==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JAN-12 4DCF . COMPND 2 MOLECULE: MTX-II CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS BRAZILI; . AUTHOR A.ULLAH,T.A.C.B.SOUZA,C.BETZEL,M.T.MURAKAMI,R.K.ARNI . 488 4 24 24 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 61.3 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 . 27 5.5 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 0.4 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 . 38 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 3 0 0 0 0 1 1 2 1 2 1 0 1 0 3 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 . 4 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 S >> 0 0 9 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 168.4 5.5 1.2 -0.7 2 2 A L H 3> + 0 0 111 58,-1.2 4,-1.6 1,-0.2 59,-0.1 0.583 360.0 67.7 -60.8 -15.0 7.1 -0.1 2.5 3 3 A V H 3> S+ 0 0 88 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.947 106.0 36.8 -69.9 -48.2 5.4 -3.4 1.8 4 4 A E H <> S+ 0 0 6 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.954 115.3 53.4 -71.7 -50.4 7.6 -4.1 -1.3 5 5 A L H X S+ 0 0 25 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.937 108.8 51.2 -43.4 -56.1 10.7 -2.6 0.2 6 6 A G H X S+ 0 0 14 -4,-1.6 4,-2.4 1,-0.3 -1,-0.2 0.869 109.6 50.1 -53.0 -45.1 10.4 -4.9 3.2 7 7 A K H X S+ 0 0 109 -4,-1.7 4,-2.6 2,-0.2 -1,-0.3 0.867 110.6 49.0 -61.8 -43.3 10.0 -7.9 1.0 8 8 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 -3,-0.3 5,-0.3 0.944 110.5 49.3 -64.1 -51.1 13.1 -7.1 -1.1 9 9 A I H X>S+ 0 0 13 -4,-2.5 4,-3.2 2,-0.2 5,-0.6 0.968 113.9 46.6 -51.9 -56.0 15.3 -6.5 1.9 10 10 A L H X5S+ 0 0 81 -4,-2.4 4,-3.5 -5,-0.2 -2,-0.2 0.948 112.7 50.7 -50.8 -52.2 14.2 -9.8 3.5 11 11 A Q H <5S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 119.0 34.6 -57.3 -45.9 14.7 -11.7 0.1 12 12 A E H <5S+ 0 0 2 -4,-2.7 182,-0.5 -5,-0.1 -1,-0.2 0.906 132.9 28.1 -73.7 -43.2 18.2 -10.4 -0.5 13 13 A T H <5S- 0 0 7 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.813 89.8-132.5 -93.0 -36.3 19.4 -10.4 3.2 14 14 A G << + 0 0 37 -4,-3.5 2,-0.3 -5,-0.6 -4,-0.2 0.714 68.0 108.9 82.6 23.6 17.3 -13.0 5.0 15 15 A K S S- 0 0 90 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.925 80.3 -93.1-128.7 157.4 16.4 -10.7 7.9 16 16 A N > - 0 0 84 -2,-0.3 4,-2.4 1,-0.2 5,-0.5 -0.525 31.1-144.6 -61.0 118.8 13.3 -8.9 9.3 17 17 A P H > S+ 0 0 37 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.777 99.9 46.2 -60.2 -21.5 13.5 -5.4 7.7 18 18 A A H > S+ 0 0 65 3,-0.2 4,-1.1 2,-0.2 5,-0.2 0.925 114.4 42.9 -87.5 -50.9 12.1 -4.1 11.0 19 19 A K H 4 S+ 0 0 148 2,-0.1 4,-0.3 1,-0.1 -1,-0.1 0.965 124.9 35.2 -52.6 -53.9 14.2 -5.9 13.5 20 20 A S H < S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.903 138.2 9.8 -77.6 -49.1 17.5 -5.4 11.6 21 21 A Y H >< S+ 0 0 7 -4,-0.9 3,-0.7 -5,-0.5 -1,-0.2 0.259 87.5 118.4-117.7 10.1 17.3 -1.9 9.9 22 22 A G T 3< S- 0 0 27 -4,-1.1 2,-0.3 1,-0.3 -3,-0.1 0.864 101.7 -3.6 -47.7 -51.0 14.1 -0.6 11.7 23 23 A A T 3 S+ 0 0 13 -4,-0.3 2,-0.5 -5,-0.2 -1,-0.3 -0.772 90.8 159.7-142.2 96.5 16.1 2.2 13.2 24 24 A Y B X> -A 28 0A 0 4,-2.0 4,-1.9 -3,-0.7 3,-0.5 -0.966 51.9 -48.0-129.3 118.6 19.8 1.8 12.3 25 25 A G T 34 S- 0 0 2 82,-2.3 91,-0.1 -2,-0.5 -4,-0.0 -0.279 101.5 -37.2 66.6-145.9 22.5 4.5 12.3 26 26 A a T 34 S+ 0 0 8 8,-0.1 -1,-0.2 9,-0.1 9,-0.1 0.714 135.8 18.3 -84.0 -26.0 21.8 7.9 10.7 27 27 A N T <4 S+ 0 0 0 -3,-0.5 2,-0.4 6,-0.1 3,-0.4 0.595 90.8 99.3-129.8 -14.9 19.7 6.8 7.7 28 28 A b B < S-A 24 0A 2 -4,-1.9 -4,-2.0 1,-0.2 3,-0.1 -0.694 104.4 -17.9 -85.8 130.9 18.2 3.3 7.9 29 29 A G S S+ 0 0 58 -2,-0.4 -1,-0.2 -6,-0.2 2,-0.2 0.573 118.9 90.8 57.4 15.9 14.6 3.1 8.9 30 30 A V S S- 0 0 52 -3,-0.4 2,-0.4 -6,-0.2 -1,-0.2 -0.616 81.5 -77.7-131.4-172.8 14.6 6.6 10.4 31 31 A L S S- 0 0 157 -2,-0.2 -3,-0.1 -3,-0.1 0, 0.0 -0.773 81.8 -6.7-107.9 135.8 13.8 10.2 9.1 32 32 A G S S- 0 0 45 -2,-0.4 2,-0.3 -5,-0.1 -2,-0.2 0.149 82.6 -76.7 73.4 165.0 16.0 12.4 7.0 33 33 A R + 0 0 69 15,-0.1 86,-0.5 87,-0.0 2,-0.3 -0.713 45.9 173.6 -95.3 146.6 19.6 11.9 5.9 34 34 A G B -B 118 0B 5 -2,-0.3 84,-0.2 84,-0.2 86,-0.1 -0.936 50.5 -69.4-141.7 166.6 22.8 12.3 8.1 35 35 A K - 0 0 107 82,-1.7 82,-0.4 -2,-0.3 84,-0.1 -0.431 67.6-113.2 -58.7 116.8 26.5 11.6 7.7 36 36 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.263 21.3-157.3 -66.6 142.5 26.6 7.8 7.6 37 37 A K S S+ 0 0 81 70,-0.1 2,-0.2 -3,-0.1 -12,-0.1 0.891 73.2 1.9 -81.6 -46.3 28.2 5.9 10.4 38 38 A D S > S- 0 0 19 69,-0.1 4,-1.8 1,-0.0 5,-0.1 -0.626 83.9 -88.4-130.5-168.9 28.9 2.6 8.5 39 39 A A H > S+ 0 0 18 2,-0.2 4,-0.8 1,-0.2 60,-0.1 0.888 126.9 52.8 -74.1 -39.1 28.6 1.0 5.1 40 40 A T H >> S+ 0 0 0 59,-0.3 4,-1.2 1,-0.2 3,-0.7 0.895 109.1 52.4 -56.6 -43.1 25.1 -0.2 6.0 41 41 A D H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.894 104.6 54.4 -57.7 -44.1 24.3 3.4 6.9 42 42 A R H 3X S+ 0 0 141 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.692 100.6 62.3 -68.3 -16.4 25.6 4.7 3.6 43 43 A c H < S+ 0 0 31 -4,-1.2 3,-3.4 2,-0.2 -2,-0.2 0.914 101.4 65.7 -73.0 -47.5 13.7 9.1 -3.2 52 52 A K H 3< S+ 0 0 148 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.901 103.8 48.3 -38.6 -53.1 14.5 12.9 -3.1 53 53 A K T 3< S+ 0 0 74 -4,-2.0 2,-1.3 1,-0.1 -1,-0.3 0.476 88.5 101.5 -71.8 -0.2 14.4 12.8 -7.0 54 54 A L < + 0 0 14 -3,-3.4 2,-0.5 -5,-0.2 3,-0.4 -0.681 41.0 158.3 -94.7 89.0 11.1 10.9 -7.0 55 55 A T + 0 0 117 -2,-1.3 3,-0.1 1,-0.2 -3,-0.0 -0.955 65.1 38.8-104.8 127.3 8.5 13.4 -7.7 56 56 A D S S+ 0 0 155 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.359 107.7 75.8 111.2 2.3 5.3 11.9 -9.1 57 57 A C S S- 0 0 11 -3,-0.4 3,-0.1 -6,-0.1 -1,-0.1 -0.969 73.0-138.2-149.4 129.4 5.5 8.9 -6.7 58 58 A D >> - 0 0 77 -2,-0.3 3,-2.9 1,-0.2 4,-1.2 -0.621 23.8-169.2 -82.9 82.2 4.8 8.5 -3.1 59 59 A P T 34 S+ 0 0 21 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.823 81.6 54.6 -43.1 -38.1 7.8 6.4 -2.5 60 60 A K T 34 S+ 0 0 105 1,-0.2 -58,-1.2 -59,-0.1 -2,-0.1 0.570 127.7 13.9 -74.7 -8.7 6.6 5.5 1.0 61 61 A K T <4 S+ 0 0 154 -3,-2.9 2,-0.8 -60,-0.3 -1,-0.2 0.309 85.3 117.6-152.4 7.8 3.2 4.2 -0.2 62 62 A D < - 0 0 40 -4,-1.2 2,-0.1 -3,-0.3 -1,-0.0 -0.803 57.9-134.2-103.6 103.9 3.0 3.6 -4.0 63 63 A R + 0 0 159 -2,-0.8 2,-0.3 -59,-0.0 19,-0.1 -0.312 31.6 172.2 -62.8 128.9 2.3 -0.0 -4.7 64 64 A Y - 0 0 14 -63,-0.1 2,-0.4 -2,-0.1 14,-0.0 -0.846 25.8-123.5-126.8 174.1 4.4 -1.5 -7.4 65 65 A S + 0 0 62 -2,-0.3 11,-2.6 11,-0.1 2,-0.3 -0.956 32.9 155.3-119.8 131.6 5.0 -5.0 -8.9 66 66 A Y E -C 75 0C 34 -2,-0.4 2,-0.3 9,-0.3 9,-0.3 -0.810 23.9-139.0-134.9-177.4 8.3 -6.8 -9.2 67 67 A S E -C 74 0C 60 7,-2.5 7,-2.8 -2,-0.3 2,-0.6 -0.963 15.0-126.7-144.4 160.5 9.2 -10.5 -9.4 68 68 A W E +C 73 0C 39 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.971 39.9 171.0-108.8 114.4 11.8 -12.9 -8.1 69 69 A K E > -C 72 0C 75 3,-3.3 3,-0.8 -2,-0.6 68,-0.1 -0.978 66.4 -15.7-137.1 117.6 13.3 -14.6 -11.2 70 70 A D T 3 S- 0 0 18 -2,-0.4 -1,-0.1 1,-0.2 66,-0.1 0.921 129.8 -54.2 50.3 45.2 16.3 -16.9 -11.2 71 71 A K T 3 S+ 0 0 14 64,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.732 119.5 109.1 61.6 26.5 17.1 -15.5 -7.8 72 72 A T E < S-C 69 0C 15 -3,-0.8 -3,-3.3 2,-0.0 2,-0.8 -0.976 72.7-117.6-130.2 145.5 17.0 -11.9 -9.0 73 73 A I E -C 68 0C 0 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.743 30.3-171.0 -80.1 111.6 14.5 -9.1 -8.4 74 74 A V E -C 67 0C 24 -7,-2.8 -7,-2.5 -2,-0.8 2,-0.2 -0.945 17.4-136.8-106.1 118.9 13.0 -8.1 -11.8 75 75 A f E -C 66 0C 10 -2,-0.6 -9,-0.3 -9,-0.3 8,-0.1 -0.530 18.3-119.9 -73.9 134.1 10.9 -4.9 -11.6 76 76 A G - 0 0 19 -11,-2.6 10,-0.1 -2,-0.2 -1,-0.1 -0.236 30.7-106.3 -65.6 162.5 7.6 -4.9 -13.5 77 77 A E + 0 0 141 -11,-0.0 -1,-0.1 6,-0.0 -2,-0.0 0.971 63.9 136.3 -59.2 -81.8 7.2 -2.3 -16.1 78 78 A N - 0 0 73 4,-0.1 2,-0.1 5,-0.1 -14,-0.1 -0.069 66.8 -36.2 60.0-167.9 4.8 0.3 -14.7 79 79 A N > - 0 0 74 1,-0.1 4,-2.9 4,-0.0 5,-0.2 -0.453 62.0-103.1 -84.9 159.6 5.5 4.0 -15.2 80 80 A S H > S+ 0 0 99 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.841 121.8 52.2 -48.0 -42.4 9.0 5.6 -15.1 81 81 A C H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.996 113.7 41.9 -56.7 -62.9 8.4 6.9 -11.6 82 82 A L H > S+ 0 0 25 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.802 112.9 55.0 -58.3 -32.3 7.4 3.5 -10.3 83 83 A K H X S+ 0 0 54 -4,-2.9 4,-2.4 2,-0.2 -1,-0.3 0.962 110.4 45.4 -62.6 -51.2 10.2 1.9 -12.3 84 84 A E H X S+ 0 0 58 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.910 111.6 52.5 -57.5 -46.6 12.6 4.2 -10.6 85 85 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.923 109.4 49.1 -55.5 -47.5 11.1 3.6 -7.2 86 86 A f H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.877 110.1 52.5 -60.4 -40.0 11.4 -0.1 -7.7 87 87 A E H X S+ 0 0 82 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.961 105.3 53.7 -57.5 -54.4 15.0 0.3 -8.7 88 88 A e H X S+ 0 0 4 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.897 111.1 46.5 -49.0 -49.3 15.9 2.3 -5.6 89 89 A D H >X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 3,-0.6 0.937 111.2 50.4 -63.3 -48.1 14.5 -0.4 -3.4 90 90 A K H 3X S+ 0 0 36 -4,-2.4 4,-3.4 1,-0.2 5,-0.2 0.959 110.5 50.2 -48.8 -54.9 16.3 -3.2 -5.3 91 91 A A H 3X S+ 0 0 56 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.729 113.2 46.6 -61.2 -26.4 19.6 -1.4 -5.1 92 92 A V H < S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.942 108.0 48.0 -61.1 -52.4 22.3 -4.0 2.4 97 97 A R H >< S+ 0 0 51 -4,-2.2 3,-1.4 1,-0.2 4,-0.2 0.932 107.9 58.4 -50.9 -46.8 23.1 -7.7 1.7 98 98 A E H 3< S+ 0 0 120 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.762 107.8 46.0 -55.3 -31.3 26.5 -6.7 0.4 99 99 A N T << S+ 0 0 42 -4,-1.0 3,-0.3 -3,-1.0 -1,-0.3 -0.200 71.8 109.7-114.7 38.0 27.5 -5.0 3.7 100 100 A L X + 0 0 39 -3,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.772 64.5 77.3 -77.7 -28.1 26.4 -7.5 6.3 101 101 A D T 3 S+ 0 0 159 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.824 106.8 31.9 -47.5 -36.1 30.0 -8.3 7.1 102 102 A T T 3 S+ 0 0 82 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.2 0.188 77.1 141.0-114.0 16.3 30.1 -5.0 9.1 103 103 A Y < - 0 0 43 -3,-1.6 2,-0.5 1,-0.1 -3,-0.1 -0.444 35.5-163.1 -56.2 125.9 26.6 -4.7 10.4 104 104 A N > - 0 0 67 -2,-0.1 3,-3.3 1,-0.1 4,-0.1 -0.857 20.1-163.6-125.1 94.5 27.2 -3.4 13.9 105 105 A K G > S+ 0 0 136 -2,-0.5 3,-1.6 1,-0.3 6,-0.2 0.615 86.9 81.5 -50.8 -13.9 24.2 -3.7 16.4 106 106 A K G 3 S+ 0 0 137 1,-0.3 -1,-0.3 3,-0.0 5,-0.1 0.899 94.2 45.3 -54.3 -43.0 26.2 -1.1 18.3 107 107 A Y G < S+ 0 0 54 -3,-3.3 2,-2.7 1,-0.1 -82,-2.3 0.210 77.1 125.9 -87.8 13.4 24.6 1.4 15.9 108 108 A R X - 0 0 74 -3,-1.6 3,-3.0 -84,-0.2 -84,-0.2 -0.389 57.0-149.2 -73.2 71.6 21.1 -0.2 16.3 109 109 A N T 3 S+ 0 0 20 -2,-2.7 3,-0.2 1,-0.3 4,-0.2 -0.148 87.6 67.7 -42.0 109.1 19.5 3.1 17.3 110 110 A N T 3 S+ 0 0 146 1,-0.5 2,-0.6 3,-0.1 -1,-0.3 -0.191 95.1 64.1 151.2 -37.4 16.7 1.7 19.5 111 111 A H S < S- 0 0 146 -3,-3.0 -1,-0.5 1,-0.3 0, 0.0 -0.975 139.7 -33.3 -93.6 119.9 19.6 0.7 21.8 112 112 A L S S- 0 0 142 -2,-0.6 -1,-0.3 -3,-0.2 0, 0.0 0.787 83.5-116.2 26.3 103.6 20.7 4.2 22.5 113 113 A K - 0 0 151 -4,-0.2 2,-0.4 -3,-0.2 -5,-0.1 0.243 34.1-107.6 -43.6-174.2 20.1 6.3 19.4 114 114 A P - 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