==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JUL-08 3DSL . COMPND 2 MOLECULE: ZINC METALLOPROTEINASE-DISINTEGRIN BOTHROPASIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS JARARACA; . AUTHOR J.R.C.MUNIZ,A.AMBROSIO,H.S.SELISTRE-DE-ARAUJO,G.OLIVA,R.C.GA . 832 4 34 34 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 . 5 0.6 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 . 65 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 1 0 2 0 0 2 0 0 0 1 3 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 0 0 0 2 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 . 10 9 3 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 ANTIPARALLEL BRIDGES PER LADDER . 6 3 0 2 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 3 A Q 0 0 121 0, 0.0 3,-0.1 0, 0.0 268,-0.1 0.000 360.0 360.0 360.0 63.7 20.1 21.5 27.3 2 4 A K - 0 0 134 253,-0.2 2,-0.6 1,-0.1 253,-0.0 0.102 360.0-103.8 -41.8 151.7 17.0 22.9 25.7 3 5 A Y - 0 0 156 2,-0.0 -1,-0.1 1,-0.0 3,-0.1 -0.723 28.0-143.9 -86.4 118.6 14.0 20.6 25.0 4 6 A N - 0 0 48 -2,-0.6 -1,-0.0 1,-0.2 0, 0.0 -0.745 6.2-161.1 -86.6 122.9 13.7 19.5 21.4 5 7 A P S S+ 0 0 58 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.713 72.0 74.7 -68.1 -28.7 10.0 19.2 20.3 6 8 A F - 0 0 22 194,-0.1 2,-0.2 -3,-0.1 44,-0.2 -0.506 66.4-153.1 -85.0 155.6 11.0 17.1 17.3 7 9 A R E -a 50 0A 18 42,-1.2 44,-1.0 -2,-0.2 2,-0.4 -0.641 14.5-139.7-109.8 178.0 12.1 13.5 17.2 8 10 A Y E -a 51 0A 9 191,-2.2 2,-0.9 -2,-0.2 44,-0.2 -0.936 4.8-152.3-146.6 121.9 14.4 12.1 14.5 9 11 A V E -a 52 0A 0 42,-2.4 44,-2.9 -2,-0.4 2,-1.5 -0.832 9.7-154.7 -97.1 109.1 14.3 8.8 12.7 10 12 A E E -a 53 0A 11 -2,-0.9 84,-2.1 42,-0.2 85,-1.1 -0.695 29.2-156.2 -79.9 90.6 17.8 7.8 11.6 11 13 A L E -ab 54 95A 0 42,-1.5 44,-2.6 -2,-1.5 45,-0.5 -0.246 19.0-160.4 -75.3 153.2 16.5 5.7 8.8 12 14 A F E -ab 56 96A 10 83,-1.6 85,-1.8 42,-0.2 2,-0.4 -0.945 11.0-159.0-133.6 115.7 18.3 2.8 7.1 13 15 A I E -ab 57 97A 0 43,-2.3 45,-1.8 -2,-0.4 2,-0.4 -0.791 4.6-167.1 -97.0 134.6 17.1 1.8 3.7 14 16 A V E -ab 58 98A 0 83,-2.4 85,-3.4 -2,-0.4 2,-0.4 -0.951 6.1-155.8-116.7 144.1 17.9 -1.6 2.2 15 17 A V E -ab 59 99A 0 43,-1.7 45,-2.8 -2,-0.4 85,-0.2 -0.973 15.7-129.8-124.8 128.5 17.3 -2.4 -1.4 16 18 A D > - 0 0 0 83,-2.0 4,-1.5 -2,-0.4 45,-0.0 -0.350 18.5-116.2 -84.5 157.0 16.7 -5.9 -2.7 17 19 A Q H >> S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 3,-0.9 0.932 116.6 57.9 -48.6 -53.8 18.3 -7.8 -5.5 18 20 A G H 3> S+ 0 0 22 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.934 105.9 49.5 -39.3 -63.5 15.0 -7.9 -7.3 19 21 A M H 3> S+ 0 0 3 1,-0.2 4,-1.0 80,-0.2 -1,-0.3 0.755 107.0 56.8 -48.3 -36.2 14.9 -4.1 -7.3 20 22 A V H X<>S+ 0 0 8 -4,-1.5 5,-1.7 -3,-0.9 3,-0.8 0.940 103.6 49.0 -65.6 -51.0 18.4 -3.9 -8.6 21 23 A T H ><5S+ 0 0 92 -4,-1.8 3,-1.6 -3,-0.5 -1,-0.2 0.824 104.4 62.1 -62.7 -30.4 18.0 -5.9 -11.8 22 24 A K H 3<5S+ 0 0 115 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.922 107.5 45.1 -54.5 -41.6 14.9 -3.7 -12.4 23 25 A N T X<5S- 0 0 42 -4,-1.0 3,-1.9 -3,-0.8 -1,-0.3 0.132 114.9-116.1 -96.7 20.9 17.4 -0.9 -12.5 24 26 A N T < 5 - 0 0 153 -3,-1.6 -3,-0.2 1,-0.3 3,-0.1 0.780 67.3 -64.6 54.4 30.1 20.0 -2.6 -14.8 25 27 A G T 3 + 0 0 79 -3,-1.9 4,-2.0 -6,-0.2 -1,-0.2 -0.272 12.6 172.8 -53.9 85.0 22.8 1.2 -11.9 27 29 A L H > S+ 0 0 56 -2,-1.5 4,-2.5 1,-0.2 5,-0.2 0.932 75.2 53.8 -63.7 -48.6 24.0 1.5 -8.3 28 30 A D H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.802 109.1 49.8 -53.4 -32.6 24.6 5.2 -8.5 29 31 A K H > S+ 0 0 89 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.916 109.8 49.3 -78.3 -44.2 21.1 5.8 -9.8 30 32 A I H >X S+ 0 0 6 -4,-2.0 4,-3.0 2,-0.2 3,-0.6 0.977 111.2 49.4 -50.6 -62.8 19.5 3.8 -7.0 31 33 A K H 3X S+ 0 0 64 -4,-2.5 4,-2.2 1,-0.3 5,-0.2 0.930 108.3 56.2 -42.3 -51.1 21.5 5.6 -4.4 32 34 A A H 3X S+ 0 0 52 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.3 0.895 111.5 41.0 -53.8 -44.8 20.4 8.8 -6.1 33 35 A R H XX S+ 0 0 42 -4,-2.1 4,-3.2 -3,-0.6 3,-0.8 0.923 110.7 55.3 -71.5 -44.6 16.7 7.9 -5.7 34 36 A M H 3X S+ 0 0 3 -4,-3.0 4,-1.5 1,-0.3 -1,-0.2 0.816 106.7 54.2 -57.5 -27.8 17.0 6.6 -2.2 35 37 A Y H 3X S+ 0 0 53 -4,-2.2 4,-1.1 -5,-0.4 -1,-0.3 0.853 111.9 43.9 -70.9 -31.8 18.5 9.9 -1.4 36 38 A E H X S+ 0 0 0 -4,-3.2 4,-2.9 1,-0.2 3,-0.7 0.953 105.8 56.9 -48.8 -50.7 12.8 9.4 -1.2 38 40 A A H 3X S+ 0 0 5 -4,-1.5 4,-2.0 -5,-0.3 -1,-0.2 0.878 105.7 48.6 -49.8 -47.2 14.4 10.2 2.1 39 41 A N H 3X S+ 0 0 30 -4,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.774 112.1 48.2 -70.0 -26.8 13.9 13.9 1.6 40 42 A I H < S+ 0 0 91 -4,-1.3 3,-1.2 -5,-0.2 4,-0.4 0.970 110.9 47.1 -60.0 -54.1 9.2 16.5 4.1 44 46 A I H >< S+ 0 0 2 -4,-3.0 3,-0.8 1,-0.2 135,-0.4 0.877 109.0 52.3 -56.7 -42.8 6.1 14.5 4.8 45 47 A L H ><>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 3,-0.6 0.547 83.5 89.0 -78.1 -5.6 6.8 13.8 8.5 46 48 A R G X<5S+ 0 0 91 -3,-1.2 3,-2.2 -4,-0.6 -1,-0.2 0.874 81.3 59.3 -62.5 -37.0 7.3 17.5 9.4 47 49 A Y G < 5S+ 0 0 114 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.902 103.6 53.2 -53.5 -40.7 3.6 17.9 10.1 48 50 A L G < 5S- 0 0 0 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.335 119.7-112.2 -77.1 8.5 4.1 15.2 12.8 49 51 A Y T < 5S+ 0 0 108 -3,-2.2 -42,-1.2 1,-0.2 2,-0.3 0.863 82.5 118.1 58.2 38.6 6.9 17.2 14.4 50 52 A M E < -a 7 0A 0 -5,-1.7 2,-0.3 -44,-0.2 -1,-0.2 -0.919 51.2-149.9-131.9 152.9 9.3 14.4 13.2 51 53 A H E -a 8 0A 5 -44,-1.0 -42,-2.4 -2,-0.3 2,-0.4 -0.851 6.6-143.6-118.6 162.7 12.3 14.3 10.9 52 54 A A E -a 9 0A 4 -2,-0.3 2,-0.5 -44,-0.2 -10,-0.2 -0.972 19.0-179.7-126.9 119.6 13.6 11.5 8.6 53 55 A A E -a 10 0A 2 -44,-2.9 -42,-1.5 -2,-0.4 2,-0.9 -0.960 24.0-136.7-126.7 119.8 17.4 11.2 8.2 54 56 A L E +a 11 0A 1 -2,-0.5 155,-2.3 -44,-0.2 156,-0.5 -0.583 30.6 165.5 -81.0 103.8 19.1 8.6 6.0 55 57 A V E + 0 0 7 -44,-2.6 2,-0.3 -2,-0.9 -43,-0.2 0.347 63.7 20.8-102.8 6.5 22.0 7.2 8.0 56 58 A G E -a 12 0A 6 -45,-0.5 -43,-2.3 35,-0.0 2,-0.4 -0.834 50.1-170.4-174.5 135.4 22.6 4.1 5.8 57 59 A L E +a 13 0A 36 -2,-0.3 2,-0.5 -45,-0.2 -43,-0.2 -0.993 10.7 178.8-128.9 124.4 22.0 2.6 2.4 58 60 A E E -a 14 0A 27 -45,-1.8 -43,-1.7 -2,-0.4 2,-0.5 -0.896 8.5-165.0-131.5 102.8 22.8 -1.0 1.7 59 61 A I E -a 15 0A 24 -2,-0.5 2,-1.9 -45,-0.2 3,-0.3 -0.758 17.2-144.2 -92.6 125.5 22.0 -2.4 -1.8 60 62 A W + 0 0 3 -45,-2.8 -40,-0.2 -2,-0.5 4,-0.1 -0.401 46.7 145.2 -83.1 61.7 22.0 -6.1 -2.2 61 63 A S S S+ 0 0 57 -2,-1.9 -1,-0.2 1,-0.1 3,-0.1 0.631 74.6 51.1 -74.7 -14.6 23.5 -5.9 -5.7 62 64 A N S S- 0 0 155 -3,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.934 128.9 -53.7 -79.8 -73.5 25.3 -9.1 -4.8 63 65 A G - 0 0 28 -4,-0.1 -1,-0.2 -46,-0.0 -2,-0.1 -0.930 60.5 -76.7-169.7 148.9 22.3 -11.1 -3.6 64 66 A D - 0 0 54 -2,-0.3 -48,-0.1 1,-0.2 -3,-0.0 -0.209 34.3-152.4 -48.7 124.2 19.3 -11.0 -1.2 65 67 A K S S+ 0 0 104 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.485 84.4 33.4 -85.7 -3.5 20.8 -11.7 2.3 66 68 A I S S- 0 0 18 16,-0.0 2,-0.6 0, 0.0 13,-0.0 -0.941 101.5 -96.7-135.4 160.8 17.4 -13.1 3.3 67 69 A T - 0 0 83 -2,-0.3 2,-1.0 1,-0.0 11,-0.1 -0.700 34.7-146.8 -74.9 116.8 14.9 -14.9 1.1 68 70 A V - 0 0 16 -2,-0.6 4,-0.1 10,-0.1 -1,-0.0 -0.772 23.4-164.7 -89.9 103.1 12.4 -12.3 0.0 69 71 A K - 0 0 91 -2,-1.0 6,-0.2 2,-0.2 33,-0.0 -0.630 29.4-126.9 -94.3 144.6 9.1 -14.3 -0.1 70 72 A P S S+ 0 0 64 0, 0.0 35,-2.8 0, 0.0 2,-0.5 0.821 96.3 81.0 -50.2 -40.1 5.8 -13.4 -1.8 71 73 A D S > S- 0 0 71 33,-0.2 4,-1.6 1,-0.2 -2,-0.2 -0.656 77.2-153.2 -76.8 126.3 4.0 -14.0 1.5 72 74 A V H > S+ 0 0 11 -2,-0.5 4,-1.0 33,-0.4 -1,-0.2 0.603 83.6 60.3 -87.0 -11.6 4.7 -10.8 3.2 73 75 A D H > S+ 0 0 51 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.880 107.0 45.2 -82.8 -41.1 4.4 -12.0 6.8 74 76 A Y H > S+ 0 0 94 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.992 113.2 51.2 -58.5 -57.9 7.3 -14.4 6.5 75 77 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.792 108.8 51.9 -52.9 -33.1 9.4 -11.9 4.7 76 78 A L H X S+ 0 0 0 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.920 109.3 46.3 -74.3 -46.1 8.8 -9.3 7.4 77 79 A N H X S+ 0 0 67 -4,-1.8 4,-1.0 -3,-0.3 -1,-0.2 0.768 114.4 53.1 -60.7 -27.5 9.8 -11.5 10.3 78 80 A S H X S+ 0 0 20 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.908 110.7 42.8 -72.8 -45.9 12.8 -12.4 8.2 79 81 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.832 112.6 54.9 -71.0 -31.4 13.9 -8.8 7.5 80 82 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.823 108.8 48.7 -68.8 -33.1 13.3 -8.0 11.1 81 83 A E H X S+ 0 0 40 -4,-1.0 4,-2.3 2,-0.2 5,-0.3 0.851 113.4 44.8 -76.0 -36.4 15.6 -10.8 12.2 82 84 A W H X>S+ 0 0 18 -4,-1.8 5,-2.1 2,-0.2 4,-2.0 0.861 108.0 59.0 -73.9 -37.0 18.4 -9.8 9.8 83 85 A R H <>S+ 0 0 4 -4,-2.2 5,-3.2 3,-0.2 -1,-0.2 0.887 114.8 37.4 -53.2 -38.8 18.0 -6.2 10.8 84 86 A K H <5S+ 0 0 70 -4,-1.0 5,-0.3 3,-0.2 -2,-0.2 0.906 122.3 37.0 -85.8 -46.5 18.8 -7.3 14.4 85 87 A T H <5S+ 0 0 92 -4,-2.3 -3,-0.2 3,-0.1 -2,-0.2 0.807 134.7 14.0 -82.2 -31.5 21.4 -10.0 14.1 86 88 A D T <5S+ 0 0 48 -4,-2.0 4,-0.5 -5,-0.3 -3,-0.2 0.818 127.9 39.4-110.3 -55.0 23.4 -8.5 11.2 87 89 A L T >> - 0 0 2 11,-0.7 3,-0.6 9,-0.3 37,-0.3 -0.188 43.4-119.0 -52.7 137.7 5.1 -3.7 12.9 114 116 A I T 3 S- 0 0 32 677,-0.4 34,-0.2 1,-0.2 33,-0.1 -0.562 86.4 -5.3 -80.8 146.2 2.7 -1.5 14.9 115 117 A G T 3 S+ 0 0 31 32,-1.7 -1,-0.2 31,-0.2 33,-0.2 0.810 92.8 128.5 37.3 51.8 4.2 0.8 17.6 116 118 A S X + 0 0 4 32,-0.7 3,-3.5 -3,-0.6 7,-0.2 0.526 18.4 144.4-109.2 -7.4 7.7 -0.7 17.1 117 119 A M T 3 S+ 0 0 7 31,-1.9 -22,-0.1 1,-0.3 81,-0.1 -0.021 79.2 9.2 -45.2 131.4 9.8 2.4 16.7 118 120 A a T 3 S+ 0 0 32 -24,-0.9 -1,-0.3 1,-0.3 -23,-0.1 0.161 88.1 140.1 83.5 -15.2 13.2 1.7 18.4 119 121 A H <> - 0 0 53 -3,-3.5 4,-1.9 1,-0.2 -1,-0.3 -0.416 60.1-127.1 -61.7 129.4 12.6 -2.0 19.0 120 122 A P T 4 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 -32,-0.1 0.777 103.5 15.3 -51.5 -28.5 15.8 -3.9 18.3 121 123 A K T 4 S+ 0 0 20 -5,-0.1 -38,-0.1 -37,-0.1 -37,-0.1 0.814 127.4 47.6-108.5 -45.2 14.0 -6.2 16.0 122 124 A R T 4 S+ 0 0 70 1,-0.1 2,-3.2 -6,-0.1 -9,-0.3 0.521 74.0 101.5 -89.4 -9.9 10.6 -4.7 15.1 123 125 A S S < S+ 0 0 0 -4,-1.9 -27,-1.5 -7,-0.2 2,-0.3 -0.397 71.7 100.3 -71.1 67.7 11.5 -1.2 14.2 124 126 A V E -c 96 0A 0 -2,-3.2 -11,-0.7 -29,-0.2 2,-0.3 -0.944 48.9-169.3-151.0 170.1 11.2 -2.2 10.5 125 127 A A E -cD 97 112A 0 -29,-1.3 -27,-1.9 -2,-0.3 2,-0.4 -0.938 18.3-135.2-167.7 137.5 9.0 -2.1 7.5 126 128 A I E -cD 98 111A 0 -15,-2.6 -15,-1.7 -2,-0.3 2,-0.4 -0.796 24.5-165.5 -97.7 140.3 8.9 -3.7 4.0 127 129 A V E -cD 99 110A 0 -29,-3.2 -27,-2.5 -2,-0.4 2,-0.3 -0.982 13.3-135.2-138.0 124.5 8.1 -1.4 1.1 128 130 A E E -c 100 0A 15 -19,-2.0 2,-2.9 -2,-0.4 -27,-0.2 -0.541 19.6-128.1 -79.3 137.1 7.0 -2.3 -2.5 129 131 A D + 0 0 7 -29,-3.0 -1,-0.1 -2,-0.3 8,-0.1 -0.396 49.2 164.3 -73.8 62.0 8.6 -0.5 -5.4 130 132 A Y + 0 0 102 -2,-2.9 -1,-0.2 -21,-0.2 3,-0.1 0.450 55.0 1.3 -72.4 -0.0 5.0 0.1 -6.3 131 133 A S - 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