==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-11 4A38 . COMPND 2 MOLECULE: METALLO-CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.OTERO,M.RODRIGUEZ DE LA VEGA,S.M.TANCO,J.LORENZO,F.X.AVILE . 750 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 53 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 2 0 0 0 4 0 1 3 2 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 2 0 2 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 . 2 2 10 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 2 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 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 M 0 0 61 0, 0.0 2,-0.4 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 135.6 -19.4 19.7 29.0 2 2 A Q E -A 44 0A 122 42,-2.1 42,-2.7 2,-0.0 2,-0.4 -0.991 360.0-161.8-143.0 132.2 -20.5 16.2 27.9 3 3 A I E +A 43 0A 22 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.942 19.3 164.2-116.3 132.0 -18.6 13.4 26.0 4 4 A R E -A 42 0A 89 38,-2.1 38,-2.8 -2,-0.4 7,-0.1 -0.958 32.9-171.7-145.5 163.0 -20.2 10.5 24.2 5 5 A A + 0 0 25 -2,-0.3 2,-2.2 36,-0.2 5,-0.2 0.037 42.7 132.8-140.6 23.4 -19.6 7.7 21.7 6 6 A D + 0 0 121 3,-0.1 2,-0.3 5,-0.1 35,-0.1 -0.385 56.6 74.5 -80.0 63.5 -23.1 6.4 21.3 7 7 A F S > S- 0 0 46 -2,-2.2 3,-2.7 206,-0.1 0, 0.0 -0.964 94.5 -43.3-160.7 171.9 -23.0 6.3 17.4 8 8 A D T 3 S- 0 0 31 -2,-0.3 206,-0.2 1,-0.3 205,-0.2 -0.206 124.8 -2.7 -49.6 121.3 -21.6 4.5 14.4 9 9 A S T 3 S+ 0 0 1 204,-2.9 -1,-0.3 1,-0.2 205,-0.2 0.507 95.2 154.8 70.8 11.8 -17.9 3.6 15.0 10 10 A G < + 0 0 6 -3,-2.7 2,-0.3 203,-0.4 -1,-0.2 -0.372 14.8 171.7 -69.8 145.6 -17.9 5.3 18.3 11 11 A N B +B 40 0A 3 29,-2.6 29,-2.4 -7,-0.1 2,-0.2 -0.825 19.6 103.1-159.7 115.8 -15.4 4.2 20.9 12 12 A I - 0 0 14 -2,-0.3 2,-0.5 27,-0.2 15,-0.2 -0.860 43.6-141.5 176.9 152.0 -14.5 5.7 24.3 13 13 A Q E -F 26 0B 38 13,-2.1 13,-2.4 -2,-0.2 2,-0.5 -0.990 26.0-136.7-126.5 118.3 -15.0 5.3 28.1 14 14 A V E +F 25 0B 46 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.659 28.7 168.6 -80.8 123.4 -15.4 8.5 30.0 15 15 A I E S- 0 0 5 9,-1.8 2,-0.3 -2,-0.5 10,-0.2 0.887 70.6 -19.0 -93.7 -61.9 -13.5 8.6 33.3 16 16 A D E +F 24 0B 41 8,-1.5 8,-2.9 581,-0.1 -1,-0.2 -0.876 52.7 165.4-156.9 116.9 -13.7 12.3 34.3 17 17 A A + 0 0 20 -2,-0.3 6,-0.1 6,-0.2 500,-0.0 -0.162 52.7 103.6-122.5 35.5 -14.6 15.3 32.1 18 18 A S S S+ 0 0 94 1,-0.2 -1,-0.1 4,-0.2 5,-0.1 0.800 77.2 52.8 -86.4 -33.3 -15.3 17.8 34.9 19 19 A D > - 0 0 79 3,-0.3 3,-3.0 1,-0.1 -1,-0.2 -0.889 69.7-157.6-109.9 104.6 -12.0 19.7 34.6 20 20 A P G > S+ 0 0 35 0, 0.0 33,-2.6 0, 0.0 3,-0.6 0.778 94.8 55.0 -47.4 -34.2 -11.3 20.9 31.0 21 21 A R G 3 S+ 0 0 50 1,-0.2 31,-0.1 31,-0.2 33,-0.0 0.495 117.7 35.0 -81.6 -2.6 -7.6 21.1 31.7 22 22 A R G < S+ 0 0 113 -3,-3.0 2,-0.4 2,-0.0 -3,-0.3 -0.351 73.6 171.1-148.9 60.7 -7.5 17.4 32.8 23 23 A I E < - g 0 54B 0 30,-2.7 32,-1.5 -3,-0.6 2,-0.5 -0.621 17.2-157.0 -78.7 124.5 -10.0 15.4 30.8 24 24 A R E +Fg 16 55B 49 -8,-2.9 -9,-1.8 -2,-0.4 -8,-1.5 -0.896 20.2 160.8-107.5 131.2 -9.6 11.6 31.5 25 25 A L E -Fg 14 56B 0 30,-2.4 32,-2.8 -2,-0.5 33,-0.4 -0.956 22.4-150.6-144.8 159.9 -10.7 9.0 29.0 26 26 A A E -F 13 0B 0 -13,-2.4 -13,-2.1 -2,-0.3 2,-0.3 -0.990 22.1-120.0-134.5 143.7 -10.1 5.3 28.2 27 27 A I - 0 0 0 -2,-0.4 -15,-0.1 -15,-0.2 12,-0.1 -0.585 31.8-122.5 -83.3 139.6 -10.2 3.4 25.0 28 28 A R - 0 0 31 -2,-0.3 9,-0.3 10,-0.3 3,-0.1 -0.689 21.2-122.5 -87.3 135.5 -12.7 0.5 24.9 29 29 A P - 0 0 17 0, 0.0 7,-0.2 0, 0.0 5,-0.2 -0.339 44.1 -82.1 -69.3 156.0 -11.5 -3.1 24.1 30 30 A D > - 0 0 4 5,-2.7 3,-1.0 3,-0.2 190,-0.1 -0.139 47.1 -98.5 -56.2 155.4 -13.1 -4.8 21.1 31 31 A L T 3 S+ 0 0 6 1,-0.3 190,-0.1 188,-0.2 -1,-0.1 0.853 114.9 4.8 -40.6 -54.4 -16.5 -6.5 21.5 32 32 A A T 3 S+ 0 0 12 188,-0.4 2,-0.3 370,-0.1 -1,-0.3 -0.061 124.4 60.1-129.8 33.4 -15.1 -10.0 22.0 33 33 A S S < S- 0 0 14 -3,-1.0 -3,-0.2 2,-0.2 191,-0.1 -0.983 78.3-117.3-154.1 158.7 -11.3 -9.6 22.0 34 34 A Q S S+ 0 0 123 -2,-0.3 2,-0.1 -5,-0.2 29,-0.0 0.563 75.0 116.0 -76.0 -7.7 -8.7 -7.7 24.1 35 35 A H + 0 0 43 -6,-0.1 -5,-2.7 27,-0.1 182,-0.3 -0.326 33.0 153.0 -66.8 142.3 -7.5 -5.5 21.2 36 36 A F + 0 0 17 -7,-0.2 27,-3.0 180,-0.1 28,-0.4 -0.963 20.3 119.0-164.6 151.3 -8.0 -1.8 21.2 37 37 A Q + 0 0 0 1,-0.5 2,-0.1 -9,-0.3 25,-0.1 -0.006 55.9 97.5-177.8 -43.4 -6.4 1.4 19.8 38 38 A W - 0 0 0 -10,-0.1 -1,-0.5 70,-0.1 2,-0.3 -0.421 50.1-179.7 -65.8 135.3 -9.1 3.0 17.7 39 39 A F + 0 0 0 -2,-0.1 70,-2.0 130,-0.1 71,-0.3 -0.978 12.2 169.8-137.5 150.0 -11.0 5.8 19.4 40 40 A H E +BC 11 108A 2 -29,-2.4 -29,-2.6 -2,-0.3 2,-0.3 -0.755 14.9 146.7-163.6 111.1 -13.9 8.0 18.3 41 41 A F E - C 0 107A 0 66,-1.8 66,-1.9 -2,-0.2 2,-0.4 -0.936 34.2-129.0-144.4 166.1 -16.0 10.4 20.5 42 42 A K E -AC 4 106A 55 -38,-2.8 -38,-2.1 -2,-0.3 2,-0.4 -0.932 12.9-154.5-119.1 143.5 -17.9 13.7 20.5 43 43 A V E -AC 3 105A 0 62,-3.0 62,-1.7 -2,-0.4 2,-0.3 -0.961 16.3-173.8-116.9 132.7 -17.5 16.6 23.0 44 44 A E E +A 2 0A 61 -42,-2.7 -42,-2.1 -2,-0.4 60,-0.2 -0.908 56.7 23.6-127.0 155.0 -20.4 19.0 23.5 45 45 A G S S+ 0 0 46 -2,-0.3 2,-0.2 -44,-0.2 59,-0.2 0.837 72.4 174.9 65.7 35.2 -20.9 22.2 25.5 46 46 A M - 0 0 11 57,-2.4 -1,-0.2 -3,-0.2 6,-0.0 -0.524 35.3-110.1 -75.9 141.0 -17.3 23.2 25.6 47 47 A A > - 0 0 45 -2,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.384 36.4-114.1 -66.9 144.4 -16.5 26.6 27.2 48 48 A P T 3 S+ 0 0 111 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 -0.396 93.2 17.0 -78.9 159.0 -15.3 29.2 24.7 49 49 A A T 3 S+ 0 0 88 51,-0.5 2,-0.4 1,-0.2 52,-0.1 0.854 100.7 123.6 48.3 41.6 -11.8 30.7 24.7 50 50 A T < - 0 0 49 -3,-0.6 2,-0.4 50,-0.3 -1,-0.2 -0.994 62.0-127.6-135.0 133.9 -10.7 27.7 26.9 51 51 A E - 0 0 108 -2,-0.4 2,-0.5 48,-0.2 48,-0.2 -0.636 21.5-159.6 -81.2 134.8 -7.9 25.2 26.5 52 52 A H E - H 0 98B 1 46,-2.0 46,-2.0 -2,-0.4 2,-0.6 -0.972 2.1-161.5-115.9 123.3 -9.1 21.6 26.8 53 53 A C E - H 0 97B 16 -33,-2.6 -30,-2.7 -2,-0.5 2,-0.3 -0.935 9.2-164.5-111.2 117.1 -6.5 19.0 27.6 54 54 A F E -gH 23 96B 1 42,-2.6 42,-1.5 -2,-0.6 2,-0.4 -0.725 7.4-170.7-101.6 148.9 -7.4 15.3 26.9 55 55 A T E -gH 24 95B 1 -32,-1.5 -30,-2.4 -2,-0.3 2,-1.2 -0.944 17.2-154.6-142.6 118.1 -5.7 12.1 28.0 56 56 A L E > -gH 25 94B 0 38,-2.4 38,-1.4 -2,-0.4 3,-1.3 -0.784 21.2-166.1 -87.6 99.2 -6.4 8.5 26.9 57 57 A V T 3 S+ 0 0 36 -32,-2.8 3,-0.4 -2,-1.2 -31,-0.2 0.741 77.6 45.8 -64.8 -26.6 -5.2 6.8 30.1 58 58 A N T > S+ 0 0 12 -33,-0.4 3,-2.0 1,-0.2 -1,-0.2 0.167 73.5 111.8-104.2 20.8 -4.9 3.2 28.9 59 59 A A G X S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.3 -1,-0.2 0.817 70.4 67.8 -59.0 -30.2 -3.2 4.0 25.6 60 60 A G G 3 S+ 0 0 37 -3,-0.4 -1,-0.3 1,-0.3 5,-0.2 0.715 101.8 45.0 -62.9 -21.0 -0.2 2.3 27.2 61 61 A Q G < S+ 0 0 114 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.208 86.6 124.9-107.5 12.6 -2.0 -1.0 27.0 62 62 A S S X S- 0 0 10 -3,-1.5 3,-1.0 -4,-0.1 -25,-0.2 -0.167 79.1 -97.8 -68.4 167.6 -3.4 -0.7 23.5 63 63 A A T 3 S+ 0 0 37 -27,-3.0 2,-0.1 1,-0.3 -26,-0.1 0.859 120.8 19.0 -52.9 -42.8 -2.8 -3.4 20.8 64 64 A Y T > S+ 0 0 75 -28,-0.4 3,-1.7 1,-0.1 -1,-0.3 -0.552 72.9 162.9-131.3 67.3 0.1 -1.4 19.3 65 65 A S G X S+ 0 0 42 -3,-1.0 3,-1.0 1,-0.3 4,-0.4 0.700 71.2 64.5 -62.1 -22.1 1.2 1.1 22.0 66 66 A H G > S+ 0 0 135 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.751 91.4 67.4 -74.3 -18.4 4.6 1.8 20.4 67 67 A A G < S+ 0 0 1 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.631 81.4 77.1 -74.3 -12.4 2.7 3.3 17.5 68 68 A W G X S+ 0 0 1 -3,-1.0 3,-2.3 -4,-0.3 -1,-0.2 0.867 70.5 97.5 -65.4 -36.3 1.5 6.2 19.7 69 69 A S T < S+ 0 0 68 -3,-0.7 3,-0.1 -4,-0.4 19,-0.1 -0.325 97.4 8.8 -57.8 125.4 4.8 7.9 19.5 70 70 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 17,-0.1 2,-0.3 0.303 98.0 132.1 87.0 -9.5 4.7 10.6 16.8 71 71 A Y < - 0 0 2 -3,-2.3 2,-0.5 -4,-0.1 -1,-0.3 -0.570 42.1-157.2 -81.7 137.5 1.0 10.2 16.3 72 72 A Q - 0 0 61 -2,-0.3 24,-0.1 266,-0.2 -3,-0.0 -0.962 20.9-124.3-115.1 124.6 -1.3 13.3 16.1 73 73 A A - 0 0 0 -2,-0.5 12,-2.1 12,-0.4 2,-0.3 -0.227 23.2-127.6 -63.0 158.4 -5.0 12.9 16.9 74 74 A V E -DE 84 108A 6 34,-1.5 34,-1.7 10,-0.2 2,-0.3 -0.847 27.5-178.5-110.7 145.9 -7.5 14.0 14.4 75 75 A A E -DE 83 107A 0 8,-2.9 8,-2.6 -2,-0.3 2,-0.3 -0.932 8.9-172.6-140.8 163.4 -10.5 16.3 15.1 76 76 A S E - E 0 106A 0 30,-1.9 30,-2.4 -2,-0.3 6,-0.1 -0.960 19.0-163.9-159.5 139.8 -13.5 17.9 13.3 77 77 A Y S S+ 0 0 39 4,-0.5 -1,-0.1 -2,-0.3 5,-0.1 0.838 100.8 23.4 -90.2 -39.0 -16.2 20.4 14.1 78 78 A D S S- 0 0 85 3,-0.3 4,-0.1 28,-0.1 -1,-0.1 0.376 103.8-116.1-107.8 -0.3 -18.6 19.6 11.2 79 79 A G S S+ 0 0 23 2,-0.3 3,-0.1 27,-0.1 -3,-0.0 0.648 103.6 76.4 73.3 13.7 -17.5 16.0 10.6 80 80 A E S S+ 0 0 150 1,-0.3 2,-0.6 31,-0.0 -1,-0.1 0.680 85.6 51.7-118.7 -47.4 -16.3 17.0 7.1 81 81 A R S S- 0 0 200 2,-0.0 -4,-0.5 0, 0.0 2,-0.4 -0.880 71.4-168.4 -99.0 117.1 -13.1 18.9 7.6 82 82 A W - 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