A0A087X715_POEFO Loading...

Epithelial membrane protein 1

AlphaFold DB , UniProt , Accession A0A087X715, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 160 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
1M79.8Confident93.3Very high178 Ų17871.5 Ų71.588%0.87740%0.395SS*.  0-55.90-159.1166.272.300111.5V3 L4 I5M1-V3 PolarHBondContact O-N 3.44Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.37Å; M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.32Å; M1-I5 VanDerWaalsContact O-N 3.14Å
2L88.1Confident93.8Very high144 Ų14472.4 Ų72.475%0.75440%0.397SS*.Hα-helixtrans-51.9-46.5179.7-66.4172.5000114.6L4 I5 A6L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.18Å; L2-I5 PolarHBondContact O-N 2.86Å; L2-A6 WeakPolarHBondContact O-CB 3.39Å; L2-A6 PolarHBondContact O-N 3.19Å
3V91.9Very high94.1Very high85 Ų8569.5 Ų69.552%0.51539%0.389SS..Hα-helixtrans-61.7-36.7178.8179.40000112.6M1 L7 L157M1-V3 PolarHBondContact O-N 3.44Å; V3-L7 VanDerWaalsContact O-CB 3.27Å; V3-L7 WeakPolarHBondContact O-CB 3.09Å; V3-L7 PolarHBondContact O-N 3.22Å; V3-L157 HydrophobicContact CG1-CD1 3.96Å; V3-L157 HydrophobicContact CG1-CD2 4.25Å
4L92.1Very high94.5Very high48 Ų4864.6 Ų64.625%0.25136%0.361SS..Hα-helixtrans-69-41.4177.5-74.4165.9000111.1M1 L2 L7 S8 F85 L89 F98 L157M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.37Å; L2-L4 VanDerWaalsContact C-N 3.3Å; L2-L4 PolarHBondContact O-N 3.18Å; L4-L7 PolarHBondContact O-N 3.43Å; L4-S8 PolarHBondContact O-N 3.27Å; L4-S8 PolarHBondContact O-OG 3.3Å; L4-S8 VanDerWaalsContact O-OG 3.05Å; L4-F85 HydrophobicContact CD2-CE2 4.11Å; L4-F85 HydrophobicContact CD2-CZ 4.02Å; L4-L89 HydrophobicContact CD1-CD2 4.36Å; L4-L89 HydrophobicContact CD2-CD2 4.07Å; L4-F98 HydrophobicContact CD2-CE2 3.9Å; L4-F98 HydrophobicContact CD2-CZ 3.88Å; L4-L157 HydrophobicContact CD2-CD2 3.42Å; L4-L157 VanDerWaalsContact CD2-CD2 3.42Å; L4-L157 HydrophobicContact CG-CD2 4.04Å
5I93.3Very high94.7Very high85 Ų8561.5 Ų61.544%0.43634%0.343SS..Hα-helixtrans-63.4-47176.3-63.9169.7000110.1M1 L2 L7 S8 I9M1-I5 HydrophobicContact CG-CD1 4.15Å; M1-I5 PolarHBondContact O-N 3.32Å; M1-I5 VanDerWaalsContact O-N 3.14Å; L2-I5 PolarHBondContact O-N 2.86Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 2.82Å; I5-S8 WeakPolarHBondContact O-CB 3.48Å; I5-S8 PolarHBondContact O-N 2.77Å; I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 WeakPolarHBondContact O-CG1 3.41Å; I5-I9 PolarHBondContact O-N 3.22Å
6A95.7Very high95Very high57 Ų5763.4 Ų63.447%0.47135%0.352SS..Hα-helixtrans-59.6-41.4176.600000111.8L2 I9 L10L2-A6 WeakPolarHBondContact O-CB 3.39Å; L2-A6 PolarHBondContact O-N 3.19Å; A6-I9 PolarHBondContact O-N 3.25Å; A6-L10 VanDerWaalsContact O-CB 3.27Å; A6-L10 WeakPolarHBondContact O-CB 3.32Å; A6-L10 PolarHBondContact O-N 3.03Å
7L96.1Very high95.2Very high4 Ų461.8 Ų61.82%0.02134%0.342CS..Hα-helixtrans-63.5-42175.1-18058.9000112.2V3 L4 I5 L10 H11 F85 V153 Y154 L157V3-L7 VanDerWaalsContact O-CB 3.27Å; V3-L7 WeakPolarHBondContact O-CB 3.09Å; V3-L7 PolarHBondContact O-N 3.22Å; L4-L7 PolarHBondContact O-N 3.43Å; I5-L7 VanDerWaalsContact C-N 3.3Å; I5-L7 PolarHBondContact O-N 2.82Å; L7-L10 PolarHBondContact O-N 3.26Å; L7-H11 WeakPolarHBondContact O-CB 3.43Å; L7-H11 PolarHBondContact O-N 2.67Å; L7-F85 HydrophobicContact CD2-CE2 4.37Å; L7-F85 HydrophobicContact CD2-CZ 4.3Å; L7-V153 HydrophobicContact CD1-CB 4.06Å; L7-V153 HydrophobicContact CD1-CG1 3.95Å; L7-V153 HydrophobicContact CD2-CG1 3.93Å; L7-V153 HydrophobicContact CG-CG1 4.39Å; L7-Y154 HydrophobicContact CD1-CE1 4.22Å; L7-Y154 HydrophobicContact CD1-CE2 4.17Å; L7-Y154 HydrophobicContact CD2-CD1 3.69Å; L7-Y154 HydrophobicContact CD2-CE1 3.39Å; L7-Y154 HydrophobicContact CD2-CG 4.45Å; L7-Y154 HydrophobicContact CG-CD1 4.46Å; L7-Y154 HydrophobicContact CG-CE1 3.86Å; L7-L157 HydrophobicContact CD2-CD2 4.03Å
8S95.7Very high95.4Very high35 Ų3558.3 Ų58.325%0.24532%0.323CS..Hα-helixtrans-60.7-46.5174.5-59.20000111.8L4 I5 H11 I12 F85L4-S8 PolarHBondContact O-N 3.27Å; L4-S8 PolarHBondContact O-OG 3.3Å; L4-S8 VanDerWaalsContact O-OG 3.05Å; I5-S8 WeakPolarHBondContact O-CB 3.48Å; I5-S8 PolarHBondContact O-N 2.77Å; S8-H11 PolarHBondContact O-N 2.7Å; S8-I12 VanDerWaalsContact O-CG1 3.28Å; S8-I12 WeakPolarHBondContact O-CG1 3.49Å; S8-I12 PolarHBondContact O-N 3.02Å; S8-F85 WeakPolarHBondContact OG-CE1 3.5Å
9I97.8Very high95.6Very high109 Ų10958.6 Ų58.656%0.55932%0.323SS*.Hα-helixtrans-63-46.6178.6-66.5167.6000110.3I5 A6 H11 I12 A13I5-I9 HydrophobicContact CG2-CD1 3.93Å; I5-I9 WeakPolarHBondContact O-CG1 3.41Å; I5-I9 PolarHBondContact O-N 3.22Å; A6-I9 PolarHBondContact O-N 3.25Å; I9-H11 VanDerWaalsContact C-N 3.31Å; I9-H11 PolarHBondContact O-N 2.71Å; I9-I12 PolarHBondContact O-N 3.26Å; I9-A13 WeakPolarHBondContact O-CB 3.49Å; I9-A13 PolarHBondContact O-N 3.44Å
10L97.9Very high95.7Very high42 Ų4258.3 Ų58.322%0.2232%0.323CS..Hα-helixtrans-58-43.7177.6-178.867.6000111.6A6 L7 A14 L146 I149A6-L10 VanDerWaalsContact O-CB 3.27Å; A6-L10 WeakPolarHBondContact O-CB 3.32Å; A6-L10 PolarHBondContact O-N 3.03Å; L7-L10 PolarHBondContact O-N 3.26Å; L10-A14 WeakPolarHBondContact O-CB 3.34Å; L10-A14 PolarHBondContact O-N 2.81Å; L10-L146 HydrophobicContact CD1-CB 4.13Å; L10-L146 HydrophobicContact CD1-CD1 4.45Å; L10-L146 HydrophobicContact CD1-CD2 3.72Å; L10-L146 HydrophobicContact CD1-CG 4.29Å; L10-I149 HydrophobicContact CD2-CB 4.46Å; L10-I149 HydrophobicContact CD2-CG2 3.94Å
11H98.3Very high95.8Very high0 Ų055.5 Ų55.50%031%0.307CS..Hα-helixtrans-66.5-47.4178.5-163.2156.2000111.4L7 S8 I9 A13 A14 I15 S78 L82 Q105 Y154L7-H11 WeakPolarHBondContact O-CB 3.43Å; L7-H11 PolarHBondContact O-N 2.67Å; S8-H11 PolarHBondContact O-N 2.7Å; I9-H11 VanDerWaalsContact C-N 3.31Å; I9-H11 PolarHBondContact O-N 2.71Å; H11-A13 VanDerWaalsContact C-N 3.3Å; H11-A13 PolarHBondContact O-N 2.88Å; H11-A14 WeakPolarHBondContact O-CB 3.14Å; H11-A14 PolarHBondContact O-N 3.17Å; H11-A14 VanDerWaalsContact O-N 3.12Å; H11-I15 PolarHBondContact O-N 3.49Å; H11-S78 PolarHBondContact CD2-OG 3.14Å; H11-S78 PolarHBondContact NE2-O 3.39Å; H11-S78 PolarHBondContact NE2-OG 3.02Å; H11-S78 VanDerWaalsContact NE2-OG 3.16Å; H11-L82 PolarHBondContact CE1-N 3.16Å; H11-L82 VanDerWaalsContact CE1-N 3.28Å; H11-Q105 PolarHBondContact CE1-OE1 2.94Å; H11-Q105 PolarHBondContact NE2-OE1 3.27Å; H11-Y154 AromaticContact CE1-CE2 3.94Å; H11-Y154 AromaticContact ND1-CE2 3.52Å; H11-Y154 AromaticContact ND1-CZ 3.53Å; H11-Y154 PolarHBondContact ND1-OH 3.25Å
12I98.5Very high96.7Very high82 Ų8247.4 Ų47.442%0.42127%0.268SS..Hα-helixtrans-59.8-43.1177.5-68.1165.7000110.7S8 I9 A14 I15 I16 L82S8-I12 VanDerWaalsContact O-CG1 3.28Å; S8-I12 WeakPolarHBondContact O-CG1 3.49Å; S8-I12 PolarHBondContact O-N 3.02Å; I9-I12 PolarHBondContact O-N 3.26Å; I12-A14 VanDerWaalsContact C-N 3.35Å; I12-A14 PolarHBondContact O-N 3Å; I12-I15 PolarHBondContact O-N 3.24Å; I12-I16 HydrophobicContact CG2-CD1 3.94Å; I12-I16 WeakPolarHBondContact O-CG1 3.34Å; I12-I16 PolarHBondContact O-N 3.36Å; I12-L82 HydrophobicContact CG1-CD2 4.31Å
13A98.6Very high97.2Very high35 Ų3546.2 Ų46.229%0.28926%0.261SS..Hα-helixtrans-59.3-45.5174.800000111.5I9 H11 I15 I16 L17 L146I9-A13 WeakPolarHBondContact O-CB 3.49Å; I9-A13 PolarHBondContact O-N 3.44Å; H11-A13 VanDerWaalsContact C-N 3.3Å; H11-A13 PolarHBondContact O-N 2.88Å; A13-I15 VanDerWaalsContact C-N 3.34Å; A13-I15 PolarHBondContact O-N 2.87Å; A13-I16 PolarHBondContact O-N 3.3Å; A13-L17 WeakPolarHBondContact O-CG 2.97Å; A13-L17 PolarHBondContact O-N 3.44Å; A13-L146 HydrophobicContact CB-CD1 4.26Å
14A98.6Very high97.4Very high0 Ų045.1 Ų45.10%025%0.252CS..Hα-helixtrans-57.7-44.2175.900000112.3L10 H11 I12 L17 L18 L146 T147L10-A14 WeakPolarHBondContact O-CB 3.34Å; L10-A14 PolarHBondContact O-N 2.81Å; H11-A14 WeakPolarHBondContact O-CB 3.14Å; H11-A14 PolarHBondContact O-N 3.17Å; H11-A14 VanDerWaalsContact O-N 3.12Å; I12-A14 VanDerWaalsContact C-N 3.35Å; I12-A14 PolarHBondContact O-N 3Å; A14-L17 PolarHBondContact O-N 2.86Å; A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.22Å; A14-L18 PolarHBondContact O-N 3.26Å; A14-L146 HydrophobicContact CB-CB 3.89Å; A14-T147 HydrophobicContact CB-CG2 3.89Å
15I98.8Very high97.6Very high18 Ų1845.1 Ų45.19%0.09225%0.253CS..Hα-helixtrans-61.6-46.7177-69.5164.8000111.1H11 I12 A13 L17 L18 L19 S78 I79 L82H11-I15 PolarHBondContact O-N 3.49Å; I12-I15 PolarHBondContact O-N 3.24Å; A13-I15 VanDerWaalsContact C-N 3.34Å; A13-I15 PolarHBondContact O-N 2.87Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.25Å; I15-L18 PolarHBondContact O-N 3.29Å; I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CG 3.26Å; I15-L19 PolarHBondContact O-N 3.39Å; I15-S78 VanDerWaalsContact CG1-OG 3.28Å; I15-S78 WeakPolarHBondContact CG1-OG 3.23Å; I15-I79 HydrophobicContact CD1-CG1 4.39Å; I15-I79 HydrophobicContact CG1-CG1 4.49Å; I15-I79 HydrophobicContact CG2-CD1 4.5Å; I15-I79 HydrophobicContact CG2-CG1 3.95Å; I15-L82 HydrophobicContact CD1-CB 3.94Å; I15-L82 HydrophobicContact CD1-CD2 3.69Å; I15-L82 HydrophobicContact CD1-CG 4.39Å
16I98.7Very high97.7Very high93 Ų9341.1 Ų41.148%0.47723%0.233SC..Hα-helixtrans-59.1-46.5178.2-68167.3000110I12 A13 L18 L19 V20I12-I16 HydrophobicContact CG2-CD1 3.94Å; I12-I16 WeakPolarHBondContact O-CG1 3.34Å; I12-I16 PolarHBondContact O-N 3.36Å; A13-I16 PolarHBondContact O-N 3.3Å; I16-L18 PolarHBondContact O-N 3.19Å; I16-L19 PolarHBondContact O-N 3.29Å; I16-V20 HydrophobicContact CG2-CG2 4.29Å; I16-V20 VanDerWaalsContact O-CG2 3.31Å; I16-V20 WeakPolarHBondContact O-CG2 3.22Å; I16-V20 PolarHBondContact O-N 2.86Å
17L98.6Very high97.8Very high35 Ų3538.4 Ų38.418%0.18321%0.21CC..Hα-helixtrans-65.2-39.3179.3-65.1-169.1000112.5A13 A14 I15 L19 V20 A21 L139 I142 A143 L146A13-L17 WeakPolarHBondContact O-CG 2.97Å; A13-L17 PolarHBondContact O-N 3.44Å; A14-L17 PolarHBondContact O-N 2.86Å; I15-L17 VanDerWaalsContact C-N 3.32Å; I15-L17 PolarHBondContact O-N 3.25Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L17-V20 PolarHBondContact O-N 2.97Å; L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 3.41Å; L17-L139 HydrophobicContact CD2-CD1 4.48Å; L17-L139 HydrophobicContact CD2-CD2 3.86Å; L17-I142 HydrophobicContact CD1-CB 4.21Å; L17-I142 HydrophobicContact CD1-CG2 3.55Å; L17-A143 HydrophobicContact CB-CB 3.95Å; L17-L146 HydrophobicContact CD1-CD1 3.8Å
18L98.8Very high97.9Very high0 Ų038.3 Ų38.30%021%0.21CC..Hα-helixtrans-61.2-43.2173.8-73171.2000111.5A14 I15 I16 T22 A74 I112 A143 T147A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 VanDerWaalsContact O-CG 3.27Å; A14-L18 WeakPolarHBondContact O-CG 3.22Å; A14-L18 PolarHBondContact O-N 3.26Å; I15-L18 PolarHBondContact O-N 3.29Å; I16-L18 PolarHBondContact O-N 3.19Å; L18-T22 WeakPolarHBondContact O-CB 3.49Å; L18-T22 PolarHBondContact O-N 3Å; L18-T22 PolarHBondContact O-OG1 3Å; L18-A74 HydrophobicContact CD2-CB 4.01Å; L18-I112 HydrophobicContact CD2-CB 3.75Å; L18-I112 HydrophobicContact CD2-CD1 3.88Å; L18-I112 HydrophobicContact CD2-CG1 3.62Å; L18-I112 HydrophobicContact CD2-CG2 4.08Å; L18-A143 HydrophobicContact CD2-CB 3.7Å; L18-A143 HydrophobicContact CG-CB 3.91Å; L18-T147 HydrophobicContact CD1-CG2 4.05Å
19L98.6Very high97.9Very high64 Ų6438.4 Ų38.434%0.33521%0.208SC..Hα-helixtrans-66.5-46.3178.6-71.7170000111.6I15 I16 L17 T22 I23 C75I15-L19 HydrophobicContact CG2-CD1 3.87Å; I15-L19 HydrophobicContact CG2-CG 4.39Å; I15-L19 WeakPolarHBondContact O-CG 3.26Å; I15-L19 PolarHBondContact O-N 3.39Å; I16-L19 PolarHBondContact O-N 3.29Å; L17-L19 VanDerWaalsContact C-N 3.34Å; L19-T22 PolarHBondContact O-N 2.94Å; L19-T22 VanDerWaalsContact O-N 3.16Å; L19-I23 HydrophobicContact CD2-CD1 4.5Å; L19-I23 WeakPolarHBondContact O-CB 3.41Å; L19-I23 WeakPolarHBondContact O-CG1 3.19Å; L19-I23 PolarHBondContact O-N 3.09Å; L19-C75 HydrophobicContact CD2-CB 4.25Å
20V98.6Very high97.8Very high51 Ų5133.6 Ų33.631%0.30918%0.184SC..Hα-helixtrans-62.5-46.9176.9174.60000110.3I16 L17 T22 I23 D24 L139I16-V20 HydrophobicContact CG2-CG2 4.29Å; I16-V20 VanDerWaalsContact O-CG2 3.31Å; I16-V20 WeakPolarHBondContact O-CG2 3.22Å; I16-V20 PolarHBondContact O-N 2.86Å; L17-V20 PolarHBondContact O-N 2.97Å; V20-T22 PolarHBondContact O-N 3.41Å; V20-I23 PolarHBondContact O-N 3.44Å; V20-D24 HydrophobicContact CG1-CB 4.07Å; V20-D24 WeakPolarHBondContact O-CB 3.18Å; V20-D24 PolarHBondContact O-N 2.9Å; V20-L139 HydrophobicContact CB-CD1 4.23Å; V20-L139 HydrophobicContact CG1-CD1 3.53Å
21A98.3Very high97.3Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-57.1-39.7174.900000111.1L17 W27 S136 L139 A140L17-A21 WeakPolarHBondContact O-CB 3.41Å; L17-A21 PolarHBondContact O-N 3.41Å; A21-W27 PolarHBondContact O-NE1 3.17Å; A21-S136 WeakPolarHBondContact CB-O 3.37Å; A21-L139 HydrophobicContact CB-CB 4.35Å; A21-A140 HydrophobicContact CB-CB 4.07Å
22T98.1Very high96.8Very high8 Ų845.2 Ų45.25%0.04924%0.24CC..Hα-helixtrans-76.3-32.1-177.2-56.40000113.4L18 L19 V20 W40 V72 C75L18-T22 WeakPolarHBondContact O-CB 3.49Å; L18-T22 PolarHBondContact O-N 3Å; L18-T22 PolarHBondContact O-OG1 3Å; L19-T22 PolarHBondContact O-N 2.94Å; L19-T22 VanDerWaalsContact O-N 3.16Å; V20-T22 PolarHBondContact O-N 3.41Å; T22-W40 HydrophobicContact CG2-CZ2 3.95Å; T22-W40 PolarHBondContact O-NE1 3.3Å; T22-V72 HydrophobicContact CG2-CG2 4.46Å; T22-C75 PolarHBondContact OG1-SG 2.83Å
23I97.9Very high96.2Very high120 Ų12045.1 Ų45.162%0.61525%0.245SC*.Hα-helixtrans-103.8-31.9-168.8-61.9167000112.5L19 V20L19-I23 HydrophobicContact CD2-CD1 4.5Å; L19-I23 WeakPolarHBondContact O-CB 3.41Å; L19-I23 WeakPolarHBondContact O-CG1 3.19Å; L19-I23 PolarHBondContact O-N 3.09Å; V20-I23 PolarHBondContact O-N 3.44Å
24D97.1Very high96Very high61 Ų6148.1 Ų48.133%0.32625%0.252SS..SBendtrans-83.5148.4-171.1-162.818.4000112.9V20 A26 D38 H135 S136V20-D24 HydrophobicContact CG1-CB 4.07Å; V20-D24 WeakPolarHBondContact O-CB 3.18Å; V20-D24 PolarHBondContact O-N 2.9Å; D24-A26 VanDerWaalsContact C-N 3.27Å; D24-A26 PolarHBondContact O-N 3.46Å; D24-D38 WeakPolarHBondContact O-CB 3.41Å; D24-H135 IonicContact OD2-CD2 3.68Å; D24-H135 IonicContact OD2-CE1 2.69Å; D24-H135 IonicContact OD2-NE2 3.47Å; D24-H135 PolarHBondContact OD2-NE2 2.77Å; D24-S136 PolarHBondContact O-OG 2.93Å
25N95.3Very high95.9Very high48 Ų4848.5 Ų48.526%0.25726%0.255SS..SBendtrans-85.626.1-152.372.2-22.7000116.1S36 T37 D38 W43N25-S36 CarbonylContact O-C 3.59Å; N25-S36 WeakPolarHBondContact O-CB 3.31Å; N25-S36 PolarHBondContact O-OG 2.98Å; N25-T37 CarbonylContact O-C 3.33Å; N25-T37 PolarHBondContact O-N 3.3Å; N25-D38 VanDerWaalsContact CA-OD2 3.26Å; N25-D38 WeakPolarHBondContact CA-OD2 3.4Å; N25-D38 VanDerWaalsContact CB-OD2 3.28Å; N25-D38 WeakPolarHBondContact CB-OD2 3.33Å; N25-W43 VanDerWaalsContact ND2-CD1 3.27Å; N25-W43 PolarHBondContact ND2-NE1 3.27Å
26A96.9Very high95.8Very high2 Ų248.2 Ų48.22%0.01726%0.255CS..  trans-140.357.9-163.300000114.4D24 V29 G134 H135 S136D24-A26 VanDerWaalsContact C-N 3.27Å; D24-A26 PolarHBondContact O-N 3.46Å; A26-V29 HydrophobicContact CB-CG1 4.31Å; A26-G134 CarbonylContact O-C 3.58Å; A26-G134 WeakPolarHBondContact O-CA 3.47Å; A26-H135 WeakPolarHBondContact CB-CE1 3.41Å; A26-H135 VanDerWaalsContact CB-ND1 3.35Å; A26-H135 WeakPolarHBondContact CB-ND1 3.46Å; A26-H135 PolarHBondContact O-N 3.26Å; A26-S136 PolarHBondContact N-OG 2.99Å; A26-S136 WeakPolarHBondContact O-CB 3.46Å; A26-S136 PolarHBondContact O-N 2.93Å
27W97.6Very high95.7Very high0 Ų043.8 Ų43.80%023%0.232CC..SBendtrans-76.4-38.4164.8-80.857.7000112A21 T37 V39 V67 T71 A115 Y119 Y133 G134 F137 A140A21-W27 PolarHBondContact O-NE1 3.17Å; W27-T37 WeakPolarHBondContact CA-O 3.36Å; W27-T37 WeakPolarHBondContact CB-O 3.41Å; W27-T37 PolarHBondContact N-O 2.88Å; W27-V39 HydrophobicContact CD2-CG1 3.46Å; W27-V39 VanDerWaalsContact CD2-CG1 3.46Å; W27-V39 HydrophobicContact CE3-CG1 3.78Å; W27-V39 HydrophobicContact CG-CG1 3.96Å; W27-V39 HydrophobicContact CH2-CG1 3.96Å; W27-V39 HydrophobicContact CZ2-CG1 3.64Å; W27-V39 HydrophobicContact CZ3-CG1 4.01Å; W27-V67 HydrophobicContact CH2-CG1 4.33Å; W27-V67 HydrophobicContact CZ3-CG1 4.13Å; W27-T71 HydrophobicContact CH2-CG2 3.68Å; W27-T71 HydrophobicContact CZ2-CG2 3.74Å; W27-A115 HydrophobicContact CH2-CB 4.44Å; W27-Y119 HydrophobicContact CB-CE1 4.05Å; W27-Y119 HydrophobicContact CB-CE2 4.38Å; W27-Y119 WeakPolarHBondContact CB-OH 3.25Å; W27-Y119 AromaticContact CE3-CD1 3.72Å; W27-Y119 HydrophobicContact CE3-CD1 3.72Å; W27-Y119 AromaticContact CE3-CD2 3.65Å; W27-Y119 HydrophobicContact CE3-CD2 3.65Å; W27-Y119 AromaticContact CE3-CE1 3.95Å; W27-Y119 HydrophobicContact CE3-CE1 3.95Å; W27-Y119 AromaticContact CE3-CE2 3.88Å; W27-Y119 HydrophobicContact CE3-CE2 3.88Å; W27-Y119 AromaticContact CE3-CG 3.54Å; W27-Y119 HydrophobicContact CE3-CG 3.54Å; W27-Y119 HydrophobicContact CZ3-CD1 4.28Å; W27-Y119 HydrophobicContact CZ3-CD2 4.02Å; W27-Y119 AromaticContact CZ3-CG 3.78Å; W27-Y119 HydrophobicContact CZ3-CG 3.78Å; W27-Y133 WeakPolarHBondContact O-CA 3.24Å; W27-G134 PolarHBondContact O-N 3.28Å; W27-F137 HydrophobicContact CB-CB 4.42Å; W27-F137 HydrophobicContact CD2-CB 4.42Å; W27-F137 HydrophobicContact CE3-CB 4.47Å; W27-F137 AromaticContact CE3-CD2 3.83Å; W27-F137 HydrophobicContact CE3-CD2 3.83Å; W27-F137 HydrophobicContact CG-CB 4.47Å; W27-F137 HydrophobicContact CZ3-CD2 4.1Å; W27-F137 WeakPolarHBondContact O-CB 3.46Å; W27-A140 HydrophobicContact CH2-CB 4.31Å; W27-A140 HydrophobicContact CZ2-CB 4.31Å
28W97.1Very high95.5Very high2 Ų242.6 Ų42.61%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-137.3133.7176.6-175.6-97.8000111T37 Y119 H124 E127 K128 G131 N132 Y133W28-T37 PolarHBondContact N-O 2.9Å; W28-T37 PolarHBondContact O-N 2.89Å; W28-Y119 WeakPolarHBondContact CB-OH 3.41Å; W28-H124 WeakPolarHBondContact CB-NE2 3.34Å; W28-H124 AromaticContact CD1-CE1 3.13Å; W28-H124 AromaticContact CD1-CG 3.86Å; W28-H124 AromaticContact CD1-ND1 3.31Å; W28-H124 VanDerWaalsContact CD1-ND1 3.31Å; W28-H124 AromaticContact CD1-NE2 3.69Å; W28-H124 HydrophobicContact CD2-CB 3.69Å; W28-H124 AromaticContact CD2-CD2 3.55Å; W28-H124 AromaticContact CD2-CE1 3.88Å; W28-H124 AromaticContact CD2-CG 3.34Å; W28-H124 AromaticContact CD2-ND1 3.63Å; W28-H124 AromaticContact CD2-NE2 3.91Å; W28-H124 AromaticContact CE2-CG 3.53Å; W28-H124 AromaticContact CE2-ND1 3.53Å; W28-H124 HydrophobicContact CE3-CB 3.72Å; W28-H124 AromaticContact CE3-CD2 3.81Å; W28-H124 AromaticContact CE3-CG 3.75Å; W28-H124 HydrophobicContact CG-CB 4.42Å; W28-H124 AromaticContact CG-CD2 3.49Å; W28-H124 VanDerWaalsContact CG-CD2 3.49Å; W28-H124 AromaticContact CG-CE1 3.26Å; W28-H124 AromaticContact CG-CG 3.59Å; W28-H124 AromaticContact CG-ND1 3.5Å; W28-H124 AromaticContact CG-NE2 3.31Å; W28-H124 VanDerWaalsContact CG-NE2 3.31Å; W28-H124 HydrophobicContact CH2-CB 3.69Å; W28-H124 HydrophobicContact CZ2-CB 3.64Å; W28-H124 HydrophobicContact CZ3-CB 3.73Å; W28-H124 AromaticContact NE1-CE1 3.63Å; W28-H124 AromaticContact NE1-CG 3.79Å; W28-H124 AromaticContact NE1-ND1 3.28Å; W28-H124 PolarHBondContact NE1-ND1 2.71Å; W28-E127 HydrophobicContact CZ2-CB 4.08Å; W28-K128 HydrophobicContact CH2-CG 4.31Å; W28-G131 WeakPolarHBondContact CH2-O 3.48Å; W28-G131 WeakPolarHBondContact CZ2-O 3.45Å; W28-N132 VanDerWaalsContact CE3-C 3.44Å; W28-Y133 AromaticContact CE3-CD1 3.86Å; W28-Y133 HydrophobicContact CE3-CD1 3.86Å; W28-Y133 HydrophobicContact CE3-CE1 4.03Å; W28-Y133 HydrophobicContact CE3-CG 4.26Å; W28-Y133 HydrophobicContact CZ3-CD1 4.05Å; W28-Y133 HydrophobicContact CZ3-CD2 4.26Å; W28-Y133 HydrophobicContact CZ3-CE1 4.01Å; W28-Y133 HydrophobicContact CZ3-CE2 4.24Å; W28-Y133 HydrophobicContact CZ3-CG 4.16Å
29V96.6Very high95.4Very high36 Ų3642.6 Ų42.622%0.21823%0.226CC..EExtended strand (participates in β ladder)trans-125.9136.9-179.1-64.40000110.5A26 T35 G131 N132A26-V29 HydrophobicContact CB-CG1 4.31Å; V29-T35 WeakPolarHBondContact CA-O 3.14Å; V29-G131 CarbonylContact O-C 3.56Å; V29-G131 WeakPolarHBondContact O-CA 3.38Å; V29-N132 WeakPolarHBondContact CG2-O 3.47Å; V29-N132 PolarHBondContact N-O 3.47Å; V29-N132 PolarHBondContact O-N 3.43Å
30T95.2Very high95.4Very high8 Ų845 Ų455%0.04923%0.231CC..EExtended strand (participates in β ladder)trans-118.4152.5174.662.80000110.2P33 Q34 T35 I130T30-P33 CarbonylContact C-O 3.57Å; T30-P33 WeakPolarHBondContact CB-O 3.39Å; T30-P33 PolarHBondContact OG1-O 3.15Å; T30-Q34 VanDerWaalsContact O-CA 3.31Å; T30-Q34 WeakPolarHBondContact O-CA 3.31Å; T30-T35 PolarHBondContact N-O 3.31Å; T30-T35 PolarHBondContact O-N 3.37Å; T30-T35 VanDerWaalsContact O-N 3.15Å; T30-T35 WeakPolarHBondContact OG1-CB 3.25Å; T30-T35 PolarHBondContact OG1-N 3.19Å; T30-T35 VanDerWaalsContact OG1-N 3.16Å; T30-T35 PolarHBondContact OG1-OG1 3.38Å; T30-I130 WeakPolarHBondContact CA-O 3.34Å; T30-I130 WeakPolarHBondContact CB-O 3.31Å
31F88.1Confident95.3Very high148 Ų14842.9 Ų42.965%0.64922%0.218SC*.EExtended strand (participates in β ladder)trans-100.4-28.2-177.6-60.3-77.7000113.6P33 I130F31-P33 CarbonylContact C-O 3.44Å; F31-I130 PolarHBondContact N-O 2.93Å
32N86Confident95.2Very high138 Ų13844.7 Ų44.774%0.73823%0.225SC*.THydrogen-bonded Turntrans-149.1105.1177.6-168.79.4000111.5
33P86.5Confident95.1Very high81 Ų8148 Ų4853%0.52624%0.237SC..THydrogen-bonded Turncis-63153.9-6.128.3-34.7000111.5T30 F31 T35T30-P33 CarbonylContact C-O 3.57Å; T30-P33 WeakPolarHBondContact CB-O 3.39Å; T30-P33 PolarHBondContact OG1-O 3.15Å; F31-P33 CarbonylContact C-O 3.44Å; P33-T35 HydrophobicContact CB-CG2 4.47Å; P33-T35 HydrophobicContact CG-CG2 4.25Å; P33-T35 PolarHBondContact O-N 2.89Å
34Q94.3Very high95.1Very high97 Ų9743.8 Ų43.845%0.45322%0.217SC..EExtended strand (participates in β ladder)trans-75112177.4-175.4173-700109.9T30 L45 W50T30-Q34 VanDerWaalsContact O-CA 3.31Å; T30-Q34 WeakPolarHBondContact O-CA 3.31Å; Q34-L45 HydrophobicContact CB-CB 4.09Å; Q34-L45 HydrophobicContact CB-CD2 4.17Å; Q34-L45 HydrophobicContact CG-CB 4.39Å; Q34-L45 HydrophobicContact CG-CD2 4.25Å; Q34-L45 WeakPolarHBondContact O-CB 3.44Å; Q34-L45 PolarHBondContact O-N 3.38Å; Q34-L45 VanDerWaalsContact OE1-CD2 3.24Å; Q34-W50 HydrophobicContact CG-CH2 3.94Å; Q34-W50 HydrophobicContact CG-CZ2 4.33Å
35T95.9Very high95Very high8 Ų843.1 Ų43.15%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-133.5152.817978.80000111.5V29 T30 P33 W43 V44V29-T35 WeakPolarHBondContact CA-O 3.14Å; T30-T35 PolarHBondContact N-O 3.31Å; T30-T35 PolarHBondContact O-N 3.37Å; T30-T35 VanDerWaalsContact O-N 3.15Å; T30-T35 WeakPolarHBondContact OG1-CB 3.25Å; T30-T35 PolarHBondContact OG1-N 3.19Å; T30-T35 VanDerWaalsContact OG1-N 3.16Å; T30-T35 PolarHBondContact OG1-OG1 3.38Å; P33-T35 HydrophobicContact CB-CG2 4.47Å; P33-T35 HydrophobicContact CG-CG2 4.25Å; P33-T35 PolarHBondContact O-N 2.89Å; T35-W43 CarbonylContact C-O 3.06Å; T35-W43 WeakPolarHBondContact CA-O 3.41Å; T35-W43 WeakPolarHBondContact CB-O 3.47Å; T35-V44 HydrophobicContact CG2-CB 4.43Å; T35-V44 HydrophobicContact CG2-CG1 4.24Å; T35-V44 HydrophobicContact CG2-CG2 4.02Å
36S96.7Very high95Very high13 Ų1344.1 Ų44.19%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-131.6115.7172.6-160.80000108.2N25 W43N25-S36 CarbonylContact O-C 3.59Å; N25-S36 WeakPolarHBondContact O-CB 3.31Å; N25-S36 PolarHBondContact O-OG 2.98Å; S36-W43 PolarHBondContact N-O 3.5Å; S36-W43 WeakPolarHBondContact O-CB 3.25Å; S36-W43 PolarHBondContact O-N 3.28Å
37T96.6Very high94.7Very high0 Ų051.1 Ų51.10%026%0.258CS..EExtended strand (participates in β ladder)trans-113.7131.4-174.5-53.60000109.2N25 W27 W28 R42 L55N25-T37 CarbonylContact O-C 3.33Å; N25-T37 PolarHBondContact O-N 3.3Å; W27-T37 WeakPolarHBondContact CA-O 3.36Å; W27-T37 WeakPolarHBondContact CB-O 3.41Å; W27-T37 PolarHBondContact N-O 2.88Å; W28-T37 PolarHBondContact N-O 2.9Å; W28-T37 PolarHBondContact O-N 2.89Å; T37-R42 HydrophobicContact CG2-CB 4.3Å; T37-R42 WeakPolarHBondContact OG1-CG 2.97Å; T37-R42 PolarHBondContact OG1-NE 3.44Å; T37-L55 HydrophobicContact CG2-CD2 3.44Å; T37-L55 VanDerWaalsContact CG2-CD2 3.44Å
38D95.8Very high94.5Very high9 Ų958.5 Ų58.55%0.04830%0.297CS..  trans-109.8-166.1168.656.759.2000111.3D24 N25 W40 G41D24-D38 WeakPolarHBondContact O-CB 3.41Å; N25-D38 VanDerWaalsContact CA-OD2 3.26Å; N25-D38 WeakPolarHBondContact CA-OD2 3.4Å; N25-D38 VanDerWaalsContact CB-OD2 3.28Å; N25-D38 WeakPolarHBondContact CB-OD2 3.33Å; D38-W40 VanDerWaalsContact C-N 3.26Å; D38-W40 PolarHBondContact O-N 2.94Å; D38-W40 VanDerWaalsContact OD1-CA 3.28Å; D38-W40 WeakPolarHBondContact OD1-CA 3.32Å; D38-W40 WeakPolarHBondContact OD1-CB 3.28Å; D38-W40 PolarHBondContact OD1-N 3.18Å; D38-G41 PolarHBondContact N-O 3.46Å; D38-G41 PolarHBondContact OD1-N 2.96Å
39V96.8Very high94.4Very high0 Ų065.5 Ų65.50%033%0.328CS..SBendtrans-79.1-8.7-179.8-61.90000113W27 V67 Q68W27-V39 HydrophobicContact CD2-CG1 3.46Å; W27-V39 VanDerWaalsContact CD2-CG1 3.46Å; W27-V39 HydrophobicContact CE3-CG1 3.78Å; W27-V39 HydrophobicContact CG-CG1 3.96Å; W27-V39 HydrophobicContact CH2-CG1 3.96Å; W27-V39 HydrophobicContact CZ2-CG1 3.64Å; W27-V39 HydrophobicContact CZ3-CG1 4.01Å; V39-V67 HydrophobicContact CG1-CG1 3.85Å; V39-Q68 HydrophobicContact CB-CG 4.46Å; V39-Q68 VanDerWaalsContact O-CG 3.27Å; V39-Q68 WeakPolarHBondContact O-CG 3.31Å; V39-Q68 PolarHBondContact O-NE2 3.43Å
40W97.6Very high94.3Very high116 Ų11669 Ų6944%0.43934%0.337SS..SBendtrans-112.6-34.8-176.9-50110.6000113.4T22 D38 Q68 V72T22-W40 HydrophobicContact CG2-CZ2 3.95Å; T22-W40 PolarHBondContact O-NE1 3.3Å; D38-W40 VanDerWaalsContact C-N 3.26Å; D38-W40 PolarHBondContact O-N 2.94Å; D38-W40 VanDerWaalsContact OD1-CA 3.28Å; D38-W40 WeakPolarHBondContact OD1-CA 3.32Å; D38-W40 WeakPolarHBondContact OD1-CB 3.28Å; D38-W40 PolarHBondContact OD1-N 3.18Å; W40-Q68 HydrophobicContact CE3-CG 4.02Å; W40-Q68 HydrophobicContact CH2-CB 3.96Å; W40-Q68 HydrophobicContact CH2-CG 4.22Å; W40-Q68 HydrophobicContact CZ3-CB 3.76Å; W40-Q68 HydrophobicContact CZ3-CG 3.69Å; W40-V72 HydrophobicContact CH2-CG2 3.7Å; W40-V72 HydrophobicContact CZ2-CG2 3.87Å
41G96.5Very high94.4Very high5 Ų572.2 Ų72.25%0.05235%0.354CS..  trans-160.2174.3-171.600000114D38D38-G41 PolarHBondContact N-O 3.46Å; D38-G41 PolarHBondContact OD1-N 2.96Å
42R96.4Very high94.8Very high39 Ų3970.3 Ų70.315%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-124.2126.3177.1177.8172.6-70.5-176.6-1.2110.7T37 V44 T53 Y59T37-R42 HydrophobicContact CG2-CB 4.3Å; T37-R42 WeakPolarHBondContact OG1-CG 2.97Å; T37-R42 PolarHBondContact OG1-NE 3.44Å; R42-V44 HydrophobicContact CG-CG2 4.01Å; R42-T53 PolarHBondContact N-O 2.69Å; R42-T53 PolarHBondContact O-N 3.2Å; R42-T53 PolarHBondContact O-OG1 2.96Å; R42-Y59 PolarHBondContact NH2-OH 3.05Å
43W96.7Very high95.2Very high76 Ų7666.5 Ų66.529%0.28833%0.332SS..EExtended strand (participates in β ladder)trans-92.5127.9170.5-63.983000109.4N25 T35 S36 W50 N51 L52N25-W43 VanDerWaalsContact ND2-CD1 3.27Å; N25-W43 PolarHBondContact ND2-NE1 3.27Å; T35-W43 CarbonylContact C-O 3.06Å; T35-W43 WeakPolarHBondContact CA-O 3.41Å; T35-W43 WeakPolarHBondContact CB-O 3.47Å; S36-W43 PolarHBondContact N-O 3.5Å; S36-W43 WeakPolarHBondContact O-CB 3.25Å; S36-W43 PolarHBondContact O-N 3.28Å; W43-W50 HydrophobicContact CB-CE3 3.6Å; W43-W50 HydrophobicContact CB-CZ3 3.85Å; W43-W50 HydrophobicContact CE3-CB 3.95Å; W43-W50 HydrophobicContact CZ3-CB 4.4Å; W43-W50 WeakPolarHBondContact O-CZ3 3.39Å; W43-N51 WeakPolarHBondContact CA-O 3.39Å; W43-L52 HydrophobicContact CD2-CB 4.31Å; W43-L52 HydrophobicContact CD2-CD1 4.21Å; W43-L52 HydrophobicContact CE3-CB 4.14Å; W43-L52 HydrophobicContact CG-CD1 4.45Å; W43-L52 HydrophobicContact CH2-CB 4.12Å; W43-L52 HydrophobicContact CZ2-CB 4.24Å; W43-L52 HydrophobicContact CZ2-CD1 4.19Å; W43-L52 HydrophobicContact CZ2-CD2 4.48Å; W43-L52 HydrophobicContact CZ3-CB 4.06Å
44V96.6Very high95.7Very high32 Ų3269.7 Ų69.719%0.19435%0.345CS..EExtended strand (participates in β ladder)trans-119127.9177.8-176.70000109T35 R42 T46 N51 T53T35-V44 HydrophobicContact CG2-CB 4.43Å; T35-V44 HydrophobicContact CG2-CG1 4.24Å; T35-V44 HydrophobicContact CG2-CG2 4.02Å; R42-V44 HydrophobicContact CG-CG2 4.01Å; V44-T46 PolarHBondContact O-N 3.13Å; V44-N51 PolarHBondContact N-O 3.03Å; V44-N51 PolarHBondContact O-N 3.49Å; V44-T53 HydrophobicContact CG2-CG2 4.46Å
45L95.9Very high95.7Very high48 Ų4866.2 Ų66.225%0.25133%0.329SS..EExtended strand (participates in β ladder)trans-82.7110.6175.4-173.267.6000109.8Q34 W50Q34-L45 HydrophobicContact CB-CB 4.09Å; Q34-L45 HydrophobicContact CB-CD2 4.17Å; Q34-L45 HydrophobicContact CG-CB 4.39Å; Q34-L45 HydrophobicContact CG-CD2 4.25Å; Q34-L45 WeakPolarHBondContact O-CB 3.44Å; Q34-L45 PolarHBondContact O-N 3.38Å; Q34-L45 VanDerWaalsContact OE1-CD2 3.24Å; L45-W50 HydrophobicContact CB-CD2 4.28Å; L45-W50 HydrophobicContact CB-CE3 4.08Å; L45-W50 HydrophobicContact CB-CH2 4.25Å; L45-W50 HydrophobicContact CB-CZ2 4.38Å; L45-W50 HydrophobicContact CB-CZ3 4.08Å; L45-W50 HydrophobicContact CD1-CD2 4.08Å; L45-W50 HydrophobicContact CD1-CG 4.16Å
46T94.4Very high95.5Very high68 Ų6867 Ų6742%0.41733%0.334SS..EExtended strand (participates in β ladder)trans-126.9125.6177.9-53.70000109V44 N48 K49V44-T46 PolarHBondContact O-N 3.13Å; T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 3Å; T46-K49 PolarHBondContact N-O 3.48Å; T46-K49 PolarHBondContact O-N 3.27Å; T46-K49 VanDerWaalsContact O-O 3.11Å
47N92.4Very high95.2Very high150 Ų15072.7 Ų72.780%0.80237%0.374SS*.THydrogen-bonded Turntrans50.746.5-179.8-60.3-30.8000113.2K49N47-K49 PolarHBondContact O-N 3.45Å
48N91.5Very high94.9Very high154 Ų15477.2 Ų77.282%0.82441%0.406SS*.THydrogen-bonded Turntrans58.323-176.2-67.5-7000115.3T46T46-N48 VanDerWaalsContact C-N 3.3Å; T46-N48 PolarHBondContact O-N 3Å
49K95Very high94.8Very high150 Ų15077.7 Ų77.765%0.65241%0.407SS*.EExtended strand (participates in β ladder)trans-127.1134.2174.1-65.3-177.1-178.5-178.70110.6T46 N47 N51T46-K49 PolarHBondContact N-O 3.48Å; T46-K49 PolarHBondContact O-N 3.27Å; T46-K49 VanDerWaalsContact O-O 3.11Å; N47-K49 PolarHBondContact O-N 3.45Å; K49-N51 PolarHBondContact O-ND2 2.65Å; K49-N51 VanDerWaalsContact O-ND2 3.12Å
50W95.7Very high94.7Very high108 Ų10882.4 Ų82.441%0.40943%0.429SS..EExtended strand (participates in β ladder)trans-79.1124.2173.7-76.1108.8000109.8Q34 W43 L45Q34-W50 HydrophobicContact CG-CH2 3.94Å; Q34-W50 HydrophobicContact CG-CZ2 4.33Å; W43-W50 HydrophobicContact CB-CE3 3.6Å; W43-W50 HydrophobicContact CB-CZ3 3.85Å; W43-W50 HydrophobicContact CE3-CB 3.95Å; W43-W50 HydrophobicContact CZ3-CB 4.4Å; W43-W50 WeakPolarHBondContact O-CZ3 3.39Å; L45-W50 HydrophobicContact CB-CD2 4.28Å; L45-W50 HydrophobicContact CB-CE3 4.08Å; L45-W50 HydrophobicContact CB-CH2 4.25Å; L45-W50 HydrophobicContact CB-CZ2 4.38Å; L45-W50 HydrophobicContact CB-CZ3 4.08Å; L45-W50 HydrophobicContact CD1-CD2 4.08Å; L45-W50 HydrophobicContact CD1-CG 4.16Å
51N96.1Very high94.6Very high77 Ų7783.7 Ų83.741%0.41244%0.44SS..EExtended strand (participates in β ladder)trans-117.6128.8176.2-58.9-80.7000109W43 V44 K49W43-N51 WeakPolarHBondContact CA-O 3.39Å; V44-N51 PolarHBondContact N-O 3.03Å; V44-N51 PolarHBondContact O-N 3.49Å; K49-N51 PolarHBondContact O-ND2 2.65Å; K49-N51 VanDerWaalsContact O-ND2 3.12Å
52L96.5Very high94.6Very high107 Ų10789.7 Ų89.756%0.5647%0.471SS*.EExtended strand (participates in β ladder)trans-76.2133.7172.5-18063.5000109.3W43W43-L52 HydrophobicContact CD2-CB 4.31Å; W43-L52 HydrophobicContact CD2-CD1 4.21Å; W43-L52 HydrophobicContact CE3-CB 4.14Å; W43-L52 HydrophobicContact CG-CD1 4.45Å; W43-L52 HydrophobicContact CH2-CB 4.12Å; W43-L52 HydrophobicContact CZ2-CB 4.24Å; W43-L52 HydrophobicContact CZ2-CD1 4.19Å; W43-L52 HydrophobicContact CZ2-CD2 4.48Å; W43-L52 HydrophobicContact CZ3-CB 4.06Å
53T96.3Very high94.6Very high59 Ų5991.5 Ų91.536%0.36248%0.478SS..EExtended strand (participates in β ladder)trans-134158.4177.358.10000109.2R42 V44R42-T53 PolarHBondContact N-O 2.69Å; R42-T53 PolarHBondContact O-N 3.2Å; R42-T53 PolarHBondContact O-OG1 2.96Å; V44-T53 HydrophobicContact CG2-CG2 4.46Å
54D95.9Very high94.7Very high147 Ų14788.9 Ų88.979%0.78647%0.47SS*.PPolyproline II helixtrans-61.5156.7172.1-65.2-40000111.1
55L95.2Very high94.7Very high25 Ų2592.9 Ų92.913%0.13149%0.486CS..PPolyproline II helixtrans-61.4150.6171.3-70170.3000110.6T37 S57 Y59 L64T37-L55 HydrophobicContact CG2-CD2 3.44Å; T37-L55 VanDerWaalsContact CG2-CD2 3.44Å; L55-S57 PolarHBondContact O-N 3.14Å; L55-Y59 HydrophobicContact CB-CD2 4.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.2Å; L55-L64 HydrophobicContact CB-CD2 4.45Å; L55-L64 HydrophobicContact CD1-CD1 3.75Å; L55-L64 HydrophobicContact CD1-CD2 3.63Å; L55-L64 HydrophobicContact CD1-CG 4.27Å
56P90.9Very high94.8Very high24 Ų2492.1 Ų92.116%0.15649%0.487CS..PPolyproline II helixtrans-55.5135.7-177.6-25.935.3000112.3S58 Y59P56-S58 WeakPolarHBondContact CB-OG 3.16Å; P56-S58 PolarHBondContact O-N 3.46Å; P56-S58 VanDerWaalsContact O-N 3.08Å; P56-Y59 HydrophobicContact CB-CD1 3.85Å; P56-Y59 HydrophobicContact CB-CE1 3.97Å; P56-Y59 HydrophobicContact CG-CD1 4.01Å; P56-Y59 HydrophobicContact CG-CE1 3.64Å; P56-Y59 WeakPolarHBondContact O-CB 3.26Å; P56-Y59 PolarHBondContact O-N 2.97Å
57S90.8Very high95Very high133 Ų13388.9 Ų88.993%0.9347%0.467SS*.THydrogen-bonded Turntrans-63-15.2174.455.80000113.5L55 Y59L55-S57 PolarHBondContact O-N 3.14Å; S57-Y59 PolarHBondContact O-N 3.37Å
58S90.4Very high95.3Very high94 Ų9483.8 Ų83.866%0.65744%0.438SS*.THydrogen-bonded Turntrans-75.3-10.1173.260.40000113.8P56P56-S58 WeakPolarHBondContact CB-OG 3.16Å; P56-S58 PolarHBondContact O-N 3.46Å; P56-S58 VanDerWaalsContact O-N 3.08Å
59Y93.2Very high95.6Very high19 Ų1978.9 Ų78.98%0.07542%0.419CS..SBendtrans-70.9130.1176.5-82.725.1000110.1R42 L55 P56 S57 Q61 L64 F123 H124R42-Y59 PolarHBondContact NH2-OH 3.05Å; L55-Y59 HydrophobicContact CB-CD2 4.42Å; L55-Y59 HydrophobicContact CD2-CE2 4.2Å; P56-Y59 HydrophobicContact CB-CD1 3.85Å; P56-Y59 HydrophobicContact CB-CE1 3.97Å; P56-Y59 HydrophobicContact CG-CD1 4.01Å; P56-Y59 HydrophobicContact CG-CE1 3.64Å; P56-Y59 WeakPolarHBondContact O-CB 3.26Å; P56-Y59 PolarHBondContact O-N 2.97Å; S57-Y59 PolarHBondContact O-N 3.37Å; Y59-Q61 PolarHBondContact O-N 3.38Å; Y59-Q61 VanDerWaalsContact O-N 3.08Å; Y59-L64 HydrophobicContact CD2-CD1 4.36Å; Y59-L64 HydrophobicContact CD2-CD2 4.35Å; Y59-F123 AromaticContact CD1-CD1 3.98Å; Y59-F123 HydrophobicContact CD1-CD1 3.98Å; Y59-F123 HydrophobicContact CD1-CE1 4.33Å; Y59-F123 AromaticContact CD2-CD1 3.36Å; Y59-F123 HydrophobicContact CD2-CD1 3.36Å; Y59-F123 AromaticContact CD2-CE1 3.33Å; Y59-F123 HydrophobicContact CD2-CE1 3.33Å; Y59-F123 HydrophobicContact CE1-CD1 4.13Å; Y59-F123 AromaticContact CE2-CD1 3.51Å; Y59-F123 HydrophobicContact CE2-CD1 3.51Å; Y59-F123 AromaticContact CE2-CE1 3.95Å; Y59-F123 HydrophobicContact CE2-CE1 3.95Å; Y59-F123 HydrophobicContact CE2-CG 4.44Å; Y59-F123 AromaticContact CG-CD1 3.62Å; Y59-F123 HydrophobicContact CG-CD1 3.62Å; Y59-F123 AromaticContact CG-CE1 3.56Å; Y59-F123 HydrophobicContact CG-CE1 3.56Å; Y59-F123 AromaticContact CZ-CD1 3.92Å; Y59-H124 AromaticContact CZ-CE1 3.89Å; Y59-H124 AromaticContact CZ-NE2 3.89Å; Y59-H124 PolarHBondContact OH-CE1 3.48Å; Y59-H124 PolarHBondContact OH-NE2 2.73Å
60E94.4Very high95.8Very high99 Ų9972.5 Ų72.546%0.46339%0.393SS..  trans-63.9110.8173.1-64.3-174.1-106.700109.5D62 Y63 L64 R122E60-D62 VanDerWaalsContact C-N 3.34Å; E60-D62 PolarHBondContact O-N 3.11Å; E60-Y63 HydrophobicContact CB-CD2 3.67Å; E60-Y63 HydrophobicContact CB-CE2 4.48Å; E60-Y63 HydrophobicContact CG-CD2 4.32Å; E60-Y63 PolarHBondContact O-N 2.99Å; E60-Y63 VanDerWaalsContact OE2-CE2 3.27Å; E60-Y63 WeakPolarHBondContact OE2-CE2 3.5Å; E60-L64 PolarHBondContact O-N 2.98Å; E60-R122 IonicContact OE1-NH1 3.72Å
61Q95.3Very high96Very high143 Ų14367.3 Ų67.367%0.66837%0.373SS*.Hα-helixtrans-60.9-39.4-169.9-72.7-169.4-16.200113.1Y59 Y63 L64 Q65Y59-Q61 PolarHBondContact O-N 3.38Å; Y59-Q61 VanDerWaalsContact O-N 3.08Å; Q61-Y63 PolarHBondContact O-N 2.97Å; Q61-L64 PolarHBondContact O-N 3.41Å; Q61-Q65 WeakPolarHBondContact O-CB 3.29Å; Q61-Q65 WeakPolarHBondContact O-CG 3.43Å; Q61-Q65 PolarHBondContact O-N 3.23Å
62D96.9Very high96.1Very high132 Ų13266.3 Ų66.371%0.70637%0.37SS*.Hα-helixtrans-61.7-43.6-178.9-63.6-13000111.6E60 A66E60-D62 VanDerWaalsContact C-N 3.34Å; E60-D62 PolarHBondContact O-N 3.11Å; D62-A66 WeakPolarHBondContact O-CB 3.35Å; D62-A66 PolarHBondContact O-N 3.42Å
63Y97.6Very high96.2Very high77 Ų7764.1 Ų64.130%0.30236%0.358SS..Hα-helixtrans-70.1-37176.6-68-68.6000111.8E60 Q61 A66 V67 I118 R122E60-Y63 HydrophobicContact CB-CD2 3.67Å; E60-Y63 HydrophobicContact CB-CE2 4.48Å; E60-Y63 HydrophobicContact CG-CD2 4.32Å; E60-Y63 PolarHBondContact O-N 2.99Å; E60-Y63 VanDerWaalsContact OE2-CE2 3.27Å; E60-Y63 WeakPolarHBondContact OE2-CE2 3.5Å; Q61-Y63 PolarHBondContact O-N 2.97Å; Y63-A66 WeakPolarHBondContact O-CB 3.47Å; Y63-A66 PolarHBondContact O-N 3.1Å; Y63-V67 WeakPolarHBondContact O-CG2 3.31Å; Y63-V67 PolarHBondContact O-N 3.43Å; Y63-I118 HydrophobicContact CD1-CG2 3.75Å; Y63-I118 HydrophobicContact CG-CG2 4.2Å; Y63-R122 HydrophobicContact CD1-CG 3.91Å; Y63-R122 HydrophobicContact CD2-CG 4.06Å; Y63-R122 HydrophobicContact CE1-CG 4.19Å; Y63-R122 HydrophobicContact CE2-CG 4.35Å; Y63-R122 HydrophobicContact CG-CB 4.41Å; Y63-R122 HydrophobicContact CG-CG 3.84Å; Y63-R122 VanDerWaalsContact CZ-CZ 3.46Å; Y63-R122 VanDerWaalsContact OH-CZ 3.23Å; Y63-R122 PolarHBondContact OH-NH1 3.36Å; Y63-R122 PolarHBondContact OH-NH2 2.8Å
64L97.2Very high96.3Very high20 Ų2061.3 Ų61.311%0.10534%0.341CS..Hα-helixtrans-65.4-46.3178.8176.161.4000110.7L55 Y59 E60 Q61 A66 V67 Q68 F123L55-L64 HydrophobicContact CB-CD2 4.45Å; L55-L64 HydrophobicContact CD1-CD1 3.75Å; L55-L64 HydrophobicContact CD1-CD2 3.63Å; L55-L64 HydrophobicContact CD1-CG 4.27Å; Y59-L64 HydrophobicContact CD2-CD1 4.36Å; Y59-L64 HydrophobicContact CD2-CD2 4.35Å; E60-L64 PolarHBondContact O-N 2.98Å; Q61-L64 PolarHBondContact O-N 3.41Å; L64-A66 VanDerWaalsContact C-N 3.28Å; L64-A66 PolarHBondContact O-N 2.92Å; L64-V67 PolarHBondContact O-N 2.84Å; L64-Q68 HydrophobicContact CD1-CG 4.31Å; L64-Q68 WeakPolarHBondContact O-CG 3.47Å; L64-Q68 PolarHBondContact O-N 3.16Å; L64-F123 HydrophobicContact CB-CE1 4.25Å; L64-F123 HydrophobicContact CB-CZ 3.91Å
65Q97.8Very high96.5Very high116 Ų11654.8 Ų54.854%0.54231%0.307SS..Hα-helixtrans-61.7-38.1175.2-72.4-179.32.700111.5Q61 Q68 A69Q61-Q65 WeakPolarHBondContact O-CB 3.29Å; Q61-Q65 WeakPolarHBondContact O-CG 3.43Å; Q61-Q65 PolarHBondContact O-N 3.23Å; Q65-Q68 PolarHBondContact O-N 3.03Å; Q65-A69 VanDerWaalsContact O-CB 3.23Å; Q65-A69 WeakPolarHBondContact O-CB 3.34Å; Q65-A69 PolarHBondContact O-N 2.91Å
66A98.3Very high96.6Very high33 Ų3357.5 Ų57.527%0.27332%0.321SS..Hα-helixtrans-61.5-46.5173.800000111.6D62 Y63 L64 T70 I118D62-A66 WeakPolarHBondContact O-CB 3.35Å; D62-A66 PolarHBondContact O-N 3.42Å; Y63-A66 WeakPolarHBondContact O-CB 3.47Å; Y63-A66 PolarHBondContact O-N 3.1Å; L64-A66 VanDerWaalsContact C-N 3.28Å; L64-A66 PolarHBondContact O-N 2.92Å; A66-T70 VanDerWaalsContact O-CB 3.31Å; A66-T70 WeakPolarHBondContact O-CB 3.33Å; A66-T70 VanDerWaalsContact O-CG2 3.23Å; A66-T70 WeakPolarHBondContact O-CG2 3.36Å; A66-T70 PolarHBondContact O-N 3.41Å; A66-T70 PolarHBondContact O-OG1 3.37Å; A66-I118 HydrophobicContact CB-CD1 4.04Å
67V98.4Very high97Very high0 Ų058.4 Ų58.40%032%0.323CS..Hα-helixtrans-59.6-49.7175.8173.10000110.6W27 V39 Y63 L64 A69 T70 T71 A115 I118 Y119 F123W27-V67 HydrophobicContact CH2-CG1 4.33Å; W27-V67 HydrophobicContact CZ3-CG1 4.13Å; V39-V67 HydrophobicContact CG1-CG1 3.85Å; Y63-V67 WeakPolarHBondContact O-CG2 3.31Å; Y63-V67 PolarHBondContact O-N 3.43Å; L64-V67 PolarHBondContact O-N 2.84Å; V67-A69 PolarHBondContact O-N 2.89Å; V67-T70 PolarHBondContact O-N 3.32Å; V67-T70 PolarHBondContact O-OG1 3.44Å; V67-T71 HydrophobicContact CG1-CG2 4.42Å; V67-T71 WeakPolarHBondContact O-CG2 2.99Å; V67-T71 PolarHBondContact O-N 2.88Å; V67-T71 PolarHBondContact O-OG1 3.46Å; V67-A115 HydrophobicContact CG1-CB 4.33Å; V67-I118 HydrophobicContact CG2-CB 3.93Å; V67-I118 HydrophobicContact CG2-CG2 3.69Å; V67-Y119 HydrophobicContact CG1-CD2 4.26Å; V67-F123 HydrophobicContact CG2-CE2 4.23Å
68Q98.4Very high97.4Very high42 Ų4252.1 Ų52.120%0.19628%0.278CS..Hα-helixtrans-60.5-47179.7-72.5172.4-22.300112.8V39 W40 L64 Q65 T71 V72V39-Q68 HydrophobicContact CB-CG 4.46Å; V39-Q68 VanDerWaalsContact O-CG 3.27Å; V39-Q68 WeakPolarHBondContact O-CG 3.31Å; V39-Q68 PolarHBondContact O-NE2 3.43Å; W40-Q68 HydrophobicContact CE3-CG 4.02Å; W40-Q68 HydrophobicContact CH2-CB 3.96Å; W40-Q68 HydrophobicContact CH2-CG 4.22Å; W40-Q68 HydrophobicContact CZ3-CB 3.76Å; W40-Q68 HydrophobicContact CZ3-CG 3.69Å; L64-Q68 HydrophobicContact CD1-CG 4.31Å; L64-Q68 WeakPolarHBondContact O-CG 3.47Å; L64-Q68 PolarHBondContact O-N 3.16Å; Q65-Q68 PolarHBondContact O-N 3.03Å; Q68-T71 PolarHBondContact O-OG1 3.06Å; Q68-V72 WeakPolarHBondContact O-CG2 3.23Å; Q68-V72 PolarHBondContact O-N 3.36Å
69A98.6Very high97.8Very high51 Ų5150.5 Ų50.542%0.42126%0.262SS..Hα-helixtrans-65.2-42.7179.600000111Q65 V67 V72 L73Q65-A69 VanDerWaalsContact O-CB 3.23Å; Q65-A69 WeakPolarHBondContact O-CB 3.34Å; Q65-A69 PolarHBondContact O-N 2.91Å; V67-A69 PolarHBondContact O-N 2.89Å; A69-V72 PolarHBondContact O-N 3.5Å; A69-L73 WeakPolarHBondContact O-CB 3.48Å; A69-L73 VanDerWaalsContact O-CG 3.23Å; A69-L73 WeakPolarHBondContact O-CG 3.36Å; A69-L73 PolarHBondContact O-N 2.93Å
70T98.7Very high98Very high16 Ų1652.6 Ų52.610%0.09827%0.274CS..Hα-helixtrans-73.9-33.8-176.855.10000112.9A66 V67 L73 A74 F111 I114 A115A66-T70 VanDerWaalsContact O-CB 3.31Å; A66-T70 WeakPolarHBondContact O-CB 3.33Å; A66-T70 VanDerWaalsContact O-CG2 3.23Å; A66-T70 WeakPolarHBondContact O-CG2 3.36Å; A66-T70 PolarHBondContact O-N 3.41Å; A66-T70 PolarHBondContact O-OG1 3.37Å; V67-T70 PolarHBondContact O-N 3.32Å; V67-T70 PolarHBondContact O-OG1 3.44Å; T70-L73 PolarHBondContact O-N 3.4Å; T70-A74 WeakPolarHBondContact O-CB 3.4Å; T70-A74 PolarHBondContact O-N 3.42Å; T70-F111 WeakPolarHBondContact CB-O 3.34Å; T70-F111 HydrophobicContact CG2-CD1 3.94Å; T70-F111 WeakPolarHBondContact O-CB 2.95Å; T70-I114 HydrophobicContact CG2-CG2 4.12Å; T70-A115 VanDerWaalsContact OG1-CB 3.31Å; T70-A115 WeakPolarHBondContact OG1-CB 3.46Å
71T98.5Very high98.2Very high0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-62.2-43.6170.552.60000111.8W27 V67 Q68 A74 C75 I112 A115W27-T71 HydrophobicContact CH2-CG2 3.68Å; W27-T71 HydrophobicContact CZ2-CG2 3.74Å; V67-T71 HydrophobicContact CG1-CG2 4.42Å; V67-T71 WeakPolarHBondContact O-CG2 2.99Å; V67-T71 PolarHBondContact O-N 2.88Å; V67-T71 PolarHBondContact O-OG1 3.46Å; Q68-T71 PolarHBondContact O-OG1 3.06Å; T71-A74 WeakPolarHBondContact O-CB 3.21Å; T71-A74 PolarHBondContact O-N 3.16Å; T71-C75 PolarHBondContact O-N 3.29Å; T71-I112 HydrophobicContact CG2-CD1 4.28Å; T71-A115 HydrophobicContact CG2-CB 3.64Å
72V98.8Very high98.4Very high56 Ų5642.7 Ų42.734%0.33923%0.228SC..Hα-helixtrans-64.3-46.6176.4172.30000111.7T22 W40 Q68 A69 A74 C75 I76T22-V72 HydrophobicContact CG2-CG2 4.46Å; W40-V72 HydrophobicContact CH2-CG2 3.7Å; W40-V72 HydrophobicContact CZ2-CG2 3.87Å; Q68-V72 WeakPolarHBondContact O-CG2 3.23Å; Q68-V72 PolarHBondContact O-N 3.36Å; A69-V72 PolarHBondContact O-N 3.5Å; V72-A74 VanDerWaalsContact C-N 3.27Å; V72-A74 PolarHBondContact O-N 3.48Å; V72-C75 WeakPolarHBondContact O-CB 3.29Å; V72-C75 PolarHBondContact O-N 2.93Å; V72-I76 HydrophobicContact CG1-CD1 3.76Å; V72-I76 HydrophobicContact CG1-CG1 4.41Å; V72-I76 WeakPolarHBondContact O-CG1 3.37Å; V72-I76 PolarHBondContact O-N 3.45Å
73L98.8Very high98.4Very high60 Ų6043 Ų4331%0.31422%0.224SC..Hα-helixtrans-60.3-38.8176.9-72.6173.8000111.3A69 T70 C75 I76 F77 F111A69-L73 WeakPolarHBondContact O-CB 3.48Å; A69-L73 VanDerWaalsContact O-CG 3.23Å; A69-L73 WeakPolarHBondContact O-CG 3.36Å; A69-L73 PolarHBondContact O-N 2.93Å; T70-L73 PolarHBondContact O-N 3.4Å; L73-C75 PolarHBondContact O-N 3.16Å; L73-I76 PolarHBondContact O-N 2.9Å; L73-F77 HydrophobicContact CB-CD2 4.25Å; L73-F77 HydrophobicContact CD2-CD2 4.5Å; L73-F77 HydrophobicContact CD2-CE2 4.11Å; L73-F77 WeakPolarHBondContact O-CB 3.23Å; L73-F77 VanDerWaalsContact O-CD2 3.25Å; L73-F77 WeakPolarHBondContact O-CD2 3.47Å; L73-F77 PolarHBondContact O-N 3.22Å; L73-F111 HydrophobicContact CB-CB 4.41Å; L73-F111 HydrophobicContact CB-CD1 4.18Å; L73-F111 HydrophobicContact CB-CD2 3.74Å; L73-F111 HydrophobicContact CB-CE1 4.4Å; L73-F111 HydrophobicContact CB-CE2 4.02Å; L73-F111 HydrophobicContact CB-CG 3.86Å; L73-F111 HydrophobicContact CB-CZ 4.33Å; L73-F111 HydrophobicContact CD1-CD1 4.13Å; L73-F111 HydrophobicContact CD1-CE1 3.74Å; L73-F111 HydrophobicContact CD1-CE2 4.41Å; L73-F111 HydrophobicContact CD1-CZ 3.9Å
74A98.8Very high98.4Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-58.4-46.2175.900000112.2L18 T70 T71 V72 S78 A108 F111 I112L18-A74 HydrophobicContact CD2-CB 4.01Å; T70-A74 WeakPolarHBondContact O-CB 3.4Å; T70-A74 PolarHBondContact O-N 3.42Å; T71-A74 WeakPolarHBondContact O-CB 3.21Å; T71-A74 PolarHBondContact O-N 3.16Å; V72-A74 VanDerWaalsContact C-N 3.27Å; V72-A74 PolarHBondContact O-N 3.48Å; A74-S78 WeakPolarHBondContact O-CB 3.49Å; A74-S78 PolarHBondContact O-N 3.05Å; A74-A108 WeakPolarHBondContact CB-O 3.49Å; A74-A108 WeakPolarHBondContact O-CB 3.27Å; A74-F111 HydrophobicContact CB-CB 3.92Å; A74-I112 HydrophobicContact CB-CB 3.89Å
75C98.8Very high98.4Very high11 Ų1140 Ų407%0.07421%0.213CC..Hα-helixtrans-59.7-50.3174.8-67.70000111.9L19 T22 T71 V72 L73 F77 S78 I79L19-C75 HydrophobicContact CD2-CB 4.25Å; T22-C75 PolarHBondContact OG1-SG 2.83Å; T71-C75 PolarHBondContact O-N 3.29Å; V72-C75 WeakPolarHBondContact O-CB 3.29Å; V72-C75 PolarHBondContact O-N 2.93Å; L73-C75 PolarHBondContact O-N 3.16Å; C75-F77 PolarHBondContact O-N 3.34Å; C75-S78 PolarHBondContact O-N 3.35Å; C75-I79 WeakPolarHBondContact O-CB 3.12Å; C75-I79 WeakPolarHBondContact O-CD1 3.27Å; C75-I79 VanDerWaalsContact O-CG1 3.28Å; C75-I79 WeakPolarHBondContact O-CG1 3.39Å; C75-I79 PolarHBondContact O-N 2.76Å
76I98.8Very high98.3Very high82 Ų8238 Ų3842%0.42121%0.206SC..Hα-helixtrans-59.3-50.9-178-68.5170.1000110.6V72 L73 S78 I79 I80V72-I76 HydrophobicContact CG1-CD1 3.76Å; V72-I76 HydrophobicContact CG1-CG1 4.41Å; V72-I76 WeakPolarHBondContact O-CG1 3.37Å; V72-I76 PolarHBondContact O-N 3.45Å; L73-I76 PolarHBondContact O-N 2.9Å; I76-S78 PolarHBondContact O-N 3.06Å; I76-I79 PolarHBondContact O-N 3.28Å; I76-I80 HydrophobicContact CG2-CD1 3.71Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CG1 3.38Å; I76-I80 PolarHBondContact O-N 2.92Å
77F98.8Very high98.2Very high43 Ų4338.8 Ų38.819%0.18921%0.213CC..Hα-helixtrans-66-37.2-176.9-85.1-70.3000112.6L73 C75 I80 A81 F104 L107 A108 F111L73-F77 HydrophobicContact CB-CD2 4.25Å; L73-F77 HydrophobicContact CD2-CD2 4.5Å; L73-F77 HydrophobicContact CD2-CE2 4.11Å; L73-F77 WeakPolarHBondContact O-CB 3.23Å; L73-F77 VanDerWaalsContact O-CD2 3.25Å; L73-F77 WeakPolarHBondContact O-CD2 3.47Å; L73-F77 PolarHBondContact O-N 3.22Å; C75-F77 PolarHBondContact O-N 3.34Å; F77-I80 PolarHBondContact O-N 2.92Å; F77-A81 VanDerWaalsContact O-CB 3.31Å; F77-A81 WeakPolarHBondContact O-CB 3.45Å; F77-A81 PolarHBondContact O-N 3.04Å; F77-F104 AromaticContact CD1-CD1 3.55Å; F77-F104 HydrophobicContact CD1-CD1 3.55Å; F77-F104 HydrophobicContact CD1-CE1 4.2Å; F77-F104 HydrophobicContact CD1-CG 4.49Å; F77-F104 AromaticContact CE1-CD1 3.72Å; F77-F104 HydrophobicContact CE1-CD1 3.72Å; F77-F104 AromaticContact CE1-CE1 3.95Å; F77-F104 HydrophobicContact CE1-CE1 3.95Å; F77-L107 HydrophobicContact CB-CB 4.42Å; F77-L107 HydrophobicContact CD1-CB 4.11Å; F77-L107 HydrophobicContact CD1-CD1 3.98Å; F77-L107 HydrophobicContact CE1-CB 4.48Å; F77-L107 HydrophobicContact CE1-CD1 3.66Å; F77-L107 HydrophobicContact CG-CB 4.11Å; F77-L107 HydrophobicContact CZ-CD1 4.18Å; F77-A108 HydrophobicContact CB-CB 3.93Å; F77-F111 AromaticContact CD2-CD2 3.7Å; F77-F111 HydrophobicContact CD2-CD2 3.7Å; F77-F111 AromaticContact CD2-CE2 3.32Å; F77-F111 HydrophobicContact CD2-CE2 3.32Å; F77-F111 HydrophobicContact CD2-CZ 4.4Å; F77-F111 HydrophobicContact CE2-CD2 4.18Å; F77-F111 AromaticContact CE2-CE2 3.34Å; F77-F111 HydrophobicContact CE2-CE2 3.34Å; F77-F111 HydrophobicContact CE2-CZ 4.05Å; F77-F111 HydrophobicContact CG-CE2 4.27Å; F77-F111 HydrophobicContact CZ-CE2 4.29Å
78S98.7Very high98Very high0 Ų039.3 Ų39.30%022%0.215CC..Hα-helixtrans-68.1-39.9175.5-165.20000111.3H11 I15 A74 C75 I76 A81 L82 Q105H11-S78 PolarHBondContact CD2-OG 3.14Å; H11-S78 PolarHBondContact NE2-O 3.39Å; H11-S78 PolarHBondContact NE2-OG 3.02Å; H11-S78 VanDerWaalsContact NE2-OG 3.16Å; I15-S78 VanDerWaalsContact CG1-OG 3.28Å; I15-S78 WeakPolarHBondContact CG1-OG 3.23Å; A74-S78 WeakPolarHBondContact O-CB 3.49Å; A74-S78 PolarHBondContact O-N 3.05Å; C75-S78 PolarHBondContact O-N 3.35Å; I76-S78 PolarHBondContact O-N 3.06Å; S78-A81 WeakPolarHBondContact O-CB 3.28Å; S78-A81 PolarHBondContact O-N 3.47Å; S78-L82 PolarHBondContact O-N 3.47Å; S78-Q105 PolarHBondContact OG-NE2 3.14Å; S78-Q105 PolarHBondContact OG-OE1 3.23Å
79I98.8Very high97.7Very high61 Ų6139.7 Ų39.731%0.31322%0.218SC..Hα-helixtrans-63.1-45.1175.6-69.8166.1000111I15 C75 I76 A81 L82 F83I15-I79 HydrophobicContact CD1-CG1 4.39Å; I15-I79 HydrophobicContact CG1-CG1 4.49Å; I15-I79 HydrophobicContact CG2-CD1 4.5Å; I15-I79 HydrophobicContact CG2-CG1 3.95Å; C75-I79 WeakPolarHBondContact O-CB 3.12Å; C75-I79 WeakPolarHBondContact O-CD1 3.27Å; C75-I79 VanDerWaalsContact O-CG1 3.28Å; C75-I79 WeakPolarHBondContact O-CG1 3.39Å; C75-I79 PolarHBondContact O-N 2.76Å; I76-I79 PolarHBondContact O-N 3.28Å; I79-A81 VanDerWaalsContact C-N 3.33Å; I79-A81 PolarHBondContact O-N 3.14Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.93Å; I79-F83 HydrophobicContact CG2-CD2 3.84Å; I79-F83 HydrophobicContact CG2-CE2 3.53Å; I79-F83 VanDerWaalsContact O-CD2 3.22Å; I79-F83 WeakPolarHBondContact O-CD2 3.41Å; I79-F83 PolarHBondContact O-N 3.48Å; I79-F83 VanDerWaalsContact O-N 3.14Å
80I98.7Very high97.4Very high63 Ų6345.3 Ų45.332%0.32323%0.233SC..Hα-helixtrans-59.8-45174.9-68.7171000110.4I76 F77 L82 F83 V84 F104I76-I80 HydrophobicContact CG2-CD1 3.71Å; I76-I80 HydrophobicContact CG2-CG1 4.42Å; I76-I80 WeakPolarHBondContact O-CG1 3.38Å; I76-I80 PolarHBondContact O-N 2.92Å; F77-I80 PolarHBondContact O-N 2.92Å; I80-L82 VanDerWaalsContact C-N 3.25Å; I80-L82 PolarHBondContact O-N 3.27Å; I80-F83 PolarHBondContact O-N 3Å; I80-F83 VanDerWaalsContact O-N 3.17Å; I80-V84 HydrophobicContact CG2-CG2 4.12Å; I80-V84 WeakPolarHBondContact O-CG2 3.48Å; I80-V84 PolarHBondContact O-N 3.24Å; I80-F104 HydrophobicContact CG2-CD1 4.22Å; I80-F104 HydrophobicContact CG2-CD2 3.95Å; I80-F104 HydrophobicContact CG2-CE1 4.23Å; I80-F104 HydrophobicContact CG2-CE2 3.99Å; I80-F104 HydrophobicContact CG2-CG 4.05Å; I80-F104 HydrophobicContact CG2-CZ 4.11Å
81A98.4Very high97.1Very high0 Ų049.6 Ų49.60%026%0.26CS..Hα-helixtrans-56.9-39.4178.400000112.2F77 S78 I79 F85 S101 F104 Q105F77-A81 VanDerWaalsContact O-CB 3.31Å; F77-A81 WeakPolarHBondContact O-CB 3.45Å; F77-A81 PolarHBondContact O-N 3.04Å; S78-A81 WeakPolarHBondContact O-CB 3.28Å; S78-A81 PolarHBondContact O-N 3.47Å; I79-A81 VanDerWaalsContact C-N 3.33Å; I79-A81 PolarHBondContact O-N 3.14Å; A81-F85 VanDerWaalsContact O-CB 3.28Å; A81-F85 WeakPolarHBondContact O-CB 3.4Å; A81-F85 PolarHBondContact O-N 3.46Å; A81-S101 PolarHBondContact O-OG 3.4Å; A81-S101 VanDerWaalsContact O-OG 3.09Å; A81-F104 HydrophobicContact CB-CB 3.61Å; A81-Q105 HydrophobicContact CB-CB 4.15Å
82L98.1Very high96.8Very high34 Ų3450.9 Ų50.918%0.17827%0.266CS..Hα-helixtrans-65.7-46.2176.3-179.264.9000111.8H11 I12 I15 S78 I79 I80 F85 I86H11-L82 PolarHBondContact CE1-N 3.16Å; H11-L82 VanDerWaalsContact CE1-N 3.28Å; I12-L82 HydrophobicContact CG1-CD2 4.31Å; I15-L82 HydrophobicContact CD1-CB 3.94Å; I15-L82 HydrophobicContact CD1-CD2 3.69Å; I15-L82 HydrophobicContact CD1-CG 4.39Å; S78-L82 PolarHBondContact O-N 3.47Å; I79-L82 WeakPolarHBondContact O-CB 3.42Å; I79-L82 PolarHBondContact O-N 2.93Å; I80-L82 VanDerWaalsContact C-N 3.25Å; I80-L82 PolarHBondContact O-N 3.27Å; L82-F85 HydrophobicContact CD1-CD1 4.38Å; L82-F85 WeakPolarHBondContact O-CB 3.48Å; L82-F85 PolarHBondContact O-N 2.93Å; L82-F85 VanDerWaalsContact O-N 3.15Å; L82-I86 HydrophobicContact CD1-CD1 4.47Å; L82-I86 HydrophobicContact CG-CD1 4.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.35Å; L82-I86 PolarHBondContact O-N 3.29Å
83F98.1Very high96.5Very high139 Ų13952.1 Ų52.161%0.6128%0.275SS*.Hα-helixtrans-62.9-43.9177-76.9-64.5000112.1I79 I80 F85 I86 A87I79-F83 HydrophobicContact CG2-CD2 3.84Å; I79-F83 HydrophobicContact CG2-CE2 3.53Å; I79-F83 VanDerWaalsContact O-CD2 3.22Å; I79-F83 WeakPolarHBondContact O-CD2 3.41Å; I79-F83 PolarHBondContact O-N 3.48Å; I79-F83 VanDerWaalsContact O-N 3.14Å; I80-F83 PolarHBondContact O-N 3Å; I80-F83 VanDerWaalsContact O-N 3.17Å; F83-F85 PolarHBondContact O-N 2.92Å; F83-I86 PolarHBondContact O-N 3.44Å; F83-A87 PolarHBondContact O-N 3.34Å
84V97.8Very high96.1Very high31 Ų3157 Ų5719%0.18829%0.294CS..Hα-helixtrans-60.6-37.9174.2174.20000110.5I80 A87 E88 I100 S101 F104I80-V84 HydrophobicContact CG2-CG2 4.12Å; I80-V84 WeakPolarHBondContact O-CG2 3.48Å; I80-V84 PolarHBondContact O-N 3.24Å; V84-A87 WeakPolarHBondContact O-CB 3.41Å; V84-A87 PolarHBondContact O-N 3.44Å; V84-E88 HydrophobicContact CG1-CG 4.27Å; V84-E88 WeakPolarHBondContact O-CB 3.28Å; V84-E88 WeakPolarHBondContact O-CG 3.5Å; V84-E88 PolarHBondContact O-N 3.45Å; V84-I100 HydrophobicContact CG1-CB 3.82Å; V84-I100 HydrophobicContact CG1-CG2 3.68Å; V84-S101 VanDerWaalsContact C-OG 3.28Å; V84-S101 WeakPolarHBondContact CG1-OG 3.24Å; V84-F104 HydrophobicContact CG2-CD2 4Å; V84-F104 HydrophobicContact CG2-CE2 3.91Å
85F96.8Very high95.6Very high1 Ų159 Ų590%0.00432%0.315CS..Hα-helixtrans-66-44.4-179.7168.3-123.3000110.9L4 L7 S8 A81 L82 F83 A87 E88 L89 F98 S101 Y154L4-F85 HydrophobicContact CD2-CE2 4.11Å; L4-F85 HydrophobicContact CD2-CZ 4.02Å; L7-F85 HydrophobicContact CD2-CE2 4.37Å; L7-F85 HydrophobicContact CD2-CZ 4.3Å; S8-F85 WeakPolarHBondContact OG-CE1 3.5Å; A81-F85 VanDerWaalsContact O-CB 3.28Å; A81-F85 WeakPolarHBondContact O-CB 3.4Å; A81-F85 PolarHBondContact O-N 3.46Å; L82-F85 HydrophobicContact CD1-CD1 4.38Å; L82-F85 WeakPolarHBondContact O-CB 3.48Å; L82-F85 PolarHBondContact O-N 2.93Å; L82-F85 VanDerWaalsContact O-N 3.15Å; F83-F85 PolarHBondContact O-N 2.92Å; F85-A87 VanDerWaalsContact C-N 3.29Å; F85-A87 PolarHBondContact O-N 3.25Å; F85-E88 PolarHBondContact O-N 2.68Å; F85-L89 HydrophobicContact CD1-CD1 4.42Å; F85-L89 HydrophobicContact CD2-CG 4.31Å; F85-L89 HydrophobicContact CE1-CD1 3.95Å; F85-L89 HydrophobicContact CE1-CG 4.48Å; F85-L89 HydrophobicContact CE2-CD1 4.27Å; F85-L89 HydrophobicContact CE2-CD2 3.96Å; F85-L89 HydrophobicContact CE2-CG 3.92Å; F85-L89 HydrophobicContact CZ-CD1 3.88Å; F85-L89 HydrophobicContact CZ-CD2 4.05Å; F85-L89 HydrophobicContact CZ-CG 4.03Å; F85-L89 WeakPolarHBondContact O-CG 3.44Å; F85-L89 PolarHBondContact O-N 2.92Å; F85-F98 AromaticContact CD2-CD1 3.58Å; F85-F98 HydrophobicContact CD2-CD1 3.58Å; F85-F98 AromaticContact CD2-CE1 3.88Å; F85-F98 HydrophobicContact CD2-CE1 3.88Å; F85-F98 HydrophobicContact CD2-CG 4.17Å; F85-F98 AromaticContact CE2-CD1 3.74Å; F85-F98 HydrophobicContact CE2-CD1 3.74Å; F85-F98 AromaticContact CE2-CE1 3.66Å; F85-F98 HydrophobicContact CE2-CE1 3.66Å; F85-F98 HydrophobicContact CE2-CE2 4.48Å; F85-F98 HydrophobicContact CE2-CG 4.19Å; F85-F98 HydrophobicContact CE2-CZ 4.06Å; F85-S101 WeakPolarHBondContact CA-OG 3.39Å; F85-S101 VanDerWaalsContact CB-OG 3.25Å; F85-S101 WeakPolarHBondContact CB-OG 3.27Å; F85-S101 PolarHBondContact N-OG 2.97Å; F85-Y154 HydrophobicContact CB-CE1 4.08Å; F85-Y154 HydrophobicContact CD1-CE1 4.21Å; F85-Y154 WeakPolarHBondContact CD1-OH 3.36Å; F85-Y154 HydrophobicContact CD2-CD1 4.18Å; F85-Y154 AromaticContact CD2-CE1 3.33Å; F85-Y154 HydrophobicContact CD2-CE1 3.33Å; F85-Y154 HydrophobicContact CE1-CE1 4.48Å; F85-Y154 HydrophobicContact CE2-CD1 4.49Å; F85-Y154 AromaticContact CE2-CE1 3.68Å; F85-Y154 HydrophobicContact CE2-CE1 3.68Å; F85-Y154 AromaticContact CG-CE1 3.61Å; F85-Y154 HydrophobicContact CG-CE1 3.61Å; F85-Y154 AromaticContact CG-CZ 3.92Å; F85-Y154 WeakPolarHBondContact CG-OH 3.42Å; F85-Y154 HydrophobicContact CZ-CE1 4.24Å
86I95.4Very high95.3Very high76 Ų7666.1 Ų66.139%0.3934%0.34SS..Hα-helixtrans-59.9-42.9174.1-65.2166.3000110.2L82 F83 L89 F90L82-I86 HydrophobicContact CD1-CD1 4.47Å; L82-I86 HydrophobicContact CG-CD1 4.23Å; L82-I86 WeakPolarHBondContact O-CG1 3.35Å; L82-I86 PolarHBondContact O-N 3.29Å; F83-I86 PolarHBondContact O-N 3.44Å; I86-L89 WeakPolarHBondContact O-CB 3.47Å; I86-L89 PolarHBondContact O-N 3.41Å; I86-F90 HydrophobicContact CG2-CD2 4.46Å; I86-F90 HydrophobicContact CG2-CE2 4.04Å; I86-F90 WeakPolarHBondContact O-CD2 3.27Å
87A95.6Very high95.1Very high49 Ų4967.7 Ų67.741%0.40534%0.341SS..Hα-helixtrans-63-44.9175.700000112.2F83 V84 F85 L89 F90 T91F83-A87 PolarHBondContact O-N 3.34Å; V84-A87 WeakPolarHBondContact O-CB 3.41Å; V84-A87 PolarHBondContact O-N 3.44Å; F85-A87 VanDerWaalsContact C-N 3.29Å; F85-A87 PolarHBondContact O-N 3.25Å; A87-L89 VanDerWaalsContact C-N 3.29Å; A87-L89 PolarHBondContact O-N 3.43Å; A87-F90 PolarHBondContact O-N 2.93Å; A87-F90 VanDerWaalsContact O-N 3.17Å; A87-T91 WeakPolarHBondContact O-CB 3.4Å; A87-T91 WeakPolarHBondContact O-CG2 3.36Å; A87-T91 PolarHBondContact O-N 2.89Å; A87-T91 PolarHBondContact O-OG1 3.29Å
88E95.2Very high95Very high10 Ų1065.7 Ų65.75%0.04733%0.332CS..Hα-helixtrans-63.3-32.6177-74.2-176.3143.300111.7V84 F85 F90 L92 F98 I100 S101 K159V84-E88 HydrophobicContact CG1-CG 4.27Å; V84-E88 WeakPolarHBondContact O-CB 3.28Å; V84-E88 WeakPolarHBondContact O-CG 3.5Å; V84-E88 PolarHBondContact O-N 3.45Å; F85-E88 PolarHBondContact O-N 2.68Å; E88-F90 PolarHBondContact O-N 3.44Å; E88-L92 HydrophobicContact CB-CB 4.28Å; E88-L92 WeakPolarHBondContact O-CB 3.22Å; E88-L92 PolarHBondContact O-N 3.05Å; E88-F98 HydrophobicContact CB-CD1 3.69Å; E88-F98 HydrophobicContact CB-CE1 4.07Å; E88-F98 WeakPolarHBondContact OE2-CA 3.22Å; E88-F98 WeakPolarHBondContact OE2-CB 3.5Å; E88-F98 WeakPolarHBondContact OE2-CD1 3.35Å; E88-I100 WeakPolarHBondContact OE1-CB 3.29Å; E88-I100 PolarHBondContact OE1-N 3.2Å; E88-S101 PolarHBondContact OE2-OG 3.12Å; E88-K159 PolarHBondContact O-NZ 3.46Å
89L92.5Very high94.8Very high51 Ų5168.8 Ų68.827%0.26735%0.351SS..Hα-helixtrans-57.4-34.2174.3-78.1174.5000112.6L4 F85 I86 A87 F98 K159L4-L89 HydrophobicContact CD1-CD2 4.36Å; L4-L89 HydrophobicContact CD2-CD2 4.07Å; F85-L89 HydrophobicContact CD1-CD1 4.42Å; F85-L89 HydrophobicContact CD2-CG 4.31Å; F85-L89 HydrophobicContact CE1-CD1 3.95Å; F85-L89 HydrophobicContact CE1-CG 4.48Å; F85-L89 HydrophobicContact CE2-CD1 4.27Å; F85-L89 HydrophobicContact CE2-CD2 3.96Å; F85-L89 HydrophobicContact CE2-CG 3.92Å; F85-L89 HydrophobicContact CZ-CD1 3.88Å; F85-L89 HydrophobicContact CZ-CD2 4.05Å; F85-L89 HydrophobicContact CZ-CG 4.03Å; F85-L89 WeakPolarHBondContact O-CG 3.44Å; F85-L89 PolarHBondContact O-N 2.92Å; I86-L89 WeakPolarHBondContact O-CB 3.47Å; I86-L89 PolarHBondContact O-N 3.41Å; A87-L89 VanDerWaalsContact C-N 3.29Å; A87-L89 PolarHBondContact O-N 3.43Å; L89-F98 HydrophobicContact CD2-CE1 3.96Å; L89-F98 HydrophobicContact CD2-CZ 3.97Å; L89-F98 HydrophobicContact CG-CE1 4.3Å; L89-K159 VanDerWaalsContact O-CE 3.26Å; L89-K159 WeakPolarHBondContact O-CE 3.31Å; L89-K159 PolarHBondContact O-NZ 2.92Å
90F92.1Very high94.7Very high168 Ų16870.6 Ų70.674%0.73736%0.36SS*.Hα-helixtrans-96.8-40.2179.6-61.3-68.7000113I86 A87 E88I86-F90 HydrophobicContact CG2-CD2 4.46Å; I86-F90 HydrophobicContact CG2-CE2 4.04Å; I86-F90 WeakPolarHBondContact O-CD2 3.27Å; A87-F90 PolarHBondContact O-N 2.93Å; A87-F90 VanDerWaalsContact O-N 3.17Å; E88-F90 PolarHBondContact O-N 3.44Å
91T92.1Very high94.7Very high107 Ų10767.6 Ų67.666%0.65635%0.345SS*.Hα-helixtrans-89.9-27.1-170.159.70000114.5A87A87-T91 WeakPolarHBondContact O-CB 3.4Å; A87-T91 WeakPolarHBondContact O-CG2 3.36Å; A87-T91 PolarHBondContact O-N 2.89Å; A87-T91 PolarHBondContact O-OG1 3.29Å
92L92.7Very high94.6Very high27 Ų2767.6 Ų67.614%0.14135%0.345CS..SBendtrans-72.5137.7-170.7-166.472.5000111.7E88 R96 F98 K159E88-L92 HydrophobicContact CB-CB 4.28Å; E88-L92 WeakPolarHBondContact O-CB 3.22Å; E88-L92 PolarHBondContact O-N 3.05Å; L92-R96 HydrophobicContact CD1-CB 3.87Å; L92-R96 HydrophobicContact CD2-CB 3.78Å; L92-R96 HydrophobicContact CG-CB 3.71Å; L92-F98 HydrophobicContact CD2-CD1 4.45Å; L92-K159 HydrophobicContact CB-CD 3.94Å; L92-K159 HydrophobicContact CD2-CB 4.34Å; L92-K159 HydrophobicContact CD2-CD 4.45Å; L92-K159 HydrophobicContact CG-CD 4.49Å; L92-K159 WeakPolarHBondContact O-CD 3.37Å; L92-K159 WeakPolarHBondContact O-CE 3.45Å; L92-K159 PolarHBondContact O-NZ 3.21Å
93P92.2Very high94.7Very high81 Ų8169.4 Ų69.453%0.52636%0.357SS..PPolyproline II helixtrans-66.3152.8172.8-21.332.9000112.6R96P93-R96 HydrophobicContact CB-CG 4.33Å; P93-R96 PolarHBondContact O-N 3.43Å
94K90.1Very high94.7Very high164 Ų16465.4 Ų65.471%0.71334%0.34SS*.THydrogen-bonded Turntrans-57.3143.1173.4-66.9-176.2170-171.10110.9R96 K160K94-R96 VanDerWaalsContact C-N 3.3Å; K94-R96 PolarHBondContact O-N 3.33Å; K94-K160 WeakPolarHBondContact CD-OXT 3.35Å; K94-K160 WeakPolarHBondContact CE-OXT 3.48Å
95G88.4Confident94.7Very high42 Ų4264 Ų6443%0.43333%0.331SS..THydrogen-bonded Turntrans85.5-12.9-178.500000115.2K159G95-K159 WeakPolarHBondContact CA-O 3.39Å; G95-K159 PolarHBondContact N-O 2.98Å
96R93Very high94.8Very high159 Ų15966.6 Ų66.660%0.635%0.347SS*.  trans-84.5160.6176.4-59.4-146.773.8168.91.8112.4L92 P93 K94 R158 K159L92-R96 HydrophobicContact CD1-CB 3.87Å; L92-R96 HydrophobicContact CD2-CB 3.78Å; L92-R96 HydrophobicContact CG-CB 3.71Å; P93-R96 HydrophobicContact CB-CG 4.33Å; P93-R96 PolarHBondContact O-N 3.43Å; K94-R96 VanDerWaalsContact C-N 3.3Å; K94-R96 PolarHBondContact O-N 3.33Å; R96-R158 CarbonylContact O-C 3.53Å; R96-R158 WeakPolarHBondContact O-CA 3.37Å; R96-K159 PolarHBondContact O-N 3.29Å
97R93.8Very high95Very high116 Ų11665.7 Ų65.744%0.43834%0.342SS..BIsolated β-bridgetrans-100.5152.8-178.2-67.6165.3163.7176.14.6111.2T99 F155 L157 R158R97-T99 PolarHBondContact O-N 3.08Å; R97-T99 PolarHBondContact O-OG1 2.95Å; R97-F155 WeakPolarHBondContact CD-O 3.26Å; R97-F155 PolarHBondContact NE-O 2.63Å; R97-L157 WeakPolarHBondContact CA-O 3.47Å; R97-R158 HydrophobicContact CG-CG 3.85Å
98F95.9Very high95.1Very high0 Ų063.3 Ų63.30%032%0.323CS..  trans-77.657.1178.1-61.4-83.7000111.7L4 F85 E88 L89 L92 G102 Y154 L157 K159L4-F98 HydrophobicContact CD2-CE2 3.9Å; L4-F98 HydrophobicContact CD2-CZ 3.88Å; F85-F98 AromaticContact CD2-CD1 3.58Å; F85-F98 HydrophobicContact CD2-CD1 3.58Å; F85-F98 AromaticContact CD2-CE1 3.88Å; F85-F98 HydrophobicContact CD2-CE1 3.88Å; F85-F98 HydrophobicContact CD2-CG 4.17Å; F85-F98 AromaticContact CE2-CD1 3.74Å; F85-F98 HydrophobicContact CE2-CD1 3.74Å; F85-F98 AromaticContact CE2-CE1 3.66Å; F85-F98 HydrophobicContact CE2-CE1 3.66Å; F85-F98 HydrophobicContact CE2-CE2 4.48Å; F85-F98 HydrophobicContact CE2-CG 4.19Å; F85-F98 HydrophobicContact CE2-CZ 4.06Å; E88-F98 HydrophobicContact CB-CD1 3.69Å; E88-F98 HydrophobicContact CB-CE1 4.07Å; E88-F98 WeakPolarHBondContact OE2-CA 3.22Å; E88-F98 WeakPolarHBondContact OE2-CB 3.5Å; E88-F98 WeakPolarHBondContact OE2-CD1 3.35Å; L89-F98 HydrophobicContact CD2-CE1 3.96Å; L89-F98 HydrophobicContact CD2-CZ 3.97Å; L89-F98 HydrophobicContact CG-CE1 4.3Å; L92-F98 HydrophobicContact CD2-CD1 4.45Å; F98-G102 PolarHBondContact O-N 2.91Å; F98-Y154 HydrophobicContact CB-CD1 3.65Å; F98-Y154 HydrophobicContact CB-CE1 4.45Å; F98-Y154 HydrophobicContact CB-CG 4.47Å; F98-Y154 HydrophobicContact CG-CD1 4.31Å; F98-Y154 PolarHBondContact N-O 2.96Å; F98-L157 HydrophobicContact CD2-CB 4.37Å; F98-L157 HydrophobicContact CD2-CD2 4.32Å; F98-L157 HydrophobicContact CD2-CG 4.41Å; F98-L157 HydrophobicContact CE2-CD2 4.02Å; F98-L157 HydrophobicContact CE2-CG 4.19Å; F98-K159 HydrophobicContact CZ-CB 4.29Å
99T95.4Very high95.3Very high66 Ų6663.2 Ų63.241%0.40532%0.323SS..Hα-helixtrans-72.7-37.6-165.4-51.10000111.2R97 G102 V103 F155R97-T99 PolarHBondContact O-N 3.08Å; R97-T99 PolarHBondContact O-OG1 2.95Å; T99-G102 PolarHBondContact O-N 3.06Å; T99-V103 WeakPolarHBondContact O-CG2 3.47Å; T99-V103 PolarHBondContact O-N 2.84Å; T99-F155 HydrophobicContact CG2-CD1 4.16Å; T99-F155 HydrophobicContact CG2-CE1 3.96Å; T99-F155 WeakPolarHBondContact O-CE1 3.35Å
100I97Very high95.6Very high98 Ų9864.3 Ų64.350%0.50333%0.329SS..Hα-helixtrans-71-44.1-176.6-53.2179000109.5V84 E88 G102 V103 F104V84-I100 HydrophobicContact CG1-CB 3.82Å; V84-I100 HydrophobicContact CG1-CG2 3.68Å; E88-I100 WeakPolarHBondContact OE1-CB 3.29Å; E88-I100 PolarHBondContact OE1-N 3.2Å; I100-G102 VanDerWaalsContact C-N 3.31Å; I100-G102 PolarHBondContact O-N 3.21Å; I100-V103 PolarHBondContact O-N 2.86Å; I100-F104 HydrophobicContact CG2-CD2 4.03Å; I100-F104 HydrophobicContact CG2-CE2 3.68Å; I100-F104 WeakPolarHBondContact O-CD2 3.49Å; I100-F104 PolarHBondContact O-N 3.3Å
101S97.6Very high95.9Very high0 Ų058.2 Ų58.20%030%0.302CS..Hα-helixtrans-58.1-43170.4-70.70000112.8A81 V84 F85 E88 V103 F104 Q105A81-S101 PolarHBondContact O-OG 3.4Å; A81-S101 VanDerWaalsContact O-OG 3.09Å; V84-S101 VanDerWaalsContact C-OG 3.28Å; V84-S101 WeakPolarHBondContact CG1-OG 3.24Å; F85-S101 WeakPolarHBondContact CA-OG 3.39Å; F85-S101 VanDerWaalsContact CB-OG 3.25Å; F85-S101 WeakPolarHBondContact CB-OG 3.27Å; F85-S101 PolarHBondContact N-OG 2.97Å; E88-S101 PolarHBondContact OE2-OG 3.12Å; S101-V103 VanDerWaalsContact C-N 3.34Å; S101-V103 PolarHBondContact O-N 3.32Å; S101-F104 PolarHBondContact O-N 3.28Å; S101-Q105 VanDerWaalsContact O-CB 3.31Å; S101-Q105 WeakPolarHBondContact O-CB 3.37Å; S101-Q105 PolarHBondContact O-N 2.9Å
102G97.8Very high96.2Very high0 Ų053.1 Ų53.10%027%0.271CS..Hα-helixtrans-57.5-44.6175.700000112.7F98 T99 I100 Q105 V106 F155F98-G102 PolarHBondContact O-N 2.91Å; T99-G102 PolarHBondContact O-N 3.06Å; I100-G102 VanDerWaalsContact C-N 3.31Å; I100-G102 PolarHBondContact O-N 3.21Å; G102-Q105 PolarHBondContact O-N 3.41Å; G102-V106 WeakPolarHBondContact O-CG2 3.37Å; G102-V106 PolarHBondContact O-N 3.21Å; G102-F155 VanDerWaalsContact C-CZ 3.41Å
103V98.5Very high96.5Very high72 Ų7254.8 Ų54.844%0.43628%0.279SS..Hα-helixtrans-61.4-50.1178.5169.10000111.5T99 I100 S101 Q105 V106 L107 F155T99-V103 WeakPolarHBondContact O-CG2 3.47Å; T99-V103 PolarHBondContact O-N 2.84Å; I100-V103 PolarHBondContact O-N 2.86Å; S101-V103 VanDerWaalsContact C-N 3.34Å; S101-V103 PolarHBondContact O-N 3.32Å; V103-Q105 VanDerWaalsContact C-N 3.26Å; V103-Q105 PolarHBondContact O-N 2.93Å; V103-V106 PolarHBondContact O-N 3.4Å; V103-L107 HydrophobicContact CG1-CD1 4.45Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 2.89Å; V103-F155 HydrophobicContact CG2-CE1 4.11Å; V103-F155 HydrophobicContact CG2-CZ 4.12Å
104F98.6Very high96.8Very high56 Ų5653.8 Ų53.825%0.24627%0.268CS..Hα-helixtrans-63.2-35.1178.2-71.5-57.1000112.1F77 I80 A81 V84 I100 S101 L107 A108F77-F104 AromaticContact CD1-CD1 3.55Å; F77-F104 HydrophobicContact CD1-CD1 3.55Å; F77-F104 HydrophobicContact CD1-CE1 4.2Å; F77-F104 HydrophobicContact CD1-CG 4.49Å; F77-F104 AromaticContact CE1-CD1 3.72Å; F77-F104 HydrophobicContact CE1-CD1 3.72Å; F77-F104 AromaticContact CE1-CE1 3.95Å; F77-F104 HydrophobicContact CE1-CE1 3.95Å; I80-F104 HydrophobicContact CG2-CD1 4.22Å; I80-F104 HydrophobicContact CG2-CD2 3.95Å; I80-F104 HydrophobicContact CG2-CE1 4.23Å; I80-F104 HydrophobicContact CG2-CE2 3.99Å; I80-F104 HydrophobicContact CG2-CG 4.05Å; I80-F104 HydrophobicContact CG2-CZ 4.11Å; A81-F104 HydrophobicContact CB-CB 3.61Å; V84-F104 HydrophobicContact CG2-CD2 4Å; V84-F104 HydrophobicContact CG2-CE2 3.91Å; I100-F104 HydrophobicContact CG2-CD2 4.03Å; I100-F104 HydrophobicContact CG2-CE2 3.68Å; I100-F104 WeakPolarHBondContact O-CD2 3.49Å; I100-F104 PolarHBondContact O-N 3.3Å; S101-F104 PolarHBondContact O-N 3.28Å; F104-L107 HydrophobicContact CD1-CD1 4.31Å; F104-L107 PolarHBondContact O-N 2.95Å; F104-A108 PolarHBondContact O-N 2.88Å
105Q98.5Very high97.2Very high0 Ų046 Ų460%023%0.234CC..Hα-helixtrans-69.9-36.3176.4-16465.44.300113.1H11 S78 A81 S101 G102 V103 L107 A108 C109 S150 Y154H11-Q105 PolarHBondContact CE1-OE1 2.94Å; H11-Q105 PolarHBondContact NE2-OE1 3.27Å; S78-Q105 PolarHBondContact OG-NE2 3.14Å; S78-Q105 PolarHBondContact OG-OE1 3.23Å; A81-Q105 HydrophobicContact CB-CB 4.15Å; S101-Q105 VanDerWaalsContact O-CB 3.31Å; S101-Q105 WeakPolarHBondContact O-CB 3.37Å; S101-Q105 PolarHBondContact O-N 2.9Å; G102-Q105 PolarHBondContact O-N 3.41Å; V103-Q105 VanDerWaalsContact C-N 3.26Å; V103-Q105 PolarHBondContact O-N 2.93Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; Q105-A108 PolarHBondContact O-N 2.95Å; Q105-C109 WeakPolarHBondContact O-CB 3.48Å; Q105-C109 PolarHBondContact O-N 3.33Å; Q105-S150 WeakPolarHBondContact CG-OG 3.32Å; Q105-S150 PolarHBondContact NE2-OG 2.91Å; Q105-Y154 HydrophobicContact CB-CD2 4.15Å; Q105-Y154 HydrophobicContact CB-CE2 4.39Å; Q105-Y154 HydrophobicContact CG-CD2 4.28Å; Q105-Y154 HydrophobicContact CG-CE2 4.29Å
106V98.6Very high97.7Very high57 Ų5744 Ų4435%0.34521%0.214SC..Hα-helixtrans-62.9-42170.4168.70000110.9G102 V103 A108 C109 L110 F155G102-V106 WeakPolarHBondContact O-CG2 3.37Å; G102-V106 PolarHBondContact O-N 3.21Å; V103-V106 PolarHBondContact O-N 3.4Å; V106-A108 VanDerWaalsContact C-N 3.34Å; V106-A108 PolarHBondContact O-N 3.25Å; V106-C109 WeakPolarHBondContact O-CB 3.27Å; V106-C109 PolarHBondContact O-N 2.97Å; V106-L110 WeakPolarHBondContact O-CB 3.46Å; V106-L110 PolarHBondContact O-N 3.33Å; V106-F155 HydrophobicContact CG2-CE2 3.58Å; V106-F155 HydrophobicContact CG2-CZ 4.07Å
107L98.7Very high97.9Very high56 Ų5638.9 Ų38.929%0.29320%0.203SC..Hα-helixtrans-61-45.2176.9-70.3173.8000111F77 V103 F104 Q105 C109 L110 F111F77-L107 HydrophobicContact CB-CB 4.42Å; F77-L107 HydrophobicContact CD1-CB 4.11Å; F77-L107 HydrophobicContact CD1-CD1 3.98Å; F77-L107 HydrophobicContact CE1-CB 4.48Å; F77-L107 HydrophobicContact CE1-CD1 3.66Å; F77-L107 HydrophobicContact CG-CB 4.11Å; F77-L107 HydrophobicContact CZ-CD1 4.18Å; V103-L107 HydrophobicContact CG1-CD1 4.45Å; V103-L107 WeakPolarHBondContact O-CG 3.46Å; V103-L107 PolarHBondContact O-N 2.89Å; F104-L107 HydrophobicContact CD1-CD1 4.31Å; F104-L107 PolarHBondContact O-N 2.95Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; L107-C109 VanDerWaalsContact C-N 3.33Å; L107-C109 PolarHBondContact O-N 3.37Å; L107-L110 PolarHBondContact O-N 3.36Å; L107-F111 HydrophobicContact CB-CD2 4.49Å; L107-F111 HydrophobicContact CB-CE2 4.16Å; L107-F111 WeakPolarHBondContact O-CD2 3.34Å; L107-F111 WeakPolarHBondContact O-CG 3.38Å; L107-F111 PolarHBondContact O-N 2.92Å
108A98.8Very high98.1Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-58-45.3174.800000112.5A74 F77 F104 Q105 V106 F111 I112A74-A108 WeakPolarHBondContact CB-O 3.49Å; A74-A108 WeakPolarHBondContact O-CB 3.27Å; F77-A108 HydrophobicContact CB-CB 3.93Å; F104-A108 PolarHBondContact O-N 2.88Å; Q105-A108 PolarHBondContact O-N 2.95Å; V106-A108 VanDerWaalsContact C-N 3.34Å; V106-A108 PolarHBondContact O-N 3.25Å; A108-F111 PolarHBondContact O-N 2.97Å; A108-I112 PolarHBondContact O-N 3.38Å; A108-I112 VanDerWaalsContact O-N 3.14Å
109C98.8Very high98.1Very high7 Ų735 Ų355%0.04719%0.19CC..Hα-helixtrans-58-46.5175.31750000112.3Q105 V106 L107 I112 M113 F144 T147Q105-C109 WeakPolarHBondContact O-CB 3.48Å; Q105-C109 PolarHBondContact O-N 3.33Å; V106-C109 WeakPolarHBondContact O-CB 3.27Å; V106-C109 PolarHBondContact O-N 2.97Å; L107-C109 VanDerWaalsContact C-N 3.33Å; L107-C109 PolarHBondContact O-N 3.37Å; C109-I112 WeakPolarHBondContact O-CG2 3.28Å; C109-M113 WeakPolarHBondContact O-CB 3.45Å; C109-M113 PolarHBondContact O-N 3.12Å; C109-M113 VanDerWaalsContact O-N 3.11Å; C109-F144 WeakPolarHBondContact SG-CD2 3.38Å; C109-F144 VanDerWaalsContact SG-CE2 3.54Å; C109-T147 WeakPolarHBondContact CA-OG1 3.39Å; C109-T147 WeakPolarHBondContact CB-OG1 3.36Å
110L98.7Very high98.1Very high74 Ų7434.3 Ų34.339%0.38719%0.186SC..Hα-helixtrans-62.3-45.5178.7179.560.8000111.5V106 L107 M113 I114V106-L110 WeakPolarHBondContact O-CB 3.46Å; V106-L110 PolarHBondContact O-N 3.33Å; L107-L110 PolarHBondContact O-N 3.36Å; L110-M113 HydrophobicContact CD1-CE 3.53Å; L110-M113 PolarHBondContact O-N 3.4Å; L110-I114 HydrophobicContact CD1-CD1 3.89Å; L110-I114 HydrophobicContact CD1-CG1 4.21Å; L110-I114 HydrophobicContact CG-CD1 3.8Å; L110-I114 VanDerWaalsContact O-CG1 3.26Å; L110-I114 WeakPolarHBondContact O-CG1 3.2Å; L110-I114 PolarHBondContact O-N 2.96Å
111F98.8Very high97.9Very high40 Ų4034.2 Ų34.218%0.17519%0.187CC..Hα-helixtrans-64-45.3-178.3-72.7-54.1000112.9T70 L73 A74 F77 L107 A108 M113 I114 A115T70-F111 WeakPolarHBondContact CB-O 3.34Å; T70-F111 HydrophobicContact CG2-CD1 3.94Å; T70-F111 WeakPolarHBondContact O-CB 2.95Å; L73-F111 HydrophobicContact CB-CB 4.41Å; L73-F111 HydrophobicContact CB-CD1 4.18Å; L73-F111 HydrophobicContact CB-CD2 3.74Å; L73-F111 HydrophobicContact CB-CE1 4.4Å; L73-F111 HydrophobicContact CB-CE2 4.02Å; L73-F111 HydrophobicContact CB-CG 3.86Å; L73-F111 HydrophobicContact CB-CZ 4.33Å; L73-F111 HydrophobicContact CD1-CD1 4.13Å; L73-F111 HydrophobicContact CD1-CE1 3.74Å; L73-F111 HydrophobicContact CD1-CE2 4.41Å; L73-F111 HydrophobicContact CD1-CZ 3.9Å; A74-F111 HydrophobicContact CB-CB 3.92Å; F77-F111 AromaticContact CD2-CD2 3.7Å; F77-F111 HydrophobicContact CD2-CD2 3.7Å; F77-F111 AromaticContact CD2-CE2 3.32Å; F77-F111 HydrophobicContact CD2-CE2 3.32Å; F77-F111 HydrophobicContact CD2-CZ 4.4Å; F77-F111 HydrophobicContact CE2-CD2 4.18Å; F77-F111 AromaticContact CE2-CE2 3.34Å; F77-F111 HydrophobicContact CE2-CE2 3.34Å; F77-F111 HydrophobicContact CE2-CZ 4.05Å; F77-F111 HydrophobicContact CG-CE2 4.27Å; F77-F111 HydrophobicContact CZ-CE2 4.29Å; L107-F111 HydrophobicContact CB-CD2 4.49Å; L107-F111 HydrophobicContact CB-CE2 4.16Å; L107-F111 WeakPolarHBondContact O-CD2 3.34Å; L107-F111 WeakPolarHBondContact O-CG 3.38Å; L107-F111 PolarHBondContact O-N 2.92Å; A108-F111 PolarHBondContact O-N 2.97Å; F111-M113 VanDerWaalsContact C-N 3.33Å; F111-M113 PolarHBondContact O-N 3.43Å; F111-I114 PolarHBondContact O-N 3.19Å; F111-A115 PolarHBondContact O-N 2.88Å
112I98.8Very high97.8Very high0 Ų038.7 Ų38.70%020%0.203CC..Hα-helixtrans-67.7-35.3178.4-168.463.5000112.1L18 T71 A74 A108 C109 A115 A116 A140 F144L18-I112 HydrophobicContact CD2-CB 3.75Å; L18-I112 HydrophobicContact CD2-CD1 3.88Å; L18-I112 HydrophobicContact CD2-CG1 3.62Å; L18-I112 HydrophobicContact CD2-CG2 4.08Å; T71-I112 HydrophobicContact CG2-CD1 4.28Å; A74-I112 HydrophobicContact CB-CB 3.89Å; A108-I112 PolarHBondContact O-N 3.38Å; A108-I112 VanDerWaalsContact O-N 3.14Å; C109-I112 WeakPolarHBondContact O-CG2 3.28Å; I112-A115 PolarHBondContact O-N 2.9Å; I112-A116 WeakPolarHBondContact O-CB 3.31Å; I112-A116 PolarHBondContact O-N 3.22Å; I112-A140 HydrophobicContact CD1-CB 3.84Å; I112-A140 HydrophobicContact CG1-CB 4.1Å; I112-F144 HydrophobicContact CG2-CB 3.97Å
113M98.6Very high97.6Very high62 Ų6239 Ų3931%0.30520%0.204SC..Hα-helixtrans-63.2-43.3174.4179.6-179.851.500111.3C109 L110 F111 S117 W141 F144C109-M113 WeakPolarHBondContact O-CB 3.45Å; C109-M113 PolarHBondContact O-N 3.12Å; C109-M113 VanDerWaalsContact O-N 3.11Å; L110-M113 HydrophobicContact CD1-CE 3.53Å; L110-M113 PolarHBondContact O-N 3.4Å; F111-M113 VanDerWaalsContact C-N 3.33Å; F111-M113 PolarHBondContact O-N 3.43Å; M113-S117 VanDerWaalsContact O-CB 3.22Å; M113-S117 WeakPolarHBondContact O-CB 3.43Å; M113-S117 PolarHBondContact O-N 3.25Å; M113-S117 PolarHBondContact O-OG 2.97Å; M113-W141 HydrophobicContact CG-CZ3 4.48Å; M113-F144 HydrophobicContact CB-CD2 3.73Å; M113-F144 HydrophobicContact CB-CE2 3.98Å; M113-F144 HydrophobicContact CB-CG 4.46Å; M113-F144 HydrophobicContact CG-CD2 4.24Å; M113-F144 HydrophobicContact CG-CE2 4.08Å; M113-F144 HydrophobicContact SD-CD2 4.39Å; M113-F144 HydrophobicContact SD-CE2 3.66Å; M113-F144 HydrophobicContact SD-CZ 4.02Å
114I98.6Very high97.1Very high60 Ų6036 Ų3631%0.30819%0.186SC..Hα-helixtrans-61.5-49.3175.9-70.5166.4000110.1T70 L110 F111 A116 S117 I118T70-I114 HydrophobicContact CG2-CG2 4.12Å; L110-I114 HydrophobicContact CD1-CD1 3.89Å; L110-I114 HydrophobicContact CD1-CG1 4.21Å; L110-I114 HydrophobicContact CG-CD1 3.8Å; L110-I114 VanDerWaalsContact O-CG1 3.26Å; L110-I114 WeakPolarHBondContact O-CG1 3.2Å; L110-I114 PolarHBondContact O-N 2.96Å; F111-I114 PolarHBondContact O-N 3.19Å; I114-A116 PolarHBondContact O-N 3.4Å; I114-S117 PolarHBondContact O-N 2.98Å; I114-I118 HydrophobicContact CG2-CD1 3.61Å; I114-I118 HydrophobicContact CG2-CG1 4.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.33Å; I114-I118 PolarHBondContact O-N 3.02Å
115A98.5Very high96.4Very high0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-54.3-53.7178.100000111.8W27 V67 T70 T71 F111 I112 S117 Y119W27-A115 HydrophobicContact CH2-CB 4.44Å; V67-A115 HydrophobicContact CG1-CB 4.33Å; T70-A115 VanDerWaalsContact OG1-CB 3.31Å; T70-A115 WeakPolarHBondContact OG1-CB 3.46Å; T71-A115 HydrophobicContact CG2-CB 3.64Å; F111-A115 PolarHBondContact O-N 2.88Å; I112-A115 PolarHBondContact O-N 2.9Å; A115-S117 VanDerWaalsContact C-N 3.34Å; A115-S117 PolarHBondContact O-N 3.2Å; A115-Y119 VanDerWaalsContact O-CB 3.31Å; A115-Y119 WeakPolarHBondContact O-CB 3.37Å; A115-Y119 PolarHBondContact O-N 3.19Å
116A98Very high95.7Very high0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-65.6-37.2-17800000112.2I112 I114 Y119 T120 F137 W141I112-A116 WeakPolarHBondContact O-CB 3.31Å; I112-A116 PolarHBondContact O-N 3.22Å; I114-A116 PolarHBondContact O-N 3.4Å; A116-Y119 PolarHBondContact O-N 3.35Å; A116-T120 WeakPolarHBondContact O-CB 3.17Å; A116-T120 PolarHBondContact O-N 2.98Å; A116-T120 PolarHBondContact O-OG1 3.08Å; A116-F137 HydrophobicContact CB-CE2 4.41Å; A116-W141 HydrophobicContact CB-CD2 4.14Å; A116-W141 HydrophobicContact CB-CH2 4.28Å; A116-W141 HydrophobicContact CB-CZ2 3.69Å
117S98.1Very high95Very high52 Ų5244.5 Ų44.536%0.36423%0.23SC..Hα-helixtrans-68.3-47.8179-58.30000111.9M113 I114 A115 Y119 T120 D121M113-S117 VanDerWaalsContact O-CB 3.22Å; M113-S117 WeakPolarHBondContact O-CB 3.43Å; M113-S117 PolarHBondContact O-N 3.25Å; M113-S117 PolarHBondContact O-OG 2.97Å; I114-S117 PolarHBondContact O-N 2.98Å; A115-S117 VanDerWaalsContact C-N 3.34Å; A115-S117 PolarHBondContact O-N 3.2Å; S117-Y119 VanDerWaalsContact C-N 3.29Å; S117-Y119 PolarHBondContact O-N 3.49Å; S117-T120 PolarHBondContact O-N 2.67Å; S117-D121 WeakPolarHBondContact O-CB 3.34Å; S117-D121 PolarHBondContact O-N 3.49Å
118I97.9Very high94.1Very high35 Ų3547.9 Ų47.918%0.17924%0.242CC..Hα-helixtrans-60.5-43.8174.9-66.9173.3000109.8Y63 A66 V67 I114 T120 D121 R122 F123Y63-I118 HydrophobicContact CD1-CG2 3.75Å; Y63-I118 HydrophobicContact CG-CG2 4.2Å; A66-I118 HydrophobicContact CB-CD1 4.04Å; V67-I118 HydrophobicContact CG2-CB 3.93Å; V67-I118 HydrophobicContact CG2-CG2 3.69Å; I114-I118 HydrophobicContact CG2-CD1 3.61Å; I114-I118 HydrophobicContact CG2-CG1 4.3Å; I114-I118 WeakPolarHBondContact O-CG1 3.33Å; I114-I118 PolarHBondContact O-N 3.02Å; I118-T120 VanDerWaalsContact C-N 3.27Å; I118-T120 PolarHBondContact O-N 3.34Å; I118-D121 PolarHBondContact O-N 3.25Å; I118-R122 HydrophobicContact CG2-CG 4.23Å; I118-R122 WeakPolarHBondContact O-CB 3.37Å; I118-R122 PolarHBondContact O-N 3.42Å; I118-F123 HydrophobicContact CG2-CE2 4.3Å
119Y96.4Very high93.5Very high1 Ų153.1 Ų53.10%0.00428%0.279CS..Hα-helixtrans-59-41.8179.2-164.2-93000112W27 W28 V67 A115 A116 S117 F123 H124 Y133 F137W27-Y119 HydrophobicContact CB-CE1 4.05Å; W27-Y119 HydrophobicContact CB-CE2 4.38Å; W27-Y119 WeakPolarHBondContact CB-OH 3.25Å; W27-Y119 AromaticContact CE3-CD1 3.72Å; W27-Y119 HydrophobicContact CE3-CD1 3.72Å; W27-Y119 AromaticContact CE3-CD2 3.65Å; W27-Y119 HydrophobicContact CE3-CD2 3.65Å; W27-Y119 AromaticContact CE3-CE1 3.95Å; W27-Y119 HydrophobicContact CE3-CE1 3.95Å; W27-Y119 AromaticContact CE3-CE2 3.88Å; W27-Y119 HydrophobicContact CE3-CE2 3.88Å; W27-Y119 AromaticContact CE3-CG 3.54Å; W27-Y119 HydrophobicContact CE3-CG 3.54Å; W27-Y119 HydrophobicContact CZ3-CD1 4.28Å; W27-Y119 HydrophobicContact CZ3-CD2 4.02Å; W27-Y119 AromaticContact CZ3-CG 3.78Å; W27-Y119 HydrophobicContact CZ3-CG 3.78Å; W28-Y119 WeakPolarHBondContact CB-OH 3.41Å; V67-Y119 HydrophobicContact CG1-CD2 4.26Å; A115-Y119 VanDerWaalsContact O-CB 3.31Å; A115-Y119 WeakPolarHBondContact O-CB 3.37Å; A115-Y119 PolarHBondContact O-N 3.19Å; A116-Y119 PolarHBondContact O-N 3.35Å; S117-Y119 VanDerWaalsContact C-N 3.29Å; S117-Y119 PolarHBondContact O-N 3.49Å; Y119-F123 HydrophobicContact CD2-CB 4.38Å; Y119-F123 AromaticContact CD2-CD2 3.96Å; Y119-F123 HydrophobicContact CD2-CD2 3.96Å; Y119-F123 HydrophobicContact CD2-CG 4.25Å; Y119-F123 HydrophobicContact CE2-CB 4.33Å; Y119-F123 HydrophobicContact CE2-CG 4.38Å; Y119-F123 HydrophobicContact CG-CD2 4.36Å; Y119-F123 PolarHBondContact O-N 3Å; Y119-H124 AromaticContact CE1-CD2 3.87Å; Y119-H124 AromaticContact CZ-CD2 3.79Å; Y119-H124 AromaticContact CZ-NE2 3.76Å; Y119-H124 PolarHBondContact OH-NE2 3.28Å; Y119-H124 VanDerWaalsContact OH-NE2 3.09Å; Y119-Y133 HydrophobicContact CD1-CD1 4.49Å; Y119-Y133 HydrophobicContact CD1-CE1 4.02Å; Y119-Y133 HydrophobicContact CE1-CD1 4.35Å; Y119-Y133 HydrophobicContact CE1-CE1 4.13Å; Y119-F137 AromaticContact CD1-CD2 3.75Å; Y119-F137 HydrophobicContact CD1-CD2 3.75Å; Y119-F137 AromaticContact CD1-CE2 3.84Å; Y119-F137 HydrophobicContact CD1-CE2 3.84Å; Y119-F137 HydrophobicContact CE1-CD2 4.32Å
120T94.2Very high93Very high51 Ų5156.7 Ų56.731%0.31330%0.296SS..Hα-helixtrans-66.7-42178.3-52.10000112.6A116 S117 I118 Y133 F137A116-T120 WeakPolarHBondContact O-CB 3.17Å; A116-T120 PolarHBondContact O-N 2.98Å; A116-T120 PolarHBondContact O-OG1 3.08Å; S117-T120 PolarHBondContact O-N 2.67Å; I118-T120 VanDerWaalsContact C-N 3.27Å; I118-T120 PolarHBondContact O-N 3.34Å; T120-Y133 WeakPolarHBondContact CA-OH 3.42Å; T120-F137 WeakPolarHBondContact OG1-CZ 3.33Å
121D94.5Very high92.8Very high96 Ų9653.2 Ų53.251%0.51328%0.278SS..Hα-helixtrans-77.1-36.8-174.2-178.264.8000112.5S117 I118 I125S117-D121 WeakPolarHBondContact O-CB 3.34Å; S117-D121 PolarHBondContact O-N 3.49Å; I118-D121 PolarHBondContact O-N 3.25Å; D121-I125 WeakPolarHBondContact O-CD1 3.35Å; D121-I125 WeakPolarHBondContact O-CG1 3.28Å
122R94.2Very high92.6Very high93 Ų9355.7 Ų55.735%0.35129%0.293SS..Hα-helixtrans-104.9-32.9-167.6-63.2-65.6170.8156.3-1.5114.8E60 Y63 I118E60-R122 IonicContact OE1-NH1 3.72Å; Y63-R122 HydrophobicContact CD1-CG 3.91Å; Y63-R122 HydrophobicContact CD2-CG 4.06Å; Y63-R122 HydrophobicContact CE1-CG 4.19Å; Y63-R122 HydrophobicContact CE2-CG 4.35Å; Y63-R122 HydrophobicContact CG-CB 4.41Å; Y63-R122 HydrophobicContact CG-CG 3.84Å; Y63-R122 VanDerWaalsContact CZ-CZ 3.46Å; Y63-R122 VanDerWaalsContact OH-CZ 3.23Å; Y63-R122 PolarHBondContact OH-NH1 3.36Å; Y63-R122 PolarHBondContact OH-NH2 2.8Å; I118-R122 HydrophobicContact CG2-CG 4.23Å; I118-R122 WeakPolarHBondContact O-CB 3.37Å; I118-R122 PolarHBondContact O-N 3.42Å
123F92.9Very high92.4Very high6 Ų658.6 Ų58.63%0.02631%0.305CS..SBendtrans-103.5146.5-172.4-57.5-89.2000110.5Y59 L64 V67 I118 Y119 I125Y59-F123 AromaticContact CD1-CD1 3.98Å; Y59-F123 HydrophobicContact CD1-CD1 3.98Å; Y59-F123 HydrophobicContact CD1-CE1 4.33Å; Y59-F123 AromaticContact CD2-CD1 3.36Å; Y59-F123 HydrophobicContact CD2-CD1 3.36Å; Y59-F123 AromaticContact CD2-CE1 3.33Å; Y59-F123 HydrophobicContact CD2-CE1 3.33Å; Y59-F123 HydrophobicContact CE1-CD1 4.13Å; Y59-F123 AromaticContact CE2-CD1 3.51Å; Y59-F123 HydrophobicContact CE2-CD1 3.51Å; Y59-F123 AromaticContact CE2-CE1 3.95Å; Y59-F123 HydrophobicContact CE2-CE1 3.95Å; Y59-F123 HydrophobicContact CE2-CG 4.44Å; Y59-F123 AromaticContact CG-CD1 3.62Å; Y59-F123 HydrophobicContact CG-CD1 3.62Å; Y59-F123 AromaticContact CG-CE1 3.56Å; Y59-F123 HydrophobicContact CG-CE1 3.56Å; Y59-F123 AromaticContact CZ-CD1 3.92Å; L64-F123 HydrophobicContact CB-CE1 4.25Å; L64-F123 HydrophobicContact CB-CZ 3.91Å; V67-F123 HydrophobicContact CG2-CE2 4.23Å; I118-F123 HydrophobicContact CG2-CE2 4.3Å; Y119-F123 HydrophobicContact CD2-CB 4.38Å; Y119-F123 AromaticContact CD2-CD2 3.96Å; Y119-F123 HydrophobicContact CD2-CD2 3.96Å; Y119-F123 HydrophobicContact CD2-CG 4.25Å; Y119-F123 HydrophobicContact CE2-CB 4.33Å; Y119-F123 HydrophobicContact CE2-CG 4.38Å; Y119-F123 HydrophobicContact CG-CD2 4.36Å; Y119-F123 PolarHBondContact O-N 3Å; F123-I125 PolarHBondContact O-N 3.16Å
124H88.3Confident92.4Very high9 Ų956 Ų564%0.04229%0.293CS..SBendtrans61.214.7172.8-52.7-69.7000116.8W28 Y59 Y119 N126 E127 K128W28-H124 WeakPolarHBondContact CB-NE2 3.34Å; W28-H124 AromaticContact CD1-CE1 3.13Å; W28-H124 AromaticContact CD1-CG 3.86Å; W28-H124 AromaticContact CD1-ND1 3.31Å; W28-H124 VanDerWaalsContact CD1-ND1 3.31Å; W28-H124 AromaticContact CD1-NE2 3.69Å; W28-H124 HydrophobicContact CD2-CB 3.69Å; W28-H124 AromaticContact CD2-CD2 3.55Å; W28-H124 AromaticContact CD2-CE1 3.88Å; W28-H124 AromaticContact CD2-CG 3.34Å; W28-H124 AromaticContact CD2-ND1 3.63Å; W28-H124 AromaticContact CD2-NE2 3.91Å; W28-H124 AromaticContact CE2-CG 3.53Å; W28-H124 AromaticContact CE2-ND1 3.53Å; W28-H124 HydrophobicContact CE3-CB 3.72Å; W28-H124 AromaticContact CE3-CD2 3.81Å; W28-H124 AromaticContact CE3-CG 3.75Å; W28-H124 HydrophobicContact CG-CB 4.42Å; W28-H124 AromaticContact CG-CD2 3.49Å; W28-H124 VanDerWaalsContact CG-CD2 3.49Å; W28-H124 AromaticContact CG-CE1 3.26Å; W28-H124 AromaticContact CG-CG 3.59Å; W28-H124 AromaticContact CG-ND1 3.5Å; W28-H124 AromaticContact CG-NE2 3.31Å; W28-H124 VanDerWaalsContact CG-NE2 3.31Å; W28-H124 HydrophobicContact CH2-CB 3.69Å; W28-H124 HydrophobicContact CZ2-CB 3.64Å; W28-H124 HydrophobicContact CZ3-CB 3.73Å; W28-H124 AromaticContact NE1-CE1 3.63Å; W28-H124 AromaticContact NE1-CG 3.79Å; W28-H124 AromaticContact NE1-ND1 3.28Å; W28-H124 PolarHBondContact NE1-ND1 2.71Å; Y59-H124 AromaticContact CZ-CE1 3.89Å; Y59-H124 AromaticContact CZ-NE2 3.89Å; Y59-H124 PolarHBondContact OH-CE1 3.48Å; Y59-H124 PolarHBondContact OH-NE2 2.73Å; Y119-H124 AromaticContact CE1-CD2 3.87Å; Y119-H124 AromaticContact CZ-CD2 3.79Å; Y119-H124 AromaticContact CZ-NE2 3.76Å; Y119-H124 PolarHBondContact OH-NE2 3.28Å; Y119-H124 VanDerWaalsContact OH-NE2 3.09Å; H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 2.92Å; H124-E127 HydrophobicContact CB-CB 4.28Å; H124-E127 IonicContact CE1-OE2 3.63Å; H124-E127 PolarHBondContact CE1-OE2 3.28Å; H124-E127 IonicContact CG-OE2 3.84Å; H124-E127 IonicContact ND1-OE2 2.71Å; H124-E127 PolarHBondContact ND1-OE2 2.64Å; H124-E127 PolarHBondContact O-N 2.78Å; H124-K128 PolarHBondContact O-N 3.5Å
125I84.8Confident92.3Very high86 Ų8657.4 Ų57.444%0.44130%0.298SS..THydrogen-bonded Turntrans-54.1-44.7179.1-51.7171.4000111.3D121 F123D121-I125 WeakPolarHBondContact O-CD1 3.35Å; D121-I125 WeakPolarHBondContact O-CG1 3.28Å; F123-I125 PolarHBondContact O-N 3.16Å
126N83.9Confident92.3Very high154 Ų15457.4 Ų57.482%0.82430%0.298SS*.THydrogen-bonded Turntrans-90.8-1.2-178.2-60.8-32.8000113.2H124H124-N126 VanDerWaalsContact C-N 3.26Å; H124-N126 PolarHBondContact O-N 2.92Å
127E82.8Confident92.3Very high53 Ų5358 Ų5825%0.24830%0.301CS..THydrogen-bonded Turntrans-106.22.8-175.9-61.8-175.8174.800112.4W28 H124 S129 I130 G131W28-E127 HydrophobicContact CZ2-CB 4.08Å; H124-E127 HydrophobicContact CB-CB 4.28Å; H124-E127 IonicContact CE1-OE2 3.63Å; H124-E127 PolarHBondContact CE1-OE2 3.28Å; H124-E127 IonicContact CG-OE2 3.84Å; H124-E127 IonicContact ND1-OE2 2.71Å; H124-E127 PolarHBondContact ND1-OE2 2.64Å; H124-E127 PolarHBondContact O-N 2.78Å; E127-S129 PolarHBondContact O-N 3.49Å; E127-S129 VanDerWaalsContact O-N 3.07Å; E127-I130 HydrophobicContact CB-CD1 4.21Å; E127-I130 HydrophobicContact CB-CG1 4Å; E127-I130 HydrophobicContact CG-CD1 4.32Å; E127-I130 WeakPolarHBondContact O-CG1 3.41Å; E127-I130 PolarHBondContact O-N 2.83Å; E127-G131 PolarHBondContact O-N 3.49Å
128K81.4Confident92.3Very high126 Ų12659.9 Ų59.955%0.54831%0.306SS..THydrogen-bonded Turntrans-58.7-22.7-179.4-65.3-176.4-179.5179.30114.3W28 H124 I130W28-K128 HydrophobicContact CH2-CG 4.31Å; H124-K128 PolarHBondContact O-N 3.5Å; K128-I130 VanDerWaalsContact C-N 3.32Å
129S85.3Confident92.3Very high111 Ų11160.1 Ų60.178%0.77631%0.308SS*.THydrogen-bonded Turntrans-77.3-17.8175.756.90000113.6E127E127-S129 PolarHBondContact O-N 3.49Å; E127-S129 VanDerWaalsContact O-N 3.07Å
130I89.1Confident92.4Very high81 Ų8160 Ų6042%0.41531%0.307SS..THydrogen-bonded Turntrans-119.6-9.8-173.760.4168.4000113.7T30 F31 E127 K128T30-I130 WeakPolarHBondContact CA-O 3.34Å; T30-I130 WeakPolarHBondContact CB-O 3.31Å; F31-I130 PolarHBondContact N-O 2.93Å; E127-I130 HydrophobicContact CB-CD1 4.21Å; E127-I130 HydrophobicContact CB-CG1 4Å; E127-I130 HydrophobicContact CG-CD1 4.32Å; E127-I130 WeakPolarHBondContact O-CG1 3.41Å; E127-I130 PolarHBondContact O-N 2.83Å; K128-I130 VanDerWaalsContact C-N 3.32Å
131G92.9Very high92.6Very high1 Ų161.9 Ų61.91%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-152.9174.7-179.900000114W28 V29 E127W28-G131 WeakPolarHBondContact CH2-O 3.48Å; W28-G131 WeakPolarHBondContact CZ2-O 3.45Å; V29-G131 CarbonylContact O-C 3.56Å; V29-G131 WeakPolarHBondContact O-CA 3.38Å; E127-G131 PolarHBondContact O-N 3.49Å
132N95.2Very high92.8Very high92 Ų9261.1 Ų61.149%0.49230%0.304SS..EExtended strand (participates in β ladder)trans-143163.2179.8-72.5-61.5000110.7W28 V29 G134W28-N132 VanDerWaalsContact CE3-C 3.44Å; V29-N132 WeakPolarHBondContact CG2-O 3.47Å; V29-N132 PolarHBondContact N-O 3.47Å; V29-N132 PolarHBondContact O-N 3.43Å; N132-G134 PolarHBondContact O-N 3.25Å
133Y95.8Very high93Very high62 Ų6256.7 Ų56.724%0.24329%0.287CS..EExtended strand (participates in β ladder)trans-62.1129.7170.2-65.6-69.7000110.9W27 W28 Y119 T120 F137W27-Y133 WeakPolarHBondContact O-CA 3.24Å; W28-Y133 AromaticContact CE3-CD1 3.86Å; W28-Y133 HydrophobicContact CE3-CD1 3.86Å; W28-Y133 HydrophobicContact CE3-CE1 4.03Å; W28-Y133 HydrophobicContact CE3-CG 4.26Å; W28-Y133 HydrophobicContact CZ3-CD1 4.05Å; W28-Y133 HydrophobicContact CZ3-CD2 4.26Å; W28-Y133 HydrophobicContact CZ3-CE1 4.01Å; W28-Y133 HydrophobicContact CZ3-CE2 4.24Å; W28-Y133 HydrophobicContact CZ3-CG 4.16Å; Y119-Y133 HydrophobicContact CD1-CD1 4.49Å; Y119-Y133 HydrophobicContact CD1-CE1 4.02Å; Y119-Y133 HydrophobicContact CE1-CD1 4.35Å; Y119-Y133 HydrophobicContact CE1-CE1 4.13Å; T120-Y133 WeakPolarHBondContact CA-OH 3.42Å; Y133-F137 VanDerWaalsContact CB-CD1 3.5Å; Y133-F137 HydrophobicContact CD1-CB 4.28Å; Y133-F137 AromaticContact CD1-CD1 3.43Å; Y133-F137 HydrophobicContact CD1-CD1 3.43Å; Y133-F137 VanDerWaalsContact CD1-CD1 3.43Å; Y133-F137 AromaticContact CD1-CD2 3.81Å; Y133-F137 HydrophobicContact CD1-CD2 3.81Å; Y133-F137 AromaticContact CD1-CE1 3.5Å; Y133-F137 HydrophobicContact CD1-CE1 3.5Å; Y133-F137 AromaticContact CD1-CE2 3.89Å; Y133-F137 HydrophobicContact CD1-CE2 3.89Å; Y133-F137 AromaticContact CD1-CG 3.56Å; Y133-F137 HydrophobicContact CD1-CG 3.56Å; Y133-F137 AromaticContact CD1-CZ 3.72Å; Y133-F137 HydrophobicContact CD1-CZ 3.72Å; Y133-F137 HydrophobicContact CD2-CD1 4.33Å; Y133-F137 AromaticContact CD2-CE1 3.98Å; Y133-F137 HydrophobicContact CD2-CE1 3.98Å; Y133-F137 HydrophobicContact CE1-CD1 4.27Å; Y133-F137 HydrophobicContact CE1-CD2 4.17Å; Y133-F137 AromaticContact CE1-CE1 3.94Å; Y133-F137 HydrophobicContact CE1-CE1 3.94Å; Y133-F137 AromaticContact CE1-CE2 3.84Å; Y133-F137 HydrophobicContact CE1-CE2 3.84Å; Y133-F137 HydrophobicContact CE1-CG 4.35Å; Y133-F137 AromaticContact CE1-CZ 3.69Å; Y133-F137 HydrophobicContact CE1-CZ 3.69Å; Y133-F137 HydrophobicContact CE2-CE1 4.35Å; Y133-F137 AromaticContact CG-CD1 3.49Å; Y133-F137 HydrophobicContact CG-CD1 3.49Å; Y133-F137 VanDerWaalsContact CG-CD1 3.49Å; Y133-F137 AromaticContact CG-CE1 3.55Å; Y133-F137 HydrophobicContact CG-CE1 3.55Å; Y133-F137 HydrophobicContact CG-CG 4.07Å; Y133-F137 HydrophobicContact CG-CZ 4.18Å
134G96.7Very high93.3Very high6 Ų658.8 Ų58.86%0.06230%0.296CS..  trans-85.7-179.1178.200000112.8A26 W27 N132 S136 F137 I138A26-G134 CarbonylContact O-C 3.58Å; A26-G134 WeakPolarHBondContact O-CA 3.47Å; W27-G134 PolarHBondContact O-N 3.28Å; N132-G134 PolarHBondContact O-N 3.25Å; G134-S136 PolarHBondContact O-N 2.88Å; G134-F137 PolarHBondContact O-N 3.25Å; G134-I138 PolarHBondContact O-N 3.28Å
135H97.3Very high93.8Very high90 Ų9059.5 Ų59.542%0.41731%0.306SS..Hα-helixtrans-66.1-35.7-174.861.6-86.7000113D24 A26 F137 I138 L139D24-H135 IonicContact OD2-CD2 3.68Å; D24-H135 IonicContact OD2-CE1 2.69Å; D24-H135 IonicContact OD2-NE2 3.47Å; D24-H135 PolarHBondContact OD2-NE2 2.77Å; A26-H135 WeakPolarHBondContact CB-CE1 3.41Å; A26-H135 VanDerWaalsContact CB-ND1 3.35Å; A26-H135 WeakPolarHBondContact CB-ND1 3.46Å; A26-H135 PolarHBondContact O-N 3.26Å; H135-F137 VanDerWaalsContact C-N 3.27Å; H135-F137 PolarHBondContact O-N 3.05Å; H135-I138 PolarHBondContact O-N 2.71Å; H135-I138 VanDerWaalsContact O-N 3.15Å; H135-L139 WeakPolarHBondContact O-CB 3.41Å; H135-L139 VanDerWaalsContact O-CG 3.27Å; H135-L139 WeakPolarHBondContact O-CG 3.43Å; H135-L139 PolarHBondContact O-N 2.88Å
136S98Very high94.4Very high0 Ų057.2 Ų57.20%030%0.295CS..Hα-helixtrans-59.8-38.9178.3-560000111.8A21 D24 A26 G134 L139 A140A21-S136 WeakPolarHBondContact CB-O 3.37Å; D24-S136 PolarHBondContact O-OG 2.93Å; A26-S136 PolarHBondContact N-OG 2.99Å; A26-S136 WeakPolarHBondContact O-CB 3.46Å; A26-S136 PolarHBondContact O-N 2.93Å; G134-S136 PolarHBondContact O-N 2.88Å; S136-L139 PolarHBondContact O-N 3.27Å; S136-A140 PolarHBondContact O-N 3.05Å
137F98Very high95.1Very high13 Ų1349.9 Ų49.96%0.05726%0.255CS..Hα-helixtrans-68.4-40.8176.2176.6-91.3000112.3W27 A116 Y119 T120 Y133 G134 H135 L139 A140 W141W27-F137 HydrophobicContact CB-CB 4.42Å; W27-F137 HydrophobicContact CD2-CB 4.42Å; W27-F137 HydrophobicContact CE3-CB 4.47Å; W27-F137 AromaticContact CE3-CD2 3.83Å; W27-F137 HydrophobicContact CE3-CD2 3.83Å; W27-F137 HydrophobicContact CG-CB 4.47Å; W27-F137 HydrophobicContact CZ3-CD2 4.1Å; W27-F137 WeakPolarHBondContact O-CB 3.46Å; A116-F137 HydrophobicContact CB-CE2 4.41Å; Y119-F137 AromaticContact CD1-CD2 3.75Å; Y119-F137 HydrophobicContact CD1-CD2 3.75Å; Y119-F137 AromaticContact CD1-CE2 3.84Å; Y119-F137 HydrophobicContact CD1-CE2 3.84Å; Y119-F137 HydrophobicContact CE1-CD2 4.32Å; T120-F137 WeakPolarHBondContact OG1-CZ 3.33Å; Y133-F137 VanDerWaalsContact CB-CD1 3.5Å; Y133-F137 HydrophobicContact CD1-CB 4.28Å; Y133-F137 AromaticContact CD1-CD1 3.43Å; Y133-F137 HydrophobicContact CD1-CD1 3.43Å; Y133-F137 VanDerWaalsContact CD1-CD1 3.43Å; Y133-F137 AromaticContact CD1-CD2 3.81Å; Y133-F137 HydrophobicContact CD1-CD2 3.81Å; Y133-F137 AromaticContact CD1-CE1 3.5Å; Y133-F137 HydrophobicContact CD1-CE1 3.5Å; Y133-F137 AromaticContact CD1-CE2 3.89Å; Y133-F137 HydrophobicContact CD1-CE2 3.89Å; Y133-F137 AromaticContact CD1-CG 3.56Å; Y133-F137 HydrophobicContact CD1-CG 3.56Å; Y133-F137 AromaticContact CD1-CZ 3.72Å; Y133-F137 HydrophobicContact CD1-CZ 3.72Å; Y133-F137 HydrophobicContact CD2-CD1 4.33Å; Y133-F137 AromaticContact CD2-CE1 3.98Å; Y133-F137 HydrophobicContact CD2-CE1 3.98Å; Y133-F137 HydrophobicContact CE1-CD1 4.27Å; Y133-F137 HydrophobicContact CE1-CD2 4.17Å; Y133-F137 AromaticContact CE1-CE1 3.94Å; Y133-F137 HydrophobicContact CE1-CE1 3.94Å; Y133-F137 AromaticContact CE1-CE2 3.84Å; Y133-F137 HydrophobicContact CE1-CE2 3.84Å; Y133-F137 HydrophobicContact CE1-CG 4.35Å; Y133-F137 AromaticContact CE1-CZ 3.69Å; Y133-F137 HydrophobicContact CE1-CZ 3.69Å; Y133-F137 HydrophobicContact CE2-CE1 4.35Å; Y133-F137 AromaticContact CG-CD1 3.49Å; Y133-F137 HydrophobicContact CG-CD1 3.49Å; Y133-F137 VanDerWaalsContact CG-CD1 3.49Å; Y133-F137 AromaticContact CG-CE1 3.55Å; Y133-F137 HydrophobicContact CG-CE1 3.55Å; Y133-F137 HydrophobicContact CG-CG 4.07Å; Y133-F137 HydrophobicContact CG-CZ 4.18Å; G134-F137 PolarHBondContact O-N 3.25Å; H135-F137 VanDerWaalsContact C-N 3.27Å; H135-F137 PolarHBondContact O-N 3.05Å; F137-L139 VanDerWaalsContact C-N 3.32Å; F137-L139 PolarHBondContact O-N 3.42Å; F137-A140 WeakPolarHBondContact O-CB 3.46Å; F137-A140 PolarHBondContact O-N 3.03Å; F137-W141 AromaticContact CE1-CD1 3.52Å; F137-W141 AromaticContact CE1-NE1 3.4Å; F137-W141 AromaticContact CE2-NE1 3.82Å; F137-W141 AromaticContact CZ-CD1 3.73Å; F137-W141 AromaticContact CZ-NE1 3.14Å; F137-W141 PolarHBondContact O-N 3.09Å
138I98.1Very high95.9Very high92 Ų9252.2 Ų52.247%0.47227%0.265SS..Hα-helixtrans-63.7-42175.1-62.9170.6000110.3G134 H135 A140 W141 I142G134-I138 PolarHBondContact O-N 3.28Å; H135-I138 PolarHBondContact O-N 2.71Å; H135-I138 VanDerWaalsContact O-N 3.15Å; I138-A140 VanDerWaalsContact C-N 3.28Å; I138-A140 PolarHBondContact O-N 3.39Å; I138-W141 PolarHBondContact O-N 2.86Å; I138-I142 HydrophobicContact CG2-CD1 3.98Å; I138-I142 WeakPolarHBondContact O-CG1 3.27Å; I138-I142 PolarHBondContact O-N 2.95Å
139L98.3Very high96.7Very high39 Ų3950.5 Ų50.520%0.20426%0.261CS..Hα-helixtrans-62.9-33.7176.3-69.3-178.3000112.1L17 V20 A21 H135 S136 F137 I142 A143L17-L139 HydrophobicContact CD2-CD1 4.48Å; L17-L139 HydrophobicContact CD2-CD2 3.86Å; V20-L139 HydrophobicContact CB-CD1 4.23Å; V20-L139 HydrophobicContact CG1-CD1 3.53Å; A21-L139 HydrophobicContact CB-CB 4.35Å; H135-L139 WeakPolarHBondContact O-CB 3.41Å; H135-L139 VanDerWaalsContact O-CG 3.27Å; H135-L139 WeakPolarHBondContact O-CG 3.43Å; H135-L139 PolarHBondContact O-N 2.88Å; S136-L139 PolarHBondContact O-N 3.27Å; F137-L139 VanDerWaalsContact C-N 3.32Å; F137-L139 PolarHBondContact O-N 3.42Å; L139-I142 HydrophobicContact CD2-CD1 4.23Å; L139-I142 PolarHBondContact O-N 2.93Å; L139-A143 VanDerWaalsContact O-CB 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.12Å; L139-A143 PolarHBondContact O-N 2.77Å
140A98.6Very high97.2Very high0 Ų045.2 Ų45.20%022%0.224CC..Hα-helixtrans-60-43.9172.900000112.2A21 W27 I112 S136 F137 I138 A143 F144A21-A140 HydrophobicContact CB-CB 4.07Å; W27-A140 HydrophobicContact CH2-CB 4.31Å; W27-A140 HydrophobicContact CZ2-CB 4.31Å; I112-A140 HydrophobicContact CD1-CB 3.84Å; I112-A140 HydrophobicContact CG1-CB 4.1Å; S136-A140 PolarHBondContact O-N 3.05Å; F137-A140 WeakPolarHBondContact O-CB 3.46Å; F137-A140 PolarHBondContact O-N 3.03Å; I138-A140 VanDerWaalsContact C-N 3.28Å; I138-A140 PolarHBondContact O-N 3.39Å; A140-A143 PolarHBondContact O-N 3.15Å; A140-F144 PolarHBondContact O-N 3.28Å
141W98.6Very high97.6Very high89 Ų8941.5 Ų41.534%0.33721%0.205SC..Hα-helixtrans-69.2-36.4176-78.8112.1000113.4M113 A116 F137 I138 F144 G145M113-W141 HydrophobicContact CG-CZ3 4.48Å; A116-W141 HydrophobicContact CB-CD2 4.14Å; A116-W141 HydrophobicContact CB-CH2 4.28Å; A116-W141 HydrophobicContact CB-CZ2 3.69Å; F137-W141 AromaticContact CE1-CD1 3.52Å; F137-W141 AromaticContact CE1-NE1 3.4Å; F137-W141 AromaticContact CE2-NE1 3.82Å; F137-W141 AromaticContact CZ-CD1 3.73Å; F137-W141 AromaticContact CZ-NE1 3.14Å; F137-W141 PolarHBondContact O-N 3.09Å; I138-W141 PolarHBondContact O-N 2.86Å; W141-F144 HydrophobicContact CE3-CB 4.41Å; W141-F144 AromaticContact CE3-CD1 3.82Å; W141-F144 HydrophobicContact CE3-CD1 3.82Å; W141-F144 HydrophobicContact CE3-CE1 4.49Å; W141-F144 HydrophobicContact CE3-CG 4.31Å; W141-F144 HydrophobicContact CZ3-CD1 4.05Å; W141-F144 HydrophobicContact CZ3-CE1 4.38Å; W141-F144 HydrophobicContact CZ3-CG 4.48Å; W141-F144 WeakPolarHBondContact O-CB 3.49Å; W141-F144 PolarHBondContact O-N 2.74Å; W141-G145 PolarHBondContact O-N 2.84Å; W141-G145 VanDerWaalsContact O-N 3.12Å
142I98.6Very high97.9Very high80 Ų8045 Ų4541%0.4122%0.223SC..Hα-helixtrans-65-44.5172.9-64.3167.8000109.6L17 I138 L139 F144 G145 L146L17-I142 HydrophobicContact CD1-CB 4.21Å; L17-I142 HydrophobicContact CD1-CG2 3.55Å; I138-I142 HydrophobicContact CG2-CD1 3.98Å; I138-I142 WeakPolarHBondContact O-CG1 3.27Å; I138-I142 PolarHBondContact O-N 2.95Å; L139-I142 HydrophobicContact CD2-CD1 4.23Å; L139-I142 PolarHBondContact O-N 2.93Å; I142-F144 VanDerWaalsContact C-N 3.32Å; I142-F144 PolarHBondContact O-N 3.32Å; I142-G145 WeakPolarHBondContact O-CA 3.19Å; I142-G145 PolarHBondContact O-N 3.25Å; I142-L146 HydrophobicContact CG2-CD1 4.44Å; I142-L146 HydrophobicContact CG2-CG 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.12Å; I142-L146 PolarHBondContact O-N 2.95Å
143A98.6Very high97.9Very high0 Ų042.8 Ų42.80%021%0.212CC..Hα-helixtrans-59.7-41.1176.200000112.1L17 L18 L139 A140 G145 L146 T147L17-A143 HydrophobicContact CB-CB 3.95Å; L18-A143 HydrophobicContact CD2-CB 3.7Å; L18-A143 HydrophobicContact CG-CB 3.91Å; L139-A143 VanDerWaalsContact O-CB 3.25Å; L139-A143 WeakPolarHBondContact O-CB 3.12Å; L139-A143 PolarHBondContact O-N 2.77Å; A140-A143 PolarHBondContact O-N 3.15Å; A143-G145 PolarHBondContact O-N 3.37Å; A143-L146 PolarHBondContact O-N 2.91Å; A143-T147 WeakPolarHBondContact O-CB 3.37Å; A143-T147 VanDerWaalsContact O-CG2 3.24Å; A143-T147 WeakPolarHBondContact O-CG2 3.39Å; A143-T147 PolarHBondContact O-N 3.44Å; A143-T147 PolarHBondContact O-OG1 3.33Å
144F98.6Very high98Very high51 Ų5139.8 Ų39.822%0.22420%0.2CC..Hα-helixtrans-53-51.1169.2160.4-108.6000111.5C109 I112 M113 A140 W141 I142 L146 T147 F148C109-F144 WeakPolarHBondContact SG-CD2 3.38Å; C109-F144 VanDerWaalsContact SG-CE2 3.54Å; I112-F144 HydrophobicContact CG2-CB 3.97Å; M113-F144 HydrophobicContact CB-CD2 3.73Å; M113-F144 HydrophobicContact CB-CE2 3.98Å; M113-F144 HydrophobicContact CB-CG 4.46Å; M113-F144 HydrophobicContact CG-CD2 4.24Å; M113-F144 HydrophobicContact CG-CE2 4.08Å; M113-F144 HydrophobicContact SD-CD2 4.39Å; M113-F144 HydrophobicContact SD-CE2 3.66Å; M113-F144 HydrophobicContact SD-CZ 4.02Å; A140-F144 PolarHBondContact O-N 3.28Å; W141-F144 HydrophobicContact CE3-CB 4.41Å; W141-F144 AromaticContact CE3-CD1 3.82Å; W141-F144 HydrophobicContact CE3-CD1 3.82Å; W141-F144 HydrophobicContact CE3-CE1 4.49Å; W141-F144 HydrophobicContact CE3-CG 4.31Å; W141-F144 HydrophobicContact CZ3-CD1 4.05Å; W141-F144 HydrophobicContact CZ3-CE1 4.38Å; W141-F144 HydrophobicContact CZ3-CG 4.48Å; W141-F144 WeakPolarHBondContact O-CB 3.49Å; W141-F144 PolarHBondContact O-N 2.74Å; I142-F144 VanDerWaalsContact C-N 3.32Å; I142-F144 PolarHBondContact O-N 3.32Å; F144-L146 PolarHBondContact O-N 3.34Å; F144-T147 WeakPolarHBondContact CA-OG1 3.35Å; F144-T147 PolarHBondContact O-N 3.41Å; F144-T147 PolarHBondContact O-OG1 3.43Å; F144-F148 VanDerWaalsContact O-CB 3.29Å; F144-F148 WeakPolarHBondContact O-CB 3.01Å; F144-F148 PolarHBondContact O-N 2.99Å
145G98.6Very high98Very high24 Ų2442.8 Ų42.825%0.24721%0.212CC..Hα-helixtrans-59.5-45.6178.200000113.1W141 I142 A143 F148 I149W141-G145 PolarHBondContact O-N 2.84Å; W141-G145 VanDerWaalsContact O-N 3.12Å; I142-G145 WeakPolarHBondContact O-CA 3.19Å; I142-G145 PolarHBondContact O-N 3.25Å; A143-G145 PolarHBondContact O-N 3.37Å; G145-F148 PolarHBondContact O-N 2.93Å; G145-I149 VanDerWaalsContact O-CG1 3.29Å; G145-I149 WeakPolarHBondContact O-CG1 3.28Å; G145-I149 PolarHBondContact O-N 2.92Å
146L98.6Very high97.8Very high38 Ų3843.3 Ų43.320%0.19922%0.221CC..Hα-helixtrans-66.7-43-179.9-58.3-170000112.1L10 A13 A14 L17 I142 A143 F144 I149 S150L10-L146 HydrophobicContact CD1-CB 4.13Å; L10-L146 HydrophobicContact CD1-CD1 4.45Å; L10-L146 HydrophobicContact CD1-CD2 3.72Å; L10-L146 HydrophobicContact CD1-CG 4.29Å; A13-L146 HydrophobicContact CB-CD1 4.26Å; A14-L146 HydrophobicContact CB-CB 3.89Å; L17-L146 HydrophobicContact CD1-CD1 3.8Å; I142-L146 HydrophobicContact CG2-CD1 4.44Å; I142-L146 HydrophobicContact CG2-CG 4.28Å; I142-L146 WeakPolarHBondContact O-CG 3.12Å; I142-L146 PolarHBondContact O-N 2.95Å; A143-L146 PolarHBondContact O-N 2.91Å; F144-L146 PolarHBondContact O-N 3.34Å; L146-I149 PolarHBondContact O-N 3.02Å; L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.39Å; L146-S150 PolarHBondContact O-OG 2.87Å
147T98.5Very high97.6Very high0 Ų045 Ų450%023%0.23CC..Hα-helixtrans-66-37.9177.354.70000111.8A14 L18 C109 A143 F144 S150 S151A14-T147 HydrophobicContact CB-CG2 3.89Å; L18-T147 HydrophobicContact CD1-CG2 4.05Å; C109-T147 WeakPolarHBondContact CA-OG1 3.39Å; C109-T147 WeakPolarHBondContact CB-OG1 3.36Å; A143-T147 WeakPolarHBondContact O-CB 3.37Å; A143-T147 VanDerWaalsContact O-CG2 3.24Å; A143-T147 WeakPolarHBondContact O-CG2 3.39Å; A143-T147 PolarHBondContact O-N 3.44Å; A143-T147 PolarHBondContact O-OG1 3.33Å; F144-T147 WeakPolarHBondContact CA-OG1 3.35Å; F144-T147 PolarHBondContact O-N 3.41Å; F144-T147 PolarHBondContact O-OG1 3.43Å; T147-S150 WeakPolarHBondContact CA-OG 3.33Å; T147-S150 PolarHBondContact O-OG 2.97Å; T147-S150 VanDerWaalsContact O-OG 3.1Å; T147-S151 VanDerWaalsContact O-CB 3.29Å; T147-S151 WeakPolarHBondContact O-CB 3.39Å; T147-S151 PolarHBondContact O-N 2.9Å; T147-S151 PolarHBondContact O-OG 2.64Å
148F98.4Very high97.2Very high102 Ų10251.5 Ų51.545%0.44725%0.254SS..Hα-helixtrans-62.3-52.1173.9-176.2-112.5000111.6F144 G145 S150 S151 I152F144-F148 VanDerWaalsContact O-CB 3.29Å; F144-F148 WeakPolarHBondContact O-CB 3.01Å; F144-F148 PolarHBondContact O-N 2.99Å; G145-F148 PolarHBondContact O-N 2.93Å; F148-S150 PolarHBondContact O-N 2.76Å; F148-S151 PolarHBondContact O-N 3.07Å; F148-S151 PolarHBondContact O-OG 2.76Å; F148-I152 HydrophobicContact CD1-CD1 3.95Å; F148-I152 HydrophobicContact CE1-CD1 3.49Å; F148-I152 VanDerWaalsContact CE1-CD1 3.49Å; F148-I152 HydrophobicContact CE2-CD1 4.16Å; F148-I152 HydrophobicContact CG-CD1 4.48Å; F148-I152 HydrophobicContact CZ-CD1 3.62Å; F148-I152 PolarHBondContact O-N 2.9Å; F148-I152 VanDerWaalsContact O-N 3.13Å
149I98.3Very high96.7Very high90 Ų9048.8 Ų48.846%0.46224%0.239SC..Hα-helixtrans-60.4-47.1179-67.1166.5000110.5L10 G145 L146 S151 I152 V153L10-I149 HydrophobicContact CD2-CB 4.46Å; L10-I149 HydrophobicContact CD2-CG2 3.94Å; G145-I149 VanDerWaalsContact O-CG1 3.29Å; G145-I149 WeakPolarHBondContact O-CG1 3.28Å; G145-I149 PolarHBondContact O-N 2.92Å; L146-I149 PolarHBondContact O-N 3.02Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 3.47Å; I149-I152 PolarHBondContact O-N 2.76Å; I149-V153 HydrophobicContact CG2-CG2 4.44Å; I149-V153 WeakPolarHBondContact O-CG2 3.49Å; I149-V153 PolarHBondContact O-N 2.77Å
150S97.3Very high95.9Very high0 Ų057.5 Ų57.50%028%0.275CS..Hα-helixtrans-62.7-38.5-179.767.10000112Q105 L146 T147 F148 I152 V153 Y154Q105-S150 WeakPolarHBondContact CG-OG 3.32Å; Q105-S150 PolarHBondContact NE2-OG 2.91Å; L146-S150 WeakPolarHBondContact O-CB 3.43Å; L146-S150 PolarHBondContact O-N 3.39Å; L146-S150 PolarHBondContact O-OG 2.87Å; T147-S150 WeakPolarHBondContact CA-OG 3.33Å; T147-S150 PolarHBondContact O-OG 2.97Å; T147-S150 VanDerWaalsContact O-OG 3.1Å; F148-S150 PolarHBondContact O-N 2.76Å; S150-I152 PolarHBondContact O-N 3.48Å; S150-V153 PolarHBondContact O-N 2.91Å; S150-Y154 WeakPolarHBondContact O-CD2 3.49Å; S150-Y154 PolarHBondContact O-N 3.33Å
151S97.3Very high95.8Very high3 Ų360.4 Ų60.42%0.02129%0.289CS..Hα-helixtrans-61.6-42.717679.20000113.1T147 F148 I149 V153 Y154 F155T147-S151 VanDerWaalsContact O-CB 3.29Å; T147-S151 WeakPolarHBondContact O-CB 3.39Å; T147-S151 PolarHBondContact O-N 2.9Å; T147-S151 PolarHBondContact O-OG 2.64Å; F148-S151 PolarHBondContact O-N 3.07Å; F148-S151 PolarHBondContact O-OG 2.76Å; I149-S151 VanDerWaalsContact C-N 3.3Å; I149-S151 PolarHBondContact O-N 3.47Å; S151-V153 PolarHBondContact O-N 3.46Å; S151-Y154 WeakPolarHBondContact O-CB 3.18Å; S151-Y154 PolarHBondContact O-N 2.9Å; S151-F155 WeakPolarHBondContact O-CD2 3.11Å; S151-F155 PolarHBondContact O-N 3.16Å
152I97.7Very high95.6Very high75 Ų7558.8 Ų58.839%0.38529%0.286SS..Hα-helixtrans-62.7-46.1175.7-68.5169.5000110F148 I149 S150 Y154 F155 V156F148-I152 HydrophobicContact CD1-CD1 3.95Å; F148-I152 HydrophobicContact CE1-CD1 3.49Å; F148-I152 VanDerWaalsContact CE1-CD1 3.49Å; F148-I152 HydrophobicContact CE2-CD1 4.16Å; F148-I152 HydrophobicContact CG-CD1 4.48Å; F148-I152 HydrophobicContact CZ-CD1 3.62Å; F148-I152 PolarHBondContact O-N 2.9Å; F148-I152 VanDerWaalsContact O-N 3.13Å; I149-I152 PolarHBondContact O-N 2.76Å; S150-I152 PolarHBondContact O-N 3.48Å; I152-Y154 VanDerWaalsContact C-N 3.29Å; I152-Y154 PolarHBondContact O-N 2.59Å; I152-F155 PolarHBondContact O-N 2.69Å; I152-F155 VanDerWaalsContact O-N 3.16Å; I152-V156 HydrophobicContact CG2-CG2 4.33Å; I152-V156 WeakPolarHBondContact O-CG2 3.32Å; I152-V156 PolarHBondContact O-N 2.77Å
153V96.8Very high95.4Very high44 Ų4457.7 Ų57.727%0.26728%0.279SS..Hα-helixtrans-61.6-39.7179.2178.10000110.7L7 I149 S150 S151 F155 V156 L157L7-V153 HydrophobicContact CD1-CB 4.06Å; L7-V153 HydrophobicContact CD1-CG1 3.95Å; L7-V153 HydrophobicContact CD2-CG1 3.93Å; L7-V153 HydrophobicContact CG-CG1 4.39Å; I149-V153 HydrophobicContact CG2-CG2 4.44Å; I149-V153 WeakPolarHBondContact O-CG2 3.49Å; I149-V153 PolarHBondContact O-N 2.77Å; S150-V153 PolarHBondContact O-N 2.91Å; S151-V153 PolarHBondContact O-N 3.46Å; V153-F155 VanDerWaalsContact C-N 3.32Å; V153-F155 PolarHBondContact O-N 3.15Å; V153-V156 PolarHBondContact O-N 3Å; V153-L157 HydrophobicContact CG1-CB 4.46Å; V153-L157 WeakPolarHBondContact O-CB 3.39Å; V153-L157 PolarHBondContact O-N 3.43Å
154Y96.6Very high95.3Very high0 Ų061.1 Ų61.10%030%0.296CS..Hα-helixtrans-57.7-41.5174.6-81.1-50.9000113.1L7 H11 F85 F98 Q105 S150 S151 I152L7-Y154 HydrophobicContact CD1-CE1 4.22Å; L7-Y154 HydrophobicContact CD1-CE2 4.17Å; L7-Y154 HydrophobicContact CD2-CD1 3.69Å; L7-Y154 HydrophobicContact CD2-CE1 3.39Å; L7-Y154 HydrophobicContact CD2-CG 4.45Å; L7-Y154 HydrophobicContact CG-CD1 4.46Å; L7-Y154 HydrophobicContact CG-CE1 3.86Å; H11-Y154 AromaticContact CE1-CE2 3.94Å; H11-Y154 AromaticContact ND1-CE2 3.52Å; H11-Y154 AromaticContact ND1-CZ 3.53Å; H11-Y154 PolarHBondContact ND1-OH 3.25Å; F85-Y154 HydrophobicContact CB-CE1 4.08Å; F85-Y154 HydrophobicContact CD1-CE1 4.21Å; F85-Y154 WeakPolarHBondContact CD1-OH 3.36Å; F85-Y154 HydrophobicContact CD2-CD1 4.18Å; F85-Y154 AromaticContact CD2-CE1 3.33Å; F85-Y154 HydrophobicContact CD2-CE1 3.33Å; F85-Y154 HydrophobicContact CE1-CE1 4.48Å; F85-Y154 HydrophobicContact CE2-CD1 4.49Å; F85-Y154 AromaticContact CE2-CE1 3.68Å; F85-Y154 HydrophobicContact CE2-CE1 3.68Å; F85-Y154 AromaticContact CG-CE1 3.61Å; F85-Y154 HydrophobicContact CG-CE1 3.61Å; F85-Y154 AromaticContact CG-CZ 3.92Å; F85-Y154 WeakPolarHBondContact CG-OH 3.42Å; F85-Y154 HydrophobicContact CZ-CE1 4.24Å; F98-Y154 HydrophobicContact CB-CD1 3.65Å; F98-Y154 HydrophobicContact CB-CE1 4.45Å; F98-Y154 HydrophobicContact CB-CG 4.47Å; F98-Y154 HydrophobicContact CG-CD1 4.31Å; F98-Y154 PolarHBondContact N-O 2.96Å; Q105-Y154 HydrophobicContact CB-CD2 4.15Å; Q105-Y154 HydrophobicContact CB-CE2 4.39Å; Q105-Y154 HydrophobicContact CG-CD2 4.28Å; Q105-Y154 HydrophobicContact CG-CE2 4.29Å; S150-Y154 WeakPolarHBondContact O-CD2 3.49Å; S150-Y154 PolarHBondContact O-N 3.33Å; S151-Y154 WeakPolarHBondContact O-CB 3.18Å; S151-Y154 PolarHBondContact O-N 2.9Å; I152-Y154 VanDerWaalsContact C-N 3.29Å; I152-Y154 PolarHBondContact O-N 2.59Å
155F96.4Very high95.1Very high69 Ų6961.7 Ų61.730%0.30330%0.3SS..Hα-helixtrans-74.7-29.7178.2-67.2-49.7000114.1R97 T99 G102 V103 V106 S151 I152 V153R97-F155 WeakPolarHBondContact CD-O 3.26Å; R97-F155 PolarHBondContact NE-O 2.63Å; T99-F155 HydrophobicContact CG2-CD1 4.16Å; T99-F155 HydrophobicContact CG2-CE1 3.96Å; T99-F155 WeakPolarHBondContact O-CE1 3.35Å; G102-F155 VanDerWaalsContact C-CZ 3.41Å; V103-F155 HydrophobicContact CG2-CE1 4.11Å; V103-F155 HydrophobicContact CG2-CZ 4.12Å; V106-F155 HydrophobicContact CG2-CE2 3.58Å; V106-F155 HydrophobicContact CG2-CZ 4.07Å; S151-F155 WeakPolarHBondContact O-CD2 3.11Å; S151-F155 PolarHBondContact O-N 3.16Å; I152-F155 PolarHBondContact O-N 2.69Å; I152-F155 VanDerWaalsContact O-N 3.16Å; V153-F155 VanDerWaalsContact C-N 3.32Å; V153-F155 PolarHBondContact O-N 3.15Å
156V94.6Very high94.8Very high100 Ų10064.2 Ų64.261%0.60630%0.304SS*.Hα-helixtrans-85.1-41.1-177.9174.80000111.4I152 V153 R158I152-V156 HydrophobicContact CG2-CG2 4.33Å; I152-V156 WeakPolarHBondContact O-CG2 3.32Å; I152-V156 PolarHBondContact O-N 2.77Å; V153-V156 PolarHBondContact O-N 3Å; V156-R158 PolarHBondContact O-N 3.12Å
157L93.1Very high94.6Very high35 Ų3566.1 Ų66.118%0.18331%0.311CS..PPolyproline II helixtrans-68.1128.4-171.9-170.566.1000111.6V3 L4 L7 R97 F98 V153V3-L157 HydrophobicContact CG1-CD1 3.96Å; V3-L157 HydrophobicContact CG1-CD2 4.25Å; L4-L157 HydrophobicContact CD2-CD2 3.42Å; L4-L157 VanDerWaalsContact CD2-CD2 3.42Å; L4-L157 HydrophobicContact CG-CD2 4.04Å; L7-L157 HydrophobicContact CD2-CD2 4.03Å; R97-L157 WeakPolarHBondContact CA-O 3.47Å; F98-L157 HydrophobicContact CD2-CB 4.37Å; F98-L157 HydrophobicContact CD2-CD2 4.32Å; F98-L157 HydrophobicContact CD2-CG 4.41Å; F98-L157 HydrophobicContact CE2-CD2 4.02Å; F98-L157 HydrophobicContact CE2-CG 4.19Å; V153-L157 HydrophobicContact CG1-CB 4.46Å; V153-L157 WeakPolarHBondContact O-CB 3.39Å; V153-L157 PolarHBondContact O-N 3.43Å
158R90.3Very high94.2Very high151 Ų15171.2 Ų71.257%0.5734%0.335SS*.BIsolated β-bridgetrans-101.8138.5172.5-64.3-175.9-176.9-171.21.9110.2R96 R97 V156 K160R96-R158 CarbonylContact O-C 3.53Å; R96-R158 WeakPolarHBondContact O-CA 3.37Å; R97-R158 HydrophobicContact CG-CG 3.85Å; V156-R158 PolarHBondContact O-N 3.12Å; R158-K160 PolarHBondContact O-N 2.96Å
159K86.6Confident93.9Very high35 Ų3568.6 Ų68.615%0.15233%0.326CS..PPolyproline II helixtrans-62.8128.3171.2-172.1171.8-179.7174.20109.5E88 L89 L92 G95 R96 F98E88-K159 PolarHBondContact O-NZ 3.46Å; L89-K159 VanDerWaalsContact O-CE 3.26Å; L89-K159 WeakPolarHBondContact O-CE 3.31Å; L89-K159 PolarHBondContact O-NZ 2.92Å; L92-K159 HydrophobicContact CB-CD 3.94Å; L92-K159 HydrophobicContact CD2-CB 4.34Å; L92-K159 HydrophobicContact CD2-CD 4.45Å; L92-K159 HydrophobicContact CG-CD 4.49Å; L92-K159 WeakPolarHBondContact O-CD 3.37Å; L92-K159 WeakPolarHBondContact O-CE 3.45Å; L92-K159 PolarHBondContact O-NZ 3.21Å; G95-K159 WeakPolarHBondContact CA-O 3.39Å; G95-K159 PolarHBondContact N-O 2.98Å; R96-K159 PolarHBondContact O-N 3.29Å; F98-K159 HydrophobicContact CZ-CB 4.29Å
160K81.8Confident93.5Very high221 Ų22166.6 Ų66.696%0.96131%0.313SS*.  trans-91.10174.6-65.5-167.4178.3-1700111K94 R158K94-K160 WeakPolarHBondContact CD-OXT 3.35Å; K94-K160 WeakPolarHBondContact CE-OXT 3.48Å; R158-K160 PolarHBondContact O-N 2.96Å

Retrieved 160 of 160 residues in 428.6 ms (Link to these results)

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