==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 22-SEP-99 1D2B . COMPND 2 MOLECULE: TISSUE INHIBITOR OF METALLOPROTEINASES-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.WU,S.ARUMUGAM,V.SEMENCHENKO,K.BREW,S.R.VAN DOREN . 126 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 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 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 . 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 . 17 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.2 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 1 0 1 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 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 0 0 PARALLEL BRIDGES PER LADDER . 0 4 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 a 0 0 77 0, 0.0 2,-1.9 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 -43.8 -8.2 14.2 3.1 2 2 A T + 0 0 127 67,-0.1 97,-0.1 97,-0.0 2,-0.1 -0.346 360.0 157.1 -59.0 84.0 -6.0 15.3 0.2 3 3 A b - 0 0 59 -2,-1.9 97,-0.1 1,-0.1 -1,-0.0 -0.247 43.5 -88.6 -99.1-170.5 -2.8 15.8 2.3 4 4 A V - 0 0 112 95,-0.1 -1,-0.1 -2,-0.1 95,-0.0 -0.797 56.6 -78.4-104.9 145.8 0.9 15.8 1.4 5 5 A P - 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.147 55.2-137.1 -44.0 113.7 3.2 12.7 1.3 6 6 A P - 0 0 38 0, 0.0 5,-0.3 0, 0.0 95,-0.1 -0.614 33.8 -75.0 -85.6 136.9 4.0 12.0 5.0 7 7 A H > - 0 0 113 -2,-0.3 4,-3.9 1,-0.2 5,-0.2 0.128 35.0-137.3 -28.5 125.4 7.5 11.1 6.3 8 8 A P H >>S+ 0 0 10 0, 0.0 4,-4.4 0, 0.0 5,-0.6 0.779 105.2 64.2 -62.6 -23.7 8.3 7.5 5.4 9 9 A Q H >>S+ 0 0 70 2,-0.2 4,-2.9 3,-0.2 5,-0.6 0.998 113.2 33.4 -56.7 -61.7 9.8 7.2 8.8 10 10 A T H >>S+ 0 0 64 3,-0.2 4,-3.1 1,-0.2 5,-0.6 0.945 123.0 46.8 -57.6 -54.1 6.3 7.8 10.0 11 11 A A H X5S+ 0 0 9 -4,-3.9 4,-1.4 -5,-0.3 -2,-0.2 0.904 118.4 41.3 -58.5 -44.1 4.6 6.0 7.1 12 12 A F H <5S+ 0 0 0 -4,-4.4 -2,-0.2 -5,-0.2 -3,-0.2 0.981 126.9 31.0 -65.8 -59.9 6.9 2.9 7.3 13 13 A c H < - 0 0 86 5,-0.8 3,-0.6 -2,-0.7 4,-0.5 -0.376 18.5-139.3 -67.2 153.4 -20.3 -1.5 -1.1 31 31 A Q T 3 S+ 0 0 177 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.528 103.9 38.1 -81.1 -14.2 -23.2 0.9 -0.6 32 32 A T T 3 S+ 0 0 125 3,-0.1 -1,-0.2 1,-0.0 -2,-0.1 -0.365 99.0 75.5-138.8 54.2 -23.0 0.0 3.1 33 33 A T S < S- 0 0 22 -3,-0.6 -2,-0.1 32,-0.1 3,-0.1 0.611 73.7-142.3-124.3 -53.0 -19.4 -0.3 3.9 34 34 A L S S+ 0 0 98 -4,-0.5 31,-3.3 1,-0.2 32,-0.4 0.320 82.5 64.8 90.6 -7.8 -17.9 3.0 4.1 35 35 A Y E - E 0 64B 93 29,-0.5 -5,-0.8 30,-0.3 -1,-0.2 -0.927 63.9-156.0-144.3 164.4 -14.9 1.3 2.4 36 36 A Q E -DE 29 63B 46 27,-4.1 27,-1.0 -2,-0.3 2,-0.3 -0.695 11.7-129.7-130.5-177.1 -13.9 -0.4 -0.8 37 37 A R E -DE 28 62B 40 -9,-0.9 -9,-2.3 -2,-0.2 2,-0.3 -1.000 8.7-164.6-144.5 146.7 -11.3 -2.9 -2.0 38 38 A Y E - E 0 61B 28 23,-1.2 23,-1.7 -2,-0.3 2,-0.3 -0.927 19.5-132.5-124.9 149.3 -8.8 -3.1 -4.9 39 39 A E E - E 0 60B 90 -2,-0.3 -15,-1.0 21,-0.2 -14,-0.7 -0.804 28.0-175.1-102.8 143.2 -7.0 -6.3 -6.1 40 40 A I E -A 23 0A 8 19,-3.0 2,-2.1 -2,-0.3 -17,-0.3 -0.985 36.7-122.3-149.8 138.8 -3.3 -6.3 -6.6 41 41 A K E -A 22 0A 119 -19,-2.5 -19,-2.3 -2,-0.4 2,-0.3 -0.521 40.5-148.0 -73.0 83.1 -0.5 -8.5 -7.9 42 42 A M E -A 21 0A 38 -2,-2.1 -21,-0.3 -21,-0.3 3,-0.1 -0.396 18.9-176.3 -60.1 114.7 1.5 -8.4 -4.7 43 43 A T E - 0 0 32 -23,-1.3 2,-0.3 -2,-0.3 -22,-0.2 0.982 60.8 -24.5 -77.6 -63.3 5.1 -8.5 -5.7 44 44 A K E -A 20 0A 82 -24,-1.6 -24,-2.5 12,-0.0 2,-0.4 -0.990 59.0-123.8-151.5 150.1 6.9 -8.6 -2.3 45 45 A M E +A 19 0A 36 -2,-0.3 -26,-0.3 -26,-0.2 3,-0.1 -0.803 21.0 177.4 -98.2 137.1 6.1 -7.5 1.2 46 46 A Y E S+ 0 0 8 -28,-2.6 2,-0.4 -2,-0.4 -27,-0.2 0.794 77.1 21.1-103.5 -41.4 8.4 -5.1 3.1 47 47 A K E S+A 18 0A 30 -29,-3.9 -29,-3.4 1,-0.1 -1,-0.4 -0.993 101.0 64.5-132.6 124.2 6.5 -4.7 6.3 48 48 A G >> + 0 0 0 -2,-0.4 3,-2.6 -31,-0.3 4,-1.1 0.288 50.5 128.9 147.7 -6.1 3.8 -7.1 7.5 49 49 A F G >4 S+ 0 0 121 1,-0.3 3,-1.4 2,-0.3 -2,-0.1 0.879 77.1 55.1 -42.8 -49.4 5.8 -10.3 8.2 50 50 A Q G 34 S+ 0 0 167 1,-0.3 -1,-0.3 2,-0.0 -3,-0.0 0.809 114.5 42.2 -56.8 -24.7 4.3 -10.6 11.7 51 51 A A G <4 S+ 0 0 29 -3,-2.6 2,-3.4 -35,-0.1 -1,-0.3 0.527 85.2 107.0 -95.1 -10.4 1.0 -10.4 9.7 52 52 A L << + 0 0 36 -3,-1.4 -1,-0.1 -4,-1.1 -3,-0.1 -0.369 43.3 165.8 -69.5 67.6 2.4 -12.8 7.1 53 53 A G S S- 0 0 69 -2,-3.4 -1,-0.2 2,-0.0 -4,-0.0 0.959 77.6 -3.4 -52.4 -57.0 0.2 -15.5 8.4 54 54 A D S S- 0 0 166 -3,-0.3 -2,-0.1 0, 0.0 3,-0.1 0.790 114.1 -80.3 -96.9 -85.1 0.7 -17.8 5.5 55 55 A A S S+ 0 0 61 -4,-0.1 2,-0.5 0, 0.0 -3,-0.1 0.363 116.1 47.0-149.9 -40.3 2.8 -15.9 3.0 56 56 A A + 0 0 32 1,-0.1 3,-0.2 -4,-0.0 -4,-0.1 -0.776 53.0 149.0-118.1 84.2 0.5 -13.5 1.1 57 57 A D + 0 0 36 -2,-0.5 2,-0.2 1,-0.2 -1,-0.1 0.113 66.6 59.4-101.6 21.1 -1.7 -11.7 3.6 58 58 A I + 0 0 4 35,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.601 50.3 125.9-149.1 81.4 -2.0 -8.5 1.4 59 59 A R S S+ 0 0 137 1,-0.2 -19,-3.0 -3,-0.2 2,-0.3 0.384 74.1 41.6-118.9 2.5 -3.5 -8.9 -2.0 60 60 A F E S-E 39 0B 52 -21,-0.3 34,-0.7 -3,-0.1 2,-0.5 -0.980 73.1-133.5-148.8 148.6 -6.2 -6.3 -1.8 61 61 A V E -Ef 38 94B 2 -23,-1.7 -23,-1.2 -2,-0.3 2,-0.7 -0.932 12.5-155.2-113.1 123.5 -6.4 -2.9 -0.4 62 62 A Y E +Ef 37 95B 37 32,-1.9 34,-0.6 -2,-0.5 -25,-0.2 -0.855 22.3 163.0-106.8 108.4 -9.2 -1.7 1.9 63 63 A T E -E 36 0B 3 -27,-1.0 -27,-4.1 -2,-0.7 8,-0.1 -0.827 44.0 -90.3-115.2 158.0 -9.9 2.0 2.0 64 64 A P E -E 35 0B 37 0, 0.0 -29,-0.5 0, 0.0 7,-0.2 -0.391 24.6-140.8 -70.2 142.0 -13.0 3.9 3.2 65 65 A A + 0 0 27 -31,-3.3 -30,-0.3 6,-0.1 -31,-0.2 -0.213 59.1 124.6 -95.8 39.6 -15.7 4.6 0.6 66 66 A M - 0 0 108 -32,-0.4 5,-0.3 1,-0.1 -3,-0.0 -0.433 65.0-126.2 -95.4 171.6 -16.5 8.1 2.0 67 67 A E S S+ 0 0 189 1,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.952 110.6 36.7 -81.1 -57.0 -16.5 11.5 0.2 68 68 A S S S+ 0 0 95 2,-0.1 -1,-0.2 -67,-0.1 2,-0.1 0.288 103.9 104.1 -79.4 11.5 -14.2 13.5 2.5 69 69 A V S S- 0 0 35 -68,-0.1 2,-0.3 1,-0.0 -67,-0.1 -0.426 75.6-126.7 -90.1 167.4 -12.1 10.3 2.9 70 70 A a + 0 0 8 1,-0.1 28,-1.3 -2,-0.1 29,-0.3 -0.462 44.6 158.0-113.1 58.6 -8.8 9.4 1.3 71 71 A G - 0 0 11 -2,-0.3 28,-0.2 -5,-0.3 -1,-0.1 0.873 55.9 -77.6 -44.4-109.7 -9.6 6.1 -0.3 72 72 A Y - 0 0 29 25,-0.2 2,-1.2 -8,-0.1 -1,-0.1 -0.405 32.2-157.4-167.2 82.8 -7.2 5.3 -3.1 73 73 A F - 0 0 185 2,-0.1 2,-0.7 1,-0.1 24,-0.0 -0.503 23.1-169.7 -69.0 97.4 -7.6 6.9 -6.5 74 74 A H + 0 0 22 -2,-1.2 2,-0.5 1,-0.0 -1,-0.1 -0.838 17.4 176.8 -99.5 117.2 -5.8 4.3 -8.6 75 75 A R + 0 0 209 -2,-0.7 2,-0.3 2,-0.0 -2,-0.1 -0.661 43.7 101.8-117.3 73.2 -5.1 5.2 -12.2 76 76 A S + 0 0 39 -2,-0.5 -2,-0.0 1,-0.1 -53,-0.0 -0.825 32.1 173.5-159.5 114.4 -3.1 2.3 -13.5 77 77 A H + 0 0 179 -2,-0.3 2,-0.7 -53,-0.1 -1,-0.1 0.432 51.1 114.6 -97.7 -4.1 -4.3 -0.6 -15.7 78 78 A N > - 0 0 82 1,-0.2 3,-1.1 2,-0.1 -55,-0.6 -0.595 46.3-169.8 -74.6 112.2 -0.8 -2.0 -16.2 79 79 A R T 3 S+ 0 0 167 -2,-0.7 -1,-0.2 1,-0.2 -57,-0.1 0.520 88.8 54.7 -78.4 -4.9 -0.7 -5.4 -14.5 80 80 A S T 3 S+ 0 0 87 2,-0.1 2,-0.7 -57,-0.0 -1,-0.2 0.322 82.5 104.6-108.6 4.9 3.1 -5.4 -15.0 81 81 A E < - 0 0 39 -3,-1.1 -58,-0.5 -58,-0.2 -60,-0.0 -0.792 63.1-145.3 -94.2 116.4 3.6 -2.0 -13.2 82 82 A E - 0 0 48 -2,-0.7 2,-0.3 -60,-0.2 -60,-0.2 -0.104 20.0-172.2 -68.3 169.8 5.1 -2.5 -9.7 83 83 A F - 0 0 16 21,-0.2 -62,-0.5 22,-0.1 2,-0.4 -0.956 24.1-117.0-156.6 174.7 4.2 -0.2 -6.8 84 84 A L E - C 0 103A 0 19,-1.5 19,-0.6 -2,-0.3 2,-0.4 -0.982 26.5-171.5-124.0 127.3 4.9 0.8 -3.2 85 85 A I E -BC 19 102A 2 -66,-1.2 -66,-2.2 -2,-0.4 2,-0.6 -0.841 11.9-177.7-131.6 108.8 2.3 0.4 -0.4 86 86 A A E +B 18 0A 0 15,-2.6 -68,-0.3 -2,-0.4 2,-0.3 -0.840 35.0 132.7 -95.4 119.7 2.5 1.7 3.2 87 87 A G - 0 0 1 -70,-4.0 9,-0.2 -2,-0.6 2,-0.1 -0.905 46.6-129.3-170.9 141.1 -0.6 0.6 5.1 88 88 A K - 0 0 113 7,-0.3 7,-1.8 -72,-0.3 2,-0.3 -0.400 34.5-106.5 -86.1 165.5 -1.8 -1.0 8.4 89 89 A L E -G 94 0B 36 5,-0.2 2,-0.5 -2,-0.1 5,-0.3 -0.713 16.9-153.4 -97.8 147.5 -4.2 -4.0 8.7 90 90 A Q E > S-G 93 0B 90 3,-4.3 3,-2.3 -2,-0.3 -28,-0.0 -0.948 77.1 -43.0-119.9 108.9 -7.9 -4.1 9.7 91 91 A D T 3 S- 0 0 171 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.774 129.3 -37.0 41.8 28.8 -9.0 -7.4 11.2 92 92 A G T 3 S+ 0 0 41 1,-0.4 -1,-0.3 -34,-0.0 2,-0.2 -0.282 120.1 99.9 125.2 -54.3 -7.0 -8.9 8.4 93 93 A L E < S- G 0 90B 63 -3,-2.3 -3,-4.3 -4,-0.1 -1,-0.4 -0.458 72.4-113.7 -75.3 145.4 -7.6 -6.6 5.4 94 94 A L E -fG 61 89B 2 -34,-0.7 -32,-1.9 -5,-0.3 2,-0.4 -0.333 28.4-156.2 -70.9 155.3 -5.1 -3.9 4.4 95 95 A H E +f 62 0B 32 -7,-1.8 2,-0.3 -34,-0.2 -7,-0.3 -0.998 17.1 164.2-138.0 139.9 -6.0 -0.3 4.7 96 96 A I - 0 0 5 -34,-0.6 2,-0.3 -2,-0.4 -9,-0.1 -0.966 13.0-168.9-150.0 165.7 -4.7 2.7 2.8 97 97 A T > - 0 0 44 -2,-0.3 3,-2.3 -34,-0.1 -26,-0.2 -0.985 41.5-106.8-154.2 158.5 -5.3 6.4 2.0 98 98 A T T 3 S+ 0 0 60 -28,-1.3 4,-0.1 -2,-0.3 -27,-0.1 0.442 121.8 56.4 -69.2 5.3 -4.0 9.1 -0.4 99 99 A b T 3 S+ 0 0 46 -29,-0.3 2,-0.3 -28,-0.2 -1,-0.3 0.120 93.9 85.6-120.6 19.0 -2.4 10.6 2.8 100 100 A S S < S- 0 0 29 -3,-2.3 2,-1.0 -30,-0.1 -13,-0.1 -0.806 101.1 -87.1-114.2 153.6 -0.5 7.4 3.5 101 101 A F S S+ 0 0 31 -2,-0.3 -15,-2.6 -94,-0.1 2,-0.3 -0.491 72.4 141.4 -66.3 102.9 2.9 6.6 1.9 102 102 A V E +C 85 0A 29 -2,-1.0 -17,-0.2 -17,-0.2 -2,-0.1 -0.804 15.7 116.1-149.9 104.6 1.8 4.9 -1.4 103 103 A A E -C 84 0A 36 -19,-0.6 -19,-1.5 -2,-0.3 2,-0.2 -0.963 63.9 -52.5-158.0 171.9 3.5 5.4 -4.8 104 104 A P > - 0 0 43 0, 0.0 3,-2.9 0, 0.0 4,-0.3 -0.313 32.7-148.1 -55.1 121.7 5.4 3.6 -7.7 105 105 A W G > S+ 0 0 16 1,-0.3 3,-4.4 2,-0.2 -22,-0.1 0.952 101.8 65.3 -47.2 -53.9 8.5 1.7 -6.5 106 106 A N G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -24,-0.1 4,-0.1 0.617 97.2 54.7 -45.1 -18.0 9.8 2.7 -9.9 107 107 A S G < S+ 0 0 96 -3,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.414 94.4 98.6 -97.7 -1.8 9.7 6.3 -8.6 108 108 A L S < S- 0 0 22 -3,-4.4 5,-0.1 -4,-0.3 2,-0.1 -0.455 82.8 -92.9 -87.1 161.3 11.8 5.5 -5.6 109 109 A S > - 0 0 58 -2,-0.2 4,-1.1 1,-0.1 5,-0.1 -0.393 26.7-127.6 -69.2 146.8 15.4 5.9 -4.9 110 110 A L H > S+ 0 0 143 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.798 116.9 43.1 -63.7 -29.3 17.6 3.0 -5.6 111 111 A A H > S+ 0 0 54 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.813 117.1 44.4 -84.3 -36.6 18.8 3.4 -2.1 112 112 A Q H > S+ 0 0 42 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.530 108.0 61.3 -87.8 -1.8 15.4 3.9 -0.8 113 113 A R H X S+ 0 0 66 -4,-1.1 4,-1.0 2,-0.2 -2,-0.2 0.878 113.8 33.7 -86.3 -42.1 14.4 1.1 -3.0 114 114 A R H >X>S+ 0 0 110 -4,-1.3 4,-2.4 2,-0.2 3,-0.9 0.949 113.5 62.3 -73.3 -47.3 16.8 -1.1 -1.0 115 115 A G H 3X>S+ 0 0 0 -4,-3.7 5,-3.2 1,-0.3 4,-1.1 0.848 108.0 42.1 -44.4 -42.7 16.0 0.9 2.1 116 116 A F H 3<5S+ 0 0 0 -4,-1.1 -1,-0.3 3,-0.2 -2,-0.2 0.779 115.6 50.5 -79.2 -21.6 12.4 -0.2 1.9 117 117 A T H <<5S- 0 0 82 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.660 141.1 -8.4 -84.1 -20.4 13.5 -3.7 1.0 118 118 A K H <5S+ 0 0 135 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.538 131.5 44.2-141.1 -37.7 15.8 -3.9 3.9 119 119 A T T X