300 D303 V304 I307V182-R186 VanDerWaalsContact O-CB 3.32Å; V182-R186 WeakPolarHBondContact O-CB 3.41Å; V182-R186 PolarHBondContact O-N 3.32Å; S183-R186 PolarHBondContact O-N 3.18Å; F184-R186 PolarHBondContact O-N 3.23Å; R186-F188 VanDerWaalsContact C-N 3.26Å; R186-F188 PolarHBondContact O-N 2.84Å; R186-M189 PolarHBondContact NH1-O 2.97Å; R186-M189 PolarHBondContact O-N 3.08Å; R186-E191 PolarHBondContact NH1-O 3.06Å; R186-F300 HydrophobicContact CG-CD1 4.11Å; R186-D303 HydrophobicContact CG-CB 3.96Å; R186-D303 IonicContact CZ-OD2 3.36Å; R186-D303 VanDerWaalsContact CZ-OD2 3.26Å; R186-D303 IonicContact NE-OD2 3.33Å; R186-D303 PolarHBondContact NE-OD2 3.28Å; R186-D303 IonicContact NH2-OD2 2.82Å; R186-D303 PolarHBondContact NH2-OD2 2.91Å; R186-V304 HydrophobicContact CB-CG2 4.03Å; R186-V304 HydrophobicContact CG-CG2 4.29Å; R186-I307 HydrophobicContact CB-CD1 4.5Å
187W97.5Very high97.7Very high22 Ų2222.5 Ų22.58%0.08313%0.128CC..Hα-helixtrans-56.9-39.1178.3-178-98.7000112.7I124 F125 Y130 H134 S183 F184 A185 F300I124-W187 HydrophobicContact CG2-CB 4.46Å; F125-W187 HydrophobicContact CB-CZ3 4.23Å; F125-W187 HydrophobicContact CD1-CD2 4.37Å; F125-W187 AromaticContact CD1-CE3 3.45Å; F125-W187 HydrophobicContact CD1-CE3 3.45Å; F125-W187 VanDerWaalsContact CD1-CE3 3.45Å; F125-W187 AromaticContact CD1-CZ3 3.84Å; F125-W187 HydrophobicContact CD1-CZ3 3.84Å; F125-W187 AromaticContact CE1-CE3 3.97Å; F125-W187 HydrophobicContact CE1-CE3 3.97Å; F125-W187 HydrophobicContact CG-CE3 4.39Å; F125-W187 HydrophobicContact CG-CZ3 4.36Å; Y130-W187 AromaticContact CD1-CD1 3.79Å; Y130-W187 AromaticContact CD1-NE1 3.9Å; Y130-W187 PolarHBondContact O-NE1 2.95Å; Y130-W187 VanDerWaalsContact O-NE1 3.08Å; H134-W187 HydrophobicContact CB-CZ2 4.32Å; S183-W187 VanDerWaalsContact O-CB 3.28Å; S183-W187 WeakPolarHBondContact O-CB 3.35Å; S183-W187 PolarHBondContact O-N 2.83Å; F184-W187 PolarHBondContact O-N 2.87Å; A185-W187 VanDerWaalsContact C-N 3.32Å; A185-W187 PolarHBondContact O-N 3.16Å; W187-F300 AromaticContact CE3-CD2 3.83Å; W187-F300 HydrophobicContact CE3-CD2 3.83Å; W187-F300 AromaticContact CE3-CE2 3.74Å; W187-F300 HydrophobicContact CE3-CE2 3.74Å; W187-F300 HydrophobicContact CE3-CG 4.34Å; W187-F300 HydrophobicContact CE3-CZ 4.16Å; W187-F300 HydrophobicContact CH2-CE2 4.42Å; W187-F300 AromaticContact CZ3-CD2 3.71Å; W187-F300 HydrophobicContact CZ3-CD2 3.71Å; W187-F300 AromaticContact CZ3-CE2 3.53Å; W187-F300 HydrophobicContact CZ3-CE2 3.53Å; W187-F300 HydrophobicContact CZ3-CZ 4.32Å
188F97.9Very high97.8Very high2 Ų222.8 Ų22.81%0.00913%0.13CC..Hα-helixtrans-89.6-25.4-177.8-67.6-66.6000113.7Y130 L133 M137 L145 I148 F184 A185 R186 V239 I248Y130-F188 HydrophobicContact CD1-CE2 4.19Å; Y130-F188 AromaticContact CD1-CZ 3.78Å; Y130-F188 HydrophobicContact CD1-CZ 3.78Å; Y130-F188 AromaticContact CE1-CE2 3.86Å; Y130-F188 HydrophobicContact CE1-CE2 3.86Å; Y130-F188 AromaticContact CE1-CZ 3.77Å; Y130-F188 HydrophobicContact CE1-CZ 3.77Å; L133-F188 HydrophobicContact CB-CE1 3.98Å; L133-F188 HydrophobicContact CB-CZ 4.43Å; L133-F188 HydrophobicContact CD1-CE1 4.32Å; L133-F188 HydrophobicContact CD1-CZ 4.01Å; M137-F188 HydrophobicContact CE-CB 4.48Å; M137-F188 WeakPolarHBondContact CE-O 3.25Å; M137-F188 HydrophobicContact SD-CB 4.42Å; M137-F188 HydrophobicContact SD-CD1 3.47Å; M137-F188 WeakPolarHBondContact SD-CD1 3.24Å; M137-F188 HydrophobicContact SD-CE1 4.22Å; M137-F188 HydrophobicContact SD-CG 4.42Å; L145-F188 WeakPolarHBondContact CD2-O 3.44Å; I148-F188 HydrophobicContact CD1-CB 3.68Å; F184-F188 HydrophobicContact CD1-CD2 4.4Å; F184-F188 HydrophobicContact CD1-CE2 4.48Å; F184-F188 HydrophobicContact CD2-CD2 4.49Å; F184-F188 AromaticContact CD2-CE2 3.86Å; F184-F188 HydrophobicContact CD2-CE2 3.86Å; F184-F188 HydrophobicContact CE1-CD2 4.17Å; F184-F188 HydrophobicContact CE1-CE2 4.13Å; F184-F188 HydrophobicContact CE2-CD2 4.29Å; F184-F188 AromaticContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CE2 3.49Å; F184-F188 VanDerWaalsContact CE2-CE2 3.49Å; F184-F188 HydrophobicContact CE2-CZ 4.37Å; F184-F188 HydrophobicContact CG-CE2 4.36Å; F184-F188 HydrophobicContact CZ-CD2 4.1Å; F184-F188 AromaticContact CZ-CE2 3.61Å; F184-F188 HydrophobicContact CZ-CE2 3.61Å; F184-F188 WeakPolarHBondContact O-CD2 3.47Å; A185-F188 PolarHBondContact O-N 3.42Å; R186-F188 VanDerWaalsContact C-N 3.26Å; R186-F188 PolarHBondContact O-N 2.84Å; F188-V239 HydrophobicContact CB-CG1 3.99Å; F188-V239 HydrophobicContact CD1-CG1 4.2Å; F188-V239 HydrophobicContact CD1-CG2 4.37Å; F188-V239 HydrophobicContact CD2-CG1 4.44Å; F188-V239 HydrophobicContact CD2-CG2 3.57Å; F188-V239 HydrophobicContact CE1-CG2 4.48Å; F188-V239 HydrophobicContact CE2-CG2 3.75Å; F188-V239 HydrophobicContact CG-CG1 3.96Å; F188-V239 HydrophobicContact CG-CG2 3.92Å; F188-V239 HydrophobicContact CZ-CG2 4.19Å; F188-I248 HydrophobicContact CE2-CD1 3.94Å; F188-I248 HydrophobicContact CZ-CD1 3.57Å
189M97.9Very high97.9Very high7 Ų726.8 Ų26.83%0.03416%0.155CC..SBendtrans-67.6138.8179.9-68.6-175.682.700111.9L145 I148 A185 R186 E191 P193 N217 E221 A223L145-M189 HydrophobicContact CD2-CG 4.17Å; I148-M189 HydrophobicContact CD1-CG 3.68Å; A185-M189 WeakPolarHBondContact O-CG 3.47Å; A185-M189 PolarHBondContact O-N 3.46Å; R186-M189 PolarHBondContact NH1-O 2.97Å; R186-M189 PolarHBondContact O-N 3.08Å; M189-E191 VanDerWaalsContact C-N 3.25Å; M189-E191 PolarHBondContact O-N 2.98Å; M189-P193 HydrophobicContact CE-CB 3.65Å; M189-P193 HydrophobicContact CE-CG 4.18Å; M189-P193 HydrophobicContact SD-CB 3.82Å; M189-P193 HydrophobicContact SD-CG 3.66Å; M189-N217 HydrophobicContact CE-CB 4.17Å; M189-E221 HydrophobicContact CE-CB 3.88Å; M189-E221 WeakPolarHBondContact CE-O 3.12Å; M189-A223 HydrophobicContact SD-CB 4.08Å
190T96.4Very high97.9Very high91 Ų9129.1 Ų29.156%0.55817%0.166SC*.SBendtrans-64.8-32.3-176.7-60.30000111.9E221T190-E221 VanDerWaalsContact CB-OE1 3.25Å; T190-E221 WeakPolarHBondContact CB-OE1 3.17Å; T190-E221 PolarHBondContact N-OE2 3.34Å; T190-E221 PolarHBondContact OG1-OE1 3.19Å
191E96.3Very high97.9Very high52 Ų5231.5 Ų31.524%0.24318%0.183CC..SBendtrans-146.1165.517973.9-163.217800110.9R186 M189 P193 N217 D218 K219R186-E191 PolarHBondContact NH1-O 3.06Å; M189-E191 VanDerWaalsContact C-N 3.25Å; M189-E191 PolarHBondContact O-N 2.98Å; E191-P193 WeakPolarHBondContact O-CD 3.21Å; E191-N217 HydrophobicContact CG-CB 3.56Å; E191-N217 PolarHBondContact O-ND2 3.46Å; E191-N217 WeakPolarHBondContact OE1-CB 3.35Å; E191-D218 VanDerWaalsContact OE1-CA 3.26Å; E191-D218 WeakPolarHBondContact OE1-CA 3.41Å; E191-D218 VanDerWaalsContact OE1-CB 3.27Å; E191-D218 WeakPolarHBondContact OE1-CB 3.39Å; E191-D218 PolarHBondContact OE1-N 2.91Å; E191-K219 HydrophobicContact CG-CG 4.48Å; E191-K219 PolarHBondContact OE1-N 2.88Å; E191-K219 VanDerWaalsContact OE2-CE 3.27Å; E191-K219 WeakPolarHBondContact OE2-CE 3.42Å
192Q97.3Very high97.8Very high78 Ų7834.7 Ų34.736%0.36420%0.204SC..PPolyproline II helixtrans-59.1122.6-177.6-173.4179.65.300110.8D303 D306Q192-D303 HydrophobicContact CG-CB 4.16Å; Q192-D303 PolarHBondContact OE1-OD1 3.43Å; Q192-D306 PolarHBondContact NE2-OD2 2.82Å
193P98.4Very high97.7Very high4 Ų435.5 Ų35.53%0.02621%0.207CC..PPolyproline II helixtrans-83.5162.317535.6-37.4000112.5M189 E191 L215 Q216 N217 I307M189-P193 HydrophobicContact CE-CB 3.65Å; M189-P193 HydrophobicContact CE-CG 4.18Å; M189-P193 HydrophobicContact SD-CB 3.82Å; M189-P193 HydrophobicContact SD-CG 3.66Å; E191-P193 WeakPolarHBondContact O-CD 3.21Å; P193-L215 HydrophobicContact CB-CB 3.92Å; P193-L215 HydrophobicContact CG-CB 4.15Å; P193-L215 HydrophobicContact CG-CD1 4.22Å; P193-Q216 CarbonylContact C-O 3.5Å; P193-Q216 VanDerWaalsContact CA-O 3.31Å; P193-Q216 WeakPolarHBondContact CA-O 3.24Å; P193-Q216 WeakPolarHBondContact CB-O 3.47Å; P193-N217 HydrophobicContact CB-CB 4.4Å; P193-I307 HydrophobicContact CG-CD1 3.71Å; P193-I307 HydrophobicContact CG-CG1 4.38Å
194A98.2Very high97.6Very high45 Ų4540.5 Ų40.537%0.37224%0.242SC..EExtended strand (participates in β ladder)trans-101.1155.2164.300000111.3I196 L215 Q216A194-I196 PolarHBondContact O-N 2.89Å; A194-L215 WeakPolarHBondContact O-CA 3.43Å; A194-Q216 PolarHBondContact N-O 3.37Å; A194-Q216 PolarHBondContact O-N 3.06Å; A194-Q216 VanDerWaalsContact O-N 3.07Å
195V98.6Very high97.4Very high8 Ų842.6 Ų42.65%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-80105.8171.3178.40000109.9T213 L215 I307 Q310 M311 K314V195-T213 HydrophobicContact CG1-CG2 3.93Å; V195-T213 HydrophobicContact CG2-CG2 4.44Å; V195-L215 HydrophobicContact CB-CD2 4.47Å; V195-L215 HydrophobicContact CG2-CD2 3.75Å; V195-I307 HydrophobicContact CG2-CG2 4Å; V195-Q310 HydrophobicContact CB-CB 3.91Å; V195-Q310 HydrophobicContact CG2-CB 3.5Å; V195-Q310 VanDerWaalsContact CG2-CB 3.5Å; V195-M311 HydrophobicContact CG1-CG 4.42Å; V195-M311 HydrophobicContact CG2-CG 3.89Å; V195-K314 HydrophobicContact CG1-CG 4.04Å
196I97.9Very high97.3Very high85 Ų8545 Ų4544%0.43628%0.28SS..EExtended strand (participates in β ladder)trans-76.9-46.7-179.2-58.2-50.8000111.1A194 I214 Q216A194-I196 PolarHBondContact O-N 2.89Å; I196-I214 HydrophobicContact CB-CG2 4.28Å; I196-I214 PolarHBondContact N-O 3.46Å; I196-Q216 HydrophobicContact CD1-CB 3.91Å; I196-Q216 HydrophobicContact CG1-CB 3.46Å; I196-Q216 VanDerWaalsContact CG1-CB 3.46Å
197A97.9Very high97.2Very high45 Ų4545.2 Ų45.237%0.37228%0.282SS..EExtended strand (participates in β ladder)trans-147.9142177.500000109.3T213 I214A197-T213 WeakPolarHBondContact O-CA 3.41Å; A197-I214 HydrophobicContact CB-CD1 4.47Å; A197-I214 PolarHBondContact O-N 3.16Å
198S98.2Very high97.1Very high10 Ų1044.9 Ų44.97%0.0728%0.282CS..EExtended strand (participates in β ladder)trans-150.3133.9174.2-167.30000109.6V212 T213 W315 N318S198-V212 WeakPolarHBondContact CA-O 3.4Å; S198-T213 PolarHBondContact OG-OG1 3.38Å; S198-W315 PolarHBondContact OG-NE1 3.03Å; S198-N318 PolarHBondContact O-ND2 3.05Å
199T97.9Very high97.1Very high85 Ų8545.9 Ų45.952%0.52129%0.287SS..EExtended strand (participates in β ladder)trans-131148.5175.9-171.30000109.7S211 V212T199-S211 WeakPolarHBondContact O-CA 3.36Å; T199-S211 VanDerWaalsContact O-CB 3.28Å; T199-S211 WeakPolarHBondContact O-CB 3.49Å; T199-V212 PolarHBondContact N-O 3.44Å; T199-V212 PolarHBondContact O-N 2.84Å
200M97.6Very high97Very high48 Ų4849.3 Ų49.324%0.23630%0.302CS..EExtended strand (participates in β ladder)trans-140.3139.6-174.7179.5-84.3-74.600109.7P202 D208 Q210 W315M200-P202 HydrophobicContact CE-CB 4.33Å; M200-P202 VanDerWaalsContact SD-CA 3.5Å; M200-P202 HydrophobicContact SD-CB 3.82Å; M200-P202 HydrophobicContact SD-CG 4.41Å; M200-D208 HydrophobicContact CE-CB 4.41Å; M200-D208 HydrophobicContact CG-CB 3.43Å; M200-D208 VanDerWaalsContact CG-CB 3.43Å; M200-D208 HydrophobicContact SD-CB 3.84Å; M200-Q210 CarbonylContact C-O 3.57Å; M200-Q210 WeakPolarHBondContact CA-O 3.32Å; M200-W315 HydrophobicContact CB-CB 4.4Å; M200-W315 HydrophobicContact CB-CD2 3.48Å; M200-W315 VanDerWaalsContact CB-CD2 3.48Å; M200-W315 HydrophobicContact CB-CE3 4.01Å; M200-W315 HydrophobicContact CB-CG 3.63Å; M200-W315 HydrophobicContact CB-CH2 4.48Å; M200-W315 HydrophobicContact CB-CZ2 4.07Å; M200-W315 HydrophobicContact CB-CZ3 4.47Å; M200-W315 HydrophobicContact CE-CB 4.24Å; M200-W315 HydrophobicContact CE-CD2 4.41Å; M200-W315 HydrophobicContact CE-CE3 4.11Å; M200-W315 HydrophobicContact CE-CG 4.49Å; M200-W315 HydrophobicContact CG-CD2 3.86Å; M200-W315 HydrophobicContact CG-CE3 3.84Å; M200-W315 HydrophobicContact CG-CG 4.39Å; M200-W315 HydrophobicContact CG-CH2 4.22Å; M200-W315 HydrophobicContact CG-CZ2 4.3Å; M200-W315 HydrophobicContact CG-CZ3 4.02Å
201V97.1Very high97.1Very high71 Ų7145.1 Ų45.143%0.4328%0.277SS..EExtended strand (participates in β ladder)trans-107.1121.9167.4-179.30000107.1E209 Q210V201-E209 WeakPolarHBondContact O-CB 3.29Å; V201-E209 PolarHBondContact O-N 3.18Å; V201-Q210 HydrophobicContact CB-CG 3.69Å; V201-Q210 HydrophobicContact CG2-CG 4.13Å; V201-Q210 PolarHBondContact N-O 3.31Å; V201-Q210 PolarHBondContact O-N 3.45Å
202P96.6Very high97.2Very high68 Ų6846.2 Ų46.244%0.44229%0.287SS..EExtended strand (participates in β ladder)trans-79.9151.4-177.831.5-34.5000110.6M200 V207M200-P202 HydrophobicContact CE-CB 4.33Å; M200-P202 VanDerWaalsContact SD-CA 3.5Å; M200-P202 HydrophobicContact SD-CB 3.82Å; M200-P202 HydrophobicContact SD-CG 4.41Å; P202-V207 CarbonylContact C-O 3.58Å; P202-V207 VanDerWaalsContact CA-O 3.27Å; P202-V207 WeakPolarHBondContact CA-O 3.44Å
203F96.8Very high97.3Very high16 Ų1642.5 Ų42.57%0.0727%0.27CS..  trans-69.2166.8161.9-170.7-108.7000109.2P158 P160 F165 T205 G206 V207 E209 Q230P158-F203 HydrophobicContact CB-CE2 3.76Å; P158-F203 HydrophobicContact CB-CZ 4.05Å; P160-F203 HydrophobicContact CB-CE1 4.05Å; F165-F203 HydrophobicContact CB-CD1 3.56Å; F165-F203 HydrophobicContact CB-CE1 3.66Å; F165-F203 HydrophobicContact CB-CG 4.24Å; F165-F203 HydrophobicContact CB-CZ 4.43Å; F165-F203 HydrophobicContact CD1-CB 3.74Å; F165-F203 AromaticContact CD1-CD1 3.65Å; F165-F203 HydrophobicContact CD1-CD1 3.65Å; F165-F203 AromaticContact CD1-CD2 3.72Å; F165-F203 HydrophobicContact CD1-CD2 3.72Å; F165-F203 HydrophobicContact CD1-CE1 4.18Å; F165-F203 HydrophobicContact CD1-CE2 4.25Å; F165-F203 AromaticContact CD1-CG 3.4Å; F165-F203 HydrophobicContact CD1-CG 3.4Å; F165-F203 HydrophobicContact CD1-CZ 4.46Å; F165-F203 HydrophobicContact CD2-CD1 4.47Å; F165-F203 HydrophobicContact CD2-CE1 4.19Å; F165-F203 HydrophobicContact CD2-CE2 4.31Å; F165-F203 HydrophobicContact CD2-CZ 4.11Å; F165-F203 HydrophobicContact CE1-CB 4.16Å; F165-F203 HydrophobicContact CE1-CD1 4.49Å; F165-F203 AromaticContact CE1-CD2 3.74Å; F165-F203 HydrophobicContact CE1-CD2 3.74Å; F165-F203 HydrophobicContact CE1-CE2 4.28Å; F165-F203 AromaticContact CE1-CG 3.87Å; F165-F203 HydrophobicContact CE1-CG 3.87Å; F165-F203 HydrophobicContact CE2-CE2 4.35Å; F165-F203 AromaticContact CG-CD1 3.64Å; F165-F203 HydrophobicContact CG-CD1 3.64Å; F165-F203 HydrophobicContact CG-CD2 4.16Å; F165-F203 AromaticContact CG-CE1 3.75Å; F165-F203 HydrophobicContact CG-CE1 3.75Å; F165-F203 HydrophobicContact CG-CE2 4.28Å; F165-F203 AromaticContact CG-CG 3.86Å; F165-F203 HydrophobicContact CG-CG 3.86Å; F165-F203 HydrophobicContact CG-CZ 4.08Å; F165-F203 HydrophobicContact CZ-CD2 4.2Å; F165-F203 HydrophobicContact CZ-CE2 4.33Å; F203-T205 HydrophobicContact CD1-CG2 3.9Å; F203-T205 WeakPolarHBondContact CD1-OG1 3.33Å; F203-T205 HydrophobicContact CE1-CG2 4.07Å; F203-T205 PolarHBondContact O-N 2.94Å; F203-G206 PolarHBondContact O-N 3.2Å; F203-V207 HydrophobicContact CB-CG2 4.1Å; F203-V207 PolarHBondContact N-O 2.92Å; F203-E209 HydrophobicContact CB-CB 4.01Å; F203-E209 HydrophobicContact CD2-CG 4.44Å; F203-E209 WeakPolarHBondContact CD2-OE2 3.33Å; F203-Q230 VanDerWaalsContact CD2-NE2 3.27Å
204S95.6Very high97.3Very high105 Ų10545.7 Ų45.773%0.73429%0.286SS*.THydrogen-bonded Turntrans-55.4-21.3178.764.20000115.2
205T96Very high97.3Very high44 Ų4443.6 Ų43.627%0.2727%0.268SS..THydrogen-bonded Turntrans-87.1-5176.259.30000114.1P160 F165 F203P160-T205 HydrophobicContact CB-CG2 3.37Å; F165-T205 VanDerWaalsContact O-CB 3.26Å; F165-T205 WeakPolarHBondContact O-CB 3.49Å; F165-T205 WeakPolarHBondContact O-CG2 3.4Å; F165-T205 PolarHBondContact O-OG1 3.43Å; F203-T205 HydrophobicContact CD1-CG2 3.9Å; F203-T205 WeakPolarHBondContact CD1-OG1 3.33Å; F203-T205 HydrophobicContact CE1-CG2 4.07Å; F203-T205 PolarHBondContact O-N 2.94Å
206G95Very high97.3Very high51 Ų5146.2 Ų46.253%0.52628%0.28SS..SBendtrans90.6-7.4-179.400000115.5F203F203-G206 PolarHBondContact O-N 3.2Å
207V95.2Very high97.3Very high12 Ų1242.5 Ų42.57%0.07326%0.261CS..SBendtrans-71.9158.9171.4-53.60000110.8F165 P167 G171 P202 F203 E209F165-V207 HydrophobicContact CD1-CG2 4.18Å; P167-V207 HydrophobicContact CB-CG1 3.77Å; G171-V207 WeakPolarHBondContact O-CG1 3.45Å; P202-V207 CarbonylContact C-O 3.58Å; P202-V207 VanDerWaalsContact CA-O 3.27Å; P202-V207 WeakPolarHBondContact CA-O 3.44Å; F203-V207 HydrophobicContact CB-CG2 4.1Å; F203-V207 PolarHBondContact N-O 2.92Å; V207-E209 PolarHBondContact O-N 3.32Å
208D96.5Very high97.3Very high16 Ų1647.6 Ų47.69%0.08628%0.282CS..EExtended strand (participates in β ladder)trans-70.7119.2178.865.1-72000111.7G172 A173 L174 M200 W315G172-D208 WeakPolarHBondContact CA-O 3.42Å; G172-D208 VanDerWaalsContact CA-OD1 3.25Å; G172-D208 WeakPolarHBondContact CA-OD1 3.28Å; A173-D208 WeakPolarHBondContact CA-OD2 3.29Å; A173-D208 WeakPolarHBondContact CB-OD2 3.28Å; A173-D208 PolarHBondContact N-O 3.45Å; A173-D208 PolarHBondContact N-OD2 3.31Å; L174-D208 WeakPolarHBondContact CB-OD2 3.46Å; L174-D208 PolarHBondContact N-OD2 2.87Å; M200-D208 HydrophobicContact CE-CB 4.41Å; M200-D208 HydrophobicContact CG-CB 3.43Å; M200-D208 VanDerWaalsContact CG-CB 3.43Å; M200-D208 HydrophobicContact SD-CB 3.84Å; D208-W315 HydrophobicContact CB-CE3 4.29Å; D208-W315 HydrophobicContact CB-CH2 4.01Å; D208-W315 HydrophobicContact CB-CZ3 3.56Å
209E97Very high97.2Very high23 Ų2353 Ų5311%0.10730%0.304CS..EExtended strand (participates in β ladder)trans-88.7-46.2177.4-175.7-169108.600110.8F165 V201 F203 V207 T228 F229 Q230F165-E209 HydrophobicContact CE1-CG 4.39Å; V201-E209 WeakPolarHBondContact O-CB 3.29Å; V201-E209 PolarHBondContact O-N 3.18Å; F203-E209 HydrophobicContact CB-CB 4.01Å; F203-E209 HydrophobicContact CD2-CG 4.44Å; F203-E209 WeakPolarHBondContact CD2-OE2 3.33Å; V207-E209 PolarHBondContact O-N 3.32Å; E209-T228 CarbonylContact O-C 3.53Å; E209-T228 WeakPolarHBondContact O-CA 3.11Å; E209-F229 PolarHBondContact O-N 3.48Å; E209-Q230 HydrophobicContact CG-CB 4.29Å; E209-Q230 HydrophobicContact CG-CG 3.8Å; E209-Q230 PolarHBondContact OE1-OE1 2.82Å; E209-Q230 VanDerWaalsContact OE2-CD 3.26Å; E209-Q230 PolarHBondContact OE2-NE2 3.07Å
210Q97Very high97.2Very high78 Ų7854 Ų5436%0.36431%0.306SS..EExtended strand (participates in β ladder)trans-146.8149.4177.960.2177.332.900111M200 V201 L227M200-Q210 CarbonylContact C-O 3.57Å; M200-Q210 WeakPolarHBondContact CA-O 3.32Å; V201-Q210 HydrophobicContact CB-CG 3.69Å; V201-Q210 HydrophobicContact CG2-CG 4.13Å; V201-Q210 PolarHBondContact N-O 3.31Å; V201-Q210 PolarHBondContact O-N 3.45Å; Q210-L227 CarbonylContact C-O 3.54Å; Q210-L227 WeakPolarHBondContact CA-O 3.28Å; Q210-L227 VanDerWaalsContact CB-O 3.29Å; Q210-L227 WeakPolarHBondContact CB-O 3.35Å
211S98.2Very high97.2Very high4 Ų452.1 Ų52.13%0.02830%0.297CS..EExtended strand (participates in β ladder)trans-151.3155.8179.365.70000112T199 S226 L227 W315T199-S211 WeakPolarHBondContact O-CA 3.36Å; T199-S211 VanDerWaalsContact O-CB 3.28Å; T199-S211 WeakPolarHBondContact O-CB 3.49Å; S211-S226 WeakPolarHBondContact O-CA 3.23Å; S211-L227 PolarHBondContact N-O 2.57Å; S211-L227 PolarHBondContact O-N 2.88Å; S211-W315 VanDerWaalsContact CB-CZ2 3.42Å
212V98.1Very high97.3Very high74 Ų7451.9 Ų51.945%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-131.8132.6169.7179.50000108.4S198 T199 V225S198-V212 WeakPolarHBondContact CA-O 3.4Å; T199-V212 PolarHBondContact N-O 3.44Å; T199-V212 PolarHBondContact O-N 2.84Å; V212-V225 CarbonylContact C-O 3.52Å; V212-V225 WeakPolarHBondContact CA-O 3.38Å
213T98.7Very high97.4Very high0 Ų048.7 Ų48.70%027%0.272CS..EExtended strand (participates in β ladder)trans-133.4138.5-175.9-61.10000111.1V195 A197 S198 L215 T224 V225 M311V195-T213 HydrophobicContact CG1-CG2 3.93Å; V195-T213 HydrophobicContact CG2-CG2 4.44Å; A197-T213 WeakPolarHBondContact O-CA 3.41Å; S198-T213 PolarHBondContact OG-OG1 3.38Å; T213-L215 HydrophobicContact CG2-CD2 3.71Å; T213-L215 HydrophobicContact CG2-CG 4.36Å; T213-T224 WeakPolarHBondContact O-CA 3.42Å; T213-V225 PolarHBondContact N-O 2.87Å; T213-V225 PolarHBondContact O-N 3.41Å; T213-M311 HydrophobicContact CG2-CE 4.33Å; T213-M311 HydrophobicContact CG2-CG 3.83Å; T213-M311 HydrophobicContact CG2-SD 4.2Å; T213-M311 VanDerWaalsContact OG1-CE 3.28Å; T213-M311 WeakPolarHBondContact OG1-CE 2.97Å
214I98.7Very high97.5Very high71 Ų7150 Ų5036%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-108.7124.2171.8-61170000108.4I196 A197 L222 A223I196-I214 HydrophobicContact CB-CG2 4.28Å; I196-I214 PolarHBondContact N-O 3.46Å; A197-I214 HydrophobicContact CB-CD1 4.47Å; A197-I214 PolarHBondContact O-N 3.16Å; I214-L222 HydrophobicContact CG2-CD2 4.48Å; I214-A223 WeakPolarHBondContact CA-O 3.33Å
215L98.8Very high97.6Very high1 Ų145 Ų451%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-108.1144174.5-51.9179.9000109.8A185 P193 A194 V195 T213 L222 A223 V225 I307A185-L215 HydrophobicContact CB-CD1 4.31Å; P193-L215 HydrophobicContact CB-CB 3.92Å; P193-L215 HydrophobicContact CG-CB 4.15Å; P193-L215 HydrophobicContact CG-CD1 4.22Å; A194-L215 WeakPolarHBondContact O-CA 3.43Å; V195-L215 HydrophobicContact CB-CD2 4.47Å; V195-L215 HydrophobicContact CG2-CD2 3.75Å; T213-L215 HydrophobicContact CG2-CD2 3.71Å; T213-L215 HydrophobicContact CG2-CG 4.36Å; L215-L222 WeakPolarHBondContact O-CA 3.42Å; L215-A223 HydrophobicContact CB-CB 4.1Å; L215-A223 HydrophobicContact CD1-CB 4.27Å; L215-A223 HydrophobicContact CG-CB 4.5Å; L215-A223 PolarHBondContact N-O 3.16Å; L215-A223 PolarHBondContact O-N 2.86Å; L215-V225 HydrophobicContact CD1-CG2 4.21Å; L215-I307 HydrophobicContact CD1-CG2 4.28Å; L215-I307 HydrophobicContact CD2-CG2 3.73Å
216Q98.6Very high97.7Very high64 Ų6444.4 Ų44.430%0.29924%0.244SC..EExtended strand (participates in β ladder)trans-147.2144.2174.5-172.7175.39.900111.2P193 A194 I196 E221 L222P193-Q216 CarbonylContact C-O 3.5Å; P193-Q216 VanDerWaalsContact CA-O 3.31Å; P193-Q216 WeakPolarHBondContact CA-O 3.24Å; P193-Q216 WeakPolarHBondContact CB-O 3.47Å; A194-Q216 PolarHBondContact N-O 3.37Å; A194-Q216 PolarHBondContact O-N 3.06Å; A194-Q216 VanDerWaalsContact O-N 3.07Å; I196-Q216 HydrophobicContact CD1-CB 3.91Å; I196-Q216 HydrophobicContact CG1-CB 3.46Å; I196-Q216 VanDerWaalsContact CG1-CB 3.46Å; Q216-E221 WeakPolarHBondContact CA-O 3.38Å; Q216-L222 HydrophobicContact CB-CD2 3.74Å; Q216-L222 HydrophobicContact CG-CD2 3.69Å
217N98.2Very high97.9Very high7 Ų742.1 Ų42.14%0.03722%0.22CC..  trans-115.5176.5170.167.516000112.7M189 E191 P193 K219 N220 E221M189-N217 HydrophobicContact CE-CB 4.17Å; E191-N217 HydrophobicContact CG-CB 3.56Å; E191-N217 PolarHBondContact O-ND2 3.46Å; E191-N217 WeakPolarHBondContact OE1-CB 3.35Å; P193-N217 HydrophobicContact CB-CB 4.4Å; N217-K219 PolarHBondContact O-N 2.76Å; N217-K219 WeakPolarHBondContact OD1-CA 3.21Å; N217-K219 WeakPolarHBondContact OD1-CB 3.28Å; N217-K219 PolarHBondContact OD1-N 3.07Å; N217-N220 PolarHBondContact O-N 3.21Å; N217-N220 PolarHBondContact OD1-N 3.1Å; N217-E221 PolarHBondContact N-O 3.16Å; N217-E221 PolarHBondContact ND2-OE2 3.44Å; N217-E221 WeakPolarHBondContact OD1-CB 3.32Å; N217-E221 PolarHBondContact OD1-N 2.86Å
218D97Very high98Very high152 Ų15242 Ų4281%0.81322%0.219SC*.THydrogen-bonded Turntrans-70.6-16-178-65.4-24.6000112.7E191 N220E191-D218 VanDerWaalsContact OE1-CA 3.26Å; E191-D218 WeakPolarHBondContact OE1-CA 3.41Å; E191-D218 VanDerWaalsContact OE1-CB 3.27Å; E191-D218 WeakPolarHBondContact OE1-CB 3.39Å; E191-D218 PolarHBondContact OE1-N 2.91Å; D218-N220 PolarHBondContact O-N 2.92Å
219K96.6Very high98Very high123 Ų12341.2 Ų41.254%0.53522%0.215SC..THydrogen-bonded Turntrans-75.5-0.9167.6-55.7-51.3174.6-171.80114.2E191 N217 E221E191-K219 HydrophobicContact CG-CG 4.48Å; E191-K219 PolarHBondContact OE1-N 2.88Å; E191-K219 VanDerWaalsContact OE2-CE 3.27Å; E191-K219 WeakPolarHBondContact OE2-CE 3.42Å; N217-K219 PolarHBondContact O-N 2.76Å; N217-K219 WeakPolarHBondContact OD1-CA 3.21Å; N217-K219 WeakPolarHBondContact OD1-CB 3.28Å; N217-K219 PolarHBondContact OD1-N 3.07Å; K219-E221 HydrophobicContact CB-CG 4.08Å; K219-E221 PolarHBondContact O-N 2.84Å
220N97Very high97.9Very high105 Ų10543.5 Ų43.556%0.56123%0.226SC*.  trans60.830.2-173.2-57-74.3000113.2N217 D218N217-N220 PolarHBondContact O-N 3.21Å; N217-N220 PolarHBondContact OD1-N 3.1Å; D218-N220 PolarHBondContact O-N 2.92Å
221E98.5Very high97.8Very high9 Ų941.8 Ų41.84%0.04223%0.225CC..  trans-81.5134.8167-59.9166.2174.600107.9L145 M189 T190 Q216 N217 K219L145-E221 HydrophobicContact CB-CG 4.13Å; L145-E221 HydrophobicContact CD2-CB 4.23Å; L145-E221 HydrophobicContact CD2-CG 4.14Å; L145-E221 HydrophobicContact CG-CB 4.47Å; L145-E221 HydrophobicContact CG-CG 4.17Å; M189-E221 HydrophobicContact CE-CB 3.88Å; M189-E221 WeakPolarHBondContact CE-O 3.12Å; T190-E221 VanDerWaalsContact CB-OE1 3.25Å; T190-E221 WeakPolarHBondContact CB-OE1 3.17Å; T190-E221 PolarHBondContact N-OE2 3.34Å; T190-E221 PolarHBondContact OG1-OE1 3.19Å; Q216-E221 WeakPolarHBondContact CA-O 3.38Å; N217-E221 PolarHBondContact N-O 3.16Å; N217-E221 PolarHBondContact ND2-OE2 3.44Å; N217-E221 WeakPolarHBondContact OD1-CB 3.32Å; N217-E221 PolarHBondContact OD1-N 2.86Å; K219-E221 HydrophobicContact CB-CG 4.08Å; K219-E221 PolarHBondContact O-N 2.84Å
222L98.7Very high97.7Very high67 Ų6750.2 Ų50.235%0.35126%0.261SS..EExtended strand (participates in β ladder)trans-112.2146.1-179.8-69.9170.3000110.6K146 M147 I148 I214 L215 Q216K146-L222 PolarHBondContact O-N 2.86Å; K146-L222 VanDerWaalsContact O-N 3.11Å; M147-L222 CarbonylContact C-O 3.55Å; M147-L222 WeakPolarHBondContact CA-O 3.21Å; I148-L222 PolarHBondContact N-O 2.94Å; I214-L222 HydrophobicContact CG2-CD2 4.48Å; L215-L222 WeakPolarHBondContact O-CA 3.42Å; Q216-L222 HydrophobicContact CB-CD2 3.74Å; Q216-L222 HydrophobicContact CG-CD2 3.69Å
223A98.8Very high97.6Very high0 Ų049.7 Ų49.70%025%0.254CS..EExtended strand (participates in β ladder)trans-134.7146.3166.100000111I148 A185 M189 I214 L215I148-A223 HydrophobicContact CB-CB 3.79Å; I148-A223 HydrophobicContact CG2-CB 4.44Å; I148-A223 CarbonylContact O-C 3.49Å; I148-A223 WeakPolarHBondContact O-CA 3.37Å; A185-A223 HydrophobicContact CB-CB 4.02Å; M189-A223 HydrophobicContact SD-CB 4.08Å; I214-A223 WeakPolarHBondContact CA-O 3.33Å; L215-A223 HydrophobicContact CB-CB 4.1Å; L215-A223 HydrophobicContact CD1-CB 4.27Å; L215-A223 HydrophobicContact CG-CB 4.5Å; L215-A223 PolarHBondContact N-O 3.16Å; L215-A223 PolarHBondContact O-N 2.86Å
224T98.6Very high97.2Very high44 Ų4454 Ų5427%0.2728%0.283SS..EExtended strand (participates in β ladder)trans-115.3127.2170.455.90000109.4I148 A150 T213I148-T224 PolarHBondContact O-N 3.08Å; I148-T224 PolarHBondContact O-OG1 3.26Å; A150-T224 PolarHBondContact N-O 3.05Å; T213-T224 WeakPolarHBondContact O-CA 3.42Å
225V98.6Very high97Very high0 Ų053.2 Ų53.20%028%0.277CS..EExtended strand (participates in β ladder)trans-114.4121.7174.5173.90000107.3A150 A181 V182 A185 V212 T213 L215 L227A150-V225 HydrophobicContact CB-CG2 4.37Å; A181-V225 HydrophobicContact CB-CG1 3.71Å; V182-V225 HydrophobicContact CG2-CG1 4.25Å; V182-V225 HydrophobicContact CG2-CG2 4.31Å; A185-V225 HydrophobicContact CB-CG2 4.44Å; V212-V225 CarbonylContact C-O 3.52Å; V212-V225 WeakPolarHBondContact CA-O 3.38Å; T213-V225 PolarHBondContact N-O 2.87Å; T213-V225 PolarHBondContact O-N 3.41Å; L215-V225 HydrophobicContact CD1-CG2 4.21Å; V225-L227 HydrophobicContact CG1-CD1 4.38Å; V225-L227 HydrophobicContact CG1-CD2 3.91Å; V225-L227 HydrophobicContact CG1-CG 4Å
226S98.2Very high96.9Very high31 Ų3156.1 Ų56.122%0.21729%0.289CS..EExtended strand (participates in β ladder)trans-125121.1-180-59.30000109.4A150 P151 F152 S211A150-S226 PolarHBondContact O-N 3.46Å; P151-S226 CarbonylContact C-O 3.53Å; P151-S226 WeakPolarHBondContact CA-O 3.32Å; F152-S226 PolarHBondContact N-O 2.89Å; S211-S226 WeakPolarHBondContact O-CA 3.23Å
227L98.2Very high96.9Very high4 Ų453 Ų532%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-121.2143.6-174.1-52.3177.5000110.2F152 A173 L174 I177 A181 Q210 S211 V225 M311F152-L227 HydrophobicContact CB-CD2 3.93Å; F152-L227 WeakPolarHBondContact O-CA 3.41Å; A173-L227 HydrophobicContact CB-CB 4.12Å; L174-L227 HydrophobicContact CD1-CD1 4.07Å; I177-L227 HydrophobicContact CG1-CD2 4.46Å; A181-L227 HydrophobicContact CB-CD2 3.77Å; Q210-L227 CarbonylContact C-O 3.54Å; Q210-L227 WeakPolarHBondContact CA-O 3.28Å; Q210-L227 VanDerWaalsContact CB-O 3.29Å; Q210-L227 WeakPolarHBondContact CB-O 3.35Å; S211-L227 PolarHBondContact N-O 2.57Å; S211-L227 PolarHBondContact O-N 2.88Å; V225-L227 HydrophobicContact CG1-CD1 4.38Å; V225-L227 HydrophobicContact CG1-CD2 3.91Å; V225-L227 HydrophobicContact CG1-CG 4Å; L227-M311 HydrophobicContact CD1-CE 4.47Å
228T97.7Very high96.9Very high8 Ų855.1 Ų55.15%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-159.4139.3171.5176.40000112.5F152 G153 S154 E209 Q230 A231 M233F152-T228 PolarHBondContact O-N 3.15Å; F152-T228 VanDerWaalsContact O-N 3.07Å; G153-T228 CarbonylContact C-O 3.6Å; G153-T228 WeakPolarHBondContact CA-O 3.26Å; S154-T228 PolarHBondContact N-O 3.27Å; E209-T228 CarbonylContact O-C 3.53Å; E209-T228 WeakPolarHBondContact O-CA 3.11Å; T228-Q230 PolarHBondContact OG1-N 2.73Å; T228-Q230 VanDerWaalsContact OG1-N 3.16Å; T228-A231 HydrophobicContact CG2-CB 3.84Å; T228-A231 WeakPolarHBondContact CG2-O 3.49Å; T228-A231 PolarHBondContact OG1-N 2.98Å; T228-A231 VanDerWaalsContact OG1-N 3.16Å; T228-M233 HydrophobicContact CG2-CG 4.2Å; T228-M233 HydrophobicContact CG2-SD 3.74Å
229F97.1Very high97Very high0 Ų047.9 Ų47.90%025%0.247CC..SBendtrans-101.3-5.1169.6-79.9-18.2000114.4S154 Y155 K156 F164 F165 G172 A173 D176 I177 E209S154-F229 WeakPolarHBondContact O-CA 3.44Å; S154-F229 WeakPolarHBondContact O-CD1 3.33Å; Y155-F229 CarbonylContact C-O 3.42Å; Y155-F229 WeakPolarHBondContact CA-O 3.48Å; K156-F229 HydrophobicContact CG-CB 4.11Å; K156-F229 HydrophobicContact CG-CD1 4.01Å; K156-F229 HydrophobicContact CG-CD2 4.44Å; K156-F229 HydrophobicContact CG-CE1 4.42Å; K156-F229 HydrophobicContact CG-CG 3.98Å; K156-F229 PolarHBondContact N-O 2.86Å; F164-F229 HydrophobicContact CB-CD2 4.15Å; F164-F229 HydrophobicContact CB-CE2 3.83Å; F164-F229 HydrophobicContact CB-CZ 4.44Å; F164-F229 HydrophobicContact CD1-CE1 4.46Å; F164-F229 AromaticContact CD1-CE2 3.97Å; F164-F229 HydrophobicContact CD1-CE2 3.97Å; F164-F229 AromaticContact CD1-CZ 3.73Å; F164-F229 HydrophobicContact CD1-CZ 3.73Å; F164-F229 HydrophobicContact CE1-CZ 4.49Å; F164-F229 HydrophobicContact CG-CE2 4.34Å; F164-F229 HydrophobicContact CG-CZ 4.48Å; F165-F229 HydrophobicContact CE1-CB 3.9Å; F165-F229 HydrophobicContact CE1-CD2 4.1Å; F165-F229 HydrophobicContact CZ-CB 3.83Å; G172-F229 VanDerWaalsContact O-CE2 3.29Å; G172-F229 WeakPolarHBondContact O-CE2 3.37Å; A173-F229 VanDerWaalsContact CA-CE2 3.46Å; A173-F229 HydrophobicContact CB-CD1 4.13Å; A173-F229 HydrophobicContact CB-CD2 3.98Å; A173-F229 HydrophobicContact CB-CE1 4.29Å; A173-F229 HydrophobicContact CB-CE2 4.14Å; A173-F229 HydrophobicContact CB-CG 4.01Å; A173-F229 HydrophobicContact CB-CZ 4.32Å; D176-F229 HydrophobicContact CB-CZ 3.71Å; I177-F229 HydrophobicContact CB-CE1 4.43Å; I177-F229 HydrophobicContact CD1-CD1 3.8Å; I177-F229 HydrophobicContact CD1-CE1 3.67Å; I177-F229 HydrophobicContact CG1-CD1 4.32Å; I177-F229 HydrophobicContact CG1-CE1 3.74Å; I177-F229 HydrophobicContact CG1-CZ 4.41Å; I177-F229 HydrophobicContact CG2-CE1 3.9Å; E209-F229 PolarHBondContact O-N 3.48Å
230Q94.6Very high97.1Very high71 Ų7143.1 Ų43.133%0.33223%0.231SC..SBendtrans-112.66.1176.5-73.2-166.91700114F165 F203 E209 T228F165-Q230 HydrophobicContact CZ-CG 4.44Å; F203-Q230 VanDerWaalsContact CD2-NE2 3.27Å; E209-Q230 HydrophobicContact CG-CB 4.29Å; E209-Q230 HydrophobicContact CG-CG 3.8Å; E209-Q230 PolarHBondContact OE1-OE1 2.82Å; E209-Q230 VanDerWaalsContact OE2-CD 3.26Å; E209-Q230 PolarHBondContact OE2-NE2 3.07Å; T228-Q230 PolarHBondContact OG1-N 2.73Å; T228-Q230 VanDerWaalsContact OG1-N 3.16Å
231A95.8Very high97.2Very high43 Ų4338.9 Ų38.936%0.35521%0.207SC..SBendtrans-134.1142167.200000111.3G153 S154 T228G153-A231 CarbonylContact C-O 3.56Å; G153-A231 VanDerWaalsContact C-O 3.22Å; G153-A231 VanDerWaalsContact CA-O 3.26Å; G153-A231 WeakPolarHBondContact CA-O 3.44Å; S154-A231 PolarHBondContact N-O 3.49Å; T228-A231 HydrophobicContact CG2-CB 3.84Å; T228-A231 WeakPolarHBondContact CG2-O 3.49Å; T228-A231 PolarHBondContact OG1-N 2.98Å; T228-A231 VanDerWaalsContact OG1-N 3.16Å
232K95.3Very high97.2Very high181 Ų18142.7 Ų42.779%0.78723%0.225SC*.  trans-83.6127.6169-173.9175.3-178.5177.50108.5
233M95.2Very high97.2Very high62 Ų6242.9 Ų42.931%0.30523%0.226SC..  trans-122.5151172-60.7174.37600109.2P151 G153 T228 K235P151-M233 HydrophobicContact CB-CE 3.41Å; P151-M233 VanDerWaalsContact CB-CE 3.41Å; P151-M233 HydrophobicContact CB-SD 4.31Å; G153-M233 PolarHBondContact O-N 3.48Å; G153-M233 VanDerWaalsContact O-N 3.12Å; T228-M233 HydrophobicContact CG2-CG 4.2Å; T228-M233 HydrophobicContact CG2-SD 3.74Å; M233-K235 PolarHBondContact O-N 3.26Å
234P90.2Very high97.1Very high91 Ų9143 Ų4359%0.59123%0.228SC*.  trans-60130.9165.628-33.4000108.2K236P234-K236 HydrophobicContact CB-CB 4.3Å; P234-K236 PolarHBondContact O-N 3.44Å
235K94.3Very high97.1Very high55 Ų5545.7 Ų45.724%0.23923%0.233CC..  trans-78.861174.1-57.9178.6-151.8151.10109.2F152 M233 D249 E250 Y251 P252F152-K235 HydrophobicContact CD2-CD 4.13Å; F152-K235 HydrophobicContact CD2-CG 3.91Å; F152-K235 HydrophobicContact CE1-CD 4.4Å; F152-K235 HydrophobicContact CE2-CD 3.47Å; F152-K235 VanDerWaalsContact CE2-CD 3.47Å; F152-K235 HydrophobicContact CE2-CG 3.78Å; F152-K235 HydrophobicContact CZ-CD 3.63Å; F152-K235 HydrophobicContact CZ-CG 4.29Å; M233-K235 PolarHBondContact O-N 3.26Å; K235-D249 CarbonylContact O-C 3.6Å; K235-E250 WeakPolarHBondContact CD-OE2 3.43Å; K235-E250 WeakPolarHBondContact CE-OE2 3.46Å; K235-E250 IonicContact NZ-OE1 2.86Å; K235-E250 IonicContact NZ-OE2 3.57Å; K235-E250 PolarHBondContact NZ-OE2 3.02Å; K235-E250 WeakPolarHBondContact O-CA 3.31Å; K235-E250 PolarHBondContact O-N 2.93Å; K235-Y251 HydrophobicContact CB-CD1 4.36Å; K235-Y251 HydrophobicContact CB-CE1 4.32Å; K235-Y251 VanDerWaalsContact O-CD1 3.28Å; K235-Y251 WeakPolarHBondContact O-CD1 3.38Å; K235-Y251 PolarHBondContact O-N 3.19Å; K235-P252 HydrophobicContact CD-CG 4.32Å
236K98Very high97.1Very high61 Ų6145.7 Ų45.727%0.26523%0.233SC..EExtended strand (participates in β ladder)trans-107.7106.1-173.7-172.3169.9-164.1123.30109.7P151 P234 T247 I248 D249P151-K236 VanDerWaalsContact CD-O 3.24Å; P151-K236 WeakPolarHBondContact CD-O 3.25Å; P151-K236 WeakPolarHBondContact CG-O 3.47Å; P234-K236 HydrophobicContact CB-CB 4.3Å; P234-K236 PolarHBondContact O-N 3.44Å; K236-T247 WeakPolarHBondContact CE-OG1 3.47Å; K236-I248 WeakPolarHBondContact CA-O 3.35Å; K236-D249 WeakPolarHBondContact CB-OD1 3.33Å; K236-D249 WeakPolarHBondContact CD-OD1 3.26Å; K236-D249 WeakPolarHBondContact CG-OD1 3.27Å; K236-D249 IonicContact NZ-OD1 3.23Å; K236-D249 PolarHBondContact NZ-OD1 2.92Å; K236-D249 IonicContact NZ-OD2 2.78Å; K236-D249 PolarHBondContact NZ-OD2 3.22Å
237G98.6Very high97.1Very high0 Ų044.6 Ų44.60%023%0.226CC..EExtended strand (participates in β ladder)trans-78.5138.1172.400000110.5Q149 F184 T247 I248Q149-G237 WeakPolarHBondContact O-CA 3.49Å; F184-G237 VanDerWaalsContact CZ-CA 3.47Å; G237-T247 WeakPolarHBondContact O-CA 3.37Å; G237-I248 PolarHBondContact N-O 2.99Å; G237-I248 PolarHBondContact O-N 3.12Å
238I98.7Very high97.2Very high50 Ų5044.4 Ų44.426%0.25623%0.225SC..EExtended strand (participates in β ladder)trans-121.4129173.6-55.4177000108.3I148 Q149 Y245 L246 T247I148-I238 CarbonylContact C-O 3.55Å; I148-I238 VanDerWaalsContact CA-O 3.28Å; I148-I238 WeakPolarHBondContact CA-O 3.25Å; Q149-I238 HydrophobicContact CB-CB 4.24Å; Q149-I238 PolarHBondContact N-O 3.23Å; Q149-I238 PolarHBondContact O-N 2.94Å; I238-Y245 HydrophobicContact CG2-CD2 4.31Å; I238-L246 WeakPolarHBondContact CA-O 3.27Å; I238-T247 HydrophobicContact CG1-CG2 4.38Å
239V98.8Very high97.1Very high0 Ų046.8 Ų46.80%024%0.237CC..EExtended strand (participates in β ladder)trans-124.4105.9178.9-169.60000108L145 I148 F184 F188 F241 Y245 L246L145-V239 HydrophobicContact CD1-CG1 3.5Å; I148-V239 HydrophobicContact CG1-CG1 4.11Å; F184-V239 HydrophobicContact CE1-CG2 3.87Å; F184-V239 HydrophobicContact CZ-CG2 3.68Å; F188-V239 HydrophobicContact CB-CG1 3.99Å; F188-V239 HydrophobicContact CD1-CG1 4.2Å; F188-V239 HydrophobicContact CD1-CG2 4.37Å; F188-V239 HydrophobicContact CD2-CG1 4.44Å; F188-V239 HydrophobicContact CD2-CG2 3.57Å; F188-V239 HydrophobicContact CE1-CG2 4.48Å; F188-V239 HydrophobicContact CE2-CG2 3.75Å; F188-V239 HydrophobicContact CG-CG1 3.96Å; F188-V239 HydrophobicContact CG-CG2 3.92Å; F188-V239 HydrophobicContact CZ-CG2 4.19Å; V239-F241 HydrophobicContact CB-CE2 3.93Å; V239-F241 HydrophobicContact CB-CZ 4.35Å; V239-F241 HydrophobicContact CG1-CD2 4.33Å; V239-F241 HydrophobicContact CG1-CE1 4.32Å; V239-F241 HydrophobicContact CG1-CE2 3.37Å; V239-F241 HydrophobicContact CG1-CZ 3.36Å; V239-F241 WeakPolarHBondContact O-CD2 3.26Å; V239-F241 WeakPolarHBondContact O-CE2 3.46Å; V239-Y245 CarbonylContact O-C 3.53Å; V239-Y245 VanDerWaalsContact O-CA 3.24Å; V239-Y245 WeakPolarHBondContact O-CA 3.33Å; V239-Y245 WeakPolarHBondContact O-CB 3.43Å; V239-L246 HydrophobicContact CB-CB 4.22Å; V239-L246 HydrophobicContact CB-CD1 4.37Å; V239-L246 PolarHBondContact N-O 2.9Å; V239-L246 PolarHBondContact O-N 3.16Å
240A98.6Very high97.1Very high24 Ų2451.5 Ų51.520%0.19826%0.259CS..EExtended strand (participates in β ladder)trans-102.1131.1-173.200000111.9K146 M147K146-A240 PolarHBondContact N-O 3.48Å; M147-A240 PolarHBondContact N-O 3.23Å; M147-A240 WeakPolarHBondContact O-CB 3.37Å; M147-A240 PolarHBondContact O-N 3.06Å
241F98.6Very high97.3Very high15 Ų1548.1 Ų48.17%0.06624%0.243CC..EExtended strand (participates in β ladder)trans-123.3-179.6-179.2-54.4-98.8000110.9M137 M142 K144 L145 V239 G244 L246M137-F241 HydrophobicContact CE-CE1 3.68Å; M137-F241 HydrophobicContact CE-CZ 4.02Å; M137-F241 HydrophobicContact CG-CE1 3.65Å; M137-F241 HydrophobicContact CG-CZ 3.58Å; M137-F241 HydrophobicContact SD-CE1 3.9Å; M137-F241 HydrophobicContact SD-CZ 3.67Å; M142-F241 HydrophobicContact CB-CB 3.8Å; M142-F241 HydrophobicContact CB-CD1 3.78Å; M142-F241 HydrophobicContact CB-CD2 3.85Å; M142-F241 HydrophobicContact CB-CE1 4.3Å; M142-F241 HydrophobicContact CB-CE2 4.34Å; M142-F241 HydrophobicContact CB-CG 3.55Å; M142-F241 HydrophobicContact CE-CD2 3.78Å; M142-F241 HydrophobicContact CE-CE2 4.37Å; M142-F241 HydrophobicContact CE-CG 4.45Å; M142-F241 HydrophobicContact CG-CD2 4.26Å; M142-F241 HydrophobicContact CG-CE2 4.44Å; M142-F241 HydrophobicContact CG-CG 4.45Å; M142-F241 WeakPolarHBondContact O-CB 3.48Å; K144-F241 CarbonylContact O-C 3.58Å; K144-F241 WeakPolarHBondContact O-CA 3.46Å; L145-F241 HydrophobicContact CB-CD1 4.01Å; L145-F241 HydrophobicContact CB-CE1 3.99Å; L145-F241 HydrophobicContact CD1-CD1 4.07Å; L145-F241 HydrophobicContact CD1-CE1 3.77Å; L145-F241 HydrophobicContact CD1-CZ 4.02Å; L145-F241 HydrophobicContact CG-CE1 4.48Å; V239-F241 HydrophobicContact CB-CE2 3.93Å; V239-F241 HydrophobicContact CB-CZ 4.35Å; V239-F241 HydrophobicContact CG1-CD2 4.33Å; V239-F241 HydrophobicContact CG1-CE1 4.32Å; V239-F241 HydrophobicContact CG1-CE2 3.37Å; V239-F241 HydrophobicContact CG1-CZ 3.36Å; V239-F241 WeakPolarHBondContact O-CD2 3.26Å; V239-F241 WeakPolarHBondContact O-CE2 3.46Å; F241-G244 CarbonylContact C-O 3.59Å; F241-G244 WeakPolarHBondContact CA-O 3.19Å; F241-G244 PolarHBondContact N-O 3.42Å; F241-G244 VanDerWaalsContact O-O 3.12Å; F241-L246 HydrophobicContact CE2-CD1 3.83Å; F241-L246 HydrophobicContact CE2-CG 3.96Å; F241-L246 HydrophobicContact CZ-CD1 4.31Å
242E98.2Very high97.3Very high89 Ų8946.6 Ų46.642%0.41623%0.23SC..SBendtrans-65.4-37.6177.6-70.3173.2151.700113.3M142 K144 K146 N262M142-E242 PolarHBondContact O-N 2.9Å; K144-E242 HydrophobicContact CB-CG 4.12Å; K144-E242 WeakPolarHBondContact CG-OE2 3.4Å; K144-E242 PolarHBondContact N-OE2 3.43Å; K144-E242 PolarHBondContact O-N 2.86Å; K146-E242 HydrophobicContact CD-CG 4.07Å; K146-E242 HydrophobicContact CG-CG 4.36Å; E242-N262 PolarHBondContact O-ND2 3Å
243N98.3Very high97.4Very high72 Ų7242.6 Ų42.639%0.38521%0.21SC..SBendtrans-98.10.1-173.7-60.9-23.5000114.1R141 M142 G143 F261 N262R141-N243 PolarHBondContact O-ND2 3.17Å; M142-N243 WeakPolarHBondContact O-CB 3.42Å; M142-N243 PolarHBondContact O-N 3.33Å; G143-N243 PolarHBondContact N-ND2 3.41Å; N243-F261 WeakPolarHBondContact O-CA 3.35Å; N243-N262 WeakPolarHBondContact CA-ND2 3.42Å; N243-N262 PolarHBondContact O-N 3.41Å; N243-N262 VanDerWaalsContact O-N 3.12Å
244G98.3Very high97.5Very high3 Ų339.8 Ų39.83%0.03120%0.196CC..EExtended strand (participates in β ladder)trans159-166.7-175.500000113F241 F260F241-G244 CarbonylContact C-O 3.59Å; F241-G244 WeakPolarHBondContact CA-O 3.19Å; F241-G244 PolarHBondContact N-O 3.42Å; F241-G244 VanDerWaalsContact O-O 3.12Å; G244-F260 CarbonylContact C-O 3.49Å; G244-F260 WeakPolarHBondContact CA-O 3.26Å
245Y98.6Very high97.9Very high99 Ų9937.1 Ų37.139%0.38818%0.177SC..EExtended strand (participates in β ladder)trans-142.2156.7174.963.4-86.3000112I238 V239 T247 F260I238-Y245 HydrophobicContact CG2-CD2 4.31Å; V239-Y245 CarbonylContact O-C 3.53Å; V239-Y245 VanDerWaalsContact O-CA 3.24Å; V239-Y245 WeakPolarHBondContact O-CA 3.33Å; V239-Y245 WeakPolarHBondContact O-CB 3.43Å; Y245-T247 HydrophobicContact CD2-CG2 3.7Å; Y245-T247 HydrophobicContact CE2-CG2 3.6Å; Y245-F260 HydrophobicContact CD1-CB 3.94Å; Y245-F260 HydrophobicContact CD2-CB 4.25Å; Y245-F260 AromaticContact CD2-CD2 3.79Å; Y245-F260 HydrophobicContact CD2-CD2 3.79Å; Y245-F260 HydrophobicContact CD2-CG 4.32Å; Y245-F260 HydrophobicContact CE1-CB 3.5Å; Y245-F260 HydrophobicContact CE1-CG 4.09Å; Y245-F260 HydrophobicContact CE2-CB 3.85Å; Y245-F260 HydrophobicContact CE2-CD1 4.47Å; Y245-F260 AromaticContact CE2-CD2 3.26Å; Y245-F260 HydrophobicContact CE2-CD2 3.26Å; Y245-F260 AromaticContact CE2-CE2 3.89Å; Y245-F260 HydrophobicContact CE2-CE2 3.89Å; Y245-F260 AromaticContact CE2-CG 3.62Å; Y245-F260 HydrophobicContact CE2-CG 3.62Å; Y245-F260 HydrophobicContact CG-CB 4.3Å; Y245-F260 VanDerWaalsContact CZ-CB 3.45Å; Y245-F260 AromaticContact CZ-CD2 3.68Å; Y245-F260 AromaticContact CZ-CG 3.48Å; Y245-F260 VanDerWaalsContact CZ-CG 3.48Å; Y245-F260 PolarHBondContact N-O 2.75Å; Y245-F260 PolarHBondContact O-N 3.17Å
246L98.3Very high98.1Very high0 Ų038.4 Ų38.40%018%0.184CC..EExtended strand (participates in β ladder)trans-101.2146170.5-53.7171.5000109.4L133 L136 M142 I238 V239 F241 E258 I259L133-L246 HydrophobicContact CD2-CD1 4.14Å; L133-L246 HydrophobicContact CD2-CD2 4.42Å; L136-L246 HydrophobicContact CD2-CD2 4.16Å; M142-L246 HydrophobicContact CE-CD2 4.26Å; M142-L246 HydrophobicContact CE-CG 4.44Å; I238-L246 WeakPolarHBondContact CA-O 3.27Å; V239-L246 HydrophobicContact CB-CB 4.22Å; V239-L246 HydrophobicContact CB-CD1 4.37Å; V239-L246 PolarHBondContact N-O 2.9Å; V239-L246 PolarHBondContact O-N 3.16Å; F241-L246 HydrophobicContact CE2-CD1 3.83Å; F241-L246 HydrophobicContact CE2-CG 3.96Å; F241-L246 HydrophobicContact CZ-CD1 4.31Å; L246-E258 CarbonylContact C-O 3.48Å; L246-E258 VanDerWaalsContact CA-O 3.29Å; L246-E258 WeakPolarHBondContact CA-O 3.39Å; L246-I259 HydrophobicContact CD2-CB 3.99Å; L246-I259 HydrophobicContact CD2-CD1 4.17Å; L246-I259 HydrophobicContact CD2-CG1 3.57Å; L246-I259 HydrophobicContact CD2-CG2 3.79Å
247T98.6Very high98.1Very high9 Ų935.6 Ų35.66%0.05517%0.172CC..EExtended strand (participates in β ladder)trans-125.4133.9162.177.30000111.3K236 G237 I238 Y245 E258 F260K236-T247 WeakPolarHBondContact CE-OG1 3.47Å; G237-T247 WeakPolarHBondContact O-CA 3.37Å; I238-T247 HydrophobicContact CG1-CG2 4.38Å; Y245-T247 HydrophobicContact CD2-CG2 3.7Å; Y245-T247 HydrophobicContact CE2-CG2 3.6Å; T247-E258 PolarHBondContact N-O 2.7Å; T247-E258 PolarHBondContact O-N 2.9Å; T247-F260 HydrophobicContact CG2-CD2 4.24Å; T247-F260 HydrophobicContact CG2-CE2 3.83Å
248I98.7Very high98.1Very high0 Ų039.1 Ų39.10%019%0.188CC..EExtended strand (participates in β ladder)trans-129.4103.9-173.2-54.5168.1000107.4L129 Y130 L133 F184 F188 K236 G237 A254 A257L129-I248 HydrophobicContact CD2-CG2 4.24Å; Y130-I248 HydrophobicContact CE1-CD1 4.24Å; L133-I248 HydrophobicContact CD1-CD1 3.46Å; L133-I248 VanDerWaalsContact CD1-CD1 3.46Å; L133-I248 HydrophobicContact CD1-CG1 4.19Å; F184-I248 HydrophobicContact CE2-CB 4.14Å; F184-I248 HydrophobicContact CE2-CD1 3.63Å; F184-I248 HydrophobicContact CE2-CG1 4.43Å; F184-I248 HydrophobicContact CE2-CG2 4.44Å; F184-I248 HydrophobicContact CZ-CB 4.46Å; F184-I248 HydrophobicContact CZ-CD1 3.88Å; F188-I248 HydrophobicContact CE2-CD1 3.94Å; F188-I248 HydrophobicContact CZ-CD1 3.57Å; K236-I248 WeakPolarHBondContact CA-O 3.35Å; G237-I248 PolarHBondContact N-O 2.99Å; G237-I248 PolarHBondContact O-N 3.12Å; I248-A254 HydrophobicContact CG2-CB 3.4Å; I248-A257 HydrophobicContact CG1-CB 3.83Å
249D97.6Very high98.1Very high57 Ų5736.7 Ų36.731%0.30518%0.176SC..EExtended strand (participates in β ladder)trans-80.1145.9177.3-72.3-60.6000110.6K235 K236 Y251 A254K235-D249 CarbonylContact O-C 3.6Å; K236-D249 WeakPolarHBondContact CB-OD1 3.33Å; K236-D249 WeakPolarHBondContact CD-OD1 3.26Å; K236-D249 WeakPolarHBondContact CG-OD1 3.27Å; K236-D249 IonicContact NZ-OD1 3.23Å; K236-D249 PolarHBondContact NZ-OD1 2.92Å; K236-D249 IonicContact NZ-OD2 2.78Å; K236-D249 PolarHBondContact NZ-OD2 3.22Å; D249-Y251 PolarHBondContact O-N 3.15Å; D249-A254 WeakPolarHBondContact O-CB 3.46Å
250E96.3Very high98.1Very high100 Ų10037.9 Ų37.947%0.46718%0.181SC..THydrogen-bonded Turntrans4941.6-175-63.2-65124.200112.8K235 P252 R253 A254K235-E250 WeakPolarHBondContact CD-OE2 3.43Å; K235-E250 WeakPolarHBondContact CE-OE2 3.46Å; K235-E250 IonicContact NZ-OE1 2.86Å; K235-E250 IonicContact NZ-OE2 3.57Å; K235-E250 PolarHBondContact NZ-OE2 3.02Å; K235-E250 WeakPolarHBondContact O-CA 3.31Å; K235-E250 PolarHBondContact O-N 2.93Å; E250-P252 VanDerWaalsContact C-N 3.25Å; E250-P252 WeakPolarHBondContact O-CD 3.32Å; E250-R253 PolarHBondContact O-N 3.37Å; E250-A254 PolarHBondContact O-N 3.34Å
251Y97.6Very high98.1Very high0 Ų038.2 Ų38.20%018%0.178CC..G310 helixtrans-49.7-28.2-171.973.2-104000116.2I124 Y130 P151 F152 A181 F184 K235 D249 R253I124-Y251 HydrophobicContact CD1-CD2 4.04Å; I124-Y251 HydrophobicContact CD1-CE2 4.34Å; Y130-Y251 VanDerWaalsContact OH-C 3.32Å; Y130-Y251 WeakPolarHBondContact OH-CA 3.42Å; Y130-Y251 WeakPolarHBondContact OH-CB 3.44Å; Y130-Y251 PolarHBondContact OH-O 3.33Å; P151-Y251 WeakPolarHBondContact O-CE1 3.3Å; F152-Y251 WeakPolarHBondContact CB-OH 3.42Å; F152-Y251 HydrophobicContact CD1-CE2 4.37Å; F152-Y251 AromaticContact CD1-CZ 3.89Å; F152-Y251 VanDerWaalsContact CD1-OH 3.24Å; F152-Y251 WeakPolarHBondContact CD1-OH 3.27Å; A181-Y251 VanDerWaalsContact CA-OH 3.28Å; A181-Y251 WeakPolarHBondContact CA-OH 3.41Å; A181-Y251 WeakPolarHBondContact CB-OH 3.12Å; F184-Y251 HydrophobicContact CB-CD2 3.75Å; F184-Y251 HydrophobicContact CB-CE2 3.8Å; F184-Y251 AromaticContact CD2-CD2 3.58Å; F184-Y251 HydrophobicContact CD2-CD2 3.58Å; F184-Y251 HydrophobicContact CD2-CE2 4.4Å; F184-Y251 AromaticContact CD2-CG 3.71Å; F184-Y251 HydrophobicContact CD2-CG 3.71Å; F184-Y251 HydrophobicContact CE2-CD2 4.36Å; F184-Y251 HydrophobicContact CE2-CG 4.03Å; F184-Y251 AromaticContact CG-CD2 3.81Å; F184-Y251 HydrophobicContact CG-CD2 3.81Å; F184-Y251 HydrophobicContact CG-CE2 4.2Å; F184-Y251 HydrophobicContact CG-CG 4.18Å; K235-Y251 HydrophobicContact CB-CD1 4.36Å; K235-Y251 HydrophobicContact CB-CE1 4.32Å; K235-Y251 VanDerWaalsContact O-CD1 3.28Å; K235-Y251 WeakPolarHBondContact O-CD1 3.38Å; K235-Y251 PolarHBondContact O-N 3.19Å; D249-Y251 PolarHBondContact O-N 3.15Å; Y251-R253 PolarHBondContact O-N 2.74Å
252P97.1Very high98Very high10 Ų1043.3 Ų43.37%0.06521%0.206CC..G310 helixtrans-53.2-31.4175-3038.7000113.9T123 F152 Y180 K235 E250T123-P252 WeakPolarHBondContact CB-O 3.41Å; T123-P252 PolarHBondContact OG1-O 3.06Å; F152-P252 HydrophobicContact CD1-CG 4.25Å; F152-P252 HydrophobicContact CE1-CB 4.47Å; F152-P252 HydrophobicContact CE1-CG 3.37Å; F152-P252 HydrophobicContact CZ-CG 3.81Å; Y180-P252 HydrophobicContact CD1-CB 3.82Å; Y180-P252 HydrophobicContact CD2-CB 4.25Å; Y180-P252 HydrophobicContact CD2-CG 4.44Å; Y180-P252 HydrophobicContact CE1-CB 4.12Å; Y180-P252 HydrophobicContact CE2-CB 4.47Å; Y180-P252 HydrophobicContact CG-CB 3.91Å; Y180-P252 HydrophobicContact CG-CG 4.14Å; K235-P252 HydrophobicContact CD-CG 4.32Å; E250-P252 VanDerWaalsContact C-N 3.25Å; E250-P252 WeakPolarHBondContact O-CD 3.32Å
253R96.6Very high98Very high98 Ų9845 Ų4537%0.3722%0.218SC..G310 helixtrans-141.433.9-178.5-60.8-177.3-178.6176-1.7112.7T123 M127 E250 Y251 S274 A277T123-R253 HydrophobicContact CG2-CG 4.07Å; M127-R253 WeakPolarHBondContact CE-O 3.18Å; E250-R253 PolarHBondContact O-N 3.37Å; Y251-R253 PolarHBondContact O-N 2.74Å; R253-S274 WeakPolarHBondContact O-CB 3.19Å; R253-S274 PolarHBondContact O-OG 3.4Å; R253-A277 HydrophobicContact CB-CB 4.35Å; R253-A277 HydrophobicContact CG-CB 4.07Å
254A98.1Very high97.9Very high2 Ų244.2 Ų44.22%0.01723%0.227CC..  trans-66.8140.7-174.500000113.1M127 L129 I248 D249 E250M127-A254 VanDerWaalsContact CE-O 3.28Å; M127-A254 WeakPolarHBondContact CE-O 3.29Å; L129-A254 HydrophobicContact CD2-CB 3.64Å; L129-A254 WeakPolarHBondContact CD2-O 3Å; I248-A254 HydrophobicContact CG2-CB 3.4Å; D249-A254 WeakPolarHBondContact O-CB 3.46Å; E250-A254 PolarHBondContact O-N 3.34Å
255D98.2Very high97.9Very high36 Ų3647 Ų4719%0.19324%0.243CC..SBendtrans-114.40.6171.351.713.4000112.8M127 E270 S271 S274M127-D255 HydrophobicContact CE-CB 4.37Å; D255-E270 CarbonylContact O-C 3.41Å; D255-E270 WeakPolarHBondContact O-CA 3.36Å; D255-S271 WeakPolarHBondContact CA-O 3.45Å; D255-S271 PolarHBondContact O-N 3.46Å; D255-S274 PolarHBondContact OD1-OG 3.39Å; D255-S274 WeakPolarHBondContact OD2-CB 3.25Å; D255-S274 PolarHBondContact OD2-N 3.27Å; D255-S274 PolarHBondContact OD2-OG 2.87Å
256Q98.4Very high97.9Very high82 Ų8250.8 Ų50.838%0.38326%0.257SS..EExtended strand (participates in β ladder)trans-140.9153.6174.163.51770.800113.3L129 L268 I269 E270L129-Q256 WeakPolarHBondContact CD2-O 3.47Å; Q256-L268 HydrophobicContact CB-CD1 4.3Å; Q256-I269 CarbonylContact C-O 3.55Å; Q256-I269 WeakPolarHBondContact CA-O 3.01Å; Q256-E270 HydrophobicContact CB-CG 4.13Å
257A98.6Very high97.9Very high1 Ų154.1 Ų54.11%0.00827%0.272CS..EExtended strand (participates in β ladder)trans-143139.3173.200000111.1L129 L133 I248 I269L129-A257 HydrophobicContact CD1-CB 4.06Å; L129-A257 HydrophobicContact CD2-CB 4.37Å; L133-A257 HydrophobicContact CD1-CB 3.93Å; L133-A257 HydrophobicContact CD2-CB 3.92Å; L133-A257 HydrophobicContact CG-CB 4.45Å; I248-A257 HydrophobicContact CG1-CB 3.83Å; A257-I269 PolarHBondContact N-O 3.06Å; A257-I269 PolarHBondContact O-N 3.34Å
258E98.6Very high97.9Very high74 Ų7458 Ų5835%0.34629%0.292SS..EExtended strand (participates in β ladder)trans-97.3137.2171.8-70.8-176.5-131.100110.5L246 T247 F260 E267 L268L246-E258 CarbonylContact C-O 3.48Å; L246-E258 VanDerWaalsContact CA-O 3.29Å; L246-E258 WeakPolarHBondContact CA-O 3.39Å; T247-E258 PolarHBondContact N-O 2.7Å; T247-E258 PolarHBondContact O-N 2.9Å; E258-F260 HydrophobicContact CB-CD2 4.47Å; E258-F260 HydrophobicContact CB-CE2 3.59Å; E258-F260 HydrophobicContact CB-CZ 3.97Å; E258-F260 VanDerWaalsContact OE2-CZ 3.22Å; E258-F260 WeakPolarHBondContact OE2-CZ 3.31Å; E258-E267 CarbonylContact C-O 3.53Å; E258-E267 WeakPolarHBondContact CA-O 3.39Å; E258-L268 HydrophobicContact CG-CD1 3.94Å
259I98.5Very high97.8Very high0 Ų059.4 Ų59.40%030%0.299CS..EExtended strand (participates in β ladder)trans-110.9136.2175.9-37.7-177.4000109L136 M142 L246 F261 R266 E267 I269L136-I259 HydrophobicContact CD2-CD1 3.75Å; M142-I259 HydrophobicContact CE-CG2 3.73Å; M142-I259 HydrophobicContact SD-CG2 3.79Å; L246-I259 HydrophobicContact CD2-CB 3.99Å; L246-I259 HydrophobicContact CD2-CD1 4.17Å; L246-I259 HydrophobicContact CD2-CG1 3.57Å; L246-I259 HydrophobicContact CD2-CG2 3.79Å; I259-F261 HydrophobicContact CB-CE2 4.15Å; I259-F261 HydrophobicContact CB-CZ 4.46Å; I259-F261 HydrophobicContact CG2-CD2 4.22Å; I259-F261 HydrophobicContact CG2-CE1 4.15Å; I259-F261 HydrophobicContact CG2-CE2 3.62Å; I259-F261 HydrophobicContact CG2-CZ 3.57Å; I259-R266 WeakPolarHBondContact O-CA 3.28Å; I259-E267 HydrophobicContact CB-CB 4.19Å; I259-E267 HydrophobicContact CD1-CB 4.06Å; I259-E267 HydrophobicContact CG1-CB 4.19Å; I259-E267 PolarHBondContact N-O 3.49Å; I259-E267 PolarHBondContact O-N 3.2Å; I259-I269 HydrophobicContact CD1-CD1 3.61Å; I259-I269 HydrophobicContact CD1-CG1 4.02Å; I259-I269 HydrophobicContact CG1-CD1 4.36Å
260F98.5Very high97.8Very high25 Ų2563.4 Ų63.411%0.1132%0.316CS..EExtended strand (participates in β ladder)trans-125.6113.3177.4-59.5-96.5000109.2G244 Y245 T247 E258 R266G244-F260 CarbonylContact C-O 3.49Å; G244-F260 WeakPolarHBondContact CA-O 3.26Å; Y245-F260 HydrophobicContact CD1-CB 3.94Å; Y245-F260 HydrophobicContact CD2-CB 4.25Å; Y245-F260 AromaticContact CD2-CD2 3.79Å; Y245-F260 HydrophobicContact CD2-CD2 3.79Å; Y245-F260 HydrophobicContact CD2-CG 4.32Å; Y245-F260 HydrophobicContact CE1-CB 3.5Å; Y245-F260 HydrophobicContact CE1-CG 4.09Å; Y245-F260 HydrophobicContact CE2-CB 3.85Å; Y245-F260 HydrophobicContact CE2-CD1 4.47Å; Y245-F260 AromaticContact CE2-CD2 3.26Å; Y245-F260 HydrophobicContact CE2-CD2 3.26Å; Y245-F260 AromaticContact CE2-CE2 3.89Å; Y245-F260 HydrophobicContact CE2-CE2 3.89Å; Y245-F260 AromaticContact CE2-CG 3.62Å; Y245-F260 HydrophobicContact CE2-CG 3.62Å; Y245-F260 HydrophobicContact CG-CB 4.3Å; Y245-F260 VanDerWaalsContact CZ-CB 3.45Å; Y245-F260 AromaticContact CZ-CD2 3.68Å; Y245-F260 AromaticContact CZ-CG 3.48Å; Y245-F260 VanDerWaalsContact CZ-CG 3.48Å; Y245-F260 PolarHBondContact N-O 2.75Å; Y245-F260 PolarHBondContact O-N 3.17Å; T247-F260 HydrophobicContact CG2-CD2 4.24Å; T247-F260 HydrophobicContact CG2-CE2 3.83Å; E258-F260 HydrophobicContact CB-CD2 4.47Å; E258-F260 HydrophobicContact CB-CE2 3.59Å; E258-F260 HydrophobicContact CB-CZ 3.97Å; E258-F260 VanDerWaalsContact OE2-CZ 3.22Å; E258-F260 WeakPolarHBondContact OE2-CZ 3.31Å; F260-R266 HydrophobicContact CD1-CG 3.84Å; F260-R266 HydrophobicContact CE1-CG 4.17Å
261F98.4Very high97.9Very high30 Ų3059.3 Ų59.313%0.13230%0.299CS..EExtended strand (participates in β ladder)trans-89.5158178.5-65.2-81.5000111.8R141 M142 N243 I259 D263 G264 T265 E267R141-F261 HydrophobicContact CG-CE1 4.48Å; R141-F261 VanDerWaalsContact CZ-CZ 3.48Å; R141-F261 VanDerWaalsContact NH2-CZ 3.27Å; M142-F261 HydrophobicContact SD-CE1 3.72Å; M142-F261 HydrophobicContact SD-CZ 4.16Å; N243-F261 WeakPolarHBondContact O-CA 3.35Å; I259-F261 HydrophobicContact CB-CE2 4.15Å; I259-F261 HydrophobicContact CB-CZ 4.46Å; I259-F261 HydrophobicContact CG2-CD2 4.22Å; I259-F261 HydrophobicContact CG2-CE1 4.15Å; I259-F261 HydrophobicContact CG2-CE2 3.62Å; I259-F261 HydrophobicContact CG2-CZ 3.57Å; F261-D263 VanDerWaalsContact CB-OD1 3.32Å; F261-D263 WeakPolarHBondContact CB-OD1 3.36Å; F261-D263 PolarHBondContact O-N 3.5Å; F261-G264 PolarHBondContact O-N 2.81Å; F261-T265 HydrophobicContact CD2-CG2 4.18Å; F261-T265 PolarHBondContact N-O 2.96Å; F261-E267 HydrophobicContact CE2-CB 4.47Å; F261-E267 HydrophobicContact CE2-CG 4.02Å
262N97.7Very high97.9Very high123 Ų12361.1 Ų61.166%0.65832%0.318SS*.THydrogen-bonded Turntrans-62.2-25.3-179.1-69.6-19.1000114.2E242 N243 G264E242-N262 PolarHBondContact O-ND2 3Å; N243-N262 WeakPolarHBondContact CA-ND2 3.42Å; N243-N262 PolarHBondContact O-N 3.41Å; N243-N262 VanDerWaalsContact O-N 3.12Å; N262-G264 PolarHBondContact O-N 3.01Å
263D97.1Very high97.9Very high124 Ų12466.3 Ų66.366%0.66334%0.339SS*.THydrogen-bonded Turntrans-81.1-1.6177.368.7-7.5000113.1F261 T265F261-D263 VanDerWaalsContact CB-OD1 3.32Å; F261-D263 WeakPolarHBondContact CB-OD1 3.36Å; F261-D263 PolarHBondContact O-N 3.5Å; D263-T265 VanDerWaalsContact CG-OG1 3.25Å; D263-T265 WeakPolarHBondContact OD1-CB 3.35Å; D263-T265 PolarHBondContact OD1-N 3.29Å; D263-T265 PolarHBondContact OD1-OG1 2.87Å; D263-T265 PolarHBondContact OD2-OG1 3.36Å; D263-T265 VanDerWaalsContact OD2-OG1 3.05Å
264G96.9Very high97.9Very high55 Ų5563.7 Ų63.757%0.56734%0.336SS*.SBendtrans91.2-4.4-177.600000114.5F261 N262F261-G264 PolarHBondContact O-N 2.81Å; N262-G264 PolarHBondContact O-N 3.01Å
265T97.8Very high97.8Very high62 Ų6265.9 Ų65.938%0.3836%0.359SS..  trans-62143173.2-57.10000110.1F261 D263F261-T265 HydrophobicContact CD2-CG2 4.18Å; F261-T265 PolarHBondContact N-O 2.96Å; D263-T265 VanDerWaalsContact CG-OG1 3.25Å; D263-T265 WeakPolarHBondContact OD1-CB 3.35Å; D263-T265 PolarHBondContact OD1-N 3.29Å; D263-T265 PolarHBondContact OD1-OG1 2.87Å; D263-T265 PolarHBondContact OD2-OG1 3.36Å; D263-T265 VanDerWaalsContact OD2-OG1 3.05Å
266R98Very high97.7Very high179 Ų17967.2 Ų67.268%0.67537%0.366SS*.EExtended strand (participates in β ladder)trans-128.8144.1176.6-58.6-177.6-171-174.30.1110.8I259 F260I259-R266 WeakPolarHBondContact O-CA 3.28Å; F260-R266 HydrophobicContact CD1-CG 3.84Å; F260-R266 HydrophobicContact CE1-CG 4.17Å
267E98.1Very high97.7Very high70 Ų7063.4 Ų63.433%0.32735%0.348SS..EExtended strand (participates in β ladder)trans-134.6150.2175.8-67.1-179.4-174.800110.3R141 E258 I259 F261R141-E267 IonicContact CZ-OE1 3.71Å; R141-E267 IonicContact CZ-OE2 3.22Å; R141-E267 VanDerWaalsContact CZ-OE2 3.22Å; R141-E267 IonicContact NH1-OE1 3.92Å; R141-E267 IonicContact NH1-OE2 2.73Å; R141-E267 PolarHBondContact NH1-OE2 2.8Å; R141-E267 IonicContact NH2-OE1 2.64Å; R141-E267 PolarHBondContact NH2-OE1 3.3Å; R141-E267 IonicContact NH2-OE2 2.86Å; R141-E267 PolarHBondContact NH2-OE2 3.31Å; E258-E267 CarbonylContact C-O 3.53Å; E258-E267 WeakPolarHBondContact CA-O 3.39Å; I259-E267 HydrophobicContact CB-CB 4.19Å; I259-E267 HydrophobicContact CD1-CB 4.06Å; I259-E267 HydrophobicContact CG1-CB 4.19Å; I259-E267 PolarHBondContact N-O 3.49Å; I259-E267 PolarHBondContact O-N 3.2Å; F261-E267 HydrophobicContact CE2-CB 4.47Å; F261-E267 HydrophobicContact CE2-CG 4.02Å
268L98.3Very high97.6Very high91 Ų9163.8 Ų63.848%0.47635%0.35SS..EExtended strand (participates in β ladder)trans-113.5129171.8-179.269.7000107.4Q256 E258 E270Q256-L268 HydrophobicContact CB-CD1 4.3Å; E258-L268 HydrophobicContact CG-CD1 3.94Å; L268-E270 HydrophobicContact CD2-CG 3.87Å; L268-E270 HydrophobicContact CG-CG 3.95Å
269I97.9Very high97.5Very high28 Ų2861 Ų6114%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-106.8127167.7-65176.4000106.8L129 E132 L133 L136 Q256 A257 I259L129-I269 HydrophobicContact CD1-CB 4.47Å; L129-I269 HydrophobicContact CD1-CG2 3.89Å; E132-I269 HydrophobicContact CB-CG2 4.47Å; E132-I269 WeakPolarHBondContact OE2-CG2 3.35Å; L133-I269 HydrophobicContact CD2-CD1 3.84Å; L136-I269 HydrophobicContact CD2-CD1 4.06Å; Q256-I269 CarbonylContact C-O 3.55Å; Q256-I269 WeakPolarHBondContact CA-O 3.01Å; A257-I269 PolarHBondContact N-O 3.06Å; A257-I269 PolarHBondContact O-N 3.34Å; I259-I269 HydrophobicContact CD1-CD1 3.61Å; I259-I269 HydrophobicContact CD1-CG1 4.02Å; I259-I269 HydrophobicContact CG1-CD1 4.36Å
270E98.2Very high97.5Very high141 Ų14162.6 Ų62.666%0.65934%0.344SS*.EExtended strand (participates in β ladder)trans-120.9125173.3-65.1177.498.800108.1D255 Q256 L268D255-E270 CarbonylContact O-C 3.41Å; D255-E270 WeakPolarHBondContact O-CA 3.36Å; Q256-E270 HydrophobicContact CB-CG 4.13Å; L268-E270 HydrophobicContact CD2-CG 3.87Å; L268-E270 HydrophobicContact CG-CG 3.95Å
271S98.1Very high97.4Very high14 Ų1461.7 Ų61.710%0.09834%0.34CS..  trans-155.5124.6-179-171.40000112.4P128 L129 E132 D255P128-S271 VanDerWaalsContact CB-OG 3.29Å; P128-S271 WeakPolarHBondContact CB-OG 3.5Å; L129-S271 PolarHBondContact N-O 3.12Å; E132-S271 WeakPolarHBondContact OE1-CB 3.38Å; E132-S271 PolarHBondContact OE1-OG 3.34Å; D255-S271 WeakPolarHBondContact CA-O 3.45Å; D255-S271 PolarHBondContact O-N 3.46Å
272G97.2Very high97.4Very high39 Ų3960.2 Ų60.240%0.40233%0.334SS..SBendtrans80-165-174.400000113Y280G272-Y280 VanDerWaalsContact CA-OH 3.26Å; G272-Y280 WeakPolarHBondContact CA-OH 3.44Å
273F97.2Very high97.3Very high118 Ų11858.2 Ų58.252%0.51832%0.32SS..  trans-144.3127.2177.5176.1-125.5000110G275 N276 Y280F273-G275 PolarHBondContact O-N 2.87Å; F273-G275 VanDerWaalsContact O-N 3.13Å; F273-N276 HydrophobicContact CB-CB 4.5Å; F273-N276 HydrophobicContact CD1-CB 4.35Å; F273-N276 PolarHBondContact O-N 3.3Å; F273-Y280 PolarHBondContact N-OH 2.82Å; F273-Y280 VanDerWaalsContact N-OH 3.07Å
274S96.7Very high97.3Very high43 Ų4352.8 Ų52.830%0.30129%0.291SS..G310 helixtrans-54.4-35.2-176.3-61.10000113.3R253 D255 N276 A277R253-S274 WeakPolarHBondContact O-CB 3.19Å; R253-S274 PolarHBondContact O-OG 3.4Å; D255-S274 PolarHBondContact OD1-OG 3.39Å; D255-S274 WeakPolarHBondContact OD2-CB 3.25Å; D255-S274 PolarHBondContact OD2-N 3.27Å; D255-S274 PolarHBondContact OD2-OG 2.87Å; S274-N276 PolarHBondContact O-N 2.81Å; S274-A277 WeakPolarHBondContact O-CB 3.43Å; S274-A277 PolarHBondContact O-N 2.71Å
275G95.8Very high97.3Very high48 Ų4850.1 Ų50.150%0.49526%0.264SS..G310 helixtrans-67.6-21.3177.900000114F273F273-G275 PolarHBondContact O-N 2.87Å; F273-G275 VanDerWaalsContact O-N 3.13Å
276N96.4Very high97.2Very high64 Ų6447.4 Ų47.434%0.34225%0.247SC..G310 helixtrans-959.5-179.6-75.1-6.3000113.5F273 S274 M278 N279 Y280F273-N276 HydrophobicContact CB-CB 4.5Å; F273-N276 HydrophobicContact CD1-CB 4.35Å; F273-N276 PolarHBondContact O-N 3.3Å; S274-N276 PolarHBondContact O-N 2.81Å; N276-M278 VanDerWaalsContact C-N 3.29Å; N276-M278 PolarHBondContact O-N 2.53Å; N276-M278 VanDerWaalsContact O-N 3.15Å; N276-N279 WeakPolarHBondContact O-CA 3.24Å; N276-N279 WeakPolarHBondContact O-CB 3.33Å; N276-N279 PolarHBondContact O-N 3.4Å; N276-Y280 HydrophobicContact CB-CD2 4.42Å; N276-Y280 HydrophobicContact CB-CE2 3.76Å; N276-Y280 VanDerWaalsContact O-CD2 3.31Å; N276-Y280 WeakPolarHBondContact O-CD2 3.28Å; N276-Y280 PolarHBondContact O-N 3.13Å; N276-Y280 VanDerWaalsContact O-N 3.16Å
277A97.2Very high97.2Very high2 Ų240.9 Ų40.92%0.01722%0.224CC..Hα-helixtrans-50.1-45.1-173.200000113.9T123 M127 R253 S274 Y280 E281T123-A277 HydrophobicContact CG2-CB 3.78Å; M127-A277 HydrophobicContact SD-CB 3.6Å; M127-A277 VanDerWaalsContact SD-CB 3.6Å; R253-A277 HydrophobicContact CB-CB 4.35Å; R253-A277 HydrophobicContact CG-CB 4.07Å; S274-A277 WeakPolarHBondContact O-CB 3.43Å; S274-A277 PolarHBondContact O-N 2.71Å; A277-Y280 PolarHBondContact O-N 3.04Å; A277-E281 PolarHBondContact O-N 3.03Å
278M96.7Very high97.1Very high10 Ų1038.3 Ų38.35%0.04921%0.212CC..Hα-helixtrans-68.2-34.9177.8-68.4173.5176.800112.7I14 F18 N276 Y280 E281 I282I14-M278 HydrophobicContact CD1-CE 3.48Å; I14-M278 VanDerWaalsContact CD1-CE 3.48Å; I14-M278 HydrophobicContact CG1-CE 4.41Å; F18-M278 HydrophobicContact CB-SD 4.32Å; F18-M278 HydrophobicContact CD2-SD 4.45Å; N276-M278 VanDerWaalsContact C-N 3.29Å; N276-M278 PolarHBondContact O-N 2.53Å; N276-M278 VanDerWaalsContact O-N 3.15Å; M278-Y280 VanDerWaalsContact C-N 3.3Å; M278-Y280 PolarHBondContact O-N 2.96Å; M278-E281 WeakPolarHBondContact O-CB 3.39Å; M278-E281 PolarHBondContact O-N 3.44Å; M278-I282 WeakPolarHBondContact O-CG1 3.39Å; M278-I282 PolarHBondContact O-N 3.07Å
279N97.5Very high97.1Very high15 Ų1535.9 Ų35.98%0.0820%0.199CC..Hα-helixtrans-66.8-32177.9-77.2-55.9000112.3S21 D23 Q24 N276 I282 E283S21-N279 PolarHBondContact O-ND2 2.96Å; S21-N279 PolarHBondContact O-OD1 3.15Å; D23-N279 PolarHBondContact N-OD1 3.36Å; D23-N279 PolarHBondContact O-OD1 2.99Å; Q24-N279 PolarHBondContact NE2-O 3.18Å; Q24-N279 VanDerWaalsContact NE2-O 3.15Å; Q24-N279 PolarHBondContact NE2-OD1 2.9Å; N276-N279 WeakPolarHBondContact O-CA 3.24Å; N276-N279 WeakPolarHBondContact O-CB 3.33Å; N276-N279 PolarHBondContact O-N 3.4Å; N279-I282 PolarHBondContact O-N 3.11Å; N279-E283 WeakPolarHBondContact O-CB 3.49Å; N279-E283 PolarHBondContact O-N 3.17Å
280Y97.3Very high96.9Very high34 Ų3437.5 Ų37.513%0.13321%0.206CC..Hα-helixtrans-67.7-36.3172.4-58.4-53000112.3N126 M127 P128 G272 F273 N276 A277 M278 E283 H284N126-Y280 WeakPolarHBondContact O-CB 3.42Å; M127-Y280 HydrophobicContact CE-CE2 4.27Å; M127-Y280 HydrophobicContact SD-CD2 3.83Å; M127-Y280 HydrophobicContact SD-CE2 4.16Å; P128-Y280 HydrophobicContact CG-CD1 4.05Å; P128-Y280 HydrophobicContact CG-CD2 4.33Å; P128-Y280 HydrophobicContact CG-CE1 3.72Å; P128-Y280 HydrophobicContact CG-CE2 4.04Å; P128-Y280 HydrophobicContact CG-CG 4.35Å; G272-Y280 VanDerWaalsContact CA-OH 3.26Å; G272-Y280 WeakPolarHBondContact CA-OH 3.44Å; F273-Y280 PolarHBondContact N-OH 2.82Å; F273-Y280 VanDerWaalsContact N-OH 3.07Å; N276-Y280 HydrophobicContact CB-CD2 4.42Å; N276-Y280 HydrophobicContact CB-CE2 3.76Å; N276-Y280 VanDerWaalsContact O-CD2 3.31Å; N276-Y280 WeakPolarHBondContact O-CD2 3.28Å; N276-Y280 PolarHBondContact O-N 3.13Å; N276-Y280 VanDerWaalsContact O-N 3.16Å; A277-Y280 PolarHBondContact O-N 3.04Å; M278-Y280 VanDerWaalsContact C-N 3.3Å; M278-Y280 PolarHBondContact O-N 2.96Å; Y280-E283 PolarHBondContact O-N 3.28Å; Y280-H284 PolarHBondContact O-N 3.08Å
281E97.2Very high96.8Very high5 Ų533.9 Ų33.92%0.02321%0.207CC..Hα-helixtrans-64-44.3173.9-61.5173.3147.500111.1M122 T123 N126 A277 M278 M285M122-E281 PolarHBondContact N-OE1 3.27Å; M122-E281 VanDerWaalsContact N-OE1 3.15Å; T123-E281 VanDerWaalsContact CA-OE1 3.26Å; T123-E281 WeakPolarHBondContact CA-OE1 3.5Å; T123-E281 WeakPolarHBondContact CG2-OE1 3.42Å; T123-E281 PolarHBondContact N-OE1 3.4Å; N126-E281 HydrophobicContact CB-CB 4.48Å; N126-E281 HydrophobicContact CB-CG 3.74Å; A277-E281 PolarHBondContact O-N 3.03Å; M278-E281 WeakPolarHBondContact O-CB 3.39Å; M278-E281 PolarHBondContact O-N 3.44Å; E281-M285 WeakPolarHBondContact O-CB 3.45Å; E281-M285 PolarHBondContact O-N 3.21Å
282I97.2Very high96.7Very high0 Ų038.7 Ų38.70%023%0.228CC..Hα-helixtrans-63.3-47176.6-63.5160000110.7W6 F18 F22 Q24 M278 N279 H284 M285 V286W6-I282 HydrophobicContact CH2-CB 4.43Å; W6-I282 HydrophobicContact CH2-CG1 4.22Å; W6-I282 HydrophobicContact CH2-CG2 4.13Å; W6-I282 HydrophobicContact CZ2-CB 4.36Å; W6-I282 HydrophobicContact CZ2-CG1 4.49Å; W6-I282 HydrophobicContact CZ2-CG2 3.59Å; F18-I282 HydrophobicContact CE2-CD1 3.69Å; F18-I282 HydrophobicContact CE2-CG1 3.75Å; F18-I282 HydrophobicContact CZ-CD1 3.76Å; F18-I282 HydrophobicContact CZ-CG1 3.84Å; F22-I282 HydrophobicContact CD2-CD1 3.53Å; F22-I282 HydrophobicContact CE2-CD1 3.69Å; F22-I282 HydrophobicContact CE2-CG1 4.29Å; F22-I282 HydrophobicContact CE2-CG2 4.32Å; F22-I282 HydrophobicContact CG-CD1 4.29Å; F22-I282 HydrophobicContact CZ-CG2 4.37Å; Q24-I282 HydrophobicContact CG-CB 4.28Å; Q24-I282 HydrophobicContact CG-CD1 4.4Å; Q24-I282 HydrophobicContact CG-CG2 3.56Å; M278-I282 WeakPolarHBondContact O-CG1 3.39Å; M278-I282 PolarHBondContact O-N 3.07Å; N279-I282 PolarHBondContact O-N 3.11Å; I282-H284 PolarHBondContact O-N 3.45Å; I282-M285 WeakPolarHBondContact O-CB 3.43Å; I282-M285 PolarHBondContact O-N 3.39Å; I282-M285 VanDerWaalsContact O-N 3.16Å; I282-V286 WeakPolarHBondContact O-CG2 3.37Å; I282-V286 PolarHBondContact O-N 2.99Å
283E96.3Very high96.5Very high81 Ų8139 Ų3938%0.37922%0.22SC..Hα-helixtrans-58.8-47.9178.9-176.3-177.1177.200111.4N279 Y280 M285 V286 Q287N279-E283 WeakPolarHBondContact O-CB 3.49Å; N279-E283 PolarHBondContact O-N 3.17Å; Y280-E283 PolarHBondContact O-N 3.28Å; E283-M285 VanDerWaalsContact C-N 3.31Å; E283-M285 PolarHBondContact O-N 3.35Å; E283-V286 WeakPolarHBondContact O-CB 3.38Å; E283-V286 PolarHBondContact O-N 3.18Å; E283-Q287 WeakPolarHBondContact O-CG 3.29Å; E283-Q287 PolarHBondContact O-N 2.59Å; E283-Q287 PolarHBondContact OE1-NE2 3.36Å
284H96.5Very high96.4Very high9 Ų937.5 Ų37.54%0.04222%0.222CC..Hα-helixtrans-63.8-37.5176.4-70.5171.8000112N126 K131 Y280 I282 V286 Q287 M288 M293N126-H284 PolarHBondContact O-CE1 3.05Å; N126-H284 PolarHBondContact OD1-ND1 3.34Å; K131-H284 WeakPolarHBondContact CE-CE1 3.4Å; K131-H284 WeakPolarHBondContact CE-NE2 3.28Å; K131-H284 PolarHBondContact NZ-CE1 3.01Å; K131-H284 PolarHBondContact NZ-NE2 3.29Å; Y280-H284 PolarHBondContact O-N 3.08Å; I282-H284 PolarHBondContact O-N 3.45Å; H284-V286 VanDerWaalsContact C-N 3.3Å; H284-V286 PolarHBondContact O-N 2.76Å; H284-Q287 PolarHBondContact O-N 3.2Å; H284-M288 HydrophobicContact CB-CE 4.41Å; H284-M288 WeakPolarHBondContact O-CB 3.41Å; H284-M288 WeakPolarHBondContact O-CE 3.39Å; H284-M288 WeakPolarHBondContact O-CG 3.44Å; H284-M288 PolarHBondContact O-N 2.82Å; H284-M293 HydrophobicContact CB-CE 4.47Å; H284-M293 HydrophobicContact CB-SD 3.95Å
285M97.5Very high96.3Very high0 Ų037.6 Ų37.60%022%0.219CC..Hα-helixtrans-57.4-45.9174.1-169.466.7-178.800111.2W6 I67 H90 V91 L92 V117 A119 E281 I282 E283 M288 I289W6-M285 HydrophobicContact CH2-CB 3.9Å; W6-M285 HydrophobicContact CH2-CG 3.75Å; W6-M285 HydrophobicContact CZ2-CB 4.16Å; W6-M285 HydrophobicContact CZ2-CG 4.08Å; I67-M285 HydrophobicContact CD1-CG 4.41Å; I67-M285 HydrophobicContact CG2-CE 4.12Å; I67-M285 HydrophobicContact CG2-CG 4.43Å; H90-M285 HydrophobicContact CB-CE 3.63Å; V91-M285 WeakPolarHBondContact O-CE 3.44Å; L92-M285 HydrophobicContact CB-SD 4.44Å; V117-M285 HydrophobicContact CB-CE 3.92Å; V117-M285 HydrophobicContact CG1-CE 3.68Å; V117-M285 HydrophobicContact CG1-SD 3.67Å; A119-M285 HydrophobicContact CB-SD 3.91Å; E281-M285 WeakPolarHBondContact O-CB 3.45Å; E281-M285 PolarHBondContact O-N 3.21Å; I282-M285 WeakPolarHBondContact O-CB 3.43Å; I282-M285 PolarHBondContact O-N 3.39Å; I282-M285 VanDerWaalsContact O-N 3.16Å; E283-M285 VanDerWaalsContact C-N 3.31Å; E283-M285 PolarHBondContact O-N 3.35Å; M285-M288 HydrophobicContact CB-CE 4.49Å; M285-M288 PolarHBondContact O-N 2.87Å; M285-M288 HydrophobicContact SD-CE 4.04Å; M285-I289 HydrophobicContact CE-CD1 4.11Å; M285-I289 HydrophobicContact CG-CD1 4.11Å; M285-I289 WeakPolarHBondContact O-CD1 3.49Å; M285-I289 VanDerWaalsContact O-CG1 3.25Å; M285-I289 WeakPolarHBondContact O-CG1 3.43Å; M285-I289 PolarHBondContact O-N 2.9Å
286V96.6Very high96.2Very high4 Ų441.9 Ų41.92%0.02422%0.224CC..Hα-helixtrans-62.5-48.7176.4173.70000111.4L4 S27 I282 E283 H284 M288 I289 Q290L4-V286 HydrophobicContact CD1-CB 4.2Å; L4-V286 HydrophobicContact CD1-CG1 3.88Å; L4-V286 HydrophobicContact CD1-CG2 3.91Å; S27-V286 VanDerWaalsContact OG-CG2 3.25Å; S27-V286 WeakPolarHBondContact OG-CG2 3.3Å; I282-V286 WeakPolarHBondContact O-CG2 3.37Å; I282-V286 PolarHBondContact O-N 2.99Å; E283-V286 WeakPolarHBondContact O-CB 3.38Å; E283-V286 PolarHBondContact O-N 3.18Å; H284-V286 VanDerWaalsContact C-N 3.3Å; H284-V286 PolarHBondContact O-N 2.76Å; V286-M288 VanDerWaalsContact C-N 3.31Å; V286-M288 PolarHBondContact O-N 3.33Å; V286-I289 PolarHBondContact O-N 2.91Å; V286-Q290 HydrophobicContact CG1-CG 4.36Å; V286-Q290 WeakPolarHBondContact O-CB 3.49Å; V286-Q290 VanDerWaalsContact O-CG 3.32Å; V286-Q290 WeakPolarHBondContact O-CG 3.47Å; V286-Q290 PolarHBondContact O-N 2.86Å
287Q96.5Very high96.1Very high42 Ų4239.3 Ų39.320%0.19621%0.211CC..Hα-helixtrans-61.5-37.7179.5-70.8171.7-500112.1E283 H284 Q290 G291 E292 M293E283-Q287 WeakPolarHBondContact O-CG 3.29Å; E283-Q287 PolarHBondContact O-N 2.59Å; E283-Q287 PolarHBondContact OE1-NE2 3.36Å; H284-Q287 PolarHBondContact O-N 3.2Å; Q287-Q290 PolarHBondContact O-N 3.18Å; Q287-G291 PolarHBondContact O-N 3.35Å; Q287-E292 HydrophobicContact CB-CB 4.23Å; Q287-E292 PolarHBondContact O-N 2.82Å; Q287-M293 HydrophobicContact CB-CB 4.46Å; Q287-M293 HydrophobicContact CB-CG 3.7Å; Q287-M293 HydrophobicContact CB-SD 3.84Å; Q287-M293 PolarHBondContact O-N 3.01Å; Q287-M293 PolarHBondContact OE1-SD 3.42Å
288M97.3Very high96.1Very high17 Ų1740.5 Ų40.58%0.08422%0.217CC..Hα-helixtrans-65.1-45.4175-73.8-176.5-6800111.9V117 A119 H284 M285 V286 Q290 G291 M293 N295V117-M288 HydrophobicContact CG1-CB 4.06Å; V117-M288 HydrophobicContact CG1-CE 4.29Å; V117-M288 HydrophobicContact CG1-SD 4.4Å; V117-M288 HydrophobicContact CG2-CB 4.38Å; A119-M288 HydrophobicContact CB-CE 3.94Å; H284-M288 HydrophobicContact CB-CE 4.41Å; H284-M288 WeakPolarHBondContact O-CB 3.41Å; H284-M288 WeakPolarHBondContact O-CE 3.39Å; H284-M288 WeakPolarHBondContact O-CG 3.44Å; H284-M288 PolarHBondContact O-N 2.82Å; M285-M288 HydrophobicContact CB-CE 4.49Å; M285-M288 PolarHBondContact O-N 2.87Å; M285-M288 HydrophobicContact SD-CE 4.04Å; V286-M288 VanDerWaalsContact C-N 3.31Å; V286-M288 PolarHBondContact O-N 3.33Å; M288-Q290 VanDerWaalsContact C-N 3.3Å; M288-Q290 PolarHBondContact O-N 2.83Å; M288-G291 PolarHBondContact O-N 2.86Å; M288-M293 WeakPolarHBondContact CA-O 3.17Å; M288-M293 HydrophobicContact CG-CG 3.71Å; M288-M293 HydrophobicContact CG-SD 4.34Å; M288-N295 HydrophobicContact CG-CB 4.34Å; M288-N295 WeakPolarHBondContact SD-CA 3.15Å; M288-N295 HydrophobicContact SD-CB 3.47Å; M288-N295 WeakPolarHBondContact SD-CB 3.21Å; M288-N295 PolarHBondContact SD-OD1 3.19Å
289I97.2Very high96.1Very high39 Ų3945.7 Ų45.720%0.224%0.239CC..Hα-helixtrans-63.8-37.8177.9-68.7166.3000111.2L4 I67 H90 V117 M285 V286 G291L4-I289 HydrophobicContact CD1-CD1 4.34Å; L4-I289 HydrophobicContact CD1-CG2 4.32Å; L4-I289 HydrophobicContact CD2-CG2 4.38Å; I67-I289 HydrophobicContact CD1-CD1 3.36Å; I67-I289 HydrophobicContact CG1-CD1 3.64Å; H90-I289 HydrophobicContact CB-CD1 3.87Å; H90-I289 HydrophobicContact CB-CG1 4.31Å; V117-I289 HydrophobicContact CB-CG1 4.03Å; V117-I289 HydrophobicContact CG2-CG1 3.79Å; M285-I289 HydrophobicContact CE-CD1 4.11Å; M285-I289 HydrophobicContact CG-CD1 4.11Å; M285-I289 WeakPolarHBondContact O-CD1 3.49Å; M285-I289 VanDerWaalsContact O-CG1 3.25Å; M285-I289 WeakPolarHBondContact O-CG1 3.43Å; M285-I289 PolarHBondContact O-N 2.9Å; V286-I289 PolarHBondContact O-N 2.91Å; I289-G291 PolarHBondContact O-N 2.87Å
290Q95.2Very high96.1Very high62 Ų6246 Ų4629%0.2924%0.24SC..THydrogen-bonded Turntrans-78.6-5179.7-68.5174.5-8.300113.3V286 Q287 M288 E292V286-Q290 HydrophobicContact CG1-CG 4.36Å; V286-Q290 WeakPolarHBondContact O-CB 3.49Å; V286-Q290 VanDerWaalsContact O-CG 3.32Å; V286-Q290 WeakPolarHBondContact O-CG 3.47Å; V286-Q290 PolarHBondContact O-N 2.86Å; Q287-Q290 PolarHBondContact O-N 3.18Å; M288-Q290 VanDerWaalsContact C-N 3.3Å; M288-Q290 PolarHBondContact O-N 2.83Å; Q290-E292 HydrophobicContact CB-CG 3.96Å; Q290-E292 PolarHBondContact O-N 2.79Å; Q290-E292 PolarHBondContact OE1-OE1 2.7Å
291G95.3Very high96.1Very high66 Ų6644.4 Ų44.468%0.6823%0.234SC*.THydrogen-bonded Turntrans73.814.5-178.100000114Q287 M288 I289Q287-G291 PolarHBondContact O-N 3.35Å; M288-G291 PolarHBondContact O-N 2.86Å; I289-G291 PolarHBondContact O-N 2.87Å
292E95.6Very high96.2Very high115 Ų11548 Ų4854%0.53725%0.249SC..SBendtrans-78.8-24.5179.3-60.6-176.5167.500111.8Q287 Q290Q287-E292 HydrophobicContact CB-CB 4.23Å; Q287-E292 PolarHBondContact O-N 2.82Å; Q290-E292 HydrophobicContact CB-CG 3.96Å; Q290-E292 PolarHBondContact O-N 2.79Å; Q290-E292 PolarHBondContact OE1-OE1 2.7Å
293M94.2Very high96.2Very high46 Ų4648.1 Ų48.123%0.22725%0.25CS..SBendtrans-142.5148.9172.674.9178.5-76.800113H284 Q287 M288H284-M293 HydrophobicContact CB-CE 4.47Å; H284-M293 HydrophobicContact CB-SD 3.95Å; Q287-M293 HydrophobicContact CB-CB 4.46Å; Q287-M293 HydrophobicContact CB-CG 3.7Å; Q287-M293 HydrophobicContact CB-SD 3.84Å; Q287-M293 PolarHBondContact O-N 3.01Å; Q287-M293 PolarHBondContact OE1-SD 3.42Å; M288-M293 WeakPolarHBondContact CA-O 3.17Å; M288-M293 HydrophobicContact CG-CG 3.71Å; M288-M293 HydrophobicContact CG-SD 4.34Å
294P94.9Very high96.3Very high86 Ų8644.3 Ų44.356%0.55823%0.232SC*.  trans-73.8151.8172.130.3-34000111.8K296P294-K296 VanDerWaalsContact C-N 3.26Å; P294-K296 HydrophobicContact CG-CG 4.12Å; P294-K296 PolarHBondContact O-N 2.84Å
295N94.5Very high96.4Very high45 Ų4544 Ų4424%0.24123%0.231CC..  trans-7772.2174.8-170.4-8.1000112.3L118 M288 S297 L298L118-N295 PolarHBondContact O-ND2 3.19Å; M288-N295 HydrophobicContact CG-CB 4.34Å; M288-N295 WeakPolarHBondContact SD-CA 3.15Å; M288-N295 HydrophobicContact SD-CB 3.47Å; M288-N295 WeakPolarHBondContact SD-CB 3.21Å; M288-N295 PolarHBondContact SD-OD1 3.19Å; N295-S297 VanDerWaalsContact C-N 3.31Å; N295-S297 PolarHBondContact OD1-OG 3.16Å; N295-L298 VanDerWaalsContact OD1-CB 3.3Å; N295-L298 WeakPolarHBondContact OD1-CB 3.29Å; N295-L298 PolarHBondContact OD1-N 2.6Å
296K93Very high96.4Very high138 Ų13845.8 Ų45.860%0.624%0.24SC*.Hα-helixtrans-72.3-24175.8-66.9-174.6179.8-176.50112.7P294 F299 F300P294-K296 VanDerWaalsContact C-N 3.26Å; P294-K296 HydrophobicContact CG-CG 4.12Å; P294-K296 PolarHBondContact O-N 2.84Å; K296-F299 WeakPolarHBondContact O-CB 3.46Å; K296-F299 PolarHBondContact O-N 3.11Å; K296-F300 VanDerWaalsContact O-CD2 3.24Å; K296-F300 WeakPolarHBondContact O-CD2 3.36Å; K296-F300 PolarHBondContact O-N 3.08Å
297S95.4Very high96.5Very high10 Ų1045.6 Ų45.67%0.0724%0.239CC..Hα-helixtrans-65.5-42.4-179.453.90000111.1N295 F299 F300 T301N295-S297 VanDerWaalsContact C-N 3.31Å; N295-S297 PolarHBondContact OD1-OG 3.16Å; S297-F299 VanDerWaalsContact C-N 3.26Å; S297-F299 PolarHBondContact O-N 2.91Å; S297-F300 PolarHBondContact O-N 3.22Å; S297-F300 VanDerWaalsContact O-N 3.08Å; S297-T301 PolarHBondContact O-N 3.49Å; S297-T301 PolarHBondContact O-OG1 3.4Å
298L97.1Very high96.5Very high26 Ų2643.7 Ų43.714%0.13623%0.23CC..Hα-helixtrans-61.7-32.8178.3-171.863.9000113.1L104 I108 N295 T301 K302L104-L298 HydrophobicContact CD1-CD1 4.26Å; I108-L298 HydrophobicContact CD1-CD1 4.17Å; I108-L298 HydrophobicContact CD1-CD2 4.44Å; I108-L298 HydrophobicContact CD1-CG 4.21Å; I108-L298 HydrophobicContact CG1-CD1 4.11Å; I108-L298 HydrophobicContact CG1-CD2 4.08Å; I108-L298 HydrophobicContact CG1-CG 4.28Å; N295-L298 VanDerWaalsContact OD1-CB 3.3Å; N295-L298 WeakPolarHBondContact OD1-CB 3.29Å; N295-L298 PolarHBondContact OD1-N 2.6Å; L298-T301 PolarHBondContact O-N 3.16Å; L298-K302 PolarHBondContact O-N 2.92Å
299F95.9Very high96.5Very high119 Ų11944 Ų4452%0.52223%0.233SC..Hα-helixtrans-59.6-50.1172.1168.4-93.8000111.2K296 S297 K302 D303K296-F299 WeakPolarHBondContact O-CB 3.46Å; K296-F299 PolarHBondContact O-N 3.11Å; S297-F299 VanDerWaalsContact C-N 3.26Å; S297-F299 PolarHBondContact O-N 2.91Å; F299-K302 PolarHBondContact O-N 3.49Å; F299-D303 PolarHBondContact O-N 3.4Å
300F97.3Very high96.6Very high22 Ų2244.2 Ų44.210%0.09623%0.232CC..Hα-helixtrans-67.8-39.3177.3-68.4-67.3000112.5F125 R186 W187 K296 S297 K302 D303 V304F125-F300 HydrophobicContact CD1-CB 4.37Å; F125-F300 HydrophobicContact CD2-CB 4.35Å; F125-F300 HydrophobicContact CE1-CB 3.82Å; F125-F300 HydrophobicContact CE1-CG 4.41Å; F125-F300 HydrophobicContact CE2-CB 3.8Å; F125-F300 HydrophobicContact CZ-CB 3.5Å; R186-F300 HydrophobicContact CG-CD1 4.11Å; W187-F300 AromaticContact CE3-CD2 3.83Å; W187-F300 HydrophobicContact CE3-CD2 3.83Å; W187-F300 AromaticContact CE3-CE2 3.74Å; W187-F300 HydrophobicContact CE3-CE2 3.74Å; W187-F300 HydrophobicContact CE3-CG 4.34Å; W187-F300 HydrophobicContact CE3-CZ 4.16Å; W187-F300 HydrophobicContact CH2-CE2 4.42Å; W187-F300 AromaticContact CZ3-CD2 3.71Å; W187-F300 HydrophobicContact CZ3-CD2 3.71Å; W187-F300 AromaticContact CZ3-CE2 3.53Å; W187-F300 HydrophobicContact CZ3-CE2 3.53Å; W187-F300 HydrophobicContact CZ3-CZ 4.32Å; K296-F300 VanDerWaalsContact O-CD2 3.24Å; K296-F300 WeakPolarHBondContact O-CD2 3.36Å; K296-F300 PolarHBondContact O-N 3.08Å; S297-F300 PolarHBondContact O-N 3.22Å; S297-F300 VanDerWaalsContact O-N 3.08Å; F300-K302 VanDerWaalsContact C-N 3.28Å; F300-K302 PolarHBondContact O-N 3.42Å; F300-D303 PolarHBondContact O-N 2.88Å; F300-V304 VanDerWaalsContact O-CG2 3.29Å; F300-V304 WeakPolarHBondContact O-CG2 3.24Å; F300-V304 PolarHBondContact O-N 3.18Å
301T98.1Very high96.7Very high0 Ų041.2 Ų41.20%022%0.219CC..Hα-helixtrans-55.7-44174.6-68.90000111.1I97 L104 E120 S297 L298 D303 V304 I305I97-T301 HydrophobicContact CB-CG2 4.45Å; I97-T301 HydrophobicContact CG2-CG2 3.48Å; I97-T301 VanDerWaalsContact CG2-CG2 3.48Å; L104-T301 HydrophobicContact CD2-CG2 3.93Å; E120-T301 HydrophobicContact CB-CG2 4.05Å; E120-T301 WeakPolarHBondContact OE2-CB 3.49Å; E120-T301 WeakPolarHBondContact OE2-CG2 3.45Å; E120-T301 PolarHBondContact OE2-OG1 3.36Å; S297-T301 PolarHBondContact O-N 3.49Å; S297-T301 PolarHBondContact O-OG1 3.4Å; L298-T301 PolarHBondContact O-N 3.16Å; T301-D303 PolarHBondContact O-N 3.26Å; T301-V304 PolarHBondContact O-N 2.98Å; T301-I305 HydrophobicContact CG2-CG1 4.31Å; T301-I305 WeakPolarHBondContact O-CG1 3.4Å; T301-I305 PolarHBondContact O-N 3.24Å
302K97.9Very high96.8Very high80 Ų8039.8 Ų39.835%0.34819%0.194SC..Hα-helixtrans-59.9-46176.7179.2176.2163.6-74.70112.3L101 L104 I108 L298 F299 F300 V304 I305 D306L101-K302 HydrophobicContact CD1-CG 3.84Å; L104-K302 HydrophobicContact CD2-CB 4.23Å; I108-K302 HydrophobicContact CD1-CD 4.47Å; L298-K302 PolarHBondContact O-N 2.92Å; F299-K302 PolarHBondContact O-N 3.49Å; F300-K302 VanDerWaalsContact C-N 3.28Å; F300-K302 PolarHBondContact O-N 3.42Å; K302-V304 VanDerWaalsContact C-N 3.33Å; K302-I305 PolarHBondContact O-N 3.4Å; K302-D306 WeakPolarHBondContact O-CB 3.39Å; K302-D306 PolarHBondContact O-N 3.23Å
303D97.8Very high96.8Very high4 Ų439 Ų392%0.02119%0.19CC..Hα-helixtrans-63.4-40.1176.7-72.21.5000111.4R186 Q192 F299 F300 T301 D306 I307R186-D303 HydrophobicContact CG-CB 3.96Å; R186-D303 IonicContact CZ-OD2 3.36Å; R186-D303 VanDerWaalsContact CZ-OD2 3.26Å; R186-D303 IonicContact NE-OD2 3.33Å; R186-D303 PolarHBondContact NE-OD2 3.28Å; R186-D303 IonicContact NH2-OD2 2.82Å; R186-D303 PolarHBondContact NH2-OD2 2.91Å; Q192-D303 HydrophobicContact CG-CB 4.16Å; Q192-D303 PolarHBondContact OE1-OD1 3.43Å; F299-D303 PolarHBondContact O-N 3.4Å; F300-D303 PolarHBondContact O-N 2.88Å; T301-D303 PolarHBondContact O-N 3.26Å; D303-D306 PolarHBondContact O-N 2.97Å; D303-I307 WeakPolarHBondContact O-CD1 3.38Å; D303-I307 VanDerWaalsContact O-CG1 3.24Å; D303-I307 WeakPolarHBondContact O-CG1 3.17Å; D303-I307 PolarHBondContact O-N 2.86Å
304V98.4Very high96.9Very high0 Ų040.3 Ų40.30%020%0.195CC..Hα-helixtrans-63.4-50.4177.4169.20000110.9F125 V182 R186 F300 T301 K302 D306 I307 L308F125-V304 HydrophobicContact CZ-CG2 4.11Å; V182-V304 HydrophobicContact CB-CG1 4.22Å; V182-V304 HydrophobicContact CG1-CB 4.34Å; V182-V304 HydrophobicContact CG1-CG1 3.94Å; V182-V304 HydrophobicContact CG1-CG2 4.23Å; R186-V304 HydrophobicContact CB-CG2 4.03Å; R186-V304 HydrophobicContact CG-CG2 4.29Å; F300-V304 VanDerWaalsContact O-CG2 3.29Å; F300-V304 WeakPolarHBondContact O-CG2 3.24Å; F300-V304 PolarHBondContact O-N 3.18Å; T301-V304 PolarHBondContact O-N 2.98Å; K302-V304 VanDerWaalsContact C-N 3.33Å; V304-D306 VanDerWaalsContact C-N 3.28Å; V304-D306 PolarHBondContact O-N 2.82Å; V304-I307 PolarHBondContact O-N 2.89Å; V304-I307 VanDerWaalsContact O-N 3.11Å; V304-L308 HydrophobicContact CG1-CD1 4.11Å; V304-L308 HydrophobicContact CG1-CG 4.28Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.03Å; V304-L308 PolarHBondContact O-N 2.8Å
305I98Very high97Very high2 Ų237.5 Ų37.51%0.0117%0.173CC..Hα-helixtrans-60.8-39.2179.3-64.3-52.9000111A96 I97 L101 L104 T301 K302 I307 L308 D309A96-I305 HydrophobicContact CB-CD1 4.29Å; I97-I305 HydrophobicContact CG2-CD1 4.34Å; I97-I305 HydrophobicContact CG2-CG1 4.21Å; L101-I305 HydrophobicContact CB-CG2 4.08Å; L101-I305 VanDerWaalsContact N-CG2 3.26Å; L104-I305 HydrophobicContact CD2-CB 4.09Å; L104-I305 HydrophobicContact CD2-CG1 3.8Å; T301-I305 HydrophobicContact CG2-CG1 4.31Å; T301-I305 WeakPolarHBondContact O-CG1 3.4Å; T301-I305 PolarHBondContact O-N 3.24Å; K302-I305 PolarHBondContact O-N 3.4Å; I305-I307 PolarHBondContact O-N 3.06Å; I305-L308 HydrophobicContact CD1-CD1 4.03Å; I305-L308 PolarHBondContact O-N 2.78Å; I305-D309 PolarHBondContact O-N 2.82Å
306D98.2Very high96.9Very high38 Ų3844.1 Ų44.120%0.20320%0.195CC..Hα-helixtrans-60.6-43.6173.6-179.167.9000112.4L101 Q192 K302 D303 V304 D309 Q310L101-D306 HydrophobicContact CD1-CB 4.47Å; L101-D306 HydrophobicContact CD2-CB 4Å; L101-D306 WeakPolarHBondContact CD2-OD1 3.27Å; Q192-D306 PolarHBondContact NE2-OD2 2.82Å; K302-D306 WeakPolarHBondContact O-CB 3.39Å; K302-D306 PolarHBondContact O-N 3.23Å; D303-D306 PolarHBondContact O-N 2.97Å; V304-D306 VanDerWaalsContact C-N 3.28Å; V304-D306 PolarHBondContact O-N 2.82Å; D306-D309 PolarHBondContact O-N 3.06Å; D306-Q310 WeakPolarHBondContact O-CG 3.34Å; D306-Q310 PolarHBondContact O-N 2.91Å; D306-Q310 PolarHBondContact OD2-NE2 3Å
307I98.4Very high96.7Very high0 Ų044.1 Ų44.10%020%0.197CC..Hα-helixtrans-63.5-42.9175.7-66.3159.7000111.1V182 R186 P193 V195 L215 D303 V304 I305 D309 Q310 M311V182-I307 HydrophobicContact CG1-CB 3.82Å; V182-I307 HydrophobicContact CG1-CD1 3.93Å; V182-I307 HydrophobicContact CG1-CG2 3.6Å; V182-I307 HydrophobicContact CG2-CG2 4.43Å; R186-I307 HydrophobicContact CB-CD1 4.5Å; P193-I307 HydrophobicContact CG-CD1 3.71Å; P193-I307 HydrophobicContact CG-CG1 4.38Å; V195-I307 HydrophobicContact CG2-CG2 4Å; L215-I307 HydrophobicContact CD1-CG2 4.28Å; L215-I307 HydrophobicContact CD2-CG2 3.73Å; D303-I307 WeakPolarHBondContact O-CD1 3.38Å; D303-I307 VanDerWaalsContact O-CG1 3.24Å; D303-I307 WeakPolarHBondContact O-CG1 3.17Å; D303-I307 PolarHBondContact O-N 2.86Å; V304-I307 PolarHBondContact O-N 2.89Å; V304-I307 VanDerWaalsContact O-N 3.11Å; I305-I307 PolarHBondContact O-N 3.06Å; I307-D309 VanDerWaalsContact C-N 3.32Å; I307-D309 PolarHBondContact O-N 3.41Å; I307-Q310 PolarHBondContact O-N 3.47Å; I307-M311 HydrophobicContact CG2-SD 4.1Å; I307-M311 VanDerWaalsContact O-CG 3.31Å; I307-M311 WeakPolarHBondContact O-CG 3.22Å; I307-M311 PolarHBondContact O-N 3.46Å
308L97.8Very high95.8Very high3 Ų351.3 Ų51.32%0.01624%0.235CC..Hα-helixtrans-61.4-41176.9-62.4178000111.2L174 L175 V182 V304 I305 M311 Q312L174-L308 HydrophobicContact CD1-CD2 3.44Å; L174-L308 VanDerWaalsContact CD1-CD2 3.44Å; L174-L308 HydrophobicContact CG-CD2 3.93Å; L175-L308 HydrophobicContact CD2-CD1 4.29Å; V182-L308 HydrophobicContact CB-CD2 4.21Å; V182-L308 HydrophobicContact CG2-CD2 3.77Å; V304-L308 HydrophobicContact CG1-CD1 4.11Å; V304-L308 HydrophobicContact CG1-CG 4.28Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.03Å; V304-L308 PolarHBondContact O-N 2.8Å; I305-L308 HydrophobicContact CD1-CD1 4.03Å; I305-L308 PolarHBondContact O-N 2.78Å; L308-M311 HydrophobicContact CD2-SD 4.24Å; L308-M311 WeakPolarHBondContact O-CB 3.43Å; L308-M311 PolarHBondContact O-N 3.29Å; L308-Q312 WeakPolarHBondContact O-CG 3.45Å; L308-Q312 PolarHBondContact O-N 3.48Å; L308-Q312 VanDerWaalsContact O-N 3.07Å
309D97.3Very high95.7Very high24 Ų2452.6 Ų52.613%0.12824%0.24CC..Hα-helixtrans-62-46.9174.3-85.7-7.8000111.5N100 L101 I305 D306 I307 M311 Q312 Q313N100-D309 WeakPolarHBondContact CA-OD1 3.21Å; N100-D309 WeakPolarHBondContact CB-OD1 3.35Å; L101-D309 VanDerWaalsContact CB-OD2 3.23Å; L101-D309 WeakPolarHBondContact CB-OD2 3.49Å; L101-D309 PolarHBondContact N-OD2 2.94Å; I305-D309 PolarHBondContact O-N 2.82Å; D306-D309 PolarHBondContact O-N 3.06Å; I307-D309 VanDerWaalsContact C-N 3.32Å; I307-D309 PolarHBondContact O-N 3.41Å; D309-M311 VanDerWaalsContact C-N 3.31Å; D309-M311 PolarHBondContact O-N 2.61Å; D309-Q312 PolarHBondContact O-N 3.32Å; D309-Q313 WeakPolarHBondContact O-CB 3.22Å; D309-Q313 VanDerWaalsContact O-CG 3.23Å; D309-Q313 WeakPolarHBondContact O-CG 3.45Å; D309-Q313 PolarHBondContact O-N 3.25Å
310Q98Very high95.7Very high42 Ų4249.1 Ų49.120%0.19623%0.225CC..Hα-helixtrans-59.7-40.7176.8-71.3179.951.700111.9V195 D306 I307 Q313 K314V195-Q310 HydrophobicContact CB-CB 3.91Å; V195-Q310 HydrophobicContact CG2-CB 3.5Å; V195-Q310 VanDerWaalsContact CG2-CB 3.5Å; D306-Q310 WeakPolarHBondContact O-CG 3.34Å; D306-Q310 PolarHBondContact O-N 2.91Å; D306-Q310 PolarHBondContact OD2-NE2 3Å; I307-Q310 PolarHBondContact O-N 3.47Å; Q310-Q313 PolarHBondContact O-N 2.89Å; Q310-K314 WeakPolarHBondContact O-CG 3.25Å; Q310-K314 PolarHBondContact O-N 2.79Å
311M98.1Very high95.6Very high0 Ų050.6 Ų50.60%023%0.232CC..Hα-helixtrans-59.4-51.3175.1-70.816671.100111L174 V182 V195 T213 L227 I307 L308 D309 Q313 K314 W315L174-M311 HydrophobicContact CD1-CE 3.31Å; L174-M311 HydrophobicContact CD1-SD 3.88Å; V182-M311 HydrophobicContact CG2-SD 4.01Å; V195-M311 HydrophobicContact CG1-CG 4.42Å; V195-M311 HydrophobicContact CG2-CG 3.89Å; T213-M311 HydrophobicContact CG2-CE 4.33Å; T213-M311 HydrophobicContact CG2-CG 3.83Å; T213-M311 HydrophobicContact CG2-SD 4.2Å; T213-M311 VanDerWaalsContact OG1-CE 3.28Å; T213-M311 WeakPolarHBondContact OG1-CE 2.97Å; L227-M311 HydrophobicContact CD1-CE 4.47Å; I307-M311 HydrophobicContact CG2-SD 4.1Å; I307-M311 VanDerWaalsContact O-CG 3.31Å; I307-M311 WeakPolarHBondContact O-CG 3.22Å; I307-M311 PolarHBondContact O-N 3.46Å; L308-M311 HydrophobicContact CD2-SD 4.24Å; L308-M311 WeakPolarHBondContact O-CB 3.43Å; L308-M311 PolarHBondContact O-N 3.29Å; D309-M311 VanDerWaalsContact C-N 3.31Å; D309-M311 PolarHBondContact O-N 2.61Å; M311-Q313 VanDerWaalsContact C-N 3.31Å; M311-Q313 PolarHBondContact O-N 2.85Å; M311-K314 WeakPolarHBondContact O-CB 3.47Å; M311-K314 PolarHBondContact O-N 3.03Å; M311-W315 HydrophobicContact CB-CZ2 4.24Å; M311-W315 HydrophobicContact CE-CH2 4.49Å; M311-W315 HydrophobicContact CE-CZ2 4.04Å; M311-W315 VanDerWaalsContact O-CD1 3.28Å; M311-W315 VanDerWaalsContact O-CG 3.28Å; M311-W315 PolarHBondContact O-N 2.73Å; M311-W315 VanDerWaalsContact O-N 3.11Å
312Q95.9Very high95.5Very high35 Ų3553.6 Ų53.616%0.16425%0.246CC..Hα-helixtrans-61.6-38.6178.2-67.8-176.810.700112.5L174 L308 D309 K314 W315 R316L174-Q312 HydrophobicContact CD2-CG 3.43Å; L174-Q312 VanDerWaalsContact CD2-CG 3.43Å; L308-Q312 WeakPolarHBondContact O-CG 3.45Å; L308-Q312 PolarHBondContact O-N 3.48Å; L308-Q312 VanDerWaalsContact O-N 3.07Å; D309-Q312 PolarHBondContact O-N 3.32Å; Q312-K314 VanDerWaalsContact C-N 3.35Å; Q312-K314 PolarHBondContact O-N 2.8Å; Q312-W315 HydrophobicContact CG-CE3 4.45Å; Q312-W315 PolarHBondContact O-N 2.99Å; Q312-R316 WeakPolarHBondContact O-CG 3.32Å; Q312-R316 PolarHBondContact O-N 3.46Å; Q312-R316 VanDerWaalsContact O-N 3.11Å; Q312-R316 VanDerWaalsContact OE1-NH2 3.14Å
313Q96.1Very high95.3Very high99 Ų9951.9 Ų51.946%0.46324%0.239SC..Hα-helixtrans-61.2-42.4176.1-72.6169.524.300111.7D309 Q310 M311 W315 R316 Q317D309-Q313 WeakPolarHBondContact O-CB 3.22Å; D309-Q313 VanDerWaalsContact O-CG 3.23Å; D309-Q313 WeakPolarHBondContact O-CG 3.45Å; D309-Q313 PolarHBondContact O-N 3.25Å; Q310-Q313 PolarHBondContact O-N 2.89Å; M311-Q313 VanDerWaalsContact C-N 3.31Å; M311-Q313 PolarHBondContact O-N 2.85Å; Q313-W315 VanDerWaalsContact C-N 3.33Å; Q313-W315 PolarHBondContact O-N 2.91Å; Q313-R316 PolarHBondContact O-N 3.22Å; Q313-Q317 WeakPolarHBondContact O-CG 3.13Å; Q313-Q317 PolarHBondContact O-N 2.86Å
314K96.8Very high95.1Very high73 Ų7355.1 Ų55.132%0.31725%0.254SS..Hα-helixtrans-61.5-41.3174.4-68.9-67.2-179.2-173.50111.8V195 Q310 M311 Q312 R316 Q317 N318V195-K314 HydrophobicContact CG1-CG 4.04Å; Q310-K314 WeakPolarHBondContact O-CG 3.25Å; Q310-K314 PolarHBondContact O-N 2.79Å; M311-K314 WeakPolarHBondContact O-CB 3.47Å; M311-K314 PolarHBondContact O-N 3.03Å; Q312-K314 VanDerWaalsContact C-N 3.35Å; Q312-K314 PolarHBondContact O-N 2.8Å; K314-R316 VanDerWaalsContact C-N 3.28Å; K314-R316 PolarHBondContact O-N 3.12Å; K314-Q317 PolarHBondContact O-N 2.92Å; K314-Q317 VanDerWaalsContact O-N 3.14Å; K314-N318 PolarHBondContact O-N 2.64Å; K314-N318 PolarHBondContact O-ND2 2.86Å
315W96.5Very high94.9Very high27 Ų2759.1 Ų59.110%0.10227%0.272CS..Hα-helixtrans-66.5-29.4179.5-57.1-15.3000113.4L174 S198 M200 D208 S211 M311 Q312 Q313 Q317L174-W315 HydrophobicContact CB-CH2 3.94Å; L174-W315 HydrophobicContact CB-CZ3 4.16Å; L174-W315 HydrophobicContact CD1-CH2 3.94Å; L174-W315 HydrophobicContact CD2-CH2 3.71Å; L174-W315 HydrophobicContact CD2-CZ3 3.67Å; L174-W315 HydrophobicContact CG-CH2 4.08Å; L174-W315 HydrophobicContact CG-CZ3 4.39Å; S198-W315 PolarHBondContact OG-NE1 3.03Å; M200-W315 HydrophobicContact CB-CB 4.4Å; M200-W315 HydrophobicContact CB-CD2 3.48Å; M200-W315 VanDerWaalsContact CB-CD2 3.48Å; M200-W315 HydrophobicContact CB-CE3 4.01Å; M200-W315 HydrophobicContact CB-CG 3.63Å; M200-W315 HydrophobicContact CB-CH2 4.48Å; M200-W315 HydrophobicContact CB-CZ2 4.07Å; M200-W315 HydrophobicContact CB-CZ3 4.47Å; M200-W315 HydrophobicContact CE-CB 4.24Å; M200-W315 HydrophobicContact CE-CD2 4.41Å; M200-W315 HydrophobicContact CE-CE3 4.11Å; M200-W315 HydrophobicContact CE-CG 4.49Å; M200-W315 HydrophobicContact CG-CD2 3.86Å; M200-W315 HydrophobicContact CG-CE3 3.84Å; M200-W315 HydrophobicContact CG-CG 4.39Å; M200-W315 HydrophobicContact CG-CH2 4.22Å; M200-W315 HydrophobicContact CG-CZ2 4.3Å; M200-W315 HydrophobicContact CG-CZ3 4.02Å; D208-W315 HydrophobicContact CB-CE3 4.29Å; D208-W315 HydrophobicContact CB-CH2 4.01Å; D208-W315 HydrophobicContact CB-CZ3 3.56Å; S211-W315 VanDerWaalsContact CB-CZ2 3.42Å; M311-W315 HydrophobicContact CB-CZ2 4.24Å; M311-W315 HydrophobicContact CE-CH2 4.49Å; M311-W315 HydrophobicContact CE-CZ2 4.04Å; M311-W315 VanDerWaalsContact O-CD1 3.28Å; M311-W315 VanDerWaalsContact O-CG 3.28Å; M311-W315 PolarHBondContact O-N 2.73Å; M311-W315 VanDerWaalsContact O-N 3.11Å; Q312-W315 HydrophobicContact CG-CE3 4.45Å; Q312-W315 PolarHBondContact O-N 2.99Å; Q313-W315 VanDerWaalsContact C-N 3.33Å; Q313-W315 PolarHBondContact O-N 2.91Å; W315-Q317 VanDerWaalsContact C-N 3.3Å
316R93.4Very high94.7Very high184 Ų18463.5 Ų63.569%0.69429%0.292SS*.Hα-helixtrans-77.1-15.8175-66.7172.3-169.31549.5113.5Q312 Q313 K314Q312-R316 WeakPolarHBondContact O-CG 3.32Å; Q312-R316 PolarHBondContact O-N 3.46Å; Q312-R316 VanDerWaalsContact O-N 3.11Å; Q312-R316 VanDerWaalsContact OE1-NH2 3.14Å; Q313-R316 PolarHBondContact O-N 3.22Å; K314-R316 VanDerWaalsContact C-N 3.28Å; K314-R316 PolarHBondContact O-N 3.12Å
317Q87.9Confident94.4Very high138 Ų13865.6 Ų65.665%0.64530%0.299SS*.Hα-helixtrans-92.3-18.5-179.7-70.6170.28.200113.1Q313 K314 W315Q313-Q317 WeakPolarHBondContact O-CG 3.13Å; Q313-Q317 PolarHBondContact O-N 2.86Å; K314-Q317 PolarHBondContact O-N 2.92Å; K314-Q317 VanDerWaalsContact O-N 3.14Å; W315-Q317 VanDerWaalsContact C-N 3.3Å
318N76.5Confident94Very high162 Ų16271.5 Ų71.587%0.86633%0.327SS*.  trans-92.60178.8-63.3-29000111.1S198 K314S198-N318 PolarHBondContact O-ND2 3.05Å; K314-N318 PolarHBondContact O-N 2.64Å; K314-N318 PolarHBondContact O-ND2 2.86Å

Retrieved 318 of 318 residues in 68 ms (Link to these results)

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