A0A077ZB64_TRITR Loading...

Zinc finger protein 268

Binds to the 5'-stem-loop of U4 snRNA and may play a role in the late stage of spliceosome assembly. The protein undergoes a conformational change upon RNA-binding. Common component of the spliceosome and rRNA processing machinery.

AlphaFold DB , UniProt , Accession A0A077ZB64, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 127 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.2Very low70.8Confident235 Ų23599.4 Ų99.4100%1.15854%0.543SS*.  0102.10-70.6158.981.600106.4E3M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.98Å
2T47.5Very low72.7Confident147 Ų14795.3 Ų95.390%0.90252%0.52SS*.  trans-65.397.8168.620.70000106.1A4T2-A4 PolarHBondContact O-N 3.09Å
3E54.5Low74.3Confident130 Ų13088.1 Ų88.161%0.60748%0.481SS*.  trans-50.5120.3171.7-77.5175.1155.700107.1M1 T5M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 2.98Å; E3-T5 PolarHBondContact O-N 3Å
4A57.7Low75.6Confident102 Ų10289.4 Ų89.484%0.84349%0.487SS*.  trans-63.588.5174.200000106.9T2 N6T2-A4 PolarHBondContact O-N 3.09Å; A4-N6 PolarHBondContact O-N 3Å; A4-N6 VanDerWaalsContact O-N 3.12Å
5T63Low76.7Confident70 Ų7089.3 Ų89.343%0.42949%0.49SS..  trans-60.6118.8173.742.30000106.8E3 I12E3-T5 PolarHBondContact O-N 3Å; T5-I12 HydrophobicContact CG2-CD1 4.26Å
6N76.5Confident77.8Confident45 Ų4591.7 Ų91.724%0.24150%0.502CS..  trans-57.8126.1-178.8-169.1-45000108.7A4 R8 A9 L62A4-N6 PolarHBondContact O-N 3Å; A4-N6 VanDerWaalsContact O-N 3.12Å; N6-R8 PolarHBondContact ND2-NH2 3.26Å; N6-R8 PolarHBondContact O-N 3.33Å; N6-R8 WeakPolarHBondContact OD1-CB 3.43Å; N6-R8 PolarHBondContact OD1-N 3.24Å; N6-R8 VanDerWaalsContact OD1-N 3.07Å; N6-R8 PolarHBondContact OD1-NE 3.44Å; N6-A9 WeakPolarHBondContact O-CB 3.22Å; N6-A9 PolarHBondContact O-N 3.19Å; N6-L62 HydrophobicContact CB-CD2 3.65Å; N6-L62 VanDerWaalsContact CG-CD2 3.43Å
7P78.8Confident78.8Confident122 Ų12286.8 Ų86.879%0.79248%0.475SS*.THydrogen-bonded Turntrans-61.4-16.3-177.424.7-34.9000113.2A9P7-A9 VanDerWaalsContact C-N 3.34Å
8R86.7Confident79.7Confident116 Ų11682.6 Ų82.644%0.43845%0.453SS..THydrogen-bonded Turntrans-78.3-14.6174.8-61.7-177.7-68175.41.8113.8N6 F10 L62 E63 L66N6-R8 PolarHBondContact ND2-NH2 3.26Å; N6-R8 PolarHBondContact O-N 3.33Å; N6-R8 WeakPolarHBondContact OD1-CB 3.43Å; N6-R8 PolarHBondContact OD1-N 3.24Å; N6-R8 VanDerWaalsContact OD1-N 3.07Å; N6-R8 PolarHBondContact OD1-NE 3.44Å; R8-F10 PolarHBondContact O-N 2.73Å; R8-L62 HydrophobicContact CB-CD2 3.93Å; R8-E63 IonicContact CZ-OE1 2.66Å; R8-E63 IonicContact NH1-OE1 3.64Å; R8-E63 PolarHBondContact NH1-OE1 3.34Å; R8-E63 IonicContact NH2-OE1 2.75Å; R8-E63 PolarHBondContact NH2-OE1 2.92Å; R8-E63 IonicContact NH2-OE2 2.69Å; R8-L66 HydrophobicContact CB-CD2 4.29Å
9A89.1Confident80.6Confident3 Ų383.7 Ų83.73%0.02546%0.455CS..SBendtrans-82.991.4171.800000108.2N6 P7 I12 A57 L62 F81N6-A9 WeakPolarHBondContact O-CB 3.22Å; N6-A9 PolarHBondContact O-N 3.19Å; P7-A9 VanDerWaalsContact C-N 3.34Å; A9-I12 WeakPolarHBondContact O-CD1 3.47Å; A9-I12 WeakPolarHBondContact O-CG1 3.32Å; A9-A57 HydrophobicContact CB-CB 3.88Å; A9-L62 HydrophobicContact CB-CD2 4.16Å; A9-F81 HydrophobicContact CB-CB 4.36Å; A9-F81 HydrophobicContact CB-CD1 3.72Å; A9-F81 HydrophobicContact CB-CD2 4.36Å; A9-F81 HydrophobicContact CB-CE1 4.02Å; A9-F81 HydrophobicContact CB-CG 3.9Å; A9-F81 HydrophobicContact CB-CZ 4.46Å
10F91.5Very high81.4Confident121 Ų12183.8 Ų83.853%0.53145%0.451SS..  trans-139.7140178.6178.4-93.1000109.4R8 Y79 F81 L126R8-F10 PolarHBondContact O-N 2.73Å; F10-Y79 WeakPolarHBondContact O-CE2 3.45Å; F10-F81 WeakPolarHBondContact O-CE2 3.28Å; F10-L126 HydrophobicContact CE1-CD2 3.9Å
11P94.6Very high82.1Confident2 Ų279.8 Ų79.81%0.01343%0.429CS..SBendcis-78.7145.8-5.232.2-34.5000112.5V80 F81 L125 L126P11-V80 WeakPolarHBondContact O-CG2 3.44Å; P11-F81 WeakPolarHBondContact O-CB 3.47Å; P11-F81 PolarHBondContact O-N 2.86Å; P11-L125 HydrophobicContact CB-CB 3.85Å; P11-L125 HydrophobicContact CB-CD1 4.26Å; P11-L125 HydrophobicContact CG-CB 4.49Å; P11-L126 HydrophobicContact CB-CD2 4.15Å; P11-L126 HydrophobicContact CG-CD2 3.71Å; P11-L126 HydrophobicContact CG-CG 4.31Å
12I92.9Very high84.8Confident51 Ų5169.7 Ų69.726%0.26238%0.38SS..BIsolated β-bridgetrans-96.1133175-62.3176000109.4T5 A9 F81T5-I12 HydrophobicContact CG2-CD1 4.26Å; A9-I12 WeakPolarHBondContact O-CD1 3.47Å; A9-I12 WeakPolarHBondContact O-CG1 3.32Å; I12-F81 WeakPolarHBondContact CA-O 3.36Å; I12-F81 HydrophobicContact CG1-CB 4.23Å
13A93.7Very high87.1Confident1 Ų166.4 Ų66.41%0.00836%0.357CS..PPolyproline II helixtrans-68.9133.3174.200000111.5L17 S18 L21 V80 F81A13-L17 HydrophobicContact CB-CB 4.31Å; A13-L17 HydrophobicContact CB-CD2 4.06Å; A13-L17 HydrophobicContact CB-CG 4.13Å; A13-S18 WeakPolarHBondContact CB-OG 3.38Å; A13-S18 PolarHBondContact O-OG 3.25Å; A13-L21 HydrophobicContact CB-CD1 3.89Å; A13-V80 HydrophobicContact CB-CG2 3.68Å; A13-F81 PolarHBondContact N-O 2.81Å
14D92.8Very high89.1Confident106 Ų10660.3 Ų60.357%0.56733%0.328SS*.PPolyproline II helixtrans-57.1163.8165.9-72.1-31.2000111.6N16 L17 S18D14-N16 VanDerWaalsContact C-N 3.28Å; D14-N16 PolarHBondContact O-N 3.24Å; D14-L17 PolarHBondContact O-N 2.99Å; D14-S18 VanDerWaalsContact O-CB 3.23Å; D14-S18 WeakPolarHBondContact O-CB 3.44Å; D14-S18 PolarHBondContact O-N 2.87Å; D14-S18 PolarHBondContact O-OG 2.93Å
15V92.5Very high90.9Very high89 Ų8955.5 Ų55.554%0.53929%0.288SS..Hα-helixtrans-57.3-43-180-1790000111.3S18 Q19V15-S18 PolarHBondContact O-N 3.06Å; V15-Q19 WeakPolarHBondContact O-CG 3.35Å; V15-Q19 PolarHBondContact O-N 3.25Å; V15-Q19 VanDerWaalsContact O-N 3.16Å
16N94.4Very high92.4Very high127 Ų12757.2 Ų57.268%0.67929%0.292SS*.Hα-helixtrans-66.7-46.4180-66.8-28000112.2D14 S18 Q19 K20D14-N16 VanDerWaalsContact C-N 3.28Å; D14-N16 PolarHBondContact O-N 3.24Å; N16-S18 VanDerWaalsContact C-N 3.34Å; N16-Q19 PolarHBondContact O-N 3.38Å; N16-K20 WeakPolarHBondContact O-CG 3.32Å; N16-K20 PolarHBondContact O-N 2.85Å
17L94.6Very high93.3Very high8 Ų858.6 Ų58.64%0.04230%0.297CS..Hα-helixtrans-66.4-39.117817961.1000111.2A13 D14 Q19 K20 L21 I118 E121 M122 L125A13-L17 HydrophobicContact CB-CB 4.31Å; A13-L17 HydrophobicContact CB-CD2 4.06Å; A13-L17 HydrophobicContact CB-CG 4.13Å; D14-L17 PolarHBondContact O-N 2.99Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 3.32Å; L17-K20 PolarHBondContact O-N 3.31Å; L17-L21 HydrophobicContact CD1-CD1 4.29Å; L17-L21 HydrophobicContact CD1-CG 4.23Å; L17-L21 HydrophobicContact CD2-CD1 4.47Å; L17-L21 HydrophobicContact CG-CD1 3.84Å; L17-L21 HydrophobicContact CG-CG 4.29Å; L17-L21 WeakPolarHBondContact O-CB 2.99Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.46Å; L17-L21 PolarHBondContact O-N 3.13Å; L17-I118 HydrophobicContact CD1-CG2 4.48Å; L17-E121 HydrophobicContact CD1-CB 3.88Å; L17-M122 HydrophobicContact CD2-CG 4.41Å; L17-L125 HydrophobicContact CD2-CD1 3.68Å; L17-L125 HydrophobicContact CD2-CG 4.32Å
18S95.5Very high94Very high12 Ų1252.8 Ų52.88%0.08426%0.259CS..Hα-helixtrans-56.6-45175.7-66.70000111.5A13 D14 V15 N16 L21 L22A13-S18 WeakPolarHBondContact CB-OG 3.38Å; A13-S18 PolarHBondContact O-OG 3.25Å; D14-S18 VanDerWaalsContact O-CB 3.23Å; D14-S18 WeakPolarHBondContact O-CB 3.44Å; D14-S18 PolarHBondContact O-N 2.87Å; D14-S18 PolarHBondContact O-OG 2.93Å; V15-S18 PolarHBondContact O-N 3.06Å; N16-S18 VanDerWaalsContact C-N 3.34Å; S18-L21 PolarHBondContact O-N 3.2Å; S18-L22 VanDerWaalsContact O-CG 3.23Å; S18-L22 WeakPolarHBondContact O-CG 3.29Å; S18-L22 PolarHBondContact O-N 2.85Å
19Q95.9Very high94.3Very high104 Ų10449.9 Ų49.949%0.48625%0.251SS..Hα-helixtrans-64.3-47.3176.8-64.7-58.2-19.800111.7V15 N16 L17 L21 L22 D23V15-Q19 WeakPolarHBondContact O-CG 3.35Å; V15-Q19 PolarHBondContact O-N 3.25Å; V15-Q19 VanDerWaalsContact O-N 3.16Å; N16-Q19 PolarHBondContact O-N 3.38Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 3.32Å; Q19-L21 VanDerWaalsContact C-N 3.26Å; Q19-L21 PolarHBondContact O-N 3.41Å; Q19-L22 PolarHBondContact O-N 3.19Å; Q19-L22 VanDerWaalsContact O-N 3.13Å; Q19-D23 VanDerWaalsContact O-CG 3.32Å; Q19-D23 PolarHBondContact O-N 3.12Å
20K96.3Very high94.5Very high84 Ų8454 Ų5437%0.36528%0.279SS..Hα-helixtrans-56.9-39.1176.1-68.1177.1-175.81730112.7N16 L17 L24 I118 E121N16-K20 WeakPolarHBondContact O-CG 3.32Å; N16-K20 PolarHBondContact O-N 2.85Å; L17-K20 PolarHBondContact O-N 3.31Å; K20-L24 WeakPolarHBondContact O-CB 3.32Å; K20-L24 PolarHBondContact O-N 2.91Å; K20-I118 HydrophobicContact CB-CD1 4.24Å; K20-E121 IonicContact NZ-OE1 3.15Å; K20-E121 PolarHBondContact NZ-OE1 3.4Å; K20-E121 IonicContact NZ-OE2 2.77Å; K20-E121 PolarHBondContact NZ-OE2 3.26Å
21L96.2Very high94.5Very high0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-66.2-46.3176.5-75.3163.1000111.5A13 L17 S18 Q19 D23 L24 I25 V54 V80 V82 I118 M122A13-L21 HydrophobicContact CB-CD1 3.89Å; L17-L21 HydrophobicContact CD1-CD1 4.29Å; L17-L21 HydrophobicContact CD1-CG 4.23Å; L17-L21 HydrophobicContact CD2-CD1 4.47Å; L17-L21 HydrophobicContact CG-CD1 3.84Å; L17-L21 HydrophobicContact CG-CG 4.29Å; L17-L21 WeakPolarHBondContact O-CB 2.99Å; L17-L21 VanDerWaalsContact O-CG 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.46Å; L17-L21 PolarHBondContact O-N 3.13Å; S18-L21 PolarHBondContact O-N 3.2Å; Q19-L21 VanDerWaalsContact C-N 3.26Å; Q19-L21 PolarHBondContact O-N 3.41Å; L21-D23 VanDerWaalsContact C-N 3.35Å; L21-L24 PolarHBondContact O-N 3.17Å; L21-I25 WeakPolarHBondContact O-CB 3.35Å; L21-I25 WeakPolarHBondContact O-CD1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.5Å; L21-I25 PolarHBondContact O-N 3.28Å; L21-V54 HydrophobicContact CD2-CG2 3.97Å; L21-V80 HydrophobicContact CD1-CG1 3.46Å; L21-V80 VanDerWaalsContact CD1-CG1 3.46Å; L21-V80 HydrophobicContact CD2-CG1 4.25Å; L21-V82 HydrophobicContact CD1-CG1 4.3Å; L21-I118 HydrophobicContact CD2-CG2 3.45Å; L21-I118 VanDerWaalsContact CD2-CG2 3.45Å; L21-I118 HydrophobicContact CG-CG2 4.26Å; L21-M122 HydrophobicContact CD2-SD 4.07Å
22L96.3Very high94.3Very high24 Ų2463.1 Ų63.113%0.12631%0.313CS..Hα-helixtrans-63.7-41.4178.4-67172.4000111.3S18 Q19 I25 Q26 A87 L88 A91S18-L22 VanDerWaalsContact O-CG 3.23Å; S18-L22 WeakPolarHBondContact O-CG 3.29Å; S18-L22 PolarHBondContact O-N 2.85Å; Q19-L22 PolarHBondContact O-N 3.19Å; Q19-L22 VanDerWaalsContact O-N 3.13Å; L22-I25 PolarHBondContact O-N 3.49Å; L22-Q26 PolarHBondContact O-N 3.09Å; L22-A87 HydrophobicContact CD1-CB 4.15Å; L22-L88 HydrophobicContact CD2-CD1 4.25Å; L22-A91 HydrophobicContact CB-CB 4.05Å; L22-A91 HydrophobicContact CD2-CB 3.64Å; L22-A91 HydrophobicContact CG-CB 4.44Å
23D96Very high94.4Very high78 Ų7861.2 Ų61.242%0.41730%0.303SS..Hα-helixtrans-63.5-43.6174.6-68.3-22.9000111.5Q19 L21 I25 Q26 Q27Q19-D23 VanDerWaalsContact O-CG 3.32Å; Q19-D23 PolarHBondContact O-N 3.12Å; L21-D23 VanDerWaalsContact C-N 3.35Å; D23-I25 VanDerWaalsContact C-N 3.34Å; D23-I25 PolarHBondContact O-N 2.74Å; D23-Q26 PolarHBondContact O-N 3.34Å; D23-Q27 WeakPolarHBondContact O-CG 3.25Å; D23-Q27 PolarHBondContact O-N 3.45Å
24L95.3Very high94.4Very high1 Ų161.8 Ų61.81%0.00531%0.306CS..Hα-helixtrans-60.2-45.1174.9175.568.2000111.1K20 L21 Q26 Q27 A28 L52 V103 L111 Q114 I115 I118K20-L24 WeakPolarHBondContact O-CB 3.32Å; K20-L24 PolarHBondContact O-N 2.91Å; L21-L24 PolarHBondContact O-N 3.17Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 2.69Å; L24-Q27 PolarHBondContact O-N 2.89Å; L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.43Å; L24-L52 HydrophobicContact CD2-CD2 3.85Å; L24-V103 HydrophobicContact CD2-CG2 4.43Å; L24-L111 HydrophobicContact CD1-CB 4.47Å; L24-L111 HydrophobicContact CD1-CD1 4.45Å; L24-Q114 HydrophobicContact CD1-CB 4.44Å; L24-Q114 HydrophobicContact CD1-CG 4.09Å; L24-I115 HydrophobicContact CD1-CG1 3.81Å; L24-I115 HydrophobicContact CD2-CG1 4.06Å; L24-I118 HydrophobicContact CB-CD1 3.75Å; L24-I118 HydrophobicContact CD2-CD1 3.68Å; L24-I118 HydrophobicContact CD2-CG2 4.45Å; L24-I118 HydrophobicContact CG-CD1 4.18Å
25I96.1Very high94.6Very high1 Ų160.8 Ų60.81%0.00530%0.296CS..Hα-helixtrans-61.5-41.8179-71.3161.6000110.4L21 L22 D23 Q27 A28 M29 M34 V54 L88 A91 C101L21-I25 WeakPolarHBondContact O-CB 3.35Å; L21-I25 WeakPolarHBondContact O-CD1 3.31Å; L21-I25 WeakPolarHBondContact O-CG1 3.5Å; L21-I25 PolarHBondContact O-N 3.28Å; L22-I25 PolarHBondContact O-N 3.49Å; D23-I25 VanDerWaalsContact C-N 3.34Å; D23-I25 PolarHBondContact O-N 2.74Å; I25-Q27 VanDerWaalsContact C-N 3.34Å; I25-Q27 PolarHBondContact O-N 3.36Å; I25-A28 PolarHBondContact O-N 2.85Å; I25-M29 WeakPolarHBondContact O-CB 3.49Å; I25-M29 PolarHBondContact O-N 3.44Å; I25-M34 HydrophobicContact CG2-CE 3.79Å; I25-M34 HydrophobicContact CG2-SD 4.11Å; I25-V54 HydrophobicContact CD1-CB 4.13Å; I25-V54 HydrophobicContact CD1-CG1 4.22Å; I25-V54 HydrophobicContact CD1-CG2 3.99Å; I25-L88 HydrophobicContact CD1-CD1 3.56Å; I25-A91 HydrophobicContact CB-CB 4.23Å; I25-A91 HydrophobicContact CG2-CB 3.96Å; I25-C101 VanDerWaalsContact CD1-SG 3.57Å
26Q95.4Very high94.8Very high107 Ų10761.2 Ų61.250%0.529%0.288SS..Hα-helixtrans-63.1-40.9176.9-172.7176.26.500111.8L22 D23 L24 M29 C30 A91L22-Q26 PolarHBondContact O-N 3.09Å; D23-Q26 PolarHBondContact O-N 3.34Å; L24-Q26 VanDerWaalsContact C-N 3.3Å; L24-Q26 PolarHBondContact O-N 2.69Å; Q26-M29 WeakPolarHBondContact O-CB 3.41Å; Q26-M29 PolarHBondContact O-N 3.32Å; Q26-C30 PolarHBondContact O-N 3.09Å; Q26-C30 PolarHBondContact O-SG 2.93Å; Q26-A91 WeakPolarHBondContact CA-O 3.32Å
27Q94.4Very high94.9Very high74 Ų7456.2 Ų56.235%0.34627%0.266SS..Hα-helixtrans-66.8-46.4174.4-67.5177.357.500111.6D23 L24 I25 M29 C30 H31 L111D23-Q27 WeakPolarHBondContact O-CG 3.25Å; D23-Q27 PolarHBondContact O-N 3.45Å; L24-Q27 PolarHBondContact O-N 2.89Å; I25-Q27 VanDerWaalsContact C-N 3.34Å; I25-Q27 PolarHBondContact O-N 3.36Å; Q27-M29 PolarHBondContact O-N 3.25Å; Q27-C30 WeakPolarHBondContact O-CB 3.4Å; Q27-C30 PolarHBondContact O-N 3.49Å; Q27-C30 VanDerWaalsContact O-N 3.07Å; Q27-H31 PolarHBondContact O-CD2 3.39Å; Q27-H31 PolarHBondContact O-N 2.96Å; Q27-H31 VanDerWaalsContact O-N 3.11Å; Q27-L111 HydrophobicContact CB-CD1 4.08Å; Q27-L111 HydrophobicContact CB-CD2 3.82Å; Q27-L111 VanDerWaalsContact OE1-CD2 3.24Å
28A94.6Very high94.9Very high0 Ų056.3 Ų56.30%027%0.268CS..Hα-helixtrans-60.5-31.4177.700000112L24 I25 H31 R32 Q33 M34 V103 L111L24-A28 WeakPolarHBondContact O-CB 3.3Å; L24-A28 PolarHBondContact O-N 3.43Å; I25-A28 PolarHBondContact O-N 2.85Å; A28-H31 CarbonylContact O-C 3.59Å; A28-H31 PolarHBondContact O-N 3.23Å; A28-R32 PolarHBondContact O-N 3.35Å; A28-R32 VanDerWaalsContact O-N 3.08Å; A28-Q33 HydrophobicContact CB-CB 4.43Å; A28-Q33 PolarHBondContact O-N 3.27Å; A28-M34 HydrophobicContact CB-CB 4.17Å; A28-V103 HydrophobicContact CB-CG1 4.26Å; A28-V103 HydrophobicContact CB-CG2 4.28Å; A28-L111 HydrophobicContact CB-CD1 4.06Å
29M93.2Very high95Very high54 Ų5461.6 Ų61.627%0.26630%0.296SS..Hα-helixtrans-60.6-50.3172.3-171.9-84.4-65.400111.7I25 Q26 Q27 H31 R32 M34 R36I25-M29 WeakPolarHBondContact O-CB 3.49Å; I25-M29 PolarHBondContact O-N 3.44Å; Q26-M29 WeakPolarHBondContact O-CB 3.41Å; Q26-M29 PolarHBondContact O-N 3.32Å; Q27-M29 PolarHBondContact O-N 3.25Å; M29-H31 VanDerWaalsContact C-N 3.27Å; M29-H31 PolarHBondContact O-N 3.19Å; M29-R32 PolarHBondContact O-N 3.02Å; M29-R32 VanDerWaalsContact O-N 3.12Å; M29-M34 HydrophobicContact CB-CG 4.43Å; M29-M34 HydrophobicContact CB-SD 3.53Å; M29-M34 VanDerWaalsContact CB-SD 3.53Å; M29-M34 HydrophobicContact CG-SD 3.99Å; M29-R36 VanDerWaalsContact CG-NH2 3.29Å
30C91.9Very high95Very high90 Ų9060.2 Ų60.261%0.60829%0.289SS*.Hα-helixtrans-61.1-35.9177.8-65.40000112.3Q26 Q27 R32Q26-C30 PolarHBondContact O-N 3.09Å; Q26-C30 PolarHBondContact O-SG 2.93Å; Q27-C30 WeakPolarHBondContact O-CB 3.4Å; Q27-C30 PolarHBondContact O-N 3.49Å; Q27-C30 VanDerWaalsContact O-N 3.07Å; C30-R32 VanDerWaalsContact C-N 3.33Å
31H91.4Very high95.1Very high92 Ų9256.2 Ų56.243%0.42627%0.272SS..THydrogen-bonded Turntrans-862.9178.2-66.2-67.6000114.5Q27 A28 M29 Q33Q27-H31 PolarHBondContact O-CD2 3.39Å; Q27-H31 PolarHBondContact O-N 2.96Å; Q27-H31 VanDerWaalsContact O-N 3.11Å; A28-H31 CarbonylContact O-C 3.59Å; A28-H31 PolarHBondContact O-N 3.23Å; M29-H31 VanDerWaalsContact C-N 3.27Å; M29-H31 PolarHBondContact O-N 3.19Å; H31-Q33 HydrophobicContact CB-CG 4.18Å; H31-Q33 PolarHBondContact O-N 3.49Å
32R91.4Very high95.2Very high223 Ų22357.5 Ų57.584%0.84228%0.28SS*.THydrogen-bonded Turntrans55.930.1-175.1-55.6-178.9-177.6-95.30.5113.8A28 M29 C30A28-R32 PolarHBondContact O-N 3.35Å; A28-R32 VanDerWaalsContact O-N 3.08Å; M29-R32 PolarHBondContact O-N 3.02Å; M29-R32 VanDerWaalsContact O-N 3.12Å; C30-R32 VanDerWaalsContact C-N 3.33Å
33Q94.2Very high95.2Very high10 Ų1061.1 Ų61.15%0.04730%0.295CS..  trans-103.935-178.1-73166-5.100112.2A28 H31 V103 T104 N106A28-Q33 HydrophobicContact CB-CB 4.43Å; A28-Q33 PolarHBondContact O-N 3.27Å; H31-Q33 HydrophobicContact CB-CG 4.18Å; H31-Q33 PolarHBondContact O-N 3.49Å; Q33-V103 WeakPolarHBondContact O-CA 3.35Å; Q33-V103 WeakPolarHBondContact O-CG1 3.37Å; Q33-T104 WeakPolarHBondContact CA-OG1 3.39Å; Q33-T104 PolarHBondContact O-N 2.87Å; Q33-T104 PolarHBondContact O-OG1 3.45Å; Q33-N106 HydrophobicContact CG-CB 3.83Å; Q33-N106 PolarHBondContact NE2-ND2 3.01Å
34M95.2Very high95.3Very high14 Ų1457.4 Ų57.47%0.06928%0.275CS..EExtended strand (participates in β ladder)trans-146.2156.2178.166.5162.7-5000112.7I25 A28 M29 R36 C92 C101 S102I25-M34 HydrophobicContact CG2-CE 3.79Å; I25-M34 HydrophobicContact CG2-SD 4.11Å; A28-M34 HydrophobicContact CB-CB 4.17Å; M29-M34 HydrophobicContact CB-CG 4.43Å; M29-M34 HydrophobicContact CB-SD 3.53Å; M29-M34 VanDerWaalsContact CB-SD 3.53Å; M29-M34 HydrophobicContact CG-SD 3.99Å; M34-R36 HydrophobicContact CE-CG 3.5Å; M34-R36 VanDerWaalsContact CE-CG 3.5Å; M34-R36 HydrophobicContact SD-CG 4.43Å; M34-C92 HydrophobicContact CE-CB 4.13Å; M34-C92 VanDerWaalsContact CE-SG 3.57Å; M34-C101 HydrophobicContact CE-CB 3.98Å; M34-S102 CarbonylContact C-O 3.47Å; M34-S102 WeakPolarHBondContact CA-O 3.36Å
35K97Very high95.4Very high84 Ų8457.5 Ų57.537%0.36528%0.275SS..EExtended strand (participates in β ladder)trans-121.7147.1170.4-57.3-63.1177.7-1750109.8E40 A44 C101 S102 T104K35-E40 HydrophobicContact CB-CB 4.12Å; K35-A44 HydrophobicContact CG-CB 4.18Å; K35-C101 CarbonylContact O-C 3.48Å; K35-C101 VanDerWaalsContact O-CA 3.24Å; K35-C101 WeakPolarHBondContact O-CA 3.39Å; K35-C101 VanDerWaalsContact O-CB 3.29Å; K35-C101 WeakPolarHBondContact O-CB 3.42Å; K35-S102 PolarHBondContact N-O 2.87Å; K35-S102 PolarHBondContact O-N 3.09Å; K35-T104 HydrophobicContact CG-CG2 3.87Å
36R95.3Very high95.4Very high98 Ų9862.1 Ų62.137%0.3730%0.3SS..EExtended strand (participates in β ladder)trans-124.5134.2-169.9-58.8171.2-157.11728.4109.8M29 M34 E40 C92 I98M29-R36 VanDerWaalsContact CG-NH2 3.29Å; M34-R36 HydrophobicContact CE-CG 3.5Å; M34-R36 VanDerWaalsContact CE-CG 3.5Å; M34-R36 HydrophobicContact SD-CG 4.43Å; R36-E40 WeakPolarHBondContact O-CB 3.48Å; R36-C92 HydrophobicContact CG-CB 4.21Å; R36-C92 PolarHBondContact NE-O 2.86Å; R36-C92 PolarHBondContact NH1-O 3.29Å; R36-C92 VanDerWaalsContact NH1-O 3.11Å; R36-I98 HydrophobicContact CB-CD1 3.98Å; R36-I98 HydrophobicContact CG-CD1 4.2Å
37G96Very high95.5Very high22 Ų2265.5 Ų65.523%0.22731%0.308CS..SBendtrans92.3153.2-179.400000113N39 E40 T41 A100G37-N39 PolarHBondContact O-N 3.39Å; G37-E40 PolarHBondContact O-N 3.41Å; G37-T41 PolarHBondContact O-N 3.47Å; G37-T41 PolarHBondContact O-OG1 2.9Å; G37-A100 WeakPolarHBondContact CA-O 3.23Å; G37-A100 PolarHBondContact N-O 3.36Å
38A96.1Very high95.5Very high10 Ų1064.9 Ų64.98%0.08332%0.321CS..Hα-helixtrans-55.2-51.9-175.800000112.2E40 T41 T42 L68 I99 A100A38-E40 VanDerWaalsContact C-N 3.34Å; A38-E40 PolarHBondContact O-N 3.08Å; A38-T41 WeakPolarHBondContact O-CB 3.36Å; A38-T41 PolarHBondContact O-N 3.06Å; A38-T42 PolarHBondContact O-N 3.43Å; A38-T42 PolarHBondContact O-OG1 3.38Å; A38-L68 HydrophobicContact CB-CD1 4.29Å; A38-I99 HydrophobicContact CB-CD1 4.02Å; A38-I99 HydrophobicContact CB-CG1 4.41Å; A38-A100 HydrophobicContact CB-CB 4.46Å
39N96.5Very high95.5Very high123 Ų12367.9 Ų67.966%0.65834%0.336SS*.Hα-helixtrans-59.9-40.7-178.3-67.2-16.8000113.5G37 T42 K43G37-N39 PolarHBondContact O-N 3.39Å; N39-T42 PolarHBondContact O-N 2.94Å; N39-K43 WeakPolarHBondContact O-CG 3.24Å; N39-K43 PolarHBondContact O-N 3.47Å
40E97.2Very high95.7Very high75 Ų7565.7 Ų65.735%0.3533%0.327SS..Hα-helixtrans-73.9-33.5-179.9-67.1-58.6125.500111.6K35 R36 G37 A38 K43 A44K35-E40 HydrophobicContact CB-CB 4.12Å; R36-E40 WeakPolarHBondContact O-CB 3.48Å; G37-E40 PolarHBondContact O-N 3.41Å; A38-E40 VanDerWaalsContact C-N 3.34Å; A38-E40 PolarHBondContact O-N 3.08Å; E40-K43 PolarHBondContact O-N 2.99Å; E40-K43 IonicContact OE1-NZ 2.77Å; E40-K43 PolarHBondContact OE1-NZ 3.04Å; E40-A44 WeakPolarHBondContact O-CB 3.28Å; E40-A44 PolarHBondContact O-N 3.38Å
41T97.9Very high95.8Very high0 Ų062.6 Ų62.60%030%0.303CS..Hα-helixtrans-63.9-45.7169.3-67.80000111.4G37 A38 K43 A44 L45 V53 L68 S102G37-T41 PolarHBondContact O-N 3.47Å; G37-T41 PolarHBondContact O-OG1 2.9Å; A38-T41 WeakPolarHBondContact O-CB 3.36Å; A38-T41 PolarHBondContact O-N 3.06Å; T41-K43 VanDerWaalsContact C-N 3.33Å; T41-K43 PolarHBondContact O-N 3.4Å; T41-A44 PolarHBondContact O-N 3.21Å; T41-A44 VanDerWaalsContact O-N 3.13Å; T41-L45 HydrophobicContact CG2-CD1 3.99Å; T41-L45 WeakPolarHBondContact O-CG 3.13Å; T41-L45 PolarHBondContact O-N 2.85Å; T41-V53 HydrophobicContact CG2-CB 4.47Å; T41-V53 HydrophobicContact CG2-CG1 3.75Å; T41-V53 HydrophobicContact CG2-CG2 3.86Å; T41-L68 HydrophobicContact CG2-CD1 4.32Å; T41-L68 HydrophobicContact CG2-CD2 3.97Å; T41-S102 PolarHBondContact OG1-N 3.13Å
42T97.6Very high96Very high28 Ų2858.2 Ų58.217%0.17228%0.283CS..Hα-helixtrans-58-44.1175-51.50000111.3A38 N39 L45 N46 H67 L68 L71A38-T42 PolarHBondContact O-N 3.43Å; A38-T42 PolarHBondContact O-OG1 3.38Å; N39-T42 PolarHBondContact O-N 2.94Å; T42-L45 PolarHBondContact O-N 2.86Å; T42-N46 VanDerWaalsContact O-CB 3.32Å; T42-N46 WeakPolarHBondContact O-CB 3.33Å; T42-N46 VanDerWaalsContact O-CG 3.24Å; T42-N46 PolarHBondContact O-N 3.44Å; T42-N46 PolarHBondContact O-ND2 2.89Å; T42-H67 PolarHBondContact OG1-NE2 3.29Å; T42-L68 WeakPolarHBondContact OG1-CD2 3.27Å; T42-L71 HydrophobicContact CG2-CD2 3.8Å
43K97.7Very high96.3Very high99 Ų9947.6 Ų47.643%0.4324%0.243SC..Hα-helixtrans-63.4-41.8174.8-73.3174.7-170.2167.70112.4N39 E40 T41 N46 R47N39-K43 WeakPolarHBondContact O-CG 3.24Å; N39-K43 PolarHBondContact O-N 3.47Å; E40-K43 PolarHBondContact O-N 2.99Å; E40-K43 IonicContact OE1-NZ 2.77Å; E40-K43 PolarHBondContact OE1-NZ 3.04Å; T41-K43 VanDerWaalsContact C-N 3.33Å; T41-K43 PolarHBondContact O-N 3.4Å; K43-N46 PolarHBondContact O-N 2.86Å; K43-R47 WeakPolarHBondContact O-CB 3.37Å; K43-R47 VanDerWaalsContact O-CG 3.3Å; K43-R47 WeakPolarHBondContact O-CG 3.42Å; K43-R47 PolarHBondContact O-N 3.41Å
44A97.5Very high96.5Very high1 Ų147.1 Ų47.11%0.00824%0.241CC..Hα-helixtrans-64.2-42.9178.800000111.7K35 E40 T41 R47 G48 M49 A50K35-A44 HydrophobicContact CG-CB 4.18Å; E40-A44 WeakPolarHBondContact O-CB 3.28Å; E40-A44 PolarHBondContact O-N 3.38Å; T41-A44 PolarHBondContact O-N 3.21Å; T41-A44 VanDerWaalsContact O-N 3.13Å; A44-R47 PolarHBondContact O-N 2.87Å; A44-G48 PolarHBondContact O-N 2.92Å; A44-M49 PolarHBondContact O-N 3.07Å; A44-A50 HydrophobicContact CB-CB 4.03Å; A44-A50 PolarHBondContact O-N 2.9Å
45L97.2Very high96.6Very high2 Ų246.5 Ų46.51%0.0124%0.238CC..Hα-helixtrans-60.8-46.8171.4-72.6164.5000111T41 T42 R47 G48 A50 V53 L68 L71 K75 V77T41-L45 HydrophobicContact CG2-CD1 3.99Å; T41-L45 WeakPolarHBondContact O-CG 3.13Å; T41-L45 PolarHBondContact O-N 2.85Å; T42-L45 PolarHBondContact O-N 2.86Å; L45-R47 PolarHBondContact O-N 2.96Å; L45-G48 PolarHBondContact O-N 3.25Å; L45-A50 HydrophobicContact CD2-CB 3.88Å; L45-A50 HydrophobicContact CG-CB 4.06Å; L45-V53 HydrophobicContact CD1-CG2 4.23Å; L45-V53 HydrophobicContact CD2-CG2 4.08Å; L45-V53 HydrophobicContact CG-CG2 4.32Å; L45-L68 HydrophobicContact CD1-CD2 3.98Å; L45-L71 HydrophobicContact CB-CD2 3.78Å; L45-L71 HydrophobicContact CB-CG 4.08Å; L45-L71 HydrophobicContact CD1-CB 4.39Å; L45-L71 HydrophobicContact CD1-CD2 3.76Å; L45-L71 HydrophobicContact CD1-CG 4.02Å; L45-L71 HydrophobicContact CG-CD2 4.42Å; L45-K75 HydrophobicContact CB-CD 4.17Å; L45-K75 VanDerWaalsContact O-CD 3.22Å; L45-K75 WeakPolarHBondContact O-CD 3.43Å; L45-K75 PolarHBondContact O-NZ 2.87Å; L45-V77 HydrophobicContact CD2-CB 3.83Å; L45-V77 HydrophobicContact CD2-CG1 3.86Å; L45-V77 HydrophobicContact CD2-CG2 3.84Å
46N96.5Very high96.6Very high99 Ų9942.5 Ų42.553%0.52922%0.22SC..Hα-helixtrans-59.9-27.4176.5-73.1-16.2000114.9T42 K43 K75T42-N46 VanDerWaalsContact O-CB 3.32Å; T42-N46 WeakPolarHBondContact O-CB 3.33Å; T42-N46 VanDerWaalsContact O-CG 3.24Å; T42-N46 PolarHBondContact O-N 3.44Å; T42-N46 PolarHBondContact O-ND2 2.89Å; K43-N46 PolarHBondContact O-N 2.86Å; N46-K75 PolarHBondContact OD1-NZ 2.96Å
47R96.2Very high96.6Very high178 Ų17838.2 Ų38.267%0.67221%0.206SC*.THydrogen-bonded Turntrans-94.92.6176.9-66.8173-180-168.60.8113.6K43 A44 L45 M49K43-R47 WeakPolarHBondContact O-CB 3.37Å; K43-R47 VanDerWaalsContact O-CG 3.3Å; K43-R47 WeakPolarHBondContact O-CG 3.42Å; K43-R47 PolarHBondContact O-N 3.41Å; A44-R47 PolarHBondContact O-N 2.87Å; L45-R47 PolarHBondContact O-N 2.96Å; R47-M49 HydrophobicContact CB-CE 3.89Å; R47-M49 HydrophobicContact CB-CG 3.89Å; R47-M49 HydrophobicContact CB-SD 4.23Å; R47-M49 HydrophobicContact CG-CE 4.41Å; R47-M49 PolarHBondContact O-N 2.72Å
48G94.8Very high96.5Very high60 Ų6039.1 Ų39.162%0.61921%0.206SC*.THydrogen-bonded Turntrans63.821.9-175.800000113.6A44 L45A44-G48 PolarHBondContact O-N 2.92Å; L45-G48 PolarHBondContact O-N 3.25Å
49M95.3Very high96.5Very high63 Ų6339 Ų3931%0.3120%0.204SC..  trans-95-17.3-177.8-62.8-174.1-51.500112.7A44 R47 T104 V105A44-M49 PolarHBondContact O-N 3.07Å; R47-M49 HydrophobicContact CB-CE 3.89Å; R47-M49 HydrophobicContact CB-CG 3.89Å; R47-M49 HydrophobicContact CB-SD 4.23Å; R47-M49 HydrophobicContact CG-CE 4.41Å; R47-M49 PolarHBondContact O-N 2.72Å; M49-T104 CarbonylContact O-C 3.58Å; M49-T104 WeakPolarHBondContact O-CA 3.41Å; M49-T104 WeakPolarHBondContact O-CB 3.45Å; M49-V105 PolarHBondContact O-N 3.31Å
50A96.8Very high96.3Very high8 Ų840.7 Ų40.77%0.06621%0.208CC..EExtended strand (participates in β ladder)trans-82.1127.5-177.500000110.9A44 L45 V77A44-A50 HydrophobicContact CB-CB 4.03Å; A44-A50 PolarHBondContact O-N 2.9Å; L45-A50 HydrophobicContact CD2-CB 3.88Å; L45-A50 HydrophobicContact CG-CB 4.06Å; A50-V77 WeakPolarHBondContact O-CG2 3.2Å
51E94.7Very high96.1Very high25 Ų2539.9 Ų39.912%0.11721%0.209CC..EExtended strand (participates in β ladder)trans-94.3-35.6176.6-79-155.493.700113.3V103 V105 I115 K119E51-V103 PolarHBondContact N-O 3.06Å; E51-V105 HydrophobicContact CG-CB 4.05Å; E51-V105 HydrophobicContact CG-CG1 3.18Å; E51-I115 HydrophobicContact CB-CG2 4.43Å; E51-K119 WeakPolarHBondContact O-CE 3.5Å; E51-K119 PolarHBondContact O-NZ 3.22Å; E51-K119 IonicContact OE1-NZ 2.74Å; E51-K119 PolarHBondContact OE1-NZ 3.28Å
52L96.3Very high95.8Very high1 Ų140 Ų401%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-151.9157.4174.364.984000109.4L24 V54 P78 S102 V103 I115 I118 K119 M122L24-L52 HydrophobicContact CD2-CD2 3.85Å; L52-V54 HydrophobicContact CD1-CG2 3.93Å; L52-P78 CarbonylContact C-O 3.52Å; L52-P78 VanDerWaalsContact CA-O 3.28Å; L52-P78 WeakPolarHBondContact CA-O 3.33Å; L52-S102 VanDerWaalsContact O-CA 3.27Å; L52-S102 WeakPolarHBondContact O-CA 3.48Å; L52-V103 HydrophobicContact CD1-CB 4.06Å; L52-V103 HydrophobicContact CD1-CG2 3.68Å; L52-V103 HydrophobicContact CG-CB 3.97Å; L52-V103 HydrophobicContact CG-CG2 4.11Å; L52-V103 PolarHBondContact O-N 2.78Å; L52-I115 HydrophobicContact CD2-CG2 4.1Å; L52-I118 HydrophobicContact CD2-CG2 4.36Å; L52-K119 HydrophobicContact CD2-CG 4.41Å; L52-M122 HydrophobicContact CB-CE 4.37Å; L52-M122 HydrophobicContact CB-SD 4.43Å
53V97.8Very high95.6Very high0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-127137.1-179.1176.60000110.4T41 L45 L55 V77 P78 Y79 V80T41-V53 HydrophobicContact CG2-CB 4.47Å; T41-V53 HydrophobicContact CG2-CG1 3.75Å; T41-V53 HydrophobicContact CG2-CG2 3.86Å; L45-V53 HydrophobicContact CD1-CG2 4.23Å; L45-V53 HydrophobicContact CD2-CG2 4.08Å; L45-V53 HydrophobicContact CG-CG2 4.32Å; V53-L55 HydrophobicContact CG1-CD2 3.63Å; V53-L55 HydrophobicContact CG1-CG 4.03Å; V53-V77 HydrophobicContact CG2-CG1 4.12Å; V53-P78 PolarHBondContact N-O 3.23Å; V53-Y79 CarbonylContact O-C 3.59Å; V53-Y79 VanDerWaalsContact O-CA 3.24Å; V53-Y79 WeakPolarHBondContact O-CA 3.36Å; V53-V80 PolarHBondContact O-N 3.44Å
54V97.8Very high95.5Very high0 Ų042.3 Ų42.30%022%0.222CC..EExtended strand (participates in β ladder)trans-120.8127.2175-178.30000108.9L21 I25 L52 V80 V82 L88 A100 C101L21-V54 HydrophobicContact CD2-CG2 3.97Å; I25-V54 HydrophobicContact CD1-CB 4.13Å; I25-V54 HydrophobicContact CD1-CG1 4.22Å; I25-V54 HydrophobicContact CD1-CG2 3.99Å; L52-V54 HydrophobicContact CD1-CG2 3.93Å; V54-V80 WeakPolarHBondContact CA-O 3.49Å; V54-V80 HydrophobicContact CG2-CG1 4.24Å; V54-V82 HydrophobicContact CG1-CB 4.3Å; V54-V82 HydrophobicContact CG1-CG1 3.6Å; V54-V82 HydrophobicContact CG1-CG2 3.79Å; V54-L88 HydrophobicContact CB-CD1 4.42Å; V54-L88 HydrophobicContact CG1-CD1 3.86Å; V54-L88 HydrophobicContact CG1-CD2 4.42Å; V54-A100 CarbonylContact O-C 3.53Å; V54-A100 VanDerWaalsContact O-CA 3.31Å; V54-A100 WeakPolarHBondContact O-CA 3.31Å; V54-C101 PolarHBondContact N-O 3.11Å; V54-C101 PolarHBondContact O-N 3.41Å
55L97.6Very high95.4Very high0 Ų042.2 Ų42.20%022%0.221CC..EExtended strand (participates in β ladder)trans-117.4151.2-174.3-57.5179000110V53 L65 L68 P69 Y79 V80 F81 V82 I99 A100V53-L55 HydrophobicContact CG1-CD2 3.63Å; V53-L55 HydrophobicContact CG1-CG 4.03Å; L55-L65 HydrophobicContact CB-CD1 4.31Å; L55-L65 HydrophobicContact CD2-CD2 4.31Å; L55-L68 HydrophobicContact CD1-CB 4.36Å; L55-L68 HydrophobicContact CD2-CB 4.12Å; L55-L68 HydrophobicContact CD2-CD1 3.54Å; L55-L68 HydrophobicContact CD2-CG 4.48Å; L55-P69 HydrophobicContact CD1-CG 3.84Å; L55-Y79 HydrophobicContact CD1-CD2 4.2Å; L55-V80 PolarHBondContact N-O 3.13Å; L55-F81 HydrophobicContact CB-CD1 3.54Å; L55-F81 HydrophobicContact CB-CE1 3.59Å; L55-F81 HydrophobicContact CB-CG 4.04Å; L55-F81 HydrophobicContact CB-CZ 4.14Å; L55-F81 HydrophobicContact CD1-CD1 4.41Å; L55-F81 HydrophobicContact CD1-CD2 4.42Å; L55-F81 HydrophobicContact CD1-CE1 3.8Å; L55-F81 HydrophobicContact CD1-CE2 3.81Å; L55-F81 HydrophobicContact CD1-CZ 3.47Å; L55-F81 VanDerWaalsContact CD1-CZ 3.47Å; L55-F81 HydrophobicContact CG-CE1 4.35Å; L55-F81 HydrophobicContact CG-CZ 4.45Å; L55-F81 CarbonylContact O-C 3.46Å; L55-F81 VanDerWaalsContact O-CA 3.25Å; L55-F81 WeakPolarHBondContact O-CA 3.25Å; L55-V82 WeakPolarHBondContact O-CG2 3.49Å; L55-V82 PolarHBondContact O-N 3.27Å; L55-I99 CarbonylContact C-O 3.6Å; L55-A100 HydrophobicContact CD2-CB 3.72Å
56A96.4Very high95.2Very high0 Ų044.6 Ų44.60%023%0.234CC..EExtended strand (participates in β ladder)trans-101123.2177.900000112.1T59 L65 V82 K85 L88 I99A56-T59 WeakPolarHBondContact O-CB 3.45Å; A56-T59 PolarHBondContact O-N 2.83Å; A56-T59 PolarHBondContact O-OG1 2.98Å; A56-L65 VanDerWaalsContact O-CD1 3.28Å; A56-L65 WeakPolarHBondContact O-CD1 3.47Å; A56-V82 WeakPolarHBondContact CA-O 3.44Å; A56-K85 HydrophobicContact CB-CB 3.56Å; A56-L88 HydrophobicContact CB-CD2 4.38Å; A56-I99 PolarHBondContact N-O 3.08Å
57A95.2Very high95.2Very high8 Ų843.6 Ų43.67%0.06623%0.226CC..THydrogen-bonded Turntrans-72.1-25.7-176.600000114.1A9 T59 F81 V82A9-A57 HydrophobicContact CB-CB 3.88Å; A57-T59 PolarHBondContact O-N 2.81Å; A57-F81 HydrophobicContact CB-CB 4.32Å; A57-F81 HydrophobicContact CB-CD1 4.46Å; A57-V82 PolarHBondContact N-O 3.15Å
58D94.5Very high95.2Very high42 Ų4235.1 Ų35.123%0.22519%0.194CC..THydrogen-bonded Turntrans-86.819.9176.569.1-18.5000113.3K83 S84 K85D58-K83 WeakPolarHBondContact CB-O 3.33Å; D58-K83 VanDerWaalsContact CG-O 3.3Å; D58-K83 PolarHBondContact N-O 3.22Å; D58-S84 WeakPolarHBondContact OD2-CA 3.34Å; D58-K85 PolarHBondContact O-NZ 2.74Å; D58-K85 VanDerWaalsContact OD1-CB 3.3Å; D58-K85 WeakPolarHBondContact OD1-CB 3.07Å; D58-K85 VanDerWaalsContact OD1-CG 3.31Å; D58-K85 WeakPolarHBondContact OD1-CG 3.45Å; D58-K85 PolarHBondContact OD1-N 3Å; D58-K85 WeakPolarHBondContact OD2-CG 3.32Å; D58-K85 PolarHBondContact OD2-N 2.92Å
59T94.2Very high95.3Very high7 Ų732.9 Ų32.94%0.04317%0.168CC..  trans-72.4128.7173.9-59.70000109.8A56 A57 P61 L62 L65 I99A56-T59 WeakPolarHBondContact O-CB 3.45Å; A56-T59 PolarHBondContact O-N 2.83Å; A56-T59 PolarHBondContact O-OG1 2.98Å; A57-T59 PolarHBondContact O-N 2.81Å; T59-P61 CarbonylContact O-C 3.47Å; T59-L62 WeakPolarHBondContact O-CA 3.45Å; T59-L62 PolarHBondContact O-N 2.91Å; T59-L62 VanDerWaalsContact O-N 3.09Å; T59-L65 HydrophobicContact CG2-CD1 4.07Å; T59-L65 HydrophobicContact CG2-CG 4.16Å; T59-L65 WeakPolarHBondContact OG1-CD1 3.48Å; T59-I99 HydrophobicContact CG2-CB 4.05Å; T59-I99 HydrophobicContact CG2-CD1 4.49Å; T59-I99 HydrophobicContact CG2-CG2 3.71Å
60E92.3Very high95.3Very high159 Ų15934.7 Ų34.774%0.74318%0.178SC*.SBendtrans-125.5117.1-179.9-173.861.7-126.900108.4
61P93.7Very high95.3Very high57 Ų5735.7 Ų35.737%0.3718%0.182SC..SBendcis-73.8142.1-8.528.8-33.3000112.9T59 E63 I64T59-P61 CarbonylContact O-C 3.47Å; P61-E63 WeakPolarHBondContact CB-OE2 3.35Å; P61-E63 PolarHBondContact O-N 2.77Å; P61-I64 HydrophobicContact CG-CD1 3.81Å; P61-I64 HydrophobicContact CG-CG1 4.04Å; P61-I64 PolarHBondContact O-N 3.41Å
62L92.6Very high95.4Very high3 Ų334.5 Ų34.52%0.01618%0.176CC..G310 helixtrans-63.2-26179.8-177.664.6000112.3N6 R8 A9 T59 I64 L65 L66 F81N6-L62 HydrophobicContact CB-CD2 3.65Å; N6-L62 VanDerWaalsContact CG-CD2 3.43Å; R8-L62 HydrophobicContact CB-CD2 3.93Å; A9-L62 HydrophobicContact CB-CD2 4.16Å; T59-L62 WeakPolarHBondContact O-CA 3.45Å; T59-L62 PolarHBondContact O-N 2.91Å; T59-L62 VanDerWaalsContact O-N 3.09Å; L62-I64 PolarHBondContact O-N 2.84Å; L62-L65 HydrophobicContact CD1-CD1 4.27Å; L62-L65 PolarHBondContact O-N 3.18Å; L62-L66 HydrophobicContact CD2-CD2 4.45Å; L62-L66 HydrophobicContact CG-CD2 4.29Å; L62-F81 HydrophobicContact CD1-CE1 4.15Å
63E93.6Very high95.3Very high96 Ų9639.6 Ų39.645%0.44920%0.2SC..G310 helixtrans-49.6-30.9177.7-74.973.7-169.500113.1R8 P61 L65 L66R8-E63 IonicContact CZ-OE1 2.66Å; R8-E63 IonicContact NH1-OE1 3.64Å; R8-E63 PolarHBondContact NH1-OE1 3.34Å; R8-E63 IonicContact NH2-OE1 2.75Å; R8-E63 PolarHBondContact NH2-OE1 2.92Å; R8-E63 IonicContact NH2-OE2 2.69Å; P61-E63 WeakPolarHBondContact CB-OE2 3.35Å; P61-E63 PolarHBondContact O-N 2.77Å; E63-L65 PolarHBondContact O-N 2.69Å; E63-L66 HydrophobicContact CG-CD1 4.27Å; E63-L66 PolarHBondContact O-N 2.77Å
64I94.8Very high95.3Very high79 Ų7945.5 Ų45.541%0.40523%0.232SC..G310 helixtrans-59.7-31.2176.9-63166.6000111P61 L62 H67 I99P61-I64 HydrophobicContact CG-CD1 3.81Å; P61-I64 HydrophobicContact CG-CG1 4.04Å; P61-I64 PolarHBondContact O-N 3.41Å; L62-I64 PolarHBondContact O-N 2.84Å; I64-H67 PolarHBondContact O-CE1 3.01Å; I64-H67 PolarHBondContact O-ND1 3.46Å; I64-I99 HydrophobicContact CG2-CD1 3.74Å
65L95.2Very high95.2Very high0 Ų048.9 Ų48.90%025%0.246CC..THydrogen-bonded Turntrans-93.4-18-177.8-63.9-179.1000114L55 A56 T59 L62 E63 H67 L68 P69 F81 I99 A100L55-L65 HydrophobicContact CB-CD1 4.31Å; L55-L65 HydrophobicContact CD2-CD2 4.31Å; A56-L65 VanDerWaalsContact O-CD1 3.28Å; A56-L65 WeakPolarHBondContact O-CD1 3.47Å; T59-L65 HydrophobicContact CG2-CD1 4.07Å; T59-L65 HydrophobicContact CG2-CG 4.16Å; T59-L65 WeakPolarHBondContact OG1-CD1 3.48Å; L62-L65 HydrophobicContact CD1-CD1 4.27Å; L62-L65 PolarHBondContact O-N 3.18Å; E63-L65 PolarHBondContact O-N 2.69Å; L65-H67 PolarHBondContact O-N 3.31Å; L65-L68 HydrophobicContact CD2-CD1 4.01Å; L65-L68 WeakPolarHBondContact O-CB 3.01Å; L65-L68 PolarHBondContact O-N 3.28Å; L65-P69 WeakPolarHBondContact O-CD 3.34Å; L65-F81 HydrophobicContact CD1-CE1 4.4Å; L65-I99 HydrophobicContact CD1-CB 4.38Å; L65-I99 WeakPolarHBondContact CD1-O 3.28Å; L65-I99 HydrophobicContact CD2-CB 4.06Å; L65-I99 HydrophobicContact CD2-CD1 3.83Å; L65-I99 HydrophobicContact CD2-CG1 3.9Å; L65-A100 HydrophobicContact CD2-CB 3.99Å
66L93.1Very high95Very high52 Ų5256 Ų5627%0.27228%0.284SS..THydrogen-bonded Turntrans-62.8-20.5-168.8-66-179000114.6R8 L62 E63R8-L66 HydrophobicContact CB-CD2 4.29Å; L62-L66 HydrophobicContact CD2-CD2 4.45Å; L62-L66 HydrophobicContact CG-CD2 4.29Å; E63-L66 HydrophobicContact CG-CD1 4.27Å; E63-L66 PolarHBondContact O-N 2.77Å
67H95.5Very high95Very high78 Ų7856.8 Ų56.836%0.36129%0.289SS..Hα-helixtrans-75.4-22.817472.7-80000113.6T42 I64 L65 L71T42-H67 PolarHBondContact OG1-NE2 3.29Å; I64-H67 PolarHBondContact O-CE1 3.01Å; I64-H67 PolarHBondContact O-ND1 3.46Å; L65-H67 PolarHBondContact O-N 3.31Å; H67-L71 WeakPolarHBondContact O-CB 3.42Å; H67-L71 PolarHBondContact O-N 2.85Å; H67-L71 VanDerWaalsContact O-N 3.17Å
68L97.2Very high95.1Very high0 Ų057.5 Ų57.50%029%0.293CS..Hα-helixtrans-72.5-46.3-177.2-72.3174.7000112.9A38 T41 T42 L45 L55 L65 I70 L71 C72 A100A38-L68 HydrophobicContact CB-CD1 4.29Å; T41-L68 HydrophobicContact CG2-CD1 4.32Å; T41-L68 HydrophobicContact CG2-CD2 3.97Å; T42-L68 WeakPolarHBondContact OG1-CD2 3.27Å; L45-L68 HydrophobicContact CD1-CD2 3.98Å; L55-L68 HydrophobicContact CD1-CB 4.36Å; L55-L68 HydrophobicContact CD2-CB 4.12Å; L55-L68 HydrophobicContact CD2-CD1 3.54Å; L55-L68 HydrophobicContact CD2-CG 4.48Å; L65-L68 HydrophobicContact CD2-CD1 4.01Å; L65-L68 WeakPolarHBondContact O-CB 3.01Å; L65-L68 PolarHBondContact O-N 3.28Å; L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.21Å; L68-L71 PolarHBondContact O-N 3.35Å; L68-C72 WeakPolarHBondContact O-CB 3.24Å; L68-C72 PolarHBondContact O-N 3.25Å; L68-C72 PolarHBondContact O-SG 2.98Å; L68-A100 HydrophobicContact CD1-CB 3.77Å
69P96.1Very high95.2Very high13 Ų1356.4 Ų56.48%0.08429%0.286CS..Hα-helixtrans-50.4-48.6171.6-33.139.2000113.4L55 L65 L71 C72 E73 Y79 F81L55-P69 HydrophobicContact CD1-CG 3.84Å; L65-P69 WeakPolarHBondContact O-CD 3.34Å; P69-L71 VanDerWaalsContact C-N 3.35Å; P69-L71 PolarHBondContact O-N 3.04Å; P69-C72 WeakPolarHBondContact O-CB 3.29Å; P69-C72 PolarHBondContact O-N 3.41Å; P69-C72 VanDerWaalsContact O-N 3.13Å; P69-E73 WeakPolarHBondContact O-CG 3.31Å; P69-E73 PolarHBondContact O-N 2.93Å; P69-Y79 HydrophobicContact CB-CD2 4.21Å; P69-Y79 HydrophobicContact CB-CE1 4.25Å; P69-Y79 HydrophobicContact CB-CE2 3.61Å; P69-Y79 HydrophobicContact CG-CD2 4.19Å; P69-Y79 HydrophobicContact CG-CE2 3.86Å; P69-F81 HydrophobicContact CG-CE2 4.12Å; P69-F81 HydrophobicContact CG-CZ 3.97Å
70I95.7Very high95.3Very high100 Ų10056 Ų5651%0.51328%0.284SS..Hα-helixtrans-59.5-46.9179-57.3170.4000110.4L68 C72 E73 D74L68-I70 VanDerWaalsContact C-N 3.32Å; L68-I70 PolarHBondContact O-N 3.21Å; I70-C72 VanDerWaalsContact C-N 3.29Å; I70-C72 PolarHBondContact O-N 3.03Å; I70-E73 PolarHBondContact O-N 2.91Å; I70-D74 PolarHBondContact O-N 2.75Å
71L96.9Very high95.5Very high29 Ų2948.5 Ų48.515%0.15225%0.249CC..Hα-helixtrans-66.4-31.4178.7-173.362.2000113.1T42 L45 H67 L68 P69 K75T42-L71 HydrophobicContact CG2-CD2 3.8Å; L45-L71 HydrophobicContact CB-CD2 3.78Å; L45-L71 HydrophobicContact CB-CG 4.08Å; L45-L71 HydrophobicContact CD1-CB 4.39Å; L45-L71 HydrophobicContact CD1-CD2 3.76Å; L45-L71 HydrophobicContact CD1-CG 4.02Å; L45-L71 HydrophobicContact CG-CD2 4.42Å; H67-L71 WeakPolarHBondContact O-CB 3.42Å; H67-L71 PolarHBondContact O-N 2.85Å; H67-L71 VanDerWaalsContact O-N 3.17Å; L68-L71 PolarHBondContact O-N 3.35Å; P69-L71 VanDerWaalsContact C-N 3.35Å; P69-L71 PolarHBondContact O-N 3.04Å; L71-K75 HydrophobicContact CD1-CD 4.15Å; L71-K75 HydrophobicContact CG-CD 4.37Å; L71-K75 WeakPolarHBondContact O-CB 3.21Å; L71-K75 WeakPolarHBondContact O-CG 3.27Å; L71-K75 PolarHBondContact O-N 3.22Å
72C96.7Very high95.6Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-69.3-43.7174.8-75.20000110.9L68 P69 I70 K75 N76 V77 Y79L68-C72 WeakPolarHBondContact O-CB 3.24Å; L68-C72 PolarHBondContact O-N 3.25Å; L68-C72 PolarHBondContact O-SG 2.98Å; P69-C72 WeakPolarHBondContact O-CB 3.29Å; P69-C72 PolarHBondContact O-N 3.41Å; P69-C72 VanDerWaalsContact O-N 3.13Å; I70-C72 VanDerWaalsContact C-N 3.29Å; I70-C72 PolarHBondContact O-N 3.03Å; C72-K75 CarbonylContact O-C 3.57Å; C72-K75 PolarHBondContact O-N 3.44Å; C72-N76 PolarHBondContact O-N 2.87Å; C72-V77 VanDerWaalsContact CB-O 3.32Å; C72-V77 WeakPolarHBondContact CB-O 3.45Å; C72-V77 PolarHBondContact O-N 2.81Å; C72-Y79 HydrophobicContact CB-CD1 3.57Å; C72-Y79 HydrophobicContact CB-CE1 4.36Å; C72-Y79 HydrophobicContact CB-CG 4.09Å
73E95.3Very high95.7Very high109 Ų10950.7 Ų50.751%0.50925%0.253SS..Hα-helixtrans-61.9-48.9176-71.8167.9-167.400111.5P69 I70 K75 N76 Y79P69-E73 WeakPolarHBondContact O-CG 3.31Å; P69-E73 PolarHBondContact O-N 2.93Å; I70-E73 PolarHBondContact O-N 2.91Å; E73-K75 PolarHBondContact O-N 3.25Å; E73-N76 PolarHBondContact O-N 2.84Å; E73-N76 VanDerWaalsContact O-N 3.09Å; E73-Y79 HydrophobicContact CG-CE1 3.87Å; E73-Y79 PolarHBondContact OE1-OH 2.66Å
74D96.3Very high95.7Very high124 Ų12447.7 Ų47.766%0.66324%0.242SC*.Hα-helixtrans-55.4-26.4176.8-75.8-16.4000113.1I70I70-D74 PolarHBondContact O-N 2.75Å
75K95.5Very high95.8Very high70 Ų7046.7 Ų46.730%0.30424%0.235SC..THydrogen-bonded Turntrans-108.92.6-174.5-66.2-176.5177.4-175.60114L45 N46 L71 C72 E73 V77L45-K75 HydrophobicContact CB-CD 4.17Å; L45-K75 VanDerWaalsContact O-CD 3.22Å; L45-K75 WeakPolarHBondContact O-CD 3.43Å; L45-K75 PolarHBondContact O-NZ 2.87Å; N46-K75 PolarHBondContact OD1-NZ 2.96Å; L71-K75 HydrophobicContact CD1-CD 4.15Å; L71-K75 HydrophobicContact CG-CD 4.37Å; L71-K75 WeakPolarHBondContact O-CB 3.21Å; L71-K75 WeakPolarHBondContact O-CG 3.27Å; L71-K75 PolarHBondContact O-N 3.22Å; C72-K75 CarbonylContact O-C 3.57Å; C72-K75 PolarHBondContact O-N 3.44Å; E73-K75 PolarHBondContact O-N 3.25Å; K75-V77 HydrophobicContact CB-CG2 3.98Å; K75-V77 PolarHBondContact O-N 2.84Å
76N94.5Very high95.8Very high149 Ų14948.6 Ų48.680%0.79725%0.251SS*.THydrogen-bonded Turntrans53.240.7-174.4-56.3-68.5000112.5C72 E73C72-N76 PolarHBondContact O-N 2.87Å; E73-N76 PolarHBondContact O-N 2.84Å; E73-N76 VanDerWaalsContact O-N 3.09Å
77V96.3Very high95.9Very high17 Ų1747 Ų4710%0.10325%0.245CC..  trans-102.4119.6176.2177.20000108.9L45 A50 V53 C72 K75 Y79L45-V77 HydrophobicContact CD2-CB 3.83Å; L45-V77 HydrophobicContact CD2-CG1 3.86Å; L45-V77 HydrophobicContact CD2-CG2 3.84Å; A50-V77 WeakPolarHBondContact O-CG2 3.2Å; V53-V77 HydrophobicContact CG2-CG1 4.12Å; C72-V77 VanDerWaalsContact CB-O 3.32Å; C72-V77 WeakPolarHBondContact CB-O 3.45Å; C72-V77 PolarHBondContact O-N 2.81Å; K75-V77 HydrophobicContact CB-CG2 3.98Å; K75-V77 PolarHBondContact O-N 2.84Å; V77-Y79 PolarHBondContact O-N 3.44Å
78P96.3Very high96Very high23 Ų2343.3 Ų43.315%0.14923%0.228CC..  trans-58.3135.5176.2-27.535.8000112.2L52 V53 K119 M122L52-P78 CarbonylContact C-O 3.52Å; L52-P78 VanDerWaalsContact CA-O 3.28Å; L52-P78 WeakPolarHBondContact CA-O 3.33Å; V53-P78 PolarHBondContact N-O 3.23Å; P78-K119 HydrophobicContact CG-CB 4.42Å; P78-K119 HydrophobicContact CG-CG 4.18Å; P78-M122 HydrophobicContact CB-CE 3.9Å; P78-M122 HydrophobicContact CB-SD 4.42Å
79Y96.8Very high96Very high19 Ų1943.3 Ų43.38%0.07523%0.228CC..EExtended strand (participates in β ladder)trans-132.3154.9175.272.1-84.7000111.4F10 V53 L55 P69 C72 E73 V77 F81F10-Y79 WeakPolarHBondContact O-CE2 3.45Å; V53-Y79 CarbonylContact O-C 3.59Å; V53-Y79 VanDerWaalsContact O-CA 3.24Å; V53-Y79 WeakPolarHBondContact O-CA 3.36Å; L55-Y79 HydrophobicContact CD1-CD2 4.2Å; P69-Y79 HydrophobicContact CB-CD2 4.21Å; P69-Y79 HydrophobicContact CB-CE1 4.25Å; P69-Y79 HydrophobicContact CB-CE2 3.61Å; P69-Y79 HydrophobicContact CG-CD2 4.19Å; P69-Y79 HydrophobicContact CG-CE2 3.86Å; C72-Y79 HydrophobicContact CB-CD1 3.57Å; C72-Y79 HydrophobicContact CB-CE1 4.36Å; C72-Y79 HydrophobicContact CB-CG 4.09Å; E73-Y79 HydrophobicContact CG-CE1 3.87Å; E73-Y79 PolarHBondContact OE1-OH 2.66Å; V77-Y79 PolarHBondContact O-N 3.44Å; Y79-F81 HydrophobicContact CD2-CE2 4.26Å; Y79-F81 HydrophobicContact CE2-CE2 4.09Å
80V96.8Very high96Very high0 Ų050.8 Ų50.80%026%0.255CS..EExtended strand (participates in β ladder)trans-153.4148.517770.90000111.1P11 A13 L21 V53 V54 L55 M122 L125P11-V80 WeakPolarHBondContact O-CG2 3.44Å; A13-V80 HydrophobicContact CB-CG2 3.68Å; L21-V80 HydrophobicContact CD1-CG1 3.46Å; L21-V80 VanDerWaalsContact CD1-CG1 3.46Å; L21-V80 HydrophobicContact CD2-CG1 4.25Å; V53-V80 PolarHBondContact O-N 3.44Å; V54-V80 WeakPolarHBondContact CA-O 3.49Å; V54-V80 HydrophobicContact CG2-CG1 4.24Å; L55-V80 PolarHBondContact N-O 3.13Å; V80-M122 HydrophobicContact CB-CE 3.72Å; V80-M122 HydrophobicContact CB-CG 4.38Å; V80-M122 HydrophobicContact CG1-CE 3.62Å; V80-M122 HydrophobicContact CG1-CG 4.37Å; V80-M122 HydrophobicContact CG1-SD 4.3Å; V80-L125 HydrophobicContact CG2-CD1 3.81Å
81F96.6Very high96Very high0 Ų046.4 Ų46.40%023%0.234CC..EExtended strand (participates in β ladder)trans-91.8129.5172.6-70.9-95.4000111.3A9 F10 P11 I12 A13 L55 A57 L62 L65 P69 Y79A9-F81 HydrophobicContact CB-CB 4.36Å; A9-F81 HydrophobicContact CB-CD1 3.72Å; A9-F81 HydrophobicContact CB-CD2 4.36Å; A9-F81 HydrophobicContact CB-CE1 4.02Å; A9-F81 HydrophobicContact CB-CG 3.9Å; A9-F81 HydrophobicContact CB-CZ 4.46Å; F10-F81 WeakPolarHBondContact O-CE2 3.28Å; P11-F81 WeakPolarHBondContact O-CB 3.47Å; P11-F81 PolarHBondContact O-N 2.86Å; I12-F81 WeakPolarHBondContact CA-O 3.36Å; I12-F81 HydrophobicContact CG1-CB 4.23Å; A13-F81 PolarHBondContact N-O 2.81Å; L55-F81 HydrophobicContact CB-CD1 3.54Å; L55-F81 HydrophobicContact CB-CE1 3.59Å; L55-F81 HydrophobicContact CB-CG 4.04Å; L55-F81 HydrophobicContact CB-CZ 4.14Å; L55-F81 HydrophobicContact CD1-CD1 4.41Å; L55-F81 HydrophobicContact CD1-CD2 4.42Å; L55-F81 HydrophobicContact CD1-CE1 3.8Å; L55-F81 HydrophobicContact CD1-CE2 3.81Å; L55-F81 HydrophobicContact CD1-CZ 3.47Å; L55-F81 VanDerWaalsContact CD1-CZ 3.47Å; L55-F81 HydrophobicContact CG-CE1 4.35Å; L55-F81 HydrophobicContact CG-CZ 4.45Å; L55-F81 CarbonylContact O-C 3.46Å; L55-F81 VanDerWaalsContact O-CA 3.25Å; L55-F81 WeakPolarHBondContact O-CA 3.25Å; A57-F81 HydrophobicContact CB-CB 4.32Å; A57-F81 HydrophobicContact CB-CD1 4.46Å; L62-F81 HydrophobicContact CD1-CE1 4.15Å; L65-F81 HydrophobicContact CD1-CE1 4.4Å; P69-F81 HydrophobicContact CG-CE2 4.12Å; P69-F81 HydrophobicContact CG-CZ 3.97Å; Y79-F81 HydrophobicContact CD2-CE2 4.26Å; Y79-F81 HydrophobicContact CE2-CE2 4.09Å
82V95.6Very high96Very high4 Ų445 Ų452%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-98.5151.9164.6-66.20000109.7L21 V54 L55 A56 A57 S84 L88L21-V82 HydrophobicContact CD1-CG1 4.3Å; V54-V82 HydrophobicContact CG1-CB 4.3Å; V54-V82 HydrophobicContact CG1-CG1 3.6Å; V54-V82 HydrophobicContact CG1-CG2 3.79Å; L55-V82 WeakPolarHBondContact O-CG2 3.49Å; L55-V82 PolarHBondContact O-N 3.27Å; A56-V82 WeakPolarHBondContact CA-O 3.44Å; A57-V82 PolarHBondContact N-O 3.15Å; V82-S84 PolarHBondContact O-N 3.35Å; V82-L88 HydrophobicContact CG2-CB 4.33Å; V82-L88 HydrophobicContact CG2-CD1 4.35Å; V82-L88 HydrophobicContact CG2-CD2 4.32Å
83K93.9Very high95.9Very high102 Ų10247.4 Ų47.444%0.44325%0.251SS..SBendtrans-63.1-38.5-172.7-63.7-177-179.5-178.70113.9D58D58-K83 WeakPolarHBondContact CB-O 3.33Å; D58-K83 VanDerWaalsContact CG-O 3.3Å; D58-K83 PolarHBondContact N-O 3.22Å
84S94.7Very high95.9Very high33 Ų3344.4 Ų44.423%0.23124%0.24CC..  trans-126.3122.6-168.5-177.80000114.3D58 V82 A86 A87 L88D58-S84 WeakPolarHBondContact OD2-CA 3.34Å; V82-S84 PolarHBondContact O-N 3.35Å; S84-A86 PolarHBondContact O-N 2.88Å; S84-A86 PolarHBondContact OG-N 3.37Å; S84-A87 PolarHBondContact O-N 3.31Å; S84-A87 PolarHBondContact OG-N 3.07Å; S84-L88 PolarHBondContact O-N 3.49Å
85K96Very high95.7Very high58 Ų5844.4 Ų44.425%0.25225%0.25SS..Hα-helixtrans-62.5-28.1169.863.9-166.2174-157.60113A56 D58 G89 P97 I98A56-K85 HydrophobicContact CB-CB 3.56Å; D58-K85 PolarHBondContact O-NZ 2.74Å; D58-K85 VanDerWaalsContact OD1-CB 3.3Å; D58-K85 WeakPolarHBondContact OD1-CB 3.07Å; D58-K85 VanDerWaalsContact OD1-CG 3.31Å; D58-K85 WeakPolarHBondContact OD1-CG 3.45Å; D58-K85 PolarHBondContact OD1-N 3Å; D58-K85 WeakPolarHBondContact OD2-CG 3.32Å; D58-K85 PolarHBondContact OD2-N 2.92Å; K85-G89 PolarHBondContact O-N 2.94Å; K85-P97 HydrophobicContact CB-CB 4.05Å; K85-P97 HydrophobicContact CD-CB 4.11Å; K85-P97 HydrophobicContact CG-CB 3.61Å; K85-P97 WeakPolarHBondContact O-CA 3.41Å; K85-I98 VanDerWaalsContact CA-O 3.27Å; K85-I98 WeakPolarHBondContact CA-O 3.42Å; K85-I98 VanDerWaalsContact CB-O 3.23Å; K85-I98 WeakPolarHBondContact CB-O 3.32Å; K85-I98 PolarHBondContact O-N 3.12Å
86A96.2Very high95.7Very high40 Ų4050.6 Ų50.633%0.33127%0.271SS..Hα-helixtrans-72.5-41.8176.400000111.2S84 L88 G89 R90S84-A86 PolarHBondContact O-N 2.88Å; S84-A86 PolarHBondContact OG-N 3.37Å; A86-L88 VanDerWaalsContact C-N 3.34Å; A86-G89 PolarHBondContact O-N 2.82Å; A86-R90 WeakPolarHBondContact O-CG 3.5Å; A86-R90 PolarHBondContact O-N 3.38Å; A86-R90 VanDerWaalsContact O-N 3.09Å
87A96.1Very high95.8Very high19 Ų1947.2 Ų47.216%0.15726%0.257CS..Hα-helixtrans-63.2-42.8172.800000111.2L22 S84 G89 R90 A91L22-A87 HydrophobicContact CD1-CB 4.15Å; S84-A87 PolarHBondContact O-N 3.31Å; S84-A87 PolarHBondContact OG-N 3.07Å; A87-G89 PolarHBondContact O-N 3.19Å; A87-R90 PolarHBondContact O-N 3.26Å; A87-A91 PolarHBondContact O-N 3.39Å
88L96.5Very high95.9Very high0 Ų047.2 Ų47.20%026%0.257CS..Hα-helixtrans-60.1-45.1175.5-167.757.6000111.9L22 I25 V54 A56 V82 S84 A86 R90 A91 C92 I98L22-L88 HydrophobicContact CD2-CD1 4.25Å; I25-L88 HydrophobicContact CD1-CD1 3.56Å; V54-L88 HydrophobicContact CB-CD1 4.42Å; V54-L88 HydrophobicContact CG1-CD1 3.86Å; V54-L88 HydrophobicContact CG1-CD2 4.42Å; A56-L88 HydrophobicContact CB-CD2 4.38Å; V82-L88 HydrophobicContact CG2-CB 4.33Å; V82-L88 HydrophobicContact CG2-CD1 4.35Å; V82-L88 HydrophobicContact CG2-CD2 4.32Å; S84-L88 PolarHBondContact O-N 3.49Å; A86-L88 VanDerWaalsContact C-N 3.34Å; L88-R90 PolarHBondContact O-N 3.48Å; L88-A91 PolarHBondContact O-N 3.31Å; L88-C92 WeakPolarHBondContact O-CB 3.02Å; L88-C92 PolarHBondContact O-N 3.23Å; L88-C92 PolarHBondContact O-SG 2.75Å; L88-I98 HydrophobicContact CD2-CG2 4.14Å; L88-I98 HydrophobicContact CG-CB 4.48Å; L88-I98 HydrophobicContact CG-CG2 4.24Å
89G97.2Very high95.9Very high1 Ų148.2 Ų48.21%0.0126%0.261CS..Hα-helixtrans-55.5-47.4174.800000112.9K85 A86 A87 C92 G93 V94K85-G89 PolarHBondContact O-N 2.94Å; A86-G89 PolarHBondContact O-N 2.82Å; A87-G89 PolarHBondContact O-N 3.19Å; G89-C92 CarbonylContact O-C 3.55Å; G89-C92 WeakPolarHBondContact O-CB 3.33Å; G89-C92 PolarHBondContact O-N 3.22Å; G89-G93 PolarHBondContact O-N 2.82Å; G89-V94 CarbonylContact C-O 3.22Å; G89-V94 VanDerWaalsContact O-CG2 3.26Å; G89-V94 WeakPolarHBondContact O-CG2 3.33Å; G89-V94 PolarHBondContact O-N 2.87Å
90R96.6Very high95.9Very high169 Ų16947.3 Ų47.364%0.63826%0.257SS*.Hα-helixtrans-61.7-45.8177.2-71.4-171.3-62.7-93.43.8112.5A86 A87 L88 C92 G93A86-R90 WeakPolarHBondContact O-CG 3.5Å; A86-R90 PolarHBondContact O-N 3.38Å; A86-R90 VanDerWaalsContact O-N 3.09Å; A87-R90 PolarHBondContact O-N 3.26Å; L88-R90 PolarHBondContact O-N 3.48Å; R90-C92 PolarHBondContact O-N 3.29Å; R90-G93 PolarHBondContact O-N 2.78Å
91A96.1Very high96Very high9 Ų947.4 Ų47.47%0.07426%0.257CS..Hα-helixtrans-61.4-34.3176.500000112.1L22 I25 Q26 A87 L88 G93L22-A91 HydrophobicContact CB-CB 4.05Å; L22-A91 HydrophobicContact CD2-CB 3.64Å; L22-A91 HydrophobicContact CG-CB 4.44Å; I25-A91 HydrophobicContact CB-CB 4.23Å; I25-A91 HydrophobicContact CG2-CB 3.96Å; Q26-A91 WeakPolarHBondContact CA-O 3.32Å; A87-A91 PolarHBondContact O-N 3.39Å; L88-A91 PolarHBondContact O-N 3.31Å; A91-G93 PolarHBondContact O-N 3.3Å
92C96.2Very high96Very high0 Ų047.4 Ų47.40%026%0.257CS..THydrogen-bonded Turntrans-750.3173.9-63.30000114M34 R36 L88 G89 R90 V94 I98M34-C92 HydrophobicContact CE-CB 4.13Å; M34-C92 VanDerWaalsContact CE-SG 3.57Å; R36-C92 HydrophobicContact CG-CB 4.21Å; R36-C92 PolarHBondContact NE-O 2.86Å; R36-C92 PolarHBondContact NH1-O 3.29Å; R36-C92 VanDerWaalsContact NH1-O 3.11Å; L88-C92 WeakPolarHBondContact O-CB 3.02Å; L88-C92 PolarHBondContact O-N 3.23Å; L88-C92 PolarHBondContact O-SG 2.75Å; G89-C92 CarbonylContact O-C 3.55Å; G89-C92 WeakPolarHBondContact O-CB 3.33Å; G89-C92 PolarHBondContact O-N 3.22Å; R90-C92 PolarHBondContact O-N 3.29Å; C92-V94 HydrophobicContact CB-CG2 4.32Å; C92-I98 HydrophobicContact CB-CD1 3.43Å; C92-I98 VanDerWaalsContact CB-CD1 3.43Å
93G94.3Very high96.1Very high50 Ų5047.2 Ų47.252%0.51526%0.256SS..THydrogen-bonded Turntrans72.527.9-179.400000114.3G89 R90 A91G89-G93 PolarHBondContact O-N 2.82Å; R90-G93 PolarHBondContact O-N 2.78Å; A91-G93 PolarHBondContact O-N 3.3Å
94V95.4Very high96.2Very high46 Ų4643.1 Ų43.128%0.27924%0.24SC..  trans-125.2148.7176.1-61.90000111.4G89 C92 R96 I98G89-V94 CarbonylContact C-O 3.22Å; G89-V94 VanDerWaalsContact O-CG2 3.26Å; G89-V94 WeakPolarHBondContact O-CG2 3.33Å; G89-V94 PolarHBondContact O-N 2.87Å; C92-V94 HydrophobicContact CB-CG2 4.32Å; V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 WeakPolarHBondContact CG2-O 3.36Å; V94-I98 HydrophobicContact CG2-CD1 3.3Å; V94-I98 HydrophobicContact CG2-CG1 3.85Å
95S93Very high95.9Very high124 Ų12445.1 Ų45.187%0.86725%0.251SS*.SBendtrans-76.2-22.4176.755.10000113.1
96R95.5Very high95.6Very high199 Ų19945.7 Ų45.775%0.75126%0.257SS*.SBendtrans-84.4145179.7-63.7-175-177.8-171.30.4110.8V94V94-R96 VanDerWaalsContact C-N 3.32Å; V94-R96 WeakPolarHBondContact CG2-O 3.36Å
97P95.7Very high94.8Very high78 Ų7853 Ų5351%0.50628%0.283SS..  trans-61.2142.7174.125.5-33.3000111.2K85K85-P97 HydrophobicContact CB-CB 4.05Å; K85-P97 HydrophobicContact CD-CB 4.11Å; K85-P97 HydrophobicContact CG-CB 3.61Å; K85-P97 WeakPolarHBondContact O-CA 3.41Å
98I97.5Very high94Very high18 Ų1855.6 Ų55.69%0.09231%0.312CS..  trans-118.6135.3175.4-75.5174.4000108.5R36 K85 L88 C92 V94 A100R36-I98 HydrophobicContact CB-CD1 3.98Å; R36-I98 HydrophobicContact CG-CD1 4.2Å; K85-I98 VanDerWaalsContact CA-O 3.27Å; K85-I98 WeakPolarHBondContact CA-O 3.42Å; K85-I98 VanDerWaalsContact CB-O 3.23Å; K85-I98 WeakPolarHBondContact CB-O 3.32Å; K85-I98 PolarHBondContact O-N 3.12Å; L88-I98 HydrophobicContact CD2-CG2 4.14Å; L88-I98 HydrophobicContact CG-CB 4.48Å; L88-I98 HydrophobicContact CG-CG2 4.24Å; C92-I98 HydrophobicContact CB-CD1 3.43Å; C92-I98 VanDerWaalsContact CB-CD1 3.43Å; V94-I98 HydrophobicContact CG2-CD1 3.3Å; V94-I98 HydrophobicContact CG2-CG1 3.85Å; I98-A100 WeakPolarHBondContact CG2-O 3.27Å
99I96.9Very high93.5Very high44 Ų4456.4 Ų56.423%0.22632%0.318CS..SBendtrans-92.2-23.2-177.664.5171.9000113.5A38 L55 A56 T59 I64 L65A38-I99 HydrophobicContact CB-CD1 4.02Å; A38-I99 HydrophobicContact CB-CG1 4.41Å; L55-I99 CarbonylContact C-O 3.6Å; A56-I99 PolarHBondContact N-O 3.08Å; T59-I99 HydrophobicContact CG2-CB 4.05Å; T59-I99 HydrophobicContact CG2-CD1 4.49Å; T59-I99 HydrophobicContact CG2-CG2 3.71Å; I64-I99 HydrophobicContact CG2-CD1 3.74Å; L65-I99 HydrophobicContact CD1-CB 4.38Å; L65-I99 WeakPolarHBondContact CD1-O 3.28Å; L65-I99 HydrophobicContact CD2-CB 4.06Å; L65-I99 HydrophobicContact CD2-CD1 3.83Å; L65-I99 HydrophobicContact CD2-CG1 3.9Å
100A97.9Very high93Very high0 Ų065 Ų650%036%0.358CS..EExtended strand (participates in β ladder)trans-153.1145.3-179.700000110.6G37 A38 V54 L55 L65 L68 I98G37-A100 WeakPolarHBondContact CA-O 3.23Å; G37-A100 PolarHBondContact N-O 3.36Å; A38-A100 HydrophobicContact CB-CB 4.46Å; V54-A100 CarbonylContact O-C 3.53Å; V54-A100 VanDerWaalsContact O-CA 3.31Å; V54-A100 WeakPolarHBondContact O-CA 3.31Å; L55-A100 HydrophobicContact CD2-CB 3.72Å; L65-A100 HydrophobicContact CD2-CB 3.99Å; L68-A100 HydrophobicContact CD1-CB 3.77Å; I98-A100 WeakPolarHBondContact CG2-O 3.27Å
101C97.8Very high92.7Very high1 Ų157.2 Ų57.21%0.00733%0.329CS..EExtended strand (participates in β ladder)trans-144.9157.7165.469.70000110.4I25 M34 K35 V54I25-C101 VanDerWaalsContact CD1-SG 3.57Å; M34-C101 HydrophobicContact CE-CB 3.98Å; K35-C101 CarbonylContact O-C 3.48Å; K35-C101 VanDerWaalsContact O-CA 3.24Å; K35-C101 WeakPolarHBondContact O-CA 3.39Å; K35-C101 VanDerWaalsContact O-CB 3.29Å; K35-C101 WeakPolarHBondContact O-CB 3.42Å; V54-C101 PolarHBondContact N-O 3.11Å; V54-C101 PolarHBondContact O-N 3.41Å
102S97.6Very high92.4Very high0 Ų058.7 Ų58.70%034%0.335CS..EExtended strand (participates in β ladder)trans-129.6140.4174.557.60000110.7M34 K35 T41 L52M34-S102 CarbonylContact C-O 3.47Å; M34-S102 WeakPolarHBondContact CA-O 3.36Å; K35-S102 PolarHBondContact N-O 2.87Å; K35-S102 PolarHBondContact O-N 3.09Å; T41-S102 PolarHBondContact OG1-N 3.13Å; L52-S102 VanDerWaalsContact O-CA 3.27Å; L52-S102 WeakPolarHBondContact O-CA 3.48Å
103V97.1Very high92.2Very high1 Ų161.7 Ų61.71%0.00636%0.36CS..EExtended strand (participates in β ladder)trans-87.3136.5168-179.80000107.8L24 A28 Q33 E51 L52 I115L24-V103 HydrophobicContact CD2-CG2 4.43Å; A28-V103 HydrophobicContact CB-CG1 4.26Å; A28-V103 HydrophobicContact CB-CG2 4.28Å; Q33-V103 WeakPolarHBondContact O-CA 3.35Å; Q33-V103 WeakPolarHBondContact O-CG1 3.37Å; E51-V103 PolarHBondContact N-O 3.06Å; L52-V103 HydrophobicContact CD1-CB 4.06Å; L52-V103 HydrophobicContact CD1-CG2 3.68Å; L52-V103 HydrophobicContact CG-CB 3.97Å; L52-V103 HydrophobicContact CG-CG2 4.11Å; L52-V103 PolarHBondContact O-N 2.78Å; V103-I115 HydrophobicContact CG1-CD1 3.76Å; V103-I115 HydrophobicContact CG1-CG1 4.33Å
104T95Very high92.1Very high16 Ų1661.8 Ų61.810%0.09835%0.348CS..EExtended strand (participates in β ladder)trans-103.1148.4-176.257.30000112Q33 K35 M49 N106Q33-T104 WeakPolarHBondContact CA-OG1 3.39Å; Q33-T104 PolarHBondContact O-N 2.87Å; Q33-T104 PolarHBondContact O-OG1 3.45Å; K35-T104 HydrophobicContact CG-CG2 3.87Å; M49-T104 CarbonylContact O-C 3.58Å; M49-T104 WeakPolarHBondContact O-CA 3.41Å; M49-T104 WeakPolarHBondContact O-CB 3.45Å; T104-N106 PolarHBondContact O-N 3.23Å
105V90Very high92.1Very high75 Ų7559.6 Ų59.646%0.45533%0.334SS..PPolyproline II helixtrans-53.3133.2175.1-67.80000111.3M49 E51M49-V105 PolarHBondContact O-N 3.31Å; E51-V105 HydrophobicContact CG-CB 4.05Å; E51-V105 HydrophobicContact CG-CG1 3.18Å
106N89.6Confident92.1Very high70 Ų7058.8 Ų58.837%0.37432%0.317SS..  trans-153.299.8163.6-173.6-31.8000109.7Q33 T104 G108 S109 N112Q33-N106 HydrophobicContact CG-CB 3.83Å; Q33-N106 PolarHBondContact NE2-ND2 3.01Å; T104-N106 PolarHBondContact O-N 3.23Å; N106-G108 PolarHBondContact O-N 3.37Å; N106-G108 VanDerWaalsContact O-N 3.12Å; N106-G108 PolarHBondContact OD1-N 3.43Å; N106-S109 VanDerWaalsContact O-CB 3.27Å; N106-S109 WeakPolarHBondContact O-CB 3.46Å; N106-S109 PolarHBondContact O-N 2.96Å; N106-S109 PolarHBondContact O-OG 3.49Å; N106-N112 PolarHBondContact O-ND2 3.07Å; N106-N112 PolarHBondContact O-OD1 3.36Å
107E78.6Confident92Very high192 Ų19258 Ų5890%0.89731%0.314SS*.THydrogen-bonded Turntrans-58.9-27.4-174.5-63.6178.5169.300113.6S109 N112E107-S109 VanDerWaalsContact C-N 3.34Å; E107-N112 VanDerWaalsContact C-ND2 3.26Å; E107-N112 WeakPolarHBondContact CA-ND2 3.23Å; E107-N112 PolarHBondContact O-ND2 3.47Å
108G80.4Confident92Very high74 Ų7454.4 Ų54.476%0.76329%0.29SS*.THydrogen-bonded Turntrans-87.24.8177.200000114.8N106N106-G108 PolarHBondContact O-N 3.37Å; N106-G108 VanDerWaalsContact O-N 3.12Å; N106-G108 PolarHBondContact OD1-N 3.43Å
109S84.4Confident91.8Very high17 Ų1754.7 Ų54.712%0.11929%0.291CS..  trans-81.8142.8-175.998.40000113.3N106 E107 L111 N112N106-S109 VanDerWaalsContact O-CB 3.27Å; N106-S109 WeakPolarHBondContact O-CB 3.46Å; N106-S109 PolarHBondContact O-N 2.96Å; N106-S109 PolarHBondContact O-OG 3.49Å; E107-S109 VanDerWaalsContact C-N 3.34Å; S109-L111 PolarHBondContact O-N 3.46Å; S109-L111 PolarHBondContact OG-N 3.36Å; S109-L111 VanDerWaalsContact OG-N 3.13Å; S109-N112 PolarHBondContact O-N 2.83Å; S109-N112 PolarHBondContact O-ND2 3.12Å; S109-N112 VanDerWaalsContact OG-CG 3.29Å; S109-N112 PolarHBondContact OG-N 2.98Å; S109-N112 PolarHBondContact OG-OD1 2.76Å
110Q86.5Confident91.7Very high183 Ų18354.6 Ų54.686%0.85530%0.297SS*.THydrogen-bonded Turntrans-68.6-13.9169.3-63.3178.147.200112.3N112Q110-N112 VanDerWaalsContact C-N 3.34Å
111L90.4Very high91.5Very high5 Ų557.5 Ų57.53%0.02631%0.31CS..THydrogen-bonded Turntrans-80.3-15.7-179.5-58.8-173.7000113.1L24 Q27 A28 S109 A113 Q114 I115L24-L111 HydrophobicContact CD1-CB 4.47Å; L24-L111 HydrophobicContact CD1-CD1 4.45Å; Q27-L111 HydrophobicContact CB-CD1 4.08Å; Q27-L111 HydrophobicContact CB-CD2 3.82Å; Q27-L111 VanDerWaalsContact OE1-CD2 3.24Å; A28-L111 HydrophobicContact CB-CD1 4.06Å; S109-L111 PolarHBondContact O-N 3.46Å; S109-L111 PolarHBondContact OG-N 3.36Å; S109-L111 VanDerWaalsContact OG-N 3.13Å; L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.16Å; L111-Q114 CarbonylContact O-C 3.56Å; L111-Q114 WeakPolarHBondContact O-CA 3.23Å; L111-Q114 WeakPolarHBondContact O-CB 3.45Å; L111-Q114 PolarHBondContact O-N 3.39Å; L111-I115 HydrophobicContact CB-CD1 3.9Å; L111-I115 HydrophobicContact CB-CG1 4.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.32Å; L111-I115 PolarHBondContact O-N 2.84Å
112N90.7Very high91.2Very high39 Ų3957.6 Ų57.621%0.20931%0.311CS..Hα-helixtrans-54.2-43.9-174.3-69.8-11.8000112.5N106 E107 S109 Q110 Q114 I115 Q116N106-N112 PolarHBondContact O-ND2 3.07Å; N106-N112 PolarHBondContact O-OD1 3.36Å; E107-N112 VanDerWaalsContact C-ND2 3.26Å; E107-N112 WeakPolarHBondContact CA-ND2 3.23Å; E107-N112 PolarHBondContact O-ND2 3.47Å; S109-N112 PolarHBondContact O-N 2.83Å; S109-N112 PolarHBondContact O-ND2 3.12Å; S109-N112 VanDerWaalsContact OG-CG 3.29Å; S109-N112 PolarHBondContact OG-N 2.98Å; S109-N112 PolarHBondContact OG-OD1 2.76Å; Q110-N112 VanDerWaalsContact C-N 3.34Å; N112-Q114 VanDerWaalsContact C-N 3.32Å; N112-Q114 PolarHBondContact O-N 3.13Å; N112-I115 PolarHBondContact O-N 2.88Å; N112-Q116 VanDerWaalsContact O-CG 3.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.43Å; N112-Q116 PolarHBondContact O-N 2.91Å
113A92Very high90.9Very high63 Ų6362.9 Ų62.952%0.52134%0.335SS..Hα-helixtrans-62.6-38.3177.100000112.7L111 R117L111-A113 VanDerWaalsContact C-N 3.28Å; L111-A113 PolarHBondContact O-N 3.16Å; A113-R117 VanDerWaalsContact O-CG 3.32Å; A113-R117 WeakPolarHBondContact O-CG 3.36Å; A113-R117 PolarHBondContact O-N 3.34Å
114Q92.7Very high90.6Very high53 Ų5370 Ų7025%0.24837%0.366CS..Hα-helixtrans-72.4-41.6177.7-174.4178.9-16.600111.5L24 L111 N112 Q116 R117 I118L24-Q114 HydrophobicContact CD1-CB 4.44Å; L24-Q114 HydrophobicContact CD1-CG 4.09Å; L111-Q114 CarbonylContact O-C 3.56Å; L111-Q114 WeakPolarHBondContact O-CA 3.23Å; L111-Q114 WeakPolarHBondContact O-CB 3.45Å; L111-Q114 PolarHBondContact O-N 3.39Å; N112-Q114 VanDerWaalsContact C-N 3.32Å; N112-Q114 PolarHBondContact O-N 3.13Å; Q114-Q116 PolarHBondContact O-N 3.39Å; Q114-R117 PolarHBondContact O-N 3.2Å; Q114-I118 HydrophobicContact CG-CD1 3.99Å; Q114-I118 WeakPolarHBondContact O-CG1 3.26Å; Q114-I118 PolarHBondContact O-N 3.11Å
115I93.9Very high90.2Very high0 Ų071.2 Ų71.20%037%0.372CS..Hα-helixtrans-57.8-48.9175.9-69.2168000109.8L24 E51 L52 V103 L111 N112 R117 I118 K119L24-I115 HydrophobicContact CD1-CG1 3.81Å; L24-I115 HydrophobicContact CD2-CG1 4.06Å; E51-I115 HydrophobicContact CB-CG2 4.43Å; L52-I115 HydrophobicContact CD2-CG2 4.1Å; V103-I115 HydrophobicContact CG1-CD1 3.76Å; V103-I115 HydrophobicContact CG1-CG1 4.33Å; L111-I115 HydrophobicContact CB-CD1 3.9Å; L111-I115 HydrophobicContact CB-CG1 4.27Å; L111-I115 WeakPolarHBondContact O-CG1 3.32Å; L111-I115 PolarHBondContact O-N 2.84Å; N112-I115 PolarHBondContact O-N 2.88Å; I115-R117 PolarHBondContact O-N 2.97Å; I115-I118 PolarHBondContact O-N 3.02Å; I115-K119 HydrophobicContact CG2-CD 3.99Å; I115-K119 HydrophobicContact CG2-CG 4.35Å; I115-K119 VanDerWaalsContact O-CG 3.29Å; I115-K119 WeakPolarHBondContact O-CG 3.31Å; I115-K119 PolarHBondContact O-N 2.94Å
116Q93.4Very high89.6Confident106 Ų10672.2 Ų72.250%0.49537%0.374SS..Hα-helixtrans-63.1-39.9179.8-67.1-61.8-22.300112.7N112 Q114 K119 A120N112-Q116 VanDerWaalsContact O-CG 3.25Å; N112-Q116 WeakPolarHBondContact O-CG 3.43Å; N112-Q116 PolarHBondContact O-N 2.91Å; Q114-Q116 PolarHBondContact O-N 3.39Å; Q116-K119 PolarHBondContact O-N 3.43Å; Q116-A120 PolarHBondContact O-N 3.47Å; Q116-A120 VanDerWaalsContact O-N 3.09Å
117R94.4Very high88.8Confident182 Ų18277.6 Ų77.669%0.68741%0.409SS*.Hα-helixtrans-61.9-44.5174.1-72.6173.6-172.8179.23111.9A113 Q114 I115 A120 E121A113-R117 VanDerWaalsContact O-CG 3.32Å; A113-R117 WeakPolarHBondContact O-CG 3.36Å; A113-R117 PolarHBondContact O-N 3.34Å; Q114-R117 PolarHBondContact O-N 3.2Å; I115-R117 PolarHBondContact O-N 2.97Å; R117-A120 PolarHBondContact O-N 3.3Å; R117-E121 PolarHBondContact O-N 3.26Å
118I94.8Very high89.3Confident3 Ų371.9 Ų71.92%0.01539%0.385CS..Hα-helixtrans-67.9-40.5179.9-75.1170.5000111.1L17 K20 L21 L24 L52 Q114 I115 A120 E121 M122L17-I118 HydrophobicContact CD1-CG2 4.48Å; K20-I118 HydrophobicContact CB-CD1 4.24Å; L21-I118 HydrophobicContact CD2-CG2 3.45Å; L21-I118 VanDerWaalsContact CD2-CG2 3.45Å; L21-I118 HydrophobicContact CG-CG2 4.26Å; L24-I118 HydrophobicContact CB-CD1 3.75Å; L24-I118 HydrophobicContact CD2-CD1 3.68Å; L24-I118 HydrophobicContact CD2-CG2 4.45Å; L24-I118 HydrophobicContact CG-CD1 4.18Å; L52-I118 HydrophobicContact CD2-CG2 4.36Å; Q114-I118 HydrophobicContact CG-CD1 3.99Å; Q114-I118 WeakPolarHBondContact O-CG1 3.26Å; Q114-I118 PolarHBondContact O-N 3.11Å; I115-I118 PolarHBondContact O-N 3.02Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 3.26Å; I118-E121 CarbonylContact O-C 3.6Å; I118-E121 PolarHBondContact O-N 2.75Å; I118-E121 VanDerWaalsContact O-N 3.08Å; I118-M122 HydrophobicContact CG2-CG 4.3Å; I118-M122 HydrophobicContact CG2-SD 3.84Å; I118-M122 VanDerWaalsContact O-CG 3.31Å; I118-M122 WeakPolarHBondContact O-CG 3.45Å; I118-M122 PolarHBondContact O-N 3.04Å
119K94.2Very high89.7Confident24 Ų2471.7 Ų71.710%0.10437%0.365CS..Hα-helixtrans-54.9-48.6172.8-74.8173168.1-175.40111.4E51 L52 P78 I115 Q116 E121 M122 E123E51-K119 WeakPolarHBondContact O-CE 3.5Å; E51-K119 PolarHBondContact O-NZ 3.22Å; E51-K119 IonicContact OE1-NZ 2.74Å; E51-K119 PolarHBondContact OE1-NZ 3.28Å; L52-K119 HydrophobicContact CD2-CG 4.41Å; P78-K119 HydrophobicContact CG-CB 4.42Å; P78-K119 HydrophobicContact CG-CG 4.18Å; I115-K119 HydrophobicContact CG2-CD 3.99Å; I115-K119 HydrophobicContact CG2-CG 4.35Å; I115-K119 VanDerWaalsContact O-CG 3.29Å; I115-K119 WeakPolarHBondContact O-CG 3.31Å; I115-K119 PolarHBondContact O-N 2.94Å; Q116-K119 PolarHBondContact O-N 3.43Å; K119-E121 VanDerWaalsContact C-N 3.28Å; K119-E121 PolarHBondContact O-N 3.27Å; K119-M122 WeakPolarHBondContact O-CB 3.42Å; K119-M122 PolarHBondContact O-N 3.09Å; K119-M122 VanDerWaalsContact O-N 3.09Å; K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 3.01Å
120A93.8Very high90Very high43 Ų4374.8 Ų74.836%0.35538%0.378SS..Hα-helixtrans-64.7-29.2176.900000113.4Q116 R117 I118 K124Q116-A120 PolarHBondContact O-N 3.47Å; Q116-A120 VanDerWaalsContact O-N 3.09Å; R117-A120 PolarHBondContact O-N 3.3Å; I118-A120 VanDerWaalsContact C-N 3.33Å; I118-A120 PolarHBondContact O-N 3.26Å; A120-K124 WeakPolarHBondContact O-CD 3.41Å; A120-K124 VanDerWaalsContact O-CG 3.31Å; A120-K124 WeakPolarHBondContact O-CG 3.3Å
121E93.8Very high90.2Very high60 Ų6068.4 Ų68.428%0.2835%0.35SS..Hα-helixtrans-73.4-36.2171.3-73-177-155.200112.1L17 K20 R117 I118 K119 K124L17-E121 HydrophobicContact CD1-CB 3.88Å; K20-E121 IonicContact NZ-OE1 3.15Å; K20-E121 PolarHBondContact NZ-OE1 3.4Å; K20-E121 IonicContact NZ-OE2 2.77Å; K20-E121 PolarHBondContact NZ-OE2 3.26Å; R117-E121 PolarHBondContact O-N 3.26Å; I118-E121 CarbonylContact O-C 3.6Å; I118-E121 PolarHBondContact O-N 2.75Å; I118-E121 VanDerWaalsContact O-N 3.08Å; K119-E121 VanDerWaalsContact C-N 3.28Å; K119-E121 PolarHBondContact O-N 3.27Å; E121-K124 PolarHBondContact O-N 3.02Å
122M92.7Very high90.2Very high3 Ų372.4 Ų72.42%0.01537%0.371CS..Hα-helixtrans-68-42.8176.9-69166.568.700111.9L17 L21 L52 P78 V80 I118 K119 K124 L125L17-M122 HydrophobicContact CD2-CG 4.41Å; L21-M122 HydrophobicContact CD2-SD 4.07Å; L52-M122 HydrophobicContact CB-CE 4.37Å; L52-M122 HydrophobicContact CB-SD 4.43Å; P78-M122 HydrophobicContact CB-CE 3.9Å; P78-M122 HydrophobicContact CB-SD 4.42Å; V80-M122 HydrophobicContact CB-CE 3.72Å; V80-M122 HydrophobicContact CB-CG 4.38Å; V80-M122 HydrophobicContact CG1-CE 3.62Å; V80-M122 HydrophobicContact CG1-CG 4.37Å; V80-M122 HydrophobicContact CG1-SD 4.3Å; I118-M122 HydrophobicContact CG2-CG 4.3Å; I118-M122 HydrophobicContact CG2-SD 3.84Å; I118-M122 VanDerWaalsContact O-CG 3.31Å; I118-M122 WeakPolarHBondContact O-CG 3.45Å; I118-M122 PolarHBondContact O-N 3.04Å; K119-M122 WeakPolarHBondContact O-CB 3.42Å; K119-M122 PolarHBondContact O-N 3.09Å; K119-M122 VanDerWaalsContact O-N 3.09Å; M122-K124 PolarHBondContact O-N 3.07Å; M122-L125 WeakPolarHBondContact O-CB 3.49Å; M122-L125 PolarHBondContact O-N 3.02Å
123E89.8Confident90.2Very high111 Ų11174.6 Ų74.652%0.51938%0.381SS..Hα-helixtrans-60.1-32.6178.2-74.1169.8-174.100112.4K119 L125 L126K119-E123 WeakPolarHBondContact O-CG 3.44Å; K119-E123 PolarHBondContact O-N 3.01Å; E123-L125 PolarHBondContact O-N 3.26Å; E123-L126 PolarHBondContact O-N 3.36Å
124K90.4Very high90.1Very high151 Ų15175.4 Ų75.466%0.65737%0.372SS*.THydrogen-bonded Turntrans-66.8-17.7175.9-70.7170.8-172.9179.30114A120 E121 M122 L126A120-K124 WeakPolarHBondContact O-CD 3.41Å; A120-K124 VanDerWaalsContact O-CG 3.31Å; A120-K124 WeakPolarHBondContact O-CG 3.3Å; E121-K124 PolarHBondContact O-N 3.02Å; M122-K124 PolarHBondContact O-N 3.07Å; K124-L126 VanDerWaalsContact C-N 3.29Å
125L87.1Confident89.9Confident41 Ų4177.2 Ų77.222%0.21538%0.381CS..THydrogen-bonded Turntrans-78.4-16.9176.4-59.6178.7000113P11 L17 V80 M122 E123P11-L125 HydrophobicContact CB-CB 3.85Å; P11-L125 HydrophobicContact CB-CD1 4.26Å; P11-L125 HydrophobicContact CG-CB 4.49Å; L17-L125 HydrophobicContact CD2-CD1 3.68Å; L17-L125 HydrophobicContact CD2-CG 4.32Å; V80-L125 HydrophobicContact CG2-CD1 3.81Å; M122-L125 WeakPolarHBondContact O-CB 3.49Å; M122-L125 PolarHBondContact O-N 3.02Å; E123-L125 PolarHBondContact O-N 3.26Å
126L78.3Confident89.5Confident96 Ų9683.6 Ų83.650%0.50341%0.413SS..  trans-91-7.7-179.4-65.8174.1000112.8F10 P11 E123 K124F10-L126 HydrophobicContact CE1-CD2 3.9Å; P11-L126 HydrophobicContact CB-CD2 4.15Å; P11-L126 HydrophobicContact CG-CD2 3.71Å; P11-L126 HydrophobicContact CG-CG 4.31Å; E123-L126 PolarHBondContact O-N 3.36Å; K124-L126 VanDerWaalsContact C-N 3.29Å
127V71.5Confident89.2Confident183 Ų18381.5 Ų81.5100%1.10941%0.405SS*.  trans-99.20178.5-175.20000109.8

Retrieved 127 of 127 residues in 209.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).