==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 10-NOV-04 1XYI . COMPND 2 MOLECULE: 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.-Y.CHEN,T.-P.KO,T.-W.LIN,C.-C.CHOU,C.-J.CHEN,A.H.-J.WANG . 66 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 36.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 8 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 115 0, 0.0 2,-0.3 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 80.2 -2.3 3.4 30.1 2 2 A V - 0 0 36 49,-0.0 15,-2.6 13,-0.0 2,-0.4 -0.663 360.0-127.5 -97.7 152.6 -0.1 4.1 33.2 3 3 A K E -A 16 0A 124 -2,-0.3 2,-0.6 13,-0.2 13,-0.3 -0.852 10.2-143.5-107.5 135.8 2.9 6.4 33.1 4 4 A V E -A 15 0A 0 11,-3.6 11,-1.9 -2,-0.4 2,-0.5 -0.871 14.6-152.1 -98.3 127.3 6.3 5.3 34.3 5 5 A K E +A 14 0A 98 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.859 25.3 160.4 -99.8 129.9 8.2 8.1 36.1 6 6 A F E -A 13 0A 5 7,-2.0 7,-3.0 -2,-0.5 2,-0.4 -0.975 37.7-120.1-148.0 161.4 12.0 8.0 36.0 7 7 A K E -A 12 0A 145 37,-0.5 2,-0.4 -2,-0.3 37,-0.3 -0.846 26.5-177.4-103.4 128.5 15.0 10.2 36.4 8 8 A Y E > S-A 11 0A 101 3,-2.3 3,-2.0 -2,-0.4 -2,-0.0 -0.964 74.1 -21.2-131.8 114.1 17.4 10.5 33.5 9 9 A K T 3 S- 0 0 181 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.900 128.3 -52.5 53.1 45.2 20.5 12.6 33.9 10 10 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 0.061 114.3 117.4 82.6 -23.9 18.9 14.3 36.8 11 11 A E E < -A 8 0A 102 -3,-2.0 -3,-2.3 1,-0.1 2,-0.6 -0.423 67.9-119.1 -79.6 150.8 15.7 15.3 34.8 12 12 A E E +A 7 0A 105 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.781 43.0 173.7 -89.9 123.2 12.2 14.0 35.7 13 13 A K E -A 6 0A 79 -7,-3.0 -7,-2.0 -2,-0.6 2,-0.3 -0.853 16.6-161.9-128.4 163.6 10.8 12.1 32.8 14 14 A E E -A 5 0A 81 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.996 6.7-179.7-147.0 143.9 7.7 10.0 32.0 15 15 A V E -A 4 0A 1 -11,-1.9 -11,-3.6 -2,-0.3 2,-0.2 -0.988 31.7-116.6-142.5 138.8 6.7 7.4 29.5 16 16 A D E > -A 3 0A 58 -2,-0.3 3,-2.6 -13,-0.3 4,-0.4 -0.524 28.2-121.7 -70.4 143.5 3.5 5.5 29.0 17 17 A T G > S+ 0 0 24 -15,-2.6 3,-1.5 1,-0.3 -1,-0.1 0.802 110.9 67.1 -56.5 -31.8 3.9 1.8 29.5 18 18 A S G 3 S+ 0 0 94 -16,-0.3 -1,-0.3 1,-0.2 -15,-0.1 0.575 95.6 56.7 -66.7 -7.6 2.6 1.2 26.0 19 19 A K G < S+ 0 0 68 -3,-2.6 16,-2.0 15,-0.0 2,-0.3 0.509 82.6 111.2 -98.4 -6.5 5.7 3.0 24.6 20 20 A I E < -B 34 0B 19 -3,-1.5 14,-0.3 -4,-0.4 3,-0.1 -0.559 41.4-179.5 -78.3 129.2 8.1 0.5 26.3 21 21 A K E + 0 0 130 12,-2.3 2,-0.3 -2,-0.3 13,-0.2 0.850 64.8 5.8 -89.6 -47.4 9.9 -1.8 24.0 22 22 A K E -B 33 0B 132 11,-0.8 11,-1.9 2,-0.0 2,-0.4 -0.989 59.8-165.7-144.5 139.1 12.0 -4.1 26.2 23 23 A V E +B 32 0B 11 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 17.5 154.4-130.8 138.6 12.3 -4.4 30.0 24 24 A W E -B 31 0B 70 7,-2.6 7,-2.8 -2,-0.4 2,-0.5 -0.932 39.5-111.0-149.7 173.5 15.0 -6.2 32.0 25 25 A R E -B 30 0B 132 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.954 22.6-176.9-115.9 118.4 16.5 -6.2 35.5 26 26 A A E > S-B 29 0B 50 3,-2.5 3,-2.3 -2,-0.5 2,-0.4 -0.914 73.9 -53.0-111.2 99.1 20.2 -5.0 35.8 27 27 A G T 3 S- 0 0 60 -2,-0.7 0, 0.0 1,-0.3 0, 0.0 -0.544 120.6 -26.0 66.8-122.5 20.9 -5.5 39.5 28 28 A K T 3 S+ 0 0 176 -2,-0.4 19,-1.3 -3,-0.1 2,-0.9 0.282 115.4 107.3-106.2 8.8 18.0 -3.7 41.2 29 29 A A E < -BC 26 46B 35 -3,-2.3 -3,-2.5 17,-0.2 2,-0.9 -0.776 62.6-149.7 -88.0 106.5 17.5 -1.3 38.3 30 30 A V E -BC 25 45B 0 15,-2.7 15,-2.1 -2,-0.9 2,-0.3 -0.716 31.5-167.4 -75.4 113.2 14.3 -2.2 36.4 31 31 A S E +BC 24 44B 10 -7,-2.8 -7,-2.6 -2,-0.9 2,-0.3 -0.745 15.5 170.1-111.7 151.1 15.5 -1.0 33.1 32 32 A F E -BC 23 43B 0 11,-2.6 11,-2.9 -2,-0.3 2,-0.3 -1.000 25.4-140.3-161.3 151.2 13.7 -0.4 29.8 33 33 A T E +BC 22 42B 29 -11,-1.9 -12,-2.3 -2,-0.3 -11,-0.8 -0.767 29.5 176.2-107.2 159.4 13.9 1.0 26.3 34 34 A Y E -BC 20 41B 28 7,-2.2 7,-2.2 -2,-0.3 2,-0.4 -0.971 31.0-138.6-156.0 165.8 11.1 2.9 24.7 35 35 A D E - C 0 40B 67 -16,-2.0 2,-0.7 -2,-0.3 5,-0.2 -0.942 21.7-174.2-133.5 108.8 10.0 4.9 21.7 36 36 A D E > S- C 0 39B 56 3,-2.8 3,-2.1 -2,-0.4 -2,-0.0 -0.883 72.1 -40.9-110.2 99.6 8.0 8.0 22.6 37 37 A N T 3 S- 0 0 154 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.894 126.9 -36.5 50.4 48.2 6.6 9.7 19.5 38 38 A G T 3 S+ 0 0 63 1,-0.2 2,-0.9 0, 0.0 -1,-0.3 0.256 114.5 116.3 93.2 -15.9 9.9 9.1 17.6 39 39 A K E < -C 36 0B 56 -3,-2.1 -3,-2.8 2,-0.0 2,-0.4 -0.800 49.3-163.7 -92.7 104.7 12.1 9.7 20.7 40 40 A T E +C 35 0B 91 -2,-0.9 2,-0.3 -5,-0.2 -5,-0.2 -0.731 28.4 134.3 -90.6 134.6 13.9 6.4 21.3 41 41 A G E -C 34 0B 20 -7,-2.2 -7,-2.2 -2,-0.4 2,-0.3 -0.891 45.1-108.9-162.0-173.2 15.5 6.1 24.7 42 42 A R E +C 33 0B 152 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.981 25.3 175.2-138.2 143.2 16.2 4.2 27.9 43 43 A G E -C 32 0B 6 -11,-2.9 -11,-2.6 -2,-0.3 2,-0.3 -0.913 6.6-168.7-140.4 167.6 15.0 4.6 31.4 44 44 A A E -C 31 0B 40 -2,-0.3 -37,-0.5 -37,-0.3 2,-0.3 -0.967 3.7-179.1-156.8 148.3 15.4 2.8 34.8 45 45 A V E -C 30 0B 19 -15,-2.1 -15,-2.7 -2,-0.3 5,-0.1 -0.947 39.6 -90.8-141.9 161.9 13.8 2.9 38.2 46 46 A S E >> -C 29 0B 41 -2,-0.3 3,-1.1 -17,-0.2 4,-0.8 -0.404 34.1-120.1 -72.7 153.5 14.4 1.0 41.4 47 47 A E G >4 S+ 0 0 93 -19,-1.3 3,-0.9 1,-0.3 -1,-0.1 0.916 115.6 57.4 -59.8 -39.1 12.3 -2.2 41.8 48 48 A K G 34 S+ 0 0 185 1,-0.2 -1,-0.3 -20,-0.2 -2,-0.0 0.719 111.8 40.8 -67.5 -17.0 10.9 -0.7 44.9 49 49 A D G <4 S+ 0 0 121 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.424 88.4 112.9-109.1 -1.5 9.6 2.4 43.0 50 50 A A << - 0 0 13 -3,-0.9 2,-0.1 -4,-0.8 -46,-0.1 -0.521 69.5-118.7 -73.9 138.9 8.3 0.6 39.8 51 51 A P >> - 0 0 35 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.409 28.5-108.8 -73.3 157.6 4.5 0.6 39.2 52 52 A K H 3> S+ 0 0 139 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.848 117.5 58.9 -56.5 -38.8 2.9 -2.8 39.1 53 53 A E H 3> S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.904 107.2 47.6 -59.6 -37.6 2.3 -2.7 35.4 54 54 A L H <> S+ 0 0 0 -3,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.927 111.9 49.2 -70.9 -42.6 6.0 -2.3 34.8 55 55 A L H X S+ 0 0 53 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.872 109.7 52.2 -61.7 -35.4 6.8 -5.2 37.2 56 56 A D H X S+ 0 0 62 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.908 108.9 50.0 -68.8 -35.9 4.3 -7.3 35.4 57 57 A M H X S+ 0 0 37 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.908 109.9 51.9 -64.5 -40.3 5.9 -6.5 32.1 58 58 A L H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 107.4 51.1 -62.2 -46.5 9.3 -7.5 33.6 59 59 A A H X S+ 0 0 57 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.891 108.5 52.7 -59.8 -39.2 7.9 -10.8 34.9 60 60 A R H < S+ 0 0 151 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.903 110.7 47.2 -63.6 -38.1 6.6 -11.6 31.4 61 61 A A H >< S+ 0 0 41 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.882 107.9 54.8 -71.1 -35.2 10.0 -10.9 29.9 62 62 A E H 3< S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.742 99.6 64.0 -69.7 -20.0 11.8 -13.0 32.5 63 63 A R T 3< S+ 0 0 226 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.704 94.2 78.0 -76.4 -18.7 9.6 -15.9 31.5 64 64 A E S < S- 0 0 142 -3,-1.1 -3,-0.0 -4,-0.5 0, 0.0 -0.479 88.0 -90.7 -97.4 163.6 11.0 -16.0 28.0 65 65 A K 0 0 197 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.138 360.0 360.0 -61.8 159.5 14.2 -17.4 26.5 66 66 A K 0 0 267 -4,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.193 360.0 360.0-109.0 360.0 17.4 -15.3 26.1