==== 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 PROTEIN BINDING 28-NOV-03 1RMR . COMPND 2 MOLECULE: DISINTEGRIN SCHISTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS; . AUTHOR S.BILGRAMI,S.TOMAR,S.YADAV,P.KAUR,J.KUMAR,T.JABEEN,S.SHARMA, . 64 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 32.8 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 . 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 . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.9 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 . 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 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 0 228 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.2 94.7 9.0 30.3 2 2 A S - 0 0 111 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.944 360.0 -60.5-160.6 172.9 92.1 6.6 28.9 3 3 A V - 0 0 64 -2,-0.3 -1,-0.0 1,-0.1 5,-0.0 -0.184 55.1-111.2 -56.7 138.6 90.2 4.4 26.4 4 4 A H > - 0 0 80 1,-0.1 3,-1.0 2,-0.0 -1,-0.1 -0.649 25.3-127.1 -71.0 134.2 88.5 6.3 23.5 5 5 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.582 109.8 48.2 -62.5 -11.0 84.7 6.0 24.1 6 6 A a T 3 S+ 0 0 3 15,-0.1 9,-2.9 8,-0.1 2,-0.3 0.591 95.8 94.8 -97.2 -21.2 84.3 4.7 20.5 7 7 A C E < -A 14 0A 31 -3,-1.0 3,-0.0 7,-0.3 -4,-0.0 -0.584 61.7-150.7 -80.7 139.0 87.2 2.1 20.8 8 8 A D E >>> -A 13 0A 38 5,-3.3 4,-3.3 -2,-0.3 3,-1.3 -0.868 12.8-162.1-102.8 103.7 86.8 -1.5 21.7 9 9 A P T 345S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.587 84.6 58.9 -70.4 -13.6 90.2 -2.3 23.3 10 10 A V T 345S+ 0 0 127 3,-0.1 -2,-0.0 1,-0.1 -3,-0.0 0.755 124.2 22.0 -82.3 -27.8 89.9 -6.1 23.0 11 11 A I T <45S- 0 0 100 -3,-1.3 -1,-0.1 2,-0.2 -4,-0.0 0.674 93.5-132.0-102.1 -22.4 89.6 -5.7 19.2 12 12 A C T <5S+ 0 0 109 -4,-3.3 -5,-0.1 1,-0.4 3,-0.0 0.924 75.6 108.1 61.6 35.6 91.2 -2.3 18.5 13 13 A E E - 0 0 154 -9,-2.9 3,-2.2 1,-0.1 2,-0.1 -0.081 63.8 -80.8 -52.9 149.0 82.5 -0.7 19.4 16 16 A E T 3 S+ 0 0 197 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.378 120.1 23.0 -59.3 132.4 80.0 -2.9 17.6 17 17 A G T 3 S+ 0 0 54 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.163 102.3 101.2 94.9 -23.1 77.4 -0.8 15.8 18 18 A E < - 0 0 57 -3,-2.2 -1,-0.4 -12,-0.1 12,-0.2 -0.520 60.7-148.3 -88.3 169.0 79.6 2.3 15.7 19 19 A H - 0 0 96 10,-3.4 2,-0.3 1,-0.2 11,-0.2 0.737 62.0 -6.0-103.0 -38.4 81.4 3.4 12.5 20 20 A b - 0 0 8 9,-2.1 -1,-0.2 1,-0.1 -5,-0.1 -0.938 46.8-128.4-156.3 176.3 84.6 5.2 13.5 21 21 A I S S- 0 0 57 1,-0.4 8,-0.3 -2,-0.3 2,-0.3 0.859 77.5 -27.6-107.8 -62.8 86.8 6.6 16.2 22 22 A S + 0 0 80 7,-0.1 -1,-0.4 6,-0.1 5,-0.1 -0.966 69.5 115.8-149.5 174.3 87.7 10.1 15.3 23 23 A G S > S- 0 0 31 3,-0.3 3,-2.2 -2,-0.3 33,-0.2 -0.609 72.7 -78.8 139.9 158.1 88.2 12.4 12.2 24 24 A P T 3 S+ 0 0 83 0, 0.0 32,-0.2 0, 0.0 -1,-0.1 0.791 132.7 42.9 -49.5 -34.9 86.7 15.6 10.6 25 25 A c T 3 S+ 0 0 1 30,-3.0 7,-2.5 -3,-0.1 2,-0.4 0.139 100.0 84.4-109.0 21.4 83.9 13.3 9.3 26 26 A b E < +B 31 0B 15 -3,-2.2 2,-0.3 29,-0.4 -3,-0.3 -0.978 48.9 173.2-120.0 135.6 83.3 11.3 12.4 27 27 A E E > S-B 30 0B 119 3,-2.8 3,-2.0 -2,-0.4 -5,-0.1 -0.979 71.4 -11.4-146.1 124.6 81.0 12.4 15.2 28 28 A N T 3 S- 0 0 123 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.897 128.0 -56.1 47.2 46.1 80.0 10.3 18.2 29 29 A a T 3 S+ 0 0 14 -8,-0.3 -10,-3.4 1,-0.2 -9,-2.1 0.430 118.4 105.1 75.0 1.1 81.5 7.2 16.6 30 30 A Y E < S-B 27 0B 109 -3,-2.0 -3,-2.8 -11,-0.2 2,-0.3 -0.843 75.0-107.8-116.5 152.4 79.3 7.6 13.5 31 31 A F E -B 26 0B 55 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.557 36.6-118.8 -71.1 132.5 80.1 8.8 9.9 32 32 A L - 0 0 43 -7,-2.5 20,-0.2 -2,-0.3 22,-0.2 -0.358 44.3 -84.3 -63.7 148.5 78.7 12.2 9.0 33 33 A N > - 0 0 130 1,-0.1 3,-1.9 2,-0.1 17,-0.3 -0.314 52.0-103.1 -52.5 136.7 76.2 12.3 6.1 34 34 A S T 3 S+ 0 0 65 17,-0.3 17,-0.2 1,-0.3 -1,-0.1 -0.460 109.7 44.4 -67.5 143.2 78.0 12.4 2.8 35 35 A G T 3 S+ 0 0 49 15,-1.9 -1,-0.3 1,-0.4 2,-0.2 0.061 78.8 135.0 102.0 -22.7 77.8 15.9 1.4 36 36 A T < - 0 0 54 -3,-1.9 14,-3.4 14,-0.1 -1,-0.4 -0.474 60.7-121.4 -65.8 125.5 78.7 17.5 4.7 37 37 A I E +C 49 0C 53 12,-0.2 12,-0.3 -2,-0.2 3,-0.1 -0.550 34.5 174.3 -70.2 126.7 81.3 20.1 4.2 38 38 A d E S+ 0 0 36 10,-2.7 2,-0.3 1,-0.4 11,-0.2 0.469 70.2 12.0-114.5 -9.4 84.4 19.4 6.2 39 39 A K E -C 48 0C 135 9,-1.4 9,-2.6 2,-0.0 -1,-0.4 -0.853 67.6-142.0-164.7 126.9 86.6 22.2 4.9 40 40 A R - 0 0 170 -2,-0.3 2,-0.3 7,-0.2 7,-0.1 -0.711 24.1-122.7 -85.8 155.2 85.9 25.3 2.8 41 41 A A - 0 0 34 -2,-0.3 4,-0.2 1,-0.1 6,-0.1 -0.690 21.3-112.8 -97.1 150.1 88.2 26.6 0.1 42 42 A R S S- 0 0 261 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.841 92.6 -52.9 -50.0 -39.0 89.9 30.0 -0.2 43 43 A G S S+ 0 0 63 3,-0.1 -1,-0.2 -3,-0.0 4,-0.0 0.412 102.8 94.0 155.3 100.0 87.7 30.2 -3.1 44 44 A D S S- 0 0 116 -3,-0.1 3,-0.1 0, 0.0 -2,-0.1 0.301 89.1-107.2-125.8 -4.0 86.6 28.5 -6.3 45 45 A G S S+ 0 0 45 -4,-0.2 2,-1.3 1,-0.1 -3,-0.1 0.567 80.8 135.9 66.3 21.8 83.8 26.9 -4.4 46 46 A N + 0 0 50 14,-0.0 14,-0.2 16,-0.0 -1,-0.1 -0.631 35.0 174.1 -93.6 75.0 85.7 23.6 -4.7 47 47 A Q - 0 0 28 -2,-1.3 2,-0.4 -7,-0.1 -7,-0.2 -0.389 34.5-110.2 -85.0 159.9 85.1 22.6 -1.1 48 48 A D E -C 39 0C 20 -9,-2.6 -10,-2.7 -2,-0.1 -9,-1.4 -0.791 36.9-166.6 -91.5 134.1 86.0 19.3 0.7 49 49 A Y E -C 37 0C 96 -2,-0.4 -12,-0.2 9,-0.4 2,-0.1 -0.905 23.7-109.0-121.8 152.0 83.0 17.1 1.5 50 50 A c - 0 0 5 -14,-3.4 -15,-1.9 -2,-0.3 -14,-0.1 -0.445 21.4-143.5 -73.8 157.6 82.6 14.0 3.7 51 51 A T - 0 0 51 5,-0.4 -17,-0.3 3,-0.3 -1,-0.1 0.645 25.4-126.6 -96.0 -21.5 82.1 10.7 1.9 52 52 A G S S+ 0 0 23 2,-0.4 -21,-0.1 -19,-0.2 -18,-0.1 0.270 102.2 60.9 83.6 -10.3 79.6 9.1 4.2 53 53 A I S S+ 0 0 132 1,-0.1 -20,-0.1 -20,-0.1 -3,-0.0 0.308 99.8 46.8-129.2 -2.3 81.9 6.0 4.4 54 54 A T - 0 0 44 -22,-0.2 -2,-0.4 2,-0.2 -3,-0.3 -0.954 66.2-136.9-136.2 162.1 85.2 7.4 5.8 55 55 A P S S+ 0 0 46 0, 0.0 -30,-3.0 0, 0.0 -29,-0.4 0.539 78.0 86.1 -96.7 -8.0 86.1 9.6 8.8 56 56 A D S S- 0 0 81 -32,-0.2 -5,-0.4 -31,-0.2 -2,-0.2 -0.241 83.1-113.6 -86.6 176.5 88.7 11.7 7.0 57 57 A d - 0 0 33 -7,-0.1 -7,-0.1 -19,-0.1 3,-0.1 -0.857 35.8-147.3-111.9 90.8 88.1 14.8 4.9 58 58 A P - 0 0 22 0, 0.0 -9,-0.4 0, 0.0 2,-0.2 -0.311 18.7-110.6 -62.5 140.2 89.1 13.9 1.3 59 59 A R - 0 0 144 -11,-0.1 -12,-0.1 1,-0.1 -11,-0.1 -0.490 44.7-100.9 -60.2 125.9 90.6 16.5 -1.0 60 60 A N > - 0 0 29 -2,-0.2 3,-1.9 -14,-0.2 -1,-0.1 -0.326 27.0-137.0 -55.8 127.3 88.0 17.4 -3.6 61 61 A R T 3 S+ 0 0 201 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.707 99.1 67.7 -71.3 -20.2 89.0 15.5 -6.8 62 62 A Y T 3 S+ 0 0 197 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.510 78.6 106.2 -69.5 -8.5 88.3 18.4 -9.1 63 63 A N < 0 0 39 -3,-1.9 -4,-0.0 1,-0.2 0, 0.0 -0.656 360.0 360.0 -71.4 124.2 91.3 20.1 -7.4 64 64 A V 0 0 201 -2,-0.5 -1,-0.2 0, 0.0 -3,-0.0 0.964 360.0 360.0 -55.3 360.0 94.4 20.2 -9.6