A0A5K4F7H8_SCHMA Loading...

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 A0A5K4F7H8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 78 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
1M50.2Low77.8Confident241 Ų241124.7 Ų124.7100%1.18763%0.63SS**  0120.60-63.7174.9-168.400107H3M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.16Å
2A65.3Low78.6Confident102 Ų102125.8 Ų125.884%0.84363%0.627SS**  trans-60.8120.4176.400000108.2K4A2-K4 PolarHBondContact O-N 2.82Å
3H67.4Low79.4Confident162 Ų162123 Ų12375%0.7562%0.615SS**  trans-59.9109.8175.3-173.437000107.2M1 Q5M1-H3 PolarHBondContact O-N 3.26Å; M1-H3 VanDerWaalsContact O-N 3.16Å; H3-Q5 PolarHBondContact O-N 2.88Å
4K76.9Confident80.3Confident188 Ų188114.4 Ų114.482%0.81757%0.573SS**  trans-66.4101.7-177.3-167.1176.3-175.7179.40107.1A2 T6A2-K4 PolarHBondContact O-N 2.82Å; K4-T6 PolarHBondContact O-N 2.93Å; K4-T6 VanDerWaalsContact O-N 3.13Å
5Q80.6Confident81.3Confident141 Ų141111.4 Ų111.466%0.65956%0.562SS**  trans-57.3120.2176.7-73.5-176.5-35.700108.3H3H3-Q5 PolarHBondContact O-N 2.88Å
6T86.8Confident82.2Confident64 Ų64107.7 Ų107.739%0.39356%0.561SS.*  trans-80.5158.8174.370.60000109.4K4 R8 D9 F10K4-T6 PolarHBondContact O-N 2.93Å; K4-T6 VanDerWaalsContact O-N 3.13Å; T6-R8 PolarHBondContact O-N 3.38Å; T6-R8 PolarHBondContact OG1-N 2.86Å; T6-D9 WeakPolarHBondContact CB-OD2 3.44Å; T6-D9 WeakPolarHBondContact CG2-OD2 3.34Å; T6-D9 PolarHBondContact N-OD2 2.85Å; T6-D9 PolarHBondContact O-N 3.3Å; T6-D9 PolarHBondContact OG1-N 2.93Å; T6-D9 VanDerWaalsContact OG1-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 2.84Å; T6-F10 PolarHBondContact O-N 3.1Å; T6-F10 VanDerWaalsContact O-N 3.12Å
7P82.8Confident83Confident110 Ų110110 Ų11071%0.71456%0.56SS**Hα-helixtrans-52-37.6170.3-28.336000112.1D9 F10 L11P7-D9 VanDerWaalsContact C-N 3.34Å; P7-D9 PolarHBondContact O-N 2.8Å; P7-F10 WeakPolarHBondContact O-CB 3.18Å; P7-F10 PolarHBondContact O-N 3.26Å; P7-L11 WeakPolarHBondContact O-CG 3.46Å; P7-L11 PolarHBondContact O-N 3.26Å
8R84.4Confident83.7Confident183 Ų183108.2 Ų108.269%0.69156%0.557SS**Hα-helixtrans-64.2-36.5177.4-169.2177-174.8173.71.7112.9T6 L11 K12T6-R8 PolarHBondContact O-N 3.38Å; T6-R8 PolarHBondContact OG1-N 2.86Å; R8-L11 PolarHBondContact O-N 2.85Å; R8-K12 WeakPolarHBondContact O-CG 3.44Å; R8-K12 PolarHBondContact O-N 2.7Å; R8-K12 VanDerWaalsContact O-N 3.17Å
9D88.5Confident84.4Confident41 Ų41102.5 Ų102.522%0.21953%0.528CS..Hα-helixtrans-68.3-39.5175.8-57.7-44.8000110.7T6 P7 L11 K12 L13T6-D9 WeakPolarHBondContact CB-OD2 3.44Å; T6-D9 WeakPolarHBondContact CG2-OD2 3.34Å; T6-D9 PolarHBondContact N-OD2 2.85Å; T6-D9 PolarHBondContact O-N 3.3Å; T6-D9 PolarHBondContact OG1-N 2.93Å; T6-D9 VanDerWaalsContact OG1-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 2.84Å; P7-D9 VanDerWaalsContact C-N 3.34Å; P7-D9 PolarHBondContact O-N 2.8Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 2.94Å; D9-K12 PolarHBondContact O-N 2.91Å; D9-L13 WeakPolarHBondContact O-CG 3.15Å; D9-L13 PolarHBondContact O-N 2.87Å
10F85.5Confident85.1Confident86 Ų8698.3 Ų98.338%0.37751%0.507SS..Hα-helixtrans-59-44.6171.6173.5-104.2000111.9T6 P7 K12 L13 I14T6-F10 PolarHBondContact O-N 3.1Å; T6-F10 VanDerWaalsContact O-N 3.12Å; P7-F10 WeakPolarHBondContact O-CB 3.18Å; P7-F10 PolarHBondContact O-N 3.26Å; F10-K12 VanDerWaalsContact C-N 3.3Å; F10-K12 PolarHBondContact O-N 3.42Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 2.89Å; F10-I14 HydrophobicContact CD2-CG2 4.43Å; F10-I14 HydrophobicContact CE1-CD1 3.94Å; F10-I14 HydrophobicContact CE1-CG2 4.33Å; F10-I14 HydrophobicContact CE2-CG2 3.84Å; F10-I14 HydrophobicContact CZ-CD1 4.34Å; F10-I14 HydrophobicContact CZ-CG2 3.78Å; F10-I14 PolarHBondContact O-N 3.04Å
11L87.1Confident85.7Confident54 Ų5493.6 Ų93.628%0.28348%0.483SS..Hα-helixtrans-58.3-42.8177.8-60.6-170.1000111.9P7 R8 D9 L13 I14 V15 L36P7-L11 WeakPolarHBondContact O-CG 3.46Å; P7-L11 PolarHBondContact O-N 3.26Å; R8-L11 PolarHBondContact O-N 2.85Å; D9-L11 VanDerWaalsContact C-N 3.34Å; D9-L11 PolarHBondContact O-N 2.94Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.97Å; L11-I14 HydrophobicContact CD2-CD1 4.27Å; L11-I14 WeakPolarHBondContact O-CG1 3.3Å; L11-I14 PolarHBondContact O-N 2.8Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.1Å; L11-L36 HydrophobicContact CB-CD2 4.25Å; L11-L36 HydrophobicContact CD1-CD2 3.64Å; L11-L36 HydrophobicContact CD1-CG 4.11Å; L11-L36 HydrophobicContact CD2-CD2 3.34Å; L11-L36 HydrophobicContact CG-CD2 3.88Å
12K87.3Confident87.9Confident137 Ų13784.3 Ų84.360%0.59644%0.436SS*.Hα-helixtrans-61.8-32.6176.3-69.1174.5-178.3173.40112.9R8 D9 F10 I14R8-K12 WeakPolarHBondContact O-CG 3.44Å; R8-K12 PolarHBondContact O-N 2.7Å; R8-K12 VanDerWaalsContact O-N 3.17Å; D9-K12 PolarHBondContact O-N 2.91Å; F10-K12 VanDerWaalsContact C-N 3.3Å; F10-K12 PolarHBondContact O-N 3.42Å; K12-I14 VanDerWaalsContact C-N 3.31Å
13L89.4Confident89.5Confident90 Ų9080.6 Ų80.647%0.47140%0.402SS..Hα-helixtrans-70.9-27.2179.6-68.6172.8000113D9 F10 L11 R17D9-L13 WeakPolarHBondContact O-CG 3.15Å; D9-L13 PolarHBondContact O-N 2.87Å; F10-L13 WeakPolarHBondContact O-CB 3.48Å; F10-L13 PolarHBondContact O-N 2.89Å; L11-L13 VanDerWaalsContact C-N 3.25Å; L11-L13 PolarHBondContact O-N 2.97Å; L13-R17 VanDerWaalsContact O-CD 3.32Å; L13-R17 WeakPolarHBondContact O-CD 3.41Å; L13-R17 PolarHBondContact O-NE 2.69Å
14I92.2Very high91Very high3 Ų377.6 Ų77.62%0.01539%0.391CS..Hα-helixtrans-97.3-13.8-174.961.8165.1000114F10 L11 K12 R17 V19 L33 I72 T74F10-I14 HydrophobicContact CD2-CG2 4.43Å; F10-I14 HydrophobicContact CE1-CD1 3.94Å; F10-I14 HydrophobicContact CE1-CG2 4.33Å; F10-I14 HydrophobicContact CE2-CG2 3.84Å; F10-I14 HydrophobicContact CZ-CD1 4.34Å; F10-I14 HydrophobicContact CZ-CG2 3.78Å; F10-I14 PolarHBondContact O-N 3.04Å; L11-I14 HydrophobicContact CD2-CD1 4.27Å; L11-I14 WeakPolarHBondContact O-CG1 3.3Å; L11-I14 PolarHBondContact O-N 2.8Å; K12-I14 VanDerWaalsContact C-N 3.31Å; I14-R17 WeakPolarHBondContact O-CB 3.35Å; I14-R17 PolarHBondContact O-N 3.09Å; I14-R17 VanDerWaalsContact O-N 3.09Å; I14-V19 HydrophobicContact CB-CG1 4.39Å; I14-L33 HydrophobicContact CB-CD2 4.36Å; I14-L33 HydrophobicContact CD1-CD2 3.75Å; I14-L33 HydrophobicContact CG1-CD2 3.69Å; I14-I72 HydrophobicContact CD1-CG2 4.11Å; I14-T74 HydrophobicContact CG2-CG2 3.56Å
15V94.8Very high91.9Very high69 Ų6973.3 Ų73.342%0.41839%0.385SS..THydrogen-bonded Turntrans-60.8137.2170.6173.30000109.9L11 R17 L33L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.1Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 2.72Å; V15-L33 HydrophobicContact CG2-CD2 4.18Å; V15-L33 HydrophobicContact CG2-CG 4.43Å
16G95.8Very high92.6Very high52 Ų5268.1 Ų68.154%0.53637%0.369SS..THydrogen-bonded Turntrans77.24-173.500000114.5L33G16-L33 WeakPolarHBondContact CA-O 3.26Å; G16-L33 PolarHBondContact N-O 3.47Å
17R95.9Very high93.2Very high147 Ų14765.3 Ų65.356%0.55535%0.352SS*.SBendtrans-109.4154.4-179.1-56.9-168.9-177.3-122.4-5.4112.2L13 I14 V15 V19 L33L13-R17 VanDerWaalsContact O-CD 3.32Å; L13-R17 WeakPolarHBondContact O-CD 3.41Å; L13-R17 PolarHBondContact O-NE 2.69Å; I14-R17 WeakPolarHBondContact O-CB 3.35Å; I14-R17 PolarHBondContact O-N 3.09Å; I14-R17 VanDerWaalsContact O-N 3.09Å; V15-R17 VanDerWaalsContact C-N 3.26Å; V15-R17 PolarHBondContact O-N 2.72Å; R17-V19 PolarHBondContact O-N 3.28Å; R17-L33 PolarHBondContact O-N 2.86Å
18P96.6Very high93.9Very high77 Ų7761.2 Ų61.250%0.532%0.324SS..EExtended strand (participates in β ladder)trans-61.5126167.1-22.534.2000111.4G31 Q75P18-G31 WeakPolarHBondContact CA-O 3.29Å; P18-Q75 HydrophobicContact CB-CB 4.07Å; P18-Q75 HydrophobicContact CB-CG 3.99Å; P18-Q75 PolarHBondContact O-N 2.93Å; P18-Q75 VanDerWaalsContact O-N 3.16Å
19V96.9Very high94.5Very high0 Ų054 Ų540%030%0.297CS..EExtended strand (participates in β ladder)trans-126.6165.7178.6-62.50000111.2I14 R17 V21 R30 G31 L33 L44 I72 S73I14-V19 HydrophobicContact CB-CG1 4.39Å; R17-V19 PolarHBondContact O-N 3.28Å; V19-V21 HydrophobicContact CG2-CG2 4.22Å; V19-R30 WeakPolarHBondContact O-CA 3.44Å; V19-G31 PolarHBondContact N-O 2.97Å; V19-G31 PolarHBondContact O-N 2.93Å; V19-L33 HydrophobicContact CG1-CB 3.96Å; V19-L33 HydrophobicContact CG1-CD2 4.38Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; V19-L44 HydrophobicContact CG2-CD2 3.65Å; V19-I72 HydrophobicContact CB-CG2 4.28Å; V19-I72 HydrophobicContact CG1-CG2 4.5Å; V19-S73 CarbonylContact C-O 3.55Å; V19-S73 VanDerWaalsContact CA-O 3.29Å; V19-S73 WeakPolarHBondContact CA-O 3.4Å; V19-S73 WeakPolarHBondContact CB-O 3.39Å
20V97.2Very high95Very high18 Ų1855 Ų5511%0.10930%0.298CS..EExtended strand (participates in β ladder)trans-114.4127.9163.4-171.90000108.1D28 Y29 R30 I72 S73 Q75V20-D28 HydrophobicContact CG1-CB 3.99Å; V20-Y29 CarbonylContact C-O 3.58Å; V20-Y29 WeakPolarHBondContact CA-O 3.22Å; V20-R30 HydrophobicContact CG1-CG 4.33Å; V20-R30 HydrophobicContact CG2-CG 4.2Å; V20-I72 WeakPolarHBondContact O-CA 3.4Å; V20-S73 PolarHBondContact N-O 3.35Å; V20-S73 PolarHBondContact O-N 3.3Å; V20-Q75 HydrophobicContact CG2-CG 3.86Å
21V97.4Very high95.5Very high0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-109.2108.6172.3-176.70000107.4V19 L23 Y29 V42 L44 I64 V69 I72V19-V21 HydrophobicContact CG2-CG2 4.22Å; V21-L23 HydrophobicContact CG1-CD2 4.32Å; V21-Y29 PolarHBondContact N-O 3.32Å; V21-Y29 PolarHBondContact O-N 3.26Å; V21-V42 HydrophobicContact CG1-CG2 4.38Å; V21-V42 HydrophobicContact CG2-CG1 4.18Å; V21-V42 HydrophobicContact CG2-CG2 4.47Å; V21-L44 HydrophobicContact CG2-CD1 3.96Å; V21-L44 HydrophobicContact CG2-CD2 4.3Å; V21-I64 HydrophobicContact CB-CD1 4.09Å; V21-I64 HydrophobicContact CG1-CD1 3.89Å; V21-I64 HydrophobicContact CG2-CD1 4.48Å; V21-V69 HydrophobicContact CG1-CB 4.44Å; V21-V69 HydrophobicContact CG1-CG1 3.8Å; V21-V69 HydrophobicContact CG1-CG2 3.87Å; V21-I72 HydrophobicContact CG1-CG1 4.47Å; V21-I72 HydrophobicContact CG2-CG1 4.33Å; V21-I72 HydrophobicContact CG2-CG2 4.44Å
22K97.9Very high96Very high47 Ų4750.2 Ų50.220%0.20428%0.28CS..EExtended strand (participates in β ladder)trans-82.8127.5175.4-174.368.6166.5-1760108.6G26 D28 F70 Y71K22-G26 WeakPolarHBondContact CE-O 3.38Å; K22-G26 PolarHBondContact NZ-O 3.43Å; K22-D28 WeakPolarHBondContact CD-OD1 3.41Å; K22-D28 WeakPolarHBondContact CE-OD1 3.45Å; K22-D28 IonicContact NZ-OD1 2.68Å; K22-D28 PolarHBondContact NZ-OD1 2.86Å; K22-F70 HydrophobicContact CB-CB 4.33Å; K22-F70 HydrophobicContact CB-CD1 4.48Å; K22-F70 HydrophobicContact CG-CB 4.16Å; K22-F70 HydrophobicContact CG-CD1 3.94Å; K22-F70 WeakPolarHBondContact O-CB 3.48Å; K22-F70 PolarHBondContact O-N 3.17Å; K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.03Å; K22-Y71 HydrophobicContact CB-CE1 3.48Å; K22-Y71 VanDerWaalsContact CB-CE1 3.48Å; K22-Y71 HydrophobicContact CB-CE2 3.77Å; K22-Y71 HydrophobicContact CB-CG 4Å; K22-Y71 VanDerWaalsContact CB-CZ 3.48Å; K22-Y71 HydrophobicContact CD-CE1 4.43Å; K22-Y71 HydrophobicContact CG-CD1 4.12Å; K22-Y71 HydrophobicContact CG-CE1 3.6Å; K22-Y71 PolarHBondContact N-O 3.22Å; K22-Y71 PolarHBondContact O-N 3.12Å
23L98.1Very high96.5Very high24 Ų2443.7 Ų43.713%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-87.9155.8171.3-57.6-168.8000111.3V21 S25 G26 A27 Y29 I64 N68V21-L23 HydrophobicContact CG1-CD2 4.32Å; L23-S25 PolarHBondContact O-N 3.36Å; L23-S25 VanDerWaalsContact O-N 3.11Å; L23-G26 PolarHBondContact O-N 3.07Å; L23-A27 HydrophobicContact CD1-CB 4.48Å; L23-A27 PolarHBondContact N-O 2.9Å; L23-Y29 HydrophobicContact CD1-CD2 3.81Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CG-CD2 3.92Å; L23-Y29 HydrophobicContact CG-CE2 4.09Å; L23-I64 HydrophobicContact CD2-CG2 3.66Å; L23-N68 CarbonylContact C-O 3.52Å; L23-N68 VanDerWaalsContact CA-O 3.26Å; L23-N68 WeakPolarHBondContact CA-O 3.35Å; L23-N68 HydrophobicContact CD2-CB 4.49Å
24N97.9Very high96.9Very high98 Ų9842.5 Ų42.552%0.52425%0.245SC..THydrogen-bonded Turntrans-56.8-24.1173.3-67.7-33.2000112.9G26 N67 N68 F70N24-G26 VanDerWaalsContact C-N 3.25Å; N24-G26 PolarHBondContact O-N 2.86Å; N24-N67 PolarHBondContact ND2-O 3.17Å; N24-N67 VanDerWaalsContact ND2-O 3.15Å; N24-N68 PolarHBondContact N-O 3.45Å; N24-N68 PolarHBondContact ND2-O 3.13Å; N24-F70 WeakPolarHBondContact OD1-CB 3.36Å
25S96.5Very high97Very high98 Ų9845.4 Ų45.469%0.68527%0.265SS*.THydrogen-bonded Turntrans-74.1-10.8175.759.30000114.3L23L23-S25 PolarHBondContact O-N 3.36Å; L23-S25 VanDerWaalsContact O-N 3.11Å
26G96.5Very high97Very high32 Ų3243.5 Ų43.533%0.3325%0.252SS..SBendtrans93-4.6-172.900000114.6K22 L23 N24K22-G26 WeakPolarHBondContact CE-O 3.38Å; K22-G26 PolarHBondContact NZ-O 3.43Å; L23-G26 PolarHBondContact O-N 3.07Å; N24-G26 VanDerWaalsContact C-N 3.25Å; N24-G26 PolarHBondContact O-N 2.86Å
27A97.9Very high96.8Very high5 Ų544 Ų444%0.04124%0.243CC..PPolyproline II helixtrans-74.6141.6174.400000111.8L23 Y29 I51L23-A27 HydrophobicContact CD1-CB 4.48Å; L23-A27 PolarHBondContact N-O 2.9Å; A27-Y29 HydrophobicContact CB-CD2 4.44Å; A27-Y29 HydrophobicContact CB-CE2 4Å; A27-I51 HydrophobicContact CB-CG1 4.32Å
28D97.7Very high96.6Very high25 Ų2540.9 Ų40.913%0.13426%0.257CS..EExtended strand (participates in β ladder)trans-103.9125.4172.8-57.4-18.5000109.5V20 K22 R30 E49 Y50V20-D28 HydrophobicContact CG1-CB 3.99Å; K22-D28 WeakPolarHBondContact CD-OD1 3.41Å; K22-D28 WeakPolarHBondContact CE-OD1 3.45Å; K22-D28 IonicContact NZ-OD1 2.68Å; K22-D28 PolarHBondContact NZ-OD1 2.86Å; D28-R30 IonicContact OD2-NH2 3.97Å; D28-E49 WeakPolarHBondContact O-CA 2.97Å; D28-Y50 PolarHBondContact N-O 2.85Å; D28-Y50 PolarHBondContact O-N 3.06Å
29Y98.1Very high96.4Very high30 Ų3046.3 Ų46.312%0.11827%0.269CS..EExtended strand (participates in β ladder)trans-103.8122.2170.4-78.4-111.8000108.4V20 V21 L23 A27 T47 E48 E49 Y59 T62 I64V20-Y29 CarbonylContact C-O 3.58Å; V20-Y29 WeakPolarHBondContact CA-O 3.22Å; V21-Y29 PolarHBondContact N-O 3.32Å; V21-Y29 PolarHBondContact O-N 3.26Å; L23-Y29 HydrophobicContact CD1-CD2 3.81Å; L23-Y29 HydrophobicContact CD1-CE2 3.47Å; L23-Y29 VanDerWaalsContact CD1-CE2 3.47Å; L23-Y29 HydrophobicContact CG-CD2 3.92Å; L23-Y29 HydrophobicContact CG-CE2 4.09Å; A27-Y29 HydrophobicContact CB-CD2 4.44Å; A27-Y29 HydrophobicContact CB-CE2 4Å; Y29-T47 HydrophobicContact CD1-CG2 3.71Å; Y29-T47 HydrophobicContact CG-CG2 4.49Å; Y29-E48 WeakPolarHBondContact CA-O 3.11Å; Y29-E49 HydrophobicContact CE1-CB 4.25Å; Y29-E49 HydrophobicContact CE2-CB 4.39Å; Y29-E49 HydrophobicContact CE2-CG 3.99Å; Y29-E49 VanDerWaalsContact OH-CD 3.28Å; Y29-E49 PolarHBondContact OH-OE1 3.24Å; Y29-Y59 HydrophobicContact CE1-CD2 4.03Å; Y29-Y59 AromaticContact CE1-CE2 3.95Å; Y29-Y59 HydrophobicContact CE1-CE2 3.95Å; Y29-T62 HydrophobicContact CD1-CG2 4.27Å; Y29-T62 HydrophobicContact CE1-CG2 4.33Å; Y29-I64 HydrophobicContact CD1-CD1 4Å; Y29-I64 HydrophobicContact CG-CD1 3.86Å
30R97.5Very high96.2Very high64 Ų6449.8 Ų49.824%0.24229%0.286CS..EExtended strand (participates in β ladder)trans-113.6126.9-178.5-59.2-173.7-168.9174.1-2.8108.3V19 V20 D28 T47 E48 Y50 Q75V19-R30 WeakPolarHBondContact O-CA 3.44Å; V20-R30 HydrophobicContact CG1-CG 4.33Å; V20-R30 HydrophobicContact CG2-CG 4.2Å; D28-R30 IonicContact OD2-NH2 3.97Å; R30-T47 CarbonylContact O-C 3.59Å; R30-T47 VanDerWaalsContact O-CA 3.29Å; R30-T47 WeakPolarHBondContact O-CA 3.26Å; R30-E48 PolarHBondContact N-O 3.17Å; R30-E48 PolarHBondContact O-N 2.8Å; R30-Y50 HydrophobicContact CB-CD2 4.45Å; R30-Y50 HydrophobicContact CB-CE2 4.16Å; R30-Y50 HydrophobicContact CG-CD2 3.88Å; R30-Y50 HydrophobicContact CG-CE2 3.91Å; R30-Q75 VanDerWaalsContact CD-NE2 3.31Å
31G97.6Very high96.2Very high8 Ų850.7 Ų50.78%0.08229%0.29CS..EExtended strand (participates in β ladder)trans-172.7176.8-177.800000112P18 V19 E45P18-G31 WeakPolarHBondContact CA-O 3.29Å; V19-G31 PolarHBondContact N-O 2.97Å; V19-G31 PolarHBondContact O-N 2.93Å; G31-E45 CarbonylContact C-O 3.58Å; G31-E45 WeakPolarHBondContact CA-O 3.11Å
32V97.4Very high96.2Very high31 Ų3150.7 Ų50.719%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-82.6122.5173.7-178.30000108.6I34 L44 E45V32-I34 HydrophobicContact CG1-CD1 4.11Å; V32-I34 PolarHBondContact O-N 2.83Å; V32-L44 CarbonylContact O-C 3.45Å; V32-L44 VanDerWaalsContact O-CA 3.3Å; V32-L44 WeakPolarHBondContact O-CA 3.49Å; V32-E45 HydrophobicContact CB-CB 4.39Å; V32-E45 PolarHBondContact N-O 3.42Å; V32-E45 PolarHBondContact O-N 2.77Å
33L97.6Very high96.2Very high0 Ų051 Ų510%030%0.296CS..EExtended strand (participates in β ladder)trans-71.6116.1179-179.662.2000111.1I14 V15 G16 R17 V19 S35 L36 V42 L44I14-L33 HydrophobicContact CB-CD2 4.36Å; I14-L33 HydrophobicContact CD1-CD2 3.75Å; I14-L33 HydrophobicContact CG1-CD2 3.69Å; V15-L33 HydrophobicContact CG2-CD2 4.18Å; V15-L33 HydrophobicContact CG2-CG 4.43Å; G16-L33 WeakPolarHBondContact CA-O 3.26Å; G16-L33 PolarHBondContact N-O 3.47Å; R17-L33 PolarHBondContact O-N 2.86Å; V19-L33 HydrophobicContact CG1-CB 3.96Å; V19-L33 HydrophobicContact CG1-CD2 4.38Å; V19-L33 HydrophobicContact CG2-CB 3.86Å; L33-S35 WeakPolarHBondContact CD1-O 3.45Å; L33-L36 HydrophobicContact CD1-CB 4.31Å; L33-L36 HydrophobicContact CD2-CB 4.49Å; L33-V42 HydrophobicContact CD1-CG1 3.34Å; L33-L44 HydrophobicContact CB-CD2 4.38Å; L33-L44 HydrophobicContact CD1-CD2 4.1Å
34I97.4Very high96.2Very high64 Ų6449.9 Ų49.933%0.32829%0.29SS..EExtended strand (participates in β ladder)trans-95.4-45.6177.5-56.3-51.8000111.4V32 V43 E45V32-I34 HydrophobicContact CG1-CD1 4.11Å; V32-I34 PolarHBondContact O-N 2.83Å; I34-V43 HydrophobicContact CB-CB 4.25Å; I34-V43 HydrophobicContact CB-CG1 4.02Å; I34-V43 HydrophobicContact CG2-CG1 4.41Å; I34-V43 PolarHBondContact N-O 2.8Å; I34-E45 HydrophobicContact CD1-CB 4.06Å; I34-E45 HydrophobicContact CD1-CG 3.85Å; I34-E45 HydrophobicContact CG1-CB 4Å; I34-E45 HydrophobicContact CG1-CG 3.57Å
35S95.3Very high96.2Very high64 Ų6448.8 Ų48.845%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-148.8148.9-178.6-1710000111.5L33 V43L33-S35 WeakPolarHBondContact CD1-O 3.45Å; S35-V43 PolarHBondContact N-O 3Å; S35-V43 PolarHBondContact O-N 3.11Å
36L94.1Very high96.2Very high29 Ų2951.1 Ų51.115%0.15228%0.282CS..EExtended strand (participates in β ladder)trans-147.7133.2177.5178.263.5000109.4L11 L33 M40 N41 V42 I72L11-L36 HydrophobicContact CB-CD2 4.25Å; L11-L36 HydrophobicContact CD1-CD2 3.64Å; L11-L36 HydrophobicContact CD1-CG 4.11Å; L11-L36 HydrophobicContact CD2-CD2 3.34Å; L11-L36 HydrophobicContact CG-CD2 3.88Å; L33-L36 HydrophobicContact CD1-CB 4.31Å; L33-L36 HydrophobicContact CD2-CB 4.49Å; L36-M40 HydrophobicContact CD1-CB 4.48Å; L36-N41 WeakPolarHBondContact CA-O 3.42Å; L36-V42 HydrophobicContact CD1-CG2 4Å; L36-I72 HydrophobicContact CD1-CD1 3.64Å; L36-I72 HydrophobicContact CD2-CD1 3.86Å; L36-I72 HydrophobicContact CG-CD1 4.44Å
37D92Very high96.3Very high62 Ų6249.6 Ų49.633%0.33227%0.266SS..  trans-112.2178.9177.47415.2000113.5Y39 M40 N41D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.48Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.4Å; D37-Y39 PolarHBondContact OD1-N 3.22Å; D37-M40 PolarHBondContact O-N 3.15Å; D37-M40 PolarHBondContact OD1-N 2.9Å; D37-M40 VanDerWaalsContact OD1-N 3.07Å; D37-N41 PolarHBondContact N-O 2.81Å; D37-N41 PolarHBondContact OD1-N 3.49Å; D37-N41 PolarHBondContact OD1-ND2 3.03Å; D37-N41 WeakPolarHBondContact OD2-CB 3.45Å; D37-N41 PolarHBondContact OD2-ND2 2.86Å
38G90.1Very high96.3Very high83 Ų8351.7 Ų51.786%0.85628%0.275SS*.THydrogen-bonded Turntrans-69.6-9.9179.500000115
39Y92.9Very high96.4Very high190 Ų19051.6 Ų51.675%0.74527%0.274SS*.THydrogen-bonded Turntrans-97.45.5172.1-62.5-72.5000112D37 N41 G66D37-Y39 PolarHBondContact O-N 3.06Å; D37-Y39 WeakPolarHBondContact OD1-CA 3.48Å; D37-Y39 WeakPolarHBondContact OD1-CB 3.4Å; D37-Y39 PolarHBondContact OD1-N 3.22Å; Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.33Å; Y39-G66 VanDerWaalsContact O-CA 3.32Å; Y39-G66 WeakPolarHBondContact O-CA 3.34Å
40M93.3Very high96.4Very high74 Ų7451.8 Ų51.837%0.36527%0.274SS..  trans64.222.5-174.8-56.118060.200114.3L36 D37 V42 G66 V69 I72L36-M40 HydrophobicContact CD1-CB 4.48Å; D37-M40 PolarHBondContact O-N 3.15Å; D37-M40 PolarHBondContact OD1-N 2.9Å; D37-M40 VanDerWaalsContact OD1-N 3.07Å; M40-V42 VanDerWaalsContact O-CG2 3.26Å; M40-V42 WeakPolarHBondContact O-CG2 3.35Å; M40-V42 PolarHBondContact O-N 3.32Å; M40-G66 WeakPolarHBondContact O-CA 3.41Å; M40-V69 HydrophobicContact CE-CB 4.06Å; M40-V69 HydrophobicContact CE-CG1 3.52Å; M40-I72 HydrophobicContact CE-CD1 4.42Å; M40-I72 HydrophobicContact CE-CG1 4.4Å
41N96.5Very high96.4Very high37 Ų3751.9 Ų51.920%0.19828%0.279CS..  trans-66.9131.9168.6-60.6-54000109L36 D37 Y39 F63 I64 G66L36-N41 WeakPolarHBondContact CA-O 3.42Å; D37-N41 PolarHBondContact N-O 2.81Å; D37-N41 PolarHBondContact OD1-N 3.49Å; D37-N41 PolarHBondContact OD1-ND2 3.03Å; D37-N41 WeakPolarHBondContact OD2-CB 3.45Å; D37-N41 PolarHBondContact OD2-ND2 2.86Å; Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.33Å; N41-F63 HydrophobicContact CB-CE2 3.89Å; N41-F63 HydrophobicContact CB-CZ 4.01Å; N41-I64 WeakPolarHBondContact CA-O 3.29Å; N41-G66 PolarHBondContact OD1-N 3.19Å
42V97.3Very high96.2Very high0 Ų058.8 Ų58.80%031%0.314CS..EExtended strand (participates in β ladder)trans-119.6132.9-172.8-162.20000110V21 L33 L36 M40 L44 F63 I64 V69 I72V21-V42 HydrophobicContact CG1-CG2 4.38Å; V21-V42 HydrophobicContact CG2-CG1 4.18Å; V21-V42 HydrophobicContact CG2-CG2 4.47Å; L33-V42 HydrophobicContact CD1-CG1 3.34Å; L36-V42 HydrophobicContact CD1-CG2 4Å; M40-V42 VanDerWaalsContact O-CG2 3.26Å; M40-V42 WeakPolarHBondContact O-CG2 3.35Å; M40-V42 PolarHBondContact O-N 3.32Å; V42-L44 HydrophobicContact CG1-CD2 3.66Å; V42-L44 HydrophobicContact CG1-CG 3.88Å; V42-F63 CarbonylContact O-C 3.58Å; V42-F63 WeakPolarHBondContact O-CA 3.32Å; V42-I64 HydrophobicContact CB-CB 4.21Å; V42-I64 PolarHBondContact N-O 3.43Å; V42-I64 PolarHBondContact O-N 3.03Å; V42-V69 HydrophobicContact CG2-CG2 4.15Å; V42-I72 HydrophobicContact CG2-CD1 3.93Å
43V98.1Very high96Very high53 Ų5359.8 Ų59.832%0.32133%0.331SS..EExtended strand (participates in β ladder)trans-106.7120.7163.2-177.40000107.6I34 S35 T62 F63I34-V43 HydrophobicContact CB-CB 4.25Å; I34-V43 HydrophobicContact CB-CG1 4.02Å; I34-V43 HydrophobicContact CG2-CG1 4.41Å; I34-V43 PolarHBondContact N-O 2.8Å; S35-V43 PolarHBondContact N-O 3Å; S35-V43 PolarHBondContact O-N 3.11Å; V43-T62 WeakPolarHBondContact CA-O 3.36Å; V43-F63 HydrophobicContact CG2-CD2 4.13Å
44L98.4Very high96Very high0 Ų065.5 Ų65.50%036%0.358CS..EExtended strand (participates in β ladder)trans-113.5148.3175-62.4-178.5000110.3V19 V21 V32 L33 V42 T47 D61 T62 I64V19-L44 HydrophobicContact CG2-CD2 3.65Å; V21-L44 HydrophobicContact CG2-CD1 3.96Å; V21-L44 HydrophobicContact CG2-CD2 4.3Å; V32-L44 CarbonylContact O-C 3.45Å; V32-L44 VanDerWaalsContact O-CA 3.3Å; V32-L44 WeakPolarHBondContact O-CA 3.49Å; L33-L44 HydrophobicContact CB-CD2 4.38Å; L33-L44 HydrophobicContact CD1-CD2 4.1Å; V42-L44 HydrophobicContact CG1-CD2 3.66Å; V42-L44 HydrophobicContact CG1-CG 3.88Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.48Å; L44-T47 HydrophobicContact CD1-CG2 3.94Å; L44-D61 CarbonylContact O-C 3.55Å; L44-D61 WeakPolarHBondContact O-CA 3.39Å; L44-T62 PolarHBondContact N-O 3.19Å; L44-T62 PolarHBondContact O-N 2.97Å; L44-I64 HydrophobicContact CD1-CD1 3.88Å
45E98.1Very high96Very high76 Ų7666.3 Ų66.336%0.35536%0.362SS..EExtended strand (participates in β ladder)trans-112.4158.8165.8-83.9174.4-161.400110.6G31 V32 I34 T47 G60G31-E45 CarbonylContact C-O 3.58Å; G31-E45 WeakPolarHBondContact CA-O 3.11Å; V32-E45 HydrophobicContact CB-CB 4.39Å; V32-E45 PolarHBondContact N-O 3.42Å; V32-E45 PolarHBondContact O-N 2.77Å; I34-E45 HydrophobicContact CD1-CB 4.06Å; I34-E45 HydrophobicContact CD1-CG 3.85Å; I34-E45 HydrophobicContact CG1-CB 4Å; I34-E45 HydrophobicContact CG1-CG 3.57Å; E45-T47 PolarHBondContact O-N 3.29Å; E45-G60 CarbonylContact C-O 3.58Å
46Q97.3Very high96.1Very high147 Ų14767.7 Ų67.769%0.68736%0.36SS*.EExtended strand (participates in β ladder)trans52.141.9179.8-58.2174.346.100112.1G60Q46-G60 PolarHBondContact N-O 2.86Å; Q46-G60 VanDerWaalsContact N-O 3.1Å
47T98.3Very high96.3Very high0 Ų070 Ų700%037%0.372CS..EExtended strand (participates in β ladder)trans-78.8132-167.2-49.70000112.4Y29 R30 L44 E45 K58 Y59 G60 T62Y29-T47 HydrophobicContact CD1-CG2 3.71Å; Y29-T47 HydrophobicContact CG-CG2 4.49Å; R30-T47 CarbonylContact O-C 3.59Å; R30-T47 VanDerWaalsContact O-CA 3.29Å; R30-T47 WeakPolarHBondContact O-CA 3.26Å; L44-T47 HydrophobicContact CB-CG2 4.33Å; L44-T47 WeakPolarHBondContact CB-OG1 3.48Å; L44-T47 HydrophobicContact CD1-CG2 3.94Å; E45-T47 PolarHBondContact O-N 3.29Å; T47-K58 CarbonylContact O-C 3.55Å; T47-K58 WeakPolarHBondContact O-CA 3.48Å; T47-Y59 PolarHBondContact O-N 2.77Å; T47-G60 WeakPolarHBondContact CB-O 3.18Å; T47-G60 PolarHBondContact N-O 2.71Å; T47-G60 PolarHBondContact OG1-O 2.68Å; T47-T62 VanDerWaalsContact CB-OG1 3.26Å; T47-T62 WeakPolarHBondContact CB-OG1 3.45Å; T47-T62 HydrophobicContact CG2-CG2 4.17Å; T47-T62 WeakPolarHBondContact OG1-CB 3.47Å; T47-T62 PolarHBondContact OG1-OG1 3.34Å
48E98.1Very high96.6Very high49 Ų4973.6 Ų73.623%0.22939%0.385CS..EExtended strand (participates in β ladder)trans-120.4134.8174.4-63.7-172.6152.600110.1Y29 R30 Y50 L55 N57 K58Y29-E48 WeakPolarHBondContact CA-O 3.11Å; R30-E48 PolarHBondContact N-O 3.17Å; R30-E48 PolarHBondContact O-N 2.8Å; E48-Y50 HydrophobicContact CB-CD2 4.35Å; E48-Y50 HydrophobicContact CB-CE2 3.65Å; E48-Y50 PolarHBondContact OE2-OH 3.22Å; E48-L55 HydrophobicContact CB-CD1 3.77Å; E48-L55 HydrophobicContact CG-CD1 4.19Å; E48-N57 WeakPolarHBondContact CA-O 3.26Å; E48-K58 HydrophobicContact CG-CD 4.26Å; E48-K58 HydrophobicContact CG-CG 4.14Å; E48-K58 WeakPolarHBondContact OE1-CE 3.23Å; E48-K58 IonicContact OE1-NZ 2.7Å; E48-K58 PolarHBondContact OE1-NZ 3.45Å
49E98.3Very high96.8Very high22 Ų2274.7 Ų74.710%0.10336%0.364CS..EExtended strand (participates in β ladder)trans-100.5132.1176.9170.9179.9-130.300110.6D28 Y29 K56 N57 Y59D28-E49 WeakPolarHBondContact O-CA 2.97Å; Y29-E49 HydrophobicContact CE1-CB 4.25Å; Y29-E49 HydrophobicContact CE2-CB 4.39Å; Y29-E49 HydrophobicContact CE2-CG 3.99Å; Y29-E49 VanDerWaalsContact OH-CD 3.28Å; Y29-E49 PolarHBondContact OH-OE1 3.24Å; E49-K56 HydrophobicContact CG-CB 4.42Å; E49-K56 PolarHBondContact O-N 2.89Å; E49-N57 HydrophobicContact CB-CB 4.37Å; E49-N57 PolarHBondContact N-O 3.33Å; E49-N57 PolarHBondContact OE2-ND2 2.93Å; E49-N57 VanDerWaalsContact OE2-ND2 3.1Å; E49-Y59 HydrophobicContact CB-CD2 4.35Å; E49-Y59 HydrophobicContact CB-CE2 3.71Å; E49-Y59 HydrophobicContact CG-CE2 4.48Å; E49-Y59 WeakPolarHBondContact OE2-CE2 3.34Å; E49-Y59 PolarHBondContact OE2-OH 3.11Å
50Y98.2Very high96.9Very high34 Ų3467.1 Ų67.113%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-122.5135.4175.4-64.5-105.5000110.9D28 R30 E48 Q54 L55D28-Y50 PolarHBondContact N-O 2.85Å; D28-Y50 PolarHBondContact O-N 3.06Å; R30-Y50 HydrophobicContact CB-CD2 4.45Å; R30-Y50 HydrophobicContact CB-CE2 4.16Å; R30-Y50 HydrophobicContact CG-CD2 3.88Å; R30-Y50 HydrophobicContact CG-CE2 3.91Å; E48-Y50 HydrophobicContact CB-CD2 4.35Å; E48-Y50 HydrophobicContact CB-CE2 3.65Å; E48-Y50 PolarHBondContact OE2-OH 3.22Å; Y50-Q54 VanDerWaalsContact CA-O 3.23Å; Y50-Q54 WeakPolarHBondContact CA-O 3.49Å; Y50-L55 HydrophobicContact CD1-CB 4.24Å; Y50-L55 HydrophobicContact CE1-CB 3.9Å; Y50-L55 HydrophobicContact CE1-CD1 4.38Å; Y50-L55 HydrophobicContact CE2-CD1 4.07Å
51I97.6Very high97.1Very high66 Ų6669.9 Ų69.934%0.33836%0.36SS..EExtended strand (participates in β ladder)trans-124.6127.3170.4-57.8179.8000106.6A27 G53 Q54 K56A27-I51 HydrophobicContact CB-CG1 4.32Å; I51-G53 PolarHBondContact O-N 2.98Å; I51-Q54 PolarHBondContact N-O 3.36Å; I51-Q54 PolarHBondContact O-N 3.16Å; I51-K56 HydrophobicContact CB-CG 3.9Å; I51-K56 HydrophobicContact CD1-CG 4.02Å; I51-K56 HydrophobicContact CG1-CG 3.85Å
52D94.5Very high97.2Very high154 Ų15469.1 Ų69.182%0.82436%0.357SS*.THydrogen-bonded Turntrans51.937.6-175.7-55-40.4000113.3Q54D52-Q54 PolarHBondContact O-N 2.85Å
53G93.2Very high97.2Very high52 Ų5275.5 Ų75.554%0.53639%0.385SS..THydrogen-bonded Turntrans74.7-2.2-17900000115.2I51I51-G53 PolarHBondContact O-N 2.98Å
54Q97.5Very high97.2Very high120 Ų12073.4 Ų73.456%0.56137%0.372SS*.EExtended strand (participates in β ladder)trans-94.7132.9176.3-62.6-175.9-3.800111.2Y50 I51 D52 K56Y50-Q54 VanDerWaalsContact CA-O 3.23Å; Y50-Q54 WeakPolarHBondContact CA-O 3.49Å; I51-Q54 PolarHBondContact N-O 3.36Å; I51-Q54 PolarHBondContact O-N 3.16Å; D52-Q54 PolarHBondContact O-N 2.85Å; Q54-K56 PolarHBondContact O-N 2.84Å
55L97.5Very high97.2Very high80 Ų8081.1 Ų81.142%0.41940%0.401SS..EExtended strand (participates in β ladder)trans-62.1124.6172178.567.3000109.6E48 Y50E48-L55 HydrophobicContact CB-CD1 3.77Å; E48-L55 HydrophobicContact CG-CD1 4.19Å; Y50-L55 HydrophobicContact CD1-CB 4.24Å; Y50-L55 HydrophobicContact CE1-CB 3.9Å; Y50-L55 HydrophobicContact CE1-CD1 4.38Å; Y50-L55 HydrophobicContact CE2-CD1 4.07Å
56K97.7Very high97.2Very high93 Ų9377.8 Ų77.840%0.40439%0.387SS..EExtended strand (participates in β ladder)trans-107.1-46178-62.9-53.6-175-172.70112.3E49 I51 Q54E49-K56 HydrophobicContact CG-CB 4.42Å; E49-K56 PolarHBondContact O-N 2.89Å; I51-K56 HydrophobicContact CB-CG 3.9Å; I51-K56 HydrophobicContact CD1-CG 4.02Å; I51-K56 HydrophobicContact CG1-CG 3.85Å; Q54-K56 PolarHBondContact O-N 2.84Å
57N97.6Very high97.2Very high77 Ų7775.2 Ų75.241%0.41238%0.378SS..EExtended strand (participates in β ladder)trans-147.9163.3-175.8-72.7-55000112.6E48 E49 Y59E48-N57 WeakPolarHBondContact CA-O 3.26Å; E49-N57 HydrophobicContact CB-CB 4.37Å; E49-N57 PolarHBondContact N-O 3.33Å; E49-N57 PolarHBondContact OE2-ND2 2.93Å; E49-N57 VanDerWaalsContact OE2-ND2 3.1Å; N57-Y59 HydrophobicContact CB-CD2 4.31Å; N57-Y59 HydrophobicContact CB-CE1 4.06Å; N57-Y59 HydrophobicContact CB-CE2 3.59Å; N57-Y59 VanDerWaalsContact CB-CZ 3.43Å; N57-Y59 WeakPolarHBondContact CB-OH 3.34Å; N57-Y59 PolarHBondContact ND2-OH 2.95Å
58K98.2Very high97.2Very high139 Ų13978.8 Ų78.860%0.60440%0.397SS*.EExtended strand (participates in β ladder)trans-126.4128.9168.3-51.8-161.4-176.6-151.70109T47 E48T47-K58 CarbonylContact O-C 3.55Å; T47-K58 WeakPolarHBondContact O-CA 3.48Å; E48-K58 HydrophobicContact CG-CD 4.26Å; E48-K58 HydrophobicContact CG-CG 4.14Å; E48-K58 WeakPolarHBondContact OE1-CE 3.23Å; E48-K58 IonicContact OE1-NZ 2.7Å; E48-K58 PolarHBondContact OE1-NZ 3.45Å
59Y93.9Very high97.1Very high106 Ų10677 Ų7742%0.41639%0.389SS..EExtended strand (participates in β ladder)trans-116-13.8-172.4-63.1-69.9000113.5Y29 T47 E49 N57 D61 T62Y29-Y59 HydrophobicContact CE1-CD2 4.03Å; Y29-Y59 AromaticContact CE1-CE2 3.95Å; Y29-Y59 HydrophobicContact CE1-CE2 3.95Å; T47-Y59 PolarHBondContact O-N 2.77Å; E49-Y59 HydrophobicContact CB-CD2 4.35Å; E49-Y59 HydrophobicContact CB-CE2 3.71Å; E49-Y59 HydrophobicContact CG-CE2 4.48Å; E49-Y59 WeakPolarHBondContact OE2-CE2 3.34Å; E49-Y59 PolarHBondContact OE2-OH 3.11Å; N57-Y59 HydrophobicContact CB-CD2 4.31Å; N57-Y59 HydrophobicContact CB-CE1 4.06Å; N57-Y59 HydrophobicContact CB-CE2 3.59Å; N57-Y59 VanDerWaalsContact CB-CZ 3.43Å; N57-Y59 WeakPolarHBondContact CB-OH 3.34Å; N57-Y59 PolarHBondContact ND2-OH 2.95Å; Y59-D61 PolarHBondContact O-N 3.2Å; Y59-T62 WeakPolarHBondContact CB-OG1 3.32Å
60G95.1Very high97.1Very high31 Ų3182.4 Ų82.432%0.3241%0.413SS..EExtended strand (participates in β ladder)trans69.2-114.5-174.700000110.3E45 Q46 T47E45-G60 CarbonylContact C-O 3.58Å; Q46-G60 PolarHBondContact N-O 2.86Å; Q46-G60 VanDerWaalsContact N-O 3.1Å; T47-G60 WeakPolarHBondContact CB-O 3.18Å; T47-G60 PolarHBondContact N-O 2.71Å; T47-G60 PolarHBondContact OG1-O 2.68Å
61D97.6Very high97Very high131 Ų13185.4 Ų85.470%0.70142%0.424SS*.EExtended strand (participates in β ladder)trans-74.6124.3175.2-61.90000109.4L44 Y59L44-D61 CarbonylContact O-C 3.55Å; L44-D61 WeakPolarHBondContact O-CA 3.39Å; Y59-D61 PolarHBondContact O-N 3.2Å
62T98.1Very high96.8Very high21 Ų2183.7 Ų83.713%0.12942%0.416CS..EExtended strand (participates in β ladder)trans-138.1128.3-173.5-59.30000110.9Y29 V43 L44 T47 Y59 I64Y29-T62 HydrophobicContact CD1-CG2 4.27Å; Y29-T62 HydrophobicContact CE1-CG2 4.33Å; V43-T62 WeakPolarHBondContact CA-O 3.36Å; L44-T62 PolarHBondContact N-O 3.19Å; L44-T62 PolarHBondContact O-N 2.97Å; T47-T62 VanDerWaalsContact CB-OG1 3.26Å; T47-T62 WeakPolarHBondContact CB-OG1 3.45Å; T47-T62 HydrophobicContact CG2-CG2 4.17Å; T47-T62 WeakPolarHBondContact OG1-CB 3.47Å; T47-T62 PolarHBondContact OG1-OG1 3.34Å; Y59-T62 WeakPolarHBondContact CB-OG1 3.32Å; T62-I64 HydrophobicContact CG2-CG1 4.09Å
63F98.1Very high96.8Very high134 Ų13478.3 Ų78.359%0.58839%0.39SS*.EExtended strand (participates in β ladder)trans-101.3125.3170.4176.3-99.4000110.1N41 V42 V43 R65N41-F63 HydrophobicContact CB-CE2 3.89Å; N41-F63 HydrophobicContact CB-CZ 4.01Å; V42-F63 CarbonylContact O-C 3.58Å; V42-F63 WeakPolarHBondContact O-CA 3.32Å; V43-F63 HydrophobicContact CG2-CD2 4.13Å; F63-R65 HydrophobicContact CE1-CB 4.32Å
64I98.1Very high96.8Very high10 Ų1079.2 Ų79.25%0.05139%0.385CS..EExtended strand (participates in β ladder)trans-112.9121.8175.9-56.4175.2000108.3V21 L23 Y29 N41 V42 L44 T62 V69V21-I64 HydrophobicContact CB-CD1 4.09Å; V21-I64 HydrophobicContact CG1-CD1 3.89Å; V21-I64 HydrophobicContact CG2-CD1 4.48Å; L23-I64 HydrophobicContact CD2-CG2 3.66Å; Y29-I64 HydrophobicContact CD1-CD1 4Å; Y29-I64 HydrophobicContact CG-CD1 3.86Å; N41-I64 WeakPolarHBondContact CA-O 3.29Å; V42-I64 HydrophobicContact CB-CB 4.21Å; V42-I64 PolarHBondContact N-O 3.43Å; V42-I64 PolarHBondContact O-N 3.03Å; L44-I64 HydrophobicContact CD1-CD1 3.88Å; T62-I64 HydrophobicContact CG2-CG1 4.09Å; I64-V69 HydrophobicContact CG2-CG2 3.72Å
65R98.3Very high96.2Very high162 Ų16276.5 Ų76.561%0.61137%0.373SS*.  trans-70.4130174.5-165.5-175.9170.4178.8-2.9110.4F63 N67 N68F63-R65 HydrophobicContact CE1-CB 4.32Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 WeakPolarHBondContact CD-OD1 3.41Å; R65-N67 WeakPolarHBondContact CG-OD1 3.39Å; R65-N67 PolarHBondContact NE-OD1 2.65Å; R65-N67 PolarHBondContact O-N 2.96Å; R65-N68 WeakPolarHBondContact O-CB 3.41Å; R65-N68 PolarHBondContact O-N 3Å
66G97.4Very high95.2Very high5 Ų581.1 Ų81.15%0.05239%0.389CS..G310 helixtrans-65.2-26.9-167.300000116.3Y39 M40 N41 N68 V69Y39-G66 VanDerWaalsContact O-CA 3.32Å; Y39-G66 WeakPolarHBondContact O-CA 3.34Å; M40-G66 WeakPolarHBondContact O-CA 3.41Å; N41-G66 PolarHBondContact OD1-N 3.19Å; G66-N68 PolarHBondContact O-N 3.44Å; G66-N68 VanDerWaalsContact O-N 3.11Å; G66-V69 WeakPolarHBondContact O-CB 2.86Å; G66-V69 PolarHBondContact O-N 3.47Å
67N97.5Very high93.3Very high94 Ų9488.1 Ų88.150%0.50341%0.413SS..G310 helixtrans-67.8-10.5175.773-75.5000113.7N24 R65N24-N67 PolarHBondContact ND2-O 3.17Å; N24-N67 VanDerWaalsContact ND2-O 3.15Å; R65-N67 VanDerWaalsContact C-N 3.33Å; R65-N67 WeakPolarHBondContact CD-OD1 3.41Å; R65-N67 WeakPolarHBondContact CG-OD1 3.39Å; R65-N67 PolarHBondContact NE-OD1 2.65Å; R65-N67 PolarHBondContact O-N 2.96Å
68N98Very high91.2Very high75 Ų7598.9 Ų98.940%0.40145%0.448SS..G310 helixtrans-95.8-9.7173.9-63.7-39.3000112.6L23 N24 R65 G66L23-N68 CarbonylContact C-O 3.52Å; L23-N68 VanDerWaalsContact CA-O 3.26Å; L23-N68 WeakPolarHBondContact CA-O 3.35Å; L23-N68 HydrophobicContact CD2-CB 4.49Å; N24-N68 PolarHBondContact N-O 3.45Å; N24-N68 PolarHBondContact ND2-O 3.13Å; R65-N68 WeakPolarHBondContact O-CB 3.41Å; R65-N68 PolarHBondContact O-N 3Å; G66-N68 PolarHBondContact O-N 3.44Å; G66-N68 VanDerWaalsContact O-N 3.11Å
69V97.7Very high90.9Very high12 Ų1296.9 Ų96.97%0.07344%0.44CS..EExtended strand (participates in β ladder)trans-82.5126.2-177.3-1780000109.6V21 M40 V42 I64 G66 I72V21-V69 HydrophobicContact CG1-CB 4.44Å; V21-V69 HydrophobicContact CG1-CG1 3.8Å; V21-V69 HydrophobicContact CG1-CG2 3.87Å; M40-V69 HydrophobicContact CE-CB 4.06Å; M40-V69 HydrophobicContact CE-CG1 3.52Å; V42-V69 HydrophobicContact CG2-CG2 4.15Å; I64-V69 HydrophobicContact CG2-CG2 3.72Å; G66-V69 WeakPolarHBondContact O-CB 2.86Å; G66-V69 PolarHBondContact O-N 3.47Å; V69-I72 HydrophobicContact CG1-CD1 4.47Å; V69-I72 HydrophobicContact CG1-CG1 3.9Å
70F97.5Very high90.7Very high135 Ų13596.4 Ų96.459%0.59244%0.442SS*.EExtended strand (participates in β ladder)trans-88-50.7173.6-175.2-117000111.2K22 N24K22-F70 HydrophobicContact CB-CB 4.33Å; K22-F70 HydrophobicContact CB-CD1 4.48Å; K22-F70 HydrophobicContact CG-CB 4.16Å; K22-F70 HydrophobicContact CG-CD1 3.94Å; K22-F70 WeakPolarHBondContact O-CB 3.48Å; K22-F70 PolarHBondContact O-N 3.17Å; N24-F70 WeakPolarHBondContact OD1-CB 3.36Å
71Y95.3Very high90.5Very high97 Ų97100.1 Ų100.138%0.3845%0.448SS..EExtended strand (participates in β ladder)trans-154164.7170.167.9-106.1000112K22K22-Y71 HydrophobicContact CB-CD1 3.76Å; K22-Y71 HydrophobicContact CB-CD2 4.03Å; K22-Y71 HydrophobicContact CB-CE1 3.48Å; K22-Y71 VanDerWaalsContact CB-CE1 3.48Å; K22-Y71 HydrophobicContact CB-CE2 3.77Å; K22-Y71 HydrophobicContact CB-CG 4Å; K22-Y71 VanDerWaalsContact CB-CZ 3.48Å; K22-Y71 HydrophobicContact CD-CE1 4.43Å; K22-Y71 HydrophobicContact CG-CD1 4.12Å; K22-Y71 HydrophobicContact CG-CE1 3.6Å; K22-Y71 PolarHBondContact N-O 3.22Å; K22-Y71 PolarHBondContact O-N 3.12Å
72I94.9Very high90.1Very high30 Ų3098.2 Ų98.215%0.15443%0.434CS..EExtended strand (participates in β ladder)trans-121131.2170-54175.6000108I14 V19 V20 V21 L36 M40 V42 V69I14-I72 HydrophobicContact CD1-CG2 4.11Å; V19-I72 HydrophobicContact CB-CG2 4.28Å; V19-I72 HydrophobicContact CG1-CG2 4.5Å; V20-I72 WeakPolarHBondContact O-CA 3.4Å; V21-I72 HydrophobicContact CG1-CG1 4.47Å; V21-I72 HydrophobicContact CG2-CG1 4.33Å; V21-I72 HydrophobicContact CG2-CG2 4.44Å; L36-I72 HydrophobicContact CD1-CD1 3.64Å; L36-I72 HydrophobicContact CD2-CD1 3.86Å; L36-I72 HydrophobicContact CG-CD1 4.44Å; M40-I72 HydrophobicContact CE-CD1 4.42Å; M40-I72 HydrophobicContact CE-CG1 4.4Å; V42-I72 HydrophobicContact CG2-CD1 3.93Å; V69-I72 HydrophobicContact CG1-CD1 4.47Å; V69-I72 HydrophobicContact CG1-CG1 3.9Å
73S94.4Very high89.6Confident40 Ų40103.1 Ų103.128%0.2845%0.453SS..EExtended strand (participates in β ladder)trans-132.4153.7176.770.20000111.5V19 V20V19-S73 CarbonylContact C-O 3.55Å; V19-S73 VanDerWaalsContact CA-O 3.29Å; V19-S73 WeakPolarHBondContact CA-O 3.4Å; V19-S73 WeakPolarHBondContact CB-O 3.39Å; V20-S73 PolarHBondContact N-O 3.35Å; V20-S73 PolarHBondContact O-N 3.3Å
74T92.6Very high89Confident72 Ų72101 Ų10144%0.44244%0.444SS..EExtended strand (participates in β ladder)trans-68.813816954.50000109.5I14 K76I14-T74 HydrophobicContact CG2-CG2 3.56Å; T74-K76 PolarHBondContact O-N 3.16Å
75Q84.7Confident88.3Confident63 Ų63107.5 Ų107.529%0.29447%0.472SS..PPolyproline II helixtrans-60129.8164.7-78.5-111.11.500109.7P18 V20 R30 R77P18-Q75 HydrophobicContact CB-CB 4.07Å; P18-Q75 HydrophobicContact CB-CG 3.99Å; P18-Q75 PolarHBondContact O-N 2.93Å; P18-Q75 VanDerWaalsContact O-N 3.16Å; V20-Q75 HydrophobicContact CG2-CG 3.86Å; R30-Q75 VanDerWaalsContact CD-NE2 3.31Å; Q75-R77 PolarHBondContact O-N 2.95Å
76K77.4Confident87.6Confident176 Ų176103.3 Ų103.377%0.76546%0.461SS*.PPolyproline II helixtrans-64.7124168.5-94.4-175.8175.2179.80108.3T74T74-K76 PolarHBondContact O-N 3.16Å
77R57.8Low86.8Confident241 Ų241111.5 Ų111.591%0.90950%0.495SS*.PPolyproline II helixtrans-74.3121.6162.5-75.2177.268.9-148.52.6107.4Q75Q75-R77 PolarHBondContact O-N 2.95Å
78W53.3Low85.8Confident303 Ų303113.1 Ų113.1100%1.14849%0.494SS*.  trans-72.50165.4-35.186000109.4

Retrieved 78 of 78 residues in 73.3 ms (Link to these results)