==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (METALLOPROTEASE/INHIBITOR) 13-JAN-95 1SMP . COMPND 2 MOLECULE: SERRATIA METALLO PROTEINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SERRATIA MARCESCENS; . AUTHOR U.BAUMANN,M.BAUER,S.LETOFFE,P.DELEPELAIRE,C.WANDERSMAN . 568 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 0.2 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 . 56 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 0 1 1 1 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 10 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 PARALLEL BRIDGES PER LADDER . 8 6 2 3 2 2 1 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 . 2 2 1 0 0 2 0 1 0 1 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 4 A T > 0 0 71 0, 0.0 4,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 165.9 54.3 5.2 -11.3 2 5 A G H > + 0 0 2 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.810 360.0 62.1 -69.8 -27.6 51.2 5.3 -9.1 3 6 A Y H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.870 95.6 57.0 -65.0 -39.0 53.4 7.0 -6.6 4 7 A D H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.943 105.3 51.9 -57.8 -45.8 54.0 10.0 -8.9 5 8 A A H X S+ 0 0 27 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.921 110.9 47.5 -55.4 -48.6 50.3 10.7 -9.2 6 9 A V H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.904 111.1 52.0 -60.0 -43.1 49.9 10.7 -5.4 7 10 A D H X S+ 0 0 55 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.891 107.5 51.3 -62.0 -44.7 52.9 13.0 -5.1 8 11 A D H >< S+ 0 0 104 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.961 110.9 48.7 -57.4 -50.6 51.5 15.5 -7.5 9 12 A L H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.796 107.2 55.2 -61.4 -32.3 48.2 15.6 -5.7 10 13 A L H 3< S+ 0 0 65 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.589 111.9 44.0 -77.1 -13.1 49.9 16.1 -2.3 11 14 A H T X< S+ 0 0 92 -3,-1.4 3,-0.6 -4,-0.7 2,-0.4 0.108 83.2 128.1-116.0 18.9 51.8 19.2 -3.6 12 15 A Y T < S- 0 0 51 -3,-0.9 295,-0.3 1,-0.3 -3,-0.0 -0.634 81.6 -4.3 -77.9 126.2 48.8 20.7 -5.4 13 16 A H T 3 S- 0 0 48 -2,-0.4 -1,-0.3 1,-0.1 2,-0.1 0.921 79.0-173.2 55.7 55.6 48.3 24.3 -4.3 14 17 A E < - 0 0 116 -3,-0.6 2,-0.3 14,-0.0 -1,-0.1 -0.506 12.3-173.8 -73.8 149.8 50.9 24.7 -1.7 15 18 A R + 0 0 39 -2,-0.1 13,-0.2 11,-0.1 14,-0.1 -0.940 31.1 17.6-145.3 168.6 50.7 28.1 0.1 16 19 A G > + 0 0 1 11,-0.3 3,-1.4 -2,-0.3 11,-0.1 -0.261 69.0 101.2 67.9-161.6 52.2 30.4 2.5 17 20 A N T 3 S- 0 0 159 1,-0.3 3,-0.1 2,-0.0 10,-0.1 0.888 116.3 -56.2 51.7 52.1 55.9 30.0 3.6 18 21 A G T 3 S+ 0 0 76 8,-0.3 -1,-0.3 1,-0.2 9,-0.1 0.603 92.8 152.0 61.3 11.6 57.4 32.7 1.4 19 22 A I < - 0 0 56 -3,-1.4 7,-1.8 7,-0.2 2,-0.4 -0.390 33.8-149.2 -70.3 150.9 56.0 31.2 -1.8 20 23 A Q E +A 25 0A 117 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.999 18.0 177.6-125.5 127.4 55.3 33.7 -4.6 21 24 A I E > -A 24 0A 44 3,-2.9 3,-2.8 -2,-0.4 181,-0.1 -0.999 68.5 -5.3-135.1 135.3 52.4 33.1 -7.0 22 25 A N T 3 S- 0 0 88 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.772 128.6 -61.3 55.0 26.6 51.2 35.3 -9.8 23 26 A G T 3 S+ 0 0 62 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.564 118.7 105.6 77.5 12.5 53.8 37.9 -8.6 24 27 A K E < S-A 21 0A 51 -3,-2.8 -3,-2.9 1,-0.0 -1,-0.3 -0.853 79.2 -95.9-123.3 156.0 52.0 38.1 -5.2 25 28 A D E -Ab 20 201A 88 175,-0.6 177,-2.8 -2,-0.3 2,-0.5 -0.363 38.5-125.1 -65.3 152.1 52.8 36.8 -1.8 26 29 A S - 0 0 7 -7,-1.8 2,-0.3 175,-0.2 -8,-0.3 -0.858 23.5-157.8-102.5 126.7 51.2 33.5 -0.9 27 30 A F - 0 0 30 -2,-0.5 -11,-0.3 -11,-0.1 2,-0.1 -0.792 13.7-126.0-102.8 150.2 49.1 33.6 2.3 28 31 A S > - 0 0 34 -2,-0.3 4,-3.0 -13,-0.2 5,-0.3 -0.429 35.4 -95.3 -85.4 170.1 48.3 30.5 4.2 29 32 A N H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.911 127.2 47.2 -52.2 -44.3 44.7 29.5 5.2 30 33 A E H > S+ 0 0 142 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 112.3 47.2 -68.6 -40.6 45.3 31.2 8.6 31 34 A Q H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 111.6 50.9 -66.7 -44.1 46.8 34.4 7.2 32 35 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.891 108.4 53.7 -60.3 -38.6 44.1 34.8 4.6 33 36 A G H X S+ 0 0 2 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.906 111.0 44.4 -63.6 -43.3 41.4 34.4 7.3 34 37 A L H >< S+ 0 0 78 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.894 112.1 53.2 -69.2 -36.6 42.9 37.1 9.5 35 38 A F H >< S+ 0 0 47 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.852 102.6 56.5 -66.9 -37.0 43.3 39.4 6.5 36 39 A I H 3< S+ 0 0 0 -4,-2.0 146,-2.6 1,-0.3 3,-0.3 0.753 110.4 47.7 -66.0 -21.7 39.7 39.1 5.4 37 40 A T T X< S+ 0 0 2 -4,-0.7 3,-2.0 -3,-0.6 -1,-0.3 0.052 73.2 125.6-107.5 26.8 38.8 40.3 8.9 38 41 A R T < + 0 0 55 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.695 60.7 69.8 -60.0 -21.8 41.2 43.2 8.9 39 42 A E T 3 S- 0 0 97 -3,-0.3 -1,-0.3 141,-0.3 3,-0.1 0.669 89.9-147.7 -69.6 -18.5 38.4 45.7 9.7 40 43 A N < + 0 0 45 -3,-2.0 7,-3.3 1,-0.2 2,-0.6 0.618 48.7 138.8 60.2 18.1 38.2 44.2 13.2 41 44 A Q E +C 46 0B 46 139,-0.4 2,-0.3 5,-0.2 -1,-0.2 -0.828 21.6 162.1 -99.8 117.9 34.5 44.9 13.3 42 45 A T E > -C 45 0B 0 3,-1.0 3,-1.9 -2,-0.6 138,-0.1 -0.873 52.8-109.0-129.2 164.5 32.1 42.3 14.7 43 46 A W T 3 S+ 0 0 44 136,-0.5 3,-0.1 -2,-0.3 137,-0.1 0.591 119.4 58.0 -65.7 -11.4 28.6 42.2 16.1 44 47 A N T 3 S- 0 0 60 1,-0.4 -1,-0.3 4,-0.3 2,-0.2 0.455 124.2 -80.4 -96.5 -2.4 30.1 41.6 19.5 45 48 A G E X -C 42 0B 21 -3,-1.9 3,-1.4 3,-0.1 -3,-1.0 -0.595 65.9 -39.9 127.0 169.3 32.1 44.9 19.4 46 49 A Y E 3 S-C 41 0B 135 1,-0.3 -5,-0.2 -2,-0.2 3,-0.1 -0.548 127.2 -5.1 -69.1 125.3 35.3 46.3 17.9 47 50 A K T 3 S+ 0 0 120 -7,-3.3 2,-0.9 -2,-0.3 -1,-0.3 0.687 92.0 137.9 62.5 21.3 38.1 43.7 18.2 48 51 A V < - 0 0 51 -3,-1.4 -4,-0.3 -8,-0.3 2,-0.3 -0.850 34.1-179.4 -98.8 102.0 35.9 41.2 20.2 49 52 A F + 0 0 63 -2,-0.9 193,-0.2 1,-0.2 194,-0.2 -0.764 45.6 19.6-108.3 152.0 36.8 37.9 18.6 50 53 A G S S+ 0 0 35 192,-1.0 193,-0.3 191,-0.7 -1,-0.2 0.532 80.9 126.4 76.8 10.2 35.7 34.3 19.0 51 54 A Q - 0 0 101 191,-0.9 -1,-0.3 -3,-0.2 -7,-0.1 -0.743 61.2-116.4 -99.7 144.8 32.4 34.9 20.8 52 55 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 47,-0.2 -0.305 32.9-160.1 -71.4 167.7 29.2 33.3 19.5 53 56 A V E -d 99 0C 13 45,-2.6 47,-2.4 190,-0.1 2,-0.5 -0.991 16.7-151.5-151.1 150.1 26.4 35.7 18.4 54 57 A K E -d 100 0C 146 -2,-0.3 2,-0.3 45,-0.2 47,-0.2 -0.994 24.2-177.1-127.3 118.3 22.7 35.6 17.8 55 58 A L E -d 101 0C 3 45,-3.1 47,-2.1 -2,-0.5 2,-0.3 -0.823 18.2-140.7-116.1 156.9 21.3 37.9 15.1 56 59 A T E -d 102 0C 31 -2,-0.3 56,-2.2 45,-0.2 55,-0.6 -0.793 19.9-173.4-110.1 157.6 17.9 38.8 13.8 57 60 A F E +de 103 112C 11 45,-1.5 47,-2.6 -2,-0.3 2,-0.3 -0.970 4.6 176.3-148.1 156.2 17.1 39.4 10.2 58 61 A S E - e 0 113C 1 54,-1.4 56,-1.3 -2,-0.3 47,-0.1 -0.975 33.3-127.0-156.0 167.4 14.1 40.6 8.2 59 62 A F - 0 0 3 45,-0.3 47,-0.2 -2,-0.3 56,-0.1 -0.869 39.2-150.5-120.3 86.1 12.9 41.5 4.7 60 63 A P - 0 0 23 0, 0.0 2,-1.6 0, 0.0 18,-0.3 -0.203 19.6-113.6 -59.4 153.2 11.4 44.9 5.2 61 64 A D - 0 0 125 16,-0.1 2,-0.2 54,-0.1 16,-0.1 -0.625 40.6-166.9 -89.5 78.8 8.5 46.2 3.1 62 65 A Y - 0 0 48 -2,-1.6 2,-0.4 1,-0.1 15,-0.3 -0.454 16.6-129.1 -70.3 136.8 10.3 49.0 1.2 63 66 A K > - 0 0 117 -2,-0.2 3,-2.5 13,-0.1 12,-0.5 -0.746 19.3-122.2 -88.9 135.1 8.2 51.5 -0.6 64 67 A F T 3 S+ 0 0 99 -2,-0.4 10,-1.9 1,-0.3 11,-1.0 0.769 107.5 49.5 -42.7 -41.9 9.2 52.0 -4.2 65 68 A S T 3 S+ 0 0 83 9,-0.2 -1,-0.3 8,-0.2 -3,-0.0 0.442 87.1 103.9 -85.5 0.3 9.7 55.8 -3.9 66 69 A S < - 0 0 47 -3,-2.5 8,-0.6 9,-0.1 9,-0.4 -0.232 61.5-141.5 -72.0 172.4 11.9 55.7 -0.8 67 70 A T B -J 73 0D 86 6,-0.2 6,-0.2 7,-0.1 2,-0.1 -0.986 11.5-139.0-136.0 136.2 15.6 56.3 -1.0 68 71 A N > - 0 0 19 4,-2.4 3,-2.7 -2,-0.4 4,-0.1 -0.398 38.1 -88.1 -90.2 176.3 18.1 54.4 1.1 69 72 A V T 3 S+ 0 0 50 1,-0.3 -1,-0.1 2,-0.1 76,-0.0 0.777 127.6 58.3 -55.3 -28.1 21.2 55.8 2.9 70 73 A A T 3 S- 0 0 51 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.428 120.1-108.9 -82.3 0.9 23.2 55.2 -0.3 71 74 A G S < S+ 0 0 37 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.709 72.6 139.7 81.1 19.3 20.9 57.4 -2.3 72 75 A D + 0 0 18 -4,-0.1 -4,-2.4 49,-0.1 -1,-0.3 -0.730 25.2 177.5 -97.7 149.4 19.3 54.5 -4.2 73 76 A T B +JK 67 119D 4 46,-3.0 46,-2.7 -2,-0.3 45,-2.0 -0.741 47.8 80.4-137.0-175.5 15.6 54.3 -4.9 74 77 A G S S+ 0 0 0 -10,-1.9 -9,-0.2 -8,-0.6 -10,-0.2 0.895 72.7 178.3 73.9 41.9 13.0 52.1 -6.8 75 78 A L + 0 0 4 -11,-1.0 2,-0.3 -12,-0.5 42,-0.2 -0.153 15.7 174.0 -76.0 168.5 13.1 49.9 -3.7 76 79 A S B -F 116 0C 41 40,-1.2 40,-2.3 -13,-0.1 2,-0.2 -0.974 34.0 -98.3-171.7 157.1 11.1 46.7 -2.9 77 80 A K - 0 0 70 -15,-0.3 2,-0.2 -2,-0.3 38,-0.1 -0.496 56.3 -88.2 -77.8 154.1 10.8 43.9 -0.4 78 81 A F - 0 0 2 36,-0.4 -1,-0.1 -18,-0.3 -19,-0.1 -0.450 44.3-124.6 -65.0 134.2 12.5 40.5 -1.2 79 82 A S > - 0 0 51 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.146 30.7 -97.2 -69.0 175.8 10.3 38.2 -3.2 80 83 A A H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.889 125.4 48.8 -63.6 -41.5 9.6 34.7 -2.0 81 84 A E H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.948 112.4 48.2 -62.7 -48.8 12.4 33.1 -4.1 82 85 A Q H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.887 112.2 49.4 -60.3 -41.1 14.9 35.7 -2.9 83 86 A Q H X S+ 0 0 40 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.857 110.2 51.5 -65.8 -37.6 13.8 35.1 0.7 84 87 A Q H X S+ 0 0 101 -4,-2.0 4,-1.3 2,-0.2 3,-0.3 0.975 114.8 41.2 -62.4 -54.9 14.2 31.4 0.2 85 88 A Q H X S+ 0 0 10 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.880 111.3 56.4 -63.3 -37.8 17.7 31.7 -1.2 86 89 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -1,-0.2 0.869 106.2 51.7 -63.5 -35.2 18.7 34.4 1.4 87 90 A K H X S+ 0 0 86 -4,-1.6 4,-1.8 -3,-0.3 -1,-0.2 0.823 107.1 52.7 -71.5 -27.4 17.7 32.0 4.2 88 91 A L H X S+ 0 0 50 -4,-1.3 4,-1.7 -3,-0.2 -2,-0.2 0.894 110.5 47.6 -73.3 -38.5 19.9 29.2 2.6 89 92 A S H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.930 109.9 52.5 -66.9 -45.9 22.9 31.6 2.5 90 93 A L H >X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 3,-0.8 0.935 108.7 51.6 -55.0 -46.2 22.4 32.7 6.1 91 94 A Q H 3X S+ 0 0 71 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.879 101.5 59.2 -59.6 -41.8 22.3 29.1 7.2 92 95 A S H 3X S+ 0 0 3 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.769 108.0 46.7 -61.5 -25.2 25.6 28.2 5.5 93 96 A W H - 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