==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-DEC-09 3L2N . COMPND 2 MOLECULE: PEPTIDASE M14, CARBOXYPEPTIDASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA DENITRIFICANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 752 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26958.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 14.6 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 . 4 0.5 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 . 60 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 21.7 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 2 0 0 4 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 8 4 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 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 X 0 0 68 0, 0.0 2,-0.4 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 121.7 -29.0 1.2 -16.5 2 2 A R E -A 44 0A 134 42,-3.1 42,-2.0 2,-0.0 2,-0.4 -0.959 360.0-167.3-130.4 138.8 -30.0 -2.2 -15.0 3 3 A I E +A 43 0A 26 -2,-0.4 2,-0.3 40,-0.2 40,-0.2 -0.973 16.7 171.9-121.8 140.3 -28.1 -5.4 -14.1 4 4 A S E +A 42 0A 15 38,-2.2 38,-3.1 -2,-0.4 7,-0.2 -0.996 24.8 165.0-145.9 139.1 -29.9 -8.7 -13.3 5 5 A A + 0 0 22 -2,-0.3 2,-1.8 36,-0.2 5,-0.2 0.179 39.9 125.0-132.7 15.7 -29.0 -12.3 -12.7 6 6 A N + 0 0 63 512,-0.3 2,-0.3 3,-0.1 514,-0.2 -0.562 55.3 78.9 -83.0 87.7 -32.2 -13.6 -11.2 7 7 A F S > S- 0 0 17 -2,-1.8 3,-2.8 205,-0.2 485,-0.0 -0.944 95.1 -52.0-174.7 165.2 -32.7 -16.5 -13.6 8 8 A D T 3 S+ 0 0 30 1,-0.3 204,-0.2 -2,-0.3 205,-0.1 -0.223 126.5 4.4 -50.0 126.7 -31.6 -20.0 -14.2 9 9 A G T 3 S+ 0 0 7 203,-2.1 -1,-0.3 1,-0.2 204,-0.1 0.465 93.8 154.4 78.3 2.0 -27.8 -20.0 -14.4 10 10 A G < + 0 0 4 -3,-2.8 -1,-0.2 202,-0.3 31,-0.2 -0.309 14.1 171.2 -68.3 143.2 -27.5 -16.3 -13.5 11 11 A N B +B 40 0A 1 29,-3.3 29,-2.1 -7,-0.2 2,-0.3 -0.687 22.9 99.0-159.4 102.4 -24.4 -15.1 -11.8 12 12 A I - 0 0 14 -2,-0.2 2,-0.4 27,-0.2 15,-0.2 -0.870 41.5-148.7-168.2 151.7 -23.3 -11.5 -11.0 13 13 A E E -F 26 0B 59 13,-2.6 13,-2.4 -2,-0.3 2,-0.5 -0.993 22.8-133.2-120.8 135.8 -23.3 -9.1 -8.1 14 14 A T E +F 25 0B 68 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.791 27.8 170.6 -89.9 121.6 -23.7 -5.4 -8.8 15 15 A I E S- 0 0 89 9,-3.2 2,-0.3 -2,-0.5 10,-0.2 0.870 70.7 -5.7 -91.8 -47.8 -21.2 -3.1 -7.0 16 16 A S E +F 24 0B 33 8,-2.0 8,-2.4 3,-0.1 -1,-0.3 -0.936 38.6 176.7-156.4 124.7 -22.1 0.2 -8.8 17 17 A L E + 0 0 48 -2,-0.3 6,-0.1 6,-0.2 -1,-0.1 -0.028 63.2 104.3-107.5 26.9 -24.2 1.3 -11.8 18 18 A A E S+ 0 0 84 1,-0.2 5,-0.1 4,-0.2 -1,-0.1 0.969 76.4 43.0 -71.2 -53.1 -23.3 5.0 -11.2 19 19 A N E > -F 22 0B 69 3,-0.6 3,-1.7 1,-0.1 -1,-0.2 -0.852 61.8-157.9-105.2 120.7 -20.8 5.5 -14.0 20 20 A P T 3 S+ 0 0 50 0, 0.0 32,-2.2 0, 0.0 3,-0.4 0.735 99.0 55.0 -68.1 -20.1 -21.5 4.1 -17.5 21 21 A D T 3 S+ 0 0 112 1,-0.3 2,-0.1 30,-0.2 32,-0.1 0.462 121.2 29.5 -85.7 -2.4 -17.8 4.2 -18.2 22 22 A D E < S+F 19 0B 52 -3,-1.7 -3,-0.6 2,-0.0 2,-0.5 -0.532 70.0 176.5-158.4 71.9 -17.1 2.0 -15.1 23 23 A I E - g 0 53B 0 29,-3.2 31,-3.5 -3,-0.4 2,-0.5 -0.763 25.5-144.7 -79.4 131.5 -20.0 -0.3 -14.3 24 24 A Q E +Fg 16 54B 49 -8,-2.4 -9,-3.2 -2,-0.5 -8,-2.0 -0.900 28.9 157.7-113.4 123.2 -18.7 -2.3 -11.3 25 25 A L E -Fg 14 55B 0 29,-2.8 31,-2.6 -2,-0.5 32,-0.4 -0.814 21.9-153.9-133.7 168.7 -19.6 -6.0 -10.8 26 26 A A E -F 13 0B 17 -13,-2.4 -13,-2.6 -2,-0.3 2,-0.5 -0.990 22.8-117.4-145.9 150.8 -18.4 -9.1 -9.0 27 27 A I - 0 0 2 -2,-0.3 12,-0.1 -15,-0.2 -15,-0.1 -0.764 30.8-127.3 -87.8 130.1 -18.7 -12.8 -9.6 28 28 A R - 0 0 81 -2,-0.5 9,-0.3 10,-0.1 2,-0.1 -0.540 27.6-118.8 -74.6 137.9 -20.5 -14.7 -6.8 29 29 A P - 0 0 59 0, 0.0 7,-0.2 0, 0.0 3,-0.1 -0.385 30.9 -95.6 -76.0 157.8 -18.6 -17.7 -5.5 30 30 A D > - 0 0 3 5,-2.9 3,-3.2 1,-0.2 5,-0.2 -0.323 57.5 -78.1 -58.8 149.8 -19.8 -21.2 -5.6 31 31 A A T 3 S+ 0 0 33 1,-0.3 3,-0.3 188,-0.2 -1,-0.2 -0.300 129.2 40.3 -43.0 129.0 -21.6 -22.6 -2.6 32 32 A G T 3 S- 0 0 70 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.134 109.8-116.6 104.6 -21.1 -18.6 -23.3 -0.3 33 33 A G S < S+ 0 0 52 -3,-3.2 -1,-0.2 2,-0.1 -2,-0.1 0.483 85.5 111.2 74.1 4.0 -16.8 -20.2 -1.3 34 34 A E S S+ 0 0 149 -3,-0.3 2,-0.3 -4,-0.1 -1,-0.1 0.775 72.6 24.9 -84.4 -30.2 -13.9 -22.0 -2.9 35 35 A F + 0 0 36 -5,-0.2 -5,-2.9 -4,-0.1 2,-0.3 -0.896 50.7 155.1-135.2 160.0 -14.3 -21.3 -6.6 36 36 A Y + 0 0 31 -2,-0.3 26,-2.9 -7,-0.2 27,-0.3 -0.889 23.5 125.0-174.3 159.4 -15.7 -19.0 -9.3 37 37 A Q + 0 0 0 1,-0.4 2,-0.1 -9,-0.3 24,-0.1 -0.050 55.1 101.0-179.5 -48.8 -15.3 -17.9 -12.9 38 38 A W + 0 0 6 70,-0.1 -1,-0.4 69,-0.1 2,-0.3 -0.341 45.6 172.7 -53.5 128.4 -18.7 -18.5 -14.5 39 39 A F + 0 0 0 129,-0.1 69,-2.2 -3,-0.1 70,-0.4 -0.920 9.2 169.0-133.9 163.5 -20.8 -15.3 -14.9 40 40 A N E +BC 11 107A 1 -29,-2.1 -29,-3.3 -2,-0.3 2,-0.3 -0.751 16.0 143.6-176.7 114.6 -24.1 -14.7 -16.6 41 41 A F E - C 0 106A 0 65,-2.5 65,-2.9 -2,-0.2 2,-0.4 -0.987 40.7-116.1-157.0 167.1 -26.3 -11.7 -16.4 42 42 A R E -AC 4 105A 8 -38,-3.1 -38,-2.2 -2,-0.3 2,-0.4 -0.892 23.5-167.2-112.9 141.8 -28.6 -9.3 -18.2 43 43 A F E -AC 3 104A 0 61,-2.5 61,-2.2 -2,-0.4 2,-0.4 -1.000 2.9-173.4-129.7 126.6 -27.8 -5.7 -18.8 44 44 A E E +AC 2 103A 15 -42,-2.0 -42,-3.1 -2,-0.4 2,-0.2 -0.977 25.4 126.0-123.4 134.5 -30.3 -3.1 -20.0 45 45 A A - 0 0 15 57,-1.8 2,-0.4 -2,-0.4 -2,-0.0 -0.810 60.6 -47.7-158.6-156.1 -29.4 0.5 -20.9 46 46 A T > - 0 0 93 -2,-0.2 3,-0.9 1,-0.1 53,-0.3 -0.775 53.3-124.7 -98.3 130.5 -29.7 3.1 -23.7 47 47 A I T 3 S+ 0 0 69 -2,-0.4 53,-0.2 1,-0.2 3,-0.1 -0.252 89.9 40.6 -71.7 159.0 -28.8 2.0 -27.2 48 48 A G T 3 S+ 0 0 73 51,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.266 95.1 96.6 86.9 -11.7 -26.2 4.0 -29.1 49 49 A K S < S- 0 0 54 -3,-0.9 50,-1.4 50,-0.3 2,-0.6 -0.761 70.4-128.6-109.3 156.0 -23.8 4.4 -26.2 50 50 A T E - H 0 98B 69 -2,-0.3 2,-0.3 48,-0.2 48,-0.3 -0.942 25.6-166.5-109.0 120.4 -20.8 2.3 -25.2 51 51 A Y E - H 0 97B 10 46,-2.8 46,-2.5 -2,-0.6 2,-0.5 -0.745 12.0-144.0-105.0 146.0 -20.7 1.0 -21.7 52 52 A T E - H 0 96B 34 -32,-2.2 -29,-3.2 -2,-0.3 2,-0.5 -0.971 12.3-164.5-113.9 126.3 -17.7 -0.5 -19.8 53 53 A L E -gH 23 95B 0 42,-2.7 42,-3.4 -2,-0.5 2,-0.5 -0.944 4.6-165.4-113.2 121.8 -18.5 -3.3 -17.4 54 54 A N E -gH 24 94B 14 -31,-3.5 -29,-2.8 -2,-0.5 2,-1.0 -0.948 14.5-155.8-118.3 115.0 -15.7 -4.2 -14.9 55 55 A I E > -gH 25 93B 0 38,-2.6 38,-1.7 -2,-0.5 3,-1.1 -0.815 15.7-167.6 -87.8 103.3 -15.8 -7.4 -13.0 56 56 A L T 3 S+ 0 0 65 -31,-2.6 3,-0.3 -2,-1.0 -30,-0.2 0.663 78.6 51.3 -72.1 -19.6 -13.6 -6.2 -10.1 57 57 A N T > S+ 0 0 41 -32,-0.4 3,-1.6 1,-0.2 -1,-0.3 0.060 70.8 111.4-107.4 22.6 -13.0 -9.6 -8.5 58 58 A A G X + 0 0 0 -3,-1.1 3,-2.4 33,-0.5 34,-0.2 0.865 69.7 67.1 -62.7 -34.3 -11.8 -11.4 -11.7 59 59 A G G 3 S+ 0 0 31 32,-2.1 -1,-0.3 -3,-0.3 33,-0.1 0.613 99.5 50.7 -64.1 -12.0 -8.3 -11.5 -10.1 60 60 A G G < S+ 0 0 45 -3,-1.6 -1,-0.3 31,-0.2 -2,-0.2 0.298 83.6 122.3-105.7 5.1 -9.7 -14.0 -7.5 61 61 A A S < S- 0 0 9 -3,-2.4 3,-0.3 -4,-0.1 -24,-0.2 -0.263 75.6-109.7 -63.7 160.1 -11.3 -16.3 -10.0 62 62 A S S S+ 0 0 40 -26,-2.9 2,-0.5 1,-0.2 -25,-0.1 0.819 106.6 34.4 -61.6 -39.0 -10.2 -20.0 -10.0 63 63 A Y > + 0 0 75 -27,-0.3 3,-0.5 1,-0.1 4,-0.3 -0.852 60.8 178.9-125.7 97.3 -8.3 -19.9 -13.3 64 64 A L G >> S+ 0 0 82 -2,-0.5 3,-2.0 -3,-0.3 4,-0.5 0.850 82.7 60.9 -68.4 -33.6 -6.5 -16.6 -14.0 65 65 A K G >4 S+ 0 0 70 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.834 91.3 72.9 -59.1 -31.1 -5.0 -17.8 -17.4 66 66 A G G <4 S+ 0 0 0 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.756 94.0 53.2 -51.8 -26.8 -8.6 -18.2 -18.3 67 67 A W G X4 S+ 0 0 2 -3,-2.0 3,-1.4 -4,-0.3 2,-0.4 0.680 83.9 97.1 -83.2 -23.9 -8.8 -14.3 -18.5 68 68 A E T << S- 0 0 112 -3,-1.3 3,-0.1 -4,-0.5 19,-0.0 -0.582 106.8 -6.3 -78.4 127.5 -5.8 -13.8 -20.8 69 69 A D T 3 S+ 0 0 147 -2,-0.4 -1,-0.3 1,-0.2 2,-0.2 0.578 101.8 144.6 63.1 13.4 -7.0 -13.3 -24.4 70 70 A Y < - 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