==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 01-DEC-03 1RO3 . COMPND 2 MOLECULE: DISINTEGRIN ECHISTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS; . AUTHOR D.MONLEON,V.ESTEVE,J.J.CALVETE,C.MARCINKIEWICZ,B.CELDA . 49 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 14 28.6 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 . 0 0.0 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 . 1 2.0 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 . 5 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 2.0 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 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E 0 0 98 0, 0.0 37,-0.1 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 66.7 8.0 -4.5 -3.5 2 2 A a - 0 0 68 6,-0.7 7,-0.1 35,-0.3 8,-0.0 0.845 360.0 -18.3 -36.6 -44.0 11.6 -3.6 -3.8 3 3 A E S S- 0 0 150 2,-0.3 -1,-0.2 5,-0.1 33,-0.0 0.520 109.6 -80.2-134.7 -35.6 12.2 -7.1 -2.6 4 4 A S S S+ 0 0 64 1,-0.4 34,-0.1 4,-0.1 -2,-0.1 0.149 89.5 122.4 147.1 -14.0 8.9 -8.2 -1.0 5 5 A G - 0 0 26 31,-0.2 -1,-0.4 32,-0.1 32,-0.3 -0.542 61.0-118.9 -78.6 140.6 9.2 -6.5 2.4 6 6 A P S S+ 0 0 42 0, 0.0 31,-0.4 0, 0.0 26,-0.2 -0.299 87.6 54.6 -74.9 161.7 6.5 -4.1 3.4 7 7 A b S S+ 0 0 36 29,-0.6 30,-0.1 11,-0.1 24,-0.1 0.948 87.8 84.0 78.7 54.8 7.1 -0.4 4.2 8 8 A c > - 0 0 15 22,-0.1 3,-4.5 3,-0.1 -6,-0.7 0.026 55.6-172.7-177.4 43.7 8.8 0.4 0.9 9 9 A R T 3 S- 0 0 62 21,-0.5 28,-0.1 1,-0.3 -7,-0.1 0.645 94.1 -4.7 -9.6 -72.8 6.1 1.2 -1.6 10 10 A N T 3 S- 0 0 103 -9,-0.1 -1,-0.3 20,-0.1 28,-0.1 -0.242 130.2 -64.2-125.6 41.5 8.7 1.4 -4.3 11 11 A a S < S+ 0 0 65 -3,-4.5 -2,-0.1 26,-0.2 -3,-0.1 0.988 129.2 64.8 73.6 72.2 11.8 1.0 -2.2 12 12 A K S S- 0 0 168 -5,-0.1 -4,-0.1 0, 0.0 -3,-0.1 0.121 90.1-131.3 172.3 -26.7 11.7 4.1 -0.1 13 13 A F - 0 0 67 24,-0.1 18,-0.1 17,-0.1 -5,-0.0 0.585 8.5-143.5 62.1 138.5 8.6 3.7 2.0 14 14 A L - 0 0 66 16,-0.3 17,-0.1 4,-0.0 0, 0.0 0.843 53.6 -65.9 -94.1 -86.1 6.1 6.5 2.4 15 15 A K - 0 0 151 0, 0.0 16,-0.1 0, 0.0 -2,-0.0 -0.299 68.8 -80.2-175.8 78.3 4.6 6.7 5.9 16 16 A E S S+ 0 0 136 1,-0.2 3,-0.1 2,-0.1 15,-0.1 0.673 116.0 65.6 15.6 106.8 2.4 3.8 7.0 17 17 A G + 0 0 28 1,-0.1 2,-2.5 0, 0.0 -1,-0.2 0.213 53.4 136.8 142.2 -8.7 -0.9 4.5 5.3 18 18 A T - 0 0 2 12,-0.2 13,-1.9 10,-0.1 21,-0.2 -0.432 45.6-154.5 -68.1 78.3 0.0 4.1 1.7 19 19 A I - 0 0 12 -2,-2.5 10,-3.4 11,-0.3 9,-0.4 -0.312 12.8-128.6 -57.8 134.3 -3.1 2.2 0.8 20 20 A d S S- 0 0 1 19,-0.6 2,-0.4 1,-0.2 8,-0.2 0.932 79.2 -20.6 -46.2 -91.1 -2.6 0.0 -2.3 21 21 A K - 0 0 119 18,-0.4 2,-4.3 6,-0.3 6,-0.5 -0.978 60.5-128.7-131.4 118.3 -5.5 1.0 -4.5 22 22 A R >> + 0 0 74 -2,-0.4 4,-7.1 -3,-0.3 3,-3.1 -0.260 39.9 168.9 -62.1 64.9 -8.6 2.6 -3.0 23 23 A A T 34 + 0 0 33 -2,-4.3 -1,-0.2 1,-0.3 4,-0.1 0.916 69.3 69.2 -44.2 -55.0 -10.7 0.0 -4.8 24 24 A R T 34 S- 0 0 131 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.744 138.8 -13.8 -36.3 -28.3 -13.7 1.2 -2.8 25 25 A G T <4 S- 0 0 45 -3,-3.1 -2,-0.3 1,-0.2 -1,-0.2 0.456 125.5 -55.1-143.6 -43.3 -13.3 4.3 -5.0 26 26 A D S < S- 0 0 127 -4,-7.1 2,-0.3 0, 0.0 -1,-0.2 -0.474 73.0 -61.1-166.7-118.0 -9.9 4.1 -6.7 27 27 A D - 0 0 87 -6,-0.5 -6,-0.3 -5,-0.2 -7,-0.1 -0.979 28.4-172.9-157.5 145.7 -6.4 3.7 -5.3 28 28 A M - 0 0 97 -9,-0.4 -8,-0.2 1,-0.3 2,-0.1 0.762 50.8 -71.3-101.9 -88.8 -4.1 5.7 -3.0 29 29 A D - 0 0 86 -10,-3.4 2,-0.3 12,-0.3 -1,-0.3 -0.366 52.6 -76.8-143.9-137.0 -0.5 4.4 -2.7 30 30 A D + 0 0 34 -2,-0.1 -21,-0.5 9,-0.1 -16,-0.3 -0.913 41.8 176.8-149.2 116.2 1.3 1.5 -1.2 31 31 A Y - 0 0 39 -13,-1.9 2,-0.9 -2,-0.3 7,-0.3 -0.797 42.9 -91.5-118.7 161.2 2.1 1.0 2.5 32 32 A b - 0 0 16 -2,-0.3 5,-0.2 -26,-0.2 9,-0.1 -0.615 36.6-179.5 -74.0 107.2 3.7 -1.7 4.5 33 33 A N - 0 0 56 3,-1.2 -1,-0.2 -2,-0.9 4,-0.1 0.255 63.0 -93.1 -90.1 10.7 0.8 -3.9 5.6 34 34 A G S S+ 0 0 65 2,-0.3 3,-0.1 6,-0.0 -2,-0.1 0.591 121.4 61.8 87.1 13.6 3.3 -6.1 7.4 35 35 A K S S- 0 0 152 1,-0.6 2,-0.3 5,-0.1 -3,-0.1 0.563 112.3 -24.5-131.0 -52.2 3.6 -8.4 4.3 36 36 A T - 0 0 19 -31,-0.3 -3,-1.2 -5,-0.2 -29,-0.6 -0.878 47.9-117.7-154.0-177.0 5.0 -6.3 1.5 37 37 A c S S+ 0 0 0 -31,-0.4 -35,-0.3 -32,-0.3 -26,-0.2 -0.488 75.8 103.8-131.6 60.4 5.3 -2.8 0.1 38 38 A D S S- 0 0 77 -7,-0.3 -1,-0.1 -37,-0.1 3,-0.1 -0.352 115.3 -48.2-137.3 52.5 3.4 -3.0 -3.2 39 39 A d S S+ 0 0 14 -21,-0.2 2,-2.8 1,-0.1 -19,-0.6 0.747 80.2 166.6 86.3 28.1 0.2 -1.3 -2.5 40 40 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.367 59.8 65.7 -75.0 62.8 -0.3 -3.3 0.7 41 41 A R + 0 0 87 -2,-2.8 -12,-0.3 -12,-0.2 -13,-0.2 -0.035 56.4 113.0-177.8 54.8 -3.0 -1.0 2.0 42 42 A N + 0 0 7 -23,-0.4 2,-2.3 -3,-0.2 -19,-0.2 -0.416 23.8 159.0-132.3 55.8 -6.1 -1.2 -0.2 43 43 A P + 0 0 84 0, 0.0 -21,-0.1 0, 0.0 5,-0.0 -0.201 46.8 104.6 -74.9 47.9 -8.7 -2.8 2.1 44 44 A H S S- 0 0 13 -2,-2.3 -22,-0.1 -23,-0.4 -2,-0.1 0.171 87.2 -12.3-101.2-140.8 -11.4 -1.4 -0.1 45 45 A K S S- 0 0 173 1,-0.2 -23,-0.1 -2,-0.0 -3,-0.0 0.779 131.8 -43.4 -21.7 -77.8 -13.6 -3.1 -2.7 46 46 A G S S+ 0 0 71 -4,-0.1 -1,-0.2 0, 0.0 -4,-0.0 0.066 107.7 117.8-151.5 24.8 -11.5 -6.3 -2.7 47 47 A P + 0 0 29 0, 0.0 -25,-0.1 0, 0.0 -8,-0.0 0.324 20.7 141.0 -75.0-151.2 -7.9 -5.0 -2.7 48 48 A A 0 0 64 -9,-0.4 -29,-0.0 -27,-0.1 -9,-0.0 0.291 360.0 360.0 112.4 121.8 -5.3 -5.5 -0.1 49 49 A T 0 0 50 -10,-0.2 -10,-0.1 -18,-0.1 -13,-0.1 0.517 360.0 360.0-134.4 360.0 -1.6 -6.1 -0.5