A0A3Q2DFS3_CYPVA Loading...

U6 snRNA-associated Sm-like protein LSm8

Plays a role in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex that is involved in spliceosome assembly, and as component of the precatalytic spliceosome (spliceosome B complex). The heptameric LSM2-8 complex binds specifically to the 3'-terminal U-tract of U6 snRNA. Plays role in pre-mRNA splicing as component of the U4/U6-U5 tri-snRNP complex that is involved in spliceosome assembly, and as component of the precatalytic spliceosome (spliceosome B complex). The heptameric LSM2-8 complex binds specifically to the 3'-terminal U-tract of U6 snRNA.

AlphaFold DB , UniProt , Accession A0A3Q2DFS3, Species CYPVA (Cyprinodon variegatus, Sheepshead minnow), Gene LSM8, Length 96 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
1M47.1Very low83.2Confident212 Ų21292.5 Ų92.5100%1.04451%0.505SS*.  0114.70-65.2-71.7-145.500105.1T3M1-T3 PolarHBondContact O-N 3.23Å
2S51Low84.5Confident120 Ų12086.6 Ų86.684%0.83947%0.474SS*.  trans-53.2106.8-162.443.50000113A4S2-A4 PolarHBondContact O-N 3.19Å; S2-A4 VanDerWaalsContact O-N 3.14Å
3T67.4Low85.5Confident82 Ų8279.9 Ų79.950%0.50344%0.438SS..  trans-75.516.3-177.646.30000113.8M1 L5 E6M1-T3 PolarHBondContact O-N 3.23Å; T3-L5 VanDerWaalsContact C-N 3.25Å; T3-L5 PolarHBondContact O-N 3.14Å; T3-E6 WeakPolarHBondContact CB-OE2 3.49Å; T3-E6 HydrophobicContact CG2-CG 4.45Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.42Å; T3-E6 WeakPolarHBondContact O-CB 3.22Å; T3-E6 PolarHBondContact O-N 2.8Å
4A82.4Confident86.4Confident67 Ų6775.4 Ų75.455%0.55442%0.416SS*.THydrogen-bonded Turntrans-63.6-29.3-170.200000113.4S2 S7S2-A4 PolarHBondContact O-N 3.19Å; S2-A4 VanDerWaalsContact O-N 3.14Å; A4-S7 PolarHBondContact O-OG 3.33Å
5L91.3Very high87.2Confident21 Ų2170.4 Ų70.411%0.1139%0.389CS..THydrogen-bonded Turntrans-85.6-15.5176.2-66.5178.7000113.6T3 S7 Y8 I9 F30 I34 L36 I70T3-L5 VanDerWaalsContact C-N 3.25Å; T3-L5 PolarHBondContact O-N 3.14Å; L5-S7 PolarHBondContact O-N 3.24Å; L5-Y8 HydrophobicContact CD2-CD2 3.85Å; L5-Y8 HydrophobicContact CD2-CE2 4.38Å; L5-Y8 PolarHBondContact O-N 2.69Å; L5-I9 PolarHBondContact O-N 3.4Å; L5-F30 HydrophobicContact CB-CD1 3.85Å; L5-F30 HydrophobicContact CB-CD2 4.15Å; L5-F30 HydrophobicContact CB-CE1 3.69Å; L5-F30 HydrophobicContact CB-CE2 4Å; L5-F30 HydrophobicContact CB-CG 4.09Å; L5-F30 HydrophobicContact CB-CZ 3.78Å; L5-F30 HydrophobicContact CD1-CB 4.47Å; L5-F30 HydrophobicContact CD1-CD2 4.1Å; L5-F30 HydrophobicContact CD1-CG 4.17Å; L5-I34 HydrophobicContact CD1-CD1 3.8Å; L5-I34 HydrophobicContact CD1-CG2 4.19Å; L5-L36 HydrophobicContact CD1-CD2 4.49Å; L5-I70 HydrophobicContact CD1-CD1 3.81Å; L5-I70 HydrophobicContact CD2-CB 4.27Å; L5-I70 HydrophobicContact CD2-CD1 3.54Å; L5-I70 HydrophobicContact CD2-CG1 4.49Å; L5-I70 HydrophobicContact CD2-CG2 3.97Å; L5-I70 HydrophobicContact CG-CD1 4.32Å
6E94.1Very high87.9Confident118 Ų11868.2 Ų68.255%0.55138%0.378SS*.G310 helixtrans-61.8-35.8176.4-64.9-177.9170.700110.9T3 Y8 I9 F30T3-E6 WeakPolarHBondContact CB-OE2 3.49Å; T3-E6 HydrophobicContact CG2-CG 4.45Å; T3-E6 WeakPolarHBondContact CG2-OE2 3.42Å; T3-E6 WeakPolarHBondContact O-CB 3.22Å; T3-E6 PolarHBondContact O-N 2.8Å; E6-Y8 PolarHBondContact O-N 2.86Å; E6-I9 PolarHBondContact O-N 3.37Å; E6-F30 HydrophobicContact CG-CE1 4.34Å; E6-F30 HydrophobicContact CG-CZ 3.8Å
7S94.4Very high88.4Confident63 Ų6364.6 Ų64.644%0.44136%0.358SS..G310 helixtrans-67.1-16.2175.8510000113.9A4 L5 R11A4-S7 PolarHBondContact O-OG 3.33Å; L5-S7 PolarHBondContact O-N 3.24Å; S7-R11 WeakPolarHBondContact O-CD 3.16Å; S7-R11 PolarHBondContact O-NE 3.13Å
8Y96.1Very high88.8Confident59 Ų5962.5 Ų62.523%0.23135%0.348CS..G310 helixtrans-96.8-5.9-179-64.8-5.4000112.9L5 E6 N10 R11 V13 I70 E72L5-Y8 HydrophobicContact CD2-CD2 3.85Å; L5-Y8 HydrophobicContact CD2-CE2 4.38Å; L5-Y8 PolarHBondContact O-N 2.69Å; E6-Y8 PolarHBondContact O-N 2.86Å; Y8-N10 PolarHBondContact O-N 3.07Å; Y8-R11 WeakPolarHBondContact O-CB 3.42Å; Y8-R11 PolarHBondContact O-N 3.29Å; Y8-V13 HydrophobicContact CD2-CG1 4.18Å; Y8-V13 HydrophobicContact CG-CG1 4.26Å; Y8-I70 HydrophobicContact CD2-CG2 3.81Å; Y8-I70 HydrophobicContact CE2-CG2 4.08Å; Y8-E72 HydrophobicContact CD1-CB 4.17Å; Y8-E72 HydrophobicContact CE1-CB 3.8Å; Y8-E72 WeakPolarHBondContact CE1-OE2 3.18Å
9I96.9Very high89.1Confident56 Ų5663.3 Ų63.329%0.28735%0.352SS..THydrogen-bonded Turntrans-58.9132.3175.7-68.8-68.5000110.2L5 E6 R11 L27 F30L5-I9 PolarHBondContact O-N 3.4Å; E6-I9 PolarHBondContact O-N 3.37Å; I9-R11 PolarHBondContact O-N 3.05Å; I9-L27 HydrophobicContact CD1-CD2 4.35Å; I9-L27 HydrophobicContact CD1-CG 4.27Å; I9-F30 HydrophobicContact CD1-CD1 3.76Å; I9-F30 HydrophobicContact CD1-CE1 3.84Å; I9-F30 HydrophobicContact CG1-CD1 4.38Å; I9-F30 HydrophobicContact CG1-CE1 3.99Å
10N97.3Very high89.4Confident107 Ų10760.9 Ų60.957%0.57234%0.342SS*.THydrogen-bonded Turntrans59.519-174.8-57.3-50.5000114.7Y8 L27Y8-N10 PolarHBondContact O-N 3.07Å; N10-L27 PolarHBondContact N-O 3.3Å
11R97.7Very high89.8Confident113 Ų11361.3 Ų61.343%0.42634%0.338SS..SBendtrans-105154.7169.4-55.8-163.7-179-173.5-3110.6S7 Y8 I9 T26 L27 E72S7-R11 WeakPolarHBondContact O-CD 3.16Å; S7-R11 PolarHBondContact O-NE 3.13Å; Y8-R11 WeakPolarHBondContact O-CB 3.42Å; Y8-R11 PolarHBondContact O-N 3.29Å; I9-R11 PolarHBondContact O-N 3.05Å; R11-T26 WeakPolarHBondContact O-CA 3.47Å; R11-L27 PolarHBondContact O-N 2.97Å; R11-E72 VanDerWaalsContact CD-CD 3.44Å; R11-E72 WeakPolarHBondContact CD-OE1 3.41Å; R11-E72 IonicContact CZ-OE1 3.68Å; R11-E72 IonicContact CZ-OE2 3.75Å; R11-E72 IonicContact NE-OE1 2.89Å; R11-E72 IonicContact NH1-OE1 3.86Å; R11-E72 PolarHBondContact NH1-OE1 2.91Å; R11-E72 IonicContact NH1-OE2 3.32Å; R11-E72 PolarHBondContact NH1-OE2 2.82Å
12T98Very high92.2Very high21 Ų2153 Ų5313%0.12930%0.297CS..EExtended strand (participates in β ladder)trans-73.1127170.6-61.70000109.6V24 I73 E75T12-V24 HydrophobicContact CG2-CG1 3.78Å; T12-I73 HydrophobicContact CG2-CB 4.14Å; T12-I73 HydrophobicContact CG2-CD1 4.19Å; T12-I73 HydrophobicContact CG2-CG2 4.48Å; T12-I73 PolarHBondContact O-N 2.79Å; T12-E75 WeakPolarHBondContact CB-OE1 3.42Å; T12-E75 PolarHBondContact OG1-OE1 3.48Å
13V98.1Very high94.4Very high0 Ų047.3 Ų47.30%026%0.257CS..EExtended strand (participates in β ladder)trans-128.6146-178.4-64.60000110.8Y8 I15 V24 G25 L27 L38 I70 G71Y8-V13 HydrophobicContact CD2-CG1 4.18Å; Y8-V13 HydrophobicContact CG-CG1 4.26Å; V13-I15 HydrophobicContact CB-CD1 4.11Å; V13-I15 HydrophobicContact CG2-CD1 3.62Å; V13-I15 HydrophobicContact CG2-CG1 4.37Å; V13-V24 WeakPolarHBondContact O-CA 3.12Å; V13-G25 WeakPolarHBondContact CG2-O 3.19Å; V13-G25 PolarHBondContact N-O 2.84Å; V13-G25 PolarHBondContact O-N 2.8Å; V13-G25 VanDerWaalsContact O-N 3.09Å; V13-L27 HydrophobicContact CG1-CB 4.41Å; V13-L27 HydrophobicContact CG2-CB 3.94Å; V13-L38 HydrophobicContact CG2-CD2 3.91Å; V13-I70 HydrophobicContact CB-CG2 4.34Å; V13-I70 HydrophobicContact CG1-CG2 4.41Å; V13-G71 CarbonylContact C-O 3.49Å; V13-G71 VanDerWaalsContact CA-O 3.23Å; V13-G71 WeakPolarHBondContact CA-O 3.44Å
14A98Very high95.9Very high17 Ų1743.5 Ų43.514%0.1423%0.234CC..EExtended strand (participates in β ladder)trans-97.4125.2165.500000109.5I23 V24 G71 I73A14-I23 CarbonylContact C-O 3.59Å; A14-V24 HydrophobicContact CB-CG2 4.22Å; A14-G71 PolarHBondContact N-O 2.83Å; A14-G71 PolarHBondContact O-N 3.16Å; A14-I73 HydrophobicContact CB-CD1 3.67Å; A14-I73 HydrophobicContact CB-CG1 4.04Å
15I98Very high96.7Very high0 Ų040.4 Ų40.40%021%0.209CC..EExtended strand (participates in β ladder)trans-106.5122175.4-47.6-44.6000108.4V13 T17 M22 I23 L36 L38 V67 V69 I70V13-I15 HydrophobicContact CB-CD1 4.11Å; V13-I15 HydrophobicContact CG2-CD1 3.62Å; V13-I15 HydrophobicContact CG2-CG1 4.37Å; I15-T17 HydrophobicContact CG2-CG2 4.49Å; I15-M22 CarbonylContact O-C 3.59Å; I15-M22 WeakPolarHBondContact O-CA 3.49Å; I15-I23 HydrophobicContact CB-CB 4.47Å; I15-I23 PolarHBondContact N-O 3.21Å; I15-I23 PolarHBondContact O-N 2.78Å; I15-L36 HydrophobicContact CD1-CD1 3.79Å; I15-L36 HydrophobicContact CG1-CD1 3.99Å; I15-L36 HydrophobicContact CG2-CD1 4.14Å; I15-L38 HydrophobicContact CG1-CD1 3.8Å; I15-L38 HydrophobicContact CG1-CD2 4.32Å; I15-V67 HydrophobicContact CG2-CG1 4.22Å; I15-V67 HydrophobicContact CG2-CG2 4.46Å; I15-V69 WeakPolarHBondContact CA-O 3.4Å; I15-I70 HydrophobicContact CD1-CB 4.13Å; I15-I70 HydrophobicContact CD1-CG1 3.95Å; I15-I70 HydrophobicContact CD1-CG2 3.69Å
16V97.9Very high97Very high35 Ų3540.4 Ų40.421%0.21221%0.209CC..EExtended strand (participates in β ladder)trans-96.2126.1165.7-176.80000107.8R21 M22 A68 V69 L91V16-R21 WeakPolarHBondContact CA-O 3.38Å; V16-M22 HydrophobicContact CG2-CE 4.13Å; V16-A68 WeakPolarHBondContact O-CA 3.38Å; V16-A68 WeakPolarHBondContact O-CB 3.24Å; V16-A68 PolarHBondContact O-N 2.91Å; V16-V69 HydrophobicContact CB-CB 4.09Å; V16-V69 HydrophobicContact CG2-CB 4.39Å; V16-V69 PolarHBondContact N-O 2.92Å; V16-V69 PolarHBondContact O-N 2.85Å; V16-V69 VanDerWaalsContact O-N 3.1Å; V16-L91 HydrophobicContact CG1-CD1 4.23Å
17T97Very high97.2Very high8 Ų834.8 Ų34.85%0.04918%0.183CC..EExtended strand (participates in β ladder)trans-95.2155.7-179.551.20000111I15 D19 G20 R21 I23 V62 N66I15-T17 HydrophobicContact CG2-CG2 4.49Å; T17-D19 WeakPolarHBondContact CB-OD1 3.46Å; T17-D19 PolarHBondContact O-N 3.26Å; T17-D19 PolarHBondContact OG1-OD1 3.21Å; T17-G20 PolarHBondContact O-N 3.19Å; T17-R21 PolarHBondContact N-O 2.68Å; T17-R21 WeakPolarHBondContact OG1-CA 3.3Å; T17-R21 VanDerWaalsContact OG1-CB 3.24Å; T17-R21 WeakPolarHBondContact OG1-CB 3.44Å; T17-R21 PolarHBondContact OG1-N 3.09Å; T17-R21 PolarHBondContact OG1-O 3.05Å; T17-I23 HydrophobicContact CG2-CD1 4.19Å; T17-V62 HydrophobicContact CG2-CG1 4.35Å; T17-N66 CarbonylContact C-O 3.59Å; T17-N66 WeakPolarHBondContact CA-O 3.49Å
18S96.4Very high97.4Very high26 Ų2636.2 Ų36.218%0.18218%0.182CC..THydrogen-bonded Turntrans-60.2-24.4-179.8610000114.1G20 N66 S93 V94S18-G20 VanDerWaalsContact C-N 3.34Å; S18-N66 PolarHBondContact N-O 3.4Å; S18-N66 WeakPolarHBondContact OG-CA 3.45Å; S18-S93 CarbonylContact O-C 3.46Å; S18-S93 VanDerWaalsContact O-CA 3.24Å; S18-S93 WeakPolarHBondContact O-CA 3.35Å; S18-S93 WeakPolarHBondContact O-CB 3.2Å; S18-V94 PolarHBondContact O-N 2.91Å
19D94.6Very high97.4Very high78 Ų7834.2 Ų34.242%0.41718%0.179SC..THydrogen-bonded Turntrans-85.8-2.1176.460.5-26.9000113.4T17 R21 S93T17-D19 WeakPolarHBondContact CB-OD1 3.46Å; T17-D19 PolarHBondContact O-N 3.26Å; T17-D19 PolarHBondContact OG1-OD1 3.21Å; D19-R21 WeakPolarHBondContact OD2-CD 3.45Å; D19-S93 PolarHBondContact O-OG 3.2Å; D19-S93 VanDerWaalsContact O-OG 3.05Å
20G95.3Very high97.5Very high14 Ų1435 Ų3514%0.14418%0.18CC..SBendtrans9425.417500000114.3T17 S18 L91T17-G20 PolarHBondContact O-N 3.19Å; S18-G20 VanDerWaalsContact C-N 3.34Å; G20-L91 WeakPolarHBondContact O-CB 3.15Å
21R96.4Very high97.4Very high71 Ų7133 Ų3327%0.26817%0.17SC..  trans-102.8145175.9-53.2165.564-160.3-1.3110.8V16 T17 D19 E43V16-R21 WeakPolarHBondContact CA-O 3.38Å; T17-R21 PolarHBondContact N-O 2.68Å; T17-R21 WeakPolarHBondContact OG1-CA 3.3Å; T17-R21 VanDerWaalsContact OG1-CB 3.24Å; T17-R21 WeakPolarHBondContact OG1-CB 3.44Å; T17-R21 PolarHBondContact OG1-N 3.09Å; T17-R21 PolarHBondContact OG1-O 3.05Å; D19-R21 WeakPolarHBondContact OD2-CD 3.45Å; R21-E43 WeakPolarHBondContact CB-OE1 3.45Å; R21-E43 WeakPolarHBondContact CG-OE1 3.34Å; R21-E43 IonicContact CZ-OE1 2.78Å; R21-E43 IonicContact CZ-OE2 2.67Å; R21-E43 IonicContact NE-OE1 3.83Å; R21-E43 PolarHBondContact NE-OE1 2.67Å; R21-E43 IonicContact NE-OE2 3.97Å; R21-E43 PolarHBondContact NE-OE2 2.94Å; R21-E43 IonicContact NH2-OE1 2.76Å; R21-E43 IonicContact NH2-OE2 2.94Å; R21-E43 PolarHBondContact NH2-OE2 2.78Å
22M97.6Very high97.1Very high37 Ų3736.5 Ų36.518%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-107.2119171.7180173.3-78.400109.8I15 V16 E43 R44 F46 L91I15-M22 CarbonylContact O-C 3.59Å; I15-M22 WeakPolarHBondContact O-CA 3.49Å; V16-M22 HydrophobicContact CG2-CE 4.13Å; M22-E43 CarbonylContact O-C 3.52Å; M22-E43 WeakPolarHBondContact O-CA 3.35Å; M22-R44 HydrophobicContact CB-CB 4.38Å; M22-R44 HydrophobicContact CG-CB 4.35Å; M22-R44 PolarHBondContact O-N 3.13Å; M22-R44 HydrophobicContact SD-CB 4.4Å; M22-F46 HydrophobicContact CB-CE2 3.92Å; M22-F46 HydrophobicContact CE-CE2 4.31Å; M22-F46 HydrophobicContact CE-CZ 4.41Å; M22-F46 HydrophobicContact CG-CE2 4.41Å; M22-F46 HydrophobicContact SD-CE2 3.72Å; M22-F46 HydrophobicContact SD-CZ 3.69Å; M22-L91 HydrophobicContact CB-CD1 4.23Å
23I98.3Very high96.9Very high0 Ų039.5 Ų39.50%021%0.209CC..EExtended strand (participates in β ladder)trans-115.3125.9178.5-55.9176000108.2A14 I15 T17 L38 L57 Y60 V62A14-I23 CarbonylContact C-O 3.59Å; I15-I23 HydrophobicContact CB-CB 4.47Å; I15-I23 PolarHBondContact N-O 3.21Å; I15-I23 PolarHBondContact O-N 2.78Å; T17-I23 HydrophobicContact CG2-CD1 4.19Å; I23-L38 HydrophobicContact CG2-CD1 3.8Å; I23-L57 HydrophobicContact CD1-CD1 4.47Å; I23-L57 HydrophobicContact CG2-CD1 4.13Å; I23-Y60 HydrophobicContact CD1-CD1 4.02Å; I23-Y60 HydrophobicContact CD1-CE1 3.45Å; I23-Y60 VanDerWaalsContact CD1-CE1 3.45Å; I23-V62 HydrophobicContact CD1-CG2 4.46Å
24V98.3Very high96.8Very high2 Ų242.5 Ų42.51%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-107.5138174176.80000108.8T12 V13 A14 S41 H42 R44 I73T12-V24 HydrophobicContact CG2-CG1 3.78Å; V13-V24 WeakPolarHBondContact O-CA 3.12Å; A14-V24 HydrophobicContact CB-CG2 4.22Å; V24-S41 CarbonylContact O-C 3.59Å; V24-S41 WeakPolarHBondContact O-CA 3.42Å; V24-S41 WeakPolarHBondContact O-CB 3.13Å; V24-H42 PolarHBondContact N-O 2.86Å; V24-H42 PolarHBondContact O-N 2.74Å; V24-R44 HydrophobicContact CG2-CG 4.34Å; V24-I73 HydrophobicContact CB-CD1 4.33Å; V24-I73 HydrophobicContact CG1-CD1 3.61Å; V24-I73 HydrophobicContact CG2-CD1 3.8Å
25G98.3Very high96.8Very high3 Ų344 Ų443%0.03123%0.23CC..EExtended strand (participates in β ladder)trans-177.1175.4174.900000112V13V13-G25 WeakPolarHBondContact CG2-O 3.19Å; V13-G25 PolarHBondContact N-O 2.84Å; V13-G25 PolarHBondContact O-N 2.8Å; V13-G25 VanDerWaalsContact O-N 3.09Å
26T98.3Very high96.8Very high20 Ų2044 Ų4412%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-84.6123176.1-53.30000110.3R11 K28 L38 D39R11-T26 WeakPolarHBondContact O-CA 3.47Å; T26-K28 HydrophobicContact CG2-CD 4.32Å; T26-K28 PolarHBondContact O-N 2.94Å; T26-K28 VanDerWaalsContact O-N 3.17Å; T26-L38 WeakPolarHBondContact O-CA 3.31Å; T26-D39 PolarHBondContact N-O 3.24Å; T26-D39 PolarHBondContact O-N 2.94Å
27L98.3Very high96.8Very high0 Ų045.8 Ų45.80%024%0.238CC..EExtended strand (participates in β ladder)trans-71.9110.3176.8-178.366.3000110.5I9 N10 R11 V13 G29 F30 L36 L38I9-L27 HydrophobicContact CD1-CD2 4.35Å; I9-L27 HydrophobicContact CD1-CG 4.27Å; N10-L27 PolarHBondContact N-O 3.3Å; R11-L27 PolarHBondContact O-N 2.97Å; V13-L27 HydrophobicContact CG1-CB 4.41Å; V13-L27 HydrophobicContact CG2-CB 3.94Å; L27-G29 WeakPolarHBondContact CD1-O 3.24Å; L27-F30 HydrophobicContact CD2-CD1 4.35Å; L27-L36 HydrophobicContact CD1-CB 4.19Å; L27-L36 HydrophobicContact CD1-CD2 4.04Å; L27-L38 HydrophobicContact CB-CD2 4.43Å; L27-L38 HydrophobicContact CD1-CD2 4.09Å
28K98.2Very high96.8Very high94 Ų9445.4 Ų45.441%0.40924%0.235SC..EExtended strand (participates in β ladder)trans-91.9-27.1177.4-64.2-58.8-176.5-1790113.3T26 I37 D39T26-K28 HydrophobicContact CG2-CD 4.32Å; T26-K28 PolarHBondContact O-N 2.94Å; T26-K28 VanDerWaalsContact O-N 3.17Å; K28-I37 HydrophobicContact CB-CG2 4.22Å; K28-I37 PolarHBondContact N-O 2.8Å; K28-D39 HydrophobicContact CD-CB 4.14Å; K28-D39 WeakPolarHBondContact CE-OD2 3.17Å; K28-D39 HydrophobicContact CG-CB 3.59Å; K28-D39 IonicContact NZ-OD2 2.63Å
29G97.2Very high96.9Very high16 Ų1646.6 Ų46.617%0.16524%0.24CC..EExtended strand (participates in β ladder)trans-171.5158.4-17900000112.4L27 I37L27-G29 WeakPolarHBondContact CD1-O 3.24Å; G29-I37 PolarHBondContact O-N 2.83Å
30F97.6Very high97.1Very high73 Ų7350 Ų5032%0.3225%0.253SS..EExtended strand (participates in β ladder)trans-144.7164.8172.565.8-85.4000110.3L5 E6 I9 L27 N35 L36L5-F30 HydrophobicContact CB-CD1 3.85Å; L5-F30 HydrophobicContact CB-CD2 4.15Å; L5-F30 HydrophobicContact CB-CE1 3.69Å; L5-F30 HydrophobicContact CB-CE2 4Å; L5-F30 HydrophobicContact CB-CG 4.09Å; L5-F30 HydrophobicContact CB-CZ 3.78Å; L5-F30 HydrophobicContact CD1-CB 4.47Å; L5-F30 HydrophobicContact CD1-CD2 4.1Å; L5-F30 HydrophobicContact CD1-CG 4.17Å; E6-F30 HydrophobicContact CG-CE1 4.34Å; E6-F30 HydrophobicContact CG-CZ 3.8Å; I9-F30 HydrophobicContact CD1-CD1 3.76Å; I9-F30 HydrophobicContact CD1-CE1 3.84Å; I9-F30 HydrophobicContact CG1-CD1 4.38Å; I9-F30 HydrophobicContact CG1-CE1 3.99Å; L27-F30 HydrophobicContact CD2-CD1 4.35Å; F30-N35 WeakPolarHBondContact CA-O 3.43Å; F30-L36 HydrophobicContact CB-CD2 3.84Å
31D95.4Very high97.2Very high66 Ų6649.4 Ų49.435%0.35325%0.247SC..  trans-120.5-179.2171.571.320.2000112.8T33 I34 N35D31-T33 PolarHBondContact O-N 2.85Å; D31-T33 VanDerWaalsContact O-N 3.14Å; D31-T33 WeakPolarHBondContact OD1-CA 3.33Å; D31-T33 PolarHBondContact OD1-N 2.84Å; D31-T33 PolarHBondContact OD1-OG1 2.65Å; D31-T33 PolarHBondContact OD2-OG1 2.88Å; D31-I34 PolarHBondContact O-N 3.01Å; D31-I34 PolarHBondContact OD1-N 3.44Å; D31-I34 VanDerWaalsContact OD1-N 3.15Å; D31-N35 PolarHBondContact N-O 3.02Å; D31-N35 PolarHBondContact OD1-N 3.44Å; D31-N35 PolarHBondContact OD1-ND2 2.92Å; D31-N35 WeakPolarHBondContact OD2-CB 3.41Å; D31-N35 PolarHBondContact OD2-ND2 2.85Å
32Q92.9Very high97.3Very high185 Ų18547.6 Ų47.686%0.86424%0.241SC*.THydrogen-bonded Turntrans-65.2-15.5-177.6-63.5-178.112.300113.7
33T93.9Very high97.3Very high85 Ų8547.2 Ų47.252%0.52124%0.239SC..THydrogen-bonded Turntrans-1019.5176.553.60000112.6D31 N35 G64D31-T33 PolarHBondContact O-N 2.85Å; D31-T33 VanDerWaalsContact O-N 3.14Å; D31-T33 WeakPolarHBondContact OD1-CA 3.33Å; D31-T33 PolarHBondContact OD1-N 2.84Å; D31-T33 PolarHBondContact OD1-OG1 2.65Å; D31-T33 PolarHBondContact OD2-OG1 2.88Å; T33-N35 PolarHBondContact O-N 3Å; T33-N35 PolarHBondContact OG1-ND2 3.47Å; T33-G64 WeakPolarHBondContact O-CA 3.44Å
34I95.6Very high97.3Very high63 Ų6348.1 Ų48.132%0.32324%0.243SC..  trans65.125.7179.8-41.4-60.1000112L5 D31 L36 G64 V67 I70L5-I34 HydrophobicContact CD1-CD1 3.8Å; L5-I34 HydrophobicContact CD1-CG2 4.19Å; D31-I34 PolarHBondContact O-N 3.01Å; D31-I34 PolarHBondContact OD1-N 3.44Å; D31-I34 VanDerWaalsContact OD1-N 3.15Å; I34-L36 HydrophobicContact CG2-CD2 4.02Å; I34-L36 WeakPolarHBondContact O-CG 3.38Å; I34-L36 PolarHBondContact O-N 3.08Å; I34-G64 VanDerWaalsContact C-CA 3.48Å; I34-G64 WeakPolarHBondContact O-CA 3.48Å; I34-V67 HydrophobicContact CG2-CB 4.36Å; I34-V67 HydrophobicContact CG2-CG1 4.19Å; I34-V67 HydrophobicContact CG2-CG2 4.47Å; I34-I70 HydrophobicContact CG2-CD1 3.82Å
35N96.7Very high97.2Very high47 Ų4750.7 Ų50.725%0.25126%0.258SS..  trans-66.6130.7162.8-60.4-50.7000107.9F30 D31 T33 V62 R63 G64F30-N35 WeakPolarHBondContact CA-O 3.43Å; D31-N35 PolarHBondContact N-O 3.02Å; D31-N35 PolarHBondContact OD1-N 3.44Å; D31-N35 PolarHBondContact OD1-ND2 2.92Å; D31-N35 WeakPolarHBondContact OD2-CB 3.41Å; D31-N35 PolarHBondContact OD2-ND2 2.85Å; T33-N35 PolarHBondContact O-N 3Å; T33-N35 PolarHBondContact OG1-ND2 3.47Å; N35-V62 CarbonylContact C-O 3.59Å; N35-V62 WeakPolarHBondContact CA-O 3.16Å; N35-R63 WeakPolarHBondContact OD1-CA 3.43Å; N35-G64 PolarHBondContact OD1-N 2.84Å
36L97.8Very high97.1Very high0 Ų052.6 Ų52.60%027%0.265CS..EExtended strand (participates in β ladder)trans-113.8138-173.6-51.6178.9000110.5L5 I15 L27 F30 I34 I61 V62 V67 I70L5-L36 HydrophobicContact CD1-CD2 4.49Å; I15-L36 HydrophobicContact CD1-CD1 3.79Å; I15-L36 HydrophobicContact CG1-CD1 3.99Å; I15-L36 HydrophobicContact CG2-CD1 4.14Å; L27-L36 HydrophobicContact CD1-CB 4.19Å; L27-L36 HydrophobicContact CD1-CD2 4.04Å; F30-L36 HydrophobicContact CB-CD2 3.84Å; I34-L36 HydrophobicContact CG2-CD2 4.02Å; I34-L36 WeakPolarHBondContact O-CG 3.38Å; I34-L36 PolarHBondContact O-N 3.08Å; L36-I61 CarbonylContact O-C 3.56Å; L36-I61 VanDerWaalsContact O-CA 3.31Å; L36-I61 WeakPolarHBondContact O-CA 3.36Å; L36-V62 HydrophobicContact CB-CB 4.24Å; L36-V62 PolarHBondContact N-O 3.39Å; L36-V62 PolarHBondContact O-N 2.8Å; L36-V67 HydrophobicContact CD1-CG1 4.39Å; L36-V67 HydrophobicContact CD1-CG2 3.95Å; L36-V67 HydrophobicContact CG-CG2 4.26Å; L36-I70 HydrophobicContact CD1-CD1 3.9Å; L36-I70 HydrophobicContact CD1-CG1 4.17Å; L36-I70 HydrophobicContact CD2-CD1 4.06Å
37I98.3Very high96.9Very high73 Ų7353 Ų5337%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-106.5115167.3-55.6175.3000107.3K28 G29 L59K28-I37 HydrophobicContact CB-CG2 4.22Å; K28-I37 PolarHBondContact N-O 2.8Å; G29-I37 PolarHBondContact O-N 2.83Å; I37-L59 HydrophobicContact CG2-CD1 3.95Å
38L98.5Very high96.7Very high0 Ų055.6 Ų55.60%029%0.287CS..EExtended strand (participates in β ladder)trans-109.5135.5177.4-57.2177000109.5V13 I15 I23 T26 L27 L59 Y60 V62V13-L38 HydrophobicContact CG2-CD2 3.91Å; I15-L38 HydrophobicContact CG1-CD1 3.8Å; I15-L38 HydrophobicContact CG1-CD2 4.32Å; I23-L38 HydrophobicContact CG2-CD1 3.8Å; T26-L38 WeakPolarHBondContact O-CA 3.31Å; L27-L38 HydrophobicContact CB-CD2 4.43Å; L27-L38 HydrophobicContact CD1-CD2 4.09Å; L38-L59 CarbonylContact O-C 3.48Å; L38-L59 WeakPolarHBondContact O-CA 3.32Å; L38-Y60 PolarHBondContact N-O 3.37Å; L38-Y60 PolarHBondContact O-N 3.38Å; L38-V62 HydrophobicContact CD1-CG2 3.96Å
39D98.4Very high96.5Very high52 Ų5255.8 Ų55.828%0.27830%0.297SS..EExtended strand (participates in β ladder)trans-109.8159.9171.8-162.813.9000110.3T26 K28 S41 L59T26-D39 PolarHBondContact N-O 3.24Å; T26-D39 PolarHBondContact O-N 2.94Å; K28-D39 HydrophobicContact CD-CB 4.14Å; K28-D39 WeakPolarHBondContact CE-OD2 3.17Å; K28-D39 HydrophobicContact CG-CB 3.59Å; K28-D39 IonicContact NZ-OD2 2.63Å; D39-S41 PolarHBondContact O-N 2.87Å; D39-L59 HydrophobicContact CB-CD1 4.46Å
40E97.6Very high96.4Very high150 Ų15060.4 Ų60.470%0.70131%0.314SS*.EExtended strand (participates in β ladder)trans4834.3-177.9-59.7-174.816600113.1G58E40-G58 PolarHBondContact N-O 2.88Å
41S98.1Very high96.3Very high1 Ų157.7 Ų57.71%0.00731%0.306CS..EExtended strand (participates in β ladder)trans-81.9149.7-16965.20000112.8V24 D39 L57 G58 Y60V24-S41 CarbonylContact O-C 3.59Å; V24-S41 WeakPolarHBondContact O-CA 3.42Å; V24-S41 WeakPolarHBondContact O-CB 3.13Å; D39-S41 PolarHBondContact O-N 2.87Å; S41-L57 WeakPolarHBondContact O-CA 3.44Å; S41-L57 PolarHBondContact O-N 3.36Å; S41-L57 WeakPolarHBondContact OG-CB 3.45Å; S41-G58 WeakPolarHBondContact CB-O 3.37Å; S41-G58 PolarHBondContact N-O 3.15Å; S41-G58 PolarHBondContact O-N 2.72Å; S41-G58 PolarHBondContact OG-O 2.99Å; S41-Y60 WeakPolarHBondContact OG-CB 3.4Å
42H98.1Very high96.3Very high33 Ų3355.1 Ų55.115%0.15329%0.293CS..EExtended strand (participates in β ladder)trans-143.7146.8173.360.6-84.7000110.5V24 Q54 V55V24-H42 PolarHBondContact N-O 2.86Å; V24-H42 PolarHBondContact O-N 2.74Å; H42-Q54 PolarHBondContact CD2-NE2 2.84Å; H42-Q54 PolarHBondContact NE2-NE2 3.45Å; H42-V55 CarbonylContact C-O 2.92Å; H42-V55 WeakPolarHBondContact CA-O 3.15Å; H42-V55 WeakPolarHBondContact CB-O 3.38Å
43E98Very high96.5Very high29 Ų2951.2 Ų51.214%0.13628%0.275CS..EExtended strand (participates in β ladder)trans-87.4136172.1179.4173.1-167.400110.4R21 M22 V45 Q54 V55 L57R21-E43 WeakPolarHBondContact CB-OE1 3.45Å; R21-E43 WeakPolarHBondContact CG-OE1 3.34Å; R21-E43 IonicContact CZ-OE1 2.78Å; R21-E43 IonicContact CZ-OE2 2.67Å; R21-E43 IonicContact NE-OE1 3.83Å; R21-E43 PolarHBondContact NE-OE1 2.67Å; R21-E43 IonicContact NE-OE2 3.97Å; R21-E43 PolarHBondContact NE-OE2 2.94Å; R21-E43 IonicContact NH2-OE1 2.76Å; R21-E43 IonicContact NH2-OE2 2.94Å; R21-E43 PolarHBondContact NH2-OE2 2.78Å; M22-E43 CarbonylContact O-C 3.52Å; M22-E43 WeakPolarHBondContact O-CA 3.35Å; E43-V45 HydrophobicContact CG-CG2 3.97Å; E43-Q54 CarbonylContact O-C 3.46Å; E43-Q54 VanDerWaalsContact O-CA 3.3Å; E43-Q54 WeakPolarHBondContact O-CA 3.39Å; E43-V55 HydrophobicContact CB-CB 4.33Å; E43-V55 PolarHBondContact N-O 2.74Å; E43-V55 PolarHBondContact O-N 2.9Å; E43-L57 HydrophobicContact CB-CD1 4.26Å
44R97.1Very high96.6Very high19 Ų1952.1 Ų52.17%0.07227%0.273CS..EExtended strand (participates in β ladder)trans-96.9111169-69.6-175.4-176.2-174.7-0.6109.1M22 V24 F46 V52 E53 D78M22-R44 HydrophobicContact CB-CB 4.38Å; M22-R44 HydrophobicContact CG-CB 4.35Å; M22-R44 PolarHBondContact O-N 3.13Å; M22-R44 HydrophobicContact SD-CB 4.4Å; V24-R44 HydrophobicContact CG2-CG 4.34Å; R44-F46 HydrophobicContact CB-CE2 4.09Å; R44-F46 HydrophobicContact CB-CZ 4.15Å; R44-V52 HydrophobicContact CB-CG1 3.85Å; R44-V52 HydrophobicContact CG-CG1 4.21Å; R44-E53 WeakPolarHBondContact CA-O 3.35Å; R44-D78 IonicContact CZ-OD1 3.65Å; R44-D78 VanDerWaalsContact CZ-OD1 3.32Å; R44-D78 IonicContact CZ-OD2 3.4Å; R44-D78 IonicContact NH1-OD1 2.83Å; R44-D78 PolarHBondContact NH1-OD1 2.76Å; R44-D78 IonicContact NH1-OD2 3.23Å; R44-D78 IonicContact NH2-OD1 2.8Å; R44-D78 PolarHBondContact NH2-OD1 3Å; R44-D78 IonicContact NH2-OD2 3.65Å; R44-D78 PolarHBondContact NH2-OD2 3.12Å
45V96.7Very high96.6Very high55 Ų5552.2 Ų52.233%0.33328%0.276SS..EExtended strand (participates in β ladder)trans-97.1115.5178.7-176.20000109E43 V52 E53 V55E43-V45 HydrophobicContact CG-CG2 3.97Å; V45-V52 WeakPolarHBondContact O-CA 3.36Å; V45-E53 HydrophobicContact CB-CB 4.36Å; V45-E53 PolarHBondContact N-O 3.1Å; V45-E53 PolarHBondContact O-N 3.09Å; V45-E53 VanDerWaalsContact O-N 3.13Å; V45-V55 HydrophobicContact CG2-CG2 4.22Å
46F96Very high96.7Very high43 Ų4355.8 Ų55.819%0.18930%0.3CS..  trans-90.7139179.8-62.3-83.3000111.3M22 R44 V52 A88M22-F46 HydrophobicContact CB-CE2 3.92Å; M22-F46 HydrophobicContact CE-CE2 4.31Å; M22-F46 HydrophobicContact CE-CZ 4.41Å; M22-F46 HydrophobicContact CG-CE2 4.41Å; M22-F46 HydrophobicContact SD-CE2 3.72Å; M22-F46 HydrophobicContact SD-CZ 3.69Å; R44-F46 HydrophobicContact CB-CE2 4.09Å; R44-F46 HydrophobicContact CB-CZ 4.15Å; F46-V52 HydrophobicContact CD1-CG1 4.45Å; F46-V52 HydrophobicContact CD1-CG2 3.51Å; F46-V52 HydrophobicContact CE1-CG1 4.28Å; F46-V52 HydrophobicContact CE1-CG2 3.63Å; F46-A88 HydrophobicContact CB-CB 4.3Å; F46-A88 HydrophobicContact CD1-CB 4.04Å; F46-A88 HydrophobicContact CG-CB 4.46Å
47S94.4Very high96.7Very high28 Ų2858.3 Ų58.320%0.19631%0.313CS..  trans-136.8145.3177.11770000110.5T49 Q50 R87 A88S47-T49 PolarHBondContact OG-N 2.86Å; S47-T49 PolarHBondContact OG-OG1 2.9Å; S47-Q50 PolarHBondContact OG-N 2.91Å; S47-R87 WeakPolarHBondContact O-CA 3.48Å; S47-A88 CarbonylContact C-O 3.59Å; S47-A88 WeakPolarHBondContact CA-O 3.4Å; S47-A88 PolarHBondContact N-O 2.86Å; S47-A88 PolarHBondContact O-N 2.93Å; S47-A88 VanDerWaalsContact O-O 3.06Å
48S94.4Very high96.6Very high56 Ų5656 Ų5639%0.39231%0.307SS..SBendtrans-76.3-15.7173.554.10000112.6A88 E89S48-A88 PolarHBondContact N-O 2.92Å; S48-E89 WeakPolarHBondContact CB-OE1 3.38Å
49T93.9Very high96.6Very high98 Ų9861.7 Ų61.760%0.60134%0.337SS*.SBendtrans-113.3-28-173.659.80000113.8S47S47-T49 PolarHBondContact OG-N 2.86Å; S47-T49 PolarHBondContact OG-OG1 2.9Å
50Q94.1Very high96.5Very high112 Ų11262.5 Ų62.552%0.52334%0.336SS..SBendtrans-121.8160.9-177.3-67.7176.8-2100110.4S47S47-Q50 PolarHBondContact OG-N 2.91Å
51G95.3Very high96.5Very high16 Ų1661 Ų6117%0.16533%0.332CS..PPolyproline II helixtrans-60.6167.1171.400000112.4E53 G84 I86G51-E53 PolarHBondContact O-N 2.73Å; G51-G84 WeakPolarHBondContact CA-O 3.35Å; G51-I86 WeakPolarHBondContact CA-O 3.12Å
52V96.8Very high96.5Very high12 Ų1261.3 Ų61.37%0.07333%0.334CS..PPolyproline II helixtrans-66.2124.9175-179.70000109.5R44 V45 F46 L83 I86R44-V52 HydrophobicContact CB-CG1 3.85Å; R44-V52 HydrophobicContact CG-CG1 4.21Å; V45-V52 WeakPolarHBondContact O-CA 3.36Å; F46-V52 HydrophobicContact CD1-CG1 4.45Å; F46-V52 HydrophobicContact CD1-CG2 3.51Å; F46-V52 HydrophobicContact CE1-CG1 4.28Å; F46-V52 HydrophobicContact CE1-CG2 3.63Å; V52-L83 HydrophobicContact CB-CB 4.19Å; V52-L83 HydrophobicContact CB-CD2 4.44Å; V52-L83 WeakPolarHBondContact CB-O 3.45Å; V52-L83 HydrophobicContact CG1-CD2 4.47Å; V52-L83 PolarHBondContact N-O 3.17Å; V52-I86 HydrophobicContact CG2-CB 3.99Å; V52-I86 HydrophobicContact CG2-CG2 3.83Å; V52-I86 PolarHBondContact N-O 2.88Å
53E95.9Very high96.5Very high104 Ų10467.2 Ų67.249%0.48636%0.355SS..EExtended strand (participates in β ladder)trans-93141.9173.9-63.1-172.9166.700110.6R44 V45 G51R44-E53 WeakPolarHBondContact CA-O 3.35Å; V45-E53 HydrophobicContact CB-CB 4.36Å; V45-E53 PolarHBondContact N-O 3.1Å; V45-E53 PolarHBondContact O-N 3.09Å; V45-E53 VanDerWaalsContact O-N 3.13Å; G51-E53 PolarHBondContact O-N 2.73Å
54Q96.1Very high96.4Very high103 Ų10366.3 Ų66.348%0.48135%0.354SS..EExtended strand (participates in β ladder)trans-109111.9175.1-69.7-177.9-45.400110.3H42 E43 L83H42-Q54 PolarHBondContact CD2-NE2 2.84Å; H42-Q54 PolarHBondContact NE2-NE2 3.45Å; E43-Q54 CarbonylContact O-C 3.46Å; E43-Q54 VanDerWaalsContact O-CA 3.3Å; E43-Q54 WeakPolarHBondContact O-CA 3.39Å; Q54-L83 HydrophobicContact CG-CD1 4.26Å; Q54-L83 VanDerWaalsContact NE2-CD1 3.3Å
55V97.4Very high96.3Very high65 Ų6570.7 Ų70.739%0.39438%0.378SS..EExtended strand (participates in β ladder)trans-100.4113.6177.8-176.30000109.1H42 E43 V45 L57H42-V55 CarbonylContact C-O 2.92Å; H42-V55 WeakPolarHBondContact CA-O 3.15Å; H42-V55 WeakPolarHBondContact CB-O 3.38Å; E43-V55 HydrophobicContact CB-CB 4.33Å; E43-V55 PolarHBondContact N-O 2.74Å; E43-V55 PolarHBondContact O-N 2.9Å; V45-V55 HydrophobicContact CG2-CG2 4.22Å; V55-L57 PolarHBondContact O-N 3.43Å
56V97.8Very high96.3Very high123 Ų12371.8 Ų71.875%0.74538%0.382SS*.EExtended strand (participates in β ladder)trans-69.6129.3-178.3-179.50000110.9
57L97.4Very high96.3Very high52 Ų5271.1 Ų71.127%0.27238%0.382SS..EExtended strand (participates in β ladder)trans-113.2-28.6178.1-57.8175.4000112.1I23 S41 E43 V55 Y60I23-L57 HydrophobicContact CD1-CD1 4.47Å; I23-L57 HydrophobicContact CG2-CD1 4.13Å; S41-L57 WeakPolarHBondContact O-CA 3.44Å; S41-L57 PolarHBondContact O-N 3.36Å; S41-L57 WeakPolarHBondContact OG-CB 3.45Å; E43-L57 HydrophobicContact CB-CD1 4.26Å; V55-L57 PolarHBondContact O-N 3.43Å; L57-Y60 HydrophobicContact CB-CD2 4.15Å; L57-Y60 HydrophobicContact CB-CG 4.39Å; L57-Y60 HydrophobicContact CD1-CD1 4.37Å; L57-Y60 HydrophobicContact CD1-CD2 4.08Å; L57-Y60 HydrophobicContact CD1-CE2 4.22Å; L57-Y60 HydrophobicContact CD1-CG 4.15Å
58G96.9Very high96.4Very high24 Ų2472.1 Ų72.125%0.24739%0.392CS..EExtended strand (participates in β ladder)trans76.2-128-17900000111.7E40 S41 Y60E40-G58 PolarHBondContact N-O 2.88Å; S41-G58 WeakPolarHBondContact CB-O 3.37Å; S41-G58 PolarHBondContact N-O 3.15Å; S41-G58 PolarHBondContact O-N 2.72Å; S41-G58 PolarHBondContact OG-O 2.99Å; G58-Y60 PolarHBondContact O-N 3.23Å
59L97.7Very high96.5Very high121 Ų12173.5 Ų73.563%0.63440%0.397SS*.EExtended strand (participates in β ladder)trans-76.2118.3171.9-174.873.4000109.5I37 L38 D39I37-L59 HydrophobicContact CG2-CD1 3.95Å; L38-L59 CarbonylContact O-C 3.48Å; L38-L59 WeakPolarHBondContact O-CA 3.32Å; D39-L59 HydrophobicContact CB-CD1 4.46Å
60Y97.6Very high96.6Very high68 Ų6870.4 Ų70.427%0.26738%0.377SS..EExtended strand (participates in β ladder)trans-133.9135.6-173.3-166.3-104000111.6I23 L38 S41 L57 G58 V62I23-Y60 HydrophobicContact CD1-CD1 4.02Å; I23-Y60 HydrophobicContact CD1-CE1 3.45Å; I23-Y60 VanDerWaalsContact CD1-CE1 3.45Å; L38-Y60 PolarHBondContact N-O 3.37Å; L38-Y60 PolarHBondContact O-N 3.38Å; S41-Y60 WeakPolarHBondContact OG-CB 3.4Å; L57-Y60 HydrophobicContact CB-CD2 4.15Å; L57-Y60 HydrophobicContact CB-CG 4.39Å; L57-Y60 HydrophobicContact CD1-CD1 4.37Å; L57-Y60 HydrophobicContact CD1-CD2 4.08Å; L57-Y60 HydrophobicContact CD1-CE2 4.22Å; L57-Y60 HydrophobicContact CD1-CG 4.15Å; G58-Y60 PolarHBondContact O-N 3.23Å; Y60-V62 HydrophobicContact CD1-CG2 3.77Å; Y60-V62 HydrophobicContact CE1-CG2 3.83Å
61I97.5Very high96.8Very high119 Ų11966.3 Ų66.361%0.6137%0.365SS*.EExtended strand (participates in β ladder)trans-109.1122.7178.2-56.6179.2000108.7L36L36-I61 CarbonylContact O-C 3.56Å; L36-I61 VanDerWaalsContact O-CA 3.31Å; L36-I61 WeakPolarHBondContact O-CA 3.36Å
62V97.4Very high96.8Very high7 Ų769.6 Ų69.64%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-101.5125.9174.2-1680000108.6T17 I23 N35 L36 L38 Y60 V67T17-V62 HydrophobicContact CG2-CG1 4.35Å; I23-V62 HydrophobicContact CD1-CG2 4.46Å; N35-V62 CarbonylContact C-O 3.59Å; N35-V62 WeakPolarHBondContact CA-O 3.16Å; L36-V62 HydrophobicContact CB-CB 4.24Å; L36-V62 PolarHBondContact N-O 3.39Å; L36-V62 PolarHBondContact O-N 2.8Å; L38-V62 HydrophobicContact CD1-CG2 3.96Å; Y60-V62 HydrophobicContact CD1-CG2 3.77Å; Y60-V62 HydrophobicContact CE1-CG2 3.83Å; V62-V67 HydrophobicContact CB-CG2 4.36Å; V62-V67 HydrophobicContact CG1-CG2 3.65Å
63R97.6Very high96.8Very high157 Ų15770.2 Ų70.259%0.59238%0.379SS*.  trans-73133.1172.7-176177.6167.1154.7-2.6109.8N35 D65 N66N35-R63 WeakPolarHBondContact OD1-CA 3.43Å; R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 IonicContact CZ-OD2 3.45Å; R63-D65 VanDerWaalsContact CZ-OD2 3.23Å; R63-D65 IonicContact NE-OD2 2.69Å; R63-D65 PolarHBondContact NE-OD2 3.19Å; R63-D65 IonicContact NH2-OD2 3.47Å; R63-D65 PolarHBondContact NH2-OD2 3.44Å; R63-D65 PolarHBondContact O-N 2.98Å; R63-N66 WeakPolarHBondContact O-CB 3.13Å; R63-N66 PolarHBondContact O-N 3.35Å
64G96.1Very high96.8Very high11 Ų1169.7 Ų69.711%0.11338%0.379CS..G310 helixtrans-60.1-32.9-172.700000114.9T33 I34 N35 N66 V67T33-G64 WeakPolarHBondContact O-CA 3.44Å; I34-G64 VanDerWaalsContact C-CA 3.48Å; I34-G64 WeakPolarHBondContact O-CA 3.48Å; N35-G64 PolarHBondContact OD1-N 2.84Å; G64-N66 PolarHBondContact O-N 2.94Å; G64-N66 VanDerWaalsContact O-N 3.12Å; G64-V67 WeakPolarHBondContact O-CB 3.23Å; G64-V67 PolarHBondContact O-N 2.7Å
65D95.5Very high96.6Very high110 Ų11070.4 Ų70.459%0.58838%0.382SS*.G310 helixtrans-59.3-24.8174.3-59-30.7000112.9R63R63-D65 VanDerWaalsContact C-N 3.29Å; R63-D65 IonicContact CZ-OD2 3.45Å; R63-D65 VanDerWaalsContact CZ-OD2 3.23Å; R63-D65 IonicContact NE-OD2 2.69Å; R63-D65 PolarHBondContact NE-OD2 3.19Å; R63-D65 IonicContact NH2-OD2 3.47Å; R63-D65 PolarHBondContact NH2-OD2 3.44Å; R63-D65 PolarHBondContact O-N 2.98Å
66N95.4Very high96.4Very high78 Ų7874.6 Ų74.642%0.41740%0.398SS..G310 helixtrans-95.8-1.2179.6-65.5-17.7000112.8T17 S18 R63 G64T17-N66 CarbonylContact C-O 3.59Å; T17-N66 WeakPolarHBondContact CA-O 3.49Å; S18-N66 PolarHBondContact N-O 3.4Å; S18-N66 WeakPolarHBondContact OG-CA 3.45Å; R63-N66 WeakPolarHBondContact O-CB 3.13Å; R63-N66 PolarHBondContact O-N 3.35Å; G64-N66 PolarHBondContact O-N 2.94Å; G64-N66 VanDerWaalsContact O-N 3.12Å
67V96.6Very high96.2Very high30 Ų3072.5 Ų72.518%0.18239%0.385CS..EExtended strand (participates in β ladder)trans-86.1121.8-179.7178.50000109.3I15 I34 L36 V62 G64 I70I15-V67 HydrophobicContact CG2-CG1 4.22Å; I15-V67 HydrophobicContact CG2-CG2 4.46Å; I34-V67 HydrophobicContact CG2-CB 4.36Å; I34-V67 HydrophobicContact CG2-CG1 4.19Å; I34-V67 HydrophobicContact CG2-CG2 4.47Å; L36-V67 HydrophobicContact CD1-CG1 4.39Å; L36-V67 HydrophobicContact CD1-CG2 3.95Å; L36-V67 HydrophobicContact CG-CG2 4.26Å; V62-V67 HydrophobicContact CB-CG2 4.36Å; V62-V67 HydrophobicContact CG1-CG2 3.65Å; G64-V67 WeakPolarHBondContact O-CB 3.23Å; G64-V67 PolarHBondContact O-N 2.7Å; V67-I70 HydrophobicContact CG1-CD1 4.02Å; V67-I70 HydrophobicContact CG1-CG1 3.74Å
68A96.3Very high96Very high48 Ų4871.7 Ų71.740%0.39738%0.381SS..EExtended strand (participates in β ladder)trans-98.8-47.5174.800000111.8V16 V94V16-A68 WeakPolarHBondContact O-CA 3.38Å; V16-A68 WeakPolarHBondContact O-CB 3.24Å; V16-A68 PolarHBondContact O-N 2.91Å; A68-V94 HydrophobicContact CB-CG2 4.22Å
69V96.4Very high95.7Very high85 Ų8575 Ų7552%0.51540%0.401SS..EExtended strand (participates in β ladder)trans-141.6144.7-177.5-177.30000110.4I15 V16I15-V69 WeakPolarHBondContact CA-O 3.4Å; V16-V69 HydrophobicContact CB-CB 4.09Å; V16-V69 HydrophobicContact CG2-CB 4.39Å; V16-V69 PolarHBondContact N-O 2.92Å; V16-V69 PolarHBondContact O-N 2.85Å; V16-V69 VanDerWaalsContact O-N 3.1Å
70I97.1Very high95.6Very high33 Ų3374.4 Ų74.417%0.16940%0.402CS..EExtended strand (participates in β ladder)trans-124.9122.4170.1-54.1170.4000107.1L5 Y8 V13 I15 I34 L36 V67L5-I70 HydrophobicContact CD1-CD1 3.81Å; L5-I70 HydrophobicContact CD2-CB 4.27Å; L5-I70 HydrophobicContact CD2-CD1 3.54Å; L5-I70 HydrophobicContact CD2-CG1 4.49Å; L5-I70 HydrophobicContact CD2-CG2 3.97Å; L5-I70 HydrophobicContact CG-CD1 4.32Å; Y8-I70 HydrophobicContact CD2-CG2 3.81Å; Y8-I70 HydrophobicContact CE2-CG2 4.08Å; V13-I70 HydrophobicContact CB-CG2 4.34Å; V13-I70 HydrophobicContact CG1-CG2 4.41Å; I15-I70 HydrophobicContact CD1-CB 4.13Å; I15-I70 HydrophobicContact CD1-CG1 3.95Å; I15-I70 HydrophobicContact CD1-CG2 3.69Å; I34-I70 HydrophobicContact CG2-CD1 3.82Å; L36-I70 HydrophobicContact CD1-CD1 3.9Å; L36-I70 HydrophobicContact CD1-CG1 4.17Å; L36-I70 HydrophobicContact CD2-CD1 4.06Å; V67-I70 HydrophobicContact CG1-CD1 4.02Å; V67-I70 HydrophobicContact CG1-CG1 3.74Å
71G96.9Very high95.3Very high26 Ų2675 Ų7527%0.26841%0.41SS..EExtended strand (participates in β ladder)trans-127133.6176.400000111.5V13 A14V13-G71 CarbonylContact C-O 3.49Å; V13-G71 VanDerWaalsContact CA-O 3.23Å; V13-G71 WeakPolarHBondContact CA-O 3.44Å; A14-G71 PolarHBondContact N-O 2.83Å; A14-G71 PolarHBondContact O-N 3.16Å
72E96.8Very high95.1Very high85 Ų8574 Ų7440%0.39741%0.406SS..EExtended strand (participates in β ladder)trans-67.9135.5170.1-174178.3162.900110.1Y8 R11Y8-E72 HydrophobicContact CD1-CB 4.17Å; Y8-E72 HydrophobicContact CE1-CB 3.8Å; Y8-E72 WeakPolarHBondContact CE1-OE2 3.18Å; R11-E72 VanDerWaalsContact CD-CD 3.44Å; R11-E72 WeakPolarHBondContact CD-OE1 3.41Å; R11-E72 IonicContact CZ-OE1 3.68Å; R11-E72 IonicContact CZ-OE2 3.75Å; R11-E72 IonicContact NE-OE1 2.89Å; R11-E72 IonicContact NH1-OE1 3.86Å; R11-E72 PolarHBondContact NH1-OE1 2.91Å; R11-E72 IonicContact NH1-OE2 3.32Å; R11-E72 PolarHBondContact NH1-OE2 2.82Å
73I96.4Very high94.8Very high26 Ų2674.9 Ų74.913%0.13341%0.41CS..  trans-101.7132.6174-69.4169.4000108.8T12 A14 V24 E75 D78T12-I73 HydrophobicContact CG2-CB 4.14Å; T12-I73 HydrophobicContact CG2-CD1 4.19Å; T12-I73 HydrophobicContact CG2-CG2 4.48Å; T12-I73 PolarHBondContact O-N 2.79Å; A14-I73 HydrophobicContact CB-CD1 3.67Å; A14-I73 HydrophobicContact CB-CG1 4.04Å; V24-I73 HydrophobicContact CB-CD1 4.33Å; V24-I73 HydrophobicContact CG1-CD1 3.61Å; V24-I73 HydrophobicContact CG2-CD1 3.8Å; I73-E75 PolarHBondContact O-N 3.05Å; I73-D78 HydrophobicContact CG2-CB 3.56Å
74D96Very high94.5Very high93 Ų9369.6 Ų69.650%0.49741%0.405SS..  trans-79.5109.4161.8174.521.1000109.5E76 T77 D78D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.36Å; D74-E76 PolarHBondContact OD1-N 2.62Å; D74-T77 PolarHBondContact O-N 3.25Å; D74-T77 WeakPolarHBondContact OD2-CB 3.4Å; D74-T77 PolarHBondContact OD2-OG1 3.14Å; D74-D78 WeakPolarHBondContact O-CB 3.42Å; D74-D78 PolarHBondContact O-N 2.93Å
75E91.8Very high94.3Very high117 Ų11774.7 Ų74.755%0.54743%0.429SS..Hα-helixtrans-62.9-33.3-174.8-66.9178.6-161.800112.9T12 I73 S79T12-E75 WeakPolarHBondContact CB-OE1 3.42Å; T12-E75 PolarHBondContact OG1-OE1 3.48Å; I73-E75 PolarHBondContact O-N 3.05Å; E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 3.3Å; E75-S79 PolarHBondContact O-OG 3.02Å
76E93.6Very high94.3Very high153 Ų15372.4 Ų72.472%0.71542%0.416SS*.Hα-helixtrans-65.1-51.8178.2-173.6176.6178.200109.5D74 D78 S79D74-E76 VanDerWaalsContact C-N 3.29Å; D74-E76 PolarHBondContact O-N 3.36Å; D74-E76 PolarHBondContact OD1-N 2.62Å; E76-D78 PolarHBondContact O-N 3.45Å; E76-S79 PolarHBondContact O-N 3.36Å; E76-S79 PolarHBondContact O-OG 3.49Å
77T93.1Very high94.3Very high80 Ų8076.6 Ų76.649%0.49143%0.426SS..Hα-helixtrans-59.7-46.2177.2-62.80000111.4D74 S79 T80D74-T77 PolarHBondContact O-N 3.25Å; D74-T77 WeakPolarHBondContact OD2-CB 3.4Å; D74-T77 PolarHBondContact OD2-OG1 3.14Å; T77-S79 VanDerWaalsContact C-N 3.32Å; T77-S79 PolarHBondContact O-N 2.65Å; T77-T80 PolarHBondContact O-N 3.01Å; T77-T80 VanDerWaalsContact O-N 3.16Å; T77-T80 PolarHBondContact O-OG1 3.03Å
78D92.9Very high94.2Very high34 Ų3476.9 Ų76.918%0.18243%0.432CS..Hα-helixtrans-64-35.9-177.8-169.775.7000112.6R44 I73 D74 E76 T80 L81R44-D78 IonicContact CZ-OD1 3.65Å; R44-D78 VanDerWaalsContact CZ-OD1 3.32Å; R44-D78 IonicContact CZ-OD2 3.4Å; R44-D78 IonicContact NH1-OD1 2.83Å; R44-D78 PolarHBondContact NH1-OD1 2.76Å; R44-D78 IonicContact NH1-OD2 3.23Å; R44-D78 IonicContact NH2-OD1 2.8Å; R44-D78 PolarHBondContact NH2-OD1 3Å; R44-D78 IonicContact NH2-OD2 3.65Å; R44-D78 PolarHBondContact NH2-OD2 3.12Å; I73-D78 HydrophobicContact CG2-CB 3.56Å; D74-D78 WeakPolarHBondContact O-CB 3.42Å; D74-D78 PolarHBondContact O-N 2.93Å; E76-D78 PolarHBondContact O-N 3.45Å; D78-T80 PolarHBondContact O-N 3.34Å; D78-L81 WeakPolarHBondContact O-CB 3.35Å; D78-L81 PolarHBondContact O-N 3Å; D78-L81 VanDerWaalsContact O-N 3.13Å
79S91.5Very high94.1Very high95 Ų9581.1 Ų81.166%0.66444%0.444SS*.Hα-helixtrans-64.6-20177.175.90000114.3E75 E76 T77E75-S79 WeakPolarHBondContact O-CB 3.41Å; E75-S79 PolarHBondContact O-N 3.3Å; E75-S79 PolarHBondContact O-OG 3.02Å; E76-S79 PolarHBondContact O-N 3.36Å; E76-S79 PolarHBondContact O-OG 3.49Å; T77-S79 VanDerWaalsContact C-N 3.32Å; T77-S79 PolarHBondContact O-N 2.65Å
80T94.7Very high94Very high108 Ų10880.8 Ų80.866%0.66344%0.443SS*.THydrogen-bonded Turntrans-85.4-9.3177.869.40000113.5T77 D78T77-T80 PolarHBondContact O-N 3.01Å; T77-T80 VanDerWaalsContact O-N 3.16Å; T77-T80 PolarHBondContact O-OG1 3.03Å; D78-T80 PolarHBondContact O-N 3.34Å
81L92.1Very high93.8Very high80 Ų8082.6 Ų82.642%0.41945%0.453SS..  trans-78.7128.9-176.7-62175.9000111.4D78 L83 I86D78-L81 WeakPolarHBondContact O-CB 3.35Å; D78-L81 PolarHBondContact O-N 3Å; D78-L81 VanDerWaalsContact O-N 3.13Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 PolarHBondContact O-N 3.33Å; L81-L83 VanDerWaalsContact O-N 3.09Å; L81-I86 HydrophobicContact CB-CD1 4.37Å
82D92.9Very high93.7Very high98 Ų9888.7 Ų88.752%0.52448%0.479SS..  trans-84.779.5170.9-173-2.2000110.7G84 N85 I86D82-G84 PolarHBondContact O-N 3.04Å; D82-G84 PolarHBondContact OD1-N 2.63Å; D82-N85 PolarHBondContact O-N 2.89Å; D82-N85 PolarHBondContact OD2-ND2 2.99Å; D82-I86 WeakPolarHBondContact O-CG1 3.34Å; D82-I86 PolarHBondContact O-N 3.14Å
83L91.3Very high93.6Very high25 Ų2588 Ų8813%0.13148%0.483CS..G310 helixtrans-54.4-34.3-179.7-67.4176.2000112.6V52 Q54 L81 N85 I86V52-L83 HydrophobicContact CB-CB 4.19Å; V52-L83 HydrophobicContact CB-CD2 4.44Å; V52-L83 WeakPolarHBondContact CB-O 3.45Å; V52-L83 HydrophobicContact CG1-CD2 4.47Å; V52-L83 PolarHBondContact N-O 3.17Å; Q54-L83 HydrophobicContact CG-CD1 4.26Å; Q54-L83 VanDerWaalsContact NE2-CD1 3.3Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 PolarHBondContact O-N 3.33Å; L81-L83 VanDerWaalsContact O-N 3.09Å; L83-N85 PolarHBondContact O-N 3.31Å; L83-I86 HydrophobicContact CD2-CD1 4.21Å; L83-I86 PolarHBondContact O-N 3.23Å
84G91.3Very high93.5Very high47 Ų4790.2 Ų90.249%0.48550%0.498SS..G310 helixtrans-66.9-17.918000000114.3G51 D82G51-G84 WeakPolarHBondContact CA-O 3.35Å; D82-G84 PolarHBondContact O-N 3.04Å; D82-G84 PolarHBondContact OD1-N 2.63Å
85N92.6Very high93.3Very high118 Ų11892.4 Ų92.463%0.63152%0.515SS*.G310 helixtrans-110-5.4177.8-76.8-40.6000113.8D82 L83D82-N85 PolarHBondContact O-N 2.89Å; D82-N85 PolarHBondContact OD2-ND2 2.99Å; L83-N85 PolarHBondContact O-N 3.31Å
86I94.6Very high92.7Very high61 Ų6197.7 Ų97.731%0.31354%0.539SS..  trans-77.5128.9174.4-70.2165.8000109.6G51 V52 L81 D82 L83G51-I86 WeakPolarHBondContact CA-O 3.12Å; V52-I86 HydrophobicContact CG2-CB 3.99Å; V52-I86 HydrophobicContact CG2-CG2 3.83Å; V52-I86 PolarHBondContact N-O 2.88Å; L81-I86 HydrophobicContact CB-CD1 4.37Å; D82-I86 WeakPolarHBondContact O-CG1 3.34Å; D82-I86 PolarHBondContact O-N 3.14Å; L83-I86 HydrophobicContact CD2-CD1 4.21Å; L83-I86 PolarHBondContact O-N 3.23Å
87R94.6Very high92.7Very high166 Ų16695 Ų9563%0.62653%0.53SS*.  trans-124.3131.4176.2-61.5-179.2-174.2176.20.9109.5S47S47-R87 WeakPolarHBondContact O-CA 3.48Å
88A94.6Very high92.6Very high37 Ų3795.7 Ų95.731%0.30653%0.532SS..  trans-151151.517900000110F46 S47 S48F46-A88 HydrophobicContact CB-CB 4.3Å; F46-A88 HydrophobicContact CD1-CB 4.04Å; F46-A88 HydrophobicContact CG-CB 4.46Å; S47-A88 CarbonylContact C-O 3.59Å; S47-A88 WeakPolarHBondContact CA-O 3.4Å; S47-A88 PolarHBondContact N-O 2.86Å; S47-A88 PolarHBondContact O-N 2.93Å; S47-A88 VanDerWaalsContact O-O 3.06Å; S48-A88 PolarHBondContact N-O 2.92Å
89E95.1Very high92.6Very high137 Ų13799.2 Ų99.264%0.6455%0.552SS**PPolyproline II helixtrans-62.8145.1170-66.8-60.8151.500110.2S48S48-E89 WeakPolarHBondContact CB-OE1 3.38Å
90P93.9Very high92.7Very high77 Ų7799.4 Ų99.450%0.555%0.545SS..PPolyproline II helixtrans-54147.1172.3-24.634000111.8
91L94.3Very high92.6Very high72 Ų7298.9 Ų98.938%0.37754%0.538SS..PPolyproline II helixtrans-69.7140.1177.7-58167.1000109.8V16 G20 M22V16-L91 HydrophobicContact CG1-CD1 4.23Å; G20-L91 WeakPolarHBondContact O-CB 3.15Å; M22-L91 HydrophobicContact CB-CD1 4.23Å
92N95Very high92.6Very high153 Ų153100.1 Ų100.182%0.81855%0.546SS*.PPolyproline II helixtrans-75.3149.9174.1-65.7-42.7000110.7
93S94.6Very high92.6Very high70 Ų70100.3 Ų100.349%0.4955%0.547SS..PPolyproline II helixtrans-71.4153.8168.7-43.70000111.1S18 D19S18-S93 CarbonylContact O-C 3.46Å; S18-S93 VanDerWaalsContact O-CA 3.24Å; S18-S93 WeakPolarHBondContact O-CA 3.35Å; S18-S93 WeakPolarHBondContact O-CB 3.2Å; D19-S93 PolarHBondContact O-OG 3.2Å; D19-S93 VanDerWaalsContact O-OG 3.05Å
94V93.4Very high92.7Very high74 Ų74106.1 Ų106.145%0.44858%0.579SS.*PPolyproline II helixtrans-69133.3174.3177.30000109.4S18 A68S18-V94 PolarHBondContact O-N 2.91Å; A68-V94 HydrophobicContact CB-CG2 4.22Å
95V91.7Very high92.8Very high139 Ų139111 Ų11184%0.84259%0.587SS**PPolyproline II helixtrans-102.4122.5174.4-175.40000108.3
96H79.1Confident92.8Very high228 Ų228110.4 Ų110.4100%1.05658%0.583SS**  trans-89.70179.2-66.3-69.9000112.7

Retrieved 96 of 96 residues in 740.6 ms (Link to these results)