==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METALLOPROTEINASE INHIBITOR 10-JUN-98 1BHU . COMPND 2 MOLECULE: METALLOPROTEINASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES NIGRESCENS; . AUTHOR S.TATE,A.OHNO,S.S.SEERAM,K.HIRAGA,K.ODA,M.KAINOSHO . 102 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5831.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 56 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 0 0.0 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 . 21 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 2 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 40 0, 0.0 2,-2.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.7 68.2 -10.1 -3.2 2 2 A P + 0 0 74 0, 0.0 87,-0.0 0, 0.0 45,-0.0 -0.364 360.0 127.0 -70.8 67.3 66.9 -7.6 -5.9 3 3 A S + 0 0 54 -2,-2.8 44,-0.1 86,-0.3 86,-0.0 0.590 37.3 103.3-102.7 -11.0 63.2 -8.2 -5.1 4 4 A a S S- 0 0 6 -3,-0.4 44,-0.1 42,-0.3 42,-0.1 -0.190 70.4-125.4 -65.0 166.6 62.2 -4.5 -4.5 5 5 A P - 0 0 68 0, 0.0 43,-0.3 0, 0.0 2,-0.2 0.738 37.8 -98.8 -81.3-111.1 60.2 -2.7 -7.3 6 6 A A S S+ 0 0 60 41,-0.2 3,-0.1 81,-0.1 43,-0.1 -0.851 79.0 76.7-176.6 139.1 61.6 0.7 -8.6 7 7 A G S S+ 0 0 45 -2,-0.2 2,-0.3 1,-0.2 41,-0.0 -0.056 97.8 11.9 146.3 -39.4 61.1 4.5 -8.1 8 8 A S S S- 0 0 31 17,-0.1 2,-2.6 42,-0.1 39,-0.3 -0.927 97.5 -76.1-152.3 172.3 62.8 5.4 -4.7 9 9 A L B -A 24 0A 1 15,-2.7 2,-1.5 -2,-0.3 15,-0.7 -0.423 56.5-178.4 -76.5 74.3 65.1 3.6 -2.3 10 10 A a - 0 0 6 -2,-2.6 13,-0.3 37,-0.4 37,-0.1 -0.567 6.5-167.3 -78.8 93.5 62.4 1.4 -0.9 11 11 A T + 0 0 37 -2,-1.5 11,-4.8 35,-0.2 2,-0.3 -0.458 13.0 170.2 -77.2 150.3 64.2 -0.7 1.8 12 12 A Y B -B 45 0B 3 33,-1.2 33,-1.1 9,-0.3 2,-0.5 -0.993 39.3-138.0-160.2 154.0 62.4 -3.7 3.2 13 13 A S B S+c 19 0C 41 5,-0.8 7,-0.6 -2,-0.3 8,-0.1 -0.544 91.0 54.8-112.5 67.0 62.8 -6.8 5.4 14 14 A G S S- 0 0 25 -2,-0.5 5,-0.3 5,-0.2 -1,-0.2 0.298 104.0 -97.9 177.8 32.4 60.9 -9.5 3.4 15 15 A T S S+ 0 0 81 -3,-0.3 4,-0.1 26,-0.2 -2,-0.1 0.879 108.9 50.6 39.7 105.0 62.1 -9.9 -0.3 16 16 A G S S- 0 0 30 -15,-0.3 -12,-0.2 2,-0.1 -1,-0.1 0.652 132.0 -72.9 113.4 28.2 59.8 -7.9 -2.6 17 17 A L S S+ 0 0 62 -5,-0.1 -4,-0.1 1,-0.1 -2,-0.1 0.753 109.3 117.5 58.6 21.1 59.8 -4.5 -0.7 18 18 A S + 0 0 67 -6,-0.1 -5,-0.8 2,-0.1 -3,-0.2 -0.019 45.3 42.6 -98.6-155.0 57.6 -6.4 1.8 19 19 A G B S+c 13 0C 47 -5,-0.3 2,-2.9 1,-0.2 -5,-0.2 -0.236 131.5 8.1 51.2-132.3 58.2 -7.2 5.6 20 20 A A S S- 0 0 58 -7,-0.6 2,-0.5 23,-0.1 -1,-0.2 -0.389 94.0-177.1 -74.0 71.2 59.7 -4.1 7.2 21 21 A R + 0 0 170 -2,-2.9 -9,-0.3 -9,-0.3 2,-0.3 -0.606 8.3 166.7 -79.0 124.2 59.1 -2.1 4.0 22 22 A T - 0 0 72 -11,-4.8 2,-0.4 -2,-0.5 -2,-0.0 -0.835 22.4-139.1-128.6 165.7 60.4 1.5 4.0 23 23 A V + 0 0 77 -13,-0.3 -13,-0.3 -2,-0.3 5,-0.1 -0.978 16.3 179.1-133.5 133.6 60.9 4.1 1.2 24 24 A I B -A 9 0A 17 -15,-0.7 -15,-2.7 -2,-0.4 2,-2.6 -0.729 8.2-169.0-133.1 89.9 63.6 6.7 0.6 25 25 A P S S- 0 0 67 0, 0.0 -17,-0.1 0, 0.0 23,-0.1 -0.452 74.1 -70.3 -72.6 74.0 63.1 8.7 -2.6 26 26 A A S S+ 0 0 35 -2,-2.6 -2,-0.0 1,-0.1 22,-0.0 0.901 126.7 79.1 35.1 68.9 66.7 10.1 -2.4 27 27 A S S > S+ 0 0 52 -3,-0.0 3,-0.5 75,-0.0 4,-0.5 0.224 81.0 48.6-164.0 -52.9 65.8 12.3 0.7 28 28 A D T >> S+ 0 0 84 1,-0.3 4,-1.2 2,-0.2 3,-1.0 0.854 110.7 59.8 -69.9 -26.0 65.8 10.3 4.0 29 29 A M H 3> S+ 0 0 13 1,-0.3 4,-4.2 2,-0.2 6,-0.3 0.789 93.1 63.5 -69.3 -25.1 69.1 9.1 2.7 30 30 A E H <4 S+ 0 0 116 -3,-0.5 -1,-0.3 70,-0.2 -2,-0.2 0.693 101.5 52.4 -73.6 -12.8 70.2 12.8 2.7 31 31 A K H <4 S+ 0 0 179 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.818 120.8 31.2 -88.8 -33.6 69.7 12.5 6.4 32 32 A A H < S- 0 0 63 -4,-1.2 2,-0.6 1,-0.2 -2,-0.2 0.936 96.1-159.6 -85.3 -58.3 71.9 9.4 6.5 33 33 A G S < S- 0 0 2 -4,-4.2 67,-1.1 -5,-0.1 69,-0.5 -0.804 71.0 -0.6 120.5 -90.1 74.2 10.4 3.6 34 34 A T S S- 0 0 28 -2,-0.6 3,-0.4 65,-0.2 65,-0.3 -0.007 88.1-119.9-120.3 24.4 76.0 7.5 2.1 35 35 A D - 0 0 34 -6,-0.3 2,-2.8 62,-0.3 63,-1.0 0.912 40.7-160.6 32.8 48.4 74.5 4.9 4.5 36 36 A G E +D 97 0D 15 61,-0.3 35,-0.2 -4,-0.2 -1,-0.2 -0.340 51.9 68.5 -62.5 73.4 78.2 4.5 5.3 37 37 A V E S-D 96 0D 33 -2,-2.8 59,-2.9 59,-1.3 2,-0.9 -0.826 99.1 -41.4-162.6-158.3 78.0 1.1 6.9 38 38 A K - 0 0 102 57,-0.3 57,-0.3 -2,-0.2 33,-0.1 -0.731 50.1-164.1 -88.0 106.4 77.3 -2.6 6.2 39 39 A L - 0 0 23 -2,-0.9 55,-0.4 55,-0.2 53,-0.2 -0.771 11.3-169.6 -95.5 103.4 74.2 -2.8 3.8 40 40 A P - 0 0 28 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.149 15.4-161.0 -72.0-166.4 72.8 -6.4 3.9 41 41 A A > + 0 0 0 50,-0.2 3,-2.4 1,-0.1 2,-0.5 0.447 56.8 102.6-148.6 -42.1 70.2 -7.9 1.5 42 42 A S T 3 S- 0 0 96 1,-0.3 -1,-0.1 2,-0.2 51,-0.0 -0.338 119.7 -15.7 -54.6 102.8 68.6 -11.1 3.0 43 43 A A T 3 S+ 0 0 43 -2,-0.5 -1,-0.3 -3,-0.1 -23,-0.1 0.937 136.6 76.8 62.4 44.6 65.3 -9.5 4.1 44 44 A R < + 0 0 161 -3,-2.4 -31,-0.2 -43,-0.1 48,-0.2 -0.049 59.7 111.4-178.0 59.2 66.9 -6.0 3.7 45 45 A S B -B 12 0B 1 -33,-1.1 -33,-1.2 -4,-0.1 2,-0.3 -0.148 39.5-167.2-116.1-145.6 67.2 -4.8 0.0 46 46 A F E -G 89 0E 4 43,-1.2 43,-4.0 -35,-0.2 2,-0.3 -0.966 27.1 -83.2 171.5 173.8 65.4 -1.9 -1.8 47 47 A A E -G 88 0E 0 41,-0.3 2,-1.2 -39,-0.3 -37,-0.4 -0.773 35.3-131.8-100.2 143.5 64.5 -0.2 -5.1 48 48 A N + 0 0 0 39,-3.9 2,-2.0 -2,-0.3 39,-0.3 -0.568 31.5 169.0 -96.5 76.5 66.9 2.2 -6.6 49 49 A G S S+ 0 0 15 -2,-1.2 2,-0.3 37,-0.2 -40,-0.2 -0.147 73.9 15.7 -78.3 48.1 64.8 5.3 -7.5 50 50 A T S S- 0 0 30 -2,-2.0 37,-0.2 35,-0.3 31,-0.2 -0.972 105.7 -71.8 174.1-168.4 68.1 7.1 -8.1 51 51 A H - 0 0 82 -2,-0.3 2,-0.4 29,-0.2 3,-0.2 -0.019 51.3-164.4 -99.3 30.1 71.9 6.5 -8.6 52 52 A F - 0 0 2 1,-0.2 47,-0.3 33,-0.1 48,-0.2 0.301 28.3-124.7 -16.9 62.6 72.3 5.5 -4.9 53 53 A T E -E 99 0D 24 46,-0.6 2,-1.2 -2,-0.4 46,-0.8 0.272 31.1-159.4 -18.6 82.7 76.2 5.9 -5.1 54 54 A L E +EF 98 78D 14 24,-1.0 24,-2.8 25,-0.3 2,-0.8 -0.635 15.9 179.4 -84.9 99.5 76.7 2.3 -3.9 55 55 A R E +E 97 0D 121 -2,-1.2 42,-3.6 42,-1.0 2,-0.2 -0.842 24.7 157.2 -96.6 104.7 80.3 2.2 -2.6 56 56 A Y E +E 96 0D 83 -2,-0.8 19,-4.2 20,-0.5 20,-0.8 -0.650 23.1 154.1-126.5-175.3 80.7 -1.4 -1.3 57 57 A G E -E 95 0D 1 38,-1.1 38,-2.4 17,-0.2 2,-0.3 -0.912 62.7 -49.8 171.7 174.2 83.1 -4.3 -0.5 58 58 A P E -E 94 0D 85 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.479 66.3-115.3 -66.0 124.1 83.1 -7.4 1.8 59 59 A A + 0 0 25 34,-1.2 13,-0.3 -2,-0.3 12,-0.1 -0.454 55.5 147.7 -65.8 123.3 82.1 -6.1 5.2 60 60 A R + 0 0 223 11,-1.3 12,-0.2 -2,-0.3 -1,-0.1 -0.069 41.5 88.7-147.7 39.3 85.0 -6.5 7.7 61 61 A K + 0 0 106 10,-0.5 10,-0.4 1,-0.1 11,-0.1 -0.471 29.5 143.1-138.7 68.0 84.8 -3.6 10.2 62 62 A V + 0 0 117 1,-0.2 2,-2.3 9,-0.1 -1,-0.1 0.745 58.2 85.7 -79.0 -20.1 82.6 -4.6 13.2 63 63 A T + 0 0 114 -3,-0.1 -1,-0.2 3,-0.0 2,-0.1 -0.427 65.7 163.5 -79.5 71.0 84.9 -2.7 15.6 64 64 A b - 0 0 43 -2,-2.3 5,-0.1 1,-0.1 -2,-0.1 -0.361 47.0-122.6 -84.4 169.6 83.2 0.7 15.0 65 65 A V S S- 0 0 135 -2,-0.1 -1,-0.1 3,-0.1 4,-0.0 0.926 92.8 -31.7 -79.1 -44.7 83.6 3.8 17.3 66 66 A R S S- 0 0 205 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.113 110.4 -59.4-165.7 32.5 79.8 4.2 18.1 67 67 A F S S+ 0 0 164 1,-0.0 2,-3.3 0, 0.0 -3,-0.0 -0.292 107.5 104.0 113.3 -44.9 77.9 2.9 14.9 68 68 A P + 0 0 81 0, 0.0 2,-0.4 0, 0.0 -31,-0.1 -0.189 50.2 133.0 -67.5 58.0 79.3 5.3 12.2 69 69 A b - 0 0 15 -2,-3.3 -31,-0.2 1,-0.1 -5,-0.1 -0.884 59.6-141.5-108.2 140.4 81.6 2.7 10.7 70 70 A Y - 0 0 149 -2,-0.4 -33,-0.3 2,-0.2 4,-0.2 0.336 30.6-141.4 -80.2 14.8 81.7 2.1 6.9 71 71 A Q S S+ 0 0 17 -10,-0.4 -11,-1.3 -35,-0.2 -10,-0.5 0.689 73.1 35.0 34.3 25.3 82.0 -1.6 7.8 72 72 A Y S S- 0 0 27 -13,-0.3 -2,-0.2 -12,-0.2 -13,-0.1 -0.914 80.7-110.4-169.2-161.3 84.5 -2.0 5.0 73 73 A A - 0 0 83 -2,-0.3 -17,-0.1 -15,-0.2 -2,-0.1 0.118 63.5 -97.7-141.3 21.9 87.4 -0.5 2.9 74 74 A T - 0 0 83 -4,-0.2 -17,-0.2 -19,-0.1 3,-0.1 0.837 35.7-171.6 61.9 114.6 85.6 0.2 -0.5 75 75 A V - 0 0 95 -19,-4.2 -18,-0.2 1,-0.2 -1,-0.1 0.422 69.9 -43.2-113.1 -1.4 86.2 -2.5 -3.3 76 76 A G - 0 0 38 -20,-0.8 -20,-0.5 2,-0.0 -1,-0.2 0.012 60.8-124.0 138.6 111.1 84.6 -0.5 -6.2 77 77 A K - 0 0 131 -22,-0.2 2,-0.5 -3,-0.1 -22,-0.3 -0.408 7.2-155.8 -77.1 158.4 81.3 1.5 -6.2 78 78 A V B > -F 54 0D 43 -24,-2.8 -24,-1.0 1,-0.2 4,-0.5 -0.847 15.8-175.3-130.8 87.4 78.4 0.9 -8.6 79 79 A A T 4 + 0 0 23 -2,-0.5 2,-1.7 -26,-0.2 -25,-0.3 0.972 68.5 49.5 -50.8 -77.9 76.7 4.3 -8.7 80 80 A P T >4 S- 0 0 50 0, 0.0 3,-3.8 0, 0.0 6,-0.2 -0.467 137.2 -63.4 -70.5 83.5 73.5 3.8 -10.8 81 81 A G T 34 S- 0 0 4 -2,-1.7 3,-0.4 1,-0.3 -2,-0.2 0.769 94.5 -68.1 45.3 23.2 71.9 0.7 -9.2 82 82 A A T 3< S+ 0 0 41 -4,-0.5 -1,-0.3 1,-0.2 -3,-0.1 0.756 130.4 6.3 69.1 23.9 75.2 -1.0 -10.5 83 83 A Q S < S+ 0 0 175 -3,-3.8 2,-0.4 -5,-0.1 -1,-0.2 -0.272 136.1 27.4 169.6 -66.5 74.0 -0.5 -14.1 84 84 A L S S- 0 0 81 -3,-0.4 2,-1.3 -5,-0.1 -34,-0.1 -0.954 71.2-130.8-120.7 135.7 70.8 1.5 -14.2 85 85 A R S S+ 0 0 172 -2,-0.4 -35,-0.3 1,-0.2 -4,-0.2 -0.039 94.3 61.2 -77.7 41.5 69.8 4.2 -11.6 86 86 A S S S+ 0 0 60 -2,-1.3 -37,-0.2 -6,-0.2 -1,-0.2 -0.432 79.9 77.2-164.6 81.4 66.3 2.7 -11.2 87 87 A L S S- 0 0 30 -39,-0.3 -39,-3.9 -37,-0.2 2,-0.5 -0.989 82.6 -52.2-171.3 179.0 65.8 -0.9 -10.1 88 88 A P E -G 47 0E 35 0, 0.0 -41,-0.3 0, 0.0 -82,-0.1 -0.529 56.2-143.2 -70.3 114.4 65.8 -3.5 -7.2 89 89 A S E -G 46 0E 0 -43,-4.0 -43,-1.2 -2,-0.5 -86,-0.3 -0.661 17.8-170.3 -87.2 135.7 69.1 -3.2 -5.3 90 90 A P + 0 0 55 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.039 20.9 150.3-100.3-157.7 70.9 -6.3 -3.9 91 91 A G - 0 0 28 -2,-0.1 -50,-0.2 -35,-0.0 4,-0.1 -0.596 19.9-166.1 165.4 -95.0 73.9 -6.8 -1.6 92 92 A A S S- 0 0 58 2,-0.2 3,-0.1 -48,-0.2 -53,-0.1 0.880 78.7 -15.6 77.9 100.3 74.2 -9.9 0.7 93 93 A T S S+ 0 0 119 1,-0.2 -34,-1.2 -35,-0.1 2,-0.4 0.719 109.6 125.1 51.1 19.9 76.8 -9.7 3.6 94 94 A V E - E 0 58D 18 -55,-0.4 -55,-0.2 -36,-0.2 -2,-0.2 -0.855 59.3-133.7-109.8 142.1 78.3 -6.8 1.7 95 95 A T E - E 0 57D 0 -38,-2.4 -38,-1.1 -2,-0.4 2,-0.3 -0.511 26.5-170.6 -85.9 161.2 78.9 -3.4 3.2 96 96 A V E -DE 37 56D 4 -59,-2.9 2,-1.7 -61,-0.3 -59,-1.3 -0.918 32.1-143.2-159.2 132.3 77.8 -0.4 1.2 97 97 A G E -DE 36 55D 0 -42,-3.6 -42,-1.0 -2,-0.3 2,-0.6 -0.613 35.3-163.4 -89.6 76.6 78.2 3.4 1.3 98 98 A Q E - E 0 54D 1 -2,-1.7 2,-0.6 -63,-1.0 -45,-0.2 -0.477 9.2-175.6 -65.7 113.2 74.6 4.0 0.1 99 99 A D E + E 0 53D 20 -46,-0.8 -46,-0.6 -2,-0.6 -65,-0.2 -0.920 19.3 172.2-119.7 125.7 74.4 7.5 -1.1 100 100 A L S S- 0 0 2 -67,-1.1 -70,-0.2 -2,-0.6 -71,-0.1 -0.365 85.2 -50.0-119.9 50.1 71.1 9.1 -2.3 101 101 A G 0 0 53 1,-0.2 -67,-0.1 -72,-0.1 -71,-0.1 -0.061 360.0 360.0 106.5 -32.2 72.1 12.7 -2.7 102 102 A D 0 0 100 -69,-0.5 -72,-0.2 -4,-0.1 -1,-0.2 0.940 360.0 360.0 46.0 360.0 73.6 12.9 0.9