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U6 snRNA-associated Sm-like protein LSm6

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 A0A2U9BPB3, Species SCOMX (Scophthalmus maximus, Turbot), Gene LSM6, Length 80 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.2Very low73.7Confident241 Ų241134.3 Ų134.3100%1.18768%0.682SS**  0119.90-78.9-178.5176.500108.1L3M1-L3 PolarHBondContact O-N 3.15Å
2S51.3Low74.8Confident110 Ų110126.1 Ų126.177%0.76964%0.641SS**  trans-64.8122.5175.91780000109.4R4S2-R4 VanDerWaalsContact C-N 3.3Å; S2-R4 PolarHBondContact O-N 2.92Å
3L62.9Low75.7Confident170 Ų170128.1 Ų128.189%0.8964%0.643SS**  trans-62.192.7167.9-83.9153.2000107.5M1 K5M1-L3 PolarHBondContact O-N 3.15Å; L3-K5 PolarHBondContact O-N 3.37Å
4R67.1Low76.7Confident231 Ų231125.1 Ų125.187%0.87263%0.626SS**  trans-60.7108.4173-75-172.6176.9-173.8-0.1107.5S2 Q6S2-R4 VanDerWaalsContact C-N 3.3Å; S2-R4 PolarHBondContact O-N 2.92Å; R4-Q6 PolarHBondContact O-N 2.82Å
5K72.4Confident77.6Confident199 Ų199117 Ų11787%0.86559%0.585SS**  trans-56.9109.7168.4-83.4-177174.6179.60107.4L3 T7L3-K5 PolarHBondContact O-N 3.37Å; K5-T7 PolarHBondContact O-N 2.83Å
6Q79.4Confident78.7Confident143 Ų143114.8 Ų114.867%0.66858%0.575SS**  trans-69.2123.5170.7-72.9-178-34.700108R4R4-Q6 PolarHBondContact O-N 2.82Å
7T86.3Confident79.6Confident62 Ų62111.1 Ų111.138%0.3857%0.573SS.*  trans-83.4158.2172.767.90000109.8K5 S9 D10 F11K5-T7 PolarHBondContact O-N 2.83Å; T7-S9 PolarHBondContact O-N 2.74Å; T7-D10 WeakPolarHBondContact CB-OD2 3.32Å; T7-D10 PolarHBondContact N-OD2 2.91Å; T7-D10 WeakPolarHBondContact O-CB 3.2Å; T7-D10 PolarHBondContact O-N 2.86Å; T7-D10 PolarHBondContact OG1-N 3.28Å; T7-D10 VanDerWaalsContact OG1-N 3.16Å; T7-D10 PolarHBondContact OG1-OD2 3.39Å; T7-F11 PolarHBondContact O-N 2.93Å; T7-F11 VanDerWaalsContact O-N 3.1Å
8P84.9Confident80.5Confident104 Ų104112.4 Ų112.468%0.67557%0.569SS**Hα-helixtrans-53.2-39.8170.6-27.235.8000112D10 F11 L12P8-D10 VanDerWaalsContact C-N 3.31Å; P8-D10 PolarHBondContact O-N 2.89Å; P8-F11 WeakPolarHBondContact O-CB 3.48Å; P8-F11 PolarHBondContact O-N 3.13Å; P8-F11 VanDerWaalsContact O-N 3.17Å; P8-L12 VanDerWaalsContact O-CG 3.25Å; P8-L12 WeakPolarHBondContact O-CG 3.46Å; P8-L12 PolarHBondContact O-N 2.9Å
9S86.2Confident81.4Confident72 Ų72109.7 Ų109.750%0.50356%0.56SS.*Hα-helixtrans-61.5-36.7176.5-54.10000113.2T7 K13T7-S9 PolarHBondContact O-N 2.74Å; S9-K13 WeakPolarHBondContact O-CG 3.34Å; S9-K13 PolarHBondContact O-N 3.28Å; S9-K13 VanDerWaalsContact O-N 3.16Å
10D87.9Confident82.1Confident61 Ų61104.3 Ų104.333%0.32653%0.532SS..Hα-helixtrans-68.3-40.3175.2-60.9-44.4000111.5T7 P8 K13 Q14T7-D10 WeakPolarHBondContact CB-OD2 3.32Å; T7-D10 PolarHBondContact N-OD2 2.91Å; T7-D10 WeakPolarHBondContact O-CB 3.2Å; T7-D10 PolarHBondContact O-N 2.86Å; T7-D10 PolarHBondContact OG1-N 3.28Å; T7-D10 VanDerWaalsContact OG1-N 3.16Å; T7-D10 PolarHBondContact OG1-OD2 3.39Å; P8-D10 VanDerWaalsContact C-N 3.31Å; P8-D10 PolarHBondContact O-N 2.89Å; D10-K13 PolarHBondContact O-N 3.28Å; D10-Q14 VanDerWaalsContact O-CG 3.3Å; D10-Q14 WeakPolarHBondContact O-CG 3.34Å; D10-Q14 PolarHBondContact O-N 2.88Å
11F85.7Confident82.9Confident84 Ų84100.1 Ų100.137%0.36851%0.512SS..Hα-helixtrans-60.9-47.7174.6170.4-100.7000111.2T7 P8 K13 Q14 I15T7-F11 PolarHBondContact O-N 2.93Å; T7-F11 VanDerWaalsContact O-N 3.1Å; P8-F11 WeakPolarHBondContact O-CB 3.48Å; P8-F11 PolarHBondContact O-N 3.13Å; P8-F11 VanDerWaalsContact O-N 3.17Å; F11-K13 VanDerWaalsContact C-N 3.31Å; F11-K13 PolarHBondContact O-N 2.92Å; F11-Q14 WeakPolarHBondContact O-CB 3.4Å; F11-Q14 PolarHBondContact O-N 2.98Å; F11-I15 HydrophobicContact CD1-CD1 4.42Å; F11-I15 HydrophobicContact CD2-CG2 4.34Å; F11-I15 HydrophobicContact CE1-CD1 3.81Å; F11-I15 HydrophobicContact CE1-CG2 4.34Å; F11-I15 HydrophobicContact CE2-CG2 3.83Å; F11-I15 HydrophobicContact CZ-CD1 4.21Å; F11-I15 HydrophobicContact CZ-CG2 3.83Å; F11-I15 PolarHBondContact O-N 2.82Å
12L86.6Confident85.2Confident36 Ų3688.6 Ų88.619%0.18846%0.455CS..Hα-helixtrans-58.8-41.9-179.8-70.1172.7000112P8 Q14 I15 L37P8-L12 VanDerWaalsContact O-CG 3.25Å; P8-L12 WeakPolarHBondContact O-CG 3.46Å; P8-L12 PolarHBondContact O-N 2.9Å; L12-Q14 VanDerWaalsContact C-N 3.28Å; L12-Q14 PolarHBondContact O-N 2.85Å; L12-I15 HydrophobicContact CD2-CD1 4.23Å; L12-I15 WeakPolarHBondContact O-CG1 3.45Å; L12-I15 PolarHBondContact O-N 2.95Å; L12-L37 HydrophobicContact CB-CD1 3.86Å; L12-L37 HydrophobicContact CB-CD2 4.1Å; L12-L37 HydrophobicContact CD1-CD1 3.63Å; L12-L37 HydrophobicContact CD2-CD1 3.67Å; L12-L37 HydrophobicContact CD2-CD2 3.76Å; L12-L37 HydrophobicContact CD2-CG 4.38Å; L12-L37 HydrophobicContact CG-CD1 3.87Å; L12-L37 HydrophobicContact CG-CD2 4.43Å
13K86.8Confident87.4Confident152 Ų15285.7 Ų85.766%0.66143%0.428SS*.Hα-helixtrans-63.1-32.6174.8-72.5174-177.81770113.2S9 D10 F11 I15S9-K13 WeakPolarHBondContact O-CG 3.34Å; S9-K13 PolarHBondContact O-N 3.28Å; S9-K13 VanDerWaalsContact O-N 3.16Å; D10-K13 PolarHBondContact O-N 3.28Å; F11-K13 VanDerWaalsContact C-N 3.31Å; F11-K13 PolarHBondContact O-N 2.92Å; K13-I15 VanDerWaalsContact C-N 3.34Å
14Q88.6Confident89.1Confident87 Ų8778.6 Ų78.641%0.40739%0.391SS..Hα-helixtrans-75.4-22.3-178.3-72.2171.323.900113.6D10 F11 L12 R18D10-Q14 VanDerWaalsContact O-CG 3.3Å; D10-Q14 WeakPolarHBondContact O-CG 3.34Å; D10-Q14 PolarHBondContact O-N 2.88Å; F11-Q14 WeakPolarHBondContact O-CB 3.4Å; F11-Q14 PolarHBondContact O-N 2.98Å; L12-Q14 VanDerWaalsContact C-N 3.28Å; L12-Q14 PolarHBondContact O-N 2.85Å; Q14-R18 WeakPolarHBondContact O-CD 3.39Å; Q14-R18 VanDerWaalsContact O-CZ 3.27Å; Q14-R18 PolarHBondContact O-NE 3.2Å
15I91.1Very high90.6Very high3 Ų372.2 Ų72.22%0.01537%0.374CS..Hα-helixtrans-97.1-9.8-175.261.4163.6000113.9F11 L12 K13 G17 R18 L34 L37 I73 T75F11-I15 HydrophobicContact CD1-CD1 4.42Å; F11-I15 HydrophobicContact CD2-CG2 4.34Å; F11-I15 HydrophobicContact CE1-CD1 3.81Å; F11-I15 HydrophobicContact CE1-CG2 4.34Å; F11-I15 HydrophobicContact CE2-CG2 3.83Å; F11-I15 HydrophobicContact CZ-CD1 4.21Å; F11-I15 HydrophobicContact CZ-CG2 3.83Å; F11-I15 PolarHBondContact O-N 2.82Å; L12-I15 HydrophobicContact CD2-CD1 4.23Å; L12-I15 WeakPolarHBondContact O-CG1 3.45Å; L12-I15 PolarHBondContact O-N 2.95Å; K13-I15 VanDerWaalsContact C-N 3.34Å; I15-G17 PolarHBondContact O-N 2.81Å; I15-R18 WeakPolarHBondContact O-CB 3.32Å; I15-R18 PolarHBondContact O-N 2.62Å; I15-R18 VanDerWaalsContact O-N 3.1Å; I15-L34 HydrophobicContact CB-CD2 4.14Å; I15-L34 HydrophobicContact CD1-CD2 3.59Å; I15-L34 HydrophobicContact CG1-CD2 3.53Å; I15-L34 WeakPolarHBondContact O-CD2 3.15Å; I15-L37 HydrophobicContact CD1-CD2 4.38Å; I15-I73 HydrophobicContact CD1-CG2 3.91Å; I15-T75 HydrophobicContact CB-CG2 4.21Å; I15-T75 HydrophobicContact CG2-CG2 3.45Å; I15-T75 VanDerWaalsContact CG2-CG2 3.45Å
16I94.2Very high91.7Very high82 Ų8267.1 Ų67.142%0.42136%0.364SS..THydrogen-bonded Turntrans-58.9136.8171.9-65.4170.6000109.6R18 L34 L37I16-R18 PolarHBondContact O-N 2.87Å; I16-L34 HydrophobicContact CG1-CD2 4.48Å; I16-L37 HydrophobicContact CG1-CD2 4.48Å
17G95.2Very high92.5Very high52 Ų5261.9 Ų61.954%0.53635%0.349SS..THydrogen-bonded Turntrans74.82.3-176.300000114.5I15 L34I15-G17 PolarHBondContact O-N 2.81Å; G17-L34 WeakPolarHBondContact CA-O 3.42Å; G17-L34 PolarHBondContact N-O 2.83Å
18R95.6Very high93.1Very high134 Ų13460.1 Ų60.151%0.50634%0.338SS..SBendtrans-98.8151.5178.6-58.2-168.7-178.5-172.71.1111.5Q14 I15 I16 V20 L34Q14-R18 WeakPolarHBondContact O-CD 3.39Å; Q14-R18 VanDerWaalsContact O-CZ 3.27Å; Q14-R18 PolarHBondContact O-NE 3.2Å; I15-R18 WeakPolarHBondContact O-CB 3.32Å; I15-R18 PolarHBondContact O-N 2.62Å; I15-R18 VanDerWaalsContact O-N 3.1Å; I16-R18 PolarHBondContact O-N 2.87Å; R18-V20 PolarHBondContact O-N 3.25Å; R18-L34 PolarHBondContact O-N 3.18Å
19P96.7Very high93.7Very high62 Ų6256.1 Ų56.140%0.40331%0.311SS..EExtended strand (participates in β ladder)trans-59.8128.9165.4-24.235.9000110.7G32 Q76P19-G32 CarbonylContact C-O 3.57Å; P19-G32 WeakPolarHBondContact CA-O 3.17Å; P19-Q76 HydrophobicContact CB-CB 4.02Å; P19-Q76 PolarHBondContact O-N 2.79Å
20V96.7Very high94.3Very high0 Ų054.2 Ų54.20%029%0.293CS..EExtended strand (participates in β ladder)trans-131.9157.9-179.6-64.40000111.6R18 V22 R31 G32 L34 I45 I73 S74R18-V20 PolarHBondContact O-N 3.25Å; V20-V22 HydrophobicContact CG2-CG2 4.1Å; V20-R31 WeakPolarHBondContact O-CA 3.21Å; V20-G32 PolarHBondContact N-O 3.2Å; V20-G32 PolarHBondContact O-N 3.49Å; V20-L34 HydrophobicContact CG1-CB 4.03Å; V20-L34 HydrophobicContact CG1-CD2 4.35Å; V20-L34 HydrophobicContact CG2-CB 3.89Å; V20-L34 HydrophobicContact CG2-CD1 4.49Å; V20-I45 HydrophobicContact CG2-CD1 4.05Å; V20-I73 HydrophobicContact CB-CG2 4.22Å; V20-I73 HydrophobicContact CG1-CG2 4.26Å; V20-S74 CarbonylContact C-O 3.46Å; V20-S74 WeakPolarHBondContact CA-O 3.38Å; V20-S74 WeakPolarHBondContact CB-O 3.31Å
21V97.1Very high94.7Very high17 Ų1754.3 Ų54.310%0.10329%0.288CS..EExtended strand (participates in β ladder)trans-112.2122.3162.8-175.20000107.6D29 Y30 R31 S74 Q76V21-D29 HydrophobicContact CG1-CB 4.14Å; V21-Y30 CarbonylContact C-O 3.59Å; V21-Y30 WeakPolarHBondContact CA-O 3.36Å; V21-R31 HydrophobicContact CG1-CG 4.22Å; V21-R31 HydrophobicContact CG2-CG 4.03Å; V21-S74 PolarHBondContact N-O 3.27Å; V21-S74 PolarHBondContact O-N 2.69Å; V21-Q76 HydrophobicContact CG2-CB 4.32Å; V21-Q76 HydrophobicContact CG2-CG 4.5Å
22V97.2Very high95.3Very high0 Ų050.8 Ų50.80%028%0.276CS..EExtended strand (participates in β ladder)trans-109113.8173.9-174.50000107.8V20 L24 Y30 I43 I45 L65 V70 Y72 I73V20-V22 HydrophobicContact CG2-CG2 4.1Å; V22-L24 HydrophobicContact CG1-CD2 4.41Å; V22-Y30 PolarHBondContact N-O 3.49Å; V22-Y30 PolarHBondContact O-N 2.81Å; V22-I43 HydrophobicContact CG1-CD1 3.77Å; V22-I43 HydrophobicContact CG2-CD1 4.01Å; V22-I45 HydrophobicContact CG2-CD1 4.46Å; V22-L65 HydrophobicContact CB-CD1 3.84Å; V22-L65 HydrophobicContact CG1-CD1 3.69Å; V22-L65 HydrophobicContact CG2-CD1 4.2Å; V22-V70 HydrophobicContact CG1-CG1 4Å; V22-V70 HydrophobicContact CG1-CG2 4.07Å; V22-Y72 WeakPolarHBondContact CA-O 3.46Å; V22-I73 HydrophobicContact CG1-CG1 4.5Å; V22-I73 HydrophobicContact CG2-CG1 4.45Å; V22-I73 HydrophobicContact CG2-CG2 4.35Å
23K97.7Very high95.8Very high48 Ų4850.7 Ų50.721%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-95.4131175.7-170.6168.9-163.888.10109.4G27 D29 L71 Y72K23-G27 PolarHBondContact NZ-O 3.01Å; K23-D29 WeakPolarHBondContact CD-OD1 3.34Å; K23-D29 VanDerWaalsContact CG-OD1 3.23Å; K23-D29 WeakPolarHBondContact CG-OD1 3.48Å; K23-D29 IonicContact NZ-OD1 2.71Å; K23-D29 PolarHBondContact NZ-OD1 3.1Å; K23-D29 IonicContact NZ-OD2 3.71Å; K23-L71 HydrophobicContact CD-CD2 4.2Å; K23-L71 HydrophobicContact CG-CD2 4.34Å; K23-L71 WeakPolarHBondContact O-CB 3.45Å; K23-L71 PolarHBondContact O-N 3.16Å; K23-Y72 HydrophobicContact CB-CD1 3.86Å; K23-Y72 HydrophobicContact CB-CD2 4.36Å; K23-Y72 HydrophobicContact CB-CE1 3.51Å; K23-Y72 HydrophobicContact CB-CE2 4.02Å; K23-Y72 HydrophobicContact CB-CG 4.27Å; K23-Y72 HydrophobicContact CD-CD1 4.23Å; K23-Y72 HydrophobicContact CD-CE1 3.37Å; K23-Y72 HydrophobicContact CG-CE1 4.02Å; K23-Y72 PolarHBondContact N-O 3.03Å; K23-Y72 PolarHBondContact O-N 3.38Å
24L97.9Very high96.3Very high21 Ų2143.4 Ų43.411%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-88.1160.5173.3-57.3-168.2000111.4V22 S26 G27 V28 Y30 N69 V70V22-L24 HydrophobicContact CG1-CD2 4.41Å; L24-S26 PolarHBondContact O-N 3.03Å; L24-S26 VanDerWaalsContact O-N 3.12Å; L24-G27 PolarHBondContact O-N 3.34Å; L24-V28 PolarHBondContact N-O 3.38Å; L24-Y30 HydrophobicContact CD1-CD2 4.08Å; L24-Y30 HydrophobicContact CD1-CE2 3.49Å; L24-Y30 VanDerWaalsContact CD1-CE2 3.49Å; L24-Y30 HydrophobicContact CG-CD2 3.97Å; L24-Y30 HydrophobicContact CG-CE2 3.88Å; L24-N69 CarbonylContact C-O 3.6Å; L24-N69 WeakPolarHBondContact CA-O 3.25Å; L24-V70 HydrophobicContact CD2-CG2 4.26Å
25N97.8Very high96.7Very high97 Ų9740.9 Ų40.952%0.51924%0.239SC..THydrogen-bonded Turntrans-57.1-24.6174.1-68.9-28.6000113G27 N68 N69N25-G27 PolarHBondContact O-N 2.77Å; N25-N68 PolarHBondContact ND2-O 3.17Å; N25-N69 PolarHBondContact N-O 3.37Å
26S96.7Very high96.8Very high92 Ų9244 Ų4464%0.64326%0.26SS*.THydrogen-bonded Turntrans-72.1-10.4173.759.10000114.1L24 V28L24-S26 PolarHBondContact O-N 3.03Å; L24-S26 VanDerWaalsContact O-N 3.12Å; S26-V28 WeakPolarHBondContact OG-CG2 3.49Å
27G96.5Very high96.8Very high34 Ų3441.8 Ų41.835%0.35125%0.249SC..SBendtrans92.6-7.3-176.800000115K23 L24 N25K23-G27 PolarHBondContact NZ-O 3.01Å; L24-G27 PolarHBondContact O-N 3.34Å; N25-G27 PolarHBondContact O-N 2.77Å
28V98Very high96.5Very high25 Ų2542.1 Ų42.115%0.15224%0.239CC..  trans-70.9135.6177-177.40000110.3L24 S26 Y30 E50 V52L24-V28 PolarHBondContact N-O 3.38Å; S26-V28 WeakPolarHBondContact OG-CG2 3.49Å; V28-Y30 HydrophobicContact CB-CE2 4.21Å; V28-Y30 HydrophobicContact CG1-CD2 4.12Å; V28-Y30 HydrophobicContact CG1-CE2 3.55Å; V28-E50 HydrophobicContact CG1-CG 3.65Å; V28-V52 HydrophobicContact CG1-CG2 4.28Å; V28-V52 HydrophobicContact CG2-CG2 4.27Å
29D97.8Very high96.2Very high19 Ų1939.5 Ų39.510%0.10225%0.253CS..EExtended strand (participates in β ladder)trans-103.6129.5175.4-54.5-34.6000110.2V21 K23 Y51V21-D29 HydrophobicContact CG1-CB 4.14Å; K23-D29 WeakPolarHBondContact CD-OD1 3.34Å; K23-D29 VanDerWaalsContact CG-OD1 3.23Å; K23-D29 WeakPolarHBondContact CG-OD1 3.48Å; K23-D29 IonicContact NZ-OD1 2.71Å; K23-D29 PolarHBondContact NZ-OD1 3.1Å; K23-D29 IonicContact NZ-OD2 3.71Å; D29-Y51 PolarHBondContact N-O 3.12Å; D29-Y51 PolarHBondContact O-N 3.19Å
30Y98Very high96Very high33 Ų3345.5 Ų45.513%0.12927%0.269CS..EExtended strand (participates in β ladder)trans-106.7129.7169.4-70.6-93000109.1V21 V22 L24 V28 T48 E49 E50 Y60 L65V21-Y30 CarbonylContact C-O 3.59Å; V21-Y30 WeakPolarHBondContact CA-O 3.36Å; V22-Y30 PolarHBondContact N-O 3.49Å; V22-Y30 PolarHBondContact O-N 2.81Å; L24-Y30 HydrophobicContact CD1-CD2 4.08Å; L24-Y30 HydrophobicContact CD1-CE2 3.49Å; L24-Y30 VanDerWaalsContact CD1-CE2 3.49Å; L24-Y30 HydrophobicContact CG-CD2 3.97Å; L24-Y30 HydrophobicContact CG-CE2 3.88Å; V28-Y30 HydrophobicContact CB-CE2 4.21Å; V28-Y30 HydrophobicContact CG1-CD2 4.12Å; V28-Y30 HydrophobicContact CG1-CE2 3.55Å; Y30-T48 HydrophobicContact CD1-CG2 3.6Å; Y30-T48 HydrophobicContact CE1-CG2 4.48Å; Y30-T48 HydrophobicContact CG-CG2 4.42Å; Y30-E49 CarbonylContact C-O 3.6Å; Y30-E49 WeakPolarHBondContact CA-O 3.47Å; Y30-E50 HydrophobicContact CD1-CB 4.48Å; Y30-E50 HydrophobicContact CE1-CB 4.22Å; Y30-E50 HydrophobicContact CE1-CG 4.27Å; Y30-E50 PolarHBondContact OH-OE1 2.85Å; Y30-Y60 HydrophobicContact CD1-CD2 4.47Å; Y30-Y60 AromaticContact CE1-CD2 3.91Å; Y30-Y60 HydrophobicContact CE1-CD2 3.91Å; Y30-Y60 AromaticContact CE1-CE2 3.73Å; Y30-Y60 HydrophobicContact CE1-CE2 3.73Å; Y30-L65 HydrophobicContact CD1-CD2 4.12Å; Y30-L65 HydrophobicContact CD2-CD1 4.38Å; Y30-L65 HydrophobicContact CD2-CD2 4.06Å; Y30-L65 HydrophobicContact CE1-CD2 4.21Å; Y30-L65 HydrophobicContact CE2-CD2 4.2Å; Y30-L65 HydrophobicContact CG-CD1 4.15Å; Y30-L65 HydrophobicContact CG-CD2 4.02Å
31R97.6Very high95.9Very high62 Ų6249.5 Ų49.523%0.23429%0.288CS..EExtended strand (participates in β ladder)trans-122.5139.6179.9-52.2-169.8-174.5160.91.3109.9V20 V21 T48 E49 Y51V20-R31 WeakPolarHBondContact O-CA 3.21Å; V21-R31 HydrophobicContact CG1-CG 4.22Å; V21-R31 HydrophobicContact CG2-CG 4.03Å; R31-T48 CarbonylContact O-C 3.56Å; R31-T48 VanDerWaalsContact O-CA 3.31Å; R31-T48 WeakPolarHBondContact O-CA 3.44Å; R31-E49 PolarHBondContact N-O 3.3Å; R31-E49 PolarHBondContact O-N 3.35Å; R31-Y51 HydrophobicContact CB-CD2 4.5Å; R31-Y51 HydrophobicContact CB-CE2 4.12Å; R31-Y51 VanDerWaalsContact CD-CE2 3.48Å; R31-Y51 HydrophobicContact CG-CD2 3.82Å; R31-Y51 HydrophobicContact CG-CE2 3.78Å
32G97.2Very high95.8Very high10 Ų1051.5 Ų51.510%0.10330%0.299CS..EExtended strand (participates in β ladder)trans167.3-170.8-176.500000111.8P19 V20 E46P19-G32 CarbonylContact C-O 3.57Å; P19-G32 WeakPolarHBondContact CA-O 3.17Å; V20-G32 PolarHBondContact N-O 3.2Å; V20-G32 PolarHBondContact O-N 3.49Å; G32-E46 CarbonylContact C-O 3.53Å; G32-E46 WeakPolarHBondContact CA-O 3.47Å
33V97.3Very high95.8Very high34 Ų3451.6 Ų51.621%0.20630%0.299CS..EExtended strand (participates in β ladder)trans-92.3126.2179-178.50000109.5A35 I45 E46V33-A35 PolarHBondContact O-N 2.8Å; V33-A35 VanDerWaalsContact O-N 3.13Å; V33-I45 WeakPolarHBondContact O-CA 3.49Å; V33-E46 HydrophobicContact CB-CB 4.4Å; V33-E46 PolarHBondContact N-O 2.93Å; V33-E46 PolarHBondContact O-N 3Å
34L97Very high95.8Very high0 Ų049.9 Ų49.90%029%0.294CS..EExtended strand (participates in β ladder)trans-72105.5179.4-175.464.1000110.6I15 I16 G17 R18 V20 L37 I43I15-L34 HydrophobicContact CB-CD2 4.14Å; I15-L34 HydrophobicContact CD1-CD2 3.59Å; I15-L34 HydrophobicContact CG1-CD2 3.53Å; I15-L34 WeakPolarHBondContact O-CD2 3.15Å; I16-L34 HydrophobicContact CG1-CD2 4.48Å; G17-L34 WeakPolarHBondContact CA-O 3.42Å; G17-L34 PolarHBondContact N-O 2.83Å; R18-L34 PolarHBondContact O-N 3.18Å; V20-L34 HydrophobicContact CG1-CB 4.03Å; V20-L34 HydrophobicContact CG1-CD2 4.35Å; V20-L34 HydrophobicContact CG2-CB 3.89Å; V20-L34 HydrophobicContact CG2-CD1 4.49Å; L34-L37 HydrophobicContact CD1-CD2 4.36Å; L34-L37 HydrophobicContact CD2-CD2 3.57Å; L34-L37 HydrophobicContact CG-CD2 4.32Å; L34-I43 HydrophobicContact CD1-CG2 3.45Å; L34-I43 VanDerWaalsContact CD1-CG2 3.45Å
35A96.8Very high95.8Very high34 Ų3449 Ų4928%0.28129%0.289SS..EExtended strand (participates in β ladder)trans-78.7-51.4179.500000111.6V33 A44 E46V33-A35 PolarHBondContact O-N 2.8Å; V33-A35 VanDerWaalsContact O-N 3.13Å; A35-A44 HydrophobicContact CB-CB 4.18Å; A35-A44 PolarHBondContact N-O 2.8Å; A35-E46 HydrophobicContact CB-CG 3.99Å
36C93.8Very high95.8Very high67 Ų6748.1 Ų48.145%0.45328%0.282SS..EExtended strand (participates in β ladder)trans-156.1164.5175.768.50000111.9A44C36-A44 PolarHBondContact N-O 2.91Å; C36-A44 PolarHBondContact O-N 3.09Å; C36-A44 WeakPolarHBondContact SG-CB 3.37Å
37L93.7Very high95.8Very high36 Ų3650.7 Ų50.719%0.18828%0.284CS..EExtended strand (participates in β ladder)trans-152.7161.5173.47195.7000111.1L12 I15 I16 L34 N42 I43L12-L37 HydrophobicContact CB-CD1 3.86Å; L12-L37 HydrophobicContact CB-CD2 4.1Å; L12-L37 HydrophobicContact CD1-CD1 3.63Å; L12-L37 HydrophobicContact CD2-CD1 3.67Å; L12-L37 HydrophobicContact CD2-CD2 3.76Å; L12-L37 HydrophobicContact CD2-CG 4.38Å; L12-L37 HydrophobicContact CG-CD1 3.87Å; L12-L37 HydrophobicContact CG-CD2 4.43Å; I15-L37 HydrophobicContact CD1-CD2 4.38Å; I16-L37 HydrophobicContact CG1-CD2 4.48Å; L34-L37 HydrophobicContact CD1-CD2 4.36Å; L34-L37 HydrophobicContact CD2-CD2 3.57Å; L34-L37 HydrophobicContact CG-CD2 4.32Å; L37-N42 WeakPolarHBondContact CA-O 2.98Å; L37-I43 HydrophobicContact CB-CG1 4.23Å
38D90.1Very high95.9Very high60 Ų6049 Ų4932%0.32127%0.267SS..  trans-118.3-179.5174.77214.6000114.1Y40 M41 N42D38-Y40 PolarHBondContact O-N 3.48Å; D38-Y40 WeakPolarHBondContact OD1-CA 3.2Å; D38-Y40 WeakPolarHBondContact OD1-CB 3.49Å; D38-Y40 PolarHBondContact OD1-N 2.82Å; D38-M41 PolarHBondContact O-N 3Å; D38-M41 VanDerWaalsContact O-N 3.08Å; D38-M41 PolarHBondContact OD1-N 3.17Å; D38-N42 PolarHBondContact N-O 2.98Å; D38-N42 PolarHBondContact OD1-N 3.05Å; D38-N42 PolarHBondContact OD1-ND2 2.92Å; D38-N42 WeakPolarHBondContact OD2-CB 3.44Å; D38-N42 PolarHBondContact OD2-ND2 2.8Å
39G88.3Confident95.9Very high78 Ų7850.1 Ų50.180%0.80427%0.27SS*.THydrogen-bonded Turntrans-67.9-10.4178.700000115.1
40Y93.1Very high95.9Very high188 Ų18849.9 Ų49.974%0.73727%0.269SS*.THydrogen-bonded Turntrans-99.54.8174.1-62.2-74.5000112.3D38 N42 G67D38-Y40 PolarHBondContact O-N 3.48Å; D38-Y40 WeakPolarHBondContact OD1-CA 3.2Å; D38-Y40 WeakPolarHBondContact OD1-CB 3.49Å; D38-Y40 PolarHBondContact OD1-N 2.82Å; Y40-N42 VanDerWaalsContact C-N 3.27Å; Y40-N42 PolarHBondContact O-N 3.27Å; Y40-G67 WeakPolarHBondContact O-CA 3.42Å
41M94.1Very high95.9Very high84 Ų8449.9 Ų49.941%0.41427%0.269SS..  trans64.524.1-175.9-50.9-176.9-70.100114.1D38 I43 G67D38-M41 PolarHBondContact O-N 3Å; D38-M41 VanDerWaalsContact O-N 3.08Å; D38-M41 PolarHBondContact OD1-N 3.17Å; M41-I43 WeakPolarHBondContact O-CG1 3Å; M41-G67 WeakPolarHBondContact O-CA 3.39Å
42N95.7Very high95.8Very high60 Ų6049.1 Ų49.132%0.32127%0.271SS..  trans-66.8136.1163-58.8-55.7000108L37 D38 Y40 L65 G67L37-N42 WeakPolarHBondContact CA-O 2.98Å; D38-N42 PolarHBondContact N-O 2.98Å; D38-N42 PolarHBondContact OD1-N 3.05Å; D38-N42 PolarHBondContact OD1-ND2 2.92Å; D38-N42 WeakPolarHBondContact OD2-CB 3.44Å; D38-N42 PolarHBondContact OD2-ND2 2.8Å; Y40-N42 VanDerWaalsContact C-N 3.27Å; Y40-N42 PolarHBondContact O-N 3.27Å; N42-L65 WeakPolarHBondContact CA-O 3.4Å; N42-G67 PolarHBondContact OD1-N 3.28Å
43I96.6Very high95.6Very high2 Ų256.1 Ų56.11%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-129.9132.8-169.2-66.2155.5000109.4V22 L34 L37 M41 I45 F64 L65 V70 I73V22-I43 HydrophobicContact CG1-CD1 3.77Å; V22-I43 HydrophobicContact CG2-CD1 4.01Å; L34-I43 HydrophobicContact CD1-CG2 3.45Å; L34-I43 VanDerWaalsContact CD1-CG2 3.45Å; L37-I43 HydrophobicContact CB-CG1 4.23Å; M41-I43 WeakPolarHBondContact O-CG1 3Å; I43-I45 HydrophobicContact CG2-CB 4.24Å; I43-F64 CarbonylContact O-C 3.48Å; I43-F64 VanDerWaalsContact O-CA 3.32Å; I43-F64 WeakPolarHBondContact O-CA 3.4Å; I43-L65 HydrophobicContact CB-CB 4.27Å; I43-L65 PolarHBondContact N-O 2.88Å; I43-L65 PolarHBondContact O-N 3.36Å; I43-V70 HydrophobicContact CD1-CG1 4.45Å; I43-V70 HydrophobicContact CD1-CG2 3.89Å; I43-I73 HydrophobicContact CD1-CD1 3.6Å; I43-I73 HydrophobicContact CD1-CG1 3.98Å; I43-I73 HydrophobicContact CG1-CD1 4.27Å
44A97.4Very high95.3Very high12 Ų1256.9 Ų56.910%0.09932%0.32CS..EExtended strand (participates in β ladder)trans-99.1127.2159.200000108.8A35 C36 A63 F64A35-A44 HydrophobicContact CB-CB 4.18Å; A35-A44 PolarHBondContact N-O 2.8Å; C36-A44 PolarHBondContact N-O 2.91Å; C36-A44 PolarHBondContact O-N 3.09Å; C36-A44 WeakPolarHBondContact SG-CB 3.37Å; A44-A63 WeakPolarHBondContact CA-O 3.48Å; A44-F64 HydrophobicContact CB-CD1 3.95Å; A44-F64 HydrophobicContact CB-CE1 3.7Å; A44-F64 HydrophobicContact CB-CZ 4.45Å
45I97.7Very high95.3Very high1 Ų164 Ų641%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-126.5131.8-179.8-173.9166.8000109.4V20 V22 V33 I43 T48 D62 A63 L65V20-I45 HydrophobicContact CG2-CD1 4.05Å; V22-I45 HydrophobicContact CG2-CD1 4.46Å; V33-I45 WeakPolarHBondContact O-CA 3.49Å; I43-I45 HydrophobicContact CG2-CB 4.24Å; I45-T48 HydrophobicContact CG2-CG2 3.96Å; I45-T48 WeakPolarHBondContact CG2-OG1 3.34Å; I45-T48 PolarHBondContact O-OG1 3.23Å; I45-D62 CarbonylContact O-C 3.59Å; I45-D62 WeakPolarHBondContact O-CA 3.38Å; I45-A63 HydrophobicContact CG2-CB 4.07Å; I45-A63 WeakPolarHBondContact CG2-O 3.35Å; I45-A63 PolarHBondContact N-O 3.19Å; I45-A63 PolarHBondContact O-N 3.37Å; I45-L65 HydrophobicContact CG2-CD1 4.19Å; I45-L65 HydrophobicContact CG2-CG 4.27Å
46E97.9Very high95.3Very high80 Ų8066.3 Ų66.337%0.37436%0.361SS..EExtended strand (participates in β ladder)trans-98.4155.3178.2-67.7173.2-176.200110.2G32 V33 A35 T48 D62G32-E46 CarbonylContact C-O 3.53Å; G32-E46 WeakPolarHBondContact CA-O 3.47Å; V33-E46 HydrophobicContact CB-CB 4.4Å; V33-E46 PolarHBondContact N-O 2.93Å; V33-E46 PolarHBondContact O-N 3Å; A35-E46 HydrophobicContact CB-CG 3.99Å; E46-T48 PolarHBondContact O-N 3.16Å; E46-D62 WeakPolarHBondContact CG-OD1 3.19Å
47Q97.1Very high95.5Very high145 Ų14569.4 Ų69.468%0.67837%0.367SS*.EExtended strand (participates in β ladder)trans53.841.5178.4-55.8173.836.300112.5G61Q47-G61 PolarHBondContact N-O 3.34Å; Q47-G61 VanDerWaalsContact N-O 3.15Å
48T98.1Very high95.6Very high0 Ų070.7 Ų70.70%037%0.374CS..EExtended strand (participates in β ladder)trans-74.5127.6-167-56.20000112.3Y30 R31 I45 E46 K59 Y60 G61 A63Y30-T48 HydrophobicContact CD1-CG2 3.6Å; Y30-T48 HydrophobicContact CE1-CG2 4.48Å; Y30-T48 HydrophobicContact CG-CG2 4.42Å; R31-T48 CarbonylContact O-C 3.56Å; R31-T48 VanDerWaalsContact O-CA 3.31Å; R31-T48 WeakPolarHBondContact O-CA 3.44Å; I45-T48 HydrophobicContact CG2-CG2 3.96Å; I45-T48 WeakPolarHBondContact CG2-OG1 3.34Å; I45-T48 PolarHBondContact O-OG1 3.23Å; E46-T48 PolarHBondContact O-N 3.16Å; T48-K59 CarbonylContact O-C 3.54Å; T48-K59 WeakPolarHBondContact O-CA 3.21Å; T48-Y60 PolarHBondContact O-N 2.82Å; T48-G61 WeakPolarHBondContact CB-O 3.46Å; T48-G61 PolarHBondContact N-O 2.71Å; T48-G61 PolarHBondContact OG1-O 3Å; T48-A63 HydrophobicContact CG2-CB 4.13Å
49E98.2Very high96Very high47 Ų4774.6 Ų74.622%0.2239%0.388CS..EExtended strand (participates in β ladder)trans-113.5134.6171.7-65.2-171.3151.600110.4Y30 R31 Y51 L56 K59Y30-E49 CarbonylContact C-O 3.6Å; Y30-E49 WeakPolarHBondContact CA-O 3.47Å; R31-E49 PolarHBondContact N-O 3.3Å; R31-E49 PolarHBondContact O-N 3.35Å; E49-Y51 HydrophobicContact CB-CD2 4.29Å; E49-Y51 HydrophobicContact CB-CE2 3.54Å; E49-Y51 PolarHBondContact OE2-OH 3.08Å; E49-L56 HydrophobicContact CB-CD1 3.73Å; E49-L56 HydrophobicContact CG-CD1 4.09Å; E49-K59 HydrophobicContact CG-CD 4.31Å; E49-K59 HydrophobicContact CG-CG 4.21Å; E49-K59 VanDerWaalsContact OE1-CE 3.32Å; E49-K59 WeakPolarHBondContact OE1-CE 3.48Å; E49-K59 IonicContact OE1-NZ 2.74Å; E49-K59 PolarHBondContact OE1-NZ 3.09Å
50E98Very high96.3Very high14 Ų1476.2 Ų76.27%0.06537%0.371CS..EExtended strand (participates in β ladder)trans-99.7130.1177-178.9-172.4-106.800110.4V28 Y30 V52 K57 N58 Y60V28-E50 HydrophobicContact CG1-CG 3.65Å; Y30-E50 HydrophobicContact CD1-CB 4.48Å; Y30-E50 HydrophobicContact CE1-CB 4.22Å; Y30-E50 HydrophobicContact CE1-CG 4.27Å; Y30-E50 PolarHBondContact OH-OE1 2.85Å; E50-V52 HydrophobicContact CG-CG2 4.36Å; E50-K57 PolarHBondContact O-N 2.91Å; E50-K57 WeakPolarHBondContact OE2-CD 3.02Å; E50-N58 HydrophobicContact CB-CB 4.18Å; E50-N58 PolarHBondContact N-O 2.87Å; E50-N58 PolarHBondContact OE2-ND2 3.01Å; E50-Y60 HydrophobicContact CB-CD2 4.22Å; E50-Y60 HydrophobicContact CB-CE2 3.59Å; E50-Y60 VanDerWaalsContact CD-OH 3.28Å; E50-Y60 HydrophobicContact CG-CE2 4.14Å; E50-Y60 PolarHBondContact OE1-OH 3.16Å; E50-Y60 PolarHBondContact OE2-OH 3.33Å
51Y98.1Very high96.4Very high33 Ų3368.8 Ų68.813%0.12935%0.352CS..EExtended strand (participates in β ladder)trans-119.9126.4174.8-64.3-105.8000110.5D29 R31 E49 Q55 L56D29-Y51 PolarHBondContact N-O 3.12Å; D29-Y51 PolarHBondContact O-N 3.19Å; R31-Y51 HydrophobicContact CB-CD2 4.5Å; R31-Y51 HydrophobicContact CB-CE2 4.12Å; R31-Y51 VanDerWaalsContact CD-CE2 3.48Å; R31-Y51 HydrophobicContact CG-CD2 3.82Å; R31-Y51 HydrophobicContact CG-CE2 3.78Å; E49-Y51 HydrophobicContact CB-CD2 4.29Å; E49-Y51 HydrophobicContact CB-CE2 3.54Å; E49-Y51 PolarHBondContact OE2-OH 3.08Å; Y51-Q55 CarbonylContact C-O 3.54Å; Y51-Q55 WeakPolarHBondContact CA-O 3.34Å; Y51-L56 HydrophobicContact CD1-CB 4.27Å; Y51-L56 HydrophobicContact CE1-CB 3.9Å; Y51-L56 HydrophobicContact CE1-CD1 4.41Å; Y51-L56 HydrophobicContact CE2-CD1 4.05Å
52V96.6Very high96.5Very high46 Ų4670.7 Ų70.728%0.27936%0.363SS..EExtended strand (participates in β ladder)trans-117.5125.4173-176.20000107.3V28 E50 G54 Q55 K57V28-V52 HydrophobicContact CG1-CG2 4.28Å; V28-V52 HydrophobicContact CG2-CG2 4.27Å; E50-V52 HydrophobicContact CG-CG2 4.36Å; V52-G54 PolarHBondContact O-N 3.22Å; V52-Q55 PolarHBondContact N-O 3.44Å; V52-Q55 PolarHBondContact O-N 3.46Å; V52-Q55 VanDerWaalsContact O-N 3.09Å; V52-K57 HydrophobicContact CB-CD 4.22Å; V52-K57 HydrophobicContact CG2-CB 4.28Å; V52-K57 HydrophobicContact CG2-CD 3.59Å
53N93.1Very high96.6Very high158 Ų15868.6 Ų68.685%0.84536%0.355SS*.THydrogen-bonded Turntrans53.834.8-174.2-56.2-33.6000113.2Q55N53-Q55 PolarHBondContact O-N 2.89Å
54G91.1Very high96.6Very high49 Ų4977 Ų7751%0.50539%0.391SS..THydrogen-bonded Turntrans77.2-3179.600000115.4V52V52-G54 PolarHBondContact O-N 3.22Å
55Q95.9Very high96.6Very high151 Ų15177.1 Ų77.171%0.70639%0.39SS*.EExtended strand (participates in β ladder)trans-98.4137.7176.3-64.1-170.72.400111.1Y51 V52 N53 K57Y51-Q55 CarbonylContact C-O 3.54Å; Y51-Q55 WeakPolarHBondContact CA-O 3.34Å; V52-Q55 PolarHBondContact N-O 3.44Å; V52-Q55 PolarHBondContact O-N 3.46Å; V52-Q55 VanDerWaalsContact O-N 3.09Å; N53-Q55 PolarHBondContact O-N 2.89Å; Q55-K57 PolarHBondContact O-N 3.02Å
56L96.9Very high96.6Very high82 Ų8285.1 Ų85.143%0.42942%0.42SS..EExtended strand (participates in β ladder)trans-62.6122173.5177.767.9000108.9E49 Y51E49-L56 HydrophobicContact CB-CD1 3.73Å; E49-L56 HydrophobicContact CG-CD1 4.09Å; Y51-L56 HydrophobicContact CD1-CB 4.27Å; Y51-L56 HydrophobicContact CE1-CB 3.9Å; Y51-L56 HydrophobicContact CE1-CD1 4.41Å; Y51-L56 HydrophobicContact CE2-CD1 4.05Å
57K97.3Very high96.6Very high131 Ų13181.4 Ų81.457%0.5740%0.404SS*.EExtended strand (participates in β ladder)trans-106.3-46.9-180-169.5175.4175.7-173.50111.6E50 V52 Q55E50-K57 PolarHBondContact O-N 2.91Å; E50-K57 WeakPolarHBondContact OE2-CD 3.02Å; V52-K57 HydrophobicContact CB-CD 4.22Å; V52-K57 HydrophobicContact CG2-CB 4.28Å; V52-K57 HydrophobicContact CG2-CD 3.59Å; Q55-K57 PolarHBondContact O-N 3.02Å
58N96.9Very high96.6Very high64 Ų6478.8 Ų78.834%0.34239%0.394SS..EExtended strand (participates in β ladder)trans-145.9162-174.9-71.4-54.9000112.4E50 Y60E50-N58 HydrophobicContact CB-CB 4.18Å; E50-N58 PolarHBondContact N-O 2.87Å; E50-N58 PolarHBondContact OE2-ND2 3.01Å; N58-Y60 HydrophobicContact CB-CE1 4.02Å; N58-Y60 HydrophobicContact CB-CE2 3.98Å; N58-Y60 PolarHBondContact ND2-OH 2.81Å
59K97.7Very high96.5Very high142 Ų14282.2 Ų82.262%0.61741%0.412SS*.EExtended strand (participates in β ladder)trans-123.3127.8166.1-53.9-161.8-175.1-148.20109T48 E49T48-K59 CarbonylContact O-C 3.54Å; T48-K59 WeakPolarHBondContact O-CA 3.21Å; E49-K59 HydrophobicContact CG-CD 4.31Å; E49-K59 HydrophobicContact CG-CG 4.21Å; E49-K59 VanDerWaalsContact OE1-CE 3.32Å; E49-K59 WeakPolarHBondContact OE1-CE 3.48Å; E49-K59 IonicContact OE1-NZ 2.74Å; E49-K59 PolarHBondContact OE1-NZ 3.09Å
60Y94.9Very high96.5Very high111 Ų11180.5 Ų80.544%0.43541%0.405SS..EExtended strand (participates in β ladder)trans-110.2-10.6-173.4-63.7-63000113.7Y30 T48 E50 N58 D62Y30-Y60 HydrophobicContact CD1-CD2 4.47Å; Y30-Y60 AromaticContact CE1-CD2 3.91Å; Y30-Y60 HydrophobicContact CE1-CD2 3.91Å; Y30-Y60 AromaticContact CE1-CE2 3.73Å; Y30-Y60 HydrophobicContact CE1-CE2 3.73Å; T48-Y60 PolarHBondContact O-N 2.82Å; E50-Y60 HydrophobicContact CB-CD2 4.22Å; E50-Y60 HydrophobicContact CB-CE2 3.59Å; E50-Y60 VanDerWaalsContact CD-OH 3.28Å; E50-Y60 HydrophobicContact CG-CE2 4.14Å; E50-Y60 PolarHBondContact OE1-OH 3.16Å; E50-Y60 PolarHBondContact OE2-OH 3.33Å; N58-Y60 HydrophobicContact CB-CE1 4.02Å; N58-Y60 HydrophobicContact CB-CE2 3.98Å; N58-Y60 PolarHBondContact ND2-OH 2.81Å; Y60-D62 PolarHBondContact O-N 3.12Å
61G95.6Very high96.5Very high33 Ų3384.6 Ų84.634%0.3443%0.427SS..EExtended strand (participates in β ladder)trans69.1-121.1-17200000110.1Q47 T48Q47-G61 PolarHBondContact N-O 3.34Å; Q47-G61 VanDerWaalsContact N-O 3.15Å; T48-G61 WeakPolarHBondContact CB-O 3.46Å; T48-G61 PolarHBondContact N-O 2.71Å; T48-G61 PolarHBondContact OG1-O 3Å
62D95.8Very high96.3Very high123 Ų12387.9 Ų87.966%0.65844%0.44SS*.EExtended strand (participates in β ladder)trans-84.7123.7177.3-58.1-17.6000110I45 E46 Y60I45-D62 CarbonylContact O-C 3.59Å; I45-D62 WeakPolarHBondContact O-CA 3.38Å; E46-D62 WeakPolarHBondContact CG-OD1 3.19Å; Y60-D62 PolarHBondContact O-N 3.12Å
63A97.2Very high96.3Very high17 Ų1787 Ų8714%0.1443%0.434CS..EExtended strand (participates in β ladder)trans-133.8145.7-17600000112A44 I45 T48A44-A63 WeakPolarHBondContact CA-O 3.48Å; I45-A63 HydrophobicContact CG2-CB 4.07Å; I45-A63 WeakPolarHBondContact CG2-O 3.35Å; I45-A63 PolarHBondContact N-O 3.19Å; I45-A63 PolarHBondContact O-N 3.37Å; T48-A63 HydrophobicContact CG2-CB 4.13Å
64F97.3Very high96.3Very high177 Ų17781.6 Ų81.678%0.77641%0.408SS*.EExtended strand (participates in β ladder)trans-106.3123.5172.9-67.2-85.8000110.1I43 A44I43-F64 CarbonylContact O-C 3.48Å; I43-F64 VanDerWaalsContact O-CA 3.32Å; I43-F64 WeakPolarHBondContact O-CA 3.4Å; A44-F64 HydrophobicContact CB-CD1 3.95Å; A44-F64 HydrophobicContact CB-CE1 3.7Å; A44-F64 HydrophobicContact CB-CZ 4.45Å
65L97.4Very high96.4Very high15 Ų1581.8 Ų81.88%0.07940%0.399CS..EExtended strand (participates in β ladder)trans-105.3132.6176.2-54176.3000109.7V22 Y30 N42 I43 I45V22-L65 HydrophobicContact CB-CD1 3.84Å; V22-L65 HydrophobicContact CG1-CD1 3.69Å; V22-L65 HydrophobicContact CG2-CD1 4.2Å; Y30-L65 HydrophobicContact CD1-CD2 4.12Å; Y30-L65 HydrophobicContact CD2-CD1 4.38Å; Y30-L65 HydrophobicContact CD2-CD2 4.06Å; Y30-L65 HydrophobicContact CE1-CD2 4.21Å; Y30-L65 HydrophobicContact CE2-CD2 4.2Å; Y30-L65 HydrophobicContact CG-CD1 4.15Å; Y30-L65 HydrophobicContact CG-CD2 4.02Å; N42-L65 WeakPolarHBondContact CA-O 3.4Å; I43-L65 HydrophobicContact CB-CB 4.27Å; I43-L65 PolarHBondContact N-O 2.88Å; I43-L65 PolarHBondContact O-N 3.36Å; I45-L65 HydrophobicContact CG2-CD1 4.19Å; I45-L65 HydrophobicContact CG2-CG 4.27Å
66R97.8Very high96Very high170 Ų17078.8 Ų78.864%0.64239%0.385SS*.  trans-79.8125179.3-159.7-172.7166.4177-2.4110.4N68 N69R66-N68 VanDerWaalsContact C-N 3.33Å; R66-N68 WeakPolarHBondContact CB-OD1 3.23Å; R66-N68 WeakPolarHBondContact CD-OD1 3.47Å; R66-N68 WeakPolarHBondContact CG-OD1 3.3Å; R66-N68 PolarHBondContact NE-OD1 2.91Å; R66-N68 PolarHBondContact O-N 3.46Å; R66-N69 PolarHBondContact O-N 3.26Å
67G96.6Very high95Very high2 Ų283.4 Ų83.42%0.02140%0.402CS..G310 helixtrans-65.7-28.3-169.100000115.9Y40 M41 N42 N69 V70Y40-G67 WeakPolarHBondContact O-CA 3.42Å; M41-G67 WeakPolarHBondContact O-CA 3.39Å; N42-G67 PolarHBondContact OD1-N 3.28Å; G67-N69 PolarHBondContact O-N 3.1Å; G67-N69 VanDerWaalsContact O-N 3.16Å; G67-V70 WeakPolarHBondContact O-CB 3.41Å; G67-V70 PolarHBondContact O-N 3.04Å; G67-V70 VanDerWaalsContact O-N 3.09Å
68N97.4Very high93.3Very high89 Ų8988.3 Ų88.348%0.47642%0.417SS..G310 helixtrans-63.5-19.9174.271.6-41.8000113.6N25 R66N25-N68 PolarHBondContact ND2-O 3.17Å; R66-N68 VanDerWaalsContact C-N 3.33Å; R66-N68 WeakPolarHBondContact CB-OD1 3.23Å; R66-N68 WeakPolarHBondContact CD-OD1 3.47Å; R66-N68 WeakPolarHBondContact CG-OD1 3.3Å; R66-N68 PolarHBondContact NE-OD1 2.91Å; R66-N68 PolarHBondContact O-N 3.46Å
69N97.2Very high91.4Very high72 Ų7295.3 Ų95.339%0.38544%0.444SS..G310 helixtrans-97.7-4.2178.7-66.6-32.5000112.6L24 N25 R66 G67L24-N69 CarbonylContact C-O 3.6Å; L24-N69 WeakPolarHBondContact CA-O 3.25Å; N25-N69 PolarHBondContact N-O 3.37Å; R66-N69 PolarHBondContact O-N 3.26Å; G67-N69 PolarHBondContact O-N 3.1Å; G67-N69 VanDerWaalsContact O-N 3.16Å
70V97.4Very high89.1Confident11 Ų1198.4 Ų98.47%0.06747%0.474CS..EExtended strand (participates in β ladder)trans-78.9125.3-178.6176.20000109.4V22 L24 I43 G67 I73V22-V70 HydrophobicContact CG1-CG1 4Å; V22-V70 HydrophobicContact CG1-CG2 4.07Å; L24-V70 HydrophobicContact CD2-CG2 4.26Å; I43-V70 HydrophobicContact CD1-CG1 4.45Å; I43-V70 HydrophobicContact CD1-CG2 3.89Å; G67-V70 WeakPolarHBondContact O-CB 3.41Å; G67-V70 PolarHBondContact O-N 3.04Å; G67-V70 VanDerWaalsContact O-N 3.09Å; V70-I73 HydrophobicContact CG1-CG1 4.03Å
71L97.6Very high88.8Confident100 Ų10097.8 Ų97.852%0.52448%0.476SS..EExtended strand (participates in β ladder)trans-87.8-49.4173.2179.461.5000110.9K23K23-L71 HydrophobicContact CD-CD2 4.2Å; K23-L71 HydrophobicContact CG-CD2 4.34Å; K23-L71 WeakPolarHBondContact O-CB 3.45Å; K23-L71 PolarHBondContact O-N 3.16Å
72Y95.5Very high88.4Confident103 Ų103101.2 Ų101.240%0.40448%0.483SS..EExtended strand (participates in β ladder)trans-155.5162.7173.771.1-106.6000112.3V22 K23V22-Y72 WeakPolarHBondContact CA-O 3.46Å; K23-Y72 HydrophobicContact CB-CD1 3.86Å; K23-Y72 HydrophobicContact CB-CD2 4.36Å; K23-Y72 HydrophobicContact CB-CE1 3.51Å; K23-Y72 HydrophobicContact CB-CE2 4.02Å; K23-Y72 HydrophobicContact CB-CG 4.27Å; K23-Y72 HydrophobicContact CD-CD1 4.23Å; K23-Y72 HydrophobicContact CD-CE1 3.37Å; K23-Y72 HydrophobicContact CG-CE1 4.02Å; K23-Y72 PolarHBondContact N-O 3.03Å; K23-Y72 PolarHBondContact O-N 3.38Å
73I95Very high88Confident28 Ų2899.9 Ų99.914%0.14447%0.474CS..EExtended strand (participates in β ladder)trans-121.6133.9169.2-50.7170.9000107.9I15 V20 V22 I43 V70I15-I73 HydrophobicContact CD1-CG2 3.91Å; V20-I73 HydrophobicContact CB-CG2 4.22Å; V20-I73 HydrophobicContact CG1-CG2 4.26Å; V22-I73 HydrophobicContact CG1-CG1 4.5Å; V22-I73 HydrophobicContact CG2-CG1 4.45Å; V22-I73 HydrophobicContact CG2-CG2 4.35Å; I43-I73 HydrophobicContact CD1-CD1 3.6Å; I43-I73 HydrophobicContact CD1-CG1 3.98Å; I43-I73 HydrophobicContact CG1-CD1 4.27Å; V70-I73 HydrophobicContact CG1-CG1 4.03Å
74S94.1Very high87.5Confident43 Ų43104.8 Ų104.830%0.30149%0.493SS..EExtended strand (participates in β ladder)trans-136.2141.417667.70000111V20 V21 Q76V20-S74 CarbonylContact C-O 3.46Å; V20-S74 WeakPolarHBondContact CA-O 3.38Å; V20-S74 WeakPolarHBondContact CB-O 3.31Å; V21-S74 PolarHBondContact N-O 3.27Å; V21-S74 PolarHBondContact O-N 2.69Å; S74-Q76 PolarHBondContact O-N 3.39Å
75T93Very high86.9Confident53 Ų53100.3 Ų100.333%0.32548%0.476SS..EExtended strand (participates in β ladder)trans-70.1128.9172.753.70000109.8I15 K77I15-T75 HydrophobicContact CB-CG2 4.21Å; I15-T75 HydrophobicContact CG2-CG2 3.45Å; I15-T75 VanDerWaalsContact CG2-CG2 3.45Å; T75-K77 PolarHBondContact O-N 2.89Å
76Q86.4Confident86.2Confident89 Ų89106 Ų10642%0.41650%0.502SS..  trans-75.9108173.1-169.3177.811.900108.5P19 V21 S74 R78P19-Q76 HydrophobicContact CB-CB 4.02Å; P19-Q76 PolarHBondContact O-N 2.79Å; V21-Q76 HydrophobicContact CG2-CB 4.32Å; V21-Q76 HydrophobicContact CG2-CG 4.5Å; S74-Q76 PolarHBondContact O-N 3.39Å; Q76-R78 PolarHBondContact O-N 2.96Å
77K77.8Confident85.4Confident179 Ų179101.4 Ų101.478%0.77849%0.492SS*.  trans-69.9130.6172.6-68.4-175.2178.9-179.60108.6T75 K79T75-K77 PolarHBondContact O-N 2.89Å; K77-K79 PolarHBondContact O-N 3.01Å
78R60.4Low84.5Confident234 Ų234109.1 Ų109.188%0.88353%0.528SS*.  trans-58.9122.4162.6-80.7175.585.1167.44.2106.8Q76 V80Q76-R78 PolarHBondContact O-N 2.96Å; R78-V80 PolarHBondContact O-N 3.33Å; R78-V80 VanDerWaalsContact O-N 3.12Å
79K56.8Low83.4Confident210 Ų210110.8 Ų110.891%0.91353%0.533SS*.  trans-64.3110.3160.3-75.9-174.7175.7-177.50105.6K77K77-K79 PolarHBondContact O-N 3.01Å
80V49.6Very low82.2Confident207 Ų207114.3 Ų114.3100%1.25555%0.546SS*.  trans-75.80162.6-176.10000106.9R78R78-V80 PolarHBondContact O-N 3.33Å; R78-V80 VanDerWaalsContact O-N 3.12Å

Retrieved 80 of 80 residues in 120.4 ms (Link to these results)