==== 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 4A39 . 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) . 28812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 62.9 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 . 103 13.7 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 . 5 0.7 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 . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 21.2 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 3 1 2 0 2 0 0 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 1 11 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 67 0, 0.0 2,-0.4 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 165.7 -21.5 20.0 26.9 2 2 A Q E -A 44 0A 149 42,-2.6 42,-2.7 2,-0.0 2,-0.4 -0.991 360.0-165.4-130.3 136.0 -22.8 16.6 25.7 3 3 A I E +A 43 0A 23 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.944 16.0 162.8-121.1 140.4 -20.8 13.8 24.1 4 4 A R E -A 42 0A 83 38,-1.9 38,-2.7 -2,-0.4 7,-0.1 -0.985 32.3-168.5-153.7 161.1 -22.3 10.8 22.2 5 5 A A + 0 0 25 -2,-0.3 2,-1.9 36,-0.2 5,-0.2 -0.002 43.3 133.5-140.7 27.9 -21.4 8.0 19.8 6 6 A D + 0 0 114 3,-0.1 2,-0.3 5,-0.1 35,-0.1 -0.440 55.7 73.9 -83.7 65.0 -24.9 6.8 19.0 7 7 A F S > S- 0 0 45 -2,-1.9 3,-2.8 206,-0.1 0, 0.0 -0.964 94.8 -41.5-162.6 173.0 -24.4 6.6 15.2 8 8 A D T 3 S- 0 0 29 1,-0.3 206,-0.2 -2,-0.3 205,-0.2 -0.213 125.6 -4.5 -49.1 119.9 -22.8 4.8 12.3 9 9 A S T 3 S+ 0 0 1 204,-2.7 -1,-0.3 1,-0.2 205,-0.2 0.540 94.5 156.4 69.7 11.0 -19.2 3.8 13.3 10 10 A G < + 0 0 5 -3,-2.8 2,-0.2 203,-0.4 -1,-0.2 -0.377 13.9 172.5 -67.8 144.2 -19.5 5.6 16.6 11 11 A N B +B 40 0A 2 29,-2.7 29,-2.1 -7,-0.1 2,-0.3 -0.776 21.5 99.8-159.0 111.3 -17.2 4.5 19.5 12 12 A I - 0 0 15 -2,-0.2 2,-0.4 27,-0.2 15,-0.2 -0.875 43.8-143.1 178.4 152.5 -16.7 6.1 22.9 13 13 A Q E -F 26 0B 43 13,-2.2 13,-2.4 -2,-0.3 2,-0.5 -1.000 26.4-134.5-125.6 125.3 -17.6 5.8 26.5 14 14 A V E +F 25 0B 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.718 29.5 168.4 -86.2 126.9 -18.0 9.1 28.4 15 15 A I E S- 0 0 5 9,-2.1 2,-0.3 -2,-0.5 10,-0.2 0.855 70.0 -18.8 -97.3 -58.8 -16.4 9.2 31.8 16 16 A D E +F 24 0B 41 8,-1.9 8,-3.1 581,-0.1 -1,-0.2 -0.919 51.4 163.7-157.1 124.1 -16.6 12.9 32.7 17 17 A A + 0 0 17 -2,-0.3 6,-0.1 6,-0.2 -1,-0.1 -0.016 49.6 108.2-129.1 28.4 -17.2 16.0 30.5 18 18 A S S S+ 0 0 96 4,-0.2 5,-0.1 1,-0.2 -1,-0.1 0.710 77.3 51.1 -78.6 -22.2 -18.1 18.5 33.2 19 19 A D S > S- 0 0 71 3,-0.2 3,-2.4 1,-0.1 -1,-0.2 -0.969 74.0-148.1-121.6 114.7 -14.8 20.5 32.9 20 20 A P T 3 S+ 0 0 38 0, 0.0 33,-3.2 0, 0.0 3,-0.5 0.750 101.3 46.7 -51.4 -29.2 -13.6 21.6 29.4 21 21 A R T 3 S+ 0 0 126 31,-0.3 31,-0.1 1,-0.2 -4,-0.0 0.361 116.4 45.6 -96.4 6.0 -10.0 21.2 30.4 22 22 A R < + 0 0 119 -3,-2.4 2,-0.5 2,-0.0 -3,-0.2 -0.167 69.9 158.1-138.7 41.2 -10.5 17.8 32.0 23 23 A I E - g 0 54B 0 30,-1.9 32,-1.3 -3,-0.5 2,-0.5 -0.583 22.4-164.7 -72.5 121.3 -12.7 15.8 29.5 24 24 A R E +Fg 16 55B 53 -8,-3.1 -9,-2.1 -2,-0.5 -8,-1.9 -0.941 15.3 162.5-114.8 128.8 -12.2 12.1 30.2 25 25 A L E -Fg 14 56B 0 30,-2.6 32,-2.2 -2,-0.5 33,-0.4 -0.924 22.2-147.2-139.5 161.7 -13.3 9.4 27.8 26 26 A A E -F 13 0B 0 -13,-2.4 -13,-2.2 -2,-0.3 2,-0.3 -0.975 20.7-119.8-132.7 146.5 -12.6 5.7 27.1 27 27 A I - 0 0 1 -2,-0.3 -15,-0.1 -15,-0.2 12,-0.1 -0.634 31.1-125.5 -83.9 141.5 -12.5 3.7 23.9 28 28 A R - 0 0 32 -2,-0.3 9,-0.3 10,-0.3 3,-0.1 -0.742 20.5-121.8 -91.8 132.3 -15.0 0.8 23.7 29 29 A P - 0 0 14 0, 0.0 7,-0.2 0, 0.0 5,-0.2 -0.255 45.0 -77.5 -66.6 159.4 -13.8 -2.7 22.9 30 30 A D > - 0 0 4 5,-2.6 3,-0.8 3,-0.2 190,-0.1 -0.097 47.9-100.8 -54.0 155.2 -15.2 -4.6 19.9 31 31 A L T 3 S+ 0 0 6 1,-0.3 -1,-0.1 188,-0.2 190,-0.1 0.858 115.7 6.2 -45.2 -47.5 -18.7 -6.1 20.0 32 32 A A T 3 S+ 0 0 12 188,-0.3 2,-0.3 370,-0.0 -1,-0.3 0.020 124.1 59.0-132.7 30.3 -17.3 -9.6 20.6 33 33 A S S < S- 0 0 22 -3,-0.8 -3,-0.2 2,-0.2 191,-0.1 -0.979 78.3-115.0-152.6 160.9 -13.5 -9.2 21.1 34 34 A Q S S+ 0 0 156 -2,-0.3 29,-0.1 -5,-0.2 -1,-0.0 0.633 75.9 115.1 -73.1 -15.2 -11.1 -7.4 23.4 35 35 A H + 0 0 45 -6,-0.1 -5,-2.6 27,-0.1 2,-0.3 -0.160 33.0 153.2 -61.0 148.5 -9.6 -5.3 20.6 36 36 A F + 0 0 13 -7,-0.2 27,-2.8 180,-0.1 28,-0.4 -0.929 21.2 119.7-171.3 150.0 -9.9 -1.5 20.4 37 37 A Q + 0 0 0 1,-0.5 2,-0.1 -2,-0.3 25,-0.1 -0.015 57.7 95.7-176.0 -45.2 -8.2 1.6 19.0 38 38 A W + 0 0 0 -10,-0.1 -1,-0.5 71,-0.0 2,-0.3 -0.388 49.4 175.8 -65.3 136.8 -10.8 3.2 16.7 39 39 A F + 0 0 0 130,-0.1 70,-1.9 -12,-0.1 71,-0.3 -0.966 11.8 171.6-140.8 154.7 -12.8 5.9 18.2 40 40 A H E +BC 11 108A 12 -29,-2.1 -29,-2.7 -2,-0.3 2,-0.3 -0.774 14.5 151.9-167.1 116.2 -15.5 8.3 16.9 41 41 A F E - C 0 107A 0 66,-2.3 66,-2.5 -2,-0.2 2,-0.4 -0.971 32.5-129.7-148.5 163.0 -17.7 10.7 18.8 42 42 A K E -AC 4 106A 33 -38,-2.7 -38,-1.9 -2,-0.3 2,-0.4 -0.916 12.9-157.2-117.1 141.7 -19.6 14.0 18.6 43 43 A V E +AC 3 105A 0 62,-3.0 62,-1.8 -2,-0.4 2,-0.3 -0.963 16.1 179.7-116.9 133.4 -19.4 16.9 21.1 44 44 A E E +A 2 0A 51 -42,-2.7 -42,-2.6 -2,-0.4 60,-0.2 -0.928 55.2 33.1-132.4 157.4 -22.3 19.4 21.3 45 45 A G S S+ 0 0 58 -2,-0.3 2,-0.2 -44,-0.2 59,-0.2 0.755 71.6 167.7 73.2 26.5 -23.0 22.5 23.4 46 46 A M - 0 0 9 57,-2.4 -1,-0.2 -3,-0.2 6,-0.0 -0.494 35.2-117.5 -75.6 142.2 -19.4 23.6 23.6 47 47 A A > - 0 0 47 -2,-0.2 3,-0.5 1,-0.1 -1,-0.1 -0.446 32.1-106.7 -77.1 150.6 -18.7 27.2 24.9 48 48 A P T 3 S+ 0 0 108 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 -0.361 95.6 15.6 -76.7 157.5 -17.0 29.8 22.7 49 49 A A T 3 S+ 0 0 87 51,-0.5 2,-0.4 1,-0.2 52,-0.1 0.883 97.7 131.9 47.1 46.4 -13.5 31.0 23.1 50 50 A T < - 0 0 40 -3,-0.5 2,-0.4 50,-0.3 -1,-0.2 -0.988 57.3-132.2-134.0 126.2 -12.8 28.0 25.3 51 51 A E - 0 0 91 -2,-0.4 2,-0.5 48,-0.2 48,-0.2 -0.612 22.3-159.0 -76.6 128.2 -9.9 25.5 25.2 52 52 A H E - H 0 98B 2 46,-2.4 46,-2.1 -2,-0.4 2,-0.5 -0.940 3.5-163.7-111.8 129.8 -11.1 21.9 25.4 53 53 A C E - H 0 97B 20 -33,-3.2 -30,-1.9 -2,-0.5 2,-0.3 -0.956 8.0-166.7-118.5 117.2 -8.7 19.2 26.5 54 54 A F E -gH 23 96B 1 42,-3.0 42,-1.8 -2,-0.5 2,-0.4 -0.742 6.5-170.7-104.7 149.6 -9.6 15.6 25.8 55 55 A T E -gH 24 95B 13 -32,-1.3 -30,-2.6 -2,-0.3 2,-1.1 -0.986 18.6-153.7-140.9 126.5 -8.1 12.4 27.2 56 56 A L E > -gH 25 94B 0 38,-2.9 3,-1.6 -2,-0.4 38,-1.4 -0.845 21.8-166.7 -96.9 94.1 -8.7 8.8 26.1 57 57 A V T 3 S+ 0 0 27 -32,-2.2 3,-0.3 -2,-1.1 -31,-0.2 0.681 77.9 47.4 -58.4 -25.5 -7.8 7.3 29.4 58 58 A N T > S+ 0 0 11 -33,-0.4 3,-2.0 1,-0.2 -1,-0.3 0.175 71.2 113.5-106.7 20.0 -7.5 3.7 28.3 59 59 A A G X S+ 0 0 0 -3,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.841 70.6 66.2 -57.1 -32.8 -5.3 4.2 25.2 60 60 A G G 3 S+ 0 0 43 -3,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.713 101.0 48.6 -63.3 -19.7 -2.6 2.3 27.0 61 61 A Q G < S+ 0 0 93 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.324 87.4 120.2-101.3 5.5 -4.7 -0.9 26.9 62 62 A S S X S- 0 0 11 -3,-1.7 3,-1.0 -4,-0.2 -25,-0.2 -0.135 80.1-102.0 -67.5 167.8 -5.5 -0.6 23.2 63 63 A A T 3 S+ 0 0 32 -27,-2.8 -26,-0.1 1,-0.3 3,-0.1 0.835 119.5 21.7 -58.9 -36.6 -4.6 -3.2 20.6 64 64 A Y T > S+ 0 0 78 -28,-0.4 3,-1.8 1,-0.1 -1,-0.3 -0.497 73.5 158.4-133.0 62.8 -1.7 -1.2 19.3 65 65 A S G X S+ 0 0 39 -3,-1.0 3,-1.2 1,-0.3 4,-0.3 0.718 70.2 63.9 -60.7 -25.1 -0.8 1.2 22.1 66 66 A H G > S+ 0 0 139 1,-0.2 3,-0.7 2,-0.1 -1,-0.3 0.703 91.8 68.0 -74.1 -14.9 2.7 1.8 20.9 67 67 A A G < S+ 0 0 0 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.509 78.1 80.1 -81.5 -3.9 1.2 3.4 17.8 68 68 A W G X + 0 0 1 -3,-1.2 3,-2.0 -4,-0.2 2,-0.2 0.795 68.4 96.8 -73.2 -27.6 -0.2 6.4 19.7 69 69 A S T < S+ 0 0 74 -3,-0.7 3,-0.1 1,-0.3 19,-0.1 -0.459 98.1 10.1 -64.4 126.1 3.2 8.1 19.8 70 70 A G T 3 S+ 0 0 58 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.427 99.0 130.1 85.3 -2.1 3.3 10.6 16.9 71 71 A Y < - 0 0 2 -3,-2.0 2,-0.5 268,-0.1 -1,-0.3 -0.731 41.4-161.0 -91.4 134.0 -0.4 10.2 16.2 72 72 A Q - 0 0 65 -2,-0.4 24,-0.1 266,-0.2 -3,-0.0 -0.960 21.3-122.7-114.9 125.5 -2.6 13.3 15.9 73 73 A A - 0 0 0 -2,-0.5 12,-2.2 12,-0.4 2,-0.3 -0.230 23.1-127.5 -63.3 153.9 -6.4 12.9 16.3 74 74 A V E +DE 84 108A 5 34,-1.8 34,-2.3 10,-0.2 2,-0.3 -0.812 28.3 179.6-106.5 146.0 -8.7 14.0 13.5 75 75 A A E -DE 83 107A 0 8,-2.8 8,-3.0 -2,-0.3 2,-0.3 -0.919 9.7-172.4-140.5 164.8 -11.7 16.4 13.9 76 76 A S E - E 0 106A 0 30,-2.0 30,-2.8 -2,-0.3 6,-0.1 -0.944 20.9-159.0-161.1 138.2 -14.4 18.0 11.9 77 77 A Y S S+ 0 0 46 4,-0.5 -1,-0.1 -2,-0.3 5,-0.1 0.818 100.9 21.4 -85.1 -32.9 -17.1 20.6 12.4 78 78 A D S S- 0 0 82 3,-0.4 4,-0.1 28,-0.1 -1,-0.1 0.578 100.2-114.0-112.6 -14.0 -19.3 19.5 9.5 79 79 A G S S+ 0 0 30 2,-0.4 3,-0.1 27,-0.1 -3,-0.0 0.482 105.4 71.3 90.8 2.0 -18.3 15.9 8.7 80 80 A E S S+ 0 0 163 1,-0.3 2,-0.7 31,-0.0 -4,-0.0 0.717 90.1 51.1-114.3 -45.4 -16.9 17.0 5.3 81 81 A R S S- 0 0 202 2,-0.0 -4,-0.5 0, 0.0 2,-0.4 -0.888 72.2-168.8-100.6 113.7 -13.7 18.9 6.1 82 82 A W - 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