A0A060WJD6_ONCMY Loading...

U6 snRNA-associated Sm-like protein LSm5

Plays a role in U6 snRNP assembly and function. Binds to the 3' end of U6 snRNA. 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.

AlphaFold DB (A0A4W5M0U8), UniProt , Accession A0A060WJD6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LSM5, Length 91 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
1M50Low60.9Low244 Ų244122.5 Ų122.5100%1.20278%0.776SS**  095.40-61.4-58-147.400107.6
2A45.5Very low62.7Low105 Ų105118.8 Ų118.887%0.86875%0.746SS**PPolyproline II helixtrans-80.7128.2175.800000108.3T4A2-T4 PolarHBondContact O-N 2.9Å
3A52.2Low64.9Low96 Ų96117 Ų11779%0.79373%0.727SS**PPolyproline II helixtrans-63.9126.217700000109.4P5A3-P5 WeakPolarHBondContact O-CD 3.28Å
4T58.6Low66.8Low135 Ų135115.9 Ų115.983%0.82872%0.722SS**PPolyproline II helixtrans-62.2120.1166.715.30000107.9A2 A6A2-T4 PolarHBondContact O-N 2.9Å; T4-A6 PolarHBondContact O-N 2.93Å
5P60.7Low68.5Low113 Ų113114.1 Ų114.173%0.73471%0.705SS**PPolyproline II helixtrans-62.4128.2175.724.6-30.5000108.3A3 T7A3-P5 WeakPolarHBondContact O-CD 3.28Å; P5-T7 PolarHBondContact O-N 3.06Å
6A59.2Low70Confident102 Ų102111.8 Ų111.884%0.84368%0.683SS**  trans-63.3107.1172.100000108.1T4 N8T4-A6 PolarHBondContact O-N 2.93Å; A6-N8 PolarHBondContact O-N 3.39Å
7T60.5Low71.3Confident105 Ų105109.5 Ų109.564%0.64467%0.666SS**  trans-60.9123.3172.48.90000108.1P5P5-T7 PolarHBondContact O-N 3.06Å
8N70.1Confident72.6Confident92 Ų92104.2 Ų104.249%0.49263%0.633SS.*  trans-58.7126.7174-169.7-14.2000107.4A6 S10 Q11A6-N8 PolarHBondContact O-N 3.39Å; N8-S10 PolarHBondContact ND2-OG 3.08Å; N8-S10 PolarHBondContact O-N 3.27Å; N8-S10 PolarHBondContact OD1-OG 3.13Å; N8-Q11 HydrophobicContact CB-CB 4.27Å; N8-Q11 WeakPolarHBondContact O-CB 3.31Å; N8-Q11 PolarHBondContact O-N 3.07Å
9P63.2Low73.8Confident139 Ų139103.6 Ų103.690%0.90363%0.626SS**THydrogen-bonded Turntrans-59.6-10.6-178.422-34.3000114
10S73.1Confident74.9Confident95 Ų95104.5 Ų104.566%0.66462%0.621SS**THydrogen-bonded Turntrans-88.8-3.1171.457.90000114.8N8 L12N8-S10 PolarHBondContact ND2-OG 3.08Å; N8-S10 PolarHBondContact O-N 3.27Å; N8-S10 PolarHBondContact OD1-OG 3.13Å; S10-L12 PolarHBondContact O-N 2.91Å
11Q76.9Confident75.8Confident121 Ų12199.9 Ų99.957%0.56559%0.594SS**  trans-98.292.8-175.9-161.8175.7-4.400110.2N8N8-Q11 HydrophobicContact CB-CB 4.27Å; N8-Q11 WeakPolarHBondContact O-CB 3.31Å; N8-Q11 PolarHBondContact O-N 3.07Å
12L82.9Confident78Confident79 Ų7991.6 Ų91.641%0.41455%0.554SS.*  trans-80.6124.8175.2-174.866000110.1S10 E16 L17 K20S10-L12 PolarHBondContact O-N 2.91Å; L12-E16 HydrophobicContact CD1-CB 4.13Å; L12-E16 VanDerWaalsContact CD1-CD 3.5Å; L12-E16 HydrophobicContact CD1-CG 3.95Å; L12-E16 WeakPolarHBondContact CD1-OE1 3.33Å; L12-L17 HydrophobicContact CD2-CB 3.76Å; L12-L17 HydrophobicContact CD2-CD1 3.79Å; L12-L17 HydrophobicContact CD2-CD2 4.42Å; L12-L17 HydrophobicContact CD2-CG 4.18Å; L12-L17 HydrophobicContact CG-CB 4.13Å; L12-K20 HydrophobicContact CD1-CD 4.4Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å
13L90.8Very high80.5Confident95 Ų9589.1 Ų89.150%0.49754%0.539SS..  trans-76.1144.4174-64.4177.3000110.4L15 E16 L17L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.87Å; L13-E16 HydrophobicContact CB-CB 3.99Å; L13-E16 WeakPolarHBondContact O-CA 3.21Å; L13-E16 WeakPolarHBondContact O-CB 3.46Å; L13-E16 PolarHBondContact O-N 2.8Å; L13-L17 PolarHBondContact O-N 2.76Å
14P91.1Very high82.6Confident101 Ų10187.4 Ų87.466%0.65652%0.521SS*.Hα-helixtrans-55.3-44179.9-28.635.6000113.4E16 L17 V18P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 3.29Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.76Å; P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 2.95Å; P14-V18 VanDerWaalsContact O-N 3.13Å
15L92.9Very high84.4Confident89 Ų8986.3 Ų86.347%0.46650%0.502SS..Hα-helixtrans-69.7-30.2177.7-61.4-178.9000112.6L13 L17 V18 D19 F43 V47L13-L15 VanDerWaalsContact C-N 3.31Å; L13-L15 PolarHBondContact O-N 2.87Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-V18 PolarHBondContact O-N 2.84Å; L15-D19 WeakPolarHBondContact O-CB 3.48Å; L15-D19 PolarHBondContact O-N 2.86Å; L15-F43 HydrophobicContact CD2-CE2 4.12Å; L15-V47 HydrophobicContact CD2-CG2 4.31Å
16E92.9Very high86.2Confident77 Ų7781 Ų8136%0.3647%0.467SS..Hα-helixtrans-67.9-35.3173.3-170.4-164.115200111.1L12 L13 P14 K20L12-E16 HydrophobicContact CD1-CB 4.13Å; L12-E16 VanDerWaalsContact CD1-CD 3.5Å; L12-E16 HydrophobicContact CD1-CG 3.95Å; L12-E16 WeakPolarHBondContact CD1-OE1 3.33Å; L13-E16 HydrophobicContact CB-CB 3.99Å; L13-E16 WeakPolarHBondContact O-CA 3.21Å; L13-E16 WeakPolarHBondContact O-CB 3.46Å; L13-E16 PolarHBondContact O-N 2.8Å; P14-E16 VanDerWaalsContact C-N 3.32Å; P14-E16 PolarHBondContact O-N 3.29Å; E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 2.96Å; E16-K20 VanDerWaalsContact O-N 3.09Å; E16-K20 WeakPolarHBondContact OE1-CE 3.27Å; E16-K20 IonicContact OE1-NZ 2.89Å; E16-K20 PolarHBondContact OE1-NZ 2.62Å
17L92.1Very high88Confident74 Ų7476.7 Ų76.739%0.38743%0.429SS..Hα-helixtrans-64.1-44.3172.2177.960.9000111.1L12 L13 P14 L15 K20 C21 P84L12-L17 HydrophobicContact CD2-CB 3.76Å; L12-L17 HydrophobicContact CD2-CD1 3.79Å; L12-L17 HydrophobicContact CD2-CD2 4.42Å; L12-L17 HydrophobicContact CD2-CG 4.18Å; L12-L17 HydrophobicContact CG-CB 4.13Å; L13-L17 PolarHBondContact O-N 2.76Å; P14-L17 WeakPolarHBondContact O-CB 3.47Å; P14-L17 PolarHBondContact O-N 2.76Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L17-K20 PolarHBondContact O-N 2.94Å; L17-C21 PolarHBondContact O-N 3.09Å; L17-C21 PolarHBondContact O-SG 2.8Å; L17-P84 HydrophobicContact CD1-CG 4.39Å; L17-P84 HydrophobicContact CG-CG 4.45Å
18V94.2Very high89.7Confident13 Ų1371.7 Ų71.78%0.07940%0.399CS..Hα-helixtrans-64.8-40.7178.4-179.40000111.3P14 L15 K20 C21 L40 F43 M49 L82P14-V18 WeakPolarHBondContact O-CG2 3.46Å; P14-V18 PolarHBondContact O-N 2.95Å; P14-V18 VanDerWaalsContact O-N 3.13Å; L15-V18 PolarHBondContact O-N 2.84Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.8Å; V18-C21 WeakPolarHBondContact O-CA 3.38Å; V18-C21 VanDerWaalsContact O-CB 3.29Å; V18-C21 WeakPolarHBondContact O-CB 3.07Å; V18-C21 PolarHBondContact O-N 3.47Å; V18-L40 HydrophobicContact CG1-CD2 3.96Å; V18-F43 HydrophobicContact CB-CE1 4.25Å; V18-F43 HydrophobicContact CB-CZ 4.3Å; V18-F43 HydrophobicContact CG1-CD1 3.68Å; V18-F43 HydrophobicContact CG1-CD2 4.33Å; V18-F43 HydrophobicContact CG1-CE1 3.78Å; V18-F43 HydrophobicContact CG1-CE2 4.43Å; V18-F43 HydrophobicContact CG1-CG 3.99Å; V18-F43 HydrophobicContact CG1-CZ 4.16Å; V18-M49 HydrophobicContact CG1-CE 3.9Å; V18-L82 HydrophobicContact CG2-CD1 3.7Å
19D95.6Very high90.9Very high93 Ų9368.5 Ų68.550%0.49738%0.383SS..Hα-helixtrans-58-43.2174.3-174.572.1000112.1L15 C21 I22 F43L15-D19 WeakPolarHBondContact O-CB 3.48Å; L15-D19 PolarHBondContact O-N 2.86Å; D19-C21 PolarHBondContact O-N 3.37Å; D19-C21 VanDerWaalsContact O-N 3.1Å; D19-I22 WeakPolarHBondContact O-CB 3.34Å; D19-I22 WeakPolarHBondContact O-CG1 3.49Å; D19-I22 PolarHBondContact O-N 2.98Å; D19-I22 VanDerWaalsContact O-N 3.09Å; D19-F43 HydrophobicContact CB-CE1 4.19Å; D19-F43 HydrophobicContact CB-CZ 4.37Å
20K94.6Very high92.4Very high121 Ų12163.1 Ų63.153%0.52635%0.346SS..THydrogen-bonded Turntrans-63.9-15.3173.9-72.5173.4-174.9168.20114.1L12 E16 L17 V18L12-K20 HydrophobicContact CD1-CD 4.4Å; L12-K20 VanDerWaalsContact CD1-NZ 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.38Å; E16-K20 PolarHBondContact O-N 2.96Å; E16-K20 VanDerWaalsContact O-N 3.09Å; E16-K20 WeakPolarHBondContact OE1-CE 3.27Å; E16-K20 IonicContact OE1-NZ 2.89Å; E16-K20 PolarHBondContact OE1-NZ 2.62Å; L17-K20 PolarHBondContact O-N 2.94Å; V18-K20 VanDerWaalsContact C-N 3.32Å; V18-K20 PolarHBondContact O-N 2.8Å
21C95.1Very high93.3Very high8 Ų864.7 Ų64.75%0.05434%0.341CS..THydrogen-bonded Turntrans-90-5.6177.5-58.60000113.3L17 V18 D19 G23 S24 I26 L40 P84L17-C21 PolarHBondContact O-N 3.09Å; L17-C21 PolarHBondContact O-SG 2.8Å; V18-C21 WeakPolarHBondContact O-CA 3.38Å; V18-C21 VanDerWaalsContact O-CB 3.29Å; V18-C21 WeakPolarHBondContact O-CB 3.07Å; V18-C21 PolarHBondContact O-N 3.47Å; D19-C21 PolarHBondContact O-N 3.37Å; D19-C21 VanDerWaalsContact O-N 3.1Å; C21-G23 PolarHBondContact O-N 2.85Å; C21-S24 WeakPolarHBondContact O-CA 3.38Å; C21-S24 WeakPolarHBondContact O-CB 3.46Å; C21-S24 PolarHBondContact O-N 3.36Å; C21-I26 HydrophobicContact CB-CD1 4.45Å; C21-L40 HydrophobicContact CB-CD2 4.1Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.47Å
22I96.9Very high93.8Very high70 Ų7064.6 Ų64.636%0.35934%0.344SS..THydrogen-bonded Turntrans-61.2134.5176.4-63.3171.3000109.5D19 S24 L40 F43D19-I22 WeakPolarHBondContact O-CB 3.34Å; D19-I22 WeakPolarHBondContact O-CG1 3.49Å; D19-I22 PolarHBondContact O-N 2.98Å; D19-I22 VanDerWaalsContact O-N 3.09Å; I22-S24 PolarHBondContact O-N 3.06Å; I22-L40 CarbonylContact C-O 3.57Å; I22-L40 WeakPolarHBondContact CA-O 3.42Å; I22-L40 HydrophobicContact CG1-CD2 4.05Å; I22-L40 HydrophobicContact CG1-CG 4.26Å; I22-F43 HydrophobicContact CD1-CD1 4.35Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å
23G96.8Very high93.9Very high54 Ų5466.1 Ų66.156%0.55735%0.353SS*.THydrogen-bonded Turntrans76.6-1-172.900000114.4C21 L40C21-G23 PolarHBondContact O-N 2.85Å; G23-L40 PolarHBondContact N-O 3.01Å
24S97.1Very high94Very high60 Ų6063.9 Ų63.942%0.4234%0.339SS..SBendtrans-108.5158.4177.2-59.30000111.3C21 I22 T39 L40C21-S24 WeakPolarHBondContact O-CA 3.38Å; C21-S24 WeakPolarHBondContact O-CB 3.46Å; C21-S24 PolarHBondContact O-N 3.36Å; I22-S24 PolarHBondContact O-N 3.06Å; S24-T39 WeakPolarHBondContact O-CA 3.45Å; S24-L40 PolarHBondContact O-N 2.85Å
25R96.7Very high94.2Very high112 Ų11261 Ų6142%0.42332%0.317SS..EExtended strand (participates in β ladder)trans-67.9134.6172.5-174.1150.6-103.7146-3.2109.7V37 G38 D53 G85R25-V37 HydrophobicContact CG-CG1 3.8Å; R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.47Å; R25-D53 PolarHBondContact NH2-O 3.07Å; R25-D53 VanDerWaalsContact NH2-O 3.13Å; R25-G85 VanDerWaalsContact O-CA 3.3Å; R25-G85 WeakPolarHBondContact O-CA 3.33Å; R25-G85 PolarHBondContact O-N 2.75Å
26I97.3Very high94.4Very high1 Ų156.8 Ų56.81%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-130.5143178.2-165167.2000109.1C21 I28 V37 G38 L40 L51 L82C21-I26 HydrophobicContact CB-CD1 4.45Å; I26-I28 HydrophobicContact CG1-CG1 4.36Å; I26-I28 HydrophobicContact CG2-CD1 4.24Å; I26-I28 HydrophobicContact CG2-CG1 4.13Å; I26-V37 WeakPolarHBondContact O-CA 3.47Å; I26-G38 PolarHBondContact N-O 2.86Å; I26-G38 PolarHBondContact O-N 2.89Å; I26-L40 HydrophobicContact CD1-CD2 4.37Å; I26-L40 HydrophobicContact CG2-CB 4Å; I26-L51 HydrophobicContact CG2-CD2 3.86Å; I26-L82 HydrophobicContact CD1-CB 4.24Å; I26-L82 HydrophobicContact CD1-CD2 4.07Å
27H97.4Very high94.6Very high11 Ų1153.4 Ų53.45%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-109.8124.2171.8175.2-149.7000109.5E35 I36 V37 I83H27-E35 IonicContact CE1-OE2 2.8Å; H27-E35 PolarHBondContact CE1-OE2 2.82Å; H27-E35 WeakPolarHBondContact NE2-CB 3.48Å; H27-E35 IonicContact NE2-OE2 2.62Å; H27-E35 PolarHBondContact NE2-OE2 3.01Å; H27-I36 CarbonylContact C-O 3.48Å; H27-I36 WeakPolarHBondContact CA-O 3.47Å; H27-V37 HydrophobicContact CB-CG2 4.02Å; H27-V37 VanDerWaalsContact CD2-CG2 3.49Å; H27-V37 WeakPolarHBondContact CD2-CG2 3.41Å; H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.83Å; H27-I83 PolarHBondContact O-N 3.02Å
28I96.4Very high94.8Very high0 Ų049.9 Ų49.90%026%0.261CS..EExtended strand (participates in β ladder)trans-116.5123.9-174.2-51.8-171.1000109.1I26 E35 I36 M49 L51 L74 I79 M81 L82I26-I28 HydrophobicContact CG1-CG1 4.36Å; I26-I28 HydrophobicContact CG2-CD1 4.24Å; I26-I28 HydrophobicContact CG2-CG1 4.13Å; I28-E35 CarbonylContact O-C 3.57Å; I28-E35 WeakPolarHBondContact O-CA 3.32Å; I28-I36 HydrophobicContact CB-CB 4.38Å; I28-I36 PolarHBondContact N-O 3.3Å; I28-I36 PolarHBondContact O-N 3.23Å; I28-M49 HydrophobicContact CD1-SD 3.45Å; I28-M49 WeakPolarHBondContact CD1-SD 3.37Å; I28-L51 HydrophobicContact CD1-CD1 3.85Å; I28-L51 HydrophobicContact CD1-CD2 4.38Å; I28-L74 HydrophobicContact CB-CD2 4.42Å; I28-L74 HydrophobicContact CD1-CD2 3.66Å; I28-L74 HydrophobicContact CG2-CD2 3.91Å; I28-I79 HydrophobicContact CG2-CB 4.44Å; I28-I79 HydrophobicContact CG2-CD1 4.21Å; I28-I79 HydrophobicContact CG2-CG1 3.94Å; I28-I79 HydrophobicContact CG2-CG2 3.96Å; I28-M81 WeakPolarHBondContact CA-O 3.29Å; I28-L82 HydrophobicContact CB-CD2 4.26Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.7Å; I28-L82 HydrophobicContact CG2-CD2 3.94Å
29V95.3Very high95Very high26 Ų2650.2 Ų50.216%0.15826%0.263CS..EExtended strand (participates in β ladder)trans-99.9124.1175.7-173.90000109.1E35 T80 M81 I83V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.16Å; V29-E35 HydrophobicContact CG2-CG 4.2Å; V29-T80 WeakPolarHBondContact O-CA 3.47Å; V29-T80 WeakPolarHBondContact O-CB 3.35Å; V29-T80 PolarHBondContact O-N 2.95Å; V29-M81 HydrophobicContact CB-CB 4.16Å; V29-M81 HydrophobicContact CB-CE 4.21Å; V29-M81 HydrophobicContact CG1-CE 4.14Å; V29-M81 HydrophobicContact CG2-CB 4.34Å; V29-M81 HydrophobicContact CG2-CE 4.25Å; V29-M81 PolarHBondContact N-O 3.36Å; V29-M81 PolarHBondContact O-N 2.75Å; V29-I83 HydrophobicContact CG2-CD1 4.26Å
30M94.9Very high95.1Very high25 Ų2545.8 Ų45.812%0.12324%0.239CC..EExtended strand (participates in β ladder)trans-96.9164.6178.9-56-97.8-74.400111N32 K34 I36 L74 N78 I79M30-N32 VanDerWaalsContact C-N 3.26Å; M30-N32 PolarHBondContact O-N 2.8Å; M30-K34 WeakPolarHBondContact CA-O 3.5Å; M30-K34 HydrophobicContact CB-CB 4.18Å; M30-K34 WeakPolarHBondContact CB-O 3.33Å; M30-K34 HydrophobicContact CG-CB 4.45Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 WeakPolarHBondContact CG-O 3.3Å; M30-K34 PolarHBondContact N-O 3.43Å; M30-I36 HydrophobicContact CG-CD1 4.27Å; M30-I36 HydrophobicContact SD-CD1 4.32Å; M30-L74 HydrophobicContact CE-CD1 4.01Å; M30-L74 HydrophobicContact SD-CD1 3.81Å; M30-L74 HydrophobicContact SD-CD2 4.28Å; M30-L74 HydrophobicContact SD-CG 4.35Å; M30-N78 CarbonylContact C-O 3.56Å; M30-N78 VanDerWaalsContact CA-O 3.28Å; M30-N78 WeakPolarHBondContact CA-O 3.47Å; M30-N78 HydrophobicContact CE-CB 3.77Å; M30-N78 HydrophobicContact SD-CB 4.03Å; M30-I79 HydrophobicContact SD-CG1 4.46Å
31K91.8Very high95.3Very high129 Ų12943.1 Ų43.156%0.56123%0.23SC*.SBendtrans-63.8-20.6179-69.7174-179.1163.30115.6N77 N78 T80K31-N77 PolarHBondContact NZ-O 3.28Å; K31-N78 PolarHBondContact N-O 2.81Å; K31-T80 WeakPolarHBondContact CG-OG1 3.49Å; K31-T80 PolarHBondContact N-OG1 2.95Å
32N86.3Confident95.4Very high119 Ų11943.5 Ų43.564%0.63624%0.236SC*.SBendtrans-113.847.6-166.3-60.9-11.5000113M30 K34M30-N32 VanDerWaalsContact C-N 3.26Å; M30-N32 PolarHBondContact O-N 2.8Å; N32-K34 PolarHBondContact O-N 3Å
33D85.4Confident95.4Very high110 Ų11042.9 Ų42.959%0.58823%0.231SC*.SBendtrans5133.5-178.6-55.5-44.3000113.5I59D33-I59 HydrophobicContact CB-CB 4.06Å; D33-I59 HydrophobicContact CB-CD1 4.32Å; D33-I59 HydrophobicContact CB-CG1 4.4Å; D33-I59 PolarHBondContact O-N 3.13Å; D33-I59 VanDerWaalsContact O-N 3.09Å
34K92.9Very high95.4Very high49 Ų4943.2 Ų43.221%0.21322%0.22CC..EExtended strand (participates in β ladder)trans-120.5130.9-179.6174.7169.6165.6157.50109M30 N32 I36 E56 F57M30-K34 WeakPolarHBondContact CA-O 3.5Å; M30-K34 HydrophobicContact CB-CB 4.18Å; M30-K34 WeakPolarHBondContact CB-O 3.33Å; M30-K34 HydrophobicContact CG-CB 4.45Å; M30-K34 HydrophobicContact CG-CG 4.32Å; M30-K34 WeakPolarHBondContact CG-O 3.3Å; M30-K34 PolarHBondContact N-O 3.43Å; N32-K34 PolarHBondContact O-N 3Å; K34-I36 HydrophobicContact CG-CG1 4.41Å; K34-E56 HydrophobicContact CD-CG 4.29Å; K34-E56 WeakPolarHBondContact CD-OE1 3.46Å; K34-E56 WeakPolarHBondContact CE-OE1 3.33Å; K34-E56 WeakPolarHBondContact CE-OE2 3.42Å; K34-E56 HydrophobicContact CG-CG 4.29Å; K34-E56 IonicContact NZ-OE1 2.69Å; K34-E56 PolarHBondContact NZ-OE1 3.1Å; K34-E56 IonicContact NZ-OE2 2.92Å; K34-E56 PolarHBondContact NZ-OE2 3.45Å; K34-F57 CarbonylContact C-O 3.52Å; K34-F57 WeakPolarHBondContact CA-O 3.13Å
35E95.6Very high95.2Very high40 Ų4047.5 Ų47.519%0.18724%0.238CC..EExtended strand (participates in β ladder)trans-128.1140.9-177.5-74.8177.8-109.300108.9H27 I28 V29 F57 P89H27-E35 IonicContact CE1-OE2 2.8Å; H27-E35 PolarHBondContact CE1-OE2 2.82Å; H27-E35 WeakPolarHBondContact NE2-CB 3.48Å; H27-E35 IonicContact NE2-OE2 2.62Å; H27-E35 PolarHBondContact NE2-OE2 3.01Å; I28-E35 CarbonylContact O-C 3.57Å; I28-E35 WeakPolarHBondContact O-CA 3.32Å; V29-E35 HydrophobicContact CB-CG 4.42Å; V29-E35 HydrophobicContact CG1-CG 4.16Å; V29-E35 HydrophobicContact CG2-CG 4.2Å; E35-F57 HydrophobicContact CB-CB 4.22Å; E35-F57 HydrophobicContact CB-CD2 4.5Å; E35-F57 PolarHBondContact N-O 2.83Å; E35-F57 PolarHBondContact O-N 3.43Å; E35-P89 WeakPolarHBondContact OE2-CG 3.45Å
36I96.4Very high95Very high0 Ų049.7 Ų49.70%025%0.251CS..EExtended strand (participates in β ladder)trans-132.6124.5-172.6-57.8177.4000108.3H27 I28 M30 K34 L51 V54 I72 L74H27-I36 CarbonylContact C-O 3.48Å; H27-I36 WeakPolarHBondContact CA-O 3.47Å; I28-I36 HydrophobicContact CB-CB 4.38Å; I28-I36 PolarHBondContact N-O 3.3Å; I28-I36 PolarHBondContact O-N 3.23Å; M30-I36 HydrophobicContact CG-CD1 4.27Å; M30-I36 HydrophobicContact SD-CD1 4.32Å; K34-I36 HydrophobicContact CG-CG1 4.41Å; I36-L51 HydrophobicContact CG2-CD1 3.75Å; I36-V54 HydrophobicContact CG2-CG1 3.4Å; I36-V54 VanDerWaalsContact CG2-CG1 3.4Å; I36-I72 HydrophobicContact CD1-CD1 4.47Å; I36-I72 HydrophobicContact CG2-CD1 4.24Å; I36-L74 HydrophobicContact CD1-CD1 3.4Å; I36-L74 VanDerWaalsContact CD1-CD1 3.4Å; I36-L74 HydrophobicContact CD1-CD2 3.9Å; I36-L74 HydrophobicContact CD1-CG 4.29Å
37V97.3Very high94.9Very high6 Ų651.3 Ų51.34%0.03626%0.261CS..EExtended strand (participates in β ladder)trans-115.3128.2174.6179.40000108.6R25 I26 H27 V54 T55 F57 G88R25-V37 HydrophobicContact CG-CG1 3.8Å; I26-V37 WeakPolarHBondContact O-CA 3.47Å; H27-V37 HydrophobicContact CB-CG2 4.02Å; H27-V37 VanDerWaalsContact CD2-CG2 3.49Å; H27-V37 WeakPolarHBondContact CD2-CG2 3.41Å; V37-V54 CarbonylContact O-C 3.55Å; V37-V54 WeakPolarHBondContact O-CA 3.29Å; V37-T55 PolarHBondContact N-O 2.87Å; V37-T55 PolarHBondContact O-N 2.94Å; V37-F57 HydrophobicContact CB-CE2 4.25Å; V37-F57 HydrophobicContact CG2-CD2 4.37Å; V37-F57 HydrophobicContact CG2-CE2 3.75Å; V37-G88 VanDerWaalsContact CG2-CA 3.46Å
38G97.4Very high94.9Very high0 Ų052.7 Ų52.70%027%0.268CS..EExtended strand (participates in β ladder)trans-165.2175.2-18000000111.4R25 I26 E52R25-G38 CarbonylContact C-O 3.6Å; R25-G38 WeakPolarHBondContact CA-O 3.47Å; I26-G38 PolarHBondContact N-O 2.86Å; I26-G38 PolarHBondContact O-N 2.89Å; G38-E52 WeakPolarHBondContact CA-O 3.48Å
39T97.8Very high94.9Very high21 Ų2152.7 Ų52.713%0.12927%0.268CS..EExtended strand (participates in β ladder)trans-86.7126.3171.6-57.40000109S24 L41 L51 E52S24-T39 WeakPolarHBondContact O-CA 3.45Å; T39-L41 PolarHBondContact O-N 2.94Å; T39-L51 VanDerWaalsContact O-CA 3.29Å; T39-L51 WeakPolarHBondContact O-CA 3.45Å; T39-E52 HydrophobicContact CG2-CG 4.25Å; T39-E52 PolarHBondContact N-O 3.09Å; T39-E52 PolarHBondContact O-N 3.02Å
40L98.1Very high95.1Very high0 Ų053.9 Ų53.90%028%0.276CS..EExtended strand (participates in β ladder)trans-75.4115.8179.6179.162.7000110.5V18 C21 I22 G23 S24 I26 G42 M49 L51V18-L40 HydrophobicContact CG1-CD2 3.96Å; C21-L40 HydrophobicContact CB-CD2 4.1Å; I22-L40 CarbonylContact C-O 3.57Å; I22-L40 WeakPolarHBondContact CA-O 3.42Å; I22-L40 HydrophobicContact CG1-CD2 4.05Å; I22-L40 HydrophobicContact CG1-CG 4.26Å; G23-L40 PolarHBondContact N-O 3.01Å; S24-L40 PolarHBondContact O-N 2.85Å; I26-L40 HydrophobicContact CD1-CD2 4.37Å; I26-L40 HydrophobicContact CG2-CB 4Å; L40-G42 WeakPolarHBondContact CD1-O 3.13Å; L40-M49 HydrophobicContact CD1-CB 4.03Å; L40-M49 HydrophobicContact CD1-CG 4.19Å; L40-M49 HydrophobicContact CD1-SD 3.94Å; L40-L51 HydrophobicContact CB-CD2 4.17Å; L40-L51 HydrophobicContact CD1-CD2 3.82Å
41L98.1Very high95.2Very high64 Ų6452.7 Ų52.734%0.33527%0.27SS..EExtended strand (participates in β ladder)trans-88.9-28.8175.3-67.5-176.1000112.8T39 V50 E52 Q71T39-L41 PolarHBondContact O-N 2.94Å; L41-V50 HydrophobicContact CB-CB 4.17Å; L41-V50 HydrophobicContact CB-CG1 4.06Å; L41-V50 WeakPolarHBondContact CB-O 3.28Å; L41-V50 HydrophobicContact CD1-CG1 4.01Å; L41-V50 PolarHBondContact N-O 2.92Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.1Å; L41-E52 VanDerWaalsContact CD2-CD 3.49Å; L41-E52 HydrophobicContact CD2-CG 3.96Å; L41-E52 HydrophobicContact CG-CB 4.27Å; L41-E52 HydrophobicContact CG-CG 3.96Å; L41-Q71 VanDerWaalsContact CD1-NE2 3.33Å
42G97.3Very high95.5Very high17 Ų1749.9 Ų49.918%0.17526%0.259CS..EExtended strand (participates in β ladder)trans169.5170.4178.100000112.1L40 M49 V50L40-G42 WeakPolarHBondContact CD1-O 3.13Å; G42-M49 WeakPolarHBondContact O-CA 3.45Å; G42-V50 PolarHBondContact O-N 2.76Å
43F97.8Very high96Very high56 Ų5648.9 Ų48.925%0.24625%0.253CS..EExtended strand (participates in β ladder)trans-145.2165.3177.470.3-76.5000110.7L15 V18 D19 I22 N48 M49L15-F43 HydrophobicContact CD2-CE2 4.12Å; V18-F43 HydrophobicContact CB-CE1 4.25Å; V18-F43 HydrophobicContact CB-CZ 4.3Å; V18-F43 HydrophobicContact CG1-CD1 3.68Å; V18-F43 HydrophobicContact CG1-CD2 4.33Å; V18-F43 HydrophobicContact CG1-CE1 3.78Å; V18-F43 HydrophobicContact CG1-CE2 4.43Å; V18-F43 HydrophobicContact CG1-CG 3.99Å; V18-F43 HydrophobicContact CG1-CZ 4.16Å; D19-F43 HydrophobicContact CB-CE1 4.19Å; D19-F43 HydrophobicContact CB-CZ 4.37Å; I22-F43 HydrophobicContact CD1-CD1 4.35Å; I22-F43 HydrophobicContact CD1-CE1 4.18Å; F43-N48 CarbonylContact C-O 3.58Å; F43-N48 WeakPolarHBondContact CA-O 3.49Å; F43-N48 WeakPolarHBondContact CB-O 3.43Å; F43-M49 HydrophobicContact CB-CG 4.02Å
44D95.5Very high96.6Very high62 Ų6243.7 Ų43.733%0.33223%0.226SC..  trans-111.4-179.7174.671.65.9000112.6F46 V47 N48D44-F46 PolarHBondContact O-N 2.77Å; D44-F46 VanDerWaalsContact O-N 3.11Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.48Å; D44-F46 WeakPolarHBondContact OD1-CB 3.26Å; D44-F46 PolarHBondContact OD1-N 2.84Å; D44-V47 PolarHBondContact O-N 3.25Å; D44-V47 PolarHBondContact OD1-N 2.97Å; D44-N48 PolarHBondContact N-O 2.91Å; D44-N48 VanDerWaalsContact N-O 3.13Å; D44-N48 WeakPolarHBondContact OD1-CB 3.19Å; D44-N48 PolarHBondContact OD1-N 2.87Å; D44-N48 PolarHBondContact OD1-ND2 3.22Å; D44-N48 PolarHBondContact OD2-ND2 2.82Å
45D93.1Very high96.8Very high149 Ų14942.6 Ų42.680%0.79722%0.223SC*.THydrogen-bonded Turntrans-61-20.1179.1-66.4-27.3000113.7
46F93.9Very high96.7Very high159 Ų15941.9 Ų41.970%0.69722%0.22SC*.THydrogen-bonded Turntrans-94.74.7176.4-58.1-74000112.5D44 N48D44-F46 PolarHBondContact O-N 2.77Å; D44-F46 VanDerWaalsContact O-N 3.11Å; D44-F46 VanDerWaalsContact OD1-C 3.3Å; D44-F46 WeakPolarHBondContact OD1-CA 3.48Å; D44-F46 WeakPolarHBondContact OD1-CB 3.26Å; D44-F46 PolarHBondContact OD1-N 2.84Å; F46-N48 PolarHBondContact O-N 3.28Å
47V95.2Very high96.7Very high35 Ų3543 Ų4321%0.21222%0.224CC..  trans61.627.9-178.7-161.60000111.5L15 D44 M49 G76 I79 L82L15-V47 HydrophobicContact CD2-CG2 4.31Å; D44-V47 PolarHBondContact O-N 3.25Å; D44-V47 PolarHBondContact OD1-N 2.97Å; V47-M49 HydrophobicContact CG1-CE 3.41Å; V47-M49 VanDerWaalsContact CG1-CE 3.41Å; V47-G76 VanDerWaalsContact O-CA 3.24Å; V47-G76 WeakPolarHBondContact O-CA 3.46Å; V47-I79 HydrophobicContact CG1-CD1 4.36Å; V47-I79 WeakPolarHBondContact O-CD1 3.35Å; V47-L82 HydrophobicContact CG1-CD1 4.33Å
48N96.3Very high96.5Very high39 Ų3945.8 Ų45.821%0.20924%0.237CC..  trans-69.4134.6160.8-58.2-58000107.7F43 D44 F46 L73 L74 N75 G76F43-N48 CarbonylContact C-O 3.58Å; F43-N48 WeakPolarHBondContact CA-O 3.49Å; F43-N48 WeakPolarHBondContact CB-O 3.43Å; D44-N48 PolarHBondContact N-O 2.91Å; D44-N48 VanDerWaalsContact N-O 3.13Å; D44-N48 WeakPolarHBondContact OD1-CB 3.19Å; D44-N48 PolarHBondContact OD1-N 2.87Å; D44-N48 PolarHBondContact OD1-ND2 3.22Å; D44-N48 PolarHBondContact OD2-ND2 2.82Å; F46-N48 PolarHBondContact O-N 3.28Å; N48-L73 HydrophobicContact CB-CD1 4.41Å; N48-L74 CarbonylContact C-O 3.58Å; N48-L74 VanDerWaalsContact CA-O 3.26Å; N48-L74 WeakPolarHBondContact CA-O 3.35Å; N48-N75 WeakPolarHBondContact OD1-CA 3.41Å; N48-G76 PolarHBondContact OD1-N 3Å
49M97.4Very high96Very high0 Ų050.9 Ų50.90%026%0.263CS..EExtended strand (participates in β ladder)trans-121.4136.9-171.2-60.7-166.8171.700111.9V18 I28 L40 G42 F43 V47 L51 L74 I79 L82V18-M49 HydrophobicContact CG1-CE 3.9Å; I28-M49 HydrophobicContact CD1-SD 3.45Å; I28-M49 WeakPolarHBondContact CD1-SD 3.37Å; L40-M49 HydrophobicContact CD1-CB 4.03Å; L40-M49 HydrophobicContact CD1-CG 4.19Å; L40-M49 HydrophobicContact CD1-SD 3.94Å; G42-M49 WeakPolarHBondContact O-CA 3.45Å; F43-M49 HydrophobicContact CB-CG 4.02Å; V47-M49 HydrophobicContact CG1-CE 3.41Å; V47-M49 VanDerWaalsContact CG1-CE 3.41Å; M49-L51 HydrophobicContact CB-CD2 4.45Å; M49-L74 HydrophobicContact CB-CB 4.4Å; M49-L74 PolarHBondContact N-O 3.24Å; M49-L74 PolarHBondContact O-N 3.13Å; M49-I79 HydrophobicContact CE-CD1 4.34Å; M49-I79 HydrophobicContact CG-CD1 4.24Å; M49-I79 HydrophobicContact SD-CD1 4.22Å; M49-L82 HydrophobicContact CE-CD1 3.43Å; M49-L82 VanDerWaalsContact CE-CD1 3.43Å; M49-L82 HydrophobicContact CE-CD2 3.44Å; M49-L82 VanDerWaalsContact CE-CD2 3.44Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.88Å
50V98.1Very high95.4Very high52 Ų5251.7 Ų51.732%0.31527%0.268SS..EExtended strand (participates in β ladder)trans-94.8123.5166.9-174.40000107.7L41 G42 Q71 I72 L73L41-V50 HydrophobicContact CB-CB 4.17Å; L41-V50 HydrophobicContact CB-CG1 4.06Å; L41-V50 WeakPolarHBondContact CB-O 3.28Å; L41-V50 HydrophobicContact CD1-CG1 4.01Å; L41-V50 PolarHBondContact N-O 2.92Å; G42-V50 PolarHBondContact O-N 2.76Å; V50-Q71 HydrophobicContact CG1-CG 4.29Å; V50-I72 WeakPolarHBondContact CA-O 3.42Å; V50-L73 HydrophobicContact CG2-CD1 3.97Å
51L98Very high94.9Very high0 Ų058.6 Ų58.60%031%0.313CS..EExtended strand (participates in β ladder)trans-123.9147179.6-59.9-179000110.7I26 I28 I36 T39 L40 M49 V54 Q71 I72I26-L51 HydrophobicContact CG2-CD2 3.86Å; I28-L51 HydrophobicContact CD1-CD1 3.85Å; I28-L51 HydrophobicContact CD1-CD2 4.38Å; I36-L51 HydrophobicContact CG2-CD1 3.75Å; T39-L51 VanDerWaalsContact O-CA 3.29Å; T39-L51 WeakPolarHBondContact O-CA 3.45Å; L40-L51 HydrophobicContact CB-CD2 4.17Å; L40-L51 HydrophobicContact CD1-CD2 3.82Å; M49-L51 HydrophobicContact CB-CD2 4.45Å; L51-V54 HydrophobicContact CB-CG2 3.46Å; L51-V54 VanDerWaalsContact CB-CG2 3.46Å; L51-V54 HydrophobicContact CD1-CG2 4.39Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.27Å; L51-Q71 WeakPolarHBondContact O-CA 3.41Å; L51-Q71 WeakPolarHBondContact O-CG 3.44Å; L51-I72 HydrophobicContact CB-CG1 4.06Å; L51-I72 HydrophobicContact CD1-CD1 4.39Å; L51-I72 PolarHBondContact N-O 3.13Å; L51-I72 PolarHBondContact O-N 3.32Å
52E98.1Very high94.2Very high70 Ų7064.7 Ų64.733%0.32734%0.34SS..EExtended strand (participates in β ladder)trans-120.8165.5169.267.9-179.6-171.800112.2G38 T39 L41 V54 D70G38-E52 WeakPolarHBondContact CA-O 3.48Å; T39-E52 HydrophobicContact CG2-CG 4.25Å; T39-E52 PolarHBondContact N-O 3.09Å; T39-E52 PolarHBondContact O-N 3.02Å; L41-E52 HydrophobicContact CD1-CB 3.93Å; L41-E52 HydrophobicContact CD1-CG 4.1Å; L41-E52 VanDerWaalsContact CD2-CD 3.49Å; L41-E52 HydrophobicContact CD2-CG 3.96Å; L41-E52 HydrophobicContact CG-CB 4.27Å; L41-E52 HydrophobicContact CG-CG 3.96Å; E52-V54 VanDerWaalsContact C-N 3.26Å; E52-V54 PolarHBondContact O-N 3.33Å; E52-D70 CarbonylContact C-O 3.57Å; E52-D70 WeakPolarHBondContact CA-O 3.34Å
53D96.8Very high93.6Very high98 Ų9865.6 Ų65.652%0.52435%0.349SS..EExtended strand (participates in β ladder)trans48.949.7-178.5-70.3-37.5000112.1R25 D70R25-D53 PolarHBondContact NH2-O 3.07Å; R25-D53 VanDerWaalsContact NH2-O 3.13Å; D53-D70 PolarHBondContact N-O 2.9Å
54V97.3Very high93.1Very high1 Ų167 Ų671%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-84.5134.5-168.1-179.30000111.3I36 V37 L51 E52 K68 L69 I72I36-V54 HydrophobicContact CG2-CG1 3.4Å; I36-V54 VanDerWaalsContact CG2-CG1 3.4Å; V37-V54 CarbonylContact O-C 3.55Å; V37-V54 WeakPolarHBondContact O-CA 3.29Å; L51-V54 HydrophobicContact CB-CG2 3.46Å; L51-V54 VanDerWaalsContact CB-CG2 3.46Å; L51-V54 HydrophobicContact CD1-CG2 4.39Å; E52-V54 VanDerWaalsContact C-N 3.26Å; E52-V54 PolarHBondContact O-N 3.33Å; V54-K68 CarbonylContact O-C 3.54Å; V54-K68 VanDerWaalsContact O-CA 3.28Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å; V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.3Å; V54-L69 PolarHBondContact O-N 3.42Å; V54-I72 HydrophobicContact CG1-CD1 3.95Å; V54-I72 HydrophobicContact CG1-CG1 4.48Å; V54-I72 HydrophobicContact CG2-CD1 4.26Å; V54-I72 HydrophobicContact CG2-CG1 3.93Å
55T96.5Very high93Very high25 Ų2571.3 Ų71.315%0.15337%0.365CS..EExtended strand (participates in β ladder)trans-116.4116.4165.3-54.80000108.7V37 F57 I66 T67V37-T55 PolarHBondContact N-O 2.87Å; V37-T55 PolarHBondContact O-N 2.94Å; T55-F57 HydrophobicContact CG2-CD1 4.47Å; T55-F57 HydrophobicContact CG2-CD2 4.48Å; T55-F57 HydrophobicContact CG2-CE1 3.82Å; T55-F57 HydrophobicContact CG2-CE2 3.8Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; T55-I66 HydrophobicContact CG2-CG2 3.59Å; T55-T67 WeakPolarHBondContact CA-O 3.36Å
56E95.5Very high93Very high26 Ų2668.7 Ų68.712%0.12135%0.35CS..EExtended strand (participates in β ladder)trans-95.2132.9174175.4178157.600109.9K34 I66 T67K34-E56 HydrophobicContact CD-CG 4.29Å; K34-E56 WeakPolarHBondContact CD-OE1 3.46Å; K34-E56 WeakPolarHBondContact CE-OE1 3.33Å; K34-E56 WeakPolarHBondContact CE-OE2 3.42Å; K34-E56 HydrophobicContact CG-CG 4.29Å; K34-E56 IonicContact NZ-OE1 2.69Å; K34-E56 PolarHBondContact NZ-OE1 3.1Å; K34-E56 IonicContact NZ-OE2 2.92Å; K34-E56 PolarHBondContact NZ-OE2 3.45Å; E56-I66 CarbonylContact O-C 3.57Å; E56-I66 VanDerWaalsContact O-CA 3.31Å; E56-I66 WeakPolarHBondContact O-CA 3.24Å; E56-T67 PolarHBondContact N-O 3.09Å; E56-T67 PolarHBondContact O-N 2.81Å
57F94.7Very high93.1Very high22 Ų2263 Ų6310%0.09633%0.328CS..EExtended strand (participates in β ladder)trans-115.8124.6173.2-55.6-78.9000108.7K34 E35 V37 T55 R64 R65 I66K34-F57 CarbonylContact C-O 3.52Å; K34-F57 WeakPolarHBondContact CA-O 3.13Å; E35-F57 HydrophobicContact CB-CB 4.22Å; E35-F57 HydrophobicContact CB-CD2 4.5Å; E35-F57 PolarHBondContact N-O 2.83Å; E35-F57 PolarHBondContact O-N 3.43Å; V37-F57 HydrophobicContact CB-CE2 4.25Å; V37-F57 HydrophobicContact CG2-CD2 4.37Å; V37-F57 HydrophobicContact CG2-CE2 3.75Å; T55-F57 HydrophobicContact CG2-CD1 4.47Å; T55-F57 HydrophobicContact CG2-CD2 4.48Å; T55-F57 HydrophobicContact CG2-CE1 3.82Å; T55-F57 HydrophobicContact CG2-CE2 3.8Å; T55-F57 HydrophobicContact CG2-CZ 3.44Å; T55-F57 VanDerWaalsContact CG2-CZ 3.44Å; F57-R64 VanDerWaalsContact CD1-NE 3.28Å; F57-R65 WeakPolarHBondContact CA-O 3.22Å; F57-I66 HydrophobicContact CD1-CD1 4.18Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.24Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.16Å; F57-I66 HydrophobicContact CE1-CG2 4.06Å
58E92.9Very high93.1Very high65 Ų6569.4 Ų69.430%0.30435%0.353SS..EExtended strand (participates in β ladder)trans-126.5130.4177.2-176-178.7-15500108.5T60 R64 R65E58-T60 HydrophobicContact CG-CG2 4.14Å; E58-R64 WeakPolarHBondContact O-CA 3.44Å; E58-R65 HydrophobicContact CB-CB 4.38Å; E58-R65 PolarHBondContact N-O 3.19Å; E58-R65 PolarHBondContact O-N 2.92Å
59I87.4Confident93.2Very high107 Ų10770.5 Ų70.555%0.54936%0.358SS..EExtended strand (participates in β ladder)trans-86.8112.4173-55.6179.1000107.8D33D33-I59 HydrophobicContact CB-CB 4.06Å; D33-I59 HydrophobicContact CB-CD1 4.32Å; D33-I59 HydrophobicContact CB-CG1 4.4Å; D33-I59 PolarHBondContact O-N 3.13Å; D33-I59 VanDerWaalsContact O-N 3.09Å
60T86.6Confident93.1Very high38 Ų3877.4 Ų77.423%0.23340%0.395CS..EExtended strand (participates in β ladder)trans-108.2162.4173.981.60000110.1E58 E62 G63 R65E58-T60 HydrophobicContact CG-CG2 4.14Å; T60-E62 PolarHBondContact O-N 2.82Å; T60-E62 VanDerWaalsContact O-N 3.08Å; T60-E62 PolarHBondContact OG1-N 3.29Å; T60-G63 WeakPolarHBondContact CA-O 3.47Å; T60-G63 PolarHBondContact N-O 2.96Å; T60-G63 PolarHBondContact O-N 2.98Å; T60-G63 VanDerWaalsContact O-O 3.13Å; T60-G63 PolarHBondContact OG1-N 2.9Å; T60-G63 PolarHBondContact OG1-O 3.36Å; T60-R65 HydrophobicContact CG2-CB 4.22Å
61P85.6Confident93.1Very high145 Ų14581 Ų8194%0.94241%0.408SS*.THydrogen-bonded Turntrans-58.4-20.3173.6-24.434.7000114
62E84.8Confident93Very high192 Ų19282.6 Ų82.690%0.89742%0.417SS*.THydrogen-bonded Turntrans-93.2-8.6-178.4-64.4162.5-171.100112.3T60T60-E62 PolarHBondContact O-N 2.82Å; T60-E62 VanDerWaalsContact O-N 3.08Å; T60-E62 PolarHBondContact OG1-N 3.29Å
63G85.1Confident93Very high36 Ų3685.5 Ų85.537%0.37143%0.434SS..EExtended strand (participates in β ladder)trans134.3-164.9-18000000112.9T60T60-G63 WeakPolarHBondContact CA-O 3.47Å; T60-G63 PolarHBondContact N-O 2.96Å; T60-G63 PolarHBondContact O-N 2.98Å; T60-G63 VanDerWaalsContact O-O 3.13Å; T60-G63 PolarHBondContact OG1-N 2.9Å; T60-G63 PolarHBondContact OG1-O 3.36Å
64R87.2Confident93Very high86 Ų8681.4 Ų81.433%0.32541%0.412SS..EExtended strand (participates in β ladder)trans-86.7121.9178.2-172.5170.8174.8-173.8-7.2109.9F57 E58 I66 P89F57-R64 VanDerWaalsContact CD1-NE 3.28Å; E58-R64 WeakPolarHBondContact O-CA 3.44Å; R64-I66 HydrophobicContact CG-CG1 4.46Å; R64-P89 PolarHBondContact NH1-O 3.11Å; R64-P89 VanDerWaalsContact NH2-CD 3.27Å; R64-P89 PolarHBondContact NH2-O 3.02Å
65R91.8Very high92.8Very high153 Ų15385 Ų8558%0.57743%0.431SS*.EExtended strand (participates in β ladder)trans-93.8131.2171.9-175.7179.5-178.9175.52.3109.5F57 E58 T60F57-R65 WeakPolarHBondContact CA-O 3.22Å; E58-R65 HydrophobicContact CB-CB 4.38Å; E58-R65 PolarHBondContact N-O 3.19Å; E58-R65 PolarHBondContact O-N 2.92Å; T60-R65 HydrophobicContact CG2-CB 4.22Å
66I94Very high92.7Very high94 Ų9484.3 Ų84.348%0.48243%0.429SS..EExtended strand (participates in β ladder)trans-116.9124.4177.1-51-177.1000108.8T55 E56 F57 R64T55-I66 HydrophobicContact CG2-CG2 3.59Å; E56-I66 CarbonylContact O-C 3.57Å; E56-I66 VanDerWaalsContact O-CA 3.31Å; E56-I66 WeakPolarHBondContact O-CA 3.24Å; F57-I66 HydrophobicContact CD1-CD1 4.18Å; F57-I66 HydrophobicContact CD1-CG1 3.9Å; F57-I66 HydrophobicContact CD1-CG2 4.24Å; F57-I66 HydrophobicContact CE1-CD1 3.99Å; F57-I66 HydrophobicContact CE1-CG1 4.16Å; F57-I66 HydrophobicContact CE1-CG2 4.06Å; R64-I66 HydrophobicContact CG-CG1 4.46Å
67T95.2Very high92.6Very high39 Ų3988.7 Ų88.724%0.23945%0.453CS..EExtended strand (participates in β ladder)trans-124.8133.4177.7-52.40000109.6T55 E56 L69T55-T67 WeakPolarHBondContact CA-O 3.36Å; E56-T67 PolarHBondContact N-O 3.09Å; E56-T67 PolarHBondContact O-N 2.81Å; T67-L69 HydrophobicContact CG2-CD2 4.17Å; T67-L69 HydrophobicContact CG2-CG 4.23Å
68K96.3Very high92.5Very high170 Ų17090.6 Ų90.674%0.73947%0.465SS*.EExtended strand (participates in β ladder)trans-103.6136.5173.3-67.9-171.1176.1-173.20110.4V54V54-K68 CarbonylContact O-C 3.54Å; V54-K68 VanDerWaalsContact O-CA 3.28Å; V54-K68 WeakPolarHBondContact O-CA 3.49Å
69L97.1Very high92.6Very high62 Ų6288.8 Ų88.833%0.32546%0.457SS..EExtended strand (participates in β ladder)trans-137.9138.8-177.5-60.2169.3000108.8V54 T67 I72V54-L69 HydrophobicContact CB-CB 4.33Å; V54-L69 PolarHBondContact N-O 3.3Å; V54-L69 PolarHBondContact O-N 3.42Å; T67-L69 HydrophobicContact CG2-CD2 4.17Å; T67-L69 HydrophobicContact CG2-CG 4.23Å; L69-I72 HydrophobicContact CB-CG2 3.9Å; L69-I72 HydrophobicContact CD1-CG2 3.65Å; L69-I72 HydrophobicContact CG-CG2 4.38Å
70D96.9Very high93Very high144 Ų14487.4 Ų87.477%0.7745%0.454SS*.EExtended strand (participates in β ladder)trans-69.8-50.4-176.4-61.7-27.8000111.4E52 D53E52-D70 CarbonylContact C-O 3.57Å; E52-D70 WeakPolarHBondContact CA-O 3.34Å; D53-D70 PolarHBondContact N-O 2.9Å
71Q96.6Very high93.4Very high127 Ų12790.7 Ų90.759%0.59347%0.468SS*.EExtended strand (participates in β ladder)trans-148.3140.3178.8-171.3177.366.700110.8L41 V50 L51L41-Q71 VanDerWaalsContact CD1-NE2 3.33Å; V50-Q71 HydrophobicContact CG1-CG 4.29Å; L51-Q71 CarbonylContact O-C 3.56Å; L51-Q71 VanDerWaalsContact O-CA 3.27Å; L51-Q71 WeakPolarHBondContact O-CA 3.41Å; L51-Q71 WeakPolarHBondContact O-CG 3.44Å
72I97.6Very high93.9Very high34 Ų3486.2 Ų86.217%0.17444%0.436CS..EExtended strand (participates in β ladder)trans-137.2155176.366.4169.2000112I36 V50 L51 V54 L69 L74I36-I72 HydrophobicContact CD1-CD1 4.47Å; I36-I72 HydrophobicContact CG2-CD1 4.24Å; V50-I72 WeakPolarHBondContact CA-O 3.42Å; L51-I72 HydrophobicContact CB-CG1 4.06Å; L51-I72 HydrophobicContact CD1-CD1 4.39Å; L51-I72 PolarHBondContact N-O 3.13Å; L51-I72 PolarHBondContact O-N 3.32Å; V54-I72 HydrophobicContact CG1-CD1 3.95Å; V54-I72 HydrophobicContact CG1-CG1 4.48Å; V54-I72 HydrophobicContact CG2-CD1 4.26Å; V54-I72 HydrophobicContact CG2-CG1 3.93Å; L69-I72 HydrophobicContact CB-CG2 3.9Å; L69-I72 HydrophobicContact CD1-CG2 3.65Å; L69-I72 HydrophobicContact CG-CG2 4.38Å; I72-L74 HydrophobicContact CD1-CB 4.48Å
73L97.4Very high94.5Very high131 Ų13180.4 Ų80.469%0.68641%0.41SS*.EExtended strand (participates in β ladder)trans-101.3116.8159.4178.864.9000108.5N48 V50N48-L73 HydrophobicContact CB-CD1 4.41Å; V50-L73 HydrophobicContact CG2-CD1 3.97Å
74L96.3Very high94.9Very high13 Ų1381.7 Ų81.77%0.06841%0.412CS..EExtended strand (participates in β ladder)trans-96130.9179.4-17363.6000110.8I28 M30 I36 N48 M49 I72 I79I28-L74 HydrophobicContact CB-CD2 4.42Å; I28-L74 HydrophobicContact CD1-CD2 3.66Å; I28-L74 HydrophobicContact CG2-CD2 3.91Å; M30-L74 HydrophobicContact CE-CD1 4.01Å; M30-L74 HydrophobicContact SD-CD1 3.81Å; M30-L74 HydrophobicContact SD-CD2 4.28Å; M30-L74 HydrophobicContact SD-CG 4.35Å; I36-L74 HydrophobicContact CD1-CD1 3.4Å; I36-L74 VanDerWaalsContact CD1-CD1 3.4Å; I36-L74 HydrophobicContact CD1-CD2 3.9Å; I36-L74 HydrophobicContact CD1-CG 4.29Å; N48-L74 CarbonylContact C-O 3.58Å; N48-L74 VanDerWaalsContact CA-O 3.26Å; N48-L74 WeakPolarHBondContact CA-O 3.35Å; M49-L74 HydrophobicContact CB-CB 4.4Å; M49-L74 PolarHBondContact N-O 3.24Å; M49-L74 PolarHBondContact O-N 3.13Å; I72-L74 HydrophobicContact CD1-CB 4.48Å; L74-I79 HydrophobicContact CD2-CD1 4Å; L74-I79 HydrophobicContact CD2-CG1 4.18Å; L74-I79 HydrophobicContact CG-CD1 4.45Å
75N94.6Very high95.1Very high75 Ų7580.2 Ų80.240%0.40142%0.423SS..PPolyproline II helixtrans-76.9123.2177.9-171.8-59.7000111.5N48 N77N48-N75 WeakPolarHBondContact OD1-CA 3.41Å; N75-N77 VanDerWaalsContact C-N 3.28Å; N75-N77 PolarHBondContact O-N 2.96Å; N75-N77 WeakPolarHBondContact OD1-CB 3.49Å; N75-N77 PolarHBondContact OD1-N 3.01Å; N75-N77 PolarHBondContact OD1-ND2 3.47Å
76G93.2Very high95Very high12 Ų1273.5 Ų73.512%0.12440%0.402CS..G310 helixtrans-65.3-23.2-176.700000115.1V47 N48 N78 I79V47-G76 VanDerWaalsContact O-CA 3.24Å; V47-G76 WeakPolarHBondContact O-CA 3.46Å; N48-G76 PolarHBondContact OD1-N 3Å; G76-N78 PolarHBondContact O-N 3.47Å; G76-N78 VanDerWaalsContact O-N 3.13Å; G76-I79 PolarHBondContact O-N 2.69Å
77N94.3Very high94.5Very high117 Ų11777.5 Ų77.563%0.62642%0.418SS*.G310 helixtrans-63.8-24.7-176.1-66.7-47.1000113.8K31 N75K31-N77 PolarHBondContact NZ-O 3.28Å; N75-N77 VanDerWaalsContact C-N 3.28Å; N75-N77 PolarHBondContact O-N 2.96Å; N75-N77 WeakPolarHBondContact OD1-CB 3.49Å; N75-N77 PolarHBondContact OD1-N 3.01Å; N75-N77 PolarHBondContact OD1-ND2 3.47Å
78N92.4Very high94Very high63 Ų6376.5 Ų76.534%0.33742%0.416SS..G310 helixtrans-101.1-4.4-176.9-67.2-34000113.3M30 K31 G76M30-N78 CarbonylContact C-O 3.56Å; M30-N78 VanDerWaalsContact CA-O 3.28Å; M30-N78 WeakPolarHBondContact CA-O 3.47Å; M30-N78 HydrophobicContact CE-CB 3.77Å; M30-N78 HydrophobicContact SD-CB 4.03Å; K31-N78 PolarHBondContact N-O 2.81Å; G76-N78 PolarHBondContact O-N 3.47Å; G76-N78 VanDerWaalsContact O-N 3.13Å
79I95.2Very high93.4Very high26 Ų2670.3 Ų70.313%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-70.7131.4176.9-62.6-179000109I28 M30 V47 M49 L74 G76 L82I28-I79 HydrophobicContact CG2-CB 4.44Å; I28-I79 HydrophobicContact CG2-CD1 4.21Å; I28-I79 HydrophobicContact CG2-CG1 3.94Å; I28-I79 HydrophobicContact CG2-CG2 3.96Å; M30-I79 HydrophobicContact SD-CG1 4.46Å; V47-I79 HydrophobicContact CG1-CD1 4.36Å; V47-I79 WeakPolarHBondContact O-CD1 3.35Å; M49-I79 HydrophobicContact CE-CD1 4.34Å; M49-I79 HydrophobicContact CG-CD1 4.24Å; M49-I79 HydrophobicContact SD-CD1 4.22Å; L74-I79 HydrophobicContact CD2-CD1 4Å; L74-I79 HydrophobicContact CD2-CG1 4.18Å; L74-I79 HydrophobicContact CG-CD1 4.45Å; G76-I79 PolarHBondContact O-N 2.69Å; I79-L82 HydrophobicContact CG2-CD2 3.84Å; I79-L82 HydrophobicContact CG2-CG 4.02Å
80T95.6Very high92.1Very high79 Ų7976.5 Ų76.549%0.48542%0.42SS..EExtended strand (participates in β ladder)trans-111.4-44.3177.4-55.20000111.1V29 K31V29-T80 WeakPolarHBondContact O-CA 3.47Å; V29-T80 WeakPolarHBondContact O-CB 3.35Å; V29-T80 PolarHBondContact O-N 2.95Å; K31-T80 WeakPolarHBondContact CG-OG1 3.49Å; K31-T80 PolarHBondContact N-OG1 2.95Å
81M95.2Very high90.3Very high107 Ų10778.9 Ų78.953%0.52744%0.439SS..EExtended strand (participates in β ladder)trans-141.6151.7178.5-66.2-178.1-74.500111.8I28 V29I28-M81 WeakPolarHBondContact CA-O 3.29Å; V29-M81 HydrophobicContact CB-CB 4.16Å; V29-M81 HydrophobicContact CB-CE 4.21Å; V29-M81 HydrophobicContact CG1-CE 4.14Å; V29-M81 HydrophobicContact CG2-CB 4.34Å; V29-M81 HydrophobicContact CG2-CE 4.25Å; V29-M81 PolarHBondContact N-O 3.36Å; V29-M81 PolarHBondContact O-N 2.75Å
82L95.9Very high90Very high51 Ų5176.5 Ų76.527%0.26743%0.432SS..EExtended strand (participates in β ladder)trans-126.1123.8177.2-63.5169.7000108.3V18 I26 I28 V47 M49 I79V18-L82 HydrophobicContact CG2-CD1 3.7Å; I26-L82 HydrophobicContact CD1-CB 4.24Å; I26-L82 HydrophobicContact CD1-CD2 4.07Å; I28-L82 HydrophobicContact CB-CD2 4.26Å; I28-L82 HydrophobicContact CD1-CD2 3.89Å; I28-L82 HydrophobicContact CG1-CD2 3.7Å; I28-L82 HydrophobicContact CG2-CD2 3.94Å; V47-L82 HydrophobicContact CG1-CD1 4.33Å; M49-L82 HydrophobicContact CE-CD1 3.43Å; M49-L82 VanDerWaalsContact CE-CD1 3.43Å; M49-L82 HydrophobicContact CE-CD2 3.44Å; M49-L82 VanDerWaalsContact CE-CD2 3.44Å; M49-L82 HydrophobicContact CE-CG 4.08Å; M49-L82 HydrophobicContact SD-CD2 3.88Å; I79-L82 HydrophobicContact CG2-CD2 3.84Å; I79-L82 HydrophobicContact CG2-CG 4.02Å
83I96.1Very high89.5Confident69 Ų6978.7 Ų78.735%0.35445%0.445SS..EExtended strand (participates in β ladder)trans-121.8100.2-175.6-57.8165.5000108H27 V29 G85 G86H27-I83 HydrophobicContact CB-CB 4.09Å; H27-I83 PolarHBondContact N-O 2.83Å; H27-I83 PolarHBondContact O-N 3.02Å; V29-I83 HydrophobicContact CG2-CD1 4.26Å; I83-G85 PolarHBondContact O-N 3.28Å; I83-G86 PolarHBondContact O-N 2.91Å
84P95.2Very high89.1Confident64 Ų6475.8 Ų75.842%0.41643%0.432SS..EExtended strand (participates in β ladder)trans-59132.3174.8-2536.2000111.6L17 C21 G86L17-P84 HydrophobicContact CD1-CG 4.39Å; L17-P84 HydrophobicContact CG-CG 4.45Å; C21-P84 WeakPolarHBondContact SG-CB 3.48Å; C21-P84 WeakPolarHBondContact SG-CG 3.47Å; P84-G86 PolarHBondContact O-N 3.3Å
85G91.3Very high88.7Confident54 Ų5479.5 Ų79.556%0.55745%0.453SS*.THydrogen-bonded Turntrans70.86.2178.900000115.2R25 I83R25-G85 VanDerWaalsContact O-CA 3.3Å; R25-G85 WeakPolarHBondContact O-CA 3.33Å; R25-G85 PolarHBondContact O-N 2.75Å; I83-G85 PolarHBondContact O-N 3.28Å
86G87.9Confident88.3Confident13 Ų1379.8 Ų79.813%0.13446%0.456CS..  trans-67.5139.4179.900000112.6I83 P84I83-G86 PolarHBondContact O-N 2.91Å; P84-G86 PolarHBondContact O-N 3.3Å
87E85.1Confident88Confident177 Ų17784.3 Ų84.383%0.82748%0.479SS*.  trans-92.9-1.6179.5-59.2-168.1156.500113.1
88G84.2Confident87.6Confident18 Ų1881.9 Ų81.919%0.18647%0.468CS..  trans95.1-177.5-173.200000112.4V37 E90V37-G88 VanDerWaalsContact CG2-CA 3.46Å; G88-E90 PolarHBondContact O-N 3.27Å
89P83.1Confident87.2Confident40 Ų4083.4 Ų83.426%0.2648%0.478SS..SBendtrans-66.3126.9177.9-0.14.2000110.8E35 R64 V91E35-P89 WeakPolarHBondContact OE2-CG 3.45Å; R64-P89 PolarHBondContact NH1-O 3.11Å; R64-P89 VanDerWaalsContact NH2-CD 3.27Å; R64-P89 PolarHBondContact NH2-O 3.02Å; P89-V91 PolarHBondContact O-N 3.37Å
90E70.4Confident86.5Confident192 Ų19288.2 Ų88.290%0.89751%0.507SS*.  trans-54.3135.1167.4-67.3-171.8153.700109G88G88-E90 PolarHBondContact O-N 3.27Å
91V58Low85.7Confident194 Ų19489 Ų89100%1.17651%0.509SS*.  trans-69.20179.5-98.40000112.1P89P89-V91 PolarHBondContact O-N 3.37Å

Retrieved 91 of 91 residues in 26.1 ms (Link to these results)