A0A077ZKD6_TRITR Loading...

Eukaryotic translation initiation factor 4C

Component of the 43S pre-initiation complex (43S PIC), which binds to the mRNA cap-proximal region, scans mRNA 5'-untranslated region, and locates the initiation codon. This protein enhances formation of the cap-proximal complex. Together with EIF1, facilitates scanning, start codon recognition, promotion of the assembly of 48S complex at the initiation codon (43S PIC becomes 48S PIC after the start codon is reached), and dissociation of aberrant complexes. After start codon location, together with EIF5B orients the initiator methionine-tRNA in a conformation that allows 60S ribosomal subunit joining to form the 80S initiation complex. Is released after 80S initiation complex formation, just after GTP hydrolysis by EIF5B, and before release of EIF5B. Its globular part is located in the A site of the 40S ribosomal subunit. Its interaction with EIF5 during scanning contribute to the maintenance of EIF1 within the open 43S PIC. In contrast to yeast orthologs, does not bind EIF1.

AlphaFold DB , UniProt , Accession A0A077ZKD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M51.1Low61.6Low229 Ų229144.5 Ų144.5100%1.12877%0.773SS**  0111.70-67.1177.5174.300109.7K3M1-K3 PolarHBondContact O-N 3.38Å
2P62.8Low61.9Low130 Ų130143.5 Ų143.584%0.84475%0.75SS**  trans-66.8122.4173.1-15.130000110
3K59Low62Low195 Ų195149.7 Ų149.785%0.84876%0.758SS**  trans-89121.9168.2-70.3176.2178.5172.70107.6M1 K5M1-K3 PolarHBondContact O-N 3.38Å; K3-K5 PolarHBondContact O-N 3.39Å
4N58.3Low62.5Low137 Ų137155 Ų15573%0.73376%0.764SS**  trans-55.6100.7176.6-78.743.2000111G6N4-G6 PolarHBondContact O-N 2.74Å
5K54.7Low62.8Low218 Ų218148.1 Ų148.195%0.94875%0.748SS**  trans-87.552.9-171.4-158.5177.5-178.4-175.10111.2K3K3-K5 PolarHBondContact O-N 3.39Å
6G64.4Low63.2Low39 Ų39148.9 Ų148.940%0.40275%0.745SS.*  trans-127.4142.6-173.400000114.7N4 G8N4-G6 PolarHBondContact O-N 2.74Å; G6-G8 PolarHBondContact O-N 2.75Å
7K54.6Low63.2Low200 Ų200147.8 Ų147.887%0.8774%0.742SS**  trans23.879.9177.1-103.8177.7178.1172.90115.1G9 R12K7-G9 PolarHBondContact O-N 2.91Å; K7-G9 VanDerWaalsContact O-N 3.13Å; K7-R12 WeakPolarHBondContact O-CD 3.48Å
8G58.2Low63.3Low77 Ų77143.9 Ų143.979%0.79472%0.721SS**  trans-78.186.9178.500000113.9G6G6-G8 PolarHBondContact O-N 2.75Å
9G71.5Confident63.3Low36 Ų36140.4 Ų140.437%0.37171%0.705SS.*  trans-97.7152.216900000113.2K7 N11 R12K7-G9 PolarHBondContact O-N 2.91Å; K7-G9 VanDerWaalsContact O-N 3.13Å; G9-N11 PolarHBondContact O-N 2.83Å; G9-N11 VanDerWaalsContact O-N 3.15Å; G9-R12 PolarHBondContact O-N 3.03Å
10K74.7Confident63.1Low190 Ų190136.9 Ų136.983%0.82669%0.688SS**THydrogen-bonded Turntrans-52-37.5176.5-70.9-178.6-179.7176.10112.5
11N68.8Low62.9Low138 Ų138134.7 Ų134.774%0.73869%0.691SS**THydrogen-bonded Turntrans-71.7-34179.7-65-2.2000112.9G9 R13 R14G9-N11 PolarHBondContact O-N 2.83Å; G9-N11 VanDerWaalsContact O-N 3.15Å; N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 3.37Å; N11-R14 PolarHBondContact O-N 3.13Å
12R65.3Low63.5Low133 Ų133129.6 Ų129.650%0.50267%0.665SS.*G310 helixtrans-64.4-35.6179.5-172.8177.2-179.5137.89.7111.8K7 G9 R14 G15K7-R12 WeakPolarHBondContact O-CD 3.48Å; G9-R12 PolarHBondContact O-N 3.03Å; R12-R14 PolarHBondContact O-N 2.74Å; R12-R14 VanDerWaalsContact O-N 3.15Å; R12-G15 PolarHBondContact O-N 2.82Å; R12-G15 VanDerWaalsContact O-N 3.15Å
13R63.3Low63.7Low224 Ų224132.7 Ų132.785%0.84567%0.665SS**G310 helixtrans-65.1-13.5178.3-64.7-171.8-177.9-175.91.5114.3N11N11-R13 VanDerWaalsContact C-N 3.31Å; N11-R13 PolarHBondContact O-N 3.37Å
14R68.5Low64.4Low224 Ų224129.9 Ų129.985%0.84565%0.649SS**G310 helixtrans-94.1-7.7176.9-64.2-176.4176-179.6-2.6113.5N11 R12N11-R14 PolarHBondContact O-N 3.13Å; R12-R14 PolarHBondContact O-N 2.74Å; R12-R14 VanDerWaalsContact O-N 3.15Å
15G66.8Low65.5Low51 Ų51132.1 Ų132.153%0.52666%0.655SS.*SBendtrans-81.8126177.400000111.5R12 N17R12-G15 PolarHBondContact O-N 2.82Å; R12-G15 VanDerWaalsContact O-N 3.15Å; G15-N17 PolarHBondContact O-N 3.39Å
16K69.5Low66.9Low162 Ų162123.4 Ų123.470%0.70462%0.619SS**  trans-67.8113.6163.9-169.7-175.8174.8-157.20107.5E18K16-E18 HydrophobicContact CD-CG 4.15Å; K16-E18 VanDerWaalsContact CD-OE1 3.31Å; K16-E18 WeakPolarHBondContact CD-OE1 3.26Å; K16-E18 VanDerWaalsContact CE-OE1 3.22Å; K16-E18 WeakPolarHBondContact CE-OE1 3.41Å; K16-E18 HydrophobicContact CG-CG 4.19Å; K16-E18 IonicContact NZ-OE1 2.68Å; K16-E18 PolarHBondContact NZ-OE1 2.87Å; K16-E18 PolarHBondContact O-N 3.02Å
17N63.6Low68.1Low130 Ų130124.9 Ų124.970%0.69562%0.62SS**  trans-77.776.1-177.6-16985.5000110.2G15G15-N17 PolarHBondContact O-N 3.39Å
18E64.3Low69.8Low78 Ų78119.5 Ų119.536%0.36460%0.597SS.*  trans-80.3120.3167.8-71.3168.7166.700107.8K16 D20 K68K16-E18 HydrophobicContact CD-CG 4.15Å; K16-E18 VanDerWaalsContact CD-OE1 3.31Å; K16-E18 WeakPolarHBondContact CD-OE1 3.26Å; K16-E18 VanDerWaalsContact CE-OE1 3.22Å; K16-E18 WeakPolarHBondContact CE-OE1 3.41Å; K16-E18 HydrophobicContact CG-CG 4.19Å; K16-E18 IonicContact NZ-OE1 2.68Å; K16-E18 PolarHBondContact NZ-OE1 2.87Å; K16-E18 PolarHBondContact O-N 3.02Å; E18-D20 PolarHBondContact O-N 3.15Å; E18-K68 IonicContact OE2-NZ 2.87Å; E18-K68 PolarHBondContact OE2-NZ 3.13Å
19N62.8Low71.4Confident77 Ų77119.4 Ų119.441%0.41257%0.574SS.*  trans-79.789.7-176.6-154.813.7000108.6A21 E22 R24N19-A21 PolarHBondContact O-N 2.75Å; N19-E22 HydrophobicContact CB-CG 4.36Å; N19-E22 WeakPolarHBondContact CB-OE1 3.45Å; N19-E22 PolarHBondContact ND2-OE1 3.24Å; N19-R24 PolarHBondContact O-NH2 2.87Å
20D60.3Low72.5Confident69 Ų69124 Ų12437%0.36959%0.586SS.*THydrogen-bonded Turntrans-71.5-7.1177.7-92.84.7000113.5E18 R24E18-D20 PolarHBondContact O-N 3.15Å; D20-R24 IonicContact OD1-CZ 3.59Å; D20-R24 IonicContact OD1-NH1 3.33Å; D20-R24 PolarHBondContact OD1-NH1 2.79Å; D20-R24 IonicContact OD1-NH2 2.6Å; D20-R24 PolarHBondContact OD1-NH2 3.06Å
21A59.3Low73.2Confident91 Ų91123.2 Ų123.275%0.75259%0.591SS**THydrogen-bonded Turntrans-91.7-2.8177.700000114.3N19N19-A21 PolarHBondContact O-N 2.75Å
22E63.2Low74.3Confident122 Ų122118.5 Ų118.557%0.5758%0.575SS**SBendtrans-71.5130.3169.8-80.9162.2-152.100109.2N19 R24N19-E22 HydrophobicContact CB-CG 4.36Å; N19-E22 WeakPolarHBondContact CB-OE1 3.45Å; N19-E22 PolarHBondContact ND2-OE1 3.24Å; E22-R24 PolarHBondContact O-N 2.91Å
23K66.2Low75.7Confident196 Ų196113.8 Ų113.885%0.85256%0.559SS**  trans-59.4105.6179.3-66.9-174.3175.3-168.70109.3
24R75Confident77.2Confident135 Ų135104.5 Ų104.551%0.50953%0.525SS..PPolyproline II helixtrans-90.4160.5178.2-74.5166.1-171.2170.95.6110.4N19 D20 E22N19-R24 PolarHBondContact O-NH2 2.87Å; D20-R24 IonicContact OD1-CZ 3.59Å; D20-R24 IonicContact OD1-NH1 3.33Å; D20-R24 PolarHBondContact OD1-NH1 2.79Å; D20-R24 IonicContact OD1-NH2 2.6Å; D20-R24 PolarHBondContact OD1-NH2 3.06Å; E22-R24 PolarHBondContact O-N 2.91Å
25E80.5Confident78.4Confident185 Ų18593.9 Ų93.986%0.86449%0.485SS*.PPolyproline II helixtrans-62.1141.3168.1-66.1172.317800109.6V27E25-V27 PolarHBondContact O-N 3.31Å
26L85Confident79.8Confident34 Ų3491.4 Ų91.418%0.17846%0.46CS..PPolyproline II helixtrans-68.7119.6179.5-173.170000109.2F28 Y95 E99 N102 L103 Y106L26-F28 HydrophobicContact CD2-CE1 4.05Å; L26-F28 HydrophobicContact CD2-CZ 3.96Å; L26-F28 PolarHBondContact O-N 3.15Å; L26-Y95 HydrophobicContact CD1-CD1 4.14Å; L26-Y95 HydrophobicContact CD1-CE1 4.11Å; L26-E99 HydrophobicContact CD1-CB 3.72Å; L26-E99 HydrophobicContact CD1-CG 4.08Å; L26-N102 HydrophobicContact CD2-CB 4.28Å; L26-L103 HydrophobicContact CD1-CD2 4.4Å; L26-L103 HydrophobicContact CD1-CG 4.15Å; L26-L103 HydrophobicContact CD2-CD2 3.82Å; L26-L103 HydrophobicContact CD2-CG 4.06Å; L26-L103 HydrophobicContact CG-CD2 4.24Å; L26-L103 HydrophobicContact CG-CG 4.48Å; L26-Y106 HydrophobicContact CD2-CD2 3.68Å; L26-Y106 HydrophobicContact CD2-CE2 3.64Å
27V89.4Confident80.9Confident71 Ų7185.8 Ų85.843%0.4344%0.436SS..  trans-82.4113.2174.6-179.40000108.3E25 L78 L93 Y95E25-V27 PolarHBondContact O-N 3.31Å; V27-L78 HydrophobicContact CG1-CD2 4.15Å; V27-L93 HydrophobicContact CB-CD2 3.92Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; V27-Y95 WeakPolarHBondContact O-CE1 3.43Å; V27-Y95 PolarHBondContact O-OH 3.07Å
28F90.6Very high82.4Confident87 Ų8779.7 Ų79.738%0.38240%0.403SS..  trans-77.1162.5170.5-64.2-83.9000110.9L26 L103 Y106 E108L26-F28 HydrophobicContact CD2-CE1 4.05Å; L26-F28 HydrophobicContact CD2-CZ 3.96Å; L26-F28 PolarHBondContact O-N 3.15Å; F28-L103 HydrophobicContact CD1-CD2 4.39Å; F28-Y106 HydrophobicContact CE1-CD2 4.06Å; F28-Y106 HydrophobicContact CE1-CG 4.21Å; F28-Y106 HydrophobicContact CZ-CD2 4.08Å; F28-Y106 HydrophobicContact CZ-CE2 4.2Å; F28-Y106 HydrophobicContact CZ-CG 4.38Å; F28-E108 HydrophobicContact CD1-CG 3.96Å; F28-E108 HydrophobicContact CE1-CG 4.12Å
29K91.5Very high83.8Confident74 Ų7479.3 Ų79.332%0.32240%0.403SS..  trans-68.7143.4172.665.8177.2171.8-176.90111.6Q33 E34 Y35 L78K29-Q33 HydrophobicContact CB-CB 4.4Å; K29-E34 IonicContact NZ-OE1 2.67Å; K29-E34 PolarHBondContact NZ-OE1 2.97Å; K29-E34 IonicContact NZ-OE2 2.87Å; K29-E34 PolarHBondContact NZ-OE2 3.44Å; K29-Y35 HydrophobicContact CB-CE1 4.06Å; K29-Y35 HydrophobicContact CB-CE2 4.12Å; K29-Y35 HydrophobicContact CD-CD2 3.79Å; K29-Y35 HydrophobicContact CD-CE2 3.48Å; K29-Y35 VanDerWaalsContact CD-CE2 3.48Å; K29-Y35 HydrophobicContact CG-CD2 4.37Å; K29-Y35 HydrophobicContact CG-CE1 4.45Å; K29-Y35 HydrophobicContact CG-CE2 3.66Å; K29-Y35 PolarHBondContact N-OH 3.15Å; K29-L78 HydrophobicContact CB-CD1 3.87Å
30E93.5Very high85.3Confident133 Ų13380.8 Ų80.862%0.62141%0.406SS*.  trans-105.6174.3171.3-58174.7147.200109.7Q33E30-Q33 HydrophobicContact CB-CG 4.46Å; E30-Q33 WeakPolarHBondContact O-CB 3.31Å; E30-Q33 PolarHBondContact O-N 3.21Å; E30-Q33 PolarHBondContact OE2-NE2 2.68Å
31D90.4Very high87Confident173 Ų17381.7 Ų81.793%0.92541%0.409SS*.THydrogen-bonded Turntrans-58.4141.6172.4-172.626.7000111.6Q33D31-Q33 PolarHBondContact O-N 2.68Å
32G92.2Very high88.6Confident39 Ų3981.1 Ų81.140%0.40239%0.393SS..THydrogen-bonded Turntrans70.38.9-170.100000115.4L81G32-L81 WeakPolarHBondContact O-CB 3.22Å; G32-L81 PolarHBondContact O-N 2.78Å
33Q94.7Very high90.1Very high34 Ų3477.3 Ų77.316%0.15939%0.386CS..EExtended strand (participates in β ladder)trans-121.7148.7174.6-50.7-179.230.700111.1K29 E30 D31 L78 I79 I92K29-Q33 HydrophobicContact CB-CB 4.4Å; E30-Q33 HydrophobicContact CB-CG 4.46Å; E30-Q33 WeakPolarHBondContact O-CB 3.31Å; E30-Q33 PolarHBondContact O-N 3.21Å; E30-Q33 PolarHBondContact OE2-NE2 2.68Å; D31-Q33 PolarHBondContact O-N 2.68Å; Q33-L78 HydrophobicContact CB-CD1 4.24Å; Q33-I79 CarbonylContact C-O 3.51Å; Q33-I79 WeakPolarHBondContact CA-O 3.19Å; Q33-I92 HydrophobicContact CG-CD1 3.88Å
34E93.9Very high91.3Very high30 Ų3074.7 Ų74.714%0.1438%0.382CS..EExtended strand (participates in β ladder)trans-142.5150.8176-16846.9-98.200110.8K29 C51 D53 I79K29-E34 IonicContact NZ-OE1 2.67Å; K29-E34 PolarHBondContact NZ-OE1 2.97Å; K29-E34 IonicContact NZ-OE2 2.87Å; K29-E34 PolarHBondContact NZ-OE2 3.44Å; E34-C51 HydrophobicContact CG-CB 4.5Å; E34-D53 HydrophobicContact CG-CB 4.49Å; E34-I79 PolarHBondContact N-O 3.01Å; E34-I79 WeakPolarHBondContact O-CB 3.34Å; E34-I79 PolarHBondContact O-N 2.93Å
35Y94.7Very high92.1Very high0 Ų071.8 Ų71.80%038%0.376CS..EExtended strand (participates in β ladder)trans-75.5152.7172.2-51.3-69.4000110.1K29 C51 F52 L78 Y95 L103 E108 L109K29-Y35 HydrophobicContact CB-CE1 4.06Å; K29-Y35 HydrophobicContact CB-CE2 4.12Å; K29-Y35 HydrophobicContact CD-CD2 3.79Å; K29-Y35 HydrophobicContact CD-CE2 3.48Å; K29-Y35 VanDerWaalsContact CD-CE2 3.48Å; K29-Y35 HydrophobicContact CG-CD2 4.37Å; K29-Y35 HydrophobicContact CG-CE1 4.45Å; K29-Y35 HydrophobicContact CG-CE2 3.66Å; K29-Y35 PolarHBondContact N-OH 3.15Å; Y35-C51 WeakPolarHBondContact O-CA 3.44Å; Y35-F52 WeakPolarHBondContact O-CD2 3.32Å; Y35-F52 PolarHBondContact O-N 2.6Å; Y35-F52 VanDerWaalsContact O-N 3.08Å; Y35-L78 HydrophobicContact CD1-CD1 3.95Å; Y35-L78 HydrophobicContact CE1-CD1 4.1Å; Y35-Y95 AromaticContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CE1-CE2 4.23Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.31Å; Y35-L103 HydrophobicContact CD1-CD1 4.38Å; Y35-L103 HydrophobicContact CE1-CD1 4.15Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y35-E108 HydrophobicContact CE2-CB 3.81Å; Y35-E108 HydrophobicContact CE2-CG 4.46Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.07Å; Y35-E108 PolarHBondContact OH-OE2 2.9Å; Y35-L109 HydrophobicContact CD2-CD2 3.72Å; Y35-L109 HydrophobicContact CG-CD2 3.74Å
36A94.5Very high92.8Very high0 Ų068.5 Ų68.50%036%0.356CS..EExtended strand (participates in β ladder)trans-152.9156.8174.700000112.9A49 F50 C51 I76 V77 I79A36-A49 HydrophobicContact CB-CB 3.78Å; A36-F50 CarbonylContact C-O 3.51Å; A36-F50 WeakPolarHBondContact CA-O 3.04Å; A36-F50 VanDerWaalsContact CB-O 3.28Å; A36-F50 WeakPolarHBondContact CB-O 3.48Å; A36-C51 HydrophobicContact CB-CB 4.23Å; A36-I76 WeakPolarHBondContact O-CA 3.38Å; A36-V77 HydrophobicContact CB-CG2 4.21Å; A36-V77 PolarHBondContact N-O 3.2Å; A36-V77 WeakPolarHBondContact O-CG2 3.44Å; A36-V77 PolarHBondContact O-N 3.47Å; A36-I79 HydrophobicContact CB-CD1 3.34Å; A36-I79 HydrophobicContact CB-CG1 3.87Å
37Q94.1Very high93.3Very high44 Ų4466.9 Ų66.921%0.20635%0.347CS..EExtended strand (participates in β ladder)trans-102133.9168.6-179.3161.747.800110.8I39 A49 F50 G74 I76 R114Q37-I39 PolarHBondContact O-N 2.73Å; Q37-A49 CarbonylContact O-C 3.39Å; Q37-A49 WeakPolarHBondContact O-CA 3.48Å; Q37-A49 WeakPolarHBondContact O-CB 3.36Å; Q37-F50 PolarHBondContact N-O 2.86Å; Q37-F50 PolarHBondContact O-N 3.28Å; Q37-G74 PolarHBondContact NE2-O 3.37Å; Q37-I76 HydrophobicContact CB-CD1 3.89Å; Q37-I76 HydrophobicContact CG-CD1 4.07Å; Q37-R114 PolarHBondContact NE2-O 3.16Å
38V94.8Very high93.6Very high2 Ų265.4 Ų65.41%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-73.6117.8175.4-178.30000110.2M41 L47 I71 N72 G74 D75 V77V38-M41 HydrophobicContact CG1-SD 4.12Å; V38-L47 HydrophobicContact CG1-CB 4.2Å; V38-L47 HydrophobicContact CG1-CD1 4.15Å; V38-L47 HydrophobicContact CG1-CD2 4.07Å; V38-L47 HydrophobicContact CG1-CG 4.38Å; V38-L47 HydrophobicContact CG2-CD1 4.05Å; V38-L47 HydrophobicContact CG2-CD2 3.89Å; V38-I71 HydrophobicContact CG2-CG2 3.78Å; V38-N72 WeakPolarHBondContact CB-O 3.48Å; V38-N72 WeakPolarHBondContact CG1-O 3.28Å; V38-G74 PolarHBondContact O-N 2.63Å; V38-D75 HydrophobicContact CG2-CB 4.35Å; V38-D75 PolarHBondContact N-O 3.12Å; V38-V77 HydrophobicContact CG2-CG1 3.95Å; V38-V77 HydrophobicContact CG2-CG2 3.96Å
39I94.1Very high93.9Very high70 Ų7061.2 Ų61.236%0.35932%0.317SS..EExtended strand (participates in β ladder)trans-82.7-54.5177.5-55.8163.9000109.9Q37 Q48 F50 M56Q37-I39 PolarHBondContact O-N 2.73Å; I39-Q48 HydrophobicContact CD1-CG 4.15Å; I39-Q48 PolarHBondContact N-O 3.25Å; I39-F50 HydrophobicContact CD1-CB 3.83Å; I39-F50 HydrophobicContact CG1-CB 4Å; I39-M56 HydrophobicContact CD1-CE 3.33Å; I39-M56 HydrophobicContact CD1-CG 4.41Å
40K94.4Very high94Very high107 Ų10761.8 Ų61.847%0.46532%0.32SS..EExtended strand (participates in β ladder)trans-153.3150.3-177.660.5173.7171.7-1790112.7L42 L47 Q48K40-L42 HydrophobicContact CD-CD2 4.28Å; K40-L42 HydrophobicContact CG-CD2 4.27Å; K40-L47 WeakPolarHBondContact O-CA 3.31Å; K40-Q48 HydrophobicContact CG-CB 4.05Å; K40-Q48 PolarHBondContact N-O 3.41Å; K40-Q48 PolarHBondContact O-N 2.86Å
41M94.5Very high94Very high88 Ų8855.4 Ų55.443%0.43329%0.29SS..EExtended strand (participates in β ladder)trans-82.5132.9172.6-59.2-59.8-82.200109.7V38 L47 I61 I71V38-M41 HydrophobicContact CG1-SD 4.12Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.12Å; M41-I61 HydrophobicContact CE-CD1 4.17Å; M41-I71 VanDerWaalsContact CE-O 3.27Å; M41-I71 WeakPolarHBondContact CE-O 3.47Å
42L94.5Very high94Very high80 Ų8049.5 Ų49.542%0.41926%0.256SS..EExtended strand (participates in β ladder)trans-102.6-4.6-177.6-62177.7000113.4K40 R46 Q48 I58K40-L42 HydrophobicContact CD-CD2 4.28Å; K40-L42 HydrophobicContact CG-CD2 4.27Å; L42-R46 HydrophobicContact CB-CB 4.19Å; L42-R46 PolarHBondContact N-O 2.93Å; L42-Q48 HydrophobicContact CD1-CB 4.3Å; L42-Q48 HydrophobicContact CG-CB 4.45Å; L42-I58 HydrophobicContact CD1-CG1 4.44Å; L42-I58 HydrophobicContact CD1-CG2 4.09Å
43G92.9Very high93.9Very high42 Ų4250.9 Ų50.943%0.43325%0.254SS..EExtended strand (participates in β ladder)trans79.4179.1-170.600000113.1N45 R46G43-N45 PolarHBondContact O-N 2.72Å; G43-N45 VanDerWaalsContact O-N 3.08Å; G43-R46 PolarHBondContact O-N 3.03Å
44N92.8Very high93.8Very high141 Ų14151.5 Ų51.575%0.75427%0.27SS*.THydrogen-bonded Turntrans4642-179.1-65.54.6000114.4R46N44-R46 PolarHBondContact O-N 3.21Å; N44-R46 PolarHBondContact O-NH1 3.22Å
45N91.4Very high93.7Very high74 Ų7452.5 Ų52.540%0.39628%0.278SS..THydrogen-bonded Turntrans54.532.7-174.6-62.4116.5000114.9G43 I61G43-N45 PolarHBondContact O-N 2.72Å; G43-N45 VanDerWaalsContact O-N 3.08Å; N45-I61 HydrophobicContact CB-CB 4.37Å; N45-I61 PolarHBondContact O-N 3.19Å
46R95Very high93.8Very high116 Ų11657.4 Ų57.444%0.43830%0.302SS..EExtended strand (participates in β ladder)trans-118.5151171.6-62.7177.9-175.580.5-5.8111.1L42 G43 N44 C59L42-R46 HydrophobicContact CB-CB 4.19Å; L42-R46 PolarHBondContact N-O 2.93Å; G43-R46 PolarHBondContact O-N 3.03Å; N44-R46 PolarHBondContact O-N 3.21Å; N44-R46 PolarHBondContact O-NH1 3.22Å; R46-C59 VanDerWaalsContact CA-O 3.29Å; R46-C59 WeakPolarHBondContact CA-O 3.29Å
47L95.7Very high93.8Very high0 Ų057.8 Ų57.80%030%0.304CS..EExtended strand (participates in β ladder)trans-138163.7171.862.281.6000109.5V38 K40 M41 A49 C59 I61 I71 V91V38-L47 HydrophobicContact CG1-CB 4.2Å; V38-L47 HydrophobicContact CG1-CD1 4.15Å; V38-L47 HydrophobicContact CG1-CD2 4.07Å; V38-L47 HydrophobicContact CG1-CG 4.38Å; V38-L47 HydrophobicContact CG2-CD1 4.05Å; V38-L47 HydrophobicContact CG2-CD2 3.89Å; K40-L47 WeakPolarHBondContact O-CA 3.31Å; M41-L47 HydrophobicContact SD-CB 3.73Å; M41-L47 HydrophobicContact SD-CD2 4.12Å; L47-A49 HydrophobicContact CD1-CB 3.79Å; L47-C59 HydrophobicContact CD1-CB 3.54Å; L47-C59 HydrophobicContact CG-CB 4.08Å; L47-C59 PolarHBondContact N-O 2.97Å; L47-C59 PolarHBondContact O-N 3.49Å; L47-I61 HydrophobicContact CD2-CD1 4.45Å; L47-I61 HydrophobicContact CD2-CG1 4.3Å; L47-I71 HydrophobicContact CD2-CG2 3.86Å; L47-V91 HydrophobicContact CD2-CG2 4.23Å
48Q96.3Very high93.9Very high39 Ų3959.5 Ų59.518%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-103.6126.1167.2-171.8173.813.100108I39 K40 L42I39-Q48 HydrophobicContact CD1-CG 4.15Å; I39-Q48 PolarHBondContact N-O 3.25Å; K40-Q48 HydrophobicContact CG-CB 4.05Å; K40-Q48 PolarHBondContact N-O 3.41Å; K40-Q48 PolarHBondContact O-N 2.86Å; L42-Q48 HydrophobicContact CD1-CB 4.3Å; L42-Q48 HydrophobicContact CG-CB 4.45Å
49A95.8Very high94Very high0 Ų059.4 Ų59.40%031%0.313CS..EExtended strand (participates in β ladder)trans-119.2145.6175.200000111.2A36 Q37 L47 M56 R57 C59 I79A36-A49 HydrophobicContact CB-CB 3.78Å; Q37-A49 CarbonylContact O-C 3.39Å; Q37-A49 WeakPolarHBondContact O-CA 3.48Å; Q37-A49 WeakPolarHBondContact O-CB 3.36Å; L47-A49 HydrophobicContact CD1-CB 3.79Å; A49-M56 WeakPolarHBondContact O-CA 3.45Å; A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 VanDerWaalsContact N-O 3.09Å; A49-R57 PolarHBondContact O-N 2.9Å; A49-C59 WeakPolarHBondContact CB-SG 3.37Å; A49-I79 HydrophobicContact CB-CD1 3.75Å
50F94.8Very high94Very high85 Ų8558.5 Ų58.537%0.37331%0.307SS..EExtended strand (participates in β ladder)trans-89.6112.7166-173.5-101.7000107.6A36 Q37 I39 M56A36-F50 CarbonylContact C-O 3.51Å; A36-F50 WeakPolarHBondContact CA-O 3.04Å; A36-F50 VanDerWaalsContact CB-O 3.28Å; A36-F50 WeakPolarHBondContact CB-O 3.48Å; Q37-F50 PolarHBondContact N-O 2.86Å; Q37-F50 PolarHBondContact O-N 3.28Å; I39-F50 HydrophobicContact CD1-CB 3.83Å; I39-F50 HydrophobicContact CG1-CB 4Å; F50-M56 HydrophobicContact CD2-CG 4.01Å
51C93.3Very high94Very high0 Ų054 Ų540%029%0.288CS..EExtended strand (participates in β ladder)trans-84.7149.5177.8-56.80000109E34 Y35 A36 D53 G54 V55 R57E34-C51 HydrophobicContact CG-CB 4.5Å; Y35-C51 WeakPolarHBondContact O-CA 3.44Å; A36-C51 HydrophobicContact CB-CB 4.23Å; C51-D53 WeakPolarHBondContact CB-OD1 3.33Å; C51-D53 PolarHBondContact O-N 3.06Å; C51-D53 VanDerWaalsContact O-N 3.16Å; C51-G54 PolarHBondContact O-N 3.37Å; C51-V55 WeakPolarHBondContact CB-O 3.34Å; C51-V55 PolarHBondContact N-O 2.8Å; C51-R57 VanDerWaalsContact SG-CD 3.55Å
52F90.7Very high94Very high49 Ų4956.8 Ų56.822%0.21529%0.294CS..THydrogen-bonded Turntrans-75.21.3-176.9-69.5-79.4000113.9Y35 L109 P110 A113Y35-F52 WeakPolarHBondContact O-CD2 3.32Å; Y35-F52 PolarHBondContact O-N 2.6Å; Y35-F52 VanDerWaalsContact O-N 3.08Å; F52-L109 HydrophobicContact CD2-CD2 3.68Å; F52-L109 HydrophobicContact CE2-CD2 3.55Å; F52-L109 HydrophobicContact CG-CD2 4.29Å; F52-L109 HydrophobicContact CZ-CD2 4.07Å; F52-P110 VanDerWaalsContact CD1-CD 3.49Å; F52-P110 HydrophobicContact CD1-CG 3.48Å; F52-P110 VanDerWaalsContact CD1-CG 3.48Å; F52-P110 HydrophobicContact CE1-CG 3.74Å; F52-P110 HydrophobicContact CG-CG 4.5Å; F52-A113 HydrophobicContact CE1-CB 3.85Å; F52-A113 HydrophobicContact CZ-CB 3.82Å
53D90.1Very high93.8Very high67 Ų6755.3 Ų55.336%0.35830%0.298SS..THydrogen-bonded Turntrans-74.8-6.9161.265.8-1000113.5E34 C51 V55 R57E34-D53 HydrophobicContact CG-CB 4.49Å; C51-D53 WeakPolarHBondContact CB-OD1 3.33Å; C51-D53 PolarHBondContact O-N 3.06Å; C51-D53 VanDerWaalsContact O-N 3.16Å; D53-V55 WeakPolarHBondContact OD1-CB 3.38Å; D53-V55 PolarHBondContact OD1-N 3.2Å; D53-R57 IonicContact OD2-CZ 2.71Å; D53-R57 VanDerWaalsContact OD2-CZ 3.3Å; D53-R57 IonicContact OD2-NE 3.73Å; D53-R57 PolarHBondContact OD2-NE 2.9Å; D53-R57 IonicContact OD2-NH2 3.56Å; D53-R57 PolarHBondContact OD2-NH2 3.46Å
54G90.7Very high93.7Very high47 Ų4761.1 Ų61.149%0.48531%0.311SS..SBendtrans91.1-1.7-176.700000115C51C51-G54 PolarHBondContact O-N 3.37Å
55V93.5Very high93.4Very high51 Ų5154.9 Ų54.931%0.30928%0.277SS..  trans-96.5129.3-175.7-1740000111.2C51 D53 R57C51-V55 WeakPolarHBondContact CB-O 3.34Å; C51-V55 PolarHBondContact N-O 2.8Å; D53-V55 WeakPolarHBondContact OD1-CB 3.38Å; D53-V55 PolarHBondContact OD1-N 3.2Å; V55-R57 HydrophobicContact CB-CG 4.34Å; V55-R57 HydrophobicContact CG1-CG 3.89Å; V55-R57 PolarHBondContact O-N 3.44Å
56M95Very high93.2Very high104 Ų10456.1 Ų56.151%0.51228%0.276SS..EExtended strand (participates in β ladder)trans-80.1114.5169.1-62.4176.796.600110.2I39 A49 F50I39-M56 HydrophobicContact CD1-CE 3.33Å; I39-M56 HydrophobicContact CD1-CG 4.41Å; A49-M56 WeakPolarHBondContact O-CA 3.45Å; F50-M56 HydrophobicContact CD2-CG 4.01Å
57R95.4Very high92.6Very high8 Ų860.5 Ų60.53%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-112.7149.2-176.9-58.1-178.9-173.5-108.9-0.6111A49 C51 D53 V55 C59 D86A49-R57 PolarHBondContact N-O 2.83Å; A49-R57 VanDerWaalsContact N-O 3.09Å; A49-R57 PolarHBondContact O-N 2.9Å; C51-R57 VanDerWaalsContact SG-CD 3.55Å; D53-R57 IonicContact OD2-CZ 2.71Å; D53-R57 VanDerWaalsContact OD2-CZ 3.3Å; D53-R57 IonicContact OD2-NE 3.73Å; D53-R57 PolarHBondContact OD2-NE 2.9Å; D53-R57 IonicContact OD2-NH2 3.56Å; D53-R57 PolarHBondContact OD2-NH2 3.46Å; V55-R57 HydrophobicContact CB-CG 4.34Å; V55-R57 HydrophobicContact CG1-CG 3.89Å; V55-R57 PolarHBondContact O-N 3.44Å; R57-C59 PolarHBondContact O-SG 3.14Å; R57-C59 VanDerWaalsContact O-SG 3.38Å; R57-D86 IonicContact CZ-OD1 2.66Å; R57-D86 IonicContact CZ-OD2 2.72Å; R57-D86 PolarHBondContact NH1-O 3.22Å; R57-D86 IonicContact NH1-OD1 3.21Å; R57-D86 PolarHBondContact NH1-OD1 3.48Å; R57-D86 IonicContact NH1-OD2 2.73Å; R57-D86 PolarHBondContact NH1-OD2 3.09Å; R57-D86 IonicContact NH2-OD1 3.4Å; R57-D86 PolarHBondContact NH2-OD1 2.88Å; R57-D86 IonicContact NH2-OD2 2.87Å
58I96.2Very high92.2Very high79 Ų7965.2 Ų65.241%0.40532%0.319SS..EExtended strand (participates in β ladder)trans-90.7113170.1-63.3175.4000108.2L42 K87 K88 A89L42-I58 HydrophobicContact CD1-CG1 4.44Å; L42-I58 HydrophobicContact CD1-CG2 4.09Å; I58-K87 PolarHBondContact N-O 3.13Å; I58-K88 WeakPolarHBondContact O-CA 3.26Å; I58-A89 PolarHBondContact O-N 3.12Å
59C96.2Very high91.9Very high0 Ų065.4 Ų65.40%032%0.323CS..EExtended strand (participates in β ladder)trans-104.8137.9-170-39.30000110R46 L47 A49 R57 I79 A89 V91R46-C59 VanDerWaalsContact CA-O 3.29Å; R46-C59 WeakPolarHBondContact CA-O 3.29Å; L47-C59 HydrophobicContact CD1-CB 3.54Å; L47-C59 HydrophobicContact CG-CB 4.08Å; L47-C59 PolarHBondContact N-O 2.97Å; L47-C59 PolarHBondContact O-N 3.49Å; A49-C59 WeakPolarHBondContact CB-SG 3.37Å; R57-C59 PolarHBondContact O-SG 3.14Å; R57-C59 VanDerWaalsContact O-SG 3.38Å; C59-I79 HydrophobicContact CB-CD1 4.2Å; C59-I79 WeakPolarHBondContact SG-CD1 3.39Å; C59-A89 CarbonylContact C-O 3.52Å; C59-A89 VanDerWaalsContact CA-O 3.31Å; C59-A89 WeakPolarHBondContact CA-O 3.27Å; C59-V91 HydrophobicContact CB-CG2 3.81Å
60H95.2Very high91.6Very high51 Ų5175.2 Ų75.224%0.23636%0.36CS..EExtended strand (participates in β ladder)trans-107.7130179.8172.5-109.2000110.4R62 R66 A89 D90 V91H60-R62 PolarHBondContact O-N 3.18Å; H60-R66 PolarHBondContact CE1-NH2 2.71Å; H60-R66 PolarHBondContact NE2-NH2 2.87Å; H60-A89 PolarHBondContact N-O 3.22Å; H60-D90 IonicContact CG-OD1 2.66Å; H60-D90 IonicContact ND1-OD1 3.15Å; H60-D90 PolarHBondContact ND1-OD1 3.31Å; H60-D90 WeakPolarHBondContact O-CA 3.28Å; H60-V91 PolarHBondContact O-N 3.08Å
61I95.1Very high91.5Very high13 Ų1371.7 Ų71.77%0.06735%0.345CS..EExtended strand (participates in β ladder)trans-76.4111.8-175.8-56.7172.6000109.1M41 N45 L47 M65 R66 I71M41-I61 HydrophobicContact CE-CD1 4.17Å; N45-I61 HydrophobicContact CB-CB 4.37Å; N45-I61 PolarHBondContact O-N 3.19Å; L47-I61 HydrophobicContact CD2-CD1 4.45Å; L47-I61 HydrophobicContact CD2-CG1 4.3Å; I61-M65 HydrophobicContact CG2-CB 4.04Å; I61-R66 HydrophobicContact CG2-CG 4.24Å; I61-R66 PolarHBondContact O-NE 3.03Å; I61-R66 VanDerWaalsContact O-NE 3.12Å; I61-I71 HydrophobicContact CD1-CD1 4.34Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.26Å
62R92.9Very high91.5Very high147 Ų14776.4 Ų76.456%0.55537%0.37SS*.  trans-52.3138.1179.6-179.774.495.3126.33.9110.7H60 K64 M65 R66 V91H60-R62 PolarHBondContact O-N 3.18Å; R62-K64 HydrophobicContact CG-CB 4.27Å; R62-K64 PolarHBondContact O-N 3Å; R62-M65 PolarHBondContact O-N 2.93Å; R62-R66 PolarHBondContact O-N 2.94Å; R62-V91 WeakPolarHBondContact CB-O 3.48Å
63G91.7Very high91.5Very high49 Ų4976.7 Ų76.751%0.50538%0.382SS..THydrogen-bonded Turntrans-50.8-32.8-177.800000114.9M65 R66G63-M65 VanDerWaalsContact C-N 3.32Å; G63-M65 PolarHBondContact O-N 3.2Å; G63-R66 PolarHBondContact O-N 3.4Å
64K89.1Confident91.6Very high164 Ų16474.6 Ų74.671%0.71338%0.376SS*.THydrogen-bonded Turntrans-60.1-35.7176.7-172.1-178.2177.7-172.10113.3R62 K68R62-K64 HydrophobicContact CG-CB 4.27Å; R62-K64 PolarHBondContact O-N 3Å; K64-K68 WeakPolarHBondContact O-CD 3.09Å
65M87.2Confident91.8Very high9 Ų973 Ų734%0.04436%0.357CS..THydrogen-bonded Turntrans-84.7-27-178.7-64179.481.700112.7I61 R62 G63 K67 K68 V69 I71 V91 K94I61-M65 HydrophobicContact CG2-CB 4.04Å; R62-M65 PolarHBondContact O-N 2.93Å; G63-M65 VanDerWaalsContact C-N 3.32Å; G63-M65 PolarHBondContact O-N 3.2Å; M65-K67 PolarHBondContact O-N 2.76Å; M65-K68 PolarHBondContact O-N 3.15Å; M65-V69 HydrophobicContact CB-CB 4.32Å; M65-V69 HydrophobicContact CE-CB 3.96Å; M65-V69 HydrophobicContact CE-CG1 3.76Å; M65-V69 HydrophobicContact CE-CG2 4.43Å; M65-V69 PolarHBondContact O-N 2.73Å; M65-I71 HydrophobicContact CE-CD1 3.79Å; M65-I71 HydrophobicContact CE-CG1 4.28Å; M65-I71 HydrophobicContact SD-CD1 4.46Å; M65-V91 HydrophobicContact CE-CG1 4.25Å; M65-V91 HydrophobicContact SD-CB 4.44Å; M65-V91 HydrophobicContact SD-CG1 3.86Å; M65-K94 HydrophobicContact CE-CB 3.82Å
66R87.1Confident91.7Very high100 Ų10070.9 Ų70.938%0.37734%0.343SS..THydrogen-bonded Turntrans-55.8123.7-176.5-62.5-176.4-175.4-172-2.5110.9H60 I61 R62 G63 K68H60-R66 PolarHBondContact CE1-NH2 2.71Å; H60-R66 PolarHBondContact NE2-NH2 2.87Å; I61-R66 HydrophobicContact CG2-CG 4.24Å; I61-R66 PolarHBondContact O-NE 3.03Å; I61-R66 VanDerWaalsContact O-NE 3.12Å; R62-R66 PolarHBondContact O-N 2.94Å; G63-R66 PolarHBondContact O-N 3.4Å; R66-K68 PolarHBondContact O-N 3.21Å
67K83.5Confident91.7Very high208 Ų20865.9 Ų65.990%0.90432%0.319SS*.THydrogen-bonded Turntrans66.20.5-176.3-48.9178.4179.4179.80115.9M65M65-K67 PolarHBondContact O-N 2.76Å
68K86.4Confident91.7Very high100 Ų10065.6 Ų65.644%0.43532%0.317SS..THydrogen-bonded Turntrans-98.6-58169.4-67.5-165.3-176179.10110.9E18 K64 M65 R66E18-K68 IonicContact OE2-NZ 2.87Å; E18-K68 PolarHBondContact OE2-NZ 3.13Å; K64-K68 WeakPolarHBondContact O-CD 3.09Å; M65-K68 PolarHBondContact O-N 3.15Å; R66-K68 PolarHBondContact O-N 3.21Å
69V89.5Confident91.7Very high43 Ų4361.8 Ų61.826%0.26130%0.298SS..SBendtrans-107.8131-175.8-176.90000108.9M65 K94M65-V69 HydrophobicContact CB-CB 4.32Å; M65-V69 HydrophobicContact CE-CB 3.96Å; M65-V69 HydrophobicContact CE-CG1 3.76Å; M65-V69 HydrophobicContact CE-CG2 4.43Å; M65-V69 PolarHBondContact O-N 2.73Å; V69-K94 HydrophobicContact CG1-CB 3.94Å; V69-K94 HydrophobicContact CG1-CD 4.01Å; V69-K94 HydrophobicContact CG1-CG 4.46Å
70W90.4Very high91.6Very high205 Ų20562.4 Ų62.478%0.77731%0.305SS*.  trans-98.7131177-68.761.9000109K94W70-K94 WeakPolarHBondContact O-CD 3.48Å; W70-K94 PolarHBondContact O-NZ 3.44Å
71I92.6Very high91.6Very high12 Ų1262.9 Ų62.96%0.06231%0.308CS..  trans-121.1125.9-177.3-53.1172.4000107.4V38 M41 L47 I61 M65 D75 V77 V91 K94V38-I71 HydrophobicContact CG2-CG2 3.78Å; M41-I71 VanDerWaalsContact CE-O 3.27Å; M41-I71 WeakPolarHBondContact CE-O 3.47Å; L47-I71 HydrophobicContact CD2-CG2 3.86Å; I61-I71 HydrophobicContact CD1-CD1 4.34Å; I61-I71 HydrophobicContact CG1-CD1 4.28Å; I61-I71 HydrophobicContact CG2-CD1 4.26Å; M65-I71 HydrophobicContact CE-CD1 3.79Å; M65-I71 HydrophobicContact CE-CG1 4.28Å; M65-I71 HydrophobicContact SD-CD1 4.46Å; I71-D75 WeakPolarHBondContact CA-OD2 3.38Å; I71-D75 HydrophobicContact CG2-CB 4.29Å; I71-V77 HydrophobicContact CG2-CG1 4.2Å; I71-V91 HydrophobicContact CD1-CG1 4.05Å; I71-K94 HydrophobicContact CG1-CD 4.3Å
72N92.3Very high91.5Very high98 Ų9865 Ų6552%0.52432%0.316SS..  trans-112.5174.2178.8-64.9-18.4000109.9V38 D75V38-N72 WeakPolarHBondContact CB-O 3.48Å; V38-N72 WeakPolarHBondContact CG1-O 3.28Å; N72-D75 PolarHBondContact N-OD2 3.27Å
73A92.6Very high91.5Very high55 Ų5565.6 Ų65.646%0.45533%0.33SS..THydrogen-bonded Turntrans-65.4150.6164.800000110.3D75A73-D75 PolarHBondContact O-N 3.49Å
74G91.7Very high91.5Very high23 Ų2370.4 Ų70.424%0.23734%0.337CS..THydrogen-bonded Turntrans83.7-22-176.600000115.2Q37 V38Q37-G74 PolarHBondContact NE2-O 3.37Å; V38-G74 PolarHBondContact O-N 2.63Å
75D93.5Very high91.6Very high15 Ų1565.9 Ų65.98%0.0832%0.318CS..  trans-59.1143.1177.3-81.5-33.9000112.3V38 I71 N72 A73 K94V38-D75 HydrophobicContact CG2-CB 4.35Å; V38-D75 PolarHBondContact N-O 3.12Å; I71-D75 WeakPolarHBondContact CA-OD2 3.38Å; I71-D75 HydrophobicContact CG2-CB 4.29Å; N72-D75 PolarHBondContact N-OD2 3.27Å; A73-D75 PolarHBondContact O-N 3.49Å; D75-K94 VanDerWaalsContact CG-CE 3.5Å; D75-K94 VanDerWaalsContact OD1-CE 3.26Å; D75-K94 WeakPolarHBondContact OD1-CE 3.18Å; D75-K94 IonicContact OD1-NZ 3.14Å; D75-K94 PolarHBondContact OD1-NZ 3.48Å; D75-K94 WeakPolarHBondContact OD2-CE 3.47Å; D75-K94 IonicContact OD2-NZ 2.73Å; D75-K94 PolarHBondContact OD2-NZ 3.43Å
76I93.3Very high91.9Very high5 Ų569.4 Ų69.43%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-91.7131.1169.8-52-57.2000109.3A36 Q37 Y95 A100 L109A36-I76 WeakPolarHBondContact O-CA 3.38Å; Q37-I76 HydrophobicContact CB-CD1 3.89Å; Q37-I76 HydrophobicContact CG-CD1 4.07Å; I76-Y95 HydrophobicContact CG2-CD2 4.1Å; I76-Y95 PolarHBondContact O-N 2.86Å; I76-A100 HydrophobicContact CB-CB 4.27Å; I76-A100 HydrophobicContact CG1-CB 4.09Å; I76-L109 HydrophobicContact CG2-CD1 4.24Å
77V94.3Very high92.2Very high0 Ų072.4 Ų72.40%035%0.353CS..EExtended strand (participates in β ladder)trans-133.6149.4-174.6-66.50000111.4A36 V38 I71 I79 V91 L93 K94A36-V77 HydrophobicContact CB-CG2 4.21Å; A36-V77 PolarHBondContact N-O 3.2Å; A36-V77 WeakPolarHBondContact O-CG2 3.44Å; A36-V77 PolarHBondContact O-N 3.47Å; V38-V77 HydrophobicContact CG2-CG1 3.95Å; V38-V77 HydrophobicContact CG2-CG2 3.96Å; I71-V77 HydrophobicContact CG2-CG1 4.2Å; V77-I79 HydrophobicContact CG2-CD1 4.09Å; V77-I79 HydrophobicContact CG2-CG1 3.95Å; V77-V91 HydrophobicContact CB-CG1 4.02Å; V77-V91 HydrophobicContact CG1-CG1 4.18Å; V77-L93 WeakPolarHBondContact CA-O 3.36Å; V77-L93 WeakPolarHBondContact CB-O 3.47Å; V77-K94 HydrophobicContact CG1-CB 4.23Å
78L94.9Very high92.8Very high1 Ų166.4 Ų66.41%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-90.7130.5168.2-172.361.8000109.2V27 K29 Q33 Y35 I92 L93 Y95V27-L78 HydrophobicContact CG1-CD2 4.15Å; K29-L78 HydrophobicContact CB-CD1 3.87Å; Q33-L78 HydrophobicContact CB-CD1 4.24Å; Y35-L78 HydrophobicContact CD1-CD1 3.95Å; Y35-L78 HydrophobicContact CE1-CD1 4.1Å; L78-I92 HydrophobicContact CD2-CG2 4.36Å; L78-I92 HydrophobicContact CG-CB 4.46Å; L78-I92 PolarHBondContact O-N 2.83Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.46Å; L78-L93 PolarHBondContact N-O 2.67Å; L78-L93 PolarHBondContact O-N 3.06Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å
79I95.5Very high93.2Very high0 Ų061.7 Ų61.70%031%0.307CS..EExtended strand (participates in β ladder)trans-120.1130.2-174.2-63.2-162.4000109.9Q33 E34 A36 A49 C59 V77 L81 A89Q33-I79 CarbonylContact C-O 3.51Å; Q33-I79 WeakPolarHBondContact CA-O 3.19Å; E34-I79 PolarHBondContact N-O 3.01Å; E34-I79 WeakPolarHBondContact O-CB 3.34Å; E34-I79 PolarHBondContact O-N 2.93Å; A36-I79 HydrophobicContact CB-CD1 3.34Å; A36-I79 HydrophobicContact CB-CG1 3.87Å; A49-I79 HydrophobicContact CB-CD1 3.75Å; C59-I79 HydrophobicContact CB-CD1 4.2Å; C59-I79 WeakPolarHBondContact SG-CD1 3.39Å; V77-I79 HydrophobicContact CG2-CD1 4.09Å; V77-I79 HydrophobicContact CG2-CG1 3.95Å; I79-L81 HydrophobicContact CG2-CD2 4.27Å; I79-A89 HydrophobicContact CG2-CB 3.18Å
80G95.5Very high93.5Very high13 Ų1361.1 Ų61.113%0.13430%0.302CS..EExtended strand (participates in β ladder)trans-87.6122.8166.400000110.3A89 D90G80-A89 WeakPolarHBondContact O-CB 3.44Å; G80-D90 PolarHBondContact N-O 2.93Å; G80-D90 PolarHBondContact O-N 3.21Å
81L94.3Very high93.7Very high60 Ų6051.4 Ų51.431%0.31427%0.265SS..  trans-74.7167.2177.1-55.5-174.9000110.9G32 I79 A89G32-L81 WeakPolarHBondContact O-CB 3.22Å; G32-L81 PolarHBondContact O-N 2.78Å; I79-L81 HydrophobicContact CG2-CD2 4.27Å; L81-A89 HydrophobicContact CD2-CB 4.45Å
82R93.5Very high93.8Very high59 Ų5953.8 Ų53.822%0.22328%0.277CS..  trans-122.9115.3175.8-63.2176.2179.9-167.80.5109.2F84 Q85 K88 D90R82-F84 HydrophobicContact CB-CE1 4.24Å; R82-F84 HydrophobicContact CB-CZ 4.37Å; R82-F84 HydrophobicContact CG-CZ 4.46Å; R82-F84 PolarHBondContact O-N 3.37Å; R82-Q85 CarbonylContact O-C 3.56Å; R82-Q85 PolarHBondContact O-N 3.48Å; R82-K88 WeakPolarHBondContact CD-O 3.42Å; R82-D90 IonicContact CZ-OD2 3.3Å; R82-D90 IonicContact NE-OD2 3.68Å; R82-D90 PolarHBondContact NE-OD2 2.79Å; R82-D90 IonicContact NH2-OD1 3.21Å; R82-D90 PolarHBondContact NH2-OD1 3.03Å; R82-D90 IonicContact NH2-OD2 3.6Å; R82-D90 PolarHBondContact NH2-OD2 3.12Å
83D91.8Very high93.8Very high159 Ų15951.8 Ų51.885%0.8527%0.267SS*.THydrogen-bonded Turntrans-44.8-45.1172.560.9-33.2000113.3
84F92.1Very high93.8Very high150 Ų15051.1 Ų51.166%0.65825%0.254SS*.THydrogen-bonded Turntrans-85.2-12.3-178.367-95.7000115.1R82R82-F84 HydrophobicContact CB-CE1 4.24Å; R82-F84 HydrophobicContact CB-CZ 4.37Å; R82-F84 HydrophobicContact CG-CZ 4.46Å; R82-F84 PolarHBondContact O-N 3.37Å
85Q92.5Very high93.9Very high68 Ų6850.2 Ų50.232%0.31824%0.243SC..  trans-155.281.4-176.1-174.1158.247.300113.2R82 K87 K88R82-Q85 CarbonylContact O-C 3.56Å; R82-Q85 PolarHBondContact O-N 3.48Å; Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 2.86Å; Q85-K87 VanDerWaalsContact O-N 3.14Å; Q85-K88 HydrophobicContact CG-CB 4.15Å; Q85-K88 HydrophobicContact CG-CD 4.35Å; Q85-K88 HydrophobicContact CG-CG 4.09Å; Q85-K88 PolarHBondContact O-N 2.71Å; Q85-K88 VanDerWaalsContact OE1-CD 3.24Å
86D92.4Very high93.7Very high84 Ų8453.6 Ų53.645%0.44926%0.261SS..THydrogen-bonded Turntrans-46.6-44177.4-170.776.7000114.4R57 K88R57-D86 IonicContact CZ-OD1 2.66Å; R57-D86 IonicContact CZ-OD2 2.72Å; R57-D86 PolarHBondContact NH1-O 3.22Å; R57-D86 IonicContact NH1-OD1 3.21Å; R57-D86 PolarHBondContact NH1-OD1 3.48Å; R57-D86 IonicContact NH1-OD2 2.73Å; R57-D86 PolarHBondContact NH1-OD2 3.09Å; R57-D86 IonicContact NH2-OD1 3.4Å; R57-D86 PolarHBondContact NH2-OD1 2.88Å; R57-D86 IonicContact NH2-OD2 2.87Å; D86-K88 PolarHBondContact O-N 3.3Å
87K93.9Very high93.4Very high162 Ų16255.4 Ų55.470%0.70427%0.274SS*.THydrogen-bonded Turntrans-61.7-9.9179.1-62.1-174.3179.9-177.90115.1I58 Q85I58-K87 PolarHBondContact N-O 3.13Å; Q85-K87 VanDerWaalsContact C-N 3.29Å; Q85-K87 PolarHBondContact O-N 2.86Å; Q85-K87 VanDerWaalsContact O-N 3.14Å
88K94.8Very high93.1Very high83 Ų8361.1 Ų61.136%0.36130%0.301SS..EExtended strand (participates in β ladder)trans-129.4146179.2-62.8-173.7-161.7148.40111.4I58 R82 Q85 D86I58-K88 WeakPolarHBondContact O-CA 3.26Å; R82-K88 WeakPolarHBondContact CD-O 3.42Å; Q85-K88 HydrophobicContact CG-CB 4.15Å; Q85-K88 HydrophobicContact CG-CD 4.35Å; Q85-K88 HydrophobicContact CG-CG 4.09Å; Q85-K88 PolarHBondContact O-N 2.71Å; Q85-K88 VanDerWaalsContact OE1-CD 3.24Å; D86-K88 PolarHBondContact O-N 3.3Å
89A96.1Very high92.9Very high0 Ų062.9 Ų62.90%031%0.309CS..EExtended strand (participates in β ladder)trans-147.2172.7-179.900000111.3I58 C59 H60 I79 G80 L81I58-A89 PolarHBondContact O-N 3.12Å; C59-A89 CarbonylContact C-O 3.52Å; C59-A89 VanDerWaalsContact CA-O 3.31Å; C59-A89 WeakPolarHBondContact CA-O 3.27Å; H60-A89 PolarHBondContact N-O 3.22Å; I79-A89 HydrophobicContact CG2-CB 3.18Å; G80-A89 WeakPolarHBondContact O-CB 3.44Å; L81-A89 HydrophobicContact CD2-CB 4.45Å
90D95.3Very high92.6Very high32 Ų3263 Ų6317%0.17131%0.31CS..EExtended strand (participates in β ladder)trans-121.8134.5175.9-70.4-91.8000110.8H60 G80 R82 I92H60-D90 IonicContact CG-OD1 2.66Å; H60-D90 IonicContact ND1-OD1 3.15Å; H60-D90 PolarHBondContact ND1-OD1 3.31Å; H60-D90 WeakPolarHBondContact O-CA 3.28Å; G80-D90 PolarHBondContact N-O 2.93Å; G80-D90 PolarHBondContact O-N 3.21Å; R82-D90 IonicContact CZ-OD2 3.3Å; R82-D90 IonicContact NE-OD2 3.68Å; R82-D90 PolarHBondContact NE-OD2 2.79Å; R82-D90 IonicContact NH2-OD1 3.21Å; R82-D90 PolarHBondContact NH2-OD1 3.03Å; R82-D90 IonicContact NH2-OD2 3.6Å; R82-D90 PolarHBondContact NH2-OD2 3.12Å; D90-I92 PolarHBondContact O-N 2.82Å
91V95.2Very high92.2Very high0 Ų069.3 Ų69.30%033%0.33CS..EExtended strand (participates in β ladder)trans-75123.2177.7-174.50000109.3L47 C59 H60 R62 M65 I71 V77L47-V91 HydrophobicContact CD2-CG2 4.23Å; C59-V91 HydrophobicContact CB-CG2 3.81Å; H60-V91 PolarHBondContact O-N 3.08Å; R62-V91 WeakPolarHBondContact CB-O 3.48Å; M65-V91 HydrophobicContact CE-CG1 4.25Å; M65-V91 HydrophobicContact SD-CB 4.44Å; M65-V91 HydrophobicContact SD-CG1 3.86Å; I71-V91 HydrophobicContact CD1-CG1 4.05Å; V77-V91 HydrophobicContact CB-CG1 4.02Å; V77-V91 HydrophobicContact CG1-CG1 4.18Å
92I94.1Very high91.9Very high62 Ų6270.2 Ų70.232%0.31834%0.335SS..EExtended strand (participates in β ladder)trans-92-51.3-179-62.9175000110.5Q33 L78 D90Q33-I92 HydrophobicContact CG-CD1 3.88Å; L78-I92 HydrophobicContact CD2-CG2 4.36Å; L78-I92 HydrophobicContact CG-CB 4.46Å; L78-I92 PolarHBondContact O-N 2.83Å; D90-I92 PolarHBondContact O-N 2.82Å
93L92.9Very high91.8Very high57 Ų5767.4 Ų67.430%0.29832%0.324SS..EExtended strand (participates in β ladder)trans-142.6152.1-172.7-173.563.2000109.8V27 V77 L78 Y95V27-L93 HydrophobicContact CB-CD2 3.92Å; V27-L93 HydrophobicContact CG2-CD2 4.1Å; V77-L93 WeakPolarHBondContact CA-O 3.36Å; V77-L93 WeakPolarHBondContact CB-O 3.47Å; L78-L93 HydrophobicContact CB-CB 4.01Å; L78-L93 HydrophobicContact CD2-CB 4.46Å; L78-L93 PolarHBondContact N-O 2.67Å; L78-L93 PolarHBondContact O-N 3.06Å; L93-Y95 HydrophobicContact CD2-CD1 4.48Å; L93-Y95 HydrophobicContact CD2-CE1 4.01Å
94K93.1Very high91.6Very high41 Ų4163.9 Ų63.918%0.17830%0.301CS..EExtended strand (participates in β ladder)trans-108.9135.6163.8163.1176165.8163.10106.9M65 V69 W70 I71 D75 V77M65-K94 HydrophobicContact CE-CB 3.82Å; V69-K94 HydrophobicContact CG1-CB 3.94Å; V69-K94 HydrophobicContact CG1-CD 4.01Å; V69-K94 HydrophobicContact CG1-CG 4.46Å; W70-K94 WeakPolarHBondContact O-CD 3.48Å; W70-K94 PolarHBondContact O-NZ 3.44Å; I71-K94 HydrophobicContact CG1-CD 4.3Å; D75-K94 VanDerWaalsContact CG-CE 3.5Å; D75-K94 VanDerWaalsContact OD1-CE 3.26Å; D75-K94 WeakPolarHBondContact OD1-CE 3.18Å; D75-K94 IonicContact OD1-NZ 3.14Å; D75-K94 PolarHBondContact OD1-NZ 3.48Å; D75-K94 WeakPolarHBondContact OD2-CE 3.47Å; D75-K94 IonicContact OD2-NZ 2.73Å; D75-K94 PolarHBondContact OD2-NZ 3.43Å; V77-K94 HydrophobicContact CG1-CB 4.23Å
95Y92.4Very high91.4Very high4 Ų462.4 Ų62.42%0.01631%0.305CS..  trans-87.1143.3171.2-63.2-77.4000110.7L26 V27 Y35 I76 L78 L93 E99 L103L26-Y95 HydrophobicContact CD1-CD1 4.14Å; L26-Y95 HydrophobicContact CD1-CE1 4.11Å; V27-Y95 WeakPolarHBondContact O-CE1 3.43Å; V27-Y95 PolarHBondContact O-OH 3.07Å; Y35-Y95 AromaticContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CD1-CE2 3.94Å; Y35-Y95 HydrophobicContact CE1-CE2 4.23Å; Y35-Y95 WeakPolarHBondContact CE1-OH 3.31Å; I76-Y95 HydrophobicContact CG2-CD2 4.1Å; I76-Y95 PolarHBondContact O-N 2.86Å; L78-Y95 HydrophobicContact CB-CE2 3.8Å; L93-Y95 HydrophobicContact CD2-CD1 4.48Å; L93-Y95 HydrophobicContact CD2-CE1 4.01Å; Y95-E99 VanDerWaalsContact CA-OE2 3.31Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.41Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; Y95-L103 HydrophobicContact CD1-CD1 3.93Å; Y95-L103 HydrophobicContact CD2-CD1 3.94Å; Y95-L103 HydrophobicContact CE1-CD1 3.89Å; Y95-L103 HydrophobicContact CE2-CD1 3.92Å; Y95-L103 HydrophobicContact CG-CD1 3.93Å
96N89.8Confident91.3Very high85 Ų8566.4 Ų66.446%0.45532%0.318SS..  trans-71.2160.4165.9-65.9-51.6000110.4E98 E99 A100N96-E98 PolarHBondContact O-N 2.9Å; N96-E99 HydrophobicContact CB-CB 4.5Å; N96-E99 HydrophobicContact CB-CG 4.26Å; N96-E99 PolarHBondContact N-OE2 2.95Å; N96-E99 PolarHBondContact ND2-OE1 3.08Å; N96-E99 PolarHBondContact O-N 2.86Å; N96-E99 VanDerWaalsContact O-N 3.09Å; N96-A100 PolarHBondContact O-N 3.01Å
97S87.9Confident91Very high44 Ų4465.4 Ų65.431%0.30833%0.327SS..Hα-helixtrans-61.1-29.8179.7-51.70000113.2R101S97-R101 WeakPolarHBondContact O-CG 3.44Å; S97-R101 PolarHBondContact O-N 2.87Å
98E87.4Confident90.5Very high119 Ų11961.1 Ų61.156%0.55631%0.31SS*.Hα-helixtrans-68.6-46.7171.9-65.7-177.1-175.600112.1N96 A100 R101 N102N96-E98 PolarHBondContact O-N 2.9Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.78Å; E98-R101 PolarHBondContact O-N 3.33Å; E98-N102 VanDerWaalsContact O-CG 3.3Å; E98-N102 PolarHBondContact O-N 2.88Å; E98-N102 PolarHBondContact O-OD1 3.35Å
99E89.8Confident90Very high39 Ų3957.4 Ų57.418%0.18229%0.294CS..Hα-helixtrans-62.5-40.1177.9-68.3161.3-172.500111.6L26 Y95 N96 N102 L103L26-E99 HydrophobicContact CD1-CB 3.72Å; L26-E99 HydrophobicContact CD1-CG 4.08Å; Y95-E99 VanDerWaalsContact CA-OE2 3.31Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.41Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; N96-E99 HydrophobicContact CB-CB 4.5Å; N96-E99 HydrophobicContact CB-CG 4.26Å; N96-E99 PolarHBondContact N-OE2 2.95Å; N96-E99 PolarHBondContact ND2-OE1 3.08Å; N96-E99 PolarHBondContact O-N 2.86Å; N96-E99 VanDerWaalsContact O-N 3.09Å; E99-N102 WeakPolarHBondContact O-CB 3.37Å; E99-N102 PolarHBondContact O-N 2.88Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 2.89Å
100A89.2Confident89.3Confident2 Ų260.2 Ų60.22%0.01731%0.312CS..Hα-helixtrans-65.1-37.1175.400000112.7I76 N96 E98 L103 K104 I115I76-A100 HydrophobicContact CB-CB 4.27Å; I76-A100 HydrophobicContact CG1-CB 4.09Å; N96-A100 PolarHBondContact O-N 3.01Å; E98-A100 VanDerWaalsContact C-N 3.33Å; E98-A100 PolarHBondContact O-N 2.78Å; A100-L103 PolarHBondContact O-N 3.18Å; A100-K104 PolarHBondContact O-N 3.37Å; A100-I115 HydrophobicContact CB-CD1 4.3Å; A100-I115 HydrophobicContact CB-CG1 4.22Å; A100-I115 HydrophobicContact CB-CG2 3.55Å; A100-I115 WeakPolarHBondContact O-CD1 3.19Å
101R87.7Confident88.3Confident145 Ų14566.5 Ų66.555%0.54734%0.34SS..Hα-helixtrans-64.9-42.8170.9-71.9-179.7-148.2127.6-0.5111.2S97 E98 L103 K104 T105S97-R101 WeakPolarHBondContact O-CG 3.44Å; S97-R101 PolarHBondContact O-N 2.87Å; E98-R101 PolarHBondContact O-N 3.33Å; R101-L103 PolarHBondContact O-N 3.3Å; R101-K104 WeakPolarHBondContact O-CB 3.29Å; R101-K104 PolarHBondContact O-N 2.92Å; R101-K104 VanDerWaalsContact O-N 3.14Å; R101-T105 PolarHBondContact O-N 2.95Å; R101-T105 PolarHBondContact O-OG1 3.09Å
102N89.2Confident87.4Confident79 Ų7972.2 Ų72.242%0.42238%0.376SS..Hα-helixtrans-61.1-43.1177.1-65.5-12.7000111.4L26 E98 E99 K104 T105 Y106L26-N102 HydrophobicContact CD2-CB 4.28Å; E98-N102 VanDerWaalsContact O-CG 3.3Å; E98-N102 PolarHBondContact O-N 2.88Å; E98-N102 PolarHBondContact O-OD1 3.35Å; E99-N102 WeakPolarHBondContact O-CB 3.37Å; E99-N102 PolarHBondContact O-N 2.88Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.38Å; N102-T105 CarbonylContact O-C 3.56Å; N102-T105 WeakPolarHBondContact O-CA 3.42Å; N102-T105 WeakPolarHBondContact O-CB 3.21Å; N102-T105 PolarHBondContact O-N 2.87Å; N102-Y106 HydrophobicContact CB-CD2 4.44Å; N102-Y106 HydrophobicContact CB-CE2 4.19Å; N102-Y106 WeakPolarHBondContact O-CD2 3.39Å; N102-Y106 PolarHBondContact O-N 2.85Å
103L89.5Confident86.6Confident0 Ų069.6 Ų69.60%036%0.363CS..Hα-helixtrans-57.6-40.1173.7-74.5169.2000112.5L26 F28 Y35 Y95 E99 A100 R101 Y106 G107 E108 L109L26-L103 HydrophobicContact CD1-CD2 4.4Å; L26-L103 HydrophobicContact CD1-CG 4.15Å; L26-L103 HydrophobicContact CD2-CD2 3.82Å; L26-L103 HydrophobicContact CD2-CG 4.06Å; L26-L103 HydrophobicContact CG-CD2 4.24Å; L26-L103 HydrophobicContact CG-CG 4.48Å; F28-L103 HydrophobicContact CD1-CD2 4.39Å; Y35-L103 HydrophobicContact CD1-CD1 4.38Å; Y35-L103 HydrophobicContact CE1-CD1 4.15Å; Y35-L103 HydrophobicContact CE1-CD2 3.97Å; Y95-L103 HydrophobicContact CD1-CD1 3.93Å; Y95-L103 HydrophobicContact CD2-CD1 3.94Å; Y95-L103 HydrophobicContact CE1-CD1 3.89Å; Y95-L103 HydrophobicContact CE2-CD1 3.92Å; Y95-L103 HydrophobicContact CG-CD1 3.93Å; E99-L103 WeakPolarHBondContact O-CG 3.45Å; E99-L103 PolarHBondContact O-N 2.89Å; A100-L103 PolarHBondContact O-N 3.18Å; R101-L103 PolarHBondContact O-N 3.3Å; L103-Y106 PolarHBondContact O-N 3.38Å; L103-G107 PolarHBondContact O-N 2.85Å; L103-E108 HydrophobicContact CD2-CB 4.05Å; L103-E108 HydrophobicContact CD2-CG 4.32Å; L103-E108 PolarHBondContact O-N 2.95Å; L103-E108 VanDerWaalsContact O-N 3.12Å; L103-L109 HydrophobicContact CB-CD1 3.67Å; L103-L109 HydrophobicContact CB-CG 3.97Å; L103-L109 HydrophobicContact CD1-CD1 4.18Å
104K88.9Confident85.9Confident85 Ų8574.4 Ų74.437%0.3738%0.377SS..Hα-helixtrans-65.3-39.8172.8179.6168170.4166.60111.9A100 R101 N102 Y106 G107 E111 I115A100-K104 PolarHBondContact O-N 3.37Å; R101-K104 WeakPolarHBondContact O-CB 3.29Å; R101-K104 PolarHBondContact O-N 2.92Å; R101-K104 VanDerWaalsContact O-N 3.14Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 3.38Å; K104-Y106 VanDerWaalsContact C-N 3.35Å; K104-Y106 PolarHBondContact O-N 2.87Å; K104-G107 PolarHBondContact O-N 2.85Å; K104-E111 PolarHBondContact NZ-O 2.89Å; K104-I115 HydrophobicContact CB-CD1 4.07Å; K104-I115 HydrophobicContact CD-CD1 4.05Å
105T88.2Confident85.1Confident120 Ų12074.1 Ų74.174%0.73638%0.377SS*.Hα-helixtrans-65.8-32.8174.1-55.80000113.3R101 N102 G107R101-T105 PolarHBondContact O-N 2.95Å; R101-T105 PolarHBondContact O-OG1 3.09Å; N102-T105 CarbonylContact O-C 3.56Å; N102-T105 WeakPolarHBondContact O-CA 3.42Å; N102-T105 WeakPolarHBondContact O-CB 3.21Å; N102-T105 PolarHBondContact O-N 2.87Å; T105-G107 VanDerWaalsContact C-N 3.27Å; T105-G107 PolarHBondContact O-N 3.37Å
106Y89.2Confident83.7Confident152 Ų15278 Ų7860%0.59640%0.398SS*.THydrogen-bonded Turntrans-76.6-8.8174.1-71.3-61.4000113.9L26 F28 N102 L103 K104 E108L26-Y106 HydrophobicContact CD2-CD2 3.68Å; L26-Y106 HydrophobicContact CD2-CE2 3.64Å; F28-Y106 HydrophobicContact CE1-CD2 4.06Å; F28-Y106 HydrophobicContact CE1-CG 4.21Å; F28-Y106 HydrophobicContact CZ-CD2 4.08Å; F28-Y106 HydrophobicContact CZ-CE2 4.2Å; F28-Y106 HydrophobicContact CZ-CG 4.38Å; N102-Y106 HydrophobicContact CB-CD2 4.44Å; N102-Y106 HydrophobicContact CB-CE2 4.19Å; N102-Y106 WeakPolarHBondContact O-CD2 3.39Å; N102-Y106 PolarHBondContact O-N 2.85Å; L103-Y106 PolarHBondContact O-N 3.38Å; K104-Y106 VanDerWaalsContact C-N 3.35Å; K104-Y106 PolarHBondContact O-N 2.87Å; Y106-E108 VanDerWaalsContact C-N 3.3Å
107G87Confident82.2Confident62 Ų6279.4 Ų79.464%0.63940%0.402SS*.THydrogen-bonded Turntrans78.69.1-177.600000114.8L103 K104 T105 L109L103-G107 PolarHBondContact O-N 2.85Å; K104-G107 PolarHBondContact O-N 2.85Å; T105-G107 VanDerWaalsContact C-N 3.27Å; T105-G107 PolarHBondContact O-N 3.37Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.01Å
108E83.7Confident80.1Confident72 Ų7279.5 Ų79.534%0.33641%0.411SS..SBendtrans-73.5-21.3178.8-74.2-72.3133.800113.1F28 Y35 L103 Y106F28-E108 HydrophobicContact CD1-CG 3.96Å; F28-E108 HydrophobicContact CE1-CG 4.12Å; Y35-E108 HydrophobicContact CE2-CB 3.81Å; Y35-E108 HydrophobicContact CE2-CG 4.46Å; Y35-E108 WeakPolarHBondContact CE2-OE2 3.07Å; Y35-E108 PolarHBondContact OH-OE2 2.9Å; L103-E108 HydrophobicContact CD2-CB 4.05Å; L103-E108 HydrophobicContact CD2-CG 4.32Å; L103-E108 PolarHBondContact O-N 2.95Å; L103-E108 VanDerWaalsContact O-N 3.12Å; Y106-E108 VanDerWaalsContact C-N 3.3Å
109L82.6Confident77.8Confident5 Ų580.8 Ų80.83%0.02643%0.426CS..SBendtrans-120.8139.8177.3-63.4177.5000109.9Y35 F52 I76 L103 G107 A113Y35-L109 HydrophobicContact CD2-CD2 3.72Å; Y35-L109 HydrophobicContact CG-CD2 3.74Å; F52-L109 HydrophobicContact CD2-CD2 3.68Å; F52-L109 HydrophobicContact CE2-CD2 3.55Å; F52-L109 HydrophobicContact CG-CD2 4.29Å; F52-L109 HydrophobicContact CZ-CD2 4.07Å; I76-L109 HydrophobicContact CG2-CD1 4.24Å; L103-L109 HydrophobicContact CB-CD1 3.67Å; L103-L109 HydrophobicContact CB-CG 3.97Å; L103-L109 HydrophobicContact CD1-CD1 4.18Å; G107-L109 VanDerWaalsContact C-N 3.29Å; G107-L109 PolarHBondContact O-N 3.01Å; L109-A113 HydrophobicContact CB-CB 4.48Å
110P81.7Confident75.3Confident59 Ų5981.3 Ų81.338%0.38344%0.443SS..  trans-63.1146174.828.6-34.8000110.4F52 T112 A113F52-P110 VanDerWaalsContact CD1-CD 3.49Å; F52-P110 HydrophobicContact CD1-CG 3.48Å; F52-P110 VanDerWaalsContact CD1-CG 3.48Å; F52-P110 HydrophobicContact CE1-CG 3.74Å; F52-P110 HydrophobicContact CG-CG 4.5Å; P110-T112 PolarHBondContact O-N 2.74Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.45Å; P110-A113 PolarHBondContact O-N 2.84Å
111E74.6Confident72.9Confident164 Ų16489.6 Ų89.677%0.76648%0.481SS*.THydrogen-bonded Turntrans-59.9-22.6-176.3-63.9-172.4163.100113.6K104 A113K104-E111 PolarHBondContact NZ-O 2.89Å; E111-A113 PolarHBondContact O-N 2.7Å
112T77.4Confident70.8Confident121 Ų12189.8 Ų89.874%0.74249%0.493SS*.THydrogen-bonded Turntrans-69.6-9175.655.60000114.4P110 R114P110-T112 PolarHBondContact O-N 2.74Å; T112-R114 PolarHBondContact O-N 3.01Å; T112-R114 VanDerWaalsContact O-N 3.12Å
113A76.9Confident68.5Low6 Ų693.6 Ų93.65%0.0551%0.508CS..  trans-64.2109.8175.700000111.1F52 L109 P110 E111 I115F52-A113 HydrophobicContact CE1-CB 3.85Å; F52-A113 HydrophobicContact CZ-CB 3.82Å; L109-A113 HydrophobicContact CB-CB 4.48Å; P110-A113 VanDerWaalsContact O-CB 3.28Å; P110-A113 WeakPolarHBondContact O-CB 3.45Å; P110-A113 PolarHBondContact O-N 2.84Å; E111-A113 PolarHBondContact O-N 2.7Å; A113-I115 PolarHBondContact O-N 2.66Å; A113-I115 VanDerWaalsContact O-N 3.13Å
114R77.1Confident66.5Low159 Ų159100.2 Ų100.260%0.654%0.543SS*.  trans-74.695.7175-68.2-177.9178.5-129.111.2110.2Q37 T112 N116 E117Q37-R114 PolarHBondContact NE2-O 3.16Å; T112-R114 PolarHBondContact O-N 3.01Å; T112-R114 VanDerWaalsContact O-N 3.12Å; R114-N116 PolarHBondContact O-N 2.96Å; R114-E117 VanDerWaalsContact CD-OE2 3.29Å; R114-E117 WeakPolarHBondContact CD-OE2 3.32Å; R114-E117 IonicContact CZ-OE2 2.7Å; R114-E117 IonicContact NE-OE2 2.84Å; R114-E117 IonicContact NH1-OE2 2.74Å; R114-E117 PolarHBondContact NH1-OE2 2.97Å
115I76.7Confident64.4Low34 Ų34103.7 Ų103.717%0.17456%0.559CS.*  trans-84.195.6-177.3-61.2159.5000109.5A100 K104 A113 E117A100-I115 HydrophobicContact CB-CD1 4.3Å; A100-I115 HydrophobicContact CB-CG1 4.22Å; A100-I115 HydrophobicContact CB-CG2 3.55Å; A100-I115 WeakPolarHBondContact O-CD1 3.19Å; K104-I115 HydrophobicContact CB-CD1 4.07Å; K104-I115 HydrophobicContact CD-CD1 4.05Å; A113-I115 PolarHBondContact O-N 2.66Å; A113-I115 VanDerWaalsContact O-N 3.13Å; I115-E117 PolarHBondContact O-N 2.84Å; I115-E117 VanDerWaalsContact O-N 3.15Å
116N64.3Low62.4Low86 Ų86100 Ų10046%0.4654%0.544SS..  trans43.551.5174.5-165.739.5000112.7R114 G118R114-N116 PolarHBondContact O-N 2.96Å; N116-G118 PolarHBondContact O-N 3.06Å
117E57.1Low60.8Low114 Ų11499.1 Ų99.153%0.53355%0.549SS..  trans-57.396.5155-74.5169.3-170.100105.3R114 I115 T119R114-E117 VanDerWaalsContact CD-OE2 3.29Å; R114-E117 WeakPolarHBondContact CD-OE2 3.32Å; R114-E117 IonicContact CZ-OE2 2.7Å; R114-E117 IonicContact NE-OE2 2.84Å; R114-E117 IonicContact NH1-OE2 2.74Å; R114-E117 PolarHBondContact NH1-OE2 2.97Å; I115-E117 PolarHBondContact O-N 2.84Å; I115-E117 VanDerWaalsContact O-N 3.15Å; E117-T119 PolarHBondContact O-N 3.06Å
118G43.1Very low59.1Low47 Ų47105 Ų10549%0.48556%0.559SS.*  trans-56.5131176.100000106.7N116 G120N116-G118 PolarHBondContact O-N 3.06Å; G118-G120 CarbonylContact O-C 3.19Å; G118-G120 PolarHBondContact O-N 3.45Å
119T40Very low57.9Low145 Ų145110.3 Ų110.389%0.8958%0.582SS**SBendtrans-74.534.6170.2-260000110.8E117E117-T119 PolarHBondContact O-N 3.06Å
120G38Very low56.2Low51 Ų51112.6 Ų112.653%0.52661%0.606SS.*  trans-77.376.8130.600000108.2G118 D122G118-G120 CarbonylContact O-C 3.19Å; G118-G120 PolarHBondContact O-N 3.45Å; G120-D122 VanDerWaalsContact C-N 3.27Å; G120-D122 PolarHBondContact O-N 3.06Å
121E37.5Very low54.6Low175 Ų175117.5 Ų117.582%0.81863%0.629SS**  -56.1118117.9-80.9-180172.500102.9E123E121-E123 PolarHBondContact O-N 2.87Å
122D44.7Very low53.5Low150 Ų150116 Ų11680%0.80263%0.632SS**  trans-60.293.1177.1-58.6-70.5000106.8G120 D124G120-D122 VanDerWaalsContact C-N 3.27Å; G120-D122 PolarHBondContact O-N 3.06Å; D122-D124 PolarHBondContact O-N 3.24Å
123E39.4Very low51.9Low159 Ų159113.1 Ų113.174%0.74363%0.627SS**  trans-57.274.6131.5-78.8-166.7178.300106E121 F125E121-E123 PolarHBondContact O-N 2.87Å; E123-F125 HydrophobicContact CB-CD2 4.1Å; E123-F125 HydrophobicContact CG-CD2 4.39Å; E123-F125 PolarHBondContact O-N 2.66Å; E123-F125 WeakPolarHBondContact OE2-CD2 3.47Å; E123-F125 WeakPolarHBondContact OE2-CE2 3.5Å
124D47.7Very low50.5Low138 Ų138122.1 Ų122.174%0.73867%0.667SS**  trans-54.864.5134.8-165.138.5000107.5D122 G126D122-D124 PolarHBondContact O-N 3.24Å; D124-G126 PolarHBondContact O-N 3.4Å; D124-G126 VanDerWaalsContact OD1-CA 3.26Å; D124-G126 WeakPolarHBondContact OD1-CA 3.42Å; D124-G126 PolarHBondContact OD1-N 2.67Å; D124-G126 VanDerWaalsContact OD1-N 3.13Å
125F45.1Very low49.1Very low159 Ų159118.5 Ų118.570%0.69767%0.671SS**  -59.566.9125.7-85.7-74000106.8E123 I127E123-F125 HydrophobicContact CB-CD2 4.1Å; E123-F125 HydrophobicContact CG-CD2 4.39Å; E123-F125 PolarHBondContact O-N 2.66Å; E123-F125 WeakPolarHBondContact OE2-CD2 3.47Å; E123-F125 WeakPolarHBondContact OE2-CE2 3.5Å; F125-I127 PolarHBondContact O-N 2.7Å
126G46.5Very low47.4Very low41 Ų41125.6 Ų125.642%0.42370%0.704SS.*  trans-53.2103.7151.200000103.4D124 E128D124-G126 PolarHBondContact O-N 3.4Å; D124-G126 VanDerWaalsContact OD1-CA 3.26Å; D124-G126 WeakPolarHBondContact OD1-CA 3.42Å; D124-G126 PolarHBondContact OD1-N 2.67Å; D124-G126 VanDerWaalsContact OD1-N 3.13Å; G126-E128 PolarHBondContact O-N 2.79Å
127I56.5Low46.7Very low135 Ų135130.2 Ų130.269%0.69273%0.728SS**  trans-6785.4164.6-59.1174.6000103F125 F129F125-I127 PolarHBondContact O-N 2.7Å; I127-F129 HydrophobicContact CB-CD2 4.45Å; I127-F129 HydrophobicContact CG2-CD2 3.77Å; I127-F129 HydrophobicContact CG2-CE2 3.82Å; I127-F129 PolarHBondContact O-N 3.21Å
128E50.7Low46.1Very low185 Ų185129.2 Ų129.286%0.86473%0.733SS**  trans-56.898.8162.7-172.8172.5-152.500104.1G126 G130G126-E128 PolarHBondContact O-N 2.79Å; E128-G130 PolarHBondContact O-N 2.93Å
129F57.9Low46.2Very low183 Ų183133.6 Ų133.680%0.80375%0.746SS**  trans-66.483.9170.5-98.8-96.1000105.6I127 D131I127-F129 HydrophobicContact CB-CD2 4.45Å; I127-F129 HydrophobicContact CG2-CD2 3.77Å; I127-F129 HydrophobicContact CG2-CE2 3.82Å; I127-F129 PolarHBondContact O-N 3.21Å; F129-D131 PolarHBondContact O-N 3.14Å
130G46.9Very low46.9Very low53 Ų53136.8 Ų136.855%0.54675%0.747SS.*  trans-56.8104.3169.100000107E128 T132E128-G130 PolarHBondContact O-N 2.93Å; G130-T132 PolarHBondContact O-N 2.95Å; G130-T132 PolarHBondContact O-OG1 3.06Å
131D47.7Very low47.4Very low162 Ų162142.5 Ų142.587%0.86676%0.76SS**  trans-68.577.3178.6-175.925.3000109F129F129-D131 PolarHBondContact O-N 3.14Å
132T51.7Low48.1Very low132 Ų132142.3 Ų142.381%0.8176%0.759SS**  trans-111.769-175.7-490000109.1G130G130-T132 PolarHBondContact O-N 2.95Å; G130-T132 PolarHBondContact O-OG1 3.06Å
133G43.9Very low48.5Very low62 Ų62142.5 Ų142.564%0.63976%0.761SS**  trans68.489.3145.400000117.2
134Q47.2Very low49.5Very low194 Ų194138.2 Ų138.291%0.90775%0.752SS**  trans-131.9109.8141.5-69.6-166.915.700111.9
135A49.2Very low50Low83 Ų83139 Ų13969%0.68676%0.755SS**  trans75112.6145.800000120.2
136E39.3Very low50.6Low183 Ų183138.7 Ų138.786%0.85576%0.76SS**  trans57.593.6137.8-43.8-57.3111.900118.9
137L49.8Very low51.2Low183 Ų183144.3 Ų144.396%0.95878%0.781SS**  trans-136.1117.2156.7-106.4155.4000109.7
138S45.6Very low51.3Low93 Ų93144 Ų14465%0.6578%0.78SS**  trans-89.4158.2-170.770.10000113.6
139D45.2Very low51.7Low140 Ų140139.5 Ų139.575%0.74977%0.77SS**  trans62.9104.1154.3-42.9-41.3000118.9
140K53.8Low51.8Low211 Ų211135.1 Ų135.192%0.91776%0.761SS**  trans-153.1131.2135.2-105.4144.1-168.1168.20111.4
141E50Low52.5Low172 Ų172137 Ų13780%0.80477%0.767SS**  trans-85173.9-178-63.5165117.200112.1
142E52.1Low53.1Low171 Ų171138 Ų13880%0.79977%0.766SS**  trans67.9139.4163.9-62.3160.4-158.800115.4
143D51.8Low53.3Low154 Ų154136.1 Ų136.182%0.82476%0.758SS**  cis-163.6161.72.5-12221.2000107.1
144A60.4Low54.1Low69 Ų69141.7 Ų141.757%0.5777%0.768SS**  cis-172.5-166.9-12.900000108.9
145I58.9Low54.8Low154 Ų154142.5 Ų142.579%0.7976%0.764SS**  trans81.286.6159.5-54.8155000117.2
146D57.2Low55.3Low152 Ų152147.2 Ų147.281%0.81377%0.772SS**  35.4155.4110.3-61-35.8000124
147D60.6Low56.1Low160 Ų160153.5 Ų153.586%0.85679%0.787SS**  trans82.2130.2160.2-131.951.4000116.9
148D57.8Low56.4Low128 Ų128152 Ų15268%0.68478%0.779SS**  cis-149.8173.7-7.9-17835.2000110.2
149S58.9Low57Low91 Ų91155.1 Ų155.164%0.63679%0.786SS**  trans-41.6177165.580.70000117
150S60.5Low57.7Low90 Ų90155.9 Ų155.963%0.62979%0.788SS**  cis-164.1162.911.7175.40000109.4
151S61.2Low57.9Low94 Ų94152.7 Ų152.766%0.65778%0.78SS**  trans64.6150.6149.137.80000118.6
152E60.7Low58.4Low181 Ų181151.5 Ų151.585%0.84678%0.779SS**  cis-149.1164.57-131.8160.5167.400112.1
153S56Low58.8Low93 Ų93150.2 Ų150.265%0.6578%0.777SS**  trans-74.7158.2175.352.40000113.6
154E61Low59.3Low180 Ų180149.9 Ų149.984%0.84177%0.774SS**  -174.1112.8126.5-101178.3-17200108.2
155Y61.1Low59.2Low211 Ų211156.2 Ų156.283%0.82779%0.79SS**  91.2141.485.4-106.2-78.6000114.6
156E59.1Low59.2Low181 Ų181156.3 Ų156.385%0.84679%0.79SS**  trans-67.5149.2-167.2-60.2173.3112.400115.3
157R57Low59.4Low315 Ų315156.7 Ų156.7100%1.18979%0.787SS**  trans-151.60130.3-148.5178.1-163.5161.98.4112.8

Retrieved 157 of 157 residues in 348.1 ms (Link to these results)