==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 15-JUL-05 2AB9 . COMPND 2 MOLECULE: PRO-SFTI-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS; . AUTHOR J.P.MULVENNA,F.M.FOLEY,D.J.CRAIK . 31 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 8 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 1 3.2 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 . 5 16.1 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+3), 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+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 . 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 122 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.0 -7.9 0.7 14.9 2 2 A Y - 0 0 151 25,-0.1 2,-0.4 1,-0.1 3,-0.1 -0.551 360.0-134.5 -71.5 121.5 -4.7 1.7 13.1 3 3 A K - 0 0 130 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 -0.648 7.9-155.9 -80.9 128.7 -2.9 4.3 15.1 4 4 A T S S+ 0 0 136 -2,-0.4 2,-0.3 2,-0.1 -1,-0.2 0.886 78.7 77.1 -68.5 -38.5 -1.6 7.2 13.1 5 5 A S S S- 0 0 87 1,-0.1 -2,-0.1 -3,-0.1 0, 0.0 -0.561 96.4-107.2 -75.8 132.7 1.1 7.8 15.7 6 6 A I - 0 0 92 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.233 34.6-175.1 -59.1 144.6 4.1 5.4 15.5 7 7 A S - 0 0 44 6,-0.4 2,-2.6 4,-0.1 3,-0.3 -0.640 10.8-166.5-148.0 83.2 4.2 2.8 18.3 8 8 A T + 0 0 83 1,-0.2 4,-0.2 -2,-0.2 -2,-0.0 -0.422 25.3 157.2 -72.2 70.8 7.3 0.6 18.2 9 9 A I S S- 0 0 145 -2,-2.6 -1,-0.2 2,-0.4 3,-0.1 0.827 88.7 -29.7 -65.4 -31.8 6.0 -1.9 20.7 10 10 A T S S+ 0 0 127 1,-0.6 2,-0.3 -3,-0.3 -2,-0.1 0.330 136.9 27.5-151.5 -46.4 8.4 -4.4 19.3 11 11 A I S S- 0 0 129 -4,-0.2 2,-0.6 2,-0.1 -1,-0.6 -0.927 78.3-115.3-127.6 151.1 9.0 -3.5 15.7 12 12 A E + 0 0 114 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.1 -0.777 56.3 128.7 -90.1 120.8 8.8 -0.2 13.9 13 13 A D + 0 0 96 -2,-0.6 -6,-0.4 3,-0.0 2,-0.2 -0.935 16.4 155.4-169.4 145.8 6.1 -0.1 11.2 14 14 A N - 0 0 69 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.1 -0.796 65.2 -24.3-175.4 129.7 3.2 2.1 10.1 15 15 A G S S+ 0 0 29 -2,-0.2 11,-0.2 1,-0.1 13,-0.1 -0.481 83.6 117.0 66.2-120.7 1.4 2.6 6.9 16 16 A R S S- 0 0 127 -2,-0.3 2,-0.4 9,-0.2 -1,-0.1 -0.183 80.4 -40.9 57.6-148.8 3.7 1.6 4.0 17 17 A a - 0 0 64 8,-0.2 8,-0.3 10,-0.1 -3,-0.0 -0.953 61.7-113.1-119.1 133.9 2.8 -1.3 1.8 18 18 A T - 0 0 34 6,-2.1 -2,-0.0 -2,-0.4 11,-0.0 -0.276 10.5-148.5 -64.2 145.8 1.3 -4.5 3.1 19 19 A K S S+ 0 0 203 4,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.337 78.7 31.2-109.8 47.8 3.2 -7.7 2.9 20 20 A S S S- 0 0 76 2,-0.1 4,-0.1 4,-0.1 -2,-0.1 -0.856 101.9 -1.6-169.8-158.6 0.1 -9.9 2.4 21 21 A I S S+ 0 0 100 9,-0.3 9,-2.6 1,-0.3 -2,-0.1 -0.836 123.6 28.2 -99.5 127.3 -3.3 -9.9 1.0 22 22 A P S S- 0 0 36 0, 0.0 2,-1.2 0, 0.0 -1,-0.3 0.440 86.0-152.8 -89.2 138.6 -4.3 -7.5 -0.2 23 23 A P + 0 0 109 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.570 44.5 128.3 -74.2 97.0 -0.9 -6.2 -1.3 24 24 A I S S- 0 0 87 -2,-1.2 2,-2.5 4,-0.2 -6,-2.1 -0.995 70.2-111.2-151.3 148.4 -1.4 -2.4 -1.4 25 25 A a S S+ 0 0 89 -2,-0.3 -8,-0.2 -8,-0.3 -9,-0.2 -0.396 86.1 99.8 -79.1 62.8 0.3 0.6 0.0 26 26 A F S S- 0 0 116 -2,-2.5 2,-2.9 2,-0.2 -8,-0.3 -0.986 87.4-105.0-149.0 138.4 -2.6 1.3 2.3 27 27 A P S S+ 0 0 57 0, 0.0 2,-0.3 0, 0.0 -25,-0.1 -0.334 86.6 98.7 -66.8 68.5 -3.1 0.5 6.1 28 28 A D + 0 0 48 -2,-2.9 2,-0.3 -4,-0.3 -4,-0.2 -0.963 40.2 161.8-156.6 135.6 -5.4 -2.4 5.5 29 29 A G - 0 0 26 -2,-0.3 -8,-0.0 -6,-0.1 0, 0.0 -0.989 35.8-116.7-157.4 147.5 -4.9 -6.2 5.4 30 30 A R 0 0 122 -9,-2.6 -9,-0.3 -2,-0.3 -2,-0.0 -0.744 360.0 360.0 -89.0 128.9 -7.0 -9.4 5.6 31 31 A P 0 0 174 0, 0.0 -1,-0.0 0, 0.0 -11,-0.0 -0.481 360.0 360.0 -69.3 360.0 -6.2 -11.6 8.6