==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 07-MAR-05 1Z1X . COMPND 2 MOLECULE: DISINTEGRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS; . AUTHOR M.I.HASSAN,A.S.ETHAYATHULLA,S.BILGRAMI,B.SINGH,S.YADAV, . 64 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 34.4 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 . 10 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.6 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 1.6 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 . 1 1.6 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 . 2 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 3 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 . 3 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 N 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-130.5 11.8 45.1 40.9 2 2 A S - 0 0 93 2,-0.0 0, 0.0 3,-0.0 0, 0.0 0.619 360.0 -4.4 -50.6-151.7 7.9 45.0 41.7 3 3 A V S S- 0 0 111 1,-0.1 5,-0.0 2,-0.1 3,-0.0 -0.007 81.9-108.9 -39.6 148.1 5.1 46.8 40.0 4 4 A H - 0 0 74 1,-0.1 3,-0.4 2,-0.0 -1,-0.1 -0.627 9.7-135.6 -81.7 139.4 6.2 49.1 37.3 5 5 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.795 109.9 47.3 -59.8 -30.1 5.9 52.8 37.7 6 6 A a S S+ 0 0 5 15,-0.1 9,-2.6 8,-0.1 2,-0.3 0.592 94.4 97.6 -90.1 -15.7 4.6 52.9 34.3 7 7 A C E -A 14 0A 34 -3,-0.4 3,-0.1 7,-0.3 13,-0.0 -0.570 58.4-151.5 -85.1 138.5 2.1 50.1 34.6 8 8 A D E >> -A 13 0A 33 5,-3.8 4,-3.8 -2,-0.3 5,-1.1 -0.913 14.5-166.7-100.5 103.2 -1.7 50.4 35.2 9 9 A P T 45S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.720 82.9 56.9 -72.8 -17.1 -2.3 47.1 37.0 10 10 A V T 45S+ 0 0 131 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.866 125.7 22.4 -80.5 -30.5 -6.1 47.3 36.7 11 11 A K T 45S- 0 0 119 -3,-0.4 -1,-0.1 2,-0.2 -4,-0.0 0.652 95.4-131.4-102.9 -18.3 -5.8 47.6 32.9 12 12 A C T <5S+ 0 0 114 -4,-3.8 -5,-0.0 1,-0.3 -2,-0.0 0.889 74.9 110.0 64.1 36.0 -2.4 46.1 32.3 13 13 A E E - 0 0 137 -9,-2.6 3,-3.0 -2,-0.2 5,-0.1 -0.208 61.2 -83.4 -55.0 141.1 -0.8 54.7 33.2 16 16 A E T 3 S+ 0 0 173 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.153 119.0 27.6 -50.5 120.4 -3.0 57.2 31.4 17 17 A G T 3 S+ 0 0 52 1,-0.6 -1,-0.3 -3,-0.2 2,-0.1 -0.063 101.2 93.7 112.3 -31.0 -0.8 59.9 29.9 18 18 A E < - 0 0 39 -3,-3.0 -1,-0.6 -12,-0.1 12,-0.2 -0.407 63.6-146.0 -88.2 171.8 2.4 57.8 29.5 19 19 A H + 0 0 98 10,-2.7 2,-0.3 1,-0.2 11,-0.2 0.743 64.5 0.7-107.0 -36.8 3.3 56.0 26.3 20 20 A b - 0 0 6 9,-2.9 -1,-0.2 1,-0.1 -5,-0.1 -0.916 48.2-131.3-148.5 175.9 5.1 52.8 27.2 21 21 A I S S- 0 0 55 1,-0.3 8,-0.4 -2,-0.3 2,-0.3 0.892 78.4 -27.4 -97.9 -63.9 6.4 50.5 30.0 22 22 A S S S+ 0 0 79 7,-0.1 -1,-0.3 6,-0.1 5,-0.1 -0.974 70.1 117.7-152.4 164.5 10.1 49.6 29.0 23 23 A G S > S- 0 0 31 3,-0.5 3,-2.6 -2,-0.3 33,-0.2 -0.694 71.2 -81.0 148.6 158.9 12.4 49.3 26.0 24 24 A P T 3 S+ 0 0 83 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 0.813 133.6 39.2 -54.5 -32.5 15.5 50.7 24.4 25 25 A c T 3 S+ 0 0 1 30,-2.4 7,-2.0 -3,-0.1 2,-0.4 -0.016 101.3 85.8-109.9 26.4 13.3 53.5 23.1 26 26 A b E < +B 31 0B 15 -3,-2.6 -3,-0.5 5,-0.2 2,-0.3 -0.997 49.7 169.6-125.0 130.7 11.2 53.9 26.2 27 27 A R E > -B 30 0B 171 3,-2.6 3,-1.3 -2,-0.4 -5,-0.1 -0.938 67.9 -7.3-147.5 119.1 12.4 56.2 29.0 28 28 A N T 3 S- 0 0 142 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.924 128.0 -57.2 59.6 47.4 10.3 57.3 32.0 29 29 A a T 3 S+ 0 0 12 -8,-0.4 -9,-2.9 1,-0.2 -10,-2.7 0.418 119.5 98.8 71.0 -0.6 7.2 55.8 30.5 30 30 A K E < S-B 27 0B 87 -3,-1.3 -3,-2.6 -11,-0.2 2,-0.2 -0.820 77.3 -99.4-122.8 158.2 7.5 57.8 27.3 31 31 A F E -B 26 0B 60 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.506 36.0-123.5 -72.6 135.6 8.8 57.3 23.7 32 32 A L - 0 0 38 -7,-2.0 20,-0.2 -2,-0.2 22,-0.1 -0.426 46.7 -80.9 -71.8 155.1 12.2 58.6 22.9 33 33 A N > - 0 0 132 1,-0.1 3,-2.3 2,-0.1 17,-0.3 -0.309 51.9-100.7 -60.4 134.9 12.2 61.0 19.9 34 34 A A T 3 S+ 0 0 49 17,-0.3 17,-0.2 1,-0.3 -1,-0.1 -0.424 111.7 37.8 -56.9 129.2 12.2 59.3 16.5 35 35 A G T 3 S+ 0 0 45 15,-1.5 -1,-0.3 1,-0.4 2,-0.2 -0.013 79.4 135.7 114.0 -20.5 15.7 59.3 15.1 36 36 A T < - 0 0 55 -3,-2.3 14,-3.4 13,-0.1 -1,-0.4 -0.470 61.3-118.6 -64.5 126.7 17.3 58.7 18.5 37 37 A I E +C 49 0C 57 12,-0.3 12,-0.3 -2,-0.2 3,-0.1 -0.425 33.5 177.8 -67.8 123.4 20.0 56.0 17.9 38 38 A d E S+ 0 0 33 10,-2.4 2,-0.2 1,-0.3 11,-0.2 0.558 70.3 9.1-104.8 -5.1 19.2 52.9 19.9 39 39 A K E -C 48 0C 130 9,-1.3 9,-1.8 2,-0.0 -1,-0.3 -0.854 68.0-134.1-171.4 133.9 22.2 50.9 18.7 40 40 A R - 0 0 165 -2,-0.2 2,-0.3 7,-0.2 7,-0.1 -0.695 28.0-118.0 -96.7 149.8 25.3 51.5 16.6 41 41 A A - 0 0 34 -2,-0.3 3,-0.2 1,-0.1 4,-0.1 -0.646 18.2-117.3 -91.6 145.3 26.4 49.2 13.8 42 42 A M S S- 0 0 175 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.889 91.8 -44.4 -37.7 -57.4 29.6 47.2 13.5 43 43 A L S S+ 0 0 139 3,-0.1 -1,-0.2 -3,-0.0 -3,-0.0 -0.190 106.4 81.7 174.4 97.8 30.3 49.4 10.5 44 44 A D S S- 0 0 107 -3,-0.2 3,-0.1 -2,-0.0 -2,-0.1 0.209 90.6-105.8-161.1 -16.6 28.5 50.8 7.4 45 45 A G S S+ 0 0 46 1,-0.2 2,-1.1 -4,-0.1 -3,-0.0 0.615 81.2 132.5 89.9 17.1 26.8 53.6 9.1 46 46 A L + 0 0 49 14,-0.0 14,-0.2 16,-0.0 -1,-0.2 -0.690 36.8 178.1 -99.1 81.3 23.5 51.8 9.0 47 47 A H - 0 0 29 -2,-1.1 2,-0.6 -6,-0.1 -7,-0.2 -0.473 34.3-112.5 -84.4 160.0 22.5 52.3 12.6 48 48 A D E -C 39 0C 23 -9,-1.8 -10,-2.4 -2,-0.1 -9,-1.3 -0.829 40.3-167.6 -91.4 117.7 19.3 51.2 14.3 49 49 A Y E -C 37 0C 90 -2,-0.6 -12,-0.3 -12,-0.3 -13,-0.1 -0.744 24.2-104.5-106.3 155.2 17.2 54.4 15.2 50 50 A c - 0 0 7 -14,-3.4 -15,-1.5 -2,-0.3 7,-0.1 -0.291 22.3-145.9 -73.5 157.4 14.1 54.8 17.5 51 51 A T - 0 0 50 3,-0.4 -17,-0.3 5,-0.4 -1,-0.1 0.716 22.8-130.0 -99.1 -24.2 10.8 55.3 15.7 52 52 A G S S+ 0 0 23 2,-0.4 -21,-0.1 -20,-0.2 -18,-0.1 0.084 99.7 64.0 92.3 -19.7 9.0 57.7 18.0 53 53 A V S S+ 0 0 103 1,-0.1 2,-0.3 -20,-0.1 -20,-0.1 0.609 98.7 46.8-112.7 -8.7 6.0 55.4 17.9 54 54 A T - 0 0 43 2,-0.2 -2,-0.4 -22,-0.1 -3,-0.4 -0.925 65.8-133.3-134.4 160.6 7.3 52.2 19.5 55 55 A S S S+ 0 0 46 -2,-0.3 -30,-2.4 -36,-0.1 -29,-0.2 0.781 80.1 81.4 -79.7 -30.4 9.3 51.0 22.5 56 56 A D S S- 0 0 83 -32,-0.2 -5,-0.4 -33,-0.2 -2,-0.2 -0.061 82.4-108.9 -74.4 175.4 11.5 48.6 20.7 57 57 A d - 0 0 39 -7,-0.1 2,-0.1 -19,-0.1 -7,-0.1 -0.931 37.0-141.4-113.5 104.7 14.8 49.1 18.6 58 58 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -9,-0.2 -0.401 13.5-118.7 -65.8 132.8 14.1 48.5 14.9 59 59 A R - 0 0 144 -2,-0.1 4,-0.1 -11,-0.1 -12,-0.1 -0.644 44.9-105.2 -71.9 124.7 16.5 46.7 12.6 60 60 A N > - 0 0 30 -2,-0.5 3,-1.5 -14,-0.2 -1,-0.1 -0.282 25.0-134.8 -52.4 127.3 17.3 49.4 10.0 61 61 A R T 3 S+ 0 0 203 1,-0.3 -1,-0.2 3,-0.0 -2,-0.1 0.651 97.8 74.9 -63.4 -15.9 15.4 48.4 6.9 62 62 A Y T 3 S+ 0 0 200 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.350 80.1 92.7 -79.9 10.8 18.4 49.0 4.6 63 63 A N < 0 0 43 -3,-1.5 -4,-0.0 1,-0.1 0, 0.0 -0.766 360.0 360.0 -98.9 148.3 20.0 45.7 6.0 64 64 A H 0 0 247 -2,-0.3 -1,-0.1 0, 0.0 -3,-0.0 0.885 360.0 360.0 -57.4 360.0 19.4 42.4 4.1