Z4YK03_MOUSE Loading...

Serine (or cysteine) peptidase inhibitor, clade B, member 1a

AlphaFold DB , UniProt , Accession Z4YK03, Species MOUSE (Mus musculus, Mouse), Gene Serpinb1a, Length 188 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
1M81.7Confident93.3Very high84 Ų8456.4 Ų56.441%0.41431%0.306SS..  0-45.40-66.8-55.7-87.900112.5Q3 L4 S5 L73M1-Q3 PolarHBondContact O-N 2.64Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-S5 PolarHBondContact O-N 2.68Å; M1-S5 PolarHBondContact O-OG 2.91Å; M1-L73 HydrophobicContact CE-CB 3.64Å; M1-L73 HydrophobicContact CE-CD1 3.53Å; M1-L73 HydrophobicContact CE-CD2 4.4Å; M1-L73 HydrophobicContact CE-CG 4.01Å
2E88.4Confident93.7Very high158 Ų15853.1 Ų53.174%0.73829%0.292SS*.Hα-helixtrans-45.5-53.4-176.7-169.8178.9-178.500115.7L4 S5 S6E2-L4 PolarHBondContact O-N 3.11Å; E2-S5 WeakPolarHBondContact CA-OG 3.46Å; E2-S5 PolarHBondContact O-N 2.82Å; E2-S5 PolarHBondContact O-OG 3.22Å; E2-S6 WeakPolarHBondContact O-CB 3.42Å; E2-S6 PolarHBondContact O-N 3.43Å; E2-S6 PolarHBondContact O-OG 3.21Å; E2-S6 VanDerWaalsContact O-OG 3.07Å
3Q92.5Very high94Very high67 Ų6756.6 Ų56.631%0.31331%0.309SS..Hα-helixtrans-56.8-46.1178.7-71.7167.4-32.700112.9M1 S6 A7 V63 R69M1-Q3 PolarHBondContact O-N 2.64Å; Q3-S6 PolarHBondContact O-N 2.88Å; Q3-A7 WeakPolarHBondContact O-CB 3.24Å; Q3-A7 PolarHBondContact O-N 3.34Å; Q3-V63 HydrophobicContact CB-CG1 4.34Å; Q3-V63 HydrophobicContact CB-CG2 4.32Å; Q3-R69 VanDerWaalsContact OE1-NH1 3.12Å; Q3-R69 VanDerWaalsContact OE1-NH2 3.08Å
4L92.9Very high94.2Very high0 Ų058.6 Ų58.60%032%0.316CS..Hα-helixtrans-69.8-39-178.4178.661.1000111.5M1 E2 N8 F60 V63 R69 F70 L73M1-L4 PolarHBondContact O-N 2.95Å; E2-L4 PolarHBondContact O-N 3.11Å; L4-N8 WeakPolarHBondContact O-CB 3.37Å; L4-N8 PolarHBondContact O-N 3.07Å; L4-N8 PolarHBondContact O-ND2 3.14Å; L4-F60 HydrophobicContact CD1-CE1 4.27Å; L4-V63 HydrophobicContact CB-CG1 4.13Å; L4-V63 HydrophobicContact CD1-CG1 4.46Å; L4-R69 HydrophobicContact CB-CB 4.25Å; L4-R69 HydrophobicContact CD2-CB 3.66Å; L4-F70 HydrophobicContact CD1-CD2 4Å; L4-F70 HydrophobicContact CD1-CE2 3.51Å; L4-F70 HydrophobicContact CD1-CZ 3.88Å; L4-F70 HydrophobicContact CD2-CD1 4.43Å; L4-F70 HydrophobicContact CD2-CD2 4.07Å; L4-F70 HydrophobicContact CD2-CE2 4.3Å; L4-F70 HydrophobicContact CD2-CG 4.14Å; L4-L73 HydrophobicContact CD2-CB 4.5Å; L4-L73 HydrophobicContact CD2-CD2 3.97Å
5S93.1Very high94.4Very high57 Ų5757.3 Ų57.340%0.39931%0.308SS..Hα-helixtrans-64.9-40.7175.450.10000111.7M1 E2 T9M1-S5 PolarHBondContact O-N 2.68Å; M1-S5 PolarHBondContact O-OG 2.91Å; E2-S5 WeakPolarHBondContact CA-OG 3.46Å; E2-S5 PolarHBondContact O-N 2.82Å; E2-S5 PolarHBondContact O-OG 3.22Å; S5-T9 VanDerWaalsContact O-CB 3.3Å; S5-T9 WeakPolarHBondContact O-CB 3.39Å; S5-T9 PolarHBondContact O-N 2.96Å; S5-T9 PolarHBondContact O-OG1 3.3Å
6S95.6Very high94.6Very high61 Ų6159.3 Ų59.343%0.42731%0.313SS..Hα-helixtrans-64.3-47.6176.7-63.10000111.3E2 Q3 N8 T9 L10E2-S6 WeakPolarHBondContact O-CB 3.42Å; E2-S6 PolarHBondContact O-N 3.43Å; E2-S6 PolarHBondContact O-OG 3.21Å; E2-S6 VanDerWaalsContact O-OG 3.07Å; Q3-S6 PolarHBondContact O-N 2.88Å; S6-N8 PolarHBondContact O-N 3.29Å; S6-T9 PolarHBondContact O-N 3.02Å; S6-L10 WeakPolarHBondContact O-CG 3.4Å; S6-L10 PolarHBondContact O-N 2.86Å
7A96.1Very high94.7Very high1 Ų163 Ų631%0.00833%0.328CS..Hα-helixtrans-58.6-48.6176.400000112.3Q3 T9 L10 F11 H59 F60 V63Q3-A7 WeakPolarHBondContact O-CB 3.24Å; Q3-A7 PolarHBondContact O-N 3.34Å; A7-T9 VanDerWaalsContact C-N 3.3Å; A7-T9 PolarHBondContact O-N 2.95Å; A7-L10 PolarHBondContact O-N 3.43Å; A7-F11 PolarHBondContact O-N 3.27Å; A7-H59 HydrophobicContact CB-CB 3.85Å; A7-H59 WeakPolarHBondContact CB-O 3.43Å; A7-F60 HydrophobicContact CB-CD1 4.44Å; A7-V63 HydrophobicContact CB-CG2 3.61Å
8N95.3Very high94.7Very high15 Ų1563.8 Ų63.88%0.0834%0.336CS..Hα-helixtrans-63-34.9176.7-78.9-31.3000112.7L4 S6 A12 S36L4-N8 WeakPolarHBondContact O-CB 3.37Å; L4-N8 PolarHBondContact O-N 3.07Å; L4-N8 PolarHBondContact O-ND2 3.14Å; S6-N8 PolarHBondContact O-N 3.29Å; N8-A12 VanDerWaalsContact O-CB 3.27Å; N8-A12 WeakPolarHBondContact O-CB 3.42Å; N8-A12 PolarHBondContact O-N 2.92Å; N8-S36 WeakPolarHBondContact OD1-CB 3.34Å; N8-S36 PolarHBondContact OD1-OG 3.16Å
9T96.6Very high94.8Very high78 Ų7863.8 Ų63.848%0.47934%0.337SS..Hα-helixtrans-71.3-42.3178.4-58.70000111.3S5 S6 A7 A12 L13S5-T9 VanDerWaalsContact O-CB 3.3Å; S5-T9 WeakPolarHBondContact O-CB 3.39Å; S5-T9 PolarHBondContact O-N 2.96Å; S5-T9 PolarHBondContact O-OG1 3.3Å; S6-T9 PolarHBondContact O-N 3.02Å; A7-T9 VanDerWaalsContact C-N 3.3Å; A7-T9 PolarHBondContact O-N 2.95Å; T9-A12 WeakPolarHBondContact O-CB 3.35Å; T9-A12 PolarHBondContact O-N 2.86Å; T9-L13 HydrophobicContact CG2-CD1 4.31Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 2.77Å
10L97.2Very high94.8Very high85 Ų8563.9 Ų63.945%0.44534%0.337SS..Hα-helixtrans-60.1-50.4175.5-71.8171.9000110.8S6 A7 A12 L13 E14S6-L10 WeakPolarHBondContact O-CG 3.4Å; S6-L10 PolarHBondContact O-N 2.86Å; A7-L10 PolarHBondContact O-N 3.43Å; L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 2.97Å; L10-E14 WeakPolarHBondContact O-CG 3.42Å; L10-E14 PolarHBondContact O-N 3.4Å
11F97.3Very high94.8Very high14 Ų1468.1 Ų68.16%0.06136%0.355CS..Hα-helixtrans-57.5-41.6174.3172.4-106000112.2A7 L13 E14 L15 I35 S36 F58A7-F11 PolarHBondContact O-N 3.27Å; F11-L13 VanDerWaalsContact C-N 3.35Å; F11-L13 PolarHBondContact O-N 3.5Å; F11-E14 PolarHBondContact O-N 2.75Å; F11-L15 HydrophobicContact CE1-CD2 4Å; F11-L15 HydrophobicContact CE2-CB 4.44Å; F11-L15 HydrophobicContact CZ-CB 4.28Å; F11-L15 HydrophobicContact CZ-CD2 3.8Å; F11-L15 VanDerWaalsContact O-CB 3.32Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.44Å; F11-I35 HydrophobicContact CE1-CB 4.29Å; F11-I35 HydrophobicContact CE1-CG2 3.94Å; F11-I35 HydrophobicContact CZ-CG2 3.92Å; F11-S36 WeakPolarHBondContact CD1-OG 3.18Å; F11-F58 AromaticContact CD1-CD1 3.94Å; F11-F58 HydrophobicContact CD1-CD1 3.94Å; F11-F58 AromaticContact CD1-CE1 3.95Å; F11-F58 HydrophobicContact CD1-CE1 3.95Å; F11-F58 AromaticContact CD2-CD1 3.9Å; F11-F58 HydrophobicContact CD2-CD1 3.9Å; F11-F58 HydrophobicContact CD2-CE1 4Å; F11-F58 HydrophobicContact CD2-CG 4.32Å; F11-F58 HydrophobicContact CD2-CZ 4.47Å; F11-F58 AromaticContact CE1-CD1 3.95Å; F11-F58 HydrophobicContact CE1-CD1 3.95Å; F11-F58 AromaticContact CE1-CE1 3.46Å; F11-F58 HydrophobicContact CE1-CE1 3.46Å; F11-F58 VanDerWaalsContact CE1-CE1 3.46Å; F11-F58 HydrophobicContact CE1-CZ 4.29Å; F11-F58 AromaticContact CE2-CD1 3.91Å; F11-F58 HydrophobicContact CE2-CD1 3.91Å; F11-F58 AromaticContact CE2-CE1 3.52Å; F11-F58 HydrophobicContact CE2-CE1 3.52Å; F11-F58 HydrophobicContact CE2-CE2 4.31Å; F11-F58 HydrophobicContact CE2-CG 4.46Å; F11-F58 AromaticContact CE2-CZ 3.71Å; F11-F58 HydrophobicContact CE2-CZ 3.71Å; F11-F58 AromaticContact CG-CD1 3.92Å; F11-F58 HydrophobicContact CG-CD1 3.92Å; F11-F58 HydrophobicContact CG-CE1 4.2Å; F11-F58 AromaticContact CZ-CD1 3.94Å; F11-F58 HydrophobicContact CZ-CD1 3.94Å; F11-F58 AromaticContact CZ-CE1 3.22Å; F11-F58 HydrophobicContact CZ-CE1 3.22Å; F11-F58 AromaticContact CZ-CZ 3.61Å; F11-F58 HydrophobicContact CZ-CZ 3.61Å
12A97.5Very high95.2Very high17 Ų1769.2 Ų69.214%0.1437%0.371CS..Hα-helixtrans-59.9-43.7177.800000112.6N8 T9 L10 F16 P32N8-A12 VanDerWaalsContact O-CB 3.27Å; N8-A12 WeakPolarHBondContact O-CB 3.42Å; N8-A12 PolarHBondContact O-N 2.92Å; T9-A12 WeakPolarHBondContact O-CB 3.35Å; T9-A12 PolarHBondContact O-N 2.86Å; L10-A12 VanDerWaalsContact C-N 3.29Å; L10-A12 PolarHBondContact O-N 2.86Å; A12-F16 VanDerWaalsContact O-CB 3.25Å; A12-F16 WeakPolarHBondContact O-CB 3.43Å; A12-F16 PolarHBondContact O-N 3.44Å; A12-P32 HydrophobicContact CB-CB 3.4Å; A12-P32 VanDerWaalsContact CB-CB 3.4Å; A12-P32 HydrophobicContact CB-CG 3.41Å; A12-P32 VanDerWaalsContact CB-CG 3.41Å
13L97.6Very high95.3Very high99 Ų9964 Ų6452%0.51835%0.352SS..Hα-helixtrans-68-43.5179.3-68.5172.6000111.4T9 L10 F11 F16 Q17T9-L13 HydrophobicContact CG2-CD1 4.31Å; T9-L13 WeakPolarHBondContact O-CG 3.4Å; T9-L13 PolarHBondContact O-N 2.77Å; L10-L13 PolarHBondContact O-N 2.97Å; F11-L13 VanDerWaalsContact C-N 3.35Å; F11-L13 PolarHBondContact O-N 3.5Å; L13-F16 PolarHBondContact O-N 3Å; L13-Q17 WeakPolarHBondContact O-CG 3.23Å; L13-Q17 PolarHBondContact O-N 2.95Å
14E97.1Very high95.2Very high85 Ų8565.3 Ų65.340%0.39737%0.366SS..Hα-helixtrans-62.3-47.7176.6-71.2173.6171.200111.2L10 F11 F16 Q17 T18 H59L10-E14 WeakPolarHBondContact O-CG 3.42Å; L10-E14 PolarHBondContact O-N 3.4Å; F11-E14 PolarHBondContact O-N 2.75Å; E14-F16 VanDerWaalsContact C-N 3.35Å; E14-F16 PolarHBondContact O-N 3.48Å; E14-Q17 WeakPolarHBondContact O-CB 3.33Å; E14-Q17 PolarHBondContact O-N 2.97Å; E14-T18 PolarHBondContact O-N 2.97Å; E14-T18 PolarHBondContact O-OG1 3.28Å; E14-H59 IonicContact OE1-CE1 3.31Å; E14-H59 PolarHBondContact OE1-CE1 3.32Å; E14-H59 VanDerWaalsContact OE1-CE1 3.31Å; E14-H59 IonicContact OE1-NE2 3.43Å; E14-H59 PolarHBondContact OE1-NE2 2.95Å; E14-H59 VanDerWaalsContact OE1-NE2 3.13Å; E14-H59 IonicContact OE2-CD2 2.8Å; E14-H59 IonicContact OE2-CE1 3.72Å; E14-H59 IonicContact OE2-NE2 2.86Å; E14-H59 PolarHBondContact OE2-NE2 2.82Å
15L96.9Very high95.1Very high38 Ų3871.9 Ų71.920%0.19941%0.407CS..Hα-helixtrans-63.8-40.3177.1-178.959.7000111.7F11 Q17 T18 L19 F30 I35F11-L15 HydrophobicContact CE1-CD2 4Å; F11-L15 HydrophobicContact CE2-CB 4.44Å; F11-L15 HydrophobicContact CZ-CB 4.28Å; F11-L15 HydrophobicContact CZ-CD2 3.8Å; F11-L15 VanDerWaalsContact O-CB 3.32Å; F11-L15 WeakPolarHBondContact O-CB 3.35Å; F11-L15 PolarHBondContact O-N 3.44Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.46Å; L15-T18 PolarHBondContact O-N 2.95Å; L15-L19 HydrophobicContact CD1-CD1 4.49Å; L15-L19 HydrophobicContact CD1-CG 4.25Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 HydrophobicContact CG-CG 4.37Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 2.87Å; L15-F30 HydrophobicContact CB-CE2 4.4Å; L15-F30 HydrophobicContact CD2-CD2 3.97Å; L15-F30 HydrophobicContact CD2-CE2 3.71Å; L15-F30 HydrophobicContact CG-CE2 4.13Å; L15-I35 HydrophobicContact CD2-CD1 3.58Å
16F97.3Very high95.1Very high89 Ų8970.8 Ų70.839%0.3940%0.404SS..Hα-helixtrans-59.8-43.1175.5175.6-101.4000111.6A12 L13 E14 L19 N20 I28 F30A12-F16 VanDerWaalsContact O-CB 3.25Å; A12-F16 WeakPolarHBondContact O-CB 3.43Å; A12-F16 PolarHBondContact O-N 3.44Å; L13-F16 PolarHBondContact O-N 3Å; E14-F16 VanDerWaalsContact C-N 3.35Å; E14-F16 PolarHBondContact O-N 3.48Å; F16-L19 PolarHBondContact O-N 2.97Å; F16-N20 VanDerWaalsContact O-CB 3.31Å; F16-N20 WeakPolarHBondContact O-CB 3.49Å; F16-N20 PolarHBondContact O-N 3.06Å; F16-I28 HydrophobicContact CD2-CB 4.46Å; F16-I28 HydrophobicContact CD2-CD1 4.4Å; F16-I28 HydrophobicContact CD2-CG2 3.87Å; F16-I28 HydrophobicContact CE2-CB 4.06Å; F16-I28 HydrophobicContact CE2-CD1 3.97Å; F16-I28 HydrophobicContact CE2-CG2 3.97Å; F16-F30 HydrophobicContact CB-CE1 4.11Å; F16-F30 HydrophobicContact CB-CZ 4.04Å; F16-F30 HydrophobicContact CD2-CE1 4.08Å
17Q96.3Very high95Very high123 Ų12376.2 Ų76.258%0.57543%0.429SS*.Hα-helixtrans-60.1-47175.1-72.8175500111.3L13 E14 L15 L19 N20 E21L13-Q17 WeakPolarHBondContact O-CG 3.23Å; L13-Q17 PolarHBondContact O-N 2.95Å; E14-Q17 WeakPolarHBondContact O-CB 3.33Å; E14-Q17 PolarHBondContact O-N 2.97Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.46Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.99Å; Q17-N20 WeakPolarHBondContact O-CB 3.39Å; Q17-N20 PolarHBondContact O-N 3.5Å; Q17-N20 VanDerWaalsContact O-N 3.16Å; Q17-E21 WeakPolarHBondContact O-CG 3.43Å; Q17-E21 PolarHBondContact O-N 3.28Å
18T95.7Very high95Very high77 Ų7778.4 Ų78.447%0.47244%0.44SS..Hα-helixtrans-60.4-41176.7-55.20000112.6E14 L15 N20 E21E14-T18 PolarHBondContact O-N 2.97Å; E14-T18 PolarHBondContact O-OG1 3.28Å; L15-T18 PolarHBondContact O-N 2.95Å; T18-N20 VanDerWaalsContact C-N 3.35Å; T18-E21 PolarHBondContact O-N 3.42Å
19L95.2Very high94.8Very high65 Ų6587.3 Ų87.334%0.3448%0.478SS..Hα-helixtrans-66.9-38.1176.2-68.5174.6000111.6L15 F16 Q17 E21 S22 S23 I28 F30L15-L19 HydrophobicContact CD1-CD1 4.49Å; L15-L19 HydrophobicContact CD1-CG 4.25Å; L15-L19 HydrophobicContact CG-CD1 4.15Å; L15-L19 HydrophobicContact CG-CG 4.37Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 2.87Å; F16-L19 PolarHBondContact O-N 2.97Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.99Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 2.75Å; L19-S22 PolarHBondContact O-N 2.95Å; L19-S22 VanDerWaalsContact O-N 3.15Å; L19-S23 PolarHBondContact O-N 2.83Å; L19-I28 HydrophobicContact CB-CD1 4.27Å; L19-I28 HydrophobicContact CB-CG2 4.31Å; L19-I28 HydrophobicContact CD1-CG2 4.13Å; L19-F30 HydrophobicContact CD1-CD1 3.92Å; L19-F30 HydrophobicContact CD1-CE1 4.16Å; L19-F30 HydrophobicContact CD1-CG 4.2Å
20N95.1Very high94.6Very high65 Ų6586.1 Ų86.135%0.34847%0.466SS..Hα-helixtrans-67-32.8178.2-172.669.7000112.9F16 Q17 T18 S22 S23 P24 I28F16-N20 VanDerWaalsContact O-CB 3.31Å; F16-N20 WeakPolarHBondContact O-CB 3.49Å; F16-N20 PolarHBondContact O-N 3.06Å; Q17-N20 WeakPolarHBondContact O-CB 3.39Å; Q17-N20 PolarHBondContact O-N 3.5Å; Q17-N20 VanDerWaalsContact O-N 3.16Å; T18-N20 VanDerWaalsContact C-N 3.35Å; N20-S22 PolarHBondContact O-N 3.35Å; N20-S23 CarbonylContact O-C 3.3Å; N20-S23 VanDerWaalsContact O-C 3.3Å; N20-S23 PolarHBondContact O-N 2.84Å; N20-P24 WeakPolarHBondContact O-CA 3.42Å; N20-P24 VanDerWaalsContact O-N 3.11Å; N20-I28 HydrophobicContact CB-CD1 3.9Å
21E95.2Very high94.4Very high153 Ų15383.8 Ų83.872%0.71546%0.457SS*.Hα-helixtrans-59.9-34171.6-71.1171.4-175.500112.2Q17 T18 L19Q17-E21 WeakPolarHBondContact O-CG 3.43Å; Q17-E21 PolarHBondContact O-N 3.28Å; T18-E21 PolarHBondContact O-N 3.42Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 2.75Å
22S90Very high94.2Very high106 Ų10684.7 Ų84.774%0.74146%0.464SS*.Hα-helixtrans-85.6-23.6179.7-59.20000113.5L19 N20L19-S22 PolarHBondContact O-N 2.95Å; L19-S22 VanDerWaalsContact O-N 3.15Å; N20-S22 PolarHBondContact O-N 3.35Å
23S90.1Very high93.8Very high50 Ų5085.5 Ų85.535%0.3547%0.465SS..  trans-144.273.2-178.9-160.80000111.3L19 N20 T25 G26L19-S23 PolarHBondContact O-N 2.83Å; N20-S23 CarbonylContact O-C 3.3Å; N20-S23 VanDerWaalsContact O-C 3.3Å; N20-S23 PolarHBondContact O-N 2.84Å; S23-T25 PolarHBondContact O-N 3.43Å; S23-T25 VanDerWaalsContact O-N 3.14Å; S23-G26 PolarHBondContact O-N 3.28Å
24P90Very high93.5Very high93 Ų9381.7 Ų81.760%0.60445%0.447SS*.THydrogen-bonded Turntrans-69.5-15.8-168.726.3-35.6000114.4N20N20-P24 WeakPolarHBondContact O-CA 3.42Å; N20-P24 VanDerWaalsContact O-N 3.11Å
25T92.3Very high93.3Very high139 Ų13980.4 Ų80.485%0.85344%0.442SS*.THydrogen-bonded Turntrans-124.5-1.2-178.157.70000113S23S23-T25 PolarHBondContact O-N 3.43Å; S23-T25 VanDerWaalsContact O-N 3.14Å
26G92.8Very high93.2Very high34 Ų3478.6 Ų78.635%0.35143%0.432SS..SBendtrans-85.2161.9-178.100000112.6S23 I28S23-G26 PolarHBondContact O-N 3.28Å; G26-I28 PolarHBondContact O-N 3.34Å
27N93.9Very high92.9Very high175 Ų17574.3 Ų74.394%0.93641%0.413SS*.  trans-69.7125.9168.1-67.6-36.4000109.4
28I95.1Very high92.7Very high47 Ų4769.3 Ų69.324%0.24139%0.393CS..  trans-108.3124174.2-63171.9000108.5F16 L19 N20 G26 F30F16-I28 HydrophobicContact CD2-CB 4.46Å; F16-I28 HydrophobicContact CD2-CD1 4.4Å; F16-I28 HydrophobicContact CD2-CG2 3.87Å; F16-I28 HydrophobicContact CE2-CB 4.06Å; F16-I28 HydrophobicContact CE2-CD1 3.97Å; F16-I28 HydrophobicContact CE2-CG2 3.97Å; L19-I28 HydrophobicContact CB-CD1 4.27Å; L19-I28 HydrophobicContact CB-CG2 4.31Å; L19-I28 HydrophobicContact CD1-CG2 4.13Å; N20-I28 HydrophobicContact CB-CD1 3.9Å; G26-I28 PolarHBondContact O-N 3.34Å; I28-F30 HydrophobicContact CG2-CD1 3.95Å; I28-F30 HydrophobicContact CG2-CE1 4.19Å
29F92.3Very high92.7Very high201 Ų20167.8 Ų67.888%0.88238%0.382SS*.  trans-141.4123.3176.1-176.6-101.4000109.9
30F92.6Very high92.6Very high54 Ų5464.7 Ų64.724%0.23737%0.366CS..  trans-156.2165.4177.270.4-72.6000110.3L15 F16 L19 I28 P32 I35L15-F30 HydrophobicContact CB-CE2 4.4Å; L15-F30 HydrophobicContact CD2-CD2 3.97Å; L15-F30 HydrophobicContact CD2-CE2 3.71Å; L15-F30 HydrophobicContact CG-CE2 4.13Å; F16-F30 HydrophobicContact CB-CE1 4.11Å; F16-F30 HydrophobicContact CB-CZ 4.04Å; F16-F30 HydrophobicContact CD2-CE1 4.08Å; L19-F30 HydrophobicContact CD1-CD1 3.92Å; L19-F30 HydrophobicContact CD1-CE1 4.16Å; L19-F30 HydrophobicContact CD1-CG 4.2Å; I28-F30 HydrophobicContact CG2-CD1 3.95Å; I28-F30 HydrophobicContact CG2-CE1 4.19Å; F30-P32 HydrophobicContact CD2-CB 4.36Å; F30-P32 HydrophobicContact CD2-CG 3.97Å; F30-P32 HydrophobicContact CE2-CB 3.8Å; F30-P32 HydrophobicContact CE2-CG 3.41Å; F30-P32 VanDerWaalsContact CE2-CG 3.41Å; F30-P32 HydrophobicContact CZ-CG 3.92Å; F30-P32 WeakPolarHBondContact O-CD 3.37Å; F30-I35 HydrophobicContact CD2-CD1 4.1Å
31S92Very high92.6Very high35 Ų3561.6 Ų61.625%0.24535%0.349CS..  trans-109.2102.1171179.60000109.4F33 S34 I35S31-F33 VanDerWaalsContact C-N 3.25Å; S31-F33 PolarHBondContact O-N 3.32Å; S31-S34 WeakPolarHBondContact O-CB 3.49Å; S31-S34 PolarHBondContact O-N 2.89Å; S31-S34 WeakPolarHBondContact OG-CB 3.3Å; S31-S34 PolarHBondContact OG-N 3.49Å; S31-I35 PolarHBondContact O-N 3.41Å
32P93.3Very high92.6Very high34 Ų3456.7 Ų56.722%0.22133%0.329CS..Hα-helixtrans-58.8-40.7177.8-12.416.4000111.9A12 F30 S34 I35 S36A12-P32 HydrophobicContact CB-CB 3.4Å; A12-P32 VanDerWaalsContact CB-CB 3.4Å; A12-P32 HydrophobicContact CB-CG 3.41Å; A12-P32 VanDerWaalsContact CB-CG 3.41Å; F30-P32 HydrophobicContact CD2-CB 4.36Å; F30-P32 HydrophobicContact CD2-CG 3.97Å; F30-P32 HydrophobicContact CE2-CB 3.8Å; F30-P32 HydrophobicContact CE2-CG 3.41Å; F30-P32 VanDerWaalsContact CE2-CG 3.41Å; F30-P32 HydrophobicContact CZ-CG 3.92Å; F30-P32 WeakPolarHBondContact O-CD 3.37Å; P32-S34 VanDerWaalsContact C-N 3.33Å; P32-S34 PolarHBondContact O-N 3.23Å; P32-I35 PolarHBondContact O-N 3.02Å; P32-S36 PolarHBondContact O-N 3.02Å; P32-S36 PolarHBondContact O-OG 2.96Å
33F89.8Confident92.9Very high34 Ų3452.4 Ų52.415%0.14930%0.298CS..Hα-helixtrans-61.1-40.2178.9172.1-107.1000112.8S31 I35 S36 S37 F70 L73 N74 L88 I165S31-F33 VanDerWaalsContact C-N 3.25Å; S31-F33 PolarHBondContact O-N 3.32Å; F33-I35 PolarHBondContact O-N 3.42Å; F33-S36 PolarHBondContact O-N 3.47Å; F33-S37 VanDerWaalsContact O-CB 3.28Å; F33-S37 WeakPolarHBondContact O-CB 3.41Å; F33-S37 PolarHBondContact O-N 3.2Å; F33-F70 HydrophobicContact CD2-CE1 4.18Å; F33-F70 HydrophobicContact CE2-CD1 4.01Å; F33-F70 AromaticContact CE2-CE1 3.75Å; F33-F70 HydrophobicContact CE2-CE1 3.75Å; F33-L73 HydrophobicContact CD2-CD2 3.89Å; F33-L73 HydrophobicContact CE2-CD2 3.35Å; F33-L73 HydrophobicContact CE2-CG 3.73Å; F33-L73 HydrophobicContact CZ-CD2 4.2Å; F33-L73 HydrophobicContact CZ-CG 4.08Å; F33-N74 WeakPolarHBondContact CZ-OD1 3.4Å; F33-L88 HydrophobicContact CD1-CD1 4.33Å; F33-L88 HydrophobicContact CE1-CD1 3.67Å; F33-L88 HydrophobicContact CE1-CD2 3.55Å; F33-L88 HydrophobicContact CE1-CG 4.23Å; F33-L88 HydrophobicContact CZ-CD2 3.8Å; F33-I165 HydrophobicContact CD1-CD1 4.04Å
34S90.6Very high93.1Very high19 Ų1951.8 Ų51.813%0.13329%0.291CS..Hα-helixtrans-58.4-47.2175.6176.10000111.7S31 P32 S37 A38 N163S31-S34 WeakPolarHBondContact O-CB 3.49Å; S31-S34 PolarHBondContact O-N 2.89Å; S31-S34 WeakPolarHBondContact OG-CB 3.3Å; S31-S34 PolarHBondContact OG-N 3.49Å; P32-S34 VanDerWaalsContact C-N 3.33Å; P32-S34 PolarHBondContact O-N 3.23Å; S34-S37 PolarHBondContact O-N 3.42Å; S34-A38 PolarHBondContact O-N 3.09Å; S34-A38 VanDerWaalsContact O-N 3.07Å; S34-N163 VanDerWaalsContact CA-OD1 3.27Å; S34-N163 WeakPolarHBondContact CA-OD1 3.31Å; S34-N163 WeakPolarHBondContact CB-OD1 3.47Å; S34-N163 PolarHBondContact OG-OD1 3.26Å
35I93.6Very high93.4Very high57 Ų5749.6 Ų49.629%0.29228%0.284SS..Hα-helixtrans-64.6-49.7178-60.3171.1000110.3F11 L15 F30 S31 P32 F33 S37 A38 L39 F58F11-I35 HydrophobicContact CE1-CB 4.29Å; F11-I35 HydrophobicContact CE1-CG2 3.94Å; F11-I35 HydrophobicContact CZ-CG2 3.92Å; L15-I35 HydrophobicContact CD2-CD1 3.58Å; F30-I35 HydrophobicContact CD2-CD1 4.1Å; S31-I35 PolarHBondContact O-N 3.41Å; P32-I35 PolarHBondContact O-N 3.02Å; F33-I35 PolarHBondContact O-N 3.42Å; I35-S37 VanDerWaalsContact C-N 3.29Å; I35-S37 PolarHBondContact O-N 2.86Å; I35-A38 PolarHBondContact O-N 3.05Å; I35-L39 HydrophobicContact CG2-CD2 4.13Å; I35-L39 WeakPolarHBondContact O-CD2 3.42Å; I35-L39 PolarHBondContact O-N 2.97Å; I35-F58 HydrophobicContact CG2-CE1 4.14Å; I35-F58 HydrophobicContact CG2-CZ 4.36Å
36S94.2Very high93.6Very high0 Ų043.6 Ų43.60%025%0.249CC..Hα-helixtrans-57.9-40.2177.6-67.10000112.7N8 F11 P32 F33 L39 A40N8-S36 WeakPolarHBondContact OD1-CB 3.34Å; N8-S36 PolarHBondContact OD1-OG 3.16Å; F11-S36 WeakPolarHBondContact CD1-OG 3.18Å; P32-S36 PolarHBondContact O-N 3.02Å; P32-S36 PolarHBondContact O-OG 2.96Å; F33-S36 PolarHBondContact O-N 3.47Å; S36-L39 PolarHBondContact O-N 2.97Å; S36-A40 VanDerWaalsContact O-CB 3.27Å; S36-A40 WeakPolarHBondContact O-CB 3.19Å; S36-A40 PolarHBondContact O-N 2.99Å
37S90.8Very high93.8Very high0 Ų049.9 Ų49.90%027%0.267CS..Hα-helixtrans-66.1-44.8178.3-170.30000111.7F33 S34 I35 L39 A40 M41F33-S37 VanDerWaalsContact O-CB 3.28Å; F33-S37 WeakPolarHBondContact O-CB 3.41Å; F33-S37 PolarHBondContact O-N 3.2Å; S34-S37 PolarHBondContact O-N 3.42Å; I35-S37 VanDerWaalsContact C-N 3.29Å; I35-S37 PolarHBondContact O-N 2.86Å; S37-L39 PolarHBondContact O-N 3.35Å; S37-A40 PolarHBondContact O-N 3.19Å; S37-M41 PolarHBondContact O-N 2.89Å
38A92.3Very high94Very high17 Ų1744.6 Ų44.614%0.1425%0.254CS..Hα-helixtrans-59.5-45.5175.100000111.7S34 I35 M41 V42 N163S34-A38 PolarHBondContact O-N 3.09Å; S34-A38 VanDerWaalsContact O-N 3.07Å; I35-A38 PolarHBondContact O-N 3.05Å; A38-M41 WeakPolarHBondContact O-CB 3.33Å; A38-M41 PolarHBondContact O-N 3.33Å; A38-V42 PolarHBondContact O-N 3.42Å; A38-N163 HydrophobicContact CB-CB 4.18Å
39L94.8Very high94.1Very high46 Ų4646.4 Ų46.424%0.24127%0.271CS..Hα-helixtrans-73.7-30-179.5-86.8-57.5000113.1I35 S36 S37 M41 V42 I43 L54 F58I35-L39 HydrophobicContact CG2-CD2 4.13Å; I35-L39 WeakPolarHBondContact O-CD2 3.42Å; I35-L39 PolarHBondContact O-N 2.97Å; S36-L39 PolarHBondContact O-N 2.97Å; S37-L39 PolarHBondContact O-N 3.35Å; L39-M41 VanDerWaalsContact C-N 3.27Å; L39-M41 PolarHBondContact O-N 3.38Å; L39-V42 HydrophobicContact CD1-CB 4.19Å; L39-V42 HydrophobicContact CD1-CG2 4.16Å; L39-V42 WeakPolarHBondContact O-CA 3.33Å; L39-V42 WeakPolarHBondContact O-CB 3.3Å; L39-V42 PolarHBondContact O-N 3.35Å; L39-I43 WeakPolarHBondContact O-CG1 3.43Å; L39-I43 PolarHBondContact O-N 3.26Å; L39-L54 HydrophobicContact CD1-CD2 3.94Å; L39-F58 HydrophobicContact CB-CD1 4.43Å; L39-F58 HydrophobicContact CB-CD2 4.47Å; L39-F58 HydrophobicContact CB-CE1 3.89Å; L39-F58 HydrophobicContact CB-CE2 3.95Å; L39-F58 HydrophobicContact CB-CZ 3.67Å; L39-F58 HydrophobicContact CD2-CZ 4.05Å; L39-F58 HydrophobicContact CG-CE1 4.1Å; L39-F58 HydrophobicContact CG-CE2 3.77Å; L39-F58 HydrophobicContact CG-CZ 3.42Å; L39-F58 VanDerWaalsContact CG-CZ 3.42Å
40A94.3Very high94.4Very high0 Ų040.5 Ų40.50%025%0.251CS..Hα-helixtrans-64.4-33.4171.900000111.9S36 S37 V42 I43 L44 F60 H67 F70 Y112S36-A40 VanDerWaalsContact O-CB 3.27Å; S36-A40 WeakPolarHBondContact O-CB 3.19Å; S36-A40 PolarHBondContact O-N 2.99Å; S37-A40 PolarHBondContact O-N 3.19Å; A40-V42 VanDerWaalsContact C-N 3.34Å; A40-I43 PolarHBondContact O-N 3.47Å; A40-L44 PolarHBondContact O-N 2.55Å; A40-F60 HydrophobicContact CB-CE2 4Å; A40-F60 HydrophobicContact CB-CZ 4.32Å; A40-H67 PolarHBondContact O-CE1 3.46Å; A40-F70 HydrophobicContact CB-CD2 3.93Å; A40-F70 HydrophobicContact CB-CE2 3.68Å; A40-F70 HydrophobicContact CB-CZ 4.17Å; A40-Y112 HydrophobicContact CB-CE1 4.06Å; A40-Y112 WeakPolarHBondContact CB-OH 3.33Å
41M95Very high94.6Very high0 Ų038.9 Ų38.90%025%0.248CC..Hα-helixtrans-68.6-30.2170-67.6-172.5-72.400113.1S37 A38 L39 N90 L92 Y104 T108 Y112 A114 L161S37-M41 PolarHBondContact O-N 2.89Å; A38-M41 WeakPolarHBondContact O-CB 3.33Å; A38-M41 PolarHBondContact O-N 3.33Å; L39-M41 VanDerWaalsContact C-N 3.27Å; L39-M41 PolarHBondContact O-N 3.38Å; M41-N90 HydrophobicContact CE-CB 3.99Å; M41-N90 HydrophobicContact SD-CB 4.04Å; M41-L92 HydrophobicContact SD-CD1 4.16Å; M41-Y104 WeakPolarHBondContact O-CE2 3.33Å; M41-Y104 PolarHBondContact O-OH 3.17Å; M41-T108 HydrophobicContact CB-CG2 4.46Å; M41-Y112 HydrophobicContact CG-CD1 3.62Å; M41-Y112 HydrophobicContact CG-CD2 3.61Å; M41-Y112 HydrophobicContact CG-CE1 4.01Å; M41-Y112 HydrophobicContact CG-CE2 4.01Å; M41-Y112 HydrophobicContact CG-CG 3.42Å; M41-Y112 VanDerWaalsContact CG-CG 3.42Å; M41-Y112 HydrophobicContact SD-CD1 4.25Å; M41-Y112 HydrophobicContact SD-CD2 4.46Å; M41-Y112 HydrophobicContact SD-CG 3.9Å; M41-A114 HydrophobicContact SD-CB 3.64Å; M41-L161 HydrophobicContact CB-CD2 3.46Å; M41-L161 VanDerWaalsContact CB-CD2 3.46Å; M41-L161 HydrophobicContact CE-CD2 4.47Å
42V95.7Very high94.8Very high50 Ų5040.1 Ų40.130%0.30326%0.26SS..Hα-helixtrans-68.9-42172.2176.20000110.6A38 L39 A40 L44 G45 A46 L54 L161A38-V42 PolarHBondContact O-N 3.42Å; L39-V42 HydrophobicContact CD1-CB 4.19Å; L39-V42 HydrophobicContact CD1-CG2 4.16Å; L39-V42 WeakPolarHBondContact O-CA 3.33Å; L39-V42 WeakPolarHBondContact O-CB 3.3Å; L39-V42 PolarHBondContact O-N 3.35Å; A40-V42 VanDerWaalsContact C-N 3.34Å; V42-L44 VanDerWaalsContact C-N 3.26Å; V42-L44 PolarHBondContact O-N 3.04Å; V42-G45 PolarHBondContact O-N 2.87Å; V42-A46 PolarHBondContact O-N 2.85Å; V42-A46 VanDerWaalsContact O-N 3.08Å; V42-L54 HydrophobicContact CG1-CD1 3.87Å; V42-L161 HydrophobicContact CG2-CD1 4.01Å; V42-L161 HydrophobicContact CG2-CD2 4.04Å
43I95.9Very high95Very high16 Ų1644.8 Ų44.88%0.08228%0.279CS..Hα-helixtrans-59.9-34.4179.7-69.9168.1000112.2L39 A40 G45 A46 L54 F60L39-I43 WeakPolarHBondContact O-CG1 3.43Å; L39-I43 PolarHBondContact O-N 3.26Å; A40-I43 PolarHBondContact O-N 3.47Å; I43-G45 PolarHBondContact O-N 2.84Å; I43-A46 PolarHBondContact O-N 2.92Å; I43-A46 VanDerWaalsContact O-N 3.09Å; I43-L54 HydrophobicContact CD1-CB 3.81Å; I43-L54 HydrophobicContact CG1-CB 3.6Å; I43-L54 HydrophobicContact CG1-CD1 3.88Å; I43-L54 HydrophobicContact CG1-CG 4.38Å; I43-F60 HydrophobicContact CD1-CD2 3.42Å; I43-F60 VanDerWaalsContact CD1-CD2 3.42Å; I43-F60 HydrophobicContact CD1-CE2 3.8Å
44L95.1Very high95.3Very high37 Ų3744.8 Ų44.819%0.19428%0.28CS..Hα-helixtrans-53.6-35.4173.6-82.8175.1000113A40 V42 H67 Y104 T108 Y112A40-L44 PolarHBondContact O-N 2.55Å; V42-L44 VanDerWaalsContact C-N 3.26Å; V42-L44 PolarHBondContact O-N 3.04Å; L44-H67 VanDerWaalsContact CD2-CD2 3.47Å; L44-H67 WeakPolarHBondContact CD2-CD2 3.48Å; L44-H67 WeakPolarHBondContact CD2-NE2 3.36Å; L44-Y104 HydrophobicContact CB-CD2 4.07Å; L44-Y104 HydrophobicContact CB-CE2 3.94Å; L44-T108 HydrophobicContact CD1-CG2 3.73Å; L44-Y112 HydrophobicContact CD1-CD2 4.03Å; L44-Y112 HydrophobicContact CD1-CE2 3.66Å; L44-Y112 HydrophobicContact CG-CE2 4.44Å
45G95.3Very high95.6Very high46 Ų4645.2 Ų45.247%0.47428%0.284SS..Hα-helixtrans-94.7-15.4179.100000114.1V42 I43V42-G45 PolarHBondContact O-N 2.87Å; I43-G45 PolarHBondContact O-N 2.84Å
46A96.8Very high95.8Very high14 Ų1449.6 Ų49.612%0.11630%0.301CS..  trans-78.1151.9-177.700000112V42 I43 T50 A51 L54V42-A46 PolarHBondContact O-N 2.85Å; V42-A46 VanDerWaalsContact O-N 3.08Å; I43-A46 PolarHBondContact O-N 2.92Å; I43-A46 VanDerWaalsContact O-N 3.09Å; A46-T50 HydrophobicContact CB-CG2 4.08Å; A46-A51 HydrophobicContact CB-CB 3.93Å; A46-L54 HydrophobicContact CB-CD1 4.3Å
47K96.7Very high95.9Very high165 Ų16553.4 Ų53.472%0.71732%0.324SS*.  trans-137.6166.6174.5-60.8-65.9174.6-1670110.4T50 A51K47-T50 PolarHBondContact O-N 3.35Å; K47-A51 PolarHBondContact O-N 3.32Å
48G97.6Very high96.1Very high64 Ų6454 Ų5466%0.6633%0.327SS*.Hα-helixtrans56.6-136.5172.800000113.5T50 A51 A52G48-T50 VanDerWaalsContact C-N 3.3Å; G48-T50 PolarHBondContact O-N 2.88Å; G48-A51 PolarHBondContact O-N 3.17Å; G48-A52 PolarHBondContact O-N 3.01Å; G48-A52 VanDerWaalsContact O-N 3.09Å
49S97.9Very high96.3Very high86 Ų8655.1 Ų55.160%0.60133%0.328SS*.Hα-helixtrans-62.4-34.5-178.152.20000113.2A52 Q53S49-A52 PolarHBondContact O-N 2.73Å; S49-Q53 WeakPolarHBondContact O-CB 3.34Å; S49-Q53 WeakPolarHBondContact O-CG 3.39Å; S49-Q53 PolarHBondContact O-N 3.32Å
50T97.5Very high96.4Very high77 Ų7753.3 Ų53.347%0.47232%0.319SS..Hα-helixtrans-61.6-48177.3-53.20000111A46 K47 G48 L54A46-T50 HydrophobicContact CB-CG2 4.08Å; K47-T50 PolarHBondContact O-N 3.35Å; G48-T50 VanDerWaalsContact C-N 3.3Å; G48-T50 PolarHBondContact O-N 2.88Å; T50-L54 HydrophobicContact CG2-CD1 4.19Å; T50-L54 WeakPolarHBondContact O-CB 3.26Å; T50-L54 VanDerWaalsContact O-CG 3.32Å; T50-L54 WeakPolarHBondContact O-CG 3.39Å; T50-L54 PolarHBondContact O-N 3.39Å; T50-L54 VanDerWaalsContact O-N 3.11Å
51A96.8Very high96.3Very high20 Ų2058.7 Ų58.717%0.16535%0.348CS..Hα-helixtrans-62.9-43.5176.100000111.4A46 K47 G48 Q53 L54 S55A46-A51 HydrophobicContact CB-CB 3.93Å; K47-A51 PolarHBondContact O-N 3.32Å; G48-A51 PolarHBondContact O-N 3.17Å; A51-Q53 PolarHBondContact O-N 3.09Å; A51-L54 PolarHBondContact O-N 3.27Å; A51-S55 WeakPolarHBondContact O-CB 3.38Å; A51-S55 PolarHBondContact O-N 2.88Å; A51-S55 PolarHBondContact O-OG 3.37Å; A51-S55 VanDerWaalsContact O-OG 3.12Å
52A97Very high96.1Very high61 Ų6162 Ų6250%0.50437%0.371SS..Hα-helixtrans-63.1-43-179.200000112.9G48 S49 K56G48-A52 PolarHBondContact O-N 3.01Å; G48-A52 VanDerWaalsContact O-N 3.09Å; S49-A52 PolarHBondContact O-N 2.73Å; A52-K56 WeakPolarHBondContact O-CB 3.26Å; A52-K56 PolarHBondContact O-N 3.28Å
53Q97.6Very high96.1Very high132 Ų13260.2 Ų60.262%0.61736%0.36SS*.Hα-helixtrans-65.9-47.3177.9-74.7175.8-18.400111.4S49 A51 K56 T57S49-Q53 WeakPolarHBondContact O-CB 3.34Å; S49-Q53 WeakPolarHBondContact O-CG 3.39Å; S49-Q53 PolarHBondContact O-N 3.32Å; A51-Q53 PolarHBondContact O-N 3.09Å; Q53-K56 PolarHBondContact O-N 3.08Å; Q53-T57 WeakPolarHBondContact O-CB 3.5Å; Q53-T57 PolarHBondContact O-N 3.47Å; Q53-T57 PolarHBondContact O-OG1 3.48Å; Q53-T57 VanDerWaalsContact O-OG1 3.14Å
54L96.6Very high96Very high33 Ų3365.6 Ų65.617%0.17339%0.385CS..Hα-helixtrans-60.2-47.9176.8-71.6174.1000111.3L39 V42 I43 A46 T50 A51 K56 T57 F58L39-L54 HydrophobicContact CD1-CD2 3.94Å; V42-L54 HydrophobicContact CG1-CD1 3.87Å; I43-L54 HydrophobicContact CD1-CB 3.81Å; I43-L54 HydrophobicContact CG1-CB 3.6Å; I43-L54 HydrophobicContact CG1-CD1 3.88Å; I43-L54 HydrophobicContact CG1-CG 4.38Å; A46-L54 HydrophobicContact CB-CD1 4.3Å; T50-L54 HydrophobicContact CG2-CD1 4.19Å; T50-L54 WeakPolarHBondContact O-CB 3.26Å; T50-L54 VanDerWaalsContact O-CG 3.32Å; T50-L54 WeakPolarHBondContact O-CG 3.39Å; T50-L54 PolarHBondContact O-N 3.39Å; T50-L54 VanDerWaalsContact O-N 3.11Å; A51-L54 PolarHBondContact O-N 3.27Å; L54-K56 VanDerWaalsContact C-N 3.3Å; L54-K56 PolarHBondContact O-N 3.01Å; L54-T57 PolarHBondContact O-N 3.43Å; L54-F58 HydrophobicContact CD2-CE2 4.46Å; L54-F58 VanDerWaalsContact O-CD2 3.29Å; L54-F58 WeakPolarHBondContact O-CD2 3.31Å; L54-F58 PolarHBondContact O-N 3.49Å; L54-F58 VanDerWaalsContact O-N 3.13Å
55S96.1Very high95.9Very high29 Ų2969.6 Ų69.620%0.20341%0.406CS..Hα-helixtrans-60.8-40.6179.3-67.30000112.1A51 H59 F60 D61A51-S55 WeakPolarHBondContact O-CB 3.38Å; A51-S55 PolarHBondContact O-N 2.88Å; A51-S55 PolarHBondContact O-OG 3.37Å; A51-S55 VanDerWaalsContact O-OG 3.12Å; S55-H59 CarbonylContact O-C 3.58Å; S55-H59 PolarHBondContact O-N 3.04Å; S55-H59 VanDerWaalsContact O-N 3.14Å; S55-F60 PolarHBondContact O-N 3.2Å; S55-D61 PolarHBondContact O-N 3.45Å
56K97Very high95.8Very high149 Ų14968.4 Ų68.465%0.64839%0.389SS*.Hα-helixtrans-67.2-47.1178.2-174.4177.6-178.7-179.90112.6A52 Q53 L54 F58 H59A52-K56 WeakPolarHBondContact O-CB 3.26Å; A52-K56 PolarHBondContact O-N 3.28Å; Q53-K56 PolarHBondContact O-N 3.08Å; L54-K56 VanDerWaalsContact C-N 3.3Å; L54-K56 PolarHBondContact O-N 3.01Å; K56-F58 PolarHBondContact O-N 3.07Å; K56-H59 PolarHBondContact O-N 3.47Å; K56-H59 VanDerWaalsContact O-N 3.12Å
57T96.4Very high95.7Very high79 Ų7969.6 Ų69.649%0.48539%0.392SS..Hα-helixtrans-61.9-33.8-179.1-65.20000112.3Q53 L54Q53-T57 WeakPolarHBondContact O-CB 3.5Å; Q53-T57 PolarHBondContact O-N 3.47Å; Q53-T57 PolarHBondContact O-OG1 3.48Å; Q53-T57 VanDerWaalsContact O-OG1 3.14Å; L54-T57 PolarHBondContact O-N 3.43Å
58F96.3Very high95.6Very high14 Ų1464.1 Ų64.16%0.06137%0.374CS..THydrogen-bonded Turntrans-95.17.5179.3-72.8-97.4000113.2F11 I35 L39 L54 K56 F60F11-F58 AromaticContact CD1-CD1 3.94Å; F11-F58 HydrophobicContact CD1-CD1 3.94Å; F11-F58 AromaticContact CD1-CE1 3.95Å; F11-F58 HydrophobicContact CD1-CE1 3.95Å; F11-F58 AromaticContact CD2-CD1 3.9Å; F11-F58 HydrophobicContact CD2-CD1 3.9Å; F11-F58 HydrophobicContact CD2-CE1 4Å; F11-F58 HydrophobicContact CD2-CG 4.32Å; F11-F58 HydrophobicContact CD2-CZ 4.47Å; F11-F58 AromaticContact CE1-CD1 3.95Å; F11-F58 HydrophobicContact CE1-CD1 3.95Å; F11-F58 AromaticContact CE1-CE1 3.46Å; F11-F58 HydrophobicContact CE1-CE1 3.46Å; F11-F58 VanDerWaalsContact CE1-CE1 3.46Å; F11-F58 HydrophobicContact CE1-CZ 4.29Å; F11-F58 AromaticContact CE2-CD1 3.91Å; F11-F58 HydrophobicContact CE2-CD1 3.91Å; F11-F58 AromaticContact CE2-CE1 3.52Å; F11-F58 HydrophobicContact CE2-CE1 3.52Å; F11-F58 HydrophobicContact CE2-CE2 4.31Å; F11-F58 HydrophobicContact CE2-CG 4.46Å; F11-F58 AromaticContact CE2-CZ 3.71Å; F11-F58 HydrophobicContact CE2-CZ 3.71Å; F11-F58 AromaticContact CG-CD1 3.92Å; F11-F58 HydrophobicContact CG-CD1 3.92Å; F11-F58 HydrophobicContact CG-CE1 4.2Å; F11-F58 AromaticContact CZ-CD1 3.94Å; F11-F58 HydrophobicContact CZ-CD1 3.94Å; F11-F58 AromaticContact CZ-CE1 3.22Å; F11-F58 HydrophobicContact CZ-CE1 3.22Å; F11-F58 AromaticContact CZ-CZ 3.61Å; F11-F58 HydrophobicContact CZ-CZ 3.61Å; I35-F58 HydrophobicContact CG2-CE1 4.14Å; I35-F58 HydrophobicContact CG2-CZ 4.36Å; L39-F58 HydrophobicContact CB-CD1 4.43Å; L39-F58 HydrophobicContact CB-CD2 4.47Å; L39-F58 HydrophobicContact CB-CE1 3.89Å; L39-F58 HydrophobicContact CB-CE2 3.95Å; L39-F58 HydrophobicContact CB-CZ 3.67Å; L39-F58 HydrophobicContact CD2-CZ 4.05Å; L39-F58 HydrophobicContact CG-CE1 4.1Å; L39-F58 HydrophobicContact CG-CE2 3.77Å; L39-F58 HydrophobicContact CG-CZ 3.42Å; L39-F58 VanDerWaalsContact CG-CZ 3.42Å; L54-F58 HydrophobicContact CD2-CE2 4.46Å; L54-F58 VanDerWaalsContact O-CD2 3.29Å; L54-F58 WeakPolarHBondContact O-CD2 3.31Å; L54-F58 PolarHBondContact O-N 3.49Å; L54-F58 VanDerWaalsContact O-N 3.13Å; K56-F58 PolarHBondContact O-N 3.07Å; F58-F60 HydrophobicContact CB-CD1 3.92Å; F58-F60 HydrophobicContact CB-CD2 3.45Å; F58-F60 VanDerWaalsContact CB-CD2 3.45Å; F58-F60 HydrophobicContact CB-CE1 3.87Å; F58-F60 HydrophobicContact CB-CE2 3.4Å; F58-F60 VanDerWaalsContact CB-CE2 3.4Å; F58-F60 HydrophobicContact CB-CG 3.73Å; F58-F60 HydrophobicContact CB-CZ 3.62Å; F58-F60 HydrophobicContact CD1-CE2 4.19Å; F58-F60 HydrophobicContact CD1-CZ 4.07Å; F58-F60 HydrophobicContact CG-CD2 4.34Å; F58-F60 AromaticContact CG-CE2 3.91Å; F58-F60 HydrophobicContact CG-CE2 3.91Å; F58-F60 HydrophobicContact CG-CZ 4.16Å; F58-F60 WeakPolarHBondContact O-CD1 3.03Å; F58-F60 WeakPolarHBondContact O-CE1 3.36Å; F58-F60 PolarHBondContact O-N 3.35Å; F58-F60 VanDerWaalsContact O-N 3.14Å
59H96.8Very high95.5Very high39 Ų3963.7 Ų63.718%0.18135%0.353CS..THydrogen-bonded Turntrans57.222.7-177.8-55.8-88.5000114.3A7 E14 S55 K56 D61 S62A7-H59 HydrophobicContact CB-CB 3.85Å; A7-H59 WeakPolarHBondContact CB-O 3.43Å; E14-H59 IonicContact OE1-CE1 3.31Å; E14-H59 PolarHBondContact OE1-CE1 3.32Å; E14-H59 VanDerWaalsContact OE1-CE1 3.31Å; E14-H59 IonicContact OE1-NE2 3.43Å; E14-H59 PolarHBondContact OE1-NE2 2.95Å; E14-H59 VanDerWaalsContact OE1-NE2 3.13Å; E14-H59 IonicContact OE2-CD2 2.8Å; E14-H59 IonicContact OE2-CE1 3.72Å; E14-H59 IonicContact OE2-NE2 2.86Å; E14-H59 PolarHBondContact OE2-NE2 2.82Å; S55-H59 CarbonylContact O-C 3.58Å; S55-H59 PolarHBondContact O-N 3.04Å; S55-H59 VanDerWaalsContact O-N 3.14Å; K56-H59 PolarHBondContact O-N 3.47Å; K56-H59 VanDerWaalsContact O-N 3.12Å; H59-D61 VanDerWaalsContact C-N 3.32Å; H59-D61 VanDerWaalsContact C-OD1 3.3Å; H59-S62 PolarHBondContact O-N 2.99Å; H59-S62 PolarHBondContact O-OG 2.86Å
60F95.5Very high95.2Very high8 Ų859.6 Ų59.64%0.03532%0.324CS..G310 helixtrans-77.8-17-177.4-68-19.8000113.5L4 A7 A40 I43 S55 F58 S62 V63 I66 F70L4-F60 HydrophobicContact CD1-CE1 4.27Å; A7-F60 HydrophobicContact CB-CD1 4.44Å; A40-F60 HydrophobicContact CB-CE2 4Å; A40-F60 HydrophobicContact CB-CZ 4.32Å; I43-F60 HydrophobicContact CD1-CD2 3.42Å; I43-F60 VanDerWaalsContact CD1-CD2 3.42Å; I43-F60 HydrophobicContact CD1-CE2 3.8Å; S55-F60 PolarHBondContact O-N 3.2Å; F58-F60 HydrophobicContact CB-CD1 3.92Å; F58-F60 HydrophobicContact CB-CD2 3.45Å; F58-F60 VanDerWaalsContact CB-CD2 3.45Å; F58-F60 HydrophobicContact CB-CE1 3.87Å; F58-F60 HydrophobicContact CB-CE2 3.4Å; F58-F60 VanDerWaalsContact CB-CE2 3.4Å; F58-F60 HydrophobicContact CB-CG 3.73Å; F58-F60 HydrophobicContact CB-CZ 3.62Å; F58-F60 HydrophobicContact CD1-CE2 4.19Å; F58-F60 HydrophobicContact CD1-CZ 4.07Å; F58-F60 HydrophobicContact CG-CD2 4.34Å; F58-F60 AromaticContact CG-CE2 3.91Å; F58-F60 HydrophobicContact CG-CE2 3.91Å; F58-F60 HydrophobicContact CG-CZ 4.16Å; F58-F60 WeakPolarHBondContact O-CD1 3.03Å; F58-F60 WeakPolarHBondContact O-CE1 3.36Å; F58-F60 PolarHBondContact O-N 3.35Å; F58-F60 VanDerWaalsContact O-N 3.14Å; F60-S62 PolarHBondContact O-N 2.76Å; F60-V63 PolarHBondContact O-N 3.43Å; F60-V63 VanDerWaalsContact O-N 3.09Å; F60-I66 HydrophobicContact CB-CD1 3.34Å; F60-I66 HydrophobicContact CD1-CD1 3.28Å; F60-I66 HydrophobicContact CD2-CD1 3.26Å; F60-I66 HydrophobicContact CE1-CD1 3.76Å; F60-I66 HydrophobicContact CE2-CD1 3.74Å; F60-I66 HydrophobicContact CG-CD1 3Å; F60-I66 HydrophobicContact CG-CG1 4.46Å; F60-I66 HydrophobicContact CZ-CD1 3.97Å; F60-F70 AromaticContact CE1-CE2 3.93Å; F60-F70 HydrophobicContact CE1-CE2 3.93Å; F60-F70 HydrophobicContact CE1-CZ 4.16Å; F60-F70 HydrophobicContact CE2-CE2 4.5Å; F60-F70 AromaticContact CZ-CE2 3.75Å; F60-F70 HydrophobicContact CZ-CE2 3.75Å; F60-F70 AromaticContact CZ-CZ 3.89Å; F60-F70 HydrophobicContact CZ-CZ 3.89Å
61D93Very high95Very high114 Ų11459.3 Ų59.361%0.6132%0.317SS*.G310 helixtrans-62.3-24.317060.2-30.4000113S55 H59 V63S55-D61 PolarHBondContact O-N 3.45Å; H59-D61 VanDerWaalsContact C-N 3.32Å; H59-D61 VanDerWaalsContact C-OD1 3.3Å; D61-V63 VanDerWaalsContact C-N 3.34Å
62S91.4Very high94.8Very high70 Ų7061.3 Ų61.349%0.4933%0.33SS..G310 helixtrans-86.2-1.3173.574.40000114.4H59 F60H59-S62 PolarHBondContact O-N 2.99Å; H59-S62 PolarHBondContact O-OG 2.86Å; F60-S62 PolarHBondContact O-N 2.76Å
63V94.3Very high94.4Very high11 Ų1159.9 Ų59.97%0.06731%0.314CS..  trans-113.2109.6-171.8-173.80000110.7Q3 L4 A7 F60 D61 I66Q3-V63 HydrophobicContact CB-CG1 4.34Å; Q3-V63 HydrophobicContact CB-CG2 4.32Å; L4-V63 HydrophobicContact CB-CG1 4.13Å; L4-V63 HydrophobicContact CD1-CG1 4.46Å; A7-V63 HydrophobicContact CB-CG2 3.61Å; F60-V63 PolarHBondContact O-N 3.43Å; F60-V63 VanDerWaalsContact O-N 3.09Å; D61-V63 VanDerWaalsContact C-N 3.34Å; V63-I66 HydrophobicContact CG1-CB 4.24Å
64E93.3Very high93.8Very high129 Ų12954.1 Ų54.160%0.60329%0.287SS*.THydrogen-bonded Turntrans-66.8141.5172-65.7177175.100111.1I66 R69E64-I66 PolarHBondContact O-N 2.82Å; E64-I66 VanDerWaalsContact O-N 3.17Å; E64-R69 VanDerWaalsContact O-CD 3.29Å; E64-R69 WeakPolarHBondContact O-CD 3.34Å; E64-R69 PolarHBondContact O-NE 3.47Å
65D93Very high93.4Very high121 Ų12155.4 Ų55.465%0.64730%0.302SS*.THydrogen-bonded Turntrans48.942.5176.7-61.8-39.4000114.2H67 S68 R69D65-H67 VanDerWaalsContact C-N 3.27Å; D65-H67 PolarHBondContact O-N 2.83Å; D65-H67 VanDerWaalsContact O-N 3.09Å; D65-S68 WeakPolarHBondContact O-CB 3.35Å; D65-S68 PolarHBondContact O-N 3.02Å; D65-R69 PolarHBondContact O-N 2.83Å
66I94.7Very high92.8Very high22 Ų2258.7 Ų58.711%0.11332%0.315CS..Hα-helixtrans-43.6-48.3-174.7177.2162.9000114.4F60 V63 E64 S68 R69 F70F60-I66 HydrophobicContact CB-CD1 3.34Å; F60-I66 HydrophobicContact CD1-CD1 3.28Å; F60-I66 HydrophobicContact CD2-CD1 3.26Å; F60-I66 HydrophobicContact CE1-CD1 3.76Å; F60-I66 HydrophobicContact CE2-CD1 3.74Å; F60-I66 HydrophobicContact CG-CD1 3Å; F60-I66 HydrophobicContact CG-CG1 4.46Å; F60-I66 HydrophobicContact CZ-CD1 3.97Å; V63-I66 HydrophobicContact CG1-CB 4.24Å; E64-I66 PolarHBondContact O-N 2.82Å; E64-I66 VanDerWaalsContact O-N 3.17Å; I66-S68 PolarHBondContact O-N 3.15Å; I66-R69 PolarHBondContact O-N 3.32Å; I66-F70 HydrophobicContact CD1-CD2 4.32Å; I66-F70 HydrophobicContact CD1-CE2 4Å; I66-F70 HydrophobicContact CG1-CD2 3.7Å; I66-F70 HydrophobicContact CG1-CE2 3.86Å; I66-F70 PolarHBondContact O-N 3.47Å
67H94.9Very high92.1Very high39 Ų3952.9 Ų52.918%0.18129%0.291CS..Hα-helixtrans-67.4-37.7-176.2-56.7-58.3000112.1A40 L44 D65 R69 F70 Q71 M111 Y112A40-H67 PolarHBondContact O-CE1 3.46Å; L44-H67 VanDerWaalsContact CD2-CD2 3.47Å; L44-H67 WeakPolarHBondContact CD2-CD2 3.48Å; L44-H67 WeakPolarHBondContact CD2-NE2 3.36Å; D65-H67 VanDerWaalsContact C-N 3.27Å; D65-H67 PolarHBondContact O-N 2.83Å; D65-H67 VanDerWaalsContact O-N 3.09Å; H67-R69 VanDerWaalsContact C-N 3.3Å; H67-R69 PolarHBondContact O-N 2.89Å; H67-F70 PolarHBondContact O-N 3.01Å; H67-Q71 WeakPolarHBondContact O-CB 3.46Å; H67-Q71 PolarHBondContact O-N 3.47Å; H67-M111 HydrophobicContact CB-CB 4.26Å; H67-M111 HydrophobicContact CB-CG 4.02Å; H67-Y112 HydrophobicContact CB-CE2 4.47Å; H67-Y112 AromaticContact ND1-CE2 3.82Å; H67-Y112 AromaticContact ND1-CZ 3.75Å; H67-Y112 PolarHBondContact ND1-OH 3.42Å
68S94.1Very high91.2Very high49 Ų4951.9 Ų51.934%0.34329%0.288SS..Hα-helixtrans-66.3-33.7173.9-55.10000111.7D65 I66 Q71 S72D65-S68 WeakPolarHBondContact O-CB 3.35Å; D65-S68 PolarHBondContact O-N 3.02Å; I66-S68 PolarHBondContact O-N 3.15Å; S68-Q71 WeakPolarHBondContact O-CB 3.42Å; S68-Q71 PolarHBondContact O-N 3.48Å; S68-S72 PolarHBondContact O-N 3.15Å; S68-S72 PolarHBondContact O-OG 2.89Å; S68-S72 VanDerWaalsContact O-OG 3.07Å
69R94.2Very high90.4Very high56 Ų5657.7 Ų57.721%0.21131%0.313CS..Hα-helixtrans-71.6-40.7174.8-64.3-174.4-173-112.7-9.4111.9Q3 L4 E64 D65 I66 H67 Q71 S72 L73Q3-R69 VanDerWaalsContact OE1-NH1 3.12Å; Q3-R69 VanDerWaalsContact OE1-NH2 3.08Å; L4-R69 HydrophobicContact CB-CB 4.25Å; L4-R69 HydrophobicContact CD2-CB 3.66Å; E64-R69 VanDerWaalsContact O-CD 3.29Å; E64-R69 WeakPolarHBondContact O-CD 3.34Å; E64-R69 PolarHBondContact O-NE 3.47Å; D65-R69 PolarHBondContact O-N 2.83Å; I66-R69 PolarHBondContact O-N 3.32Å; H67-R69 VanDerWaalsContact C-N 3.3Å; H67-R69 PolarHBondContact O-N 2.89Å; R69-Q71 VanDerWaalsContact C-N 3.32Å; R69-S72 PolarHBondContact O-N 2.81Å; R69-L73 WeakPolarHBondContact O-CB 3.49Å; R69-L73 PolarHBondContact O-N 2.91Å
70F92.9Very high88.9Confident0 Ų067.5 Ų67.50%035%0.348CS..Hα-helixtrans-62-40.1170.7-93.8-74.5000111.7L4 F33 A40 F60 I66 H67 S72 L73 N74 Y112L4-F70 HydrophobicContact CD1-CD2 4Å; L4-F70 HydrophobicContact CD1-CE2 3.51Å; L4-F70 HydrophobicContact CD1-CZ 3.88Å; L4-F70 HydrophobicContact CD2-CD1 4.43Å; L4-F70 HydrophobicContact CD2-CD2 4.07Å; L4-F70 HydrophobicContact CD2-CE2 4.3Å; L4-F70 HydrophobicContact CD2-CG 4.14Å; F33-F70 HydrophobicContact CD2-CE1 4.18Å; F33-F70 HydrophobicContact CE2-CD1 4.01Å; F33-F70 AromaticContact CE2-CE1 3.75Å; F33-F70 HydrophobicContact CE2-CE1 3.75Å; A40-F70 HydrophobicContact CB-CD2 3.93Å; A40-F70 HydrophobicContact CB-CE2 3.68Å; A40-F70 HydrophobicContact CB-CZ 4.17Å; F60-F70 AromaticContact CE1-CE2 3.93Å; F60-F70 HydrophobicContact CE1-CE2 3.93Å; F60-F70 HydrophobicContact CE1-CZ 4.16Å; F60-F70 HydrophobicContact CE2-CE2 4.5Å; F60-F70 AromaticContact CZ-CE2 3.75Å; F60-F70 HydrophobicContact CZ-CE2 3.75Å; F60-F70 AromaticContact CZ-CZ 3.89Å; F60-F70 HydrophobicContact CZ-CZ 3.89Å; I66-F70 HydrophobicContact CD1-CD2 4.32Å; I66-F70 HydrophobicContact CD1-CE2 4Å; I66-F70 HydrophobicContact CG1-CD2 3.7Å; I66-F70 HydrophobicContact CG1-CE2 3.86Å; I66-F70 PolarHBondContact O-N 3.47Å; H67-F70 PolarHBondContact O-N 3.01Å; F70-S72 PolarHBondContact O-N 2.79Å; F70-L73 PolarHBondContact O-N 3.13Å; F70-N74 VanDerWaalsContact O-CB 3.27Å; F70-N74 WeakPolarHBondContact O-CB 3.25Å; F70-N74 PolarHBondContact O-N 2.86Å; F70-N74 PolarHBondContact O-ND2 2.57Å; F70-N74 PolarHBondContact O-OD1 2.69Å; F70-Y112 HydrophobicContact CB-CE1 3.66Å; F70-Y112 HydrophobicContact CD1-CE1 4.17Å; F70-Y112 HydrophobicContact CD2-CE1 4.42Å; F70-Y112 AromaticContact CG-CE1 3.85Å; F70-Y112 HydrophobicContact CG-CE1 3.85Å
71Q93.1Very high87.4Confident71 Ų7168.5 Ų68.533%0.33236%0.361SS..Hα-helixtrans-58.2-49.1174.9-171.7-17139.700111.4H67 S68 R69 L73 N74 A75 K110 M111H67-Q71 WeakPolarHBondContact O-CB 3.46Å; H67-Q71 PolarHBondContact O-N 3.47Å; S68-Q71 WeakPolarHBondContact O-CB 3.42Å; S68-Q71 PolarHBondContact O-N 3.48Å; R69-Q71 VanDerWaalsContact C-N 3.32Å; Q71-L73 PolarHBondContact O-N 2.85Å; Q71-N74 PolarHBondContact O-N 3Å; Q71-A75 WeakPolarHBondContact O-CB 3.46Å; Q71-A75 PolarHBondContact O-N 3.07Å; Q71-K110 PolarHBondContact NE2-O 3.07Å; Q71-M111 VanDerWaalsContact CA-O 3.25Å; Q71-M111 WeakPolarHBondContact CA-O 3.23Å; Q71-M111 WeakPolarHBondContact CB-O 3.37Å; Q71-M111 HydrophobicContact CB-SD 4.3Å
72S91.6Very high86Confident61 Ų6168.6 Ų68.643%0.42738%0.378SS..Hα-helixtrans-59.9-45.9176.3-600000111.9S68 R69 F70 A75 E76S68-S72 PolarHBondContact O-N 3.15Å; S68-S72 PolarHBondContact O-OG 2.89Å; S68-S72 VanDerWaalsContact O-OG 3.07Å; R69-S72 PolarHBondContact O-N 2.81Å; F70-S72 PolarHBondContact O-N 2.79Å; S72-A75 WeakPolarHBondContact O-CB 3.47Å; S72-A75 PolarHBondContact O-N 3.24Å; S72-E76 PolarHBondContact O-N 3.4Å
73L88.6Confident85Confident31 Ų3168.2 Ų68.216%0.16238%0.375CS..Hα-helixtrans-64-44.4179.2-178.249.8000112M1 L4 F33 R69 F70 Q71 A75 E76 V77M1-L73 HydrophobicContact CE-CB 3.64Å; M1-L73 HydrophobicContact CE-CD1 3.53Å; M1-L73 HydrophobicContact CE-CD2 4.4Å; M1-L73 HydrophobicContact CE-CG 4.01Å; L4-L73 HydrophobicContact CD2-CB 4.5Å; L4-L73 HydrophobicContact CD2-CD2 3.97Å; F33-L73 HydrophobicContact CD2-CD2 3.89Å; F33-L73 HydrophobicContact CE2-CD2 3.35Å; F33-L73 HydrophobicContact CE2-CG 3.73Å; F33-L73 HydrophobicContact CZ-CD2 4.2Å; F33-L73 HydrophobicContact CZ-CG 4.08Å; R69-L73 WeakPolarHBondContact O-CB 3.49Å; R69-L73 PolarHBondContact O-N 2.91Å; F70-L73 PolarHBondContact O-N 3.13Å; Q71-L73 PolarHBondContact O-N 2.85Å; L73-A75 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 3.24Å; L73-E76 PolarHBondContact O-N 3.44Å; L73-V77 HydrophobicContact CD1-CG2 3.8Å; L73-V77 HydrophobicContact CG-CG2 4.33Å; L73-V77 WeakPolarHBondContact O-CB 3.47Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 3.17Å
74N86.8Confident84.3Confident12 Ų1270.8 Ų70.86%0.06439%0.386CS..Hα-helixtrans-59.8-41176.3-69.6-19.4000110.8F33 F70 Q71 S78 L88F33-N74 WeakPolarHBondContact CZ-OD1 3.4Å; F70-N74 VanDerWaalsContact O-CB 3.27Å; F70-N74 WeakPolarHBondContact O-CB 3.25Å; F70-N74 PolarHBondContact O-N 2.86Å; F70-N74 PolarHBondContact O-ND2 2.57Å; F70-N74 PolarHBondContact O-OD1 2.69Å; Q71-N74 PolarHBondContact O-N 3Å; N74-S78 VanDerWaalsContact O-CB 3.23Å; N74-S78 WeakPolarHBondContact O-CB 3.41Å; N74-S78 PolarHBondContact O-N 3.36Å; N74-S78 PolarHBondContact O-OG 3.41Å; N74-L88 HydrophobicContact CB-CD2 4.12Å; N74-L88 WeakPolarHBondContact OD1-CD2 3.42Å
75A86.6Confident83.6Confident59 Ų5967.6 Ų67.649%0.48838%0.376SS..Hα-helixtrans-65.6-39.2176.700000112Q71 S72 L73 K79Q71-A75 WeakPolarHBondContact O-CB 3.46Å; Q71-A75 PolarHBondContact O-N 3.07Å; S72-A75 WeakPolarHBondContact O-CB 3.47Å; S72-A75 PolarHBondContact O-N 3.24Å; L73-A75 VanDerWaalsContact C-N 3.27Å; L73-A75 PolarHBondContact O-N 3.24Å; A75-K79 WeakPolarHBondContact O-CG 3.49Å; A75-K79 PolarHBondContact O-N 3.28Å
76E85.2Confident83.2Confident99 Ų9964.2 Ų64.246%0.46336%0.357SS..Hα-helixtrans-68.6-46.2175.7-73.8-179.3173.200112.7S72 L73 S78 K79S72-E76 PolarHBondContact O-N 3.4Å; L73-E76 PolarHBondContact O-N 3.44Å; E76-S78 VanDerWaalsContact C-N 3.26Å; E76-S78 PolarHBondContact O-N 3.21Å; E76-K79 WeakPolarHBondContact O-CB 3.44Å; E76-K79 PolarHBondContact O-N 3.34Å
77V81.6Confident82.6Confident26 Ų2666.5 Ų66.516%0.15837%0.366CS..Hα-helixtrans-63.1-33178.7165.10000112L73 K79 L86 L88L73-V77 HydrophobicContact CD1-CG2 3.8Å; L73-V77 HydrophobicContact CG-CG2 4.33Å; L73-V77 WeakPolarHBondContact O-CB 3.47Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.46Å; L73-V77 PolarHBondContact O-N 3.17Å; V77-K79 VanDerWaalsContact C-N 3.32Å; V77-L86 HydrophobicContact CB-CD2 4.4Å; V77-L86 HydrophobicContact CG1-CD1 4.47Å; V77-L86 HydrophobicContact CG1-CD2 3.67Å; V77-L86 HydrophobicContact CG1-CG 3.84Å; V77-L88 HydrophobicContact CB-CD2 4.48Å; V77-L88 HydrophobicContact CG1-CB 3.93Å; V77-L88 HydrophobicContact CG1-CD2 4Å
78S76.3Confident82.2Confident58 Ų5865.7 Ų65.741%0.40636%0.363SS..THydrogen-bonded Turntrans-84.3-3.7-179.7-54.80000113.6N74 E76 R80N74-S78 VanDerWaalsContact O-CB 3.23Å; N74-S78 WeakPolarHBondContact O-CB 3.41Å; N74-S78 PolarHBondContact O-N 3.36Å; N74-S78 PolarHBondContact O-OG 3.41Å; E76-S78 VanDerWaalsContact C-N 3.26Å; E76-S78 PolarHBondContact O-N 3.21Å; S78-R80 PolarHBondContact O-N 3.06Å
79K79.9Confident81.9Confident136 Ų13664 Ų6459%0.59135%0.352SS*.SBendtrans-65.4125.6174.2-76169.3-172.21730109.1A75 E76 V77 G81A75-K79 WeakPolarHBondContact O-CG 3.49Å; A75-K79 PolarHBondContact O-N 3.28Å; E76-K79 WeakPolarHBondContact O-CB 3.44Å; E76-K79 PolarHBondContact O-N 3.34Å; V77-K79 VanDerWaalsContact C-N 3.32Å; K79-G81 PolarHBondContact O-N 3.38Å
80R65.9Low81.8Confident245 Ų24562 Ų6293%0.92535%0.345SS*.PPolyproline II helixtrans-71.9117.1174.9-67.2-173.7179.9-160.51.5109.6S78S78-R80 PolarHBondContact O-N 3.06Å
81G64.8Low81.9Confident30 Ų3065.3 Ų65.331%0.30936%0.358SS..BIsolated β-bridgetrans-90.9153165.300000111.4K79 S83K79-G81 PolarHBondContact O-N 3.38Å; G81-S83 PolarHBondContact O-N 2.86Å
82A61.8Low82.1Confident116 Ų11662 Ų6296%0.95934%0.342SS*.THydrogen-bonded Turntrans-68.1-23.1174.800000113
83S72.1Confident82.4Confident61 Ų6159 Ų5943%0.42732%0.322SS..THydrogen-bonded Turntrans-103.6-2.7-171.856.90000115.3G81 M170G81-S83 PolarHBondContact O-N 2.86Å; S83-M170 VanDerWaalsContact O-CB 3.31Å; S83-M170 WeakPolarHBondContact O-CB 3.48Å; S83-M170 WeakPolarHBondContact O-CG 3.43Å; S83-M170 PolarHBondContact O-N 2.92Å; S83-M170 VanDerWaalsContact O-N 3.07Å
84H77.8Confident82.9Confident65 Ų6557.6 Ų57.630%0.30132%0.315SS..EExtended strand (participates in β ladder)trans-154.1152.7-179.261.9-82.7000112F167 K168H84-F167 HydrophobicContact CB-CE2 4.08Å; H84-K168 WeakPolarHBondContact CA-O 3.49Å
85T80.1Confident83.5Confident63 Ų6357.1 Ų57.139%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-106111.2166.5-570000108.1K87 Y166 F167 K168T85-K87 HydrophobicContact CG2-CG 4.17Å; T85-Y166 HydrophobicContact CG2-CD1 4.22Å; T85-Y166 HydrophobicContact CG2-CE1 4.02Å; T85-F167 CarbonylContact O-C 3.57Å; T85-F167 WeakPolarHBondContact O-CA 3.37Å; T85-K168 PolarHBondContact N-O 3Å; T85-K168 PolarHBondContact O-N 3.04Å
86L83.4Confident84Confident49 Ų4959.9 Ų59.926%0.25731%0.313SS..EExtended strand (participates in β ladder)trans-118120.9169.3-176.653.3000107.8V77 I165 Y166 F167V77-L86 HydrophobicContact CB-CD2 4.4Å; V77-L86 HydrophobicContact CG1-CD1 4.47Å; V77-L86 HydrophobicContact CG1-CD2 3.67Å; V77-L86 HydrophobicContact CG1-CG 3.84Å; L86-I165 HydrophobicContact CD1-CD1 4.32Å; L86-I165 HydrophobicContact CD1-CG1 4.17Å; L86-Y166 CarbonylContact C-O 3.58Å; L86-Y166 WeakPolarHBondContact CA-O 3.48Å; L86-F167 HydrophobicContact CB-CD2 4.35Å; L86-F167 HydrophobicContact CD1-CB 4.04Å; L86-F167 HydrophobicContact CD1-CD2 4.11Å
87K83.6Confident84.6Confident70 Ų7059.1 Ų59.130%0.30432%0.315SS..EExtended strand (participates in β ladder)trans-116.7131.6175.6-61.9-173.6173.5-164.90108.4T85 Q139 E141 I165 Y166T85-K87 HydrophobicContact CG2-CG 4.17Å; K87-Q139 WeakPolarHBondContact CD-O 3.44Å; K87-E141 WeakPolarHBondContact CE-OE1 3.49Å; K87-E141 IonicContact NZ-OE1 3.83Å; K87-E141 PolarHBondContact NZ-OE1 3.29Å; K87-I165 CarbonylContact O-C 3.57Å; K87-I165 VanDerWaalsContact O-CA 3.3Å; K87-I165 WeakPolarHBondContact O-CA 3.38Å; K87-Y166 HydrophobicContact CD-CD1 4.39Å; K87-Y166 HydrophobicContact CG-CD1 4.41Å; K87-Y166 PolarHBondContact N-O 3.37Å; K87-Y166 PolarHBondContact O-N 3.35Å
88L86.1Confident85.3Confident23 Ų2363.6 Ų63.612%0.1233%0.33CS..EExtended strand (participates in β ladder)trans-129.6123.5171.3-178.970000107.1F33 N74 V77 N163 I165F33-L88 HydrophobicContact CD1-CD1 4.33Å; F33-L88 HydrophobicContact CE1-CD1 3.67Å; F33-L88 HydrophobicContact CE1-CD2 3.55Å; F33-L88 HydrophobicContact CE1-CG 4.23Å; F33-L88 HydrophobicContact CZ-CD2 3.8Å; N74-L88 HydrophobicContact CB-CD2 4.12Å; N74-L88 WeakPolarHBondContact OD1-CD2 3.42Å; V77-L88 HydrophobicContact CB-CD2 4.48Å; V77-L88 HydrophobicContact CG1-CB 3.93Å; V77-L88 HydrophobicContact CG1-CD2 4Å; L88-N163 WeakPolarHBondContact CD1-ND2 3.38Å; L88-I165 HydrophobicContact CD1-CB 4.25Å; L88-I165 HydrophobicContact CD1-CD1 4.33Å; L88-I165 HydrophobicContact CD1-CG1 4.33Å
89A86.5Confident86.3Confident13 Ų1368 Ų6811%0.10735%0.349CS..EExtended strand (participates in β ladder)trans-135.7130.9178.800000110W135 Q139 A164A89-W135 HydrophobicContact CB-CH2 3.66Å; A89-W135 HydrophobicContact CB-CZ2 3.82Å; A89-Q139 HydrophobicContact CB-CB 4.22Å; A89-Q139 HydrophobicContact CB-CG 3.74Å; A89-A164 PolarHBondContact N-O 3.17Å; A89-A164 PolarHBondContact O-N 3.4Å
90N92.7Very high87.2Confident13 Ų1363.5 Ų63.57%0.0733%0.33CS..EExtended strand (participates in β ladder)trans-113143.4174.1-62.1-59000109M41 Y112 A114 V162 N163M41-N90 HydrophobicContact CE-CB 3.99Å; M41-N90 HydrophobicContact SD-CB 4.04Å; N90-Y112 PolarHBondContact ND2-O 2.87Å; N90-A114 HydrophobicContact CB-CB 3.59Å; N90-V162 CarbonylContact C-O 3.56Å; N90-V162 WeakPolarHBondContact CA-O 3.31Å; N90-N163 PolarHBondContact OD1-ND2 2.89Å
91R95.6Very high88.7Confident71 Ų7157.8 Ų57.827%0.26832%0.317SS..EExtended strand (participates in β ladder)trans-152.2147.5171.9-158.3167.8-162.1-1772.1111.8Y93 D115 W135 V162R91-Y93 HydrophobicContact CB-CE2 4.03Å; R91-Y93 HydrophobicContact CG-CD2 4.48Å; R91-Y93 HydrophobicContact CG-CE2 4.02Å; R91-D115 VanDerWaalsContact CG-O 3.3Å; R91-D115 WeakPolarHBondContact CG-O 3.24Å; R91-W135 HydrophobicContact CB-CH2 3.66Å; R91-W135 HydrophobicContact CB-CZ2 3.72Å; R91-W135 HydrophobicContact CB-CZ3 4.12Å; R91-W135 HydrophobicContact CG-CZ2 4.44Å; R91-V162 PolarHBondContact N-O 3.19Å; R91-V162 PolarHBondContact O-N 3.36Å
92L97.6Very high90.3Very high0 Ų061.1 Ų61.10%033%0.333CS..EExtended strand (participates in β ladder)trans-102.9134.6169.2-79.168.4000108.4M41 Y104 L105 T108 A114 D115 L116 A117 L159 L161M41-L92 HydrophobicContact SD-CD1 4.16Å; L92-Y104 HydrophobicContact CD2-CE1 3.67Å; L92-L105 HydrophobicContact CD2-CD2 4.22Å; L92-T108 HydrophobicContact CD1-CG2 4.43Å; L92-T108 HydrophobicContact CD2-CG2 4.25Å; L92-A114 HydrophobicContact CD1-CB 3.49Å; L92-A114 VanDerWaalsContact CD1-CB 3.49Å; L92-D115 PolarHBondContact N-O 2.99Å; L92-L116 HydrophobicContact CB-CD1 3.83Å; L92-L116 CarbonylContact O-C 3.54Å; L92-L116 WeakPolarHBondContact O-CA 3.27Å; L92-A117 PolarHBondContact O-N 3.11Å; L92-L159 HydrophobicContact CB-CD1 4.05Å; L92-L159 HydrophobicContact CD2-CD1 4.19Å; L92-L159 HydrophobicContact CG-CD1 4.21Å; L92-L161 HydrophobicContact CG-CG 4.34Å
93Y98.3Very high91.9Very high0 Ų063 Ų630%032%0.322CS..EExtended strand (participates in β ladder)trans-114.7110168.6-70.5-92000108.4R91 A117 V119 E131 I132 W135 L159 V160 V162R91-Y93 HydrophobicContact CB-CE2 4.03Å; R91-Y93 HydrophobicContact CG-CD2 4.48Å; R91-Y93 HydrophobicContact CG-CE2 4.02Å; Y93-A117 WeakPolarHBondContact CA-O 3.37Å; Y93-A117 HydrophobicContact CD1-CB 3.6Å; Y93-A117 HydrophobicContact CE1-CB 3.69Å; Y93-A117 HydrophobicContact CG-CB 4.33Å; Y93-V119 HydrophobicContact CD1-CG1 3.73Å; Y93-V119 HydrophobicContact CE1-CG1 4.45Å; Y93-E131 HydrophobicContact CE1-CG 4.47Å; Y93-I132 HydrophobicContact CD1-CD1 4.37Å; Y93-I132 HydrophobicContact CD1-CG1 3.65Å; Y93-I132 HydrophobicContact CD2-CD1 4.25Å; Y93-I132 HydrophobicContact CD2-CG1 3.68Å; Y93-I132 HydrophobicContact CD2-CG2 4.46Å; Y93-I132 HydrophobicContact CE1-CG1 3.84Å; Y93-I132 HydrophobicContact CE2-CB 4.39Å; Y93-I132 HydrophobicContact CE2-CG1 3.86Å; Y93-I132 HydrophobicContact CE2-CG2 4.24Å; Y93-I132 HydrophobicContact CG-CD1 3.97Å; Y93-I132 HydrophobicContact CG-CG1 3.55Å; Y93-W135 HydrophobicContact CE2-CE3 4.45Å; Y93-W135 WeakPolarHBondContact OH-CB 3.45Å; Y93-L159 CarbonylContact O-C 2.96Å; Y93-L159 WeakPolarHBondContact O-CA 3.35Å; Y93-V160 PolarHBondContact N-O 3.45Å; Y93-V160 PolarHBondContact O-N 2.91Å; Y93-V162 HydrophobicContact CD2-CG2 3.9Å; Y93-V162 HydrophobicContact CE2-CG2 4.05Å
94G98.3Very high93.1Very high1 Ų161.5 Ų61.51%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-111.6143.7-176.200000112K96 A117 P118 V119 K158G94-K96 PolarHBondContact O-N 2.98Å; G94-A117 PolarHBondContact N-O 3.46Å; G94-P118 CarbonylContact O-C 3.55Å; G94-P118 WeakPolarHBondContact O-CA 3.29Å; G94-V119 PolarHBondContact O-N 3.49Å; G94-K158 CarbonylContact C-O 3.57Å; G94-K158 WeakPolarHBondContact CA-O 3.36Å
95E98.5Very high94.1Very high1 Ų160.5 Ų60.51%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-57.6121.1170.1168.946.3-129.800109.8T97 Y98 V119 F121 L122 K158E95-T97 WeakPolarHBondContact CG-OG1 3.13Å; E95-T97 PolarHBondContact O-N 3.3Å; E95-T97 VanDerWaalsContact O-N 3.11Å; E95-T97 WeakPolarHBondContact OE1-CB 3.43Å; E95-T97 WeakPolarHBondContact OE1-CG2 3.3Å; E95-T97 PolarHBondContact OE1-N 2.86Å; E95-T97 PolarHBondContact OE1-OG1 3.18Å; E95-Y98 WeakPolarHBondContact O-CB 3.44Å; E95-Y98 PolarHBondContact O-N 3.48Å; E95-V119 CarbonylContact C-O 3.6Å; E95-V119 WeakPolarHBondContact CA-O 3.31Å; E95-F121 HydrophobicContact CB-CD2 4.16Å; E95-F121 WeakPolarHBondContact OE2-CA 3.38Å; E95-F121 WeakPolarHBondContact OE2-CB 3.47Å; E95-F121 PolarHBondContact OE2-N 3.33Å; E95-L122 PolarHBondContact OE2-N 3.38Å; E95-K158 HydrophobicContact CB-CD 4.06Å; E95-K158 HydrophobicContact CG-CD 4.16Å; E95-K158 PolarHBondContact N-O 3.37Å
96K97.6Very high94.9Very high118 Ų11860.1 Ų60.151%0.51331%0.307SS..THydrogen-bonded Turntrans-59.5-25.7-173.467.1-179.3178.8-173.20113.9G94 P118 V119 D120G94-K96 PolarHBondContact O-N 2.98Å; K96-P118 HydrophobicContact CB-CB 4.09Å; K96-V119 PolarHBondContact N-O 2.78Å; K96-D120 HydrophobicContact CD-CB 4.09Å; K96-D120 VanDerWaalsContact CE-OD2 3.24Å; K96-D120 WeakPolarHBondContact CE-OD2 3.28Å; K96-D120 IonicContact NZ-OD2 3.13Å; K96-D120 PolarHBondContact NZ-OD2 2.89Å
97T97.3Very high95.5Very high82 Ų8259.9 Ų59.950%0.50331%0.31SS..THydrogen-bonded Turntrans-87.7-6.2177.260.10000113.6E95E95-T97 WeakPolarHBondContact CG-OG1 3.13Å; E95-T97 PolarHBondContact O-N 3.3Å; E95-T97 VanDerWaalsContact O-N 3.11Å; E95-T97 WeakPolarHBondContact OE1-CB 3.43Å; E95-T97 WeakPolarHBondContact OE1-CG2 3.3Å; E95-T97 PolarHBondContact OE1-N 2.86Å; E95-T97 PolarHBondContact OE1-OG1 3.18Å
98Y97.8Very high96.1Very high120 Ų12056.6 Ų56.647%0.47130%0.295SS..SBendtrans-93.8136.6-177.7-161.5-97000111.7E95 F100 K158E95-Y98 WeakPolarHBondContact O-CB 3.44Å; E95-Y98 PolarHBondContact O-N 3.48Å; Y98-F100 HydrophobicContact CD1-CD1 4.13Å; Y98-F100 HydrophobicContact CD1-CD2 4.47Å; Y98-F100 AromaticContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE2 4.13Å; Y98-F100 HydrophobicContact CD1-CG 4.47Å; Y98-F100 AromaticContact CD1-CZ 3.76Å; Y98-F100 HydrophobicContact CD1-CZ 3.76Å; Y98-F100 HydrophobicContact CE1-CD1 4.44Å; Y98-F100 HydrophobicContact CE1-CE1 4.22Å; Y98-F100 HydrophobicContact CG-CZ 4.47Å; Y98-K158 HydrophobicContact CD2-CB 4.49Å; Y98-K158 HydrophobicContact CD2-CD 3.74Å; Y98-K158 HydrophobicContact CD2-CG 4.07Å; Y98-K158 HydrophobicContact CE2-CD 4.3Å; Y98-K158 HydrophobicContact CE2-CG 4.2Å; Y98-K158 HydrophobicContact CG-CB 4.43Å; Y98-K158 HydrophobicContact CG-CD 4.19Å; Y98-K158 HydrophobicContact CG-CG 4.48Å
99N97.6Very high96.5Very high152 Ų15260.7 Ų60.781%0.81331%0.314SS*.PPolyproline II helixtrans-91.3118179.2-67.5-53.1000110.6
100F97.6Very high96.9Very high40 Ų4066.6 Ų66.618%0.17534%0.337CS..PPolyproline II helixtrans-97.3148.4173.4-61.4-81.6000110.9Y98 P102 L105 L116 K158 L159Y98-F100 HydrophobicContact CD1-CD1 4.13Å; Y98-F100 HydrophobicContact CD1-CD2 4.47Å; Y98-F100 AromaticContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE1 3.76Å; Y98-F100 HydrophobicContact CD1-CE2 4.13Å; Y98-F100 HydrophobicContact CD1-CG 4.47Å; Y98-F100 AromaticContact CD1-CZ 3.76Å; Y98-F100 HydrophobicContact CD1-CZ 3.76Å; Y98-F100 HydrophobicContact CE1-CD1 4.44Å; Y98-F100 HydrophobicContact CE1-CE1 4.22Å; Y98-F100 HydrophobicContact CG-CZ 4.47Å; F100-P102 WeakPolarHBondContact O-CD 3.27Å; F100-L105 HydrophobicContact CB-CD1 3.94Å; F100-L105 HydrophobicContact CB-CD2 3.99Å; F100-L105 HydrophobicContact CB-CG 3.97Å; F100-L105 HydrophobicContact CG-CD2 4.34Å; F100-L116 HydrophobicContact CD2-CD2 3.98Å; F100-L116 HydrophobicContact CE2-CD1 4.46Å; F100-L116 HydrophobicContact CE2-CD2 4.36Å; F100-K158 WeakPolarHBondContact CZ-O 3.3Å; F100-L159 HydrophobicContact CE1-CB 4.07Å; F100-L159 HydrophobicContact CE1-CD1 4.05Å; F100-L159 HydrophobicContact CE1-CD2 4.14Å; F100-L159 HydrophobicContact CE1-CG 4.32Å; F100-L159 HydrophobicContact CZ-CB 4.34Å; F100-L159 HydrophobicContact CZ-CD1 4.17Å
101L97.9Very high96.9Very high125 Ų12567.6 Ų67.665%0.65434%0.342SS*.PPolyproline II helixtrans-63.8125.6173.8-68.3175.5000109.9E103 Y104 L105L101-E103 PolarHBondContact O-N 3.05Å; L101-Y104 WeakPolarHBondContact O-CB 3.41Å; L101-Y104 PolarHBondContact O-N 2.88Å; L101-Y104 VanDerWaalsContact O-N 3.07Å; L101-L105 PolarHBondContact O-N 2.82Å
102P97.4Very high96.8Very high101 Ų10164.6 Ų64.666%0.65633%0.33SS*.Hα-helixtrans-57.2-36.2-179.6-27.835.7000113.2F100 Y104 L105 A106F100-P102 WeakPolarHBondContact O-CD 3.27Å; P102-Y104 VanDerWaalsContact C-N 3.32Å; P102-Y104 PolarHBondContact O-N 2.9Å; P102-L105 PolarHBondContact O-N 3.18Å; P102-A106 WeakPolarHBondContact O-CB 3.39Å; P102-A106 PolarHBondContact O-N 2.7Å
103E97.2Very high96.5Very high155 Ų15567.1 Ų67.172%0.72436%0.356SS*.Hα-helixtrans-63.5-36.5178.6-66.9161-171.900112.5L101 S107L101-E103 PolarHBondContact O-N 3.05Å; E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 3.41Å; E103-S107 PolarHBondContact O-OG 3.09Å
104Y97.2Very high96.3Very high30 Ų3067.1 Ų67.112%0.11836%0.357CS..Hα-helixtrans-67.9-46.3176.3170.1-105.7000111.2M41 L44 L92 L101 P102 S107 T108 L159M41-Y104 WeakPolarHBondContact O-CE2 3.33Å; M41-Y104 PolarHBondContact O-OH 3.17Å; L44-Y104 HydrophobicContact CB-CD2 4.07Å; L44-Y104 HydrophobicContact CB-CE2 3.94Å; L92-Y104 HydrophobicContact CD2-CE1 3.67Å; L101-Y104 WeakPolarHBondContact O-CB 3.41Å; L101-Y104 PolarHBondContact O-N 2.88Å; L101-Y104 VanDerWaalsContact O-N 3.07Å; P102-Y104 VanDerWaalsContact C-N 3.32Å; P102-Y104 PolarHBondContact O-N 2.9Å; Y104-S107 PolarHBondContact O-N 3.49Å; Y104-T108 HydrophobicContact CD2-CG2 4.25Å; Y104-T108 HydrophobicContact CE1-CG2 4.31Å; Y104-T108 HydrophobicContact CE2-CG2 3.72Å; Y104-T108 PolarHBondContact O-N 2.95Å; Y104-T108 PolarHBondContact O-OG1 3.5Å; Y104-L159 HydrophobicContact CE1-CD2 4.21Å
105L97.3Very high96.1Very high44 Ų4471.2 Ų71.223%0.2338%0.378CS..Hα-helixtrans-63.3-42.9177-60.6-175.6000111.6L92 F100 L101 P102 S107 T108 Q109 L116L92-L105 HydrophobicContact CD2-CD2 4.22Å; F100-L105 HydrophobicContact CB-CD1 3.94Å; F100-L105 HydrophobicContact CB-CD2 3.99Å; F100-L105 HydrophobicContact CB-CG 3.97Å; F100-L105 HydrophobicContact CG-CD2 4.34Å; L101-L105 PolarHBondContact O-N 2.82Å; P102-L105 PolarHBondContact O-N 3.18Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.21Å; L105-T108 WeakPolarHBondContact CA-OG1 3.14Å; L105-T108 PolarHBondContact O-N 2.84Å; L105-T108 PolarHBondContact O-OG1 3.34Å; L105-Q109 WeakPolarHBondContact O-CB 3.36Å; L105-Q109 PolarHBondContact O-N 3.43Å; L105-L116 HydrophobicContact CD1-CD2 3.75Å; L105-L116 HydrophobicContact CD2-CB 4.24Å; L105-L116 HydrophobicContact CD2-CD1 4.43Å; L105-L116 HydrophobicContact CD2-CD2 4.02Å; L105-L116 HydrophobicContact CD2-CG 4.47Å
106A97Very high96Very high54 Ų5473.8 Ų73.845%0.44639%0.392SS..Hα-helixtrans-62.6-39.2176.300000112.1P102 K110P102-A106 WeakPolarHBondContact O-CB 3.39Å; P102-A106 PolarHBondContact O-N 2.7Å; A106-K110 WeakPolarHBondContact O-CB 3.49Å; A106-K110 PolarHBondContact O-N 3.46Å
107S96.1Very high96Very high45 Ų4568.4 Ų68.432%0.31537%0.369SS..Hα-helixtrans-70-42.8179.5-60.80000112.4E103 Y104 L105 K110 M111E103-S107 WeakPolarHBondContact O-CB 3.47Å; E103-S107 PolarHBondContact O-N 3.41Å; E103-S107 PolarHBondContact O-OG 3.09Å; Y104-S107 PolarHBondContact O-N 3.49Å; L105-S107 VanDerWaalsContact C-N 3.32Å; L105-S107 PolarHBondContact O-N 3.21Å; S107-K110 PolarHBondContact O-N 3.32Å; S107-M111 WeakPolarHBondContact O-CB 3.2Å; S107-M111 WeakPolarHBondContact O-CG 3.37Å; S107-M111 PolarHBondContact O-N 3.4Å
108T95.9Very high96Very high1 Ų168.9 Ų68.91%0.00637%0.374CS..Hα-helixtrans-65.2-43.2177.246.50000111.6M41 L44 L92 Y104 L105 Y112 G113 A114M41-T108 HydrophobicContact CB-CG2 4.46Å; L44-T108 HydrophobicContact CD1-CG2 3.73Å; L92-T108 HydrophobicContact CD1-CG2 4.43Å; L92-T108 HydrophobicContact CD2-CG2 4.25Å; Y104-T108 HydrophobicContact CD2-CG2 4.25Å; Y104-T108 HydrophobicContact CE1-CG2 4.31Å; Y104-T108 HydrophobicContact CE2-CG2 3.72Å; Y104-T108 PolarHBondContact O-N 2.95Å; Y104-T108 PolarHBondContact O-OG1 3.5Å; L105-T108 WeakPolarHBondContact CA-OG1 3.14Å; L105-T108 PolarHBondContact O-N 2.84Å; L105-T108 PolarHBondContact O-OG1 3.34Å; T108-Y112 WeakPolarHBondContact O-CA 3.28Å; T108-Y112 WeakPolarHBondContact O-CB 3.27Å; T108-Y112 PolarHBondContact O-N 2.8Å; T108-G113 PolarHBondContact O-N 3.23Å; T108-A114 PolarHBondContact O-N 2.88Å
109Q95Very high96.1Very high108 Ų10863.5 Ų63.551%0.50535%0.353SS..Hα-helixtrans-59.3-54.1172.2-173-158.132.500111.4L105 M111 G113 A114 D115L105-Q109 WeakPolarHBondContact O-CB 3.36Å; L105-Q109 PolarHBondContact O-N 3.43Å; Q109-M111 PolarHBondContact O-N 2.98Å; Q109-G113 WeakPolarHBondContact O-CA 3.36Å; Q109-G113 PolarHBondContact O-N 3.46Å; Q109-A114 PolarHBondContact N-O 3.38Å; Q109-D115 WeakPolarHBondContact CG-OD1 3.28Å; Q109-D115 PolarHBondContact NE2-OD1 3.35Å
110K94.2Very high96.1Very high138 Ų13857.9 Ų57.960%0.632%0.323SS*.Hα-helixtrans-62.1-45.6-173.9-179.7-179.7176.6-177.40112.6Q71 A106 S107Q71-K110 PolarHBondContact NE2-O 3.07Å; A106-K110 WeakPolarHBondContact O-CB 3.49Å; A106-K110 PolarHBondContact O-N 3.46Å; S107-K110 PolarHBondContact O-N 3.32Å
111M93.5Very high96.1Very high33 Ų3356 Ų5616%0.16332%0.315CS..Hα-helixtrans-89.8-28-170.7-58.2-58.7-169.100112.9H67 Q71 S107 Q109H67-M111 HydrophobicContact CB-CB 4.26Å; H67-M111 HydrophobicContact CB-CG 4.02Å; Q71-M111 VanDerWaalsContact CA-O 3.25Å; Q71-M111 WeakPolarHBondContact CA-O 3.23Å; Q71-M111 WeakPolarHBondContact CB-O 3.37Å; Q71-M111 HydrophobicContact CB-SD 4.3Å; S107-M111 WeakPolarHBondContact O-CB 3.2Å; S107-M111 WeakPolarHBondContact O-CG 3.37Å; S107-M111 PolarHBondContact O-N 3.4Å; Q109-M111 PolarHBondContact O-N 2.98Å
112Y93.3Very high96.2Very high8 Ų853 Ų533%0.03130%0.3CS..Hα-helixtrans-121.1-4.8-173-61.8-91.2000114.1A40 M41 L44 H67 F70 N90 T108 A114A40-Y112 HydrophobicContact CB-CE1 4.06Å; A40-Y112 WeakPolarHBondContact CB-OH 3.33Å; M41-Y112 HydrophobicContact CG-CD1 3.62Å; M41-Y112 HydrophobicContact CG-CD2 3.61Å; M41-Y112 HydrophobicContact CG-CE1 4.01Å; M41-Y112 HydrophobicContact CG-CE2 4.01Å; M41-Y112 HydrophobicContact CG-CG 3.42Å; M41-Y112 VanDerWaalsContact CG-CG 3.42Å; M41-Y112 HydrophobicContact SD-CD1 4.25Å; M41-Y112 HydrophobicContact SD-CD2 4.46Å; M41-Y112 HydrophobicContact SD-CG 3.9Å; L44-Y112 HydrophobicContact CD1-CD2 4.03Å; L44-Y112 HydrophobicContact CD1-CE2 3.66Å; L44-Y112 HydrophobicContact CG-CE2 4.44Å; H67-Y112 HydrophobicContact CB-CE2 4.47Å; H67-Y112 AromaticContact ND1-CE2 3.82Å; H67-Y112 AromaticContact ND1-CZ 3.75Å; H67-Y112 PolarHBondContact ND1-OH 3.42Å; F70-Y112 HydrophobicContact CB-CE1 3.66Å; F70-Y112 HydrophobicContact CD1-CE1 4.17Å; F70-Y112 HydrophobicContact CD2-CE1 4.42Å; F70-Y112 AromaticContact CG-CE1 3.85Å; F70-Y112 HydrophobicContact CG-CE1 3.85Å; N90-Y112 PolarHBondContact ND2-O 2.87Å; T108-Y112 WeakPolarHBondContact O-CA 3.28Å; T108-Y112 WeakPolarHBondContact O-CB 3.27Å; T108-Y112 PolarHBondContact O-N 2.8Å; Y112-A114 PolarHBondContact O-N 3.13Å
113G92.4Very high96.2Very high53 Ų5355.2 Ų55.255%0.54630%0.301SS..  trans63.723.9-172.900000112.5T108 Q109T108-G113 PolarHBondContact O-N 3.23Å; Q109-G113 WeakPolarHBondContact O-CA 3.36Å; Q109-G113 PolarHBondContact O-N 3.46Å
114A94.3Very high96.2Very high1 Ų149.2 Ų49.21%0.00828%0.278CS..  trans-98.797.9-171.200000110.6M41 N90 L92 T108 Q109 Y112M41-A114 HydrophobicContact SD-CB 3.64Å; N90-A114 HydrophobicContact CB-CB 3.59Å; L92-A114 HydrophobicContact CD1-CB 3.49Å; L92-A114 VanDerWaalsContact CD1-CB 3.49Å; T108-A114 PolarHBondContact O-N 2.88Å; Q109-A114 PolarHBondContact N-O 3.38Å; Y112-A114 PolarHBondContact O-N 3.13Å
115D92.3Very high96.3Very high86 Ų8649.1 Ų49.146%0.4628%0.282SS..EExtended strand (participates in β ladder)trans-77.1151.8174.5-66.4-42.2000111.6R91 L92 Q109R91-D115 VanDerWaalsContact CG-O 3.3Å; R91-D115 WeakPolarHBondContact CG-O 3.24Å; L92-D115 PolarHBondContact N-O 2.99Å; Q109-D115 WeakPolarHBondContact CG-OD1 3.28Å; Q109-D115 PolarHBondContact NE2-OD1 3.35Å
116L96.8Very high96.3Very high56 Ų5650 Ų5029%0.29329%0.285SS..EExtended strand (participates in β ladder)trans-81.7122171.1-177.268.3000110.6L92 F100 L105 L159L92-L116 HydrophobicContact CB-CD1 3.83Å; L92-L116 CarbonylContact O-C 3.54Å; L92-L116 WeakPolarHBondContact O-CA 3.27Å; F100-L116 HydrophobicContact CD2-CD2 3.98Å; F100-L116 HydrophobicContact CE2-CD1 4.46Å; F100-L116 HydrophobicContact CE2-CD2 4.36Å; L105-L116 HydrophobicContact CD1-CD2 3.75Å; L105-L116 HydrophobicContact CD2-CB 4.24Å; L105-L116 HydrophobicContact CD2-CD1 4.43Å; L105-L116 HydrophobicContact CD2-CD2 4.02Å; L105-L116 HydrophobicContact CD2-CG 4.47Å; L116-L159 HydrophobicContact CD1-CD1 4.45Å
117A97.9Very high96.4Very high5 Ų552.1 Ų52.14%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-96.7115.5163.300000109.3L92 Y93 G94L92-A117 PolarHBondContact O-N 3.11Å; Y93-A117 WeakPolarHBondContact CA-O 3.37Å; Y93-A117 HydrophobicContact CD1-CB 3.6Å; Y93-A117 HydrophobicContact CE1-CB 3.69Å; Y93-A117 HydrophobicContact CG-CB 4.33Å; G94-A117 PolarHBondContact N-O 3.46Å
118P97.9Very high96.5Very high92 Ų9250.1 Ų50.160%0.59728%0.275SS*.EExtended strand (participates in β ladder)trans-74127.4172.829.8-31.9000110.1G94 K96G94-P118 CarbonylContact O-C 3.55Å; G94-P118 WeakPolarHBondContact O-CA 3.29Å; K96-P118 HydrophobicContact CB-CB 4.09Å
119V98.4Very high96.6Very high6 Ų650.9 Ų50.94%0.03628%0.278CS..EExtended strand (participates in β ladder)trans-129.8162.5177.6-67.50000110.8Y93 G94 E95 K96 F121 A128Y93-V119 HydrophobicContact CD1-CG1 3.73Å; Y93-V119 HydrophobicContact CE1-CG1 4.45Å; G94-V119 PolarHBondContact O-N 3.49Å; E95-V119 CarbonylContact C-O 3.6Å; E95-V119 WeakPolarHBondContact CA-O 3.31Å; K96-V119 PolarHBondContact N-O 2.78Å; V119-F121 HydrophobicContact CG2-CD1 4.44Å; V119-F121 HydrophobicContact CG2-CD2 3.66Å; V119-F121 HydrophobicContact CG2-CE1 4.15Å; V119-F121 HydrophobicContact CG2-CE2 3.31Å; V119-F121 HydrophobicContact CG2-CG 4.21Å; V119-F121 HydrophobicContact CG2-CZ 3.58Å; V119-A128 HydrophobicContact CB-CB 3.87Å; V119-A128 HydrophobicContact CG1-CB 4.47Å; V119-A128 HydrophobicContact CG2-CB 4.06Å
120D98.4Very high96.8Very high34 Ų3450.9 Ų50.918%0.18228%0.276CS..  trans-100.677.1179.2-168.5-7.3000110.4K96 L122 H123 A124 S125K96-D120 HydrophobicContact CD-CB 4.09Å; K96-D120 VanDerWaalsContact CE-OD2 3.24Å; K96-D120 WeakPolarHBondContact CE-OD2 3.28Å; K96-D120 IonicContact NZ-OD2 3.13Å; K96-D120 PolarHBondContact NZ-OD2 2.89Å; D120-L122 VanDerWaalsContact C-N 3.34Å; D120-H123 WeakPolarHBondContact OD1-CB 3.37Å; D120-H123 IonicContact OD1-CD2 2.64Å; D120-H123 IonicContact OD1-CG 3.63Å; D120-H123 PolarHBondContact OD1-N 3.3Å; D120-A124 HydrophobicContact CB-CB 4.19Å; D120-A124 CarbonylContact O-C 3.57Å; D120-A124 VanDerWaalsContact O-CA 3.23Å; D120-A124 WeakPolarHBondContact O-CA 3.37Å; D120-A124 PolarHBondContact O-N 3.12Å; D120-S125 PolarHBondContact O-N 3.25Å
121F98.6Very high97Very high0 Ų048.4 Ų48.40%027%0.266CS..Hα-helixtrans-65.9-42.1172-71.9-58.9000110.5E95 V119 H123 S125 A128 I132 V153 S155 T157 V160E95-F121 HydrophobicContact CB-CD2 4.16Å; E95-F121 WeakPolarHBondContact OE2-CA 3.38Å; E95-F121 WeakPolarHBondContact OE2-CB 3.47Å; E95-F121 PolarHBondContact OE2-N 3.33Å; V119-F121 HydrophobicContact CG2-CD1 4.44Å; V119-F121 HydrophobicContact CG2-CD2 3.66Å; V119-F121 HydrophobicContact CG2-CE1 4.15Å; V119-F121 HydrophobicContact CG2-CE2 3.31Å; V119-F121 HydrophobicContact CG2-CG 4.21Å; V119-F121 HydrophobicContact CG2-CZ 3.58Å; F121-H123 VanDerWaalsContact C-N 3.34Å; F121-H123 PolarHBondContact O-N 3.32Å; F121-S125 WeakPolarHBondContact O-CB 3.43Å; F121-S125 PolarHBondContact O-N 3.01Å; F121-A128 HydrophobicContact CD1-CB 3.64Å; F121-A128 HydrophobicContact CE1-CB 3.62Å; F121-A128 HydrophobicContact CG-CB 4.45Å; F121-A128 HydrophobicContact CZ-CB 4.42Å; F121-I132 HydrophobicContact CE1-CD1 4.14Å; F121-I132 HydrophobicContact CZ-CD1 3.92Å; F121-V153 HydrophobicContact CD1-CB 4.34Å; F121-V153 HydrophobicContact CD1-CG2 4.49Å; F121-V153 HydrophobicContact CE1-CB 4.08Å; F121-V153 HydrophobicContact CE1-CG1 4.23Å; F121-V153 HydrophobicContact CE1-CG2 4.2Å; F121-S155 WeakPolarHBondContact O-CA 3.3Å; F121-T157 VanDerWaalsContact CB-O 3.31Å; F121-T157 WeakPolarHBondContact CB-O 3.33Å; F121-T157 HydrophobicContact CD1-CG2 3.99Å; F121-T157 HydrophobicContact CD2-CG2 3.85Å; F121-T157 WeakPolarHBondContact CD2-O 3.48Å; F121-T157 HydrophobicContact CE1-CG2 3.95Å; F121-T157 HydrophobicContact CE2-CG2 3.79Å; F121-T157 HydrophobicContact CG-CG2 3.95Å; F121-T157 HydrophobicContact CZ-CG2 3.85Å; F121-V160 HydrophobicContact CE1-CG2 4.34Å; F121-V160 HydrophobicContact CE2-CG2 4.25Å; F121-V160 HydrophobicContact CZ-CB 4.39Å; F121-V160 HydrophobicContact CZ-CG2 3.63Å
122L98.2Very high97.2Very high64 Ų6446.9 Ų46.934%0.33526%0.259SS..Hα-helixtrans-57.4-42.8-173-177.860.6000113.4E95 D120 S155E95-L122 PolarHBondContact OE2-N 3.38Å; D120-L122 VanDerWaalsContact C-N 3.34Å; L122-S155 WeakPolarHBondContact O-CB 3.44Å
123H98.2Very high97.4Very high146 Ų14647 Ų4768%0.67626%0.26SS*.Hα-helixtrans-114-16.8-176.5-56.2-61.4000114.1D120 F121D120-H123 WeakPolarHBondContact OD1-CB 3.37Å; D120-H123 IonicContact OD1-CD2 2.64Å; D120-H123 IonicContact OD1-CG 3.63Å; D120-H123 PolarHBondContact OD1-N 3.3Å; F121-H123 VanDerWaalsContact C-N 3.34Å; F121-H123 PolarHBondContact O-N 3.32Å
124A98.1Very high97.7Very high30 Ų3051.4 Ų51.425%0.24827%0.266CS..Hα-helixtrans-14345.5-174.400000113.1D120 E126 D127 A128D120-A124 HydrophobicContact CB-CB 4.19Å; D120-A124 CarbonylContact O-C 3.57Å; D120-A124 VanDerWaalsContact O-CA 3.23Å; D120-A124 WeakPolarHBondContact O-CA 3.37Å; D120-A124 PolarHBondContact O-N 3.12Å; A124-E126 PolarHBondContact O-N 2.88Å; A124-E126 VanDerWaalsContact O-N 3.14Å; A124-D127 HydrophobicContact CB-CB 4.33Å; A124-D127 PolarHBondContact O-N 3.02Å; A124-A128 PolarHBondContact O-N 3.09Å
125S98Very high97.8Very high28 Ų2853.4 Ų53.420%0.19627%0.274CS..Hα-helixtrans-53.5-36-176.762.90000114.4D120 F121 A128 R129D120-S125 PolarHBondContact O-N 3.25Å; F121-S125 WeakPolarHBondContact O-CB 3.43Å; F121-S125 PolarHBondContact O-N 3.01Å; S125-A128 PolarHBondContact O-N 3.09Å; S125-R129 WeakPolarHBondContact O-CB 3.38Å; S125-R129 PolarHBondContact O-N 3.32Å
126E98.4Very high98Very high63 Ų6349.4 Ų49.429%0.29425%0.252SS..Hα-helixtrans-69.5-33.4177-83.1-59.7130.200113.2A124 R129 K130A124-E126 PolarHBondContact O-N 2.88Å; A124-E126 VanDerWaalsContact O-N 3.14Å; E126-R129 PolarHBondContact O-N 3.28Å; E126-R129 IonicContact OE1-NE 2.76Å; E126-R129 PolarHBondContact OE1-NE 2.95Å; E126-R129 IonicContact OE2-CZ 3.29Å; E126-R129 IonicContact OE2-NE 2.95Å; E126-R129 PolarHBondContact OE2-NE 3.14Å; E126-R129 IonicContact OE2-NH2 3.36Å; E126-R129 PolarHBondContact OE2-NH2 2.91Å; E126-K130 VanDerWaalsContact O-CG 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.08Å; E126-K130 PolarHBondContact O-N 3.07Å
127D98.4Very high97.9Very high97 Ų9751.7 Ų51.752%0.51926%0.26SS..Hα-helixtrans-74.7-39.1175.4-68.4-24.2000110.5A124 R129 K130 E131A124-D127 HydrophobicContact CB-CB 4.33Å; A124-D127 PolarHBondContact O-N 3.02Å; D127-R129 VanDerWaalsContact C-N 3.32Å; D127-R129 PolarHBondContact O-N 3.34Å; D127-K130 PolarHBondContact O-N 3.37Å; D127-K130 IonicContact OD1-NZ 3.79Å; D127-K130 PolarHBondContact OD1-NZ 3.36Å; D127-E131 WeakPolarHBondContact O-CB 3.32Å; D127-E131 PolarHBondContact O-N 3.14Å
128A98.5Very high97.8Very high4 Ų453.7 Ų53.73%0.03328%0.281CS..Hα-helixtrans-58.1-43.417000000111.7V119 F121 A124 S125 K130 E131 I132V119-A128 HydrophobicContact CB-CB 3.87Å; V119-A128 HydrophobicContact CG1-CB 4.47Å; V119-A128 HydrophobicContact CG2-CB 4.06Å; F121-A128 HydrophobicContact CD1-CB 3.64Å; F121-A128 HydrophobicContact CE1-CB 3.62Å; F121-A128 HydrophobicContact CG-CB 4.45Å; F121-A128 HydrophobicContact CZ-CB 4.42Å; A124-A128 PolarHBondContact O-N 3.09Å; S125-A128 PolarHBondContact O-N 3.09Å; A128-K130 PolarHBondContact O-N 3.48Å; A128-E131 PolarHBondContact O-N 3.04Å; A128-I132 VanDerWaalsContact O-CG1 3.26Å; A128-I132 WeakPolarHBondContact O-CG1 3.4Å; A128-I132 PolarHBondContact O-N 3.35Å
129R98.6Very high97.5Very high17 Ų1752.2 Ų52.26%0.06427%0.266CS..Hα-helixtrans-59-46.9175.2-169.1-171.965.582.50.1111.9S125 E126 D127 I132 N133 E146 L148 S149 V153S125-R129 WeakPolarHBondContact O-CB 3.38Å; S125-R129 PolarHBondContact O-N 3.32Å; E126-R129 PolarHBondContact O-N 3.28Å; E126-R129 IonicContact OE1-NE 2.76Å; E126-R129 PolarHBondContact OE1-NE 2.95Å; E126-R129 IonicContact OE2-CZ 3.29Å; E126-R129 IonicContact OE2-NE 2.95Å; E126-R129 PolarHBondContact OE2-NE 3.14Å; E126-R129 IonicContact OE2-NH2 3.36Å; E126-R129 PolarHBondContact OE2-NH2 2.91Å; D127-R129 VanDerWaalsContact C-N 3.32Å; D127-R129 PolarHBondContact O-N 3.34Å; R129-I132 PolarHBondContact O-N 3.23Å; R129-N133 PolarHBondContact NH1-ND2 2.92Å; R129-N133 VanDerWaalsContact NH1-ND2 3.2Å; R129-N133 PolarHBondContact O-N 3.49Å; R129-N133 PolarHBondContact O-ND2 3.2Å; R129-E146 IonicContact CZ-OE1 2.55Å; R129-E146 IonicContact NH1-OE1 3.8Å; R129-E146 PolarHBondContact NH1-OE1 3.31Å; R129-L148 WeakPolarHBondContact CD-O 3.3Å; R129-L148 HydrophobicContact CG-CB 3.85Å; R129-L148 PolarHBondContact NH1-O 3.19Å; R129-S149 WeakPolarHBondContact CD-O 3.31Å; R129-V153 HydrophobicContact CB-CG2 3.61Å; R129-V153 HydrophobicContact CG-CG2 3.9Å
130K98.4Very high97.1Very high108 Ų10852 Ų5247%0.4726%0.264SS..Hα-helixtrans-64.3-40178.1-71.2169-163.4157.90111.8E126 D127 A128 N133 Q134E126-K130 VanDerWaalsContact O-CG 3.3Å; E126-K130 WeakPolarHBondContact O-CG 3.08Å; E126-K130 PolarHBondContact O-N 3.07Å; D127-K130 PolarHBondContact O-N 3.37Å; D127-K130 IonicContact OD1-NZ 3.79Å; D127-K130 PolarHBondContact OD1-NZ 3.36Å; A128-K130 PolarHBondContact O-N 3.48Å; K130-N133 PolarHBondContact O-N 2.97Å; K130-Q134 WeakPolarHBondContact O-CB 3.36Å; K130-Q134 PolarHBondContact O-N 3.14Å
131E98.4Very high96.8Very high86 Ų8655 Ų5540%0.40228%0.278SS..Hα-helixtrans-60.1-47.6176.2-173.9-178.8144.500111.1Y93 D127 A128 N133 Q134 W135Y93-E131 HydrophobicContact CE1-CG 4.47Å; D127-E131 WeakPolarHBondContact O-CB 3.32Å; D127-E131 PolarHBondContact O-N 3.14Å; A128-E131 PolarHBondContact O-N 3.04Å; E131-N133 PolarHBondContact O-N 3.36Å; E131-Q134 PolarHBondContact O-N 3.32Å; E131-W135 PolarHBondContact O-N 2.8Å
132I98.1Very high96.6Very high0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-58.2-49.7176.3-65.7164.7000110.4Y93 F121 A128 R129 Q134 W135 V136 L148 V160 V162Y93-I132 HydrophobicContact CD1-CD1 4.37Å; Y93-I132 HydrophobicContact CD1-CG1 3.65Å; Y93-I132 HydrophobicContact CD2-CD1 4.25Å; Y93-I132 HydrophobicContact CD2-CG1 3.68Å; Y93-I132 HydrophobicContact CD2-CG2 4.46Å; Y93-I132 HydrophobicContact CE1-CG1 3.84Å; Y93-I132 HydrophobicContact CE2-CB 4.39Å; Y93-I132 HydrophobicContact CE2-CG1 3.86Å; Y93-I132 HydrophobicContact CE2-CG2 4.24Å; Y93-I132 HydrophobicContact CG-CD1 3.97Å; Y93-I132 HydrophobicContact CG-CG1 3.55Å; F121-I132 HydrophobicContact CE1-CD1 4.14Å; F121-I132 HydrophobicContact CZ-CD1 3.92Å; A128-I132 VanDerWaalsContact O-CG1 3.26Å; A128-I132 WeakPolarHBondContact O-CG1 3.4Å; A128-I132 PolarHBondContact O-N 3.35Å; R129-I132 PolarHBondContact O-N 3.23Å; I132-Q134 VanDerWaalsContact C-N 3.35Å; I132-Q134 PolarHBondContact O-N 3.47Å; I132-W135 PolarHBondContact O-N 2.97Å; I132-V136 HydrophobicContact CG2-CG2 4.45Å; I132-V136 WeakPolarHBondContact O-CG2 3.29Å; I132-V136 PolarHBondContact O-N 3.3Å; I132-L148 HydrophobicContact CB-CD1 4.07Å; I132-L148 HydrophobicContact CD1-CD1 3.79Å; I132-L148 HydrophobicContact CG2-CD1 3.66Å; I132-L148 HydrophobicContact CG2-CG 4.26Å; I132-V160 HydrophobicContact CD1-CB 4.35Å; I132-V160 HydrophobicContact CD1-CG1 4.44Å; I132-V160 HydrophobicContact CD1-CG2 4.4Å; I132-V162 HydrophobicContact CG2-CG2 3.88Å
133N98.1Very high96.3Very high10 Ų1060.8 Ų60.85%0.05331%0.31CS..Hα-helixtrans-61.3-41.3179.1-77.9-28.1000112.6R129 K130 E131 W135 V136 K137 L147 L148R129-N133 PolarHBondContact NH1-ND2 2.92Å; R129-N133 VanDerWaalsContact NH1-ND2 3.2Å; R129-N133 PolarHBondContact O-N 3.49Å; R129-N133 PolarHBondContact O-ND2 3.2Å; K130-N133 PolarHBondContact O-N 2.97Å; E131-N133 PolarHBondContact O-N 3.36Å; N133-W135 VanDerWaalsContact C-N 3.34Å; N133-W135 PolarHBondContact O-N 3.07Å; N133-V136 PolarHBondContact O-N 2.74Å; N133-K137 VanDerWaalsContact O-CB 3.24Å; N133-K137 WeakPolarHBondContact O-CB 3.33Å; N133-K137 PolarHBondContact O-N 3.19Å; N133-L147 WeakPolarHBondContact OD1-CA 3.47Å; N133-L147 PolarHBondContact OD1-N 2.79Å; N133-L148 PolarHBondContact ND2-O 3.18Å; N133-L148 PolarHBondContact OD1-N 3.12Å
134Q98Very high96.1Very high146 Ų14656.9 Ų56.968%0.68229%0.293SS*.Hα-helixtrans-63.8-40.8177.9-175.2175.2-1.900111.5K130 E131 I132 G138K130-Q134 WeakPolarHBondContact O-CB 3.36Å; K130-Q134 PolarHBondContact O-N 3.14Å; E131-Q134 PolarHBondContact O-N 3.32Å; I132-Q134 VanDerWaalsContact C-N 3.35Å; I132-Q134 PolarHBondContact O-N 3.47Å; Q134-G138 PolarHBondContact O-N 2.94Å
135W97Very high95.9Very high44 Ų4459.2 Ų59.217%0.16731%0.306CS..Hα-helixtrans-64.3-47.4175.2-179.586.6000111.7A89 R91 Y93 E131 I132 N133 K137 G138 Q139 V162 A164A89-W135 HydrophobicContact CB-CH2 3.66Å; A89-W135 HydrophobicContact CB-CZ2 3.82Å; R91-W135 HydrophobicContact CB-CH2 3.66Å; R91-W135 HydrophobicContact CB-CZ2 3.72Å; R91-W135 HydrophobicContact CB-CZ3 4.12Å; R91-W135 HydrophobicContact CG-CZ2 4.44Å; Y93-W135 HydrophobicContact CE2-CE3 4.45Å; Y93-W135 WeakPolarHBondContact OH-CB 3.45Å; E131-W135 PolarHBondContact O-N 2.8Å; I132-W135 PolarHBondContact O-N 2.97Å; N133-W135 VanDerWaalsContact C-N 3.34Å; N133-W135 PolarHBondContact O-N 3.07Å; W135-K137 VanDerWaalsContact C-N 3.33Å; W135-K137 PolarHBondContact O-N 3.41Å; W135-G138 WeakPolarHBondContact O-CA 3.45Å; W135-G138 PolarHBondContact O-N 3.33Å; W135-G138 VanDerWaalsContact O-N 3.09Å; W135-Q139 HydrophobicContact CD2-CG 3.94Å; W135-Q139 HydrophobicContact CE3-CG 4.14Å; W135-Q139 HydrophobicContact CH2-CG 3.91Å; W135-Q139 HydrophobicContact CZ2-CG 3.7Å; W135-Q139 HydrophobicContact CZ3-CG 4.12Å; W135-Q139 WeakPolarHBondContact O-CG 3.45Å; W135-Q139 PolarHBondContact O-N 2.92Å; W135-V162 HydrophobicContact CE3-CG1 4.31Å; W135-V162 HydrophobicContact CZ3-CB 4.22Å; W135-V162 HydrophobicContact CZ3-CG1 3.77Å; W135-A164 HydrophobicContact CZ3-CB 4.26Å
136V95.4Very high95.8Very high1 Ų163 Ų631%0.00632%0.32CS..Hα-helixtrans-60.3-43.6177.7174.60000111.2I132 N133 G138 Q139 T140 I144 L147 V162 A164I132-V136 HydrophobicContact CG2-CG2 4.45Å; I132-V136 WeakPolarHBondContact O-CG2 3.29Å; I132-V136 PolarHBondContact O-N 3.3Å; N133-V136 PolarHBondContact O-N 2.74Å; V136-G138 VanDerWaalsContact C-N 3.26Å; V136-G138 PolarHBondContact O-N 2.87Å; V136-Q139 PolarHBondContact O-N 3.41Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; V136-T140 HydrophobicContact CG1-CG2 4.22Å; V136-T140 WeakPolarHBondContact O-CB 3.1Å; V136-T140 WeakPolarHBondContact O-CG2 3.38Å; V136-T140 PolarHBondContact O-N 2.99Å; V136-T140 PolarHBondContact O-OG1 2.7Å; V136-I144 HydrophobicContact CG1-CB 4Å; V136-I144 HydrophobicContact CG1-CG2 3.85Å; V136-L147 HydrophobicContact CB-CB 4.42Å; V136-L147 HydrophobicContact CG1-CB 4.11Å; V136-L147 HydrophobicContact CG1-CD2 4.32Å; V136-L147 HydrophobicContact CG2-CB 4.31Å; V136-L147 HydrophobicContact CG2-CD2 3.71Å; V136-V162 HydrophobicContact CG2-CG1 3.58Å; V136-A164 HydrophobicContact CG1-CB 4.41Å
137K95.9Very high95.7Very high105 Ų10563.5 Ų63.546%0.45733%0.325SS..Hα-helixtrans-56.2-42.6174.9-175.5-178.7178.8177.80111.3N133 W135 T140 E141 G142 I144 P145N133-K137 VanDerWaalsContact O-CB 3.24Å; N133-K137 WeakPolarHBondContact O-CB 3.33Å; N133-K137 PolarHBondContact O-N 3.19Å; W135-K137 VanDerWaalsContact C-N 3.33Å; W135-K137 PolarHBondContact O-N 3.41Å; K137-T140 PolarHBondContact O-N 3.44Å; K137-T140 PolarHBondContact O-OG1 2.9Å; K137-E141 PolarHBondContact O-N 3.22Å; K137-G142 WeakPolarHBondContact O-CA 3.35Å; K137-G142 PolarHBondContact O-N 3.31Å; K137-I144 VanDerWaalsContact CA-O 3.31Å; K137-I144 WeakPolarHBondContact CA-O 3.43Å; K137-I144 PolarHBondContact N-O 3.45Å; K137-P145 HydrophobicContact CD-CB 4.42Å
138G94.4Very high95.6Very high47 Ų4759.8 Ų59.849%0.48531%0.305SS..Hα-helixtrans-64.8-43.1175.300000113.4Q134 W135 V136 T140Q134-G138 PolarHBondContact O-N 2.94Å; W135-G138 WeakPolarHBondContact O-CA 3.45Å; W135-G138 PolarHBondContact O-N 3.33Å; W135-G138 VanDerWaalsContact O-N 3.09Å; V136-G138 VanDerWaalsContact C-N 3.26Å; V136-G138 PolarHBondContact O-N 2.87Å; G138-T140 PolarHBondContact O-N 3.41Å
139Q91.5Very high95.5Very high60 Ų6062.9 Ų62.928%0.2833%0.326SS..Hα-helixtrans-68.9-23.7179.6-62.8-52.7-35.800113.4K87 A89 W135 V136 A164K87-Q139 WeakPolarHBondContact CD-O 3.44Å; A89-Q139 HydrophobicContact CB-CB 4.22Å; A89-Q139 HydrophobicContact CB-CG 3.74Å; W135-Q139 HydrophobicContact CD2-CG 3.94Å; W135-Q139 HydrophobicContact CE3-CG 4.14Å; W135-Q139 HydrophobicContact CH2-CG 3.91Å; W135-Q139 HydrophobicContact CZ2-CG 3.7Å; W135-Q139 HydrophobicContact CZ3-CG 4.12Å; W135-Q139 WeakPolarHBondContact O-CG 3.45Å; W135-Q139 PolarHBondContact O-N 2.92Å; V136-Q139 PolarHBondContact O-N 3.41Å; V136-Q139 VanDerWaalsContact O-N 3.15Å; Q139-A164 HydrophobicContact CB-CB 3.98Å
140T91.1Very high95.5Very high1 Ų167 Ų671%0.00635%0.353CS..THydrogen-bonded Turntrans-106.918.6-173.560.40000113.9V136 K137 G138 G142 K143 I144 A164V136-T140 HydrophobicContact CG1-CG2 4.22Å; V136-T140 WeakPolarHBondContact O-CB 3.1Å; V136-T140 WeakPolarHBondContact O-CG2 3.38Å; V136-T140 PolarHBondContact O-N 2.99Å; V136-T140 PolarHBondContact O-OG1 2.7Å; K137-T140 PolarHBondContact O-N 3.44Å; K137-T140 PolarHBondContact O-OG1 2.9Å; G138-T140 PolarHBondContact O-N 3.41Å; T140-G142 PolarHBondContact O-N 3.25Å; T140-G142 VanDerWaalsContact O-N 3.15Å; T140-K143 VanDerWaalsContact O-CB 3.3Å; T140-K143 WeakPolarHBondContact O-CB 3.34Å; T140-K143 WeakPolarHBondContact O-CG 3.46Å; T140-K143 PolarHBondContact O-N 3.21Å; T140-I144 HydrophobicContact CG2-CB 4.14Å; T140-I144 HydrophobicContact CG2-CD1 3.93Å; T140-I144 HydrophobicContact CG2-CG1 3.99Å; T140-I144 PolarHBondContact OG1-N 2.8Å; T140-I144 VanDerWaalsContact OG1-N 3.13Å; T140-A164 HydrophobicContact CG2-CB 4.12Å
141E91.9Very high95.3Very high98 Ų9864.8 Ų64.846%0.45836%0.36SS..THydrogen-bonded Turntrans53.535.5-177.9-59.5-60.3120.400112.7K87 K137 K143 Y166K87-E141 WeakPolarHBondContact CE-OE1 3.49Å; K87-E141 IonicContact NZ-OE1 3.83Å; K87-E141 PolarHBondContact NZ-OE1 3.29Å; K137-E141 PolarHBondContact O-N 3.22Å; E141-K143 VanDerWaalsContact C-N 3.25Å; E141-K143 PolarHBondContact O-N 3.13Å; E141-Y166 HydrophobicContact CB-CE1 4.14Å; E141-Y166 HydrophobicContact CB-CE2 4.12Å; E141-Y166 HydrophobicContact CG-CD1 3.85Å; E141-Y166 HydrophobicContact CG-CE1 3.46Å; E141-Y166 VanDerWaalsContact CG-CE1 3.46Å; E141-Y166 HydrophobicContact CG-CE2 4.33Å; E141-Y166 HydrophobicContact CG-CG 4.41Å
142G93.8Very high95.3Very high34 Ų3464.9 Ų64.935%0.35137%0.367SS..THydrogen-bonded Turntrans75.73.5-178.400000115.5K137 T140K137-G142 WeakPolarHBondContact O-CA 3.35Å; K137-G142 PolarHBondContact O-N 3.31Å; T140-G142 PolarHBondContact O-N 3.25Å; T140-G142 VanDerWaalsContact O-N 3.15Å
143K92.9Very high95.2Very high151 Ų15165.2 Ų65.266%0.65737%0.369SS*.SBendtrans-76.9-25.3-176.6-58.9-51.7179.2-174.30114T140 E141 P145 Y166T140-K143 VanDerWaalsContact O-CB 3.3Å; T140-K143 WeakPolarHBondContact O-CB 3.34Å; T140-K143 WeakPolarHBondContact O-CG 3.46Å; T140-K143 PolarHBondContact O-N 3.21Å; E141-K143 VanDerWaalsContact C-N 3.25Å; E141-K143 PolarHBondContact O-N 3.13Å; K143-P145 VanDerWaalsContact O-CD 3.31Å; K143-P145 WeakPolarHBondContact O-CD 3.4Å; K143-Y166 HydrophobicContact CG-CD2 4.27Å; K143-Y166 HydrophobicContact CG-CE2 3.79Å
144I93.1Very high95.2Very high65 Ų6568.4 Ų68.433%0.33339%0.386SS..  trans-114.584.3170.8-51.8-174.2000107.8V136 K137 T140 L147V136-I144 HydrophobicContact CG1-CB 4Å; V136-I144 HydrophobicContact CG1-CG2 3.85Å; K137-I144 VanDerWaalsContact CA-O 3.31Å; K137-I144 WeakPolarHBondContact CA-O 3.43Å; K137-I144 PolarHBondContact N-O 3.45Å; T140-I144 HydrophobicContact CG2-CB 4.14Å; T140-I144 HydrophobicContact CG2-CD1 3.93Å; T140-I144 HydrophobicContact CG2-CG1 3.99Å; T140-I144 PolarHBondContact OG1-N 2.8Å; T140-I144 VanDerWaalsContact OG1-N 3.13Å; I144-L147 HydrophobicContact CG2-CB 4.18Å; I144-L147 HydrophobicContact CG2-CD1 4.37Å
145P94.3Very high95.3Very high78 Ų7864.1 Ų64.151%0.50637%0.372SS..SBendtrans-75.2-28.8-175.129.8-35.5000113.4K137 K143K137-P145 HydrophobicContact CD-CB 4.42Å; K143-P145 VanDerWaalsContact O-CD 3.31Å; K143-P145 WeakPolarHBondContact O-CD 3.4Å
146E95.8Very high95.3Very high107 Ų10768.6 Ų68.650%0.540%0.396SS..  trans-140.7102.1179.7-176.2162.7-14100108.5R129R129-E146 IonicContact CZ-OE1 2.55Å; R129-E146 IonicContact NH1-OE1 3.8Å; R129-E146 PolarHBondContact NH1-OE1 3.31Å
147L95.4Very high95.4Very high74 Ų7469.6 Ų69.639%0.38740%0.403SS..SBendtrans-83.5-45.4175.6178.168000110.8N133 V136 I144 V162N133-L147 WeakPolarHBondContact OD1-CA 3.47Å; N133-L147 PolarHBondContact OD1-N 2.79Å; V136-L147 HydrophobicContact CB-CB 4.42Å; V136-L147 HydrophobicContact CG1-CB 4.11Å; V136-L147 HydrophobicContact CG1-CD2 4.32Å; V136-L147 HydrophobicContact CG2-CB 4.31Å; V136-L147 HydrophobicContact CG2-CD2 3.71Å; I144-L147 HydrophobicContact CG2-CB 4.18Å; I144-L147 HydrophobicContact CG2-CD1 4.37Å; L147-V162 HydrophobicContact CD2-CG1 3.8Å
148L97.1Very high95.6Very high20 Ų2067.8 Ų67.811%0.10540%0.395CS..SBendtrans-103.1106.8-179.5-56.7-178.2000109.4R129 I132 N133 V152 V153 V160R129-L148 WeakPolarHBondContact CD-O 3.3Å; R129-L148 HydrophobicContact CG-CB 3.85Å; R129-L148 PolarHBondContact NH1-O 3.19Å; I132-L148 HydrophobicContact CB-CD1 4.07Å; I132-L148 HydrophobicContact CD1-CD1 3.79Å; I132-L148 HydrophobicContact CG2-CD1 3.66Å; I132-L148 HydrophobicContact CG2-CG 4.26Å; N133-L148 PolarHBondContact ND2-O 3.18Å; N133-L148 PolarHBondContact OD1-N 3.12Å; L148-V152 HydrophobicContact CD2-CG1 3.9Å; L148-V153 HydrophobicContact CD1-CG1 4.05Å; L148-V160 HydrophobicContact CD1-CG1 4.4Å
149S97.1Very high95.7Very high69 Ų6968 Ų6848%0.48338%0.384SS..  trans-63.2159.4171-55.50000111.6R129 G151 V152R129-S149 WeakPolarHBondContact CD-O 3.31Å; S149-G151 PolarHBondContact O-N 3.05Å; S149-V152 WeakPolarHBondContact O-CB 3.32Å; S149-V152 VanDerWaalsContact O-CG2 3.28Å; S149-V152 WeakPolarHBondContact O-CG2 3.3Å; S149-V152 PolarHBondContact O-N 3.15Å
150V97.1Very high96Very high103 Ų10366.2 Ų66.262%0.62438%0.378SS*.THydrogen-bonded Turntrans-52.5135.1173.7177.60000110.3V152V150-V152 VanDerWaalsContact C-N 3.34Å; V150-V152 PolarHBondContact O-N 3.41Å
151G95.4Very high96.3Very high61 Ų6168.2 Ų68.263%0.62939%0.388SS*.THydrogen-bonded Turntrans83-2.9179.100000116.1S149 V153S149-G151 PolarHBondContact O-N 3.05Å; G151-V153 VanDerWaalsContact C-N 3.33Å
152V96.9Very high96.4Very high89 Ų8963.8 Ų63.854%0.53937%0.368SS..SBendtrans-71.4-29.3174.7173.60000112.2L148 S149 V150L148-V152 HydrophobicContact CD2-CG1 3.9Å; S149-V152 WeakPolarHBondContact O-CB 3.32Å; S149-V152 VanDerWaalsContact O-CG2 3.28Å; S149-V152 WeakPolarHBondContact O-CG2 3.3Å; S149-V152 PolarHBondContact O-N 3.15Å; V150-V152 VanDerWaalsContact C-N 3.34Å; V150-V152 PolarHBondContact O-N 3.41Å
153V98.1Very high96.3Very high6 Ų663 Ų634%0.03636%0.356CS..SBendtrans-122.9149.9174.2-610000109.9F121 R129 L148 G151 T157 V160F121-V153 HydrophobicContact CD1-CB 4.34Å; F121-V153 HydrophobicContact CD1-CG2 4.49Å; F121-V153 HydrophobicContact CE1-CB 4.08Å; F121-V153 HydrophobicContact CE1-CG1 4.23Å; F121-V153 HydrophobicContact CE1-CG2 4.2Å; R129-V153 HydrophobicContact CB-CG2 3.61Å; R129-V153 HydrophobicContact CG-CG2 3.9Å; L148-V153 HydrophobicContact CD1-CG1 4.05Å; G151-V153 VanDerWaalsContact C-N 3.33Å; V153-T157 HydrophobicContact CB-CG2 4.34Å; V153-T157 HydrophobicContact CG1-CG2 4.22Å; V153-V160 HydrophobicContact CG1-CG2 3.96Å
154D98.1Very high96Very high78 Ų7856 Ų5642%0.41733%0.326SS..  trans-146.3-175.5-173.465.713.7000111.5M156 T157D154-M156 PolarHBondContact O-N 3.49Å; D154-M156 WeakPolarHBondContact OD1-CA 3.4Å; D154-M156 WeakPolarHBondContact OD1-CB 3.27Å; D154-M156 PolarHBondContact OD1-N 2.9Å; D154-T157 PolarHBondContact N-OG1 2.99Å; D154-T157 VanDerWaalsContact O-CB 3.26Å; D154-T157 WeakPolarHBondContact O-CB 3.25Å; D154-T157 PolarHBondContact O-N 3.16Å; D154-T157 VanDerWaalsContact O-N 3.16Å; D154-T157 PolarHBondContact O-OG1 3.46Å; D154-T157 PolarHBondContact OD1-N 3.45Å; D154-T157 PolarHBondContact OD1-OG1 3.24Å
155S98.1Very high95.8Very high55 Ų5555 Ų5539%0.38532%0.321SS..THydrogen-bonded Turntrans-66.2-14.5178.860.20000114.6F121 L122F121-S155 WeakPolarHBondContact O-CA 3.3Å; L122-S155 WeakPolarHBondContact O-CB 3.44Å
156M98.2Very high95.5Very high138 Ų13853 Ų5368%0.6830%0.303SS*.THydrogen-bonded Turntrans-90.3-15.7177.9-64.7-59-63.300112.2D154 K158D154-M156 PolarHBondContact O-N 3.49Å; D154-M156 WeakPolarHBondContact OD1-CA 3.4Å; D154-M156 WeakPolarHBondContact OD1-CB 3.27Å; D154-M156 PolarHBondContact OD1-N 2.9Å; M156-K158 PolarHBondContact O-N 3.32Å
157T98.4Very high95Very high23 Ų2354.2 Ų54.214%0.14131%0.307CS..  trans-59.7128.2179.7-58.40000110.7F121 V153 D154 V160F121-T157 VanDerWaalsContact CB-O 3.31Å; F121-T157 WeakPolarHBondContact CB-O 3.33Å; F121-T157 HydrophobicContact CD1-CG2 3.99Å; F121-T157 HydrophobicContact CD2-CG2 3.85Å; F121-T157 WeakPolarHBondContact CD2-O 3.48Å; F121-T157 HydrophobicContact CE1-CG2 3.95Å; F121-T157 HydrophobicContact CE2-CG2 3.79Å; F121-T157 HydrophobicContact CG-CG2 3.95Å; F121-T157 HydrophobicContact CZ-CG2 3.85Å; V153-T157 HydrophobicContact CB-CG2 4.34Å; V153-T157 HydrophobicContact CG1-CG2 4.22Å; D154-T157 PolarHBondContact N-OG1 2.99Å; D154-T157 VanDerWaalsContact O-CB 3.26Å; D154-T157 WeakPolarHBondContact O-CB 3.25Å; D154-T157 PolarHBondContact O-N 3.16Å; D154-T157 VanDerWaalsContact O-N 3.16Å; D154-T157 PolarHBondContact O-OG1 3.46Å; D154-T157 PolarHBondContact OD1-N 3.45Å; D154-T157 PolarHBondContact OD1-OG1 3.24Å; T157-V160 HydrophobicContact CG2-CG2 3.74Å
158K98.1Very high94.5Very high66 Ų6656.9 Ų56.929%0.28732%0.316SS..  trans-109.7-35.5178.6-60.6-53.5174.5-161.40113.6G94 E95 Y98 F100 M156G94-K158 CarbonylContact C-O 3.57Å; G94-K158 WeakPolarHBondContact CA-O 3.36Å; E95-K158 HydrophobicContact CB-CD 4.06Å; E95-K158 HydrophobicContact CG-CD 4.16Å; E95-K158 PolarHBondContact N-O 3.37Å; Y98-K158 HydrophobicContact CD2-CB 4.49Å; Y98-K158 HydrophobicContact CD2-CD 3.74Å; Y98-K158 HydrophobicContact CD2-CG 4.07Å; Y98-K158 HydrophobicContact CE2-CD 4.3Å; Y98-K158 HydrophobicContact CE2-CG 4.2Å; Y98-K158 HydrophobicContact CG-CB 4.43Å; Y98-K158 HydrophobicContact CG-CD 4.19Å; Y98-K158 HydrophobicContact CG-CG 4.48Å; F100-K158 WeakPolarHBondContact CZ-O 3.3Å; M156-K158 PolarHBondContact O-N 3.32Å
159L98.1Very high94Very high51 Ų5157.6 Ų57.627%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-149.6132.1-177.3-177.163.4000109.8L92 Y93 F100 Y104 L116 L161L92-L159 HydrophobicContact CB-CD1 4.05Å; L92-L159 HydrophobicContact CD2-CD1 4.19Å; L92-L159 HydrophobicContact CG-CD1 4.21Å; Y93-L159 CarbonylContact O-C 2.96Å; Y93-L159 WeakPolarHBondContact O-CA 3.35Å; F100-L159 HydrophobicContact CE1-CB 4.07Å; F100-L159 HydrophobicContact CE1-CD1 4.05Å; F100-L159 HydrophobicContact CE1-CD2 4.14Å; F100-L159 HydrophobicContact CE1-CG 4.32Å; F100-L159 HydrophobicContact CZ-CB 4.34Å; F100-L159 HydrophobicContact CZ-CD1 4.17Å; Y104-L159 HydrophobicContact CE1-CD2 4.21Å; L116-L159 HydrophobicContact CD1-CD1 4.45Å; L159-L161 HydrophobicContact CD2-CD1 3.83Å; L159-L161 HydrophobicContact CD2-CG 4.45Å; L159-L161 HydrophobicContact CG-CD1 3.89Å; L159-L161 HydrophobicContact CG-CG 4.47Å
160V97.8Very high93.5Very high23 Ų2359.6 Ų59.614%0.13933%0.331CS..EExtended strand (participates in β ladder)trans-119.3123.2167.9-178.70000107.8Y93 F121 I132 L148 V153 T157 V162Y93-V160 PolarHBondContact N-O 3.45Å; Y93-V160 PolarHBondContact O-N 2.91Å; F121-V160 HydrophobicContact CE1-CG2 4.34Å; F121-V160 HydrophobicContact CE2-CG2 4.25Å; F121-V160 HydrophobicContact CZ-CB 4.39Å; F121-V160 HydrophobicContact CZ-CG2 3.63Å; I132-V160 HydrophobicContact CD1-CB 4.35Å; I132-V160 HydrophobicContact CD1-CG1 4.44Å; I132-V160 HydrophobicContact CD1-CG2 4.4Å; L148-V160 HydrophobicContact CD1-CG1 4.4Å; V153-V160 HydrophobicContact CG1-CG2 3.96Å; T157-V160 HydrophobicContact CG2-CG2 3.74Å; V160-V162 HydrophobicContact CG1-CG2 3.81Å
161L96.1Very high93.1Very high44 Ų4463.4 Ų63.423%0.2333%0.334CS..EExtended strand (participates in β ladder)trans-97.8125.4171.9-62.691.4000108.5M41 V42 L92 L159M41-L161 HydrophobicContact CB-CD2 3.46Å; M41-L161 VanDerWaalsContact CB-CD2 3.46Å; M41-L161 HydrophobicContact CE-CD2 4.47Å; V42-L161 HydrophobicContact CG2-CD1 4.01Å; V42-L161 HydrophobicContact CG2-CD2 4.04Å; L92-L161 HydrophobicContact CG-CG 4.34Å; L159-L161 HydrophobicContact CD2-CD1 3.83Å; L159-L161 HydrophobicContact CD2-CG 4.45Å; L159-L161 HydrophobicContact CG-CD1 3.89Å; L159-L161 HydrophobicContact CG-CG 4.47Å
162V93.9Very high92.9Very high4 Ų469.2 Ų69.22%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-118.5124.7-176.8-173.40000109N90 R91 Y93 I132 W135 V136 L147 V160N90-V162 CarbonylContact C-O 3.56Å; N90-V162 WeakPolarHBondContact CA-O 3.31Å; R91-V162 PolarHBondContact N-O 3.19Å; R91-V162 PolarHBondContact O-N 3.36Å; Y93-V162 HydrophobicContact CD2-CG2 3.9Å; Y93-V162 HydrophobicContact CE2-CG2 4.05Å; I132-V162 HydrophobicContact CG2-CG2 3.88Å; W135-V162 HydrophobicContact CE3-CG1 4.31Å; W135-V162 HydrophobicContact CZ3-CB 4.22Å; W135-V162 HydrophobicContact CZ3-CG1 3.77Å; V136-V162 HydrophobicContact CG2-CG1 3.58Å; L147-V162 HydrophobicContact CD2-CG1 3.8Å; V160-V162 HydrophobicContact CG1-CG2 3.81Å
163N91.4Very high92.7Very high18 Ų1873 Ų7310%0.09636%0.357CS..EExtended strand (participates in β ladder)trans-109.9127.7162.1179.8-78000108.3S34 A38 L88 N90S34-N163 VanDerWaalsContact CA-OD1 3.27Å; S34-N163 WeakPolarHBondContact CA-OD1 3.31Å; S34-N163 WeakPolarHBondContact CB-OD1 3.47Å; S34-N163 PolarHBondContact OG-OD1 3.26Å; A38-N163 HydrophobicContact CB-CB 4.18Å; L88-N163 WeakPolarHBondContact CD1-ND2 3.38Å; N90-N163 PolarHBondContact OD1-ND2 2.89Å
164A88.6Confident92.5Very high4 Ų479.2 Ų79.23%0.03338%0.384CS..EExtended strand (participates in β ladder)trans-120.2125.8172.700000109.1A89 W135 V136 Q139 T140A89-A164 PolarHBondContact N-O 3.17Å; A89-A164 PolarHBondContact O-N 3.4Å; W135-A164 HydrophobicContact CZ3-CB 4.26Å; V136-A164 HydrophobicContact CG1-CB 4.41Å; Q139-A164 HydrophobicContact CB-CB 3.98Å; T140-A164 HydrophobicContact CG2-CB 4.12Å
165I87.5Confident92.3Very high44 Ų4483.1 Ų83.123%0.22640%0.397CS..EExtended strand (participates in β ladder)trans-122.3137.1175.2-167.7168.6000110.2F33 L86 K87 L88F33-I165 HydrophobicContact CD1-CD1 4.04Å; L86-I165 HydrophobicContact CD1-CD1 4.32Å; L86-I165 HydrophobicContact CD1-CG1 4.17Å; K87-I165 CarbonylContact O-C 3.57Å; K87-I165 VanDerWaalsContact O-CA 3.3Å; K87-I165 WeakPolarHBondContact O-CA 3.38Å; L88-I165 HydrophobicContact CD1-CB 4.25Å; L88-I165 HydrophobicContact CD1-CD1 4.33Å; L88-I165 HydrophobicContact CD1-CG1 4.33Å
166Y87.5Confident92.3Very high35 Ų3585.8 Ų85.814%0.13741%0.405CS..EExtended strand (participates in β ladder)trans-137.2130.1175.5170.6-100.1000110.1T85 L86 K87 E141 K143 K168T85-Y166 HydrophobicContact CG2-CD1 4.22Å; T85-Y166 HydrophobicContact CG2-CE1 4.02Å; L86-Y166 CarbonylContact C-O 3.58Å; L86-Y166 WeakPolarHBondContact CA-O 3.48Å; K87-Y166 HydrophobicContact CD-CD1 4.39Å; K87-Y166 HydrophobicContact CG-CD1 4.41Å; K87-Y166 PolarHBondContact N-O 3.37Å; K87-Y166 PolarHBondContact O-N 3.35Å; E141-Y166 HydrophobicContact CB-CE1 4.14Å; E141-Y166 HydrophobicContact CB-CE2 4.12Å; E141-Y166 HydrophobicContact CG-CD1 3.85Å; E141-Y166 HydrophobicContact CG-CE1 3.46Å; E141-Y166 VanDerWaalsContact CG-CE1 3.46Å; E141-Y166 HydrophobicContact CG-CE2 4.33Å; E141-Y166 HydrophobicContact CG-CG 4.41Å; K143-Y166 HydrophobicContact CG-CD2 4.27Å; K143-Y166 HydrophobicContact CG-CE2 3.79Å; Y166-K168 HydrophobicContact CE1-CB 3.94Å
167F86.1Confident92.1Very high133 Ų13384.9 Ų84.958%0.58341%0.407SS*.EExtended strand (participates in β ladder)trans-126.6130.7177.6176.7-111.9000110.7H84 T85 L86 G169H84-F167 HydrophobicContact CB-CE2 4.08Å; T85-F167 CarbonylContact O-C 3.57Å; T85-F167 WeakPolarHBondContact O-CA 3.37Å; L86-F167 HydrophobicContact CB-CD2 4.35Å; L86-F167 HydrophobicContact CD1-CB 4.04Å; L86-F167 HydrophobicContact CD1-CD2 4.11Å; F167-G169 VanDerWaalsContact CZ-CA 3.46Å
168K85.5Confident92.1Very high131 Ų13191.1 Ų91.157%0.5744%0.435SS*.EExtended strand (participates in β ladder)trans-13595.6167.6-175.7-177.7-178.8-1780108.2H84 T85 Y166H84-K168 WeakPolarHBondContact CA-O 3.49Å; T85-K168 PolarHBondContact N-O 3Å; T85-K168 PolarHBondContact O-N 3.04Å; Y166-K168 HydrophobicContact CE1-CB 3.94Å
169G85.4Confident92Very high35 Ų3593.9 Ų93.936%0.36145%0.453SS..EExtended strand (participates in β ladder)trans-81.7148.3172.800000111.7F167F167-G169 VanDerWaalsContact CZ-CA 3.46Å
170M86.9Confident92Very high111 Ų11196.3 Ų96.355%0.54747%0.469SS..PPolyproline II helixtrans-94.9133.6157.6-60.9178.661.500107.5S83 E172 K174S83-M170 VanDerWaalsContact O-CB 3.31Å; S83-M170 WeakPolarHBondContact O-CB 3.48Å; S83-M170 WeakPolarHBondContact O-CG 3.43Å; S83-M170 PolarHBondContact O-N 2.92Å; S83-M170 VanDerWaalsContact O-N 3.07Å; M170-E172 PolarHBondContact O-N 3.48Å; M170-K174 VanDerWaalsContact CE-NZ 3.35Å
171W89.3Confident92Very high182 Ų182100.7 Ų100.769%0.68950%0.497SS*.PPolyproline II helixtrans-59138.5169-61.8113.8000109.5E173 K174W171-E173 VanDerWaalsContact C-N 3.29Å; W171-E173 VanDerWaalsContact CB-O 3.3Å; W171-E173 WeakPolarHBondContact CB-O 3.21Å; W171-K174 HydrophobicContact CB-CG 4.31Å
172E90.3Very high92Very high183 Ų183106.9 Ų106.986%0.85553%0.53SS*.SBendtrans-60.2-46.2170-171.765.2-158.800109.5M170M170-E172 PolarHBondContact O-N 3.48Å
173E92.9Very high92.2Very high170 Ų170110.6 Ų110.679%0.79456%0.561SS**SBendtrans-112.8110.3171.4-63.6-175.917800109.5W171W171-E173 VanDerWaalsContact C-N 3.29Å; W171-E173 VanDerWaalsContact CB-O 3.3Å; W171-E173 WeakPolarHBondContact CB-O 3.21Å
174K94.3Very high92.5Very high136 Ų136115.8 Ų115.859%0.59160%0.596SS**PPolyproline II helixtrans-81.9143.1-177.6-63.8177.7-174.11710111M170 W171M170-K174 VanDerWaalsContact CE-NZ 3.35Å; W171-K174 HydrophobicContact CB-CG 4.31Å
175F94.7Very high92.9Very high159 Ų159124.2 Ų124.270%0.69763%0.632SS**PPolyproline II helixtrans-64.4138.7163.9-63.8-90.6000110.3
176M96.3Very high93.3Very high112 Ų112132.5 Ų132.555%0.55266%0.661SS**PPolyproline II helixtrans-73.6132170.5-61.9-57.6-175.800109.1E178 D179M176-E178 VanDerWaalsContact C-N 3.3Å; M176-E178 HydrophobicContact CB-CG 4.13Å; M176-E178 PolarHBondContact O-N 3.39Å; M176-D179 HydrophobicContact CB-CB 4.39Å; M176-D179 PolarHBondContact O-N 3.14Å
177T95.6Very high93.6Very high119 Ų119138.5 Ų138.573%0.7369%0.694SS**G310 helixtrans-68.9-33.4-176.2-54.50000111D179 T180T177-D179 PolarHBondContact O-N 3.31Å; T177-T180 PolarHBondContact O-N 3.33Å
178E96.9Very high93.5Very high154 Ų154140.3 Ų140.372%0.7272%0.723SS**G310 helixtrans-60.9-24173.955.7-106.2-137.800114.6M176M176-E178 VanDerWaalsContact C-N 3.3Å; M176-E178 HydrophobicContact CB-CG 4.13Å; M176-E178 PolarHBondContact O-N 3.39Å
179D97.1Very high93.9Very high124 Ų124140.8 Ų140.866%0.66373%0.731SS**G310 helixtrans-89.5-3.5-179.6-65.4-28.1000112.8M176 T177M176-D179 HydrophobicContact CB-CB 4.39Å; M176-D179 PolarHBondContact O-N 3.14Å; T177-D179 PolarHBondContact O-N 3.31Å
180T97.4Very high94.4Very high101 Ų101146.4 Ų146.462%0.6275%0.751SS**  trans-86.4114.4-179.8-56.80000110.6T177T177-T180 PolarHBondContact O-N 3.33Å
181T97.3Very high94.8Very high116 Ų116148.3 Ų148.371%0.71276%0.762SS**  trans-134.9157-179.156.80000111.8A183T181-A183 PolarHBondContact O-N 3Å
182D98Very high95.1Very high174 Ų174146.4 Ų146.493%0.9377%0.766SS**  trans-63.1132.8177.5-74.8-4.5000111.1
183A97.3Very high95.4Very high82 Ų82144.1 Ų144.168%0.67876%0.761SS**  trans-145.1151.8-179.900000111.6T181 F185T181-A183 PolarHBondContact O-N 3Å; A183-F185 PolarHBondContact O-N 3.37Å
184P97.5Very high95.6Very high127 Ų127142.3 Ų142.383%0.82576%0.758SS**PPolyproline II helixtrans-70.5122.2176.627.9-33.3000111.5
185F97.3Very high95.7Very high181 Ų181142.8 Ų142.879%0.79477%0.77SS**PPolyproline II helixtrans-92.9123169.3-169-91.1000110A183 L187A183-F185 PolarHBondContact O-N 3.37Å; F185-L187 HydrophobicContact CD1-CD2 3.64Å; F185-L187 HydrophobicContact CD1-CG 4.44Å; F185-L187 HydrophobicContact CE1-CD2 3.77Å
186R95.6Very high95.7Very high218 Ų218141.5 Ų141.582%0.82378%0.776SS**PPolyproline II helixtrans-88.2121.8-179.8-61.8-178-172.2-179.41.9109.7
187L93.4Very high95.7Very high160 Ų160144 Ų14484%0.83879%0.794SS**  trans-87.4-14.2177.8-60.3176.2000112.9F185F185-L187 HydrophobicContact CD1-CD2 3.64Å; F185-L187 HydrophobicContact CD1-CG 4.44Å; F185-L187 HydrophobicContact CE1-CD2 3.77Å
188S84.8Confident95.7Very high172 Ų172146.3 Ų146.3100%1.20380%0.8SS**  trans-161.90178.760.50000110.3

Retrieved 188 of 188 residues in 192.1 ms (Link to these results)

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