==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR 29-JUL-02 1H20 . COMPND 2 MOLECULE: METALLOCARBOXYPEPTIDASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM TUBEROSUM; . AUTHOR C.GONZALEZ,J.L.NEIRA,S.VENTURA,S.BRONSOMS,F.X.AVILES,M.RICO . 39 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 48.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 2.6 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 . 6 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 5.1 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 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 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E 0 0 157 0, 0.0 2,-2.6 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -69.6 10.8 3.6 7.7 2 2 A Q + 0 0 141 1,-0.2 21,-0.0 2,-0.1 0, 0.0 -0.292 360.0 177.8 72.2 -67.3 11.2 5.8 4.6 3 3 A H + 0 0 94 -2,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.617 20.8 149.0 42.6 25.5 8.0 4.7 2.9 4 4 A A + 0 0 82 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 -0.058 30.4 150.3 -74.2 38.6 8.3 7.1 -0.1 5 5 A D - 0 0 19 -2,-0.3 16,-0.1 1,-0.1 -3,-0.0 -0.447 43.1-158.6 -79.6 135.5 6.4 4.3 -2.0 6 6 A P S S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 0.506 87.2 60.5 -90.2 -10.7 4.2 5.1 -5.0 7 7 A I > + 0 0 38 11,-0.1 3,-2.8 2,-0.1 2,-0.5 0.644 68.7 128.5 -91.1 -21.0 2.1 1.9 -4.9 8 8 A a B 3 S+a 34 0A 58 1,-0.3 27,-0.2 25,-0.1 17,-0.1 -0.264 83.3 8.9 -54.1 116.8 0.7 2.4 -1.4 9 9 A N T 3 S+ 0 0 115 25,-1.7 -1,-0.3 -2,-0.5 26,-0.1 0.356 85.9 148.8 87.9 13.4 -3.1 2.0 -1.6 10 10 A K < - 0 0 84 -3,-2.8 24,-1.6 24,-0.3 -1,-0.3 -0.625 52.2-117.9 -69.0 124.4 -3.1 0.7 -5.2 11 11 A P B +C 33 0B 85 0, 0.0 22,-0.3 0, 0.0 2,-0.2 -0.467 63.0 109.8 -78.1 129.2 -6.1 -1.6 -5.5 12 12 A b - 0 0 22 20,-2.5 3,-0.1 -2,-0.2 -3,-0.0 -0.901 59.1-126.9-168.5-169.4 -5.3 -5.2 -6.3 13 13 A K S S+ 0 0 93 -2,-0.2 2,-0.2 1,-0.2 19,-0.1 0.654 83.3 52.8-126.4 -40.1 -5.2 -8.7 -4.7 14 14 A T S >> S- 0 0 84 12,-0.1 3,-0.7 18,-0.1 4,-0.5 -0.627 77.2-123.9 -93.8 172.5 -1.7 -10.1 -5.3 15 15 A H T 34 S+ 0 0 55 1,-0.2 3,-0.1 -2,-0.2 13,-0.1 0.673 104.6 71.8 -90.1 -23.8 1.7 -8.5 -4.4 16 16 A D T >4 S+ 0 0 99 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 0.617 87.3 63.0 -63.2 -26.3 2.9 -8.9 -8.1 17 17 A D T <4 S+ 0 0 65 -3,-0.7 2,-0.8 1,-0.3 3,-0.4 0.959 100.4 54.0 -68.1 -29.4 0.5 -6.1 -9.1 18 18 A c T >< S+ 0 0 0 -4,-0.5 3,-1.4 1,-0.2 -1,-0.3 -0.081 78.2 138.1 -96.6 36.1 2.7 -4.0 -6.8 19 19 A S T < + 0 0 88 -3,-0.9 -1,-0.2 -2,-0.8 -2,-0.1 0.857 66.4 46.4 -51.0 -47.3 5.6 -5.2 -8.9 20 20 A G T 3 S+ 0 0 69 -3,-0.4 -1,-0.3 -4,-0.1 -2,-0.1 0.366 95.2 107.3 -80.3 -7.2 7.5 -1.9 -9.2 21 21 A A < - 0 0 10 -3,-1.4 -16,-0.0 1,-0.1 -3,-0.0 -0.332 44.5-175.8 -68.6 168.3 7.1 -1.3 -5.4 22 22 A W S S+ 0 0 130 -2,-0.1 15,-0.1 0, 0.0 -1,-0.1 0.612 86.0 17.7-134.8 -32.9 9.7 -1.6 -2.7 23 23 A F S S+ 0 0 71 13,-0.1 14,-2.1 1,-0.1 2,-0.5 0.884 127.2 45.0-108.2 -63.1 7.8 -1.0 0.5 24 24 A a S S+ 0 0 2 12,-0.3 -15,-0.2 1,-0.2 11,-0.2 0.093 74.9 136.3 -85.6 49.0 4.0 -1.5 -0.3 25 25 A Q + 0 0 24 -2,-0.5 2,-0.4 9,-0.2 -1,-0.2 0.394 51.4 67.9 -75.5 -6.1 5.0 -4.7 -2.2 26 26 A A E S-B 35 0A 15 9,-2.2 9,-3.3 -3,-0.2 2,-1.0 -0.968 76.5-136.0-125.4 123.2 2.2 -6.9 -0.8 27 27 A b E -B 34 0A 11 -2,-0.4 7,-0.3 7,-0.3 -12,-0.1 -0.760 31.2-132.5 -82.6 113.7 -1.5 -6.4 -1.6 28 28 A W > - 0 0 107 5,-1.8 4,-1.4 -2,-1.0 -16,-0.2 0.100 3.5-126.4 -70.3 148.1 -3.4 -6.7 1.6 29 29 A N T 4 S+ 0 0 134 2,-0.2 -1,-0.0 3,-0.1 -2,-0.0 0.995 101.1 25.4 -53.9 -74.8 -6.6 -8.7 2.2 30 30 A S T 4 S+ 0 0 104 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.869 128.2 46.4 -67.2 -33.9 -9.2 -6.4 3.7 31 31 A A T 4 S- 0 0 37 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.909 88.0-154.3 -79.4 -29.4 -7.7 -3.2 2.2 32 32 A R < + 0 0 145 -4,-1.4 -20,-2.5 1,-0.3 2,-0.3 0.755 58.9 108.7 55.6 31.4 -7.3 -4.9 -1.3 33 33 A T B S-C 11 0B 15 -22,-0.3 -5,-1.8 -5,-0.2 2,-0.6 -0.871 86.5 -81.4-139.1 152.2 -4.5 -2.4 -1.8 34 34 A c E +aB 8 27A 0 -24,-1.6 -25,-1.7 -27,-0.5 -24,-0.3 -0.598 61.1 165.4 -59.4 91.8 -0.7 -2.4 -2.0 35 35 A G E - B 0 26A 8 -9,-3.3 -9,-2.2 -2,-0.6 -17,-0.0 -0.723 46.7 -55.7 -97.0 178.3 0.4 -2.4 1.6 36 36 A P - 0 0 47 0, 0.0 -12,-0.3 0, 0.0 -1,-0.2 -0.151 52.1-112.7 -63.0 152.0 3.8 -3.1 3.2 37 37 A Y - 0 0 120 -14,-2.1 2,-2.6 1,-0.2 -13,-0.1 0.433 35.6-138.9 -71.1 14.4 5.4 -6.5 2.3 38 38 A V 0 0 118 -15,-0.1 -1,-0.2 -12,-0.1 -14,-0.0 -0.450 360.0 360.0 60.2 -57.4 5.0 -7.6 5.9 39 39 A G 0 0 132 -2,-2.6 0, 0.0 -3,-0.1 0, 0.0 -0.273 360.0 360.0 55.0 360.0 8.4 -9.2 6.0