A0A077Z1C3_TRITR Loading...

U6 snRNA-associated Sm-like protein LSm8

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 A0A077Z1C3, Species TRITR (Trichuris trichiura, Whipworm), Gene LSM8, Length 85 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
1M62.8Low71.4Confident61 Ų6141.2 Ų41.230%0.321%0.209SC..  0147.50-174.5144.756.100110.4N12 M61 E63 D66M1-N12 HydrophobicContact CG-CB 4.19Å; M1-N12 HydrophobicContact SD-CB 3.91Å; M1-M61 HydrophobicContact CB-CB 4.49Å; M1-M61 HydrophobicContact CB-CE 4.32Å; M1-M61 HydrophobicContact CE-CE 3.19Å; M1-M61 HydrophobicContact CG-CE 3.83Å; M1-M61 PolarHBondContact O-N 3.12Å; M1-M61 HydrophobicContact SD-CE 4Å; M1-E63 HydrophobicContact CB-CG 3.78Å; M1-E63 PolarHBondContact N-OE1 3.01Å; M1-D66 WeakPolarHBondContact CE-OD2 3.34Å
2I64.5Low73.3Confident35 Ų3538.1 Ų38.118%0.17919%0.193CC..EExtended strand (participates in β ladder)trans-116.2134.5174.3-56.3-167.6000109.5F4 N12 G13 L15 I58 G59I2-F4 HydrophobicContact CB-CD2 4.27Å; I2-F4 HydrophobicContact CB-CE1 4.38Å; I2-F4 HydrophobicContact CB-CE2 3.37Å; I2-F4 HydrophobicContact CB-CZ 3.45Å; I2-F4 VanDerWaalsContact CB-CZ 3.45Å; I2-F4 HydrophobicContact CD1-CZ 4.21Å; I2-F4 HydrophobicContact CG1-CZ 4.36Å; I2-F4 HydrophobicContact CG2-CD1 4.18Å; I2-F4 HydrophobicContact CG2-CD2 4.01Å; I2-F4 HydrophobicContact CG2-CE1 3.56Å; I2-F4 HydrophobicContact CG2-CE2 3.36Å; I2-F4 HydrophobicContact CG2-CG 4.39Å; I2-F4 HydrophobicContact CG2-CZ 3.11Å; I2-F4 WeakPolarHBondContact O-CD2 3.34Å; I2-F4 WeakPolarHBondContact O-CE2 3.18Å; I2-N12 WeakPolarHBondContact O-CA 3.33Å; I2-G13 PolarHBondContact N-O 3.15Å; I2-G13 PolarHBondContact O-N 2.84Å; I2-G13 VanDerWaalsContact O-N 3.1Å; I2-L15 HydrophobicContact CD1-CB 3.45Å; I2-L15 VanDerWaalsContact CD1-CB 3.45Å; I2-L15 HydrophobicContact CD1-CD2 3.49Å; I2-L15 VanDerWaalsContact CD1-CD2 3.49Å; I2-L15 HydrophobicContact CD1-CG 4.09Å; I2-L15 HydrophobicContact CG1-CB 4.1Å; I2-I58 HydrophobicContact CG2-CG2 3.32Å; I2-G59 CarbonylContact C-O 3.57Å; I2-G59 WeakPolarHBondContact CA-O 3.24Å; I2-G59 VanDerWaalsContact CG2-O 3.29Å; I2-G59 WeakPolarHBondContact CG2-O 3.4Å
3L62.7Low75Confident41 Ų4135.2 Ų35.222%0.21518%0.179CC..EExtended strand (participates in β ladder)trans-88.1123.5169.8-170.664.6000109.4M10 G59 M61L3-M10 HydrophobicContact CD1-CE 4.47Å; L3-M10 HydrophobicContact CD1-CG 3.38Å; L3-M10 HydrophobicContact CD1-SD 3.62Å; L3-M10 HydrophobicContact CD2-CE 4.06Å; L3-M10 HydrophobicContact CD2-SD 4.15Å; L3-M10 HydrophobicContact CG-CG 4.19Å; L3-M10 HydrophobicContact CG-SD 4.33Å; L3-G59 PolarHBondContact N-O 2.79Å; L3-G59 PolarHBondContact O-N 3Å; L3-M61 HydrophobicContact CB-SD 4.2Å; L3-M61 HydrophobicContact CD1-SD 4.19Å
4F64Low76.5Confident1 Ų135.4 Ų35.40%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-115132.9175.7-59.8-84.8000108.6I2 P6 M10 V11 L15 L24 L26 I50 I58I2-F4 HydrophobicContact CB-CD2 4.27Å; I2-F4 HydrophobicContact CB-CE1 4.38Å; I2-F4 HydrophobicContact CB-CE2 3.37Å; I2-F4 HydrophobicContact CB-CZ 3.45Å; I2-F4 VanDerWaalsContact CB-CZ 3.45Å; I2-F4 HydrophobicContact CD1-CZ 4.21Å; I2-F4 HydrophobicContact CG1-CZ 4.36Å; I2-F4 HydrophobicContact CG2-CD1 4.18Å; I2-F4 HydrophobicContact CG2-CD2 4.01Å; I2-F4 HydrophobicContact CG2-CE1 3.56Å; I2-F4 HydrophobicContact CG2-CE2 3.36Å; I2-F4 HydrophobicContact CG2-CG 4.39Å; I2-F4 HydrophobicContact CG2-CZ 3.11Å; I2-F4 WeakPolarHBondContact O-CD2 3.34Å; I2-F4 WeakPolarHBondContact O-CE2 3.18Å; F4-P6 WeakPolarHBondContact O-CD 3.4Å; F4-M10 WeakPolarHBondContact O-CA 3.29Å; F4-V11 WeakPolarHBondContact CA-O 3.47Å; F4-V11 HydrophobicContact CB-CB 4.49Å; F4-V11 WeakPolarHBondContact CB-O 3.31Å; F4-V11 PolarHBondContact N-O 2.85Å; F4-V11 PolarHBondContact O-N 3.47Å; F4-L15 HydrophobicContact CZ-CB 4.14Å; F4-L15 HydrophobicContact CZ-CD1 4.05Å; F4-L15 HydrophobicContact CZ-CG 4.48Å; F4-L24 HydrophobicContact CD1-CD1 3.27Å; F4-L24 HydrophobicContact CE1-CD1 3.26Å; F4-L24 HydrophobicContact CE1-CD2 4.29Å; F4-L24 HydrophobicContact CE1-CG 4.3Å; F4-L24 HydrophobicContact CG-CD1 4.22Å; F4-L24 HydrophobicContact CZ-CD1 4.2Å; F4-L26 HydrophobicContact CD2-CD1 3.45Å; F4-L26 VanDerWaalsContact CD2-CD1 3.45Å; F4-L26 HydrophobicContact CD2-CD2 3.92Å; F4-L26 HydrophobicContact CD2-CG 4.34Å; F4-L26 HydrophobicContact CE1-CD2 4.26Å; F4-L26 HydrophobicContact CE2-CD1 3.62Å; F4-L26 HydrophobicContact CE2-CD2 3.17Å; F4-L26 HydrophobicContact CE2-CG 4.03Å; F4-L26 HydrophobicContact CG-CD1 4.13Å; F4-L26 HydrophobicContact CZ-CD1 4.42Å; F4-L26 HydrophobicContact CZ-CD2 3.37Å; F4-I50 HydrophobicContact CB-CD1 4.41Å; F4-I58 HydrophobicContact CD1-CB 4.25Å; F4-I58 HydrophobicContact CD1-CD1 4.32Å; F4-I58 HydrophobicContact CD1-CG1 3.79Å; F4-I58 HydrophobicContact CD1-CG2 3.93Å; F4-I58 HydrophobicContact CE1-CB 4.15Å; F4-I58 HydrophobicContact CE1-CD1 3.98Å; F4-I58 HydrophobicContact CE1-CG1 3.83Å; F4-I58 HydrophobicContact CE1-CG2 3.42Å; F4-I58 VanDerWaalsContact CE1-CG2 3.42Å; F4-I58 HydrophobicContact CZ-CG2 4.15Å
5V62.9Low77.7Confident27 Ų2736.6 Ų36.616%0.16419%0.187CC..EExtended strand (participates in β ladder)trans-109.587.6169.3-176.10000107.3R9 M10 A56 I57 L79V5-R9 CarbonylContact C-O 3.58Å; V5-R9 WeakPolarHBondContact CA-O 3.07Å; V5-M10 HydrophobicContact CG2-CE 4.28Å; V5-A56 VanDerWaalsContact O-CB 3.31Å; V5-A56 WeakPolarHBondContact O-CB 3.41Å; V5-A56 PolarHBondContact O-N 2.84Å; V5-A56 VanDerWaalsContact O-N 3.15Å; V5-I57 HydrophobicContact CB-CB 4.49Å; V5-I57 PolarHBondContact N-O 2.83Å; V5-L79 HydrophobicContact CG1-CD1 3.89Å
6P62.1Low79Confident19 Ų1942.3 Ų42.312%0.12321%0.21CC..EExtended strand (participates in β ladder)trans-53.2151.2157.3-6.66.5000109.1F4 V8 R9 V11 I50 N54F4-P6 WeakPolarHBondContact O-CD 3.4Å; P6-V8 PolarHBondContact O-N 3.26Å; P6-R9 HydrophobicContact CB-CB 4.34Å; P6-R9 WeakPolarHBondContact CD-O 3.39Å; P6-R9 HydrophobicContact CG-CB 4.04Å; P6-R9 PolarHBondContact O-N 3.41Å; P6-V11 HydrophobicContact CG-CG2 3.88Å; P6-I50 HydrophobicContact CG-CD1 4.49Å; P6-N54 VanDerWaalsContact CA-O 3.24Å; P6-N54 WeakPolarHBondContact CA-O 3.42Å
7V61.8Low80Confident31 Ų3141.2 Ų41.219%0.18821%0.213CC..THydrogen-bonded Turntrans-38.6-31.4-172.8177.50000115.3N54 P81 I82V7-N54 PolarHBondContact N-O 2.83Å; V7-P81 HydrophobicContact CG1-CB 4.33Å; V7-P81 WeakPolarHBondContact O-CA 3.38Å; V7-I82 HydrophobicContact CG1-CB 4.1Å; V7-I82 VanDerWaalsContact CG1-N 3.34Å; V7-I82 VanDerWaalsContact CG1-O 3.28Å; V7-I82 WeakPolarHBondContact CG1-O 3.3Å; V7-I82 PolarHBondContact O-N 2.68Å
8V71.7Confident80.9Confident85 Ų8547.3 Ų47.352%0.51524%0.238SC..THydrogen-bonded Turntrans-127.1-0.4-175.5-124.30000114.8P6 P81P6-V8 PolarHBondContact O-N 3.26Å; V8-P81 HydrophobicContact CG1-CB 4.02Å
9R86.2Confident81.8Confident127 Ų12747.5 Ų47.548%0.47924%0.24SC..  trans-139.3157.6-166.1-65.2176.3178.1-122.83.6110.7V5 P6 E31V5-R9 CarbonylContact C-O 3.58Å; V5-R9 WeakPolarHBondContact CA-O 3.07Å; P6-R9 HydrophobicContact CB-CB 4.34Å; P6-R9 WeakPolarHBondContact CD-O 3.39Å; P6-R9 HydrophobicContact CG-CB 4.04Å; P6-R9 PolarHBondContact O-N 3.41Å; R9-E31 WeakPolarHBondContact CD-OE1 3.14Å; R9-E31 WeakPolarHBondContact CG-OE1 3.43Å; R9-E31 IonicContact CZ-OE1 2.73Å; R9-E31 IonicContact CZ-OE2 2.61Å; R9-E31 IonicContact NE-OE1 3.4Å; R9-E31 PolarHBondContact NE-OE1 2.75Å; R9-E31 IonicContact NH1-OE1 3.02Å; R9-E31 PolarHBondContact NH1-OE1 2.8Å; R9-E31 IonicContact NH1-OE2 3.29Å; R9-E31 PolarHBondContact NH1-OE2 2.93Å
10M92Very high82.6Confident24 Ų2453.9 Ų53.912%0.11827%0.269CS..EExtended strand (participates in β ladder)trans-114.7118.1169.9-173.8173.8-7800108.6L3 F4 V5 E31 R32 Y34 L79L3-M10 HydrophobicContact CD1-CE 4.47Å; L3-M10 HydrophobicContact CD1-CG 3.38Å; L3-M10 HydrophobicContact CD1-SD 3.62Å; L3-M10 HydrophobicContact CD2-CE 4.06Å; L3-M10 HydrophobicContact CD2-SD 4.15Å; L3-M10 HydrophobicContact CG-CG 4.19Å; L3-M10 HydrophobicContact CG-SD 4.33Å; F4-M10 WeakPolarHBondContact O-CA 3.29Å; V5-M10 HydrophobicContact CG2-CE 4.28Å; M10-E31 CarbonylContact O-C 3.6Å; M10-E31 WeakPolarHBondContact O-CA 3.11Å; M10-R32 PolarHBondContact O-N 2.68Å; M10-Y34 HydrophobicContact CB-CE2 4.03Å; M10-Y34 HydrophobicContact CE-CE2 4.19Å; M10-Y34 HydrophobicContact CG-CE2 4.31Å; M10-Y34 HydrophobicContact SD-CE2 3.45Å; M10-Y34 WeakPolarHBondContact SD-CE2 3.25Å; M10-Y34 PolarHBondContact SD-OH 3.4Å; M10-L79 HydrophobicContact CB-CD1 3.98Å; M10-L79 HydrophobicContact CE-CD1 4.19Å
11V94.7Very high83.2Confident2 Ų254.7 Ų54.71%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-120.6125.4-179.4-179.40000108.7F4 P6 L26 A29 C30 E31 L45F4-V11 WeakPolarHBondContact CA-O 3.47Å; F4-V11 HydrophobicContact CB-CB 4.49Å; F4-V11 WeakPolarHBondContact CB-O 3.31Å; F4-V11 PolarHBondContact N-O 2.85Å; F4-V11 PolarHBondContact O-N 3.47Å; P6-V11 HydrophobicContact CG-CG2 3.88Å; V11-L26 HydrophobicContact CG1-CD1 3.96Å; V11-A29 HydrophobicContact CG1-CB 4.15Å; V11-C30 CarbonylContact C-O 3.52Å; V11-C30 VanDerWaalsContact CA-O 3.31Å; V11-C30 WeakPolarHBondContact CA-O 3.13Å; V11-E31 HydrophobicContact CG2-CB 4.37Å; V11-L45 HydrophobicContact CG1-CD1 4.18Å; V11-L45 HydrophobicContact CG2-CD1 4.39Å
12N94.6Very high84.7Confident4 Ų455.2 Ų55.22%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-102.6146.9170.4-5.253000108.8M1 I2 A29 C30 R32 M61M1-N12 HydrophobicContact CG-CB 4.19Å; M1-N12 HydrophobicContact SD-CB 3.91Å; I2-N12 WeakPolarHBondContact O-CA 3.33Å; N12-A29 CarbonylContact O-C 3.58Å; N12-A29 VanDerWaalsContact O-CA 3.24Å; N12-A29 WeakPolarHBondContact O-CA 3.29Å; N12-C30 PolarHBondContact N-O 2.81Å; N12-C30 PolarHBondContact O-N 2.88Å; N12-C30 PolarHBondContact OD1-O 3.45Å; N12-R32 WeakPolarHBondContact ND2-CD 3.44Å; N12-R32 PolarHBondContact ND2-NE 3.04Å; N12-R32 VanDerWaalsContact ND2-NE 3.14Å; N12-R32 PolarHBondContact ND2-NH1 3.4Å; N12-M61 HydrophobicContact CB-CE 4.38Å
13G95.1Very high86.1Confident1 Ų155.6 Ų55.61%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-179.6-179.7171.600000112.5I2I2-G13 PolarHBondContact N-O 3.15Å; I2-G13 PolarHBondContact O-N 2.84Å; I2-G13 VanDerWaalsContact O-N 3.1Å
14N95.4Very high87.7Confident37 Ų3753.8 Ų53.820%0.19827%0.273CS..EExtended strand (participates in β ladder)trans-88.8111.5175-64.8-35.9000109.1K16 L26 D27 E28N14-K16 PolarHBondContact O-N 2.84Å; N14-L26 WeakPolarHBondContact O-CA 3.42Å; N14-D27 HydrophobicContact CB-CB 4.33Å; N14-D27 PolarHBondContact N-O 3.13Å; N14-D27 PolarHBondContact O-N 2.85Å; N14-E28 PolarHBondContact ND2-OE2 2.96Å
15L95.5Very high89.2Confident54 Ų5456.2 Ų56.228%0.28329%0.288SS..EExtended strand (participates in β ladder)trans-66.3116.3173.8-177.964.6000109.9I2 F4 G17 F18 L24 L26I2-L15 HydrophobicContact CD1-CB 3.45Å; I2-L15 VanDerWaalsContact CD1-CB 3.45Å; I2-L15 HydrophobicContact CD1-CD2 3.49Å; I2-L15 VanDerWaalsContact CD1-CD2 3.49Å; I2-L15 HydrophobicContact CD1-CG 4.09Å; I2-L15 HydrophobicContact CG1-CB 4.1Å; F4-L15 HydrophobicContact CZ-CB 4.14Å; F4-L15 HydrophobicContact CZ-CD1 4.05Å; F4-L15 HydrophobicContact CZ-CG 4.48Å; L15-G17 VanDerWaalsContact CD1-O 3.31Å; L15-G17 WeakPolarHBondContact CD1-O 3.24Å; L15-F18 HydrophobicContact CD2-CD1 4.18Å; L15-L24 HydrophobicContact CD1-CB 4.25Å; L15-L24 HydrophobicContact CD1-CD2 3.95Å; L15-L26 HydrophobicContact CB-CD2 4.25Å; L15-L26 HydrophobicContact CD1-CD2 3.78Å
16K97.2Very high90.8Very high127 Ų12755 Ų5555%0.55228%0.28SS*.EExtended strand (participates in β ladder)trans-99.6-25.2178.3-62.2-59.9-178.7168.80112.9N14 V25 D27N14-K16 PolarHBondContact O-N 2.84Å; K16-V25 HydrophobicContact CB-CG1 4.41Å; K16-V25 PolarHBondContact N-O 2.76Å; K16-D27 HydrophobicContact CD-CB 4.09Å; K16-D27 WeakPolarHBondContact CE-OD2 3.31Å; K16-D27 HydrophobicContact CG-CB 3.61Å; K16-D27 IonicContact NZ-OD2 3.28Å; K16-D27 PolarHBondContact NZ-OD2 3.44Å
17G96.6Very high92.5Very high25 Ų2556.5 Ų56.526%0.25829%0.287SS..EExtended strand (participates in β ladder)trans-171.1157.3179.200000112.4L15 V25L15-G17 VanDerWaalsContact CD1-O 3.31Å; L15-G17 WeakPolarHBondContact CD1-O 3.24Å; G17-V25 PolarHBondContact N-O 3.06Å; G17-V25 PolarHBondContact O-N 3.27Å
18F96.8Very high94.1Very high150 Ų15060.9 Ų60.966%0.65831%0.305SS*.EExtended strand (participates in β ladder)trans-146.3163.2173.564.7-84.2000110.3L15 N23 L24L15-F18 HydrophobicContact CD2-CD1 4.18Å; F18-N23 WeakPolarHBondContact CA-O 3.44Å; F18-L24 HydrophobicContact CB-CD2 3.87Å
19D97.6Very high95.3Very high52 Ų5256.8 Ų56.828%0.27828%0.281SS..  trans-120.8179.4172.470.823.8000112.4T21 I22 N23D19-T21 PolarHBondContact O-N 2.96Å; D19-T21 VanDerWaalsContact O-N 3.15Å; D19-T21 WeakPolarHBondContact OD1-CA 3.43Å; D19-T21 PolarHBondContact OD1-N 2.94Å; D19-T21 PolarHBondContact OD1-OG1 2.75Å; D19-T21 PolarHBondContact OD2-OG1 3.47Å; D19-I22 PolarHBondContact O-N 3.24Å; D19-I22 PolarHBondContact OD1-N 2.91Å; D19-I22 VanDerWaalsContact OD1-N 3.13Å; D19-N23 PolarHBondContact N-O 2.94Å; D19-N23 PolarHBondContact OD1-N 3.02Å; D19-N23 PolarHBondContact OD1-ND2 3.15Å; D19-N23 WeakPolarHBondContact OD2-CB 3.42Å; D19-N23 PolarHBondContact OD2-ND2 3.22Å
20Q97.3Very high95.7Very high175 Ų17551.3 Ų51.382%0.81826%0.262SS*.THydrogen-bonded Turntrans-67.1-11-178.471.6-81.77.500114.6
21T96Very high95.8Very high71 Ų7151 Ų5144%0.43626%0.26SS..THydrogen-bonded Turntrans-101.46.5174.461.90000112.2D19 N23 G52D19-T21 PolarHBondContact O-N 2.96Å; D19-T21 VanDerWaalsContact O-N 3.15Å; D19-T21 WeakPolarHBondContact OD1-CA 3.43Å; D19-T21 PolarHBondContact OD1-N 2.94Å; D19-T21 PolarHBondContact OD1-OG1 2.75Å; D19-T21 PolarHBondContact OD2-OG1 3.47Å; T21-N23 PolarHBondContact O-N 2.88Å; T21-N23 PolarHBondContact OG1-ND2 2.76Å; T21-G52 WeakPolarHBondContact O-CA 3.28Å
22I94.1Very high95.8Very high72 Ų7251.5 Ų51.537%0.36926%0.262SS..  trans66.125.4-179.6-44.5-58.4000112D19 L24 G52 V55 I58D19-I22 PolarHBondContact O-N 3.24Å; D19-I22 PolarHBondContact OD1-N 2.91Å; D19-I22 VanDerWaalsContact OD1-N 3.13Å; I22-L24 HydrophobicContact CG2-CD2 4.17Å; I22-L24 WeakPolarHBondContact O-CG 3.32Å; I22-L24 PolarHBondContact O-N 2.83Å; I22-G52 WeakPolarHBondContact O-CA 3.04Å; I22-V55 HydrophobicContact CG2-CB 4.21Å; I22-V55 HydrophobicContact CG2-CG1 4.07Å; I22-V55 HydrophobicContact CG2-CG2 4.39Å; I22-I58 HydrophobicContact CG2-CD1 3.79Å
23N94.6Very high95.8Very high43 Ų4354 Ų5423%0.2328%0.277CS..  trans-65.2136.7161.3-59.4-51.7000108.3F18 D19 T21 I50 R51 G52F18-N23 WeakPolarHBondContact CA-O 3.44Å; D19-N23 PolarHBondContact N-O 2.94Å; D19-N23 PolarHBondContact OD1-N 3.02Å; D19-N23 PolarHBondContact OD1-ND2 3.15Å; D19-N23 WeakPolarHBondContact OD2-CB 3.42Å; D19-N23 PolarHBondContact OD2-ND2 3.22Å; T21-N23 PolarHBondContact O-N 2.88Å; T21-N23 PolarHBondContact OG1-ND2 2.76Å; N23-I50 CarbonylContact C-O 3.53Å; N23-I50 WeakPolarHBondContact CA-O 3.41Å; N23-R51 VanDerWaalsContact OD1-CA 3.3Å; N23-R51 WeakPolarHBondContact OD1-CA 3.41Å; N23-G52 PolarHBondContact OD1-N 3.43Å
24L95.2Very high95.7Very high2 Ų256.1 Ų56.11%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-120.2139.4-172.8-53.7171.6000110.5F4 L15 F18 I22 L26 I49 I50 V55 I58F4-L24 HydrophobicContact CD1-CD1 3.27Å; F4-L24 HydrophobicContact CE1-CD1 3.26Å; F4-L24 HydrophobicContact CE1-CD2 4.29Å; F4-L24 HydrophobicContact CE1-CG 4.3Å; F4-L24 HydrophobicContact CG-CD1 4.22Å; F4-L24 HydrophobicContact CZ-CD1 4.2Å; L15-L24 HydrophobicContact CD1-CB 4.25Å; L15-L24 HydrophobicContact CD1-CD2 3.95Å; F18-L24 HydrophobicContact CB-CD2 3.87Å; I22-L24 HydrophobicContact CG2-CD2 4.17Å; I22-L24 WeakPolarHBondContact O-CG 3.32Å; I22-L24 PolarHBondContact O-N 2.83Å; L24-L26 HydrophobicContact CB-CD2 4.37Å; L24-I49 CarbonylContact O-C 3.58Å; L24-I49 VanDerWaalsContact O-CA 3.29Å; L24-I49 WeakPolarHBondContact O-CA 3.4Å; L24-I50 HydrophobicContact CB-CB 4.3Å; L24-I50 HydrophobicContact CD1-CB 4.48Å; L24-I50 HydrophobicContact CD1-CD1 4.5Å; L24-I50 PolarHBondContact N-O 3.4Å; L24-I50 PolarHBondContact O-N 2.84Å; L24-V55 HydrophobicContact CD1-CG1 4.25Å; L24-V55 HydrophobicContact CD1-CG2 3.67Å; L24-V55 HydrophobicContact CG-CG2 4.23Å; L24-I58 HydrophobicContact CD1-CD1 4.12Å; L24-I58 HydrophobicContact CD2-CD1 3.94Å
25V96.5Very high95.6Very high53 Ų5355.9 Ų55.932%0.32129%0.286SS..EExtended strand (participates in β ladder)trans-110.2116166.4-175.40000108.1K16 G17 L47 I49K16-V25 HydrophobicContact CB-CG1 4.41Å; K16-V25 PolarHBondContact N-O 2.76Å; G17-V25 PolarHBondContact N-O 3.06Å; G17-V25 PolarHBondContact O-N 3.27Å; V25-L47 HydrophobicContact CG1-CD1 3.95Å; V25-I49 HydrophobicContact CG2-CG1 4.42Å
26L96.2Very high95.6Very high0 Ų059.2 Ų59.20%030%0.298CS..EExtended strand (participates in β ladder)trans-110.3137.7178.2-53.6-174000110F4 V11 N14 L15 L24 A29 L47 Y48 I50F4-L26 HydrophobicContact CD2-CD1 3.45Å; F4-L26 VanDerWaalsContact CD2-CD1 3.45Å; F4-L26 HydrophobicContact CD2-CD2 3.92Å; F4-L26 HydrophobicContact CD2-CG 4.34Å; F4-L26 HydrophobicContact CE1-CD2 4.26Å; F4-L26 HydrophobicContact CE2-CD1 3.62Å; F4-L26 HydrophobicContact CE2-CD2 3.17Å; F4-L26 HydrophobicContact CE2-CG 4.03Å; F4-L26 HydrophobicContact CG-CD1 4.13Å; F4-L26 HydrophobicContact CZ-CD1 4.42Å; F4-L26 HydrophobicContact CZ-CD2 3.37Å; V11-L26 HydrophobicContact CG1-CD1 3.96Å; N14-L26 WeakPolarHBondContact O-CA 3.42Å; L15-L26 HydrophobicContact CB-CD2 4.25Å; L15-L26 HydrophobicContact CD1-CD2 3.78Å; L24-L26 HydrophobicContact CB-CD2 4.37Å; L26-A29 HydrophobicContact CB-CB 4.02Å; L26-L47 CarbonylContact O-C 3.6Å; L26-L47 WeakPolarHBondContact O-CA 3.45Å; L26-Y48 PolarHBondContact N-O 2.79Å; L26-Y48 PolarHBondContact O-N 3.28Å; L26-I50 HydrophobicContact CD1-CD1 3.69Å; L26-I50 HydrophobicContact CD1-CG1 4.47Å; L26-I50 HydrophobicContact CG-CD1 4.49Å
27D97.1Very high95.6Very high51 Ų5159.5 Ų59.527%0.27331%0.306SS..EExtended strand (participates in β ladder)trans-108.3156.8168.3-174.124.6000109.6N14 K16 A29N14-D27 HydrophobicContact CB-CB 4.33Å; N14-D27 PolarHBondContact N-O 3.13Å; N14-D27 PolarHBondContact O-N 2.85Å; K16-D27 HydrophobicContact CD-CB 4.09Å; K16-D27 WeakPolarHBondContact CE-OD2 3.31Å; K16-D27 HydrophobicContact CG-CB 3.61Å; K16-D27 IonicContact NZ-OD2 3.28Å; K16-D27 PolarHBondContact NZ-OD2 3.44Å; D27-A29 PolarHBondContact O-N 3.1Å; D27-A29 VanDerWaalsContact O-N 3.07Å
28E96.5Very high95.6Very high123 Ų12364.7 Ų64.758%0.57532%0.324SS*.EExtended strand (participates in β ladder)trans50.231-175.2-59.9176.917700113.1N14 C30 G46N14-E28 PolarHBondContact ND2-OE2 2.96Å; E28-C30 PolarHBondContact O-N 3.18Å; E28-G46 PolarHBondContact N-O 2.94Å
29A95.5Very high95.6Very high0 Ų058.5 Ų58.50%030%0.302CS..EExtended strand (participates in β ladder)trans-64.8136.9-17500000111V11 N12 L26 D27 Q44 L45 G46 Y48V11-A29 HydrophobicContact CG1-CB 4.15Å; N12-A29 CarbonylContact O-C 3.58Å; N12-A29 VanDerWaalsContact O-CA 3.24Å; N12-A29 WeakPolarHBondContact O-CA 3.29Å; L26-A29 HydrophobicContact CB-CB 4.02Å; D27-A29 PolarHBondContact O-N 3.1Å; D27-A29 VanDerWaalsContact O-N 3.07Å; A29-Q44 PolarHBondContact O-NE2 2.94Å; A29-Q44 VanDerWaalsContact O-NE2 3.12Å; A29-L45 HydrophobicContact CB-CB 4.03Å; A29-L45 HydrophobicContact CB-CD1 4.46Å; A29-L45 WeakPolarHBondContact O-CA 3.49Å; A29-L45 WeakPolarHBondContact O-CB 3.35Å; A29-L45 PolarHBondContact O-N 2.89Å; A29-G46 VanDerWaalsContact CB-O 3.25Å; A29-G46 WeakPolarHBondContact CB-O 3.43Å; A29-G46 PolarHBondContact N-O 2.72Å; A29-G46 PolarHBondContact O-N 2.84Å; A29-Y48 HydrophobicContact CB-CG 4.49Å
30C95.3Very high95.5Very high11 Ų1156.7 Ų56.77%0.07429%0.292CS..EExtended strand (participates in β ladder)trans-133.6135.1176.5-1740000108.4V11 N12 E28 V43V11-C30 CarbonylContact C-O 3.52Å; V11-C30 VanDerWaalsContact CA-O 3.31Å; V11-C30 WeakPolarHBondContact CA-O 3.13Å; N12-C30 PolarHBondContact N-O 2.81Å; N12-C30 PolarHBondContact O-N 2.88Å; N12-C30 PolarHBondContact OD1-O 3.45Å; E28-C30 PolarHBondContact O-N 3.18Å; C30-V43 CarbonylContact C-O 3.58Å; C30-V43 WeakPolarHBondContact CA-O 3.34Å
31E95.1Very high95.4Very high17 Ų1754.1 Ų54.18%0.07928%0.28CS..EExtended strand (participates in β ladder)trans-94.1132.3171.1174.8177.4-162.100110R9 M10 V11 V33 Q42 V43 L45R9-E31 WeakPolarHBondContact CD-OE1 3.14Å; R9-E31 WeakPolarHBondContact CG-OE1 3.43Å; R9-E31 IonicContact CZ-OE1 2.73Å; R9-E31 IonicContact CZ-OE2 2.61Å; R9-E31 IonicContact NE-OE1 3.4Å; R9-E31 PolarHBondContact NE-OE1 2.75Å; R9-E31 IonicContact NH1-OE1 3.02Å; R9-E31 PolarHBondContact NH1-OE1 2.8Å; R9-E31 IonicContact NH1-OE2 3.29Å; R9-E31 PolarHBondContact NH1-OE2 2.93Å; M10-E31 CarbonylContact O-C 3.6Å; M10-E31 WeakPolarHBondContact O-CA 3.11Å; V11-E31 HydrophobicContact CG2-CB 4.37Å; E31-V33 HydrophobicContact CG-CG2 4.04Å; E31-Q42 CarbonylContact O-C 2.94Å; E31-Q42 WeakPolarHBondContact O-CA 3.36Å; E31-V43 HydrophobicContact CB-CB 4.24Å; E31-V43 PolarHBondContact N-O 2.82Å; E31-V43 PolarHBondContact O-N 2.87Å; E31-L45 HydrophobicContact CB-CD1 4.17Å
32R94.1Very high95.4Very high14 Ų1456 Ų565%0.05328%0.284CS..EExtended strand (participates in β ladder)trans-99.6115.8170-73.9-175.7-179.9165.61.1109.9M10 N12 Y34 I40 E41 Q42 D66M10-R32 PolarHBondContact O-N 2.68Å; N12-R32 WeakPolarHBondContact ND2-CD 3.44Å; N12-R32 PolarHBondContact ND2-NE 3.04Å; N12-R32 VanDerWaalsContact ND2-NE 3.14Å; N12-R32 PolarHBondContact ND2-NH1 3.4Å; R32-Y34 HydrophobicContact CB-CD2 4.49Å; R32-Y34 HydrophobicContact CB-CE2 3.77Å; R32-I40 HydrophobicContact CB-CG2 3.71Å; R32-I40 HydrophobicContact CG-CG2 3.88Å; R32-E41 WeakPolarHBondContact CA-O 3.42Å; R32-Q42 HydrophobicContact CG-CG 4.45Å; R32-D66 IonicContact CZ-OD1 3.43Å; R32-D66 VanDerWaalsContact CZ-OD1 3.27Å; R32-D66 IonicContact CZ-OD2 3.47Å; R32-D66 IonicContact NH1-OD1 3.91Å; R32-D66 PolarHBondContact NH1-OD1 3.09Å; R32-D66 IonicContact NH1-OD2 2.89Å; R32-D66 IonicContact NH2-OD1 2.73Å; R32-D66 PolarHBondContact NH2-OD1 3.15Å; R32-D66 IonicContact NH2-OD2 2.85Å; R32-D66 PolarHBondContact NH2-OD2 3.47Å
33V93.7Very high95.5Very high56 Ų5655 Ų5534%0.33928%0.281SS..EExtended strand (participates in β ladder)trans-100.5115.2176.7-173.10000109E31 I40 E41 V43E31-V33 HydrophobicContact CG-CG2 4.04Å; V33-I40 WeakPolarHBondContact O-CA 3.47Å; V33-E41 HydrophobicContact CB-CB 4.24Å; V33-E41 PolarHBondContact N-O 3.01Å; V33-E41 PolarHBondContact O-N 3.43Å; V33-E41 VanDerWaalsContact O-N 3.1Å; V33-V43 HydrophobicContact CG2-CG2 4.35Å
34Y93.8Very high95.6Very high45 Ų4559 Ų5918%0.17630%0.298CS..  trans-88.6140.2-178.6-68.3-97.7000111M10 R32 I40 A76M10-Y34 HydrophobicContact CB-CE2 4.03Å; M10-Y34 HydrophobicContact CE-CE2 4.19Å; M10-Y34 HydrophobicContact CG-CE2 4.31Å; M10-Y34 HydrophobicContact SD-CE2 3.45Å; M10-Y34 WeakPolarHBondContact SD-CE2 3.25Å; M10-Y34 PolarHBondContact SD-OH 3.4Å; R32-Y34 HydrophobicContact CB-CD2 4.49Å; R32-Y34 HydrophobicContact CB-CE2 3.77Å; Y34-I40 HydrophobicContact CD1-CD1 3.81Å; Y34-I40 HydrophobicContact CD1-CG1 3.77Å; Y34-I40 HydrophobicContact CE1-CD1 3.29Å; Y34-I40 HydrophobicContact CE1-CG1 3.8Å; Y34-I40 HydrophobicContact CG-CG1 4.44Å; Y34-A76 HydrophobicContact CD1-CB 3.88Å
35S93.9Very high95.7Very high33 Ų3361.5 Ų61.523%0.23131%0.311CS..  trans-139.8148.5179.4177.60000111.6D37 Q38 R75 A76S35-D37 PolarHBondContact OG-N 2.97Å; S35-D37 VanDerWaalsContact OG-N 3.11Å; S35-Q38 PolarHBondContact OG-N 2.85Å; S35-R75 WeakPolarHBondContact O-CA 3.37Å; S35-A76 CarbonylContact C-O 3.57Å; S35-A76 WeakPolarHBondContact CA-O 3.13Å; S35-A76 PolarHBondContact N-O 3.43Å; S35-A76 PolarHBondContact O-N 3.35Å; S35-A76 VanDerWaalsContact O-O 3.07Å
36K95.7Very high95.7Very high123 Ų12360 Ų6054%0.53531%0.307SS..SBendtrans-76.1-23.1170.5-87.3-175.6154.21450113.3R75 A76 D77K36-R75 WeakPolarHBondContact O-CD 3.43Å; K36-A76 PolarHBondContact N-O 2.86Å; K36-D77 WeakPolarHBondContact CD-OD1 3.14Å; K36-D77 WeakPolarHBondContact CE-OD1 3.4Å; K36-D77 WeakPolarHBondContact CE-OD2 3.38Å; K36-D77 IonicContact NZ-OD1 3.22Å; K36-D77 PolarHBondContact NZ-OD1 2.92Å; K36-D77 IonicContact NZ-OD2 2.72Å; K36-D77 PolarHBondContact NZ-OD2 3.14Å
37D96.2Very high95.7Very high133 Ų13366 Ų6671%0.71134%0.339SS*.SBendtrans-108.4-26.9-170.4-57.7-47.1000112.2S35 R75S35-D37 PolarHBondContact OG-N 2.97Å; S35-D37 VanDerWaalsContact OG-N 3.11Å; D37-R75 PolarHBondContact O-NE 3.49Å; D37-R75 PolarHBondContact O-NH2 3.39Å
38Q96.2Very high95.6Very high135 Ų13567.9 Ų67.963%0.63134%0.343SS*.SBendtrans-127.3166.1-175-61.3-170.78.700112.3S35 R75S35-Q38 PolarHBondContact OG-N 2.85Å; Q38-R75 WeakPolarHBondContact O-CD 3.42Å; Q38-R75 PolarHBondContact O-NH1 3.49Å; Q38-R75 VanDerWaalsContact O-NH1 3.14Å
39G96.5Very high95.6Very high20 Ų2067.8 Ų67.821%0.20635%0.345CS..PPolyproline II helixtrans-65.3167.8176.900000110.3E41 T72 R75G39-E41 PolarHBondContact O-N 3.46Å; G39-E41 VanDerWaalsContact O-N 3.14Å; G39-T72 WeakPolarHBondContact CA-O 3.43Å; G39-R75 VanDerWaalsContact CA-NH1 3.27Å
40I96Very high95.4Very high14 Ų1468.2 Ų68.27%0.07235%0.347CS..PPolyproline II helixtrans-62.6119.4172.1-62169.9000108.3R32 V33 Y34 L71 T74R32-I40 HydrophobicContact CB-CG2 3.71Å; R32-I40 HydrophobicContact CG-CG2 3.88Å; V33-I40 WeakPolarHBondContact O-CA 3.47Å; Y34-I40 HydrophobicContact CD1-CD1 3.81Å; Y34-I40 HydrophobicContact CD1-CG1 3.77Å; Y34-I40 HydrophobicContact CE1-CD1 3.29Å; Y34-I40 HydrophobicContact CE1-CG1 3.8Å; Y34-I40 HydrophobicContact CG-CG1 4.44Å; I40-L71 HydrophobicContact CB-CB 4.23Å; I40-L71 WeakPolarHBondContact CB-O 3.28Å; I40-L71 HydrophobicContact CD1-CD2 3.77Å; I40-L71 PolarHBondContact N-O 3.3Å; I40-T74 HydrophobicContact CD1-CG2 3.64Å; I40-T74 HydrophobicContact CG1-CG2 4.24Å
41E96.1Very high95.4Very high120 Ų12075 Ų7556%0.56137%0.371SS*.EExtended strand (participates in β ladder)trans-80.6138.8170.3-177.2-177178.100109.2R32 V33 G39 V43R32-E41 WeakPolarHBondContact CA-O 3.42Å; V33-E41 HydrophobicContact CB-CB 4.24Å; V33-E41 PolarHBondContact N-O 3.01Å; V33-E41 PolarHBondContact O-N 3.43Å; V33-E41 VanDerWaalsContact O-N 3.1Å; G39-E41 PolarHBondContact O-N 3.46Å; G39-E41 VanDerWaalsContact O-N 3.14Å; E41-V43 HydrophobicContact CG-CG2 4.25Å
42Q95.3Very high95.2Very high111 Ų11174.6 Ų74.652%0.51937%0.371SS..EExtended strand (participates in β ladder)trans-112.5114177.4-73.6-175.791.900109.6E31 R32 L71E31-Q42 CarbonylContact O-C 2.94Å; E31-Q42 WeakPolarHBondContact O-CA 3.36Å; R32-Q42 HydrophobicContact CG-CG 4.45Å; Q42-L71 HydrophobicContact CG-CD1 4.3Å
43V96.3Very high95Very high50 Ų5078.9 Ų78.930%0.30340%0.396SS..EExtended strand (participates in β ladder)trans-105.1112.2179.2-176.60000108.8C30 E31 V33 E41 L45C30-V43 CarbonylContact C-O 3.58Å; C30-V43 WeakPolarHBondContact CA-O 3.34Å; E31-V43 HydrophobicContact CB-CB 4.24Å; E31-V43 PolarHBondContact N-O 2.82Å; E31-V43 PolarHBondContact O-N 2.87Å; V33-V43 HydrophobicContact CG2-CG2 4.35Å; E41-V43 HydrophobicContact CG-CG2 4.25Å; V43-L45 HydrophobicContact CG1-CD2 4.33Å; V43-L45 PolarHBondContact O-N 2.7Å
44Q97Very high94.8Very high128 Ų12880.3 Ų80.360%0.59840%0.401SS*.EExtended strand (participates in β ladder)trans-73.3126.5179.8-163.265.636.900110.9A29A29-Q44 PolarHBondContact O-NE2 2.94Å; A29-Q44 VanDerWaalsContact O-NE2 3.12Å
45L96.3Very high94.7Very high54 Ų5479.5 Ų79.528%0.28340%0.401SS..EExtended strand (participates in β ladder)trans-108.4-34179.7-55.5176.9000112.3V11 A29 E31 V43 Y48V11-L45 HydrophobicContact CG1-CD1 4.18Å; V11-L45 HydrophobicContact CG2-CD1 4.39Å; A29-L45 HydrophobicContact CB-CB 4.03Å; A29-L45 HydrophobicContact CB-CD1 4.46Å; A29-L45 WeakPolarHBondContact O-CA 3.49Å; A29-L45 WeakPolarHBondContact O-CB 3.35Å; A29-L45 PolarHBondContact O-N 2.89Å; E31-L45 HydrophobicContact CB-CD1 4.17Å; V43-L45 HydrophobicContact CG1-CD2 4.33Å; V43-L45 PolarHBondContact O-N 2.7Å; L45-Y48 HydrophobicContact CB-CD2 4.18Å; L45-Y48 HydrophobicContact CB-CG 4.3Å; L45-Y48 HydrophobicContact CD1-CD1 4.03Å; L45-Y48 HydrophobicContact CD1-CD2 4.21Å; L45-Y48 HydrophobicContact CD1-CE1 4.09Å; L45-Y48 HydrophobicContact CD1-CE2 4.28Å; L45-Y48 HydrophobicContact CD1-CG 4.09Å
46G96.8Very high94.5Very high23 Ų2379.6 Ų79.624%0.23740%0.404CS..EExtended strand (participates in β ladder)trans79.7-130.6-179.200000112.6E28 A29 Y48E28-G46 PolarHBondContact N-O 2.94Å; A29-G46 VanDerWaalsContact CB-O 3.25Å; A29-G46 WeakPolarHBondContact CB-O 3.43Å; A29-G46 PolarHBondContact N-O 2.72Å; A29-G46 PolarHBondContact O-N 2.84Å; G46-Y48 PolarHBondContact O-N 3.46Å
47L97Very high94.3Very high126 Ų12679 Ų7966%0.6641%0.405SS*.EExtended strand (participates in β ladder)trans-73.6116.8173-177.868.5000109.3V25 L26V25-L47 HydrophobicContact CG1-CD1 3.95Å; L26-L47 CarbonylContact O-C 3.6Å; L26-L47 WeakPolarHBondContact O-CA 3.45Å
48Y95.5Very high94.1Very high90 Ų9076.2 Ų76.235%0.35339%0.39SS..EExtended strand (participates in β ladder)trans-134.6134.3-170.3-162.3-115.3000111.9L26 A29 L45 G46 I50L26-Y48 PolarHBondContact N-O 2.79Å; L26-Y48 PolarHBondContact O-N 3.28Å; A29-Y48 HydrophobicContact CB-CG 4.49Å; L45-Y48 HydrophobicContact CB-CD2 4.18Å; L45-Y48 HydrophobicContact CB-CG 4.3Å; L45-Y48 HydrophobicContact CD1-CD1 4.03Å; L45-Y48 HydrophobicContact CD1-CD2 4.21Å; L45-Y48 HydrophobicContact CD1-CE1 4.09Å; L45-Y48 HydrophobicContact CD1-CE2 4.28Å; L45-Y48 HydrophobicContact CD1-CG 4.09Å; G46-Y48 PolarHBondContact O-N 3.46Å; Y48-I50 HydrophobicContact CD1-CD1 4.24Å; Y48-I50 HydrophobicContact CD1-CG1 3.72Å; Y48-I50 HydrophobicContact CE1-CD1 4.32Å; Y48-I50 HydrophobicContact CE1-CG1 3.75Å
49I94.6Very high94Very high120 Ų12071 Ų7162%0.61537%0.372SS*.EExtended strand (participates in β ladder)trans-109.8128.1177.3-59.4177.5000109L24 V25L24-I49 CarbonylContact O-C 3.58Å; L24-I49 VanDerWaalsContact O-CA 3.29Å; L24-I49 WeakPolarHBondContact O-CA 3.4Å; V25-I49 HydrophobicContact CG2-CG1 4.42Å
50I93.1Very high93.9Very high9 Ų979.1 Ų79.15%0.04641%0.405CS..EExtended strand (participates in β ladder)trans-111.1128.7175.6-53177.1000108.5F4 P6 N23 L24 L26 Y48 V55F4-I50 HydrophobicContact CB-CD1 4.41Å; P6-I50 HydrophobicContact CG-CD1 4.49Å; N23-I50 CarbonylContact C-O 3.53Å; N23-I50 WeakPolarHBondContact CA-O 3.41Å; L24-I50 HydrophobicContact CB-CB 4.3Å; L24-I50 HydrophobicContact CD1-CB 4.48Å; L24-I50 HydrophobicContact CD1-CD1 4.5Å; L24-I50 PolarHBondContact N-O 3.4Å; L24-I50 PolarHBondContact O-N 2.84Å; L26-I50 HydrophobicContact CD1-CD1 3.69Å; L26-I50 HydrophobicContact CD1-CG1 4.47Å; L26-I50 HydrophobicContact CG-CD1 4.49Å; Y48-I50 HydrophobicContact CD1-CD1 4.24Å; Y48-I50 HydrophobicContact CD1-CG1 3.72Å; Y48-I50 HydrophobicContact CE1-CD1 4.32Å; Y48-I50 HydrophobicContact CE1-CG1 3.75Å; I50-V55 HydrophobicContact CB-CG2 4.46Å; I50-V55 HydrophobicContact CG2-CG2 3.66Å
51R93.3Very high93.7Very high153 Ų15379.6 Ų79.658%0.57741%0.407SS*.  trans-70.1134.6170.1-78.7-178.661.394.24.6110.3N23 D53 N54N23-R51 VanDerWaalsContact OD1-CA 3.3Å; N23-R51 WeakPolarHBondContact OD1-CA 3.41Å; R51-D53 VanDerWaalsContact C-N 3.27Å; R51-D53 IonicContact CZ-OD2 3.63Å; R51-D53 IonicContact NE-OD2 3.71Å; R51-D53 IonicContact NH2-OD2 2.75Å; R51-D53 PolarHBondContact NH2-OD2 3.36Å; R51-D53 PolarHBondContact O-N 3.32Å; R51-N54 WeakPolarHBondContact O-CB 3.25Å; R51-N54 PolarHBondContact O-N 2.92Å
52G92.3Very high93.6Very high9 Ų978.5 Ų78.59%0.09341%0.405CS..G310 helixtrans-59.7-33.6-175.600000114.7T21 I22 N23 N54 V55T21-G52 WeakPolarHBondContact O-CA 3.28Å; I22-G52 WeakPolarHBondContact O-CA 3.04Å; N23-G52 PolarHBondContact OD1-N 3.43Å; G52-N54 PolarHBondContact O-N 3.14Å; G52-V55 WeakPolarHBondContact O-CB 3.31Å; G52-V55 PolarHBondContact O-N 3.07Å
53D90.4Very high93.4Very high105 Ų10577.1 Ų77.156%0.56140%0.398SS*.G310 helixtrans-60-21175.4-40.8-29.6000113.1R51R51-D53 VanDerWaalsContact C-N 3.27Å; R51-D53 IonicContact CZ-OD2 3.63Å; R51-D53 IonicContact NE-OD2 3.71Å; R51-D53 IonicContact NH2-OD2 2.75Å; R51-D53 PolarHBondContact NH2-OD2 3.36Å; R51-D53 PolarHBondContact O-N 3.32Å
54N89.3Confident93.2Very high86 Ų8678.5 Ų78.546%0.4640%0.402SS..G310 helixtrans-97.8-0.5178.6-65.3-26000112.9P6 V7 R51 G52P6-N54 VanDerWaalsContact CA-O 3.24Å; P6-N54 WeakPolarHBondContact CA-O 3.42Å; V7-N54 PolarHBondContact N-O 2.83Å; R51-N54 WeakPolarHBondContact O-CB 3.25Å; R51-N54 PolarHBondContact O-N 2.92Å; G52-N54 PolarHBondContact O-N 3.14Å
55V90.7Very high93.1Very high27 Ų2778.1 Ų78.116%0.16440%0.401CS..EExtended strand (participates in β ladder)trans-91.1121.4-179.3-179.70000109.4I22 L24 I50 G52 I58I22-V55 HydrophobicContact CG2-CB 4.21Å; I22-V55 HydrophobicContact CG2-CG1 4.07Å; I22-V55 HydrophobicContact CG2-CG2 4.39Å; L24-V55 HydrophobicContact CD1-CG1 4.25Å; L24-V55 HydrophobicContact CD1-CG2 3.67Å; L24-V55 HydrophobicContact CG-CG2 4.23Å; I50-V55 HydrophobicContact CB-CG2 4.46Å; I50-V55 HydrophobicContact CG2-CG2 3.66Å; G52-V55 WeakPolarHBondContact O-CB 3.31Å; G52-V55 PolarHBondContact O-N 3.07Å; V55-I58 HydrophobicContact CG1-CD1 4.05Å; V55-I58 HydrophobicContact CG1-CG1 3.7Å
56A89.6Confident92.9Very high36 Ų3676.2 Ų76.230%0.29839%0.392SS..EExtended strand (participates in β ladder)trans-96.1-51.1174.300000112.6V5 I82V5-A56 VanDerWaalsContact O-CB 3.31Å; V5-A56 WeakPolarHBondContact O-CB 3.41Å; V5-A56 PolarHBondContact O-N 2.84Å; V5-A56 VanDerWaalsContact O-N 3.15Å; A56-I82 HydrophobicContact CB-CD1 3.36Å
57I91.5Very high92.7Very high110 Ų11082.5 Ų82.556%0.56441%0.408SS*.EExtended strand (participates in β ladder)trans-138.8141.3-175.9-61.3176.5000109.3V5V5-I57 HydrophobicContact CB-CB 4.49Å; V5-I57 PolarHBondContact N-O 2.83Å
58I92.9Very high92.7Very high75 Ų7585.3 Ų85.339%0.38541%0.41SS..EExtended strand (participates in β ladder)trans-120.2124.5169.8-53.6-177.2000107.3I2 F4 I22 L24 V55I2-I58 HydrophobicContact CG2-CG2 3.32Å; F4-I58 HydrophobicContact CD1-CB 4.25Å; F4-I58 HydrophobicContact CD1-CD1 4.32Å; F4-I58 HydrophobicContact CD1-CG1 3.79Å; F4-I58 HydrophobicContact CD1-CG2 3.93Å; F4-I58 HydrophobicContact CE1-CB 4.15Å; F4-I58 HydrophobicContact CE1-CD1 3.98Å; F4-I58 HydrophobicContact CE1-CG1 3.83Å; F4-I58 HydrophobicContact CE1-CG2 3.42Å; F4-I58 VanDerWaalsContact CE1-CG2 3.42Å; F4-I58 HydrophobicContact CZ-CG2 4.15Å; I22-I58 HydrophobicContact CG2-CD1 3.79Å; L24-I58 HydrophobicContact CD1-CD1 4.12Å; L24-I58 HydrophobicContact CD2-CD1 3.94Å; V55-I58 HydrophobicContact CG1-CD1 4.05Å; V55-I58 HydrophobicContact CG1-CG1 3.7Å
59G93.6Very high92.6Very high26 Ų2685.2 Ų85.227%0.26842%0.415SS..EExtended strand (participates in β ladder)trans-131133.2179.500000112I2 L3I2-G59 CarbonylContact C-O 3.57Å; I2-G59 WeakPolarHBondContact CA-O 3.24Å; I2-G59 VanDerWaalsContact CG2-O 3.29Å; I2-G59 WeakPolarHBondContact CG2-O 3.4Å; L3-G59 PolarHBondContact N-O 2.79Å; L3-G59 PolarHBondContact O-N 3Å
60E94.3Very high92.7Very high189 Ų18983.2 Ų83.288%0.88341%0.405SS*.EExtended strand (participates in β ladder)trans-68.2139.8170.8-171.4176.4-172.800110.2
61M90.9Very high92.8Very high25 Ų2583.8 Ų83.812%0.12341%0.408CS..  trans-123.5125.5-176.9-150.4172.470.100110.5M1 L3 N12 E63 D66M1-M61 HydrophobicContact CB-CB 4.49Å; M1-M61 HydrophobicContact CB-CE 4.32Å; M1-M61 HydrophobicContact CE-CE 3.19Å; M1-M61 HydrophobicContact CG-CE 3.83Å; M1-M61 PolarHBondContact O-N 3.12Å; M1-M61 HydrophobicContact SD-CE 4Å; L3-M61 HydrophobicContact CB-SD 4.2Å; L3-M61 HydrophobicContact CD1-SD 4.19Å; N12-M61 HydrophobicContact CB-CE 4.38Å; M61-E63 PolarHBondContact O-N 2.85Å; M61-D66 HydrophobicContact CE-CB 3.7Å; M61-D66 VanDerWaalsContact CE-OD1 3.28Å; M61-D66 WeakPolarHBondContact CE-OD1 3.19Å; M61-D66 WeakPolarHBondContact CE-OD2 3.5Å; M61-D66 HydrophobicContact CG-CB 4.49Å; M61-D66 HydrophobicContact SD-CB 4.43Å
62D94.3Very high92.9Very high96 Ų9681.4 Ų81.451%0.51341%0.411SS..  trans-69.9113171-176.4-41.9000109.1E64 M65 D66D62-E64 VanDerWaalsContact C-N 3.31Å; D62-E64 PolarHBondContact O-N 3.47Å; D62-E64 WeakPolarHBondContact OD1-CA 3.42Å; D62-E64 WeakPolarHBondContact OD1-CB 3.37Å; D62-E64 PolarHBondContact OD1-N 2.89Å; D62-M65 HydrophobicContact CB-CB 3.97Å; D62-M65 PolarHBondContact O-N 2.61Å; D62-M65 PolarHBondContact OD1-N 2.73Å; D62-D66 WeakPolarHBondContact O-CB 3.03Å; D62-D66 PolarHBondContact O-N 3.22Å
63E91Very high93.2Very high82 Ų8286.3 Ų86.338%0.38344%0.435SS..Hα-helixtrans-68.3-30.6-175.5-61.4178.7-174.900113M1 M61 R67M1-E63 HydrophobicContact CB-CG 3.78Å; M1-E63 PolarHBondContact N-OE1 3.01Å; M61-E63 PolarHBondContact O-N 2.85Å; E63-R67 WeakPolarHBondContact O-CB 3.4Å; E63-R67 VanDerWaalsContact O-CG 3.25Å; E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 2.73Å; E63-R67 PolarHBondContact O-NE 2.85Å; E63-R67 IonicContact OE2-NH1 3.92Å
64E93.8Very high93.4Very high80 Ų8083.9 Ų83.937%0.37443%0.425SS..Hα-helixtrans-73.5-38.8178.7-179.556.7-159.900111D62 R67 R68D62-E64 VanDerWaalsContact C-N 3.31Å; D62-E64 PolarHBondContact O-N 3.47Å; D62-E64 WeakPolarHBondContact OD1-CA 3.42Å; D62-E64 WeakPolarHBondContact OD1-CB 3.37Å; D62-E64 PolarHBondContact OD1-N 2.89Å; E64-R67 IonicContact OE2-CZ 3.27Å; E64-R67 IonicContact OE2-NE 3.75Å; E64-R67 PolarHBondContact OE2-NE 3.1Å; E64-R67 IonicContact OE2-NH2 2.72Å; E64-R67 PolarHBondContact OE2-NH2 3.12Å; E64-R68 WeakPolarHBondContact O-CD 3.39Å; E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 IonicContact OE1-CZ 3.74Å; E64-R68 VanDerWaalsContact OE1-CZ 3.29Å; E64-R68 IonicContact OE1-NE 2.94Å; E64-R68 PolarHBondContact OE1-NE 2.65Å; E64-R68 IonicContact OE1-NH2 2.7Å; E64-R68 PolarHBondContact OE1-NH2 2.9Å
65M93.5Very high93.8Very high119 Ų11985.5 Ų85.559%0.58642%0.424SS*.Hα-helixtrans-65.1-44.7171.8-172.4179.566.300111.2D62 R67 R68D62-M65 HydrophobicContact CB-CB 3.97Å; D62-M65 PolarHBondContact O-N 2.61Å; D62-M65 PolarHBondContact OD1-N 2.73Å; M65-R67 PolarHBondContact O-N 3.02Å; M65-R68 WeakPolarHBondContact O-CB 3.37Å; M65-R68 PolarHBondContact O-N 2.72Å; M65-R68 VanDerWaalsContact O-N 3.15Å
66D93.1Very high93.9Very high15 Ų1586 Ų868%0.0843%0.431CS..Hα-helixtrans-63.7-40.3-178.2-172.871000112.8M1 R32 M61 D62 R68 L69M1-D66 WeakPolarHBondContact CE-OD2 3.34Å; R32-D66 IonicContact CZ-OD1 3.43Å; R32-D66 VanDerWaalsContact CZ-OD1 3.27Å; R32-D66 IonicContact CZ-OD2 3.47Å; R32-D66 IonicContact NH1-OD1 3.91Å; R32-D66 PolarHBondContact NH1-OD1 3.09Å; R32-D66 IonicContact NH1-OD2 2.89Å; R32-D66 IonicContact NH2-OD1 2.73Å; R32-D66 PolarHBondContact NH2-OD1 3.15Å; R32-D66 IonicContact NH2-OD2 2.85Å; R32-D66 PolarHBondContact NH2-OD2 3.47Å; M61-D66 HydrophobicContact CE-CB 3.7Å; M61-D66 VanDerWaalsContact CE-OD1 3.28Å; M61-D66 WeakPolarHBondContact CE-OD1 3.19Å; M61-D66 WeakPolarHBondContact CE-OD2 3.5Å; M61-D66 HydrophobicContact CG-CB 4.49Å; M61-D66 HydrophobicContact SD-CB 4.43Å; D62-D66 WeakPolarHBondContact O-CB 3.03Å; D62-D66 PolarHBondContact O-N 3.22Å; D66-R68 PolarHBondContact O-N 3.45Å; D66-R68 VanDerWaalsContact O-N 3.1Å; D66-L69 WeakPolarHBondContact O-CB 3.13Å; D66-L69 WeakPolarHBondContact O-CG 2.87Å; D66-L69 PolarHBondContact O-N 3.14Å; D66-L69 VanDerWaalsContact O-N 3.09Å; D66-L69 WeakPolarHBondContact OD1-CD1 3.45Å
67R92.7Very high94Very high155 Ų15588.8 Ų88.859%0.58544%0.441SS*.THydrogen-bonded Turntrans-59.9-20.9175.3-80.8-173.7-65.3-953.9114.1E63 E64 M65E63-R67 WeakPolarHBondContact O-CB 3.4Å; E63-R67 VanDerWaalsContact O-CG 3.25Å; E63-R67 WeakPolarHBondContact O-CG 3.45Å; E63-R67 PolarHBondContact O-N 2.73Å; E63-R67 PolarHBondContact O-NE 2.85Å; E63-R67 IonicContact OE2-NH1 3.92Å; E64-R67 IonicContact OE2-CZ 3.27Å; E64-R67 IonicContact OE2-NE 3.75Å; E64-R67 PolarHBondContact OE2-NE 3.1Å; E64-R67 IonicContact OE2-NH2 2.72Å; E64-R67 PolarHBondContact OE2-NH2 3.12Å; M65-R67 PolarHBondContact O-N 3.02Å
68R96Very high93.9Very high185 Ų18587.4 Ų87.470%0.69844%0.439SS*.THydrogen-bonded Turntrans-89.8-5.2-179.2-64.4169.3-174.2-169.82.7113E64 M65 D66E64-R68 WeakPolarHBondContact O-CD 3.39Å; E64-R68 WeakPolarHBondContact O-CG 3.44Å; E64-R68 IonicContact OE1-CZ 3.74Å; E64-R68 VanDerWaalsContact OE1-CZ 3.29Å; E64-R68 IonicContact OE1-NE 2.94Å; E64-R68 PolarHBondContact OE1-NE 2.65Å; E64-R68 IonicContact OE1-NH2 2.7Å; E64-R68 PolarHBondContact OE1-NH2 2.9Å; M65-R68 WeakPolarHBondContact O-CB 3.37Å; M65-R68 PolarHBondContact O-N 2.72Å; M65-R68 VanDerWaalsContact O-N 3.15Å; D66-R68 PolarHBondContact O-N 3.45Å; D66-R68 VanDerWaalsContact O-N 3.1Å
69L94.2Very high93.6Very high88 Ų8887 Ų8746%0.46144%0.437SS..  trans-73.6134180-63.1176.4000111.4D66 L71D66-L69 WeakPolarHBondContact O-CB 3.13Å; D66-L69 WeakPolarHBondContact O-CG 2.87Å; D66-L69 PolarHBondContact O-N 3.14Å; D66-L69 VanDerWaalsContact O-N 3.09Å; D66-L69 WeakPolarHBondContact OD1-CD1 3.45Å; L69-L71 HydrophobicContact CB-CD2 3.94Å; L69-L71 HydrophobicContact CB-CG 4.41Å; L69-L71 HydrophobicContact CD1-CD2 4.42Å; L69-L71 PolarHBondContact O-N 2.76Å; L69-L71 VanDerWaalsContact O-N 3.12Å
70D96.5Very high93.2Very high77 Ų7793.1 Ų93.141%0.41246%0.461SS..  trans-83.980.8170.2-175.4-9.5000110.1T72 N73 T74D70-T72 PolarHBondContact O-N 3.1Å; D70-T72 PolarHBondContact OD1-N 3.33Å; D70-T72 PolarHBondContact OD1-OG1 3.28Å; D70-N73 PolarHBondContact O-N 2.86Å; D70-N73 PolarHBondContact OD1-N 3.01Å; D70-N73 PolarHBondContact OD1-ND2 3.25Å; D70-N73 WeakPolarHBondContact OD2-CB 3.47Å; D70-N73 PolarHBondContact OD2-ND2 3.11Å; D70-T74 WeakPolarHBondContact O-CB 3.38Å; D70-T74 PolarHBondContact O-N 2.68Å; D70-T74 PolarHBondContact O-OG1 3.01Å
71L95.3Very high92.7Very high21 Ų2186.3 Ų86.311%0.1143%0.433CS..THydrogen-bonded Turntrans-62.6-33.6-179.1-58.9-179.3000112I40 Q42 L69 N73 T74I40-L71 HydrophobicContact CB-CB 4.23Å; I40-L71 WeakPolarHBondContact CB-O 3.28Å; I40-L71 HydrophobicContact CD1-CD2 3.77Å; I40-L71 PolarHBondContact N-O 3.3Å; Q42-L71 HydrophobicContact CG-CD1 4.3Å; L69-L71 HydrophobicContact CB-CD2 3.94Å; L69-L71 HydrophobicContact CB-CG 4.41Å; L69-L71 HydrophobicContact CD1-CD2 4.42Å; L69-L71 PolarHBondContact O-N 2.76Å; L69-L71 VanDerWaalsContact O-N 3.12Å; L71-N73 PolarHBondContact O-N 3.01Å; L71-T74 PolarHBondContact O-N 3.12Å
72T96.2Very high92.2Very high104 Ų10488.6 Ų88.664%0.63845%0.445SS*.THydrogen-bonded Turntrans-64.7-34.1-179.628.70000114G39 D70G39-T72 WeakPolarHBondContact CA-O 3.43Å; D70-T72 PolarHBondContact O-N 3.1Å; D70-T72 PolarHBondContact OD1-N 3.33Å; D70-T72 PolarHBondContact OD1-OG1 3.28Å
73N96.8Very high91.4Very high112 Ų11294.5 Ų94.560%0.59946%0.46SS*.THydrogen-bonded Turntrans-105-7.1179.2-63.8-55.6000113.8D70 L71 R75D70-N73 PolarHBondContact O-N 2.86Å; D70-N73 PolarHBondContact OD1-N 3.01Å; D70-N73 PolarHBondContact OD1-ND2 3.25Å; D70-N73 WeakPolarHBondContact OD2-CB 3.47Å; D70-N73 PolarHBondContact OD2-ND2 3.11Å; L71-N73 PolarHBondContact O-N 3.01Å; N73-R75 PolarHBondContact O-N 3.33Å
74T96.4Very high90.5Very high54 Ų5498.4 Ų98.433%0.33148%0.476SS..  trans-69132.7174.7-62.60000110.5I40 D70 L71I40-T74 HydrophobicContact CD1-CG2 3.64Å; I40-T74 HydrophobicContact CG1-CG2 4.24Å; D70-T74 WeakPolarHBondContact O-CB 3.38Å; D70-T74 PolarHBondContact O-N 2.68Å; D70-T74 PolarHBondContact O-OG1 3.01Å; L71-T74 PolarHBondContact O-N 3.12Å
75R96.2Very high89.3Confident119 Ų119105.5 Ų105.545%0.44952%0.517SS..  trans-129.2131.2-179.2-63.6-103.2-173.6-59.67.8108.6S35 K36 D37 Q38 G39 N73S35-R75 WeakPolarHBondContact O-CA 3.37Å; K36-R75 WeakPolarHBondContact O-CD 3.43Å; D37-R75 PolarHBondContact O-NE 3.49Å; D37-R75 PolarHBondContact O-NH2 3.39Å; Q38-R75 WeakPolarHBondContact O-CD 3.42Å; Q38-R75 PolarHBondContact O-NH1 3.49Å; Q38-R75 VanDerWaalsContact O-NH1 3.14Å; G39-R75 VanDerWaalsContact CA-NH1 3.27Å; N73-R75 PolarHBondContact O-N 3.33Å
76A94.1Very high89Confident38 Ų38104.9 Ų104.931%0.31451%0.513SS..  trans-154.7159.9176.500000111Y34 S35 K36Y34-A76 HydrophobicContact CD1-CB 3.88Å; S35-A76 CarbonylContact C-O 3.57Å; S35-A76 WeakPolarHBondContact CA-O 3.13Å; S35-A76 PolarHBondContact N-O 3.43Å; S35-A76 PolarHBondContact O-N 3.35Å; S35-A76 VanDerWaalsContact O-O 3.07Å; K36-A76 PolarHBondContact N-O 2.86Å
77D92Very high88.8Confident94 Ų94109.6 Ų109.650%0.50354%0.536SS..PPolyproline II helixtrans-59.3142.9168.7-85.6-56.8000111.5K36K36-D77 WeakPolarHBondContact CD-OD1 3.14Å; K36-D77 WeakPolarHBondContact CE-OD1 3.4Å; K36-D77 WeakPolarHBondContact CE-OD2 3.38Å; K36-D77 IonicContact NZ-OD1 3.22Å; K36-D77 PolarHBondContact NZ-OD1 2.92Å; K36-D77 IonicContact NZ-OD2 2.72Å; K36-D77 PolarHBondContact NZ-OD2 3.14Å
78P89.2Confident88.6Confident81 Ų81107.1 Ų107.153%0.52653%0.534SS..PPolyproline II helixtrans-54.6146.5167.4-22.833.1000110.9M80P78-M80 PolarHBondContact O-N 2.95Å
79L86.2Confident88.2Confident67 Ų67102.5 Ų102.535%0.35152%0.524SS..PPolyproline II helixtrans-64132.4174.6-68.4175.1000110.3V5 M10V5-L79 HydrophobicContact CG1-CD1 3.89Å; M10-L79 HydrophobicContact CB-CD1 3.98Å; M10-L79 HydrophobicContact CE-CD1 4.19Å
80M85.3Confident87.8Confident155 Ų155103.4 Ų103.476%0.76453%0.528SS*.PPolyproline II helixtrans-75.8140.9176.7-68.8-67.4-68.700110.4P78P78-M80 PolarHBondContact O-N 2.95Å
81P83.2Confident87.2Confident46 Ų46105.1 Ų105.130%0.29954%0.536SS..PPolyproline II helixtrans-59.5138.817222.4-31.1000111.4V7 V8 W83V7-P81 HydrophobicContact CG1-CB 4.33Å; V7-P81 WeakPolarHBondContact O-CA 3.38Å; V8-P81 HydrophobicContact CG1-CB 4.02Å; P81-W83 HydrophobicContact CB-CZ2 4.46Å; P81-W83 HydrophobicContact CG-CZ2 4.2Å
82I80.7Confident86.7Confident72 Ų72111.1 Ų111.137%0.36957%0.566SS.*PPolyproline II helixtrans-83.7120.5167.2-54.8-177.9000109V7 A56 F84V7-I82 HydrophobicContact CG1-CB 4.1Å; V7-I82 VanDerWaalsContact CG1-N 3.34Å; V7-I82 VanDerWaalsContact CG1-O 3.28Å; V7-I82 WeakPolarHBondContact CG1-O 3.3Å; V7-I82 PolarHBondContact O-N 2.68Å; A56-I82 HydrophobicContact CB-CD1 3.36Å; I82-F84 HydrophobicContact CG2-CD2 4.49Å; I82-F84 HydrophobicContact CG2-CE1 4.09Å; I82-F84 HydrophobicContact CG2-CE2 3.93Å; I82-F84 HydrophobicContact CG2-CZ 3.71Å
83W78.1Confident85.9Confident221 Ų221111.7 Ų111.784%0.83756%0.56SS**PPolyproline II helixtrans-102.1123.5175.3-61.290.9000109.4P81P81-W83 HydrophobicContact CB-CZ2 4.46Å; P81-W83 HydrophobicContact CG-CZ2 4.2Å
84F71.2Confident85Confident163 Ų163111.7 Ų111.772%0.71556%0.557SS**PPolyproline II helixtrans-96.4125.8166.9-57.8-78.5000107.9I82I82-F84 HydrophobicContact CG2-CD2 4.49Å; I82-F84 HydrophobicContact CG2-CE1 4.09Å; I82-F84 HydrophobicContact CG2-CE2 3.93Å; I82-F84 HydrophobicContact CG2-CZ 3.71Å
85N67.6Low84Confident230 Ų230116.9 Ų116.9100%1.2358%0.578SS**  trans-84.50175.4175.860.1000111.2

Retrieved 85 of 85 residues in 398.6 ms (Link to these results)

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