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U6 snRNA-associated Sm-like protein LSm6

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome. 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. Component of LSm protein complexes, which are involved in RNA processing and may function in a chaperone-like manner, facilitating the efficient association of RNA processing factors with their substrates. Component of the cytoplasmic LSM1-LSM7 complex, which is thought to be involved in mRNA degradation by activating the decapping step in the 5'-to-3' mRNA decay pathway.

AlphaFold DB , UniProt , Accession A0A077ZP00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 79 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
1M45.4Very low79.6Confident242 Ų242116.8 Ų116.8100%1.19259%0.594SS**  0123.30-77-176-177.100108.5R3M1-R3 PolarHBondContact O-N 3.03Å
2G61.4Low80.5Confident77 Ų77120.4 Ų120.479%0.79460%0.603SS**PPolyproline II helixtrans-63.9126173.200000109.7R4G2-R4 PolarHBondContact O-N 2.74Å; G2-R4 VanDerWaalsContact O-N 3.14Å
3R69.4Low81.4Confident228 Ų228119.3 Ų119.386%0.8659%0.594SS**PPolyproline II helixtrans-59.1117.7-179.6-164.5174.1179.1151.2-0.4108.3M1 Q5M1-R3 PolarHBondContact O-N 3.03Å; R3-Q5 PolarHBondContact O-N 2.85Å; R3-Q5 VanDerWaalsContact O-N 3.15Å
4R76.1Confident82.4Confident239 Ų239111.1 Ų111.190%0.90255%0.554SS**PPolyproline II helixtrans-62.6116.5175.6-94.9-178174.5146.2-2108.1G2G2-R4 PolarHBondContact O-N 2.74Å; G2-R4 VanDerWaalsContact O-N 3.14Å
5Q84.7Confident83.2Confident91 Ų91109.4 Ų109.443%0.42555%0.546SS..PPolyproline II helixtrans-77.9129.2175.3-171.2173.813.300109.3R3 E9 F10R3-Q5 PolarHBondContact O-N 2.85Å; R3-Q5 VanDerWaalsContact O-N 3.15Å; Q5-E9 HydrophobicContact CG-CB 3.81Å; Q5-F10 HydrophobicContact CG-CB 4.38Å
6T89.4Confident84.1Confident66 Ų66105.9 Ų105.941%0.40555%0.546SS..PPolyproline II helixtrans-75.7155.317362.10000110.5S8 E9 F10T6-S8 PolarHBondContact O-N 2.77Å; T6-E9 PolarHBondContact N-OE2 2.88Å; T6-E9 PolarHBondContact O-N 3.08Å; T6-E9 VanDerWaalsContact O-N 3.11Å; T6-E9 WeakPolarHBondContact OG1-CB 3.27Å; T6-E9 VanDerWaalsContact OG1-CD 3.27Å; T6-E9 WeakPolarHBondContact OG1-CG 3.48Å; T6-E9 PolarHBondContact OG1-N 3.45Å; T6-E9 PolarHBondContact OG1-OE2 2.61Å; T6-F10 PolarHBondContact O-N 3.18Å
7P88.2Confident84.9Confident100 Ų100106.1 Ų106.165%0.64954%0.542SS*.Hα-helixtrans-53.3-42.6173.2-27.635.7000112.4E9 F10 L11P7-E9 VanDerWaalsContact C-N 3.34Å; P7-E9 PolarHBondContact O-N 2.8Å; P7-F10 WeakPolarHBondContact O-CB 3.33Å; P7-F10 PolarHBondContact O-N 2.91Å; P7-F10 VanDerWaalsContact O-N 3.16Å; P7-L11 WeakPolarHBondContact O-CB 3.22Å; P7-L11 VanDerWaalsContact O-CG 3.23Å; P7-L11 WeakPolarHBondContact O-CG 3.43Å; P7-L11 PolarHBondContact O-N 3.25Å
8S87.5Confident85.6Confident76 Ų76103.6 Ų103.653%0.53153%0.533SS..Hα-helixtrans-63.1-37.4178.5-51.80000113.1T6 K12T6-S8 PolarHBondContact O-N 2.77Å; S8-K12 WeakPolarHBondContact O-CG 3.43Å; S8-K12 PolarHBondContact O-N 2.85Å; S8-K12 VanDerWaalsContact O-N 3.11Å
9E91.9Very high86.2Confident76 Ų7698.1 Ų98.136%0.35551%0.505SS..Hα-helixtrans-69-38.8173.5-74.1165.7147.500111.8Q5 T6 P7 Q13Q5-E9 HydrophobicContact CG-CB 3.81Å; T6-E9 PolarHBondContact N-OE2 2.88Å; T6-E9 PolarHBondContact O-N 3.08Å; T6-E9 VanDerWaalsContact O-N 3.11Å; T6-E9 WeakPolarHBondContact OG1-CB 3.27Å; T6-E9 VanDerWaalsContact OG1-CD 3.27Å; T6-E9 WeakPolarHBondContact OG1-CG 3.48Å; T6-E9 PolarHBondContact OG1-N 3.45Å; T6-E9 PolarHBondContact OG1-OE2 2.61Å; P7-E9 VanDerWaalsContact C-N 3.34Å; P7-E9 PolarHBondContact O-N 2.8Å; E9-Q13 WeakPolarHBondContact O-CG 3.3Å; E9-Q13 PolarHBondContact O-N 3.26Å
10F91.3Very high86.7Confident60 Ų6094.2 Ų94.226%0.26349%0.486SS..Hα-helixtrans-60.1-49.8174.1170.2-103.4000111.2Q5 T6 P7 K12 Q13 I14 I72Q5-F10 HydrophobicContact CG-CB 4.38Å; T6-F10 PolarHBondContact O-N 3.18Å; P7-F10 WeakPolarHBondContact O-CB 3.33Å; P7-F10 PolarHBondContact O-N 2.91Å; P7-F10 VanDerWaalsContact O-N 3.16Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.16Å; F10-Q13 WeakPolarHBondContact O-CB 3.19Å; F10-Q13 PolarHBondContact O-N 2.61Å; F10-I14 HydrophobicContact CD1-CD1 4.31Å; F10-I14 HydrophobicContact CD2-CG2 4.39Å; F10-I14 HydrophobicContact CE1-CD1 3.68Å; F10-I14 HydrophobicContact CE1-CG1 4.47Å; F10-I14 HydrophobicContact CE2-CG2 3.83Å; F10-I14 HydrophobicContact CZ-CD1 3.96Å; F10-I14 HydrophobicContact CZ-CG2 3.91Å; F10-I14 PolarHBondContact O-N 2.87Å; F10-I72 HydrophobicContact CE1-CG2 4.38Å
11L90.3Very high87.3Confident30 Ų3089.7 Ų89.716%0.15746%0.463CS..Hα-helixtrans-56.3-47.2178.6-73.9174.3000112P7 Q13 I14 I15 L36 L40 I72P7-L11 WeakPolarHBondContact O-CB 3.22Å; P7-L11 VanDerWaalsContact O-CG 3.23Å; P7-L11 WeakPolarHBondContact O-CG 3.43Å; P7-L11 PolarHBondContact O-N 3.25Å; L11-Q13 PolarHBondContact O-N 3.34Å; L11-I14 HydrophobicContact CD2-CD1 4.25Å; L11-I14 WeakPolarHBondContact O-CG1 3.45Å; L11-I14 PolarHBondContact O-N 2.87Å; L11-I15 PolarHBondContact O-N 2.91Å; L11-L36 HydrophobicContact CB-CD2 4Å; L11-L36 HydrophobicContact CD1-CD1 3.77Å; L11-L36 HydrophobicContact CD1-CD2 4.44Å; L11-L36 HydrophobicContact CD2-CD1 3.58Å; L11-L36 HydrophobicContact CD2-CD2 3.79Å; L11-L36 HydrophobicContact CD2-CG 4.32Å; L11-L36 HydrophobicContact CG-CD1 4.18Å; L11-L36 HydrophobicContact CG-CD2 4.26Å; L11-L40 HydrophobicContact CD1-CD2 4.37Å; L11-I72 HydrophobicContact CD2-CG2 4.32Å
12K90.1Very high89.7Confident160 Ų16080.1 Ų80.170%0.69641%0.414SS*.Hα-helixtrans-59.1-32.6175.2-74.3177-178.4-176.80113.2S8 F10S8-K12 WeakPolarHBondContact O-CG 3.43Å; S8-K12 PolarHBondContact O-N 2.85Å; S8-K12 VanDerWaalsContact O-N 3.11Å; F10-K12 VanDerWaalsContact C-N 3.35Å; F10-K12 PolarHBondContact O-N 3.16Å
13Q92.7Very high91.5Very high106 Ų10677.4 Ų77.450%0.49538%0.382SS..Hα-helixtrans-76.9-20.3-178.7-75.4177.513.200114.1E9 F10 L11 K17E9-Q13 WeakPolarHBondContact O-CG 3.3Å; E9-Q13 PolarHBondContact O-N 3.26Å; F10-Q13 WeakPolarHBondContact O-CB 3.19Å; F10-Q13 PolarHBondContact O-N 2.61Å; L11-Q13 PolarHBondContact O-N 3.34Å; Q13-K17 VanDerWaalsContact O-CD 3.28Å; Q13-K17 WeakPolarHBondContact O-CD 3.45Å; Q13-K17 WeakPolarHBondContact O-CE 3.43Å; Q13-K17 PolarHBondContact O-NZ 2.98Å
14I94.7Very high92.8Very high5 Ų571.2 Ų71.23%0.02637%0.366CS..Hα-helixtrans-100.8-7.9-176.859.1164.2000113.5F10 L11 G16 K17 V19 L33 I72 A74F10-I14 HydrophobicContact CD1-CD1 4.31Å; F10-I14 HydrophobicContact CD2-CG2 4.39Å; F10-I14 HydrophobicContact CE1-CD1 3.68Å; F10-I14 HydrophobicContact CE1-CG1 4.47Å; F10-I14 HydrophobicContact CE2-CG2 3.83Å; F10-I14 HydrophobicContact CZ-CD1 3.96Å; F10-I14 HydrophobicContact CZ-CG2 3.91Å; F10-I14 PolarHBondContact O-N 2.87Å; L11-I14 HydrophobicContact CD2-CD1 4.25Å; L11-I14 WeakPolarHBondContact O-CG1 3.45Å; L11-I14 PolarHBondContact O-N 2.87Å; I14-G16 PolarHBondContact O-N 2.78Å; I14-K17 WeakPolarHBondContact O-CB 3.36Å; I14-K17 PolarHBondContact O-N 3.34Å; I14-V19 HydrophobicContact CB-CG1 4.06Å; I14-V19 HydrophobicContact CD1-CG1 4.08Å; I14-L33 HydrophobicContact CB-CD2 4.36Å; I14-L33 HydrophobicContact CD1-CD2 3.79Å; I14-L33 HydrophobicContact CG1-CD2 3.64Å; I14-I72 HydrophobicContact CD1-CD1 3.59Å; I14-I72 HydrophobicContact CD1-CG1 3.91Å; I14-A74 HydrophobicContact CG2-CB 3.95Å
15I95.7Very high93.7Very high85 Ų8565.5 Ų65.544%0.43635%0.353SS..THydrogen-bonded Turntrans-58.5135.5171.8-66.1169.7000109.5L11 K17 L33L11-I15 PolarHBondContact O-N 2.91Å; I15-K17 PolarHBondContact O-N 2.83Å; I15-L33 HydrophobicContact CG1-CD2 4.09Å
16G96.9Very high94.3Very high53 Ų5362.9 Ų62.955%0.54635%0.35SS..THydrogen-bonded Turntrans71.79.7-176.100000114.4I14 L33I14-G16 PolarHBondContact O-N 2.78Å; G16-L33 WeakPolarHBondContact CA-O 3.31Å; G16-L33 PolarHBondContact N-O 2.82Å
17K97Very high94.7Very high110 Ų11060.3 Ų60.348%0.47834%0.335SS..SBendtrans-115.9157.4-178-60.7-174.2-175163.40112.1Q13 I14 I15 V19 L33Q13-K17 VanDerWaalsContact O-CD 3.28Å; Q13-K17 WeakPolarHBondContact O-CD 3.45Å; Q13-K17 WeakPolarHBondContact O-CE 3.43Å; Q13-K17 PolarHBondContact O-NZ 2.98Å; I14-K17 WeakPolarHBondContact O-CB 3.36Å; I14-K17 PolarHBondContact O-N 3.34Å; I15-K17 PolarHBondContact O-N 2.83Å; K17-V19 PolarHBondContact O-N 3.24Å; K17-L33 PolarHBondContact O-N 2.89Å
18P97.4Very high95.1Very high60 Ų6056.6 Ų56.639%0.3931%0.31SS..EExtended strand (participates in β ladder)trans-61.3128.1170.5-19.830.7000111.7G31 I32 Q75P18-G31 CarbonylContact C-O 3.58Å; P18-G31 WeakPolarHBondContact CA-O 3.43Å; P18-I32 HydrophobicContact CB-CD1 4.11Å; P18-I32 HydrophobicContact CG-CD1 3.65Å; P18-Q75 HydrophobicContact CB-CB 3.95Å; P18-Q75 WeakPolarHBondContact O-CB 3.22Å; P18-Q75 PolarHBondContact O-N 2.75Å
19V97.5Very high95.6Very high0 Ų055 Ų550%029%0.292CS..EExtended strand (participates in β ladder)trans-129.8160.6-179.6-64.60000111.1I14 K17 V21 R30 G31 L33 M44 I72 S73I14-V19 HydrophobicContact CB-CG1 4.06Å; I14-V19 HydrophobicContact CD1-CG1 4.08Å; K17-V19 PolarHBondContact O-N 3.24Å; V19-V21 HydrophobicContact CG2-CG2 4.37Å; V19-R30 WeakPolarHBondContact O-CA 3.33Å; V19-G31 PolarHBondContact N-O 2.87Å; V19-G31 PolarHBondContact O-N 2.9Å; V19-L33 HydrophobicContact CG1-CB 3.95Å; V19-L33 HydrophobicContact CG2-CB 3.93Å; V19-M44 HydrophobicContact CG2-CE 4.28Å; V19-M44 HydrophobicContact CG2-SD 4.3Å; V19-I72 HydrophobicContact CB-CD1 4.36Å; V19-I72 HydrophobicContact CB-CG1 4.31Å; V19-I72 HydrophobicContact CG1-CD1 4.37Å; V19-I72 HydrophobicContact CG2-CD1 4.4Å; V19-S73 CarbonylContact C-O 3.59Å; V19-S73 VanDerWaalsContact CA-O 3.3Å; V19-S73 WeakPolarHBondContact CA-O 3.43Å; V19-S73 WeakPolarHBondContact CB-O 3.38Å
20V97.4Very high95.9Very high19 Ų1954.3 Ų54.312%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-117.5125.1166-175.50000108.1D28 Y29 R30 I72 S73 Q75V20-D28 HydrophobicContact CG1-CB 4.34Å; V20-Y29 CarbonylContact C-O 3.6Å; V20-Y29 WeakPolarHBondContact CA-O 3.49Å; V20-R30 HydrophobicContact CG1-CG 4.33Å; V20-R30 HydrophobicContact CG2-CG 4.12Å; V20-I72 CarbonylContact O-C 3.54Å; V20-I72 WeakPolarHBondContact O-CA 3.41Å; V20-S73 PolarHBondContact N-O 2.92Å; V20-S73 PolarHBondContact O-N 2.89Å; V20-S73 PolarHBondContact O-OG 2.99Å; V20-Q75 HydrophobicContact CG2-CB 4.25Å; V20-Q75 HydrophobicContact CG2-CG 4.12Å
21V97.4Very high96.2Very high0 Ų051.9 Ų51.90%028%0.278CS..EExtended strand (participates in β ladder)trans-111.7112.7174.4-1800000107.8V19 L23 Y29 I42 M44 I64 V69 Y71 I72V19-V21 HydrophobicContact CG2-CG2 4.37Å; V21-L23 HydrophobicContact CG1-CD2 4.21Å; V21-Y29 PolarHBondContact N-O 3.37Å; V21-Y29 PolarHBondContact O-N 2.8Å; V21-I42 HydrophobicContact CB-CD1 4.48Å; V21-I42 HydrophobicContact CG1-CD1 3.8Å; V21-I42 HydrophobicContact CG2-CD1 3.77Å; V21-M44 HydrophobicContact CB-SD 4.39Å; V21-M44 HydrophobicContact CG2-SD 3.67Å; V21-I64 HydrophobicContact CB-CD1 4.27Å; V21-I64 HydrophobicContact CG1-CD1 4.04Å; V21-V69 HydrophobicContact CG1-CG1 3.95Å; V21-V69 HydrophobicContact CG1-CG2 3.97Å; V21-Y71 WeakPolarHBondContact CA-O 3.39Å; V21-I72 HydrophobicContact CG2-CB 4.42Å; V21-I72 HydrophobicContact CG2-CD1 4.1Å; V21-I72 HydrophobicContact CG2-CG1 4.06Å
22K97.5Very high96.6Very high41 Ų4152.1 Ų52.118%0.17828%0.279CS..EExtended strand (participates in β ladder)trans-92.4130.3173.6-176.7171.3-72-66.80109.2G26 D28 L70 Y71K22-G26 PolarHBondContact NZ-O 3.03Å; K22-D28 WeakPolarHBondContact CB-OD1 3.16Å; K22-D28 WeakPolarHBondContact CE-OD1 3.38Å; K22-D28 WeakPolarHBondContact CG-OD1 3.46Å; K22-D28 IonicContact NZ-OD1 2.62Å; K22-D28 PolarHBondContact NZ-OD1 2.81Å; K22-D28 IonicContact NZ-OD2 3.07Å; K22-D28 PolarHBondContact NZ-OD2 2.89Å; K22-L70 HydrophobicContact CD-CD2 4.03Å; K22-L70 HydrophobicContact CG-CD2 4.29Å; K22-L70 WeakPolarHBondContact O-CB 3.45Å; K22-L70 PolarHBondContact O-N 3.07Å; K22-Y71 HydrophobicContact CB-CD1 4.01Å; K22-Y71 HydrophobicContact CB-CD2 4.34Å; K22-Y71 HydrophobicContact CB-CE1 3.65Å; K22-Y71 HydrophobicContact CB-CE2 3.97Å; K22-Y71 HydrophobicContact CB-CG 4.35Å; K22-Y71 HydrophobicContact CD-CD1 4.45Å; K22-Y71 HydrophobicContact CD-CE1 3.63Å; K22-Y71 WeakPolarHBondContact CE-OH 3.17Å; K22-Y71 HydrophobicContact CG-CE1 4.16Å; K22-Y71 PolarHBondContact N-O 3.27Å; K22-Y71 PolarHBondContact O-N 2.76Å
23L97.7Very high97Very high21 Ų2144.5 Ų44.511%0.1125%0.246CC..EExtended strand (participates in β ladder)trans-87.7162.1173.4-58.5-165.8000111.7V21 N25 G26 T27 Y29 I64 N68 V69V21-L23 HydrophobicContact CG1-CD2 4.21Å; L23-N25 WeakPolarHBondContact CB-OD1 3.3Å; L23-N25 PolarHBondContact O-N 3.44Å; L23-N25 VanDerWaalsContact O-N 3.13Å; L23-G26 PolarHBondContact O-N 3.36Å; L23-T27 PolarHBondContact N-O 3.38Å; L23-Y29 HydrophobicContact CD1-CD2 3.98Å; L23-Y29 HydrophobicContact CD1-CE2 3.45Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.45Å; L23-Y29 HydrophobicContact CD2-CD2 4.44Å; L23-Y29 HydrophobicContact CG-CD2 3.91Å; L23-Y29 HydrophobicContact CG-CE2 3.89Å; L23-I64 HydrophobicContact CD2-CG2 3.73Å; L23-N68 CarbonylContact C-O 3.59Å; L23-N68 VanDerWaalsContact CA-O 3.24Å; L23-N68 WeakPolarHBondContact CA-O 3.23Å; L23-N68 HydrophobicContact CD2-CB 4.36Å; L23-V69 HydrophobicContact CD2-CG2 4.35Å
24N97.2Very high97.2Very high97 Ų9741.2 Ų41.252%0.51924%0.237SC..THydrogen-bonded Turntrans-58.4-25.1179.4-68.6-32.3000114G26 N67 N68N24-G26 VanDerWaalsContact C-N 3.28Å; N24-N67 PolarHBondContact ND2-O 2.98Å; N24-N68 PolarHBondContact N-O 3.2Å; N24-N68 PolarHBondContact ND2-O 3.11Å
25N96.1Very high97.2Very high119 Ų11944.3 Ų44.364%0.63626%0.258SS*.THydrogen-bonded Turntrans-83.80.6176.869.9-10.1000113.6L23 T27L23-N25 WeakPolarHBondContact CB-OD1 3.3Å; L23-N25 PolarHBondContact O-N 3.44Å; L23-N25 VanDerWaalsContact O-N 3.13Å; N25-T27 PolarHBondContact ND2-OG1 2.97Å; N25-T27 WeakPolarHBondContact OD1-CB 3.39Å; N25-T27 PolarHBondContact OD1-N 2.83Å; N25-T27 PolarHBondContact OD1-OG1 2.95Å
26G96.3Very high97.1Very high36 Ų3642 Ų4237%0.37125%0.247SC..SBendtrans92.7-11.318000000115.4K22 L23 N24K22-G26 PolarHBondContact NZ-O 3.03Å; L23-G26 PolarHBondContact O-N 3.36Å; N24-G26 VanDerWaalsContact C-N 3.28Å
27T97.7Very high96.8Very high13 Ų1342.7 Ų42.78%0.0824%0.238CC..  trans-63.8137.8175.9-55.60000110.9L23 N25 Y29 E49L23-T27 PolarHBondContact N-O 3.38Å; N25-T27 PolarHBondContact ND2-OG1 2.97Å; N25-T27 WeakPolarHBondContact OD1-CB 3.39Å; N25-T27 PolarHBondContact OD1-N 2.83Å; N25-T27 PolarHBondContact OD1-OG1 2.95Å; T27-Y29 HydrophobicContact CG2-CD2 4.17Å; T27-Y29 HydrophobicContact CG2-CE2 3.63Å; T27-E49 HydrophobicContact CG2-CG 3.51Å
28D97.4Very high96.3Very high22 Ų2241.3 Ų41.312%0.11825%0.254CS..EExtended strand (participates in β ladder)trans-105.8127.2175.8-69.5-35.2000110.6V20 K22 Y50V20-D28 HydrophobicContact CG1-CB 4.34Å; K22-D28 WeakPolarHBondContact CB-OD1 3.16Å; K22-D28 WeakPolarHBondContact CE-OD1 3.38Å; K22-D28 WeakPolarHBondContact CG-OD1 3.46Å; K22-D28 IonicContact NZ-OD1 2.62Å; K22-D28 PolarHBondContact NZ-OD1 2.81Å; K22-D28 IonicContact NZ-OD2 3.07Å; K22-D28 PolarHBondContact NZ-OD2 2.89Å; D28-Y50 PolarHBondContact N-O 2.8Å; D28-Y50 PolarHBondContact O-N 3.22Å
29Y98.2Very high96Very high41 Ų4147.6 Ų47.616%0.16127%0.271CS..EExtended strand (participates in β ladder)trans-102.9132.7167.3-72.8-94.4000109.3V20 V21 L23 T27 T47 E48 E49 Y59 I64V20-Y29 CarbonylContact C-O 3.6Å; V20-Y29 WeakPolarHBondContact CA-O 3.49Å; V21-Y29 PolarHBondContact N-O 3.37Å; V21-Y29 PolarHBondContact O-N 2.8Å; L23-Y29 HydrophobicContact CD1-CD2 3.98Å; L23-Y29 HydrophobicContact CD1-CE2 3.45Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.45Å; L23-Y29 HydrophobicContact CD2-CD2 4.44Å; L23-Y29 HydrophobicContact CG-CD2 3.91Å; L23-Y29 HydrophobicContact CG-CE2 3.89Å; T27-Y29 HydrophobicContact CG2-CD2 4.17Å; T27-Y29 HydrophobicContact CG2-CE2 3.63Å; Y29-T47 HydrophobicContact CD1-CG2 3.64Å; Y29-T47 HydrophobicContact CE1-CG2 4.5Å; Y29-T47 HydrophobicContact CG-CG2 4.49Å; Y29-E48 CarbonylContact C-O 3.41Å; Y29-E48 WeakPolarHBondContact CA-O 3.36Å; Y29-E49 HydrophobicContact CD1-CB 4.36Å; Y29-E49 HydrophobicContact CE1-CB 4.01Å; Y29-E49 HydrophobicContact CE1-CG 4.2Å; Y29-Y59 HydrophobicContact CE1-CD2 4.01Å; Y29-Y59 AromaticContact CE1-CE2 3.77Å; Y29-Y59 HydrophobicContact CE1-CE2 3.77Å; Y29-I64 HydrophobicContact CD1-CD1 4.39Å; Y29-I64 HydrophobicContact CD2-CD1 4.23Å; Y29-I64 HydrophobicContact CG-CD1 3.89Å
30R97.8Very high95.6Very high63 Ų6351.3 Ų51.324%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-124.4139.4177.9-52.2-172.7-172.2158.81.3109.1V19 V20 M44 T47 E48 Y50V19-R30 WeakPolarHBondContact O-CA 3.33Å; V20-R30 HydrophobicContact CG1-CG 4.33Å; V20-R30 HydrophobicContact CG2-CG 4.12Å; R30-M44 VanDerWaalsContact C-CE 3.43Å; R30-T47 CarbonylContact O-C 3.57Å; R30-T47 VanDerWaalsContact O-CA 3.31Å; R30-T47 WeakPolarHBondContact O-CA 3.34Å; R30-E48 PolarHBondContact N-O 2.86Å; R30-E48 PolarHBondContact O-N 3.24Å; R30-Y50 HydrophobicContact CB-CD2 4.37Å; R30-Y50 HydrophobicContact CB-CE2 4.07Å; R30-Y50 VanDerWaalsContact CD-CE2 3.47Å; R30-Y50 HydrophobicContact CG-CD2 3.76Å; R30-Y50 HydrophobicContact CG-CE2 3.82Å; R30-Y50 VanDerWaalsContact NH1-CE1 3.27Å
31G97.8Very high95.6Very high8 Ų852 Ų528%0.08229%0.294CS..EExtended strand (participates in β ladder)trans169.9-171.8-177.400000111.4P18 V19 M44 E45P18-G31 CarbonylContact C-O 3.58Å; P18-G31 WeakPolarHBondContact CA-O 3.43Å; V19-G31 PolarHBondContact N-O 2.87Å; V19-G31 PolarHBondContact O-N 2.9Å; G31-M44 VanDerWaalsContact CA-CE 3.43Å; G31-E45 WeakPolarHBondContact CA-O 3.34Å
32I97.9Very high95.6Very high35 Ų3552 Ų5218%0.17929%0.294CS..EExtended strand (participates in β ladder)trans-90.4126.9177.7-52.2-56.1000109P18 A34 M44 E45P18-I32 HydrophobicContact CB-CD1 4.11Å; P18-I32 HydrophobicContact CG-CD1 3.65Å; I32-A34 PolarHBondContact O-N 3.09Å; I32-M44 CarbonylContact O-C 3.56Å; I32-M44 WeakPolarHBondContact O-CA 3.2Å; I32-E45 HydrophobicContact CB-CB 4.33Å; I32-E45 PolarHBondContact N-O 3.39Å; I32-E45 PolarHBondContact O-N 3.18Å
33L97.9Very high95.6Very high0 Ų051.3 Ų51.30%030%0.296CS..EExtended strand (participates in β ladder)trans-71109.6175.2178.163.1000110.1I14 I15 G16 K17 V19 C35 L36 I42 I72I14-L33 HydrophobicContact CB-CD2 4.36Å; I14-L33 HydrophobicContact CD1-CD2 3.79Å; I14-L33 HydrophobicContact CG1-CD2 3.64Å; I15-L33 HydrophobicContact CG1-CD2 4.09Å; G16-L33 WeakPolarHBondContact CA-O 3.31Å; G16-L33 PolarHBondContact N-O 2.82Å; K17-L33 PolarHBondContact O-N 2.89Å; V19-L33 HydrophobicContact CG1-CB 3.95Å; V19-L33 HydrophobicContact CG2-CB 3.93Å; L33-C35 WeakPolarHBondContact CD1-O 3.47Å; L33-L36 HydrophobicContact CD2-CD2 4.2Å; L33-I42 HydrophobicContact CD1-CG2 3.36Å; L33-I72 HydrophobicContact CD1-CD1 4.45Å; L33-I72 HydrophobicContact CD2-CD1 4.27Å
34A97.6Very high95.6Very high37 Ų3750.5 Ų50.531%0.30629%0.292SS..EExtended strand (participates in β ladder)trans-79.6-53.1176.100000110.8I32 A43 E45I32-A34 PolarHBondContact O-N 3.09Å; A34-A43 HydrophobicContact CB-CB 4.22Å; A34-A43 WeakPolarHBondContact CB-O 3.14Å; A34-A43 PolarHBondContact N-O 3.23Å; A34-E45 HydrophobicContact CB-CG 4.2Å
35C95.3Very high95.7Very high70 Ų7050.3 Ų50.347%0.47329%0.288SS..EExtended strand (participates in β ladder)trans-156.6164.3174.6670000111.6L33 A43L33-C35 WeakPolarHBondContact CD1-O 3.47Å; C35-A43 PolarHBondContact N-O 3.14Å; C35-A43 PolarHBondContact O-N 3.2Å; C35-A43 VanDerWaalsContact SG-CB 3.52Å
36L93.3Very high95.7Very high38 Ų3851.4 Ų51.420%0.19929%0.289CS..EExtended strand (participates in β ladder)trans-142.9163.2162.886.3142.7000111.1L11 L33 L40 N41L11-L36 HydrophobicContact CB-CD2 4Å; L11-L36 HydrophobicContact CD1-CD1 3.77Å; L11-L36 HydrophobicContact CD1-CD2 4.44Å; L11-L36 HydrophobicContact CD2-CD1 3.58Å; L11-L36 HydrophobicContact CD2-CD2 3.79Å; L11-L36 HydrophobicContact CD2-CG 4.32Å; L11-L36 HydrophobicContact CG-CD1 4.18Å; L11-L36 HydrophobicContact CG-CD2 4.26Å; L33-L36 HydrophobicContact CD2-CD2 4.2Å; L36-L40 HydrophobicContact CD1-CD2 3.6Å; L36-N41 WeakPolarHBondContact CA-O 3.49Å; L36-N41 VanDerWaalsContact CB-O 3.31Å; L36-N41 WeakPolarHBondContact CB-O 3.33Å
37D90.6Very high95.9Very high67 Ų6749.7 Ų49.736%0.35827%0.271SS..  trans-111.8-178.1175.571.312.7000113.3Y39 L40 N41D37-Y39 PolarHBondContact O-N 3.3Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.15Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.33Å; D37-Y39 PolarHBondContact OD1-N 3.19Å; D37-L40 PolarHBondContact O-N 3.24Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 PolarHBondContact OD1-N 2.99Å; D37-L40 VanDerWaalsContact OD1-N 3.07Å; D37-N41 PolarHBondContact N-O 3.25Å; D37-N41 PolarHBondContact OD1-N 2.77Å; D37-N41 PolarHBondContact OD1-ND2 3.05Å; D37-N41 WeakPolarHBondContact OD2-CB 3Å; D37-N41 PolarHBondContact OD2-ND2 2.92Å
38G86.6Confident95.9Very high80 Ų8051.2 Ų51.283%0.82528%0.277SS*.THydrogen-bonded Turntrans-68.4-8.517800000115
39Y90.7Very high95.9Very high192 Ų19251.7 Ų51.775%0.75328%0.279SS*.THydrogen-bonded Turntrans-102.66.8175.4-58.3-74.5000112.3D37 N41D37-Y39 PolarHBondContact O-N 3.3Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.15Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.33Å; D37-Y39 PolarHBondContact OD1-N 3.19Å; Y39-N41 PolarHBondContact O-N 3.27Å
40L90.5Very high95.9Very high78 Ų7851.4 Ų51.441%0.40828%0.278SS..  trans60.726.5-175.1-53.6176.1000113.4L11 L36 D37 I42 G66L11-L40 HydrophobicContact CD1-CD2 4.37Å; L36-L40 HydrophobicContact CD1-CD2 3.6Å; D37-L40 PolarHBondContact O-N 3.24Å; D37-L40 VanDerWaalsContact O-N 3.15Å; D37-L40 PolarHBondContact OD1-N 2.99Å; D37-L40 VanDerWaalsContact OD1-N 3.07Å; L40-I42 WeakPolarHBondContact O-CG1 3.44Å; L40-G66 VanDerWaalsContact C-CA 3.45Å; L40-G66 WeakPolarHBondContact O-CA 3.28Å
41N95.5Very high95.8Very high33 Ų3350.3 Ų50.318%0.17628%0.28CS..  trans-68.5136.6162.3-60.8-54.8000108.6L36 D37 Y39 F63 I64 R65 G66L36-N41 WeakPolarHBondContact CA-O 3.49Å; L36-N41 VanDerWaalsContact CB-O 3.31Å; L36-N41 WeakPolarHBondContact CB-O 3.33Å; D37-N41 PolarHBondContact N-O 3.25Å; D37-N41 PolarHBondContact OD1-N 2.77Å; D37-N41 PolarHBondContact OD1-ND2 3.05Å; D37-N41 WeakPolarHBondContact OD2-CB 3Å; D37-N41 PolarHBondContact OD2-ND2 2.92Å; Y39-N41 PolarHBondContact O-N 3.27Å; N41-F63 HydrophobicContact CB-CE2 3.88Å; N41-F63 HydrophobicContact CB-CZ 3.66Å; N41-I64 WeakPolarHBondContact CA-O 3.21Å; N41-R65 WeakPolarHBondContact OD1-CA 3.31Å; N41-G66 PolarHBondContact OD1-N 3.2Å
42I97.4Very high95.6Very high2 Ų258.7 Ų58.71%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-125.4124.4-168.1-45.3-178.4000109V21 L33 L40 M44 F63 I64 V69 I72V21-I42 HydrophobicContact CB-CD1 4.48Å; V21-I42 HydrophobicContact CG1-CD1 3.8Å; V21-I42 HydrophobicContact CG2-CD1 3.77Å; L33-I42 HydrophobicContact CD1-CG2 3.36Å; L40-I42 WeakPolarHBondContact O-CG1 3.44Å; I42-M44 HydrophobicContact CG2-CG 3.75Å; I42-M44 HydrophobicContact CG2-SD 4.25Å; I42-F63 CarbonylContact O-C 3.56Å; I42-F63 WeakPolarHBondContact O-CA 3.33Å; I42-I64 HydrophobicContact CB-CB 4.3Å; I42-I64 PolarHBondContact N-O 3.23Å; I42-I64 PolarHBondContact O-N 3.41Å; I42-V69 HydrophobicContact CD1-CG1 4.41Å; I42-V69 HydrophobicContact CD1-CG2 3.85Å; I42-I72 HydrophobicContact CD1-CD1 4.3Å
43A97.9Very high95.3Very high26 Ų2659.4 Ų59.422%0.21533%0.333CS..EExtended strand (participates in β ladder)trans-97.3131163.500000108.9A34 C35A34-A43 HydrophobicContact CB-CB 4.22Å; A34-A43 WeakPolarHBondContact CB-O 3.14Å; A34-A43 PolarHBondContact N-O 3.23Å; C35-A43 PolarHBondContact N-O 3.14Å; C35-A43 PolarHBondContact O-N 3.2Å; C35-A43 VanDerWaalsContact SG-CB 3.52Å
44M98.2Very high95.3Very high3 Ų365.3 Ų65.32%0.01536%0.361CS..EExtended strand (participates in β ladder)trans-129.8144.9179.5-70.3178.349.200111.2V19 V21 R30 G31 I32 I42 T47 D61 A62 I64V19-M44 HydrophobicContact CG2-CE 4.28Å; V19-M44 HydrophobicContact CG2-SD 4.3Å; V21-M44 HydrophobicContact CB-SD 4.39Å; V21-M44 HydrophobicContact CG2-SD 3.67Å; R30-M44 VanDerWaalsContact C-CE 3.43Å; G31-M44 VanDerWaalsContact CA-CE 3.43Å; I32-M44 CarbonylContact O-C 3.56Å; I32-M44 WeakPolarHBondContact O-CA 3.2Å; I42-M44 HydrophobicContact CG2-CG 3.75Å; I42-M44 HydrophobicContact CG2-SD 4.25Å; M44-T47 WeakPolarHBondContact CB-OG1 3.48Å; M44-T47 HydrophobicContact CE-CG2 4.07Å; M44-T47 PolarHBondContact O-OG1 3.11Å; M44-D61 WeakPolarHBondContact O-CA 3.24Å; M44-A62 PolarHBondContact N-O 3.09Å; M44-A62 PolarHBondContact O-N 3.02Å; M44-I64 HydrophobicContact SD-CD1 3.94Å
45E98.5Very high95.3Very high94 Ų9467.4 Ų67.444%0.43937%0.366SS..EExtended strand (participates in β ladder)trans-106.8159.4171.3-65.2168.7-167.100109.6G31 I32 A34 T47 G60G31-E45 WeakPolarHBondContact CA-O 3.34Å; I32-E45 HydrophobicContact CB-CB 4.33Å; I32-E45 PolarHBondContact N-O 3.39Å; I32-E45 PolarHBondContact O-N 3.18Å; A34-E45 HydrophobicContact CB-CG 4.2Å; E45-T47 PolarHBondContact O-N 3.4Å; E45-T47 VanDerWaalsContact O-N 3.16Å; E45-G60 CarbonylContact C-O 3.56Å
46Q97.8Very high95.4Very high141 Ų14169.6 Ų69.666%0.65937%0.368SS*.EExtended strand (participates in β ladder)trans51.838.1179-55.7-179-21.700113G60Q46-G60 PolarHBondContact N-O 2.86Å
47T98.5Very high95.6Very high0 Ų069.8 Ų69.80%037%0.373CS..EExtended strand (participates in β ladder)trans-75.8130.1-169.9-55.50000111.6Y29 R30 M44 E45 Y59 G60 A62Y29-T47 HydrophobicContact CD1-CG2 3.64Å; Y29-T47 HydrophobicContact CE1-CG2 4.5Å; Y29-T47 HydrophobicContact CG-CG2 4.49Å; R30-T47 CarbonylContact O-C 3.57Å; R30-T47 VanDerWaalsContact O-CA 3.31Å; R30-T47 WeakPolarHBondContact O-CA 3.34Å; M44-T47 WeakPolarHBondContact CB-OG1 3.48Å; M44-T47 HydrophobicContact CE-CG2 4.07Å; M44-T47 PolarHBondContact O-OG1 3.11Å; E45-T47 PolarHBondContact O-N 3.4Å; E45-T47 VanDerWaalsContact O-N 3.16Å; T47-Y59 PolarHBondContact O-N 2.83Å; T47-G60 VanDerWaalsContact CB-O 3.27Å; T47-G60 WeakPolarHBondContact CB-O 3.35Å; T47-G60 PolarHBondContact N-O 3Å; T47-G60 PolarHBondContact O-N 3.07Å; T47-G60 PolarHBondContact OG1-O 3.12Å; T47-G60 VanDerWaalsContact OG1-O 3.08Å; T47-A62 HydrophobicContact CG2-CB 3.78Å
48E98.4Very high96Very high45 Ų4573.4 Ų73.421%0.2139%0.385CS..EExtended strand (participates in β ladder)trans-122.6138175.8-63.7-172.7154.600110Y29 R30 Y50 L55 S57 K58Y29-E48 CarbonylContact C-O 3.41Å; Y29-E48 WeakPolarHBondContact CA-O 3.36Å; R30-E48 PolarHBondContact N-O 2.86Å; R30-E48 PolarHBondContact O-N 3.24Å; E48-Y50 HydrophobicContact CB-CD2 4.27Å; E48-Y50 HydrophobicContact CB-CE2 3.57Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E48-Y50 PolarHBondContact OE2-OH 2.86Å; E48-L55 HydrophobicContact CB-CD1 3.85Å; E48-L55 HydrophobicContact CG-CD1 4.22Å; E48-S57 WeakPolarHBondContact CA-O 3.46Å; E48-K58 HydrophobicContact CG-CD 4.44Å; E48-K58 HydrophobicContact CG-CG 4.17Å; E48-K58 WeakPolarHBondContact OE1-CE 2.98Å; E48-K58 IonicContact OE1-NZ 2.74Å; E48-K58 PolarHBondContact OE1-NZ 3.5Å
49E98.2Very high96.5Very high32 Ų3275.1 Ų75.115%0.1537%0.367CS..EExtended strand (participates in β ladder)trans-99.4133.2175.6-178.3-172.9161.500110.8T27 Y29 K56 S57 Y59T27-E49 HydrophobicContact CG2-CG 3.51Å; Y29-E49 HydrophobicContact CD1-CB 4.36Å; Y29-E49 HydrophobicContact CE1-CB 4.01Å; Y29-E49 HydrophobicContact CE1-CG 4.2Å; E49-K56 HydrophobicContact CG-CB 4.42Å; E49-K56 PolarHBondContact O-N 3.5Å; E49-S57 PolarHBondContact N-O 3.35Å; E49-Y59 HydrophobicContact CB-CD2 4.45Å; E49-Y59 HydrophobicContact CB-CE2 3.75Å; E49-Y59 VanDerWaalsContact OE2-CE2 3.3Å; E49-Y59 WeakPolarHBondContact OE2-CE2 3.37Å; E49-Y59 PolarHBondContact OE2-OH 2.62Å
50Y98.1Very high96.8Very high35 Ų3567.4 Ų67.414%0.13735%0.346CS..EExtended strand (participates in β ladder)trans-122.8128.9175.9-68-102.7000109.9D28 R30 E48 Q54 L55D28-Y50 PolarHBondContact N-O 2.8Å; D28-Y50 PolarHBondContact O-N 3.22Å; R30-Y50 HydrophobicContact CB-CD2 4.37Å; R30-Y50 HydrophobicContact CB-CE2 4.07Å; R30-Y50 VanDerWaalsContact CD-CE2 3.47Å; R30-Y50 HydrophobicContact CG-CD2 3.76Å; R30-Y50 HydrophobicContact CG-CE2 3.82Å; R30-Y50 VanDerWaalsContact NH1-CE1 3.27Å; E48-Y50 HydrophobicContact CB-CD2 4.27Å; E48-Y50 HydrophobicContact CB-CE2 3.57Å; E48-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E48-Y50 PolarHBondContact OE2-OH 2.86Å; Y50-Q54 CarbonylContact C-O 3.51Å; Y50-Q54 VanDerWaalsContact CA-O 3.22Å; Y50-Q54 WeakPolarHBondContact CA-O 3.05Å; Y50-L55 HydrophobicContact CD1-CB 4.37Å; Y50-L55 HydrophobicContact CE1-CB 4Å; Y50-L55 HydrophobicContact CE1-CD1 4.39Å; Y50-L55 HydrophobicContact CE2-CD1 4.07Å
51S95.4Very high97.1Very high40 Ų4070 Ų7028%0.2836%0.361SS..EExtended strand (participates in β ladder)trans-119.5127.1169.6-173.70000108.2G53 Q54S51-G53 PolarHBondContact O-N 3.34Å; S51-Q54 PolarHBondContact N-O 3.15Å; S51-Q54 PolarHBondContact O-N 2.9Å
52E92.9Very high97.3Very high184 Ų18469.6 Ų69.686%0.8636%0.362SS*.THydrogen-bonded Turntrans53.735.6-177.1-55.7-179164.500112.8Q54E52-Q54 PolarHBondContact O-N 3.07Å
53G92.1Very high97.3Very high51 Ų5176.4 Ų76.453%0.52639%0.391SS..THydrogen-bonded Turntrans76.5-3.9-178.900000115.3S51S51-G53 PolarHBondContact O-N 3.34Å
54Q97Very high97.2Very high123 Ų12375.7 Ų75.758%0.57538%0.384SS*.EExtended strand (participates in β ladder)trans-95.1136.4176.6-61.9-174.57.600111.3Y50 S51 E52 K56Y50-Q54 CarbonylContact C-O 3.51Å; Y50-Q54 VanDerWaalsContact CA-O 3.22Å; Y50-Q54 WeakPolarHBondContact CA-O 3.05Å; S51-Q54 PolarHBondContact N-O 3.15Å; S51-Q54 PolarHBondContact O-N 2.9Å; E52-Q54 PolarHBondContact O-N 3.07Å; Q54-K56 PolarHBondContact O-N 2.96Å
55L97.7Very high97.2Very high81 Ų8183.2 Ų83.242%0.42441%0.412SS..EExtended strand (participates in β ladder)trans-62.4124.7171.9178.768.4000109.5E48 Y50 K58E48-L55 HydrophobicContact CB-CD1 3.85Å; E48-L55 HydrophobicContact CG-CD1 4.22Å; Y50-L55 HydrophobicContact CD1-CB 4.37Å; Y50-L55 HydrophobicContact CE1-CB 4Å; Y50-L55 HydrophobicContact CE1-CD1 4.39Å; Y50-L55 HydrophobicContact CE2-CD1 4.07Å; L55-K58 HydrophobicContact CD1-CG 4.43Å
56K97.9Very high97.1Very high116 Ų11679 Ų7950%0.50440%0.395SS..EExtended strand (participates in β ladder)trans-104.9-47.5177.4-67.8-59.4-174.2-175.60112.2E49 Q54E49-K56 HydrophobicContact CG-CB 4.42Å; E49-K56 PolarHBondContact O-N 3.5Å; Q54-K56 PolarHBondContact O-N 2.96Å
57S98Very high97.1Very high43 Ų4376.9 Ų76.930%0.30139%0.388SS..EExtended strand (participates in β ladder)trans-148.4156-173.3-66.60000111.8E48 E49E48-S57 WeakPolarHBondContact CA-O 3.46Å; E49-S57 PolarHBondContact N-O 3.35Å
58K98.3Very high97Very high143 Ų14380.3 Ų80.362%0.62241%0.406SS*.EExtended strand (participates in β ladder)trans-119.5125.6167.5-55.3-162.9-177.7-141.30108.7E48 L55E48-K58 HydrophobicContact CG-CD 4.44Å; E48-K58 HydrophobicContact CG-CG 4.17Å; E48-K58 WeakPolarHBondContact OE1-CE 2.98Å; E48-K58 IonicContact OE1-NZ 2.74Å; E48-K58 PolarHBondContact OE1-NZ 3.5Å; L55-K58 HydrophobicContact CD1-CG 4.43Å
59Y97.4Very high96.9Very high115 Ų11579.3 Ų79.345%0.45140%0.403SS..EExtended strand (participates in β ladder)trans-107-23.1-176-64-65.1000113.3Y29 T47 E49 D61Y29-Y59 HydrophobicContact CE1-CD2 4.01Å; Y29-Y59 AromaticContact CE1-CE2 3.77Å; Y29-Y59 HydrophobicContact CE1-CE2 3.77Å; T47-Y59 PolarHBondContact O-N 2.83Å; E49-Y59 HydrophobicContact CB-CD2 4.45Å; E49-Y59 HydrophobicContact CB-CE2 3.75Å; E49-Y59 VanDerWaalsContact OE2-CE2 3.3Å; E49-Y59 WeakPolarHBondContact OE2-CE2 3.37Å; E49-Y59 PolarHBondContact OE2-OH 2.62Å; Y59-D61 PolarHBondContact O-N 3.19Å
60G97Very high96.9Very high30 Ų3082.7 Ų82.731%0.30942%0.421SS..EExtended strand (participates in β ladder)trans72.2-110.3-169.500000109.5E45 Q46 T47E45-G60 CarbonylContact C-O 3.56Å; Q46-G60 PolarHBondContact N-O 2.86Å; T47-G60 VanDerWaalsContact CB-O 3.27Å; T47-G60 WeakPolarHBondContact CB-O 3.35Å; T47-G60 PolarHBondContact N-O 3Å; T47-G60 PolarHBondContact O-N 3.07Å; T47-G60 PolarHBondContact OG1-O 3.12Å; T47-G60 VanDerWaalsContact OG1-O 3.08Å
61D97.7Very high96.7Very high134 Ų13485.9 Ų85.972%0.71743%0.434SS*.EExtended strand (participates in β ladder)trans-83.3127179.1-62-9.1000110.2M44 Y59M44-D61 WeakPolarHBondContact O-CA 3.24Å; Y59-D61 PolarHBondContact O-N 3.19Å
62A97.8Very high96.8Very high23 Ų2385.5 Ų85.519%0.1943%0.428CS..EExtended strand (participates in β ladder)trans-138.3147-176.600000111.7M44 T47M44-A62 PolarHBondContact N-O 3.09Å; M44-A62 PolarHBondContact O-N 3.02Å; T47-A62 HydrophobicContact CG2-CB 3.78Å
63F97.6Very high96.9Very high145 Ų14578.6 Ų78.664%0.63640%0.4SS*.EExtended strand (participates in β ladder)trans-117.8125.2171.9179.3-96.5000109.9N41 I42N41-F63 HydrophobicContact CB-CE2 3.88Å; N41-F63 HydrophobicContact CB-CZ 3.66Å; I42-F63 CarbonylContact O-C 3.56Å; I42-F63 WeakPolarHBondContact O-CA 3.33Å
64I97.6Very high97Very high11 Ų1178.6 Ų78.66%0.05640%0.395CS..EExtended strand (participates in β ladder)trans-111.3123.2178.6-59174.5000108.5V21 L23 Y29 N41 I42 M44 V69V21-I64 HydrophobicContact CB-CD1 4.27Å; V21-I64 HydrophobicContact CG1-CD1 4.04Å; L23-I64 HydrophobicContact CD2-CG2 3.73Å; Y29-I64 HydrophobicContact CD1-CD1 4.39Å; Y29-I64 HydrophobicContact CD2-CD1 4.23Å; Y29-I64 HydrophobicContact CG-CD1 3.89Å; N41-I64 WeakPolarHBondContact CA-O 3.21Å; I42-I64 HydrophobicContact CB-CB 4.3Å; I42-I64 PolarHBondContact N-O 3.23Å; I42-I64 PolarHBondContact O-N 3.41Å; M44-I64 HydrophobicContact SD-CD1 3.94Å; I64-V69 HydrophobicContact CG2-CG2 3.79Å
65R97.5Very high96.7Very high161 Ų16176.9 Ų76.961%0.60839%0.387SS*.  trans-72.5128.8174.6-166-174172.8173.2-2.1110.6N41 N67 N68N41-R65 WeakPolarHBondContact OD1-CA 3.31Å; R65-N67 VanDerWaalsContact C-N 3.34Å; R65-N67 WeakPolarHBondContact CD-OD1 3.43Å; R65-N67 WeakPolarHBondContact CG-OD1 3.35Å; R65-N67 PolarHBondContact NE-OD1 3.13Å; R65-N67 PolarHBondContact O-N 2.9Å; R65-N68 WeakPolarHBondContact O-CB 3.4Å; R65-N68 PolarHBondContact O-N 2.94Å; R65-N68 VanDerWaalsContact O-N 3.09Å
66G96.7Very high95.9Very high7 Ų782.2 Ų82.27%0.07241%0.407CS..G310 helixtrans-63-30.4-16700000115.9L40 N41 N68 V69L40-G66 VanDerWaalsContact C-CA 3.45Å; L40-G66 WeakPolarHBondContact O-CA 3.28Å; N41-G66 PolarHBondContact OD1-N 3.2Å; G66-N68 PolarHBondContact O-N 3.4Å; G66-N68 VanDerWaalsContact O-N 3.12Å; G66-V69 WeakPolarHBondContact O-CB 3.42Å; G66-V69 PolarHBondContact O-N 3.16Å
67N96.8Very high94.5Very high96 Ų9688 Ų8851%0.51343%0.426SS..G310 helixtrans-68.2-11.417871.8-79.5000113.8N24 R65N24-N67 PolarHBondContact ND2-O 2.98Å; R65-N67 VanDerWaalsContact C-N 3.34Å; R65-N67 WeakPolarHBondContact CD-OD1 3.43Å; R65-N67 WeakPolarHBondContact CG-OD1 3.35Å; R65-N67 PolarHBondContact NE-OD1 3.13Å; R65-N67 PolarHBondContact O-N 2.9Å
68N97Very high92.9Very high72 Ų7297.8 Ų97.839%0.38546%0.456SS..G310 helixtrans-90.9-10.1174.1-62.6-54.1000112.7L23 N24 R65 G66L23-N68 CarbonylContact C-O 3.59Å; L23-N68 VanDerWaalsContact CA-O 3.24Å; L23-N68 WeakPolarHBondContact CA-O 3.23Å; L23-N68 HydrophobicContact CD2-CB 4.36Å; N24-N68 PolarHBondContact N-O 3.2Å; N24-N68 PolarHBondContact ND2-O 3.11Å; R65-N68 WeakPolarHBondContact O-CB 3.4Å; R65-N68 PolarHBondContact O-N 2.94Å; R65-N68 VanDerWaalsContact O-N 3.09Å; G66-N68 PolarHBondContact O-N 3.4Å; G66-N68 VanDerWaalsContact O-N 3.12Å
69V96.8Very high90.4Very high23 Ų23102.3 Ų102.314%0.13949%0.486CS..EExtended strand (participates in β ladder)trans-82.1125.2-174.3179.50000109.8V21 L23 I42 I64 G66V21-V69 HydrophobicContact CG1-CG1 3.95Å; V21-V69 HydrophobicContact CG1-CG2 3.97Å; L23-V69 HydrophobicContact CD2-CG2 4.35Å; I42-V69 HydrophobicContact CD1-CG1 4.41Å; I42-V69 HydrophobicContact CD1-CG2 3.85Å; I64-V69 HydrophobicContact CG2-CG2 3.79Å; G66-V69 WeakPolarHBondContact O-CB 3.42Å; G66-V69 PolarHBondContact O-N 3.16Å
70L96.9Very high90.1Very high103 Ų103101.7 Ų101.754%0.53949%0.488SS..EExtended strand (participates in β ladder)trans-84-48.9170.217961.9000110.5K22K22-L70 HydrophobicContact CD-CD2 4.03Å; K22-L70 HydrophobicContact CG-CD2 4.29Å; K22-L70 WeakPolarHBondContact O-CB 3.45Å; K22-L70 PolarHBondContact O-N 3.07Å
71Y95.5Very high89.7Confident102 Ų102105.5 Ų105.540%0.450%0.497SS..EExtended strand (participates in β ladder)trans-155.7161.6171.668.5-105.8000112.3V21 K22V21-Y71 WeakPolarHBondContact CA-O 3.39Å; K22-Y71 HydrophobicContact CB-CD1 4.01Å; K22-Y71 HydrophobicContact CB-CD2 4.34Å; K22-Y71 HydrophobicContact CB-CE1 3.65Å; K22-Y71 HydrophobicContact CB-CE2 3.97Å; K22-Y71 HydrophobicContact CB-CG 4.35Å; K22-Y71 HydrophobicContact CD-CD1 4.45Å; K22-Y71 HydrophobicContact CD-CE1 3.63Å; K22-Y71 WeakPolarHBondContact CE-OH 3.17Å; K22-Y71 HydrophobicContact CG-CE1 4.16Å; K22-Y71 PolarHBondContact N-O 3.27Å; K22-Y71 PolarHBondContact O-N 2.76Å
72I95.9Very high89.3Confident32 Ų32103.9 Ų103.916%0.16449%0.485CS..EExtended strand (participates in β ladder)trans-118.6139.8165.1-177.6167.3000109.4F10 L11 I14 V19 V20 V21 L33 I42F10-I72 HydrophobicContact CE1-CG2 4.38Å; L11-I72 HydrophobicContact CD2-CG2 4.32Å; I14-I72 HydrophobicContact CD1-CD1 3.59Å; I14-I72 HydrophobicContact CD1-CG1 3.91Å; V19-I72 HydrophobicContact CB-CD1 4.36Å; V19-I72 HydrophobicContact CB-CG1 4.31Å; V19-I72 HydrophobicContact CG1-CD1 4.37Å; V19-I72 HydrophobicContact CG2-CD1 4.4Å; V20-I72 CarbonylContact O-C 3.54Å; V20-I72 WeakPolarHBondContact O-CA 3.41Å; V21-I72 HydrophobicContact CG2-CB 4.42Å; V21-I72 HydrophobicContact CG2-CD1 4.1Å; V21-I72 HydrophobicContact CG2-CG1 4.06Å; L33-I72 HydrophobicContact CD1-CD1 4.45Å; L33-I72 HydrophobicContact CD2-CD1 4.27Å; I42-I72 HydrophobicContact CD1-CD1 4.3Å
73S95.4Very high88.8Confident39 Ų39108.6 Ų108.627%0.27350%0.502SS..EExtended strand (participates in β ladder)trans-138.7149.3176.967.20000111.2V19 V20V19-S73 CarbonylContact C-O 3.59Å; V19-S73 VanDerWaalsContact CA-O 3.3Å; V19-S73 WeakPolarHBondContact CA-O 3.43Å; V19-S73 WeakPolarHBondContact CB-O 3.38Å; V20-S73 PolarHBondContact N-O 2.92Å; V20-S73 PolarHBondContact O-N 2.89Å; V20-S73 PolarHBondContact O-OG 2.99Å
74A94.8Very high88.2Confident51 Ų51106.4 Ų106.442%0.42149%0.494SS..EExtended strand (participates in β ladder)trans-66.3133.1168.600000109.4I14 K76I14-A74 HydrophobicContact CG2-CB 3.95Å; A74-K76 PolarHBondContact O-N 2.81Å
75Q91.6Very high87.6Confident87 Ų87112.7 Ų112.741%0.40752%0.523SS..PPolyproline II helixtrans-71.1117176.6-165.617621.700109P18 V20 R77P18-Q75 HydrophobicContact CB-CB 3.95Å; P18-Q75 WeakPolarHBondContact O-CB 3.22Å; P18-Q75 PolarHBondContact O-N 2.75Å; V20-Q75 HydrophobicContact CG2-CB 4.25Å; V20-Q75 HydrophobicContact CG2-CG 4.12Å; Q75-R77 PolarHBondContact O-N 3.37Å
76K80.6Confident86.9Confident193 Ų193109.3 Ų109.384%0.83952%0.517SS*.PPolyproline II helixtrans-63.9123172.4-80.8-174.8177.3179.20108.6A74 R78A74-K76 PolarHBondContact O-N 2.81Å; K76-R78 PolarHBondContact O-N 3.15Å; K76-R78 VanDerWaalsContact O-N 3.09Å
77R68.3Low86.2Confident239 Ų239117.2 Ų117.290%0.90255%0.551SS**PPolyproline II helixtrans-55116.3164.1-94.4179.5155-173.4-6.9107.7Q75 L79Q75-R77 PolarHBondContact O-N 3.37Å; R77-L79 PolarHBondContact O-N 3.14Å
78R64.9Low85.3Confident248 Ų248118.9 Ų118.994%0.93655%0.554SS**  trans-69.2114.4159.8-92.9-179.7140.3-179.3-6.3106.3K76K76-R78 PolarHBondContact O-N 3.15Å; K76-R78 VanDerWaalsContact O-N 3.09Å
79L45.6Very low84.2Confident238 Ų238123.2 Ų123.2100%1.24657%0.57SS**  trans-66.90160-70168.2000108.9R77R77-L79 PolarHBondContact O-N 3.14Å

Retrieved 79 of 79 residues in 17.3 ms (Link to these results)