==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD CLOTTING, HYDROLASE INHIBITOR 25-OCT-05 2ERW . COMPND 2 MOLECULE: SERINE PROTEASE INHIBITOR INFESTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRIATOMA INFESTANS; . AUTHOR I.T.N.CAMPOS,A.S.TANAKA,J.A.R.G.BARBOSA . 53 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 28 52.8 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 . 8 15.1 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 . 1 1.9 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 . 5 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 1 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 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 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 4 A N > 0 0 160 0, 0.0 3,-0.7 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 125.6 10.6 12.0 8.7 2 5 A P T 3 + 0 0 42 0, 0.0 26,-0.4 0, 0.0 27,-0.1 0.697 360.0 50.7 -74.5 -19.6 10.4 10.2 12.1 3 6 A a T 3 S+ 0 0 48 25,-0.2 2,-1.4 24,-0.1 22,-0.1 0.301 77.1 104.6-105.4 6.5 13.9 11.4 13.1 4 7 A A < + 0 0 67 -3,-0.7 2,-0.4 20,-0.1 -1,-0.0 -0.754 56.5 144.4 -84.2 90.5 13.3 15.0 12.4 5 8 A b - 0 0 26 -2,-1.4 2,-0.1 20,-0.0 -2,-0.0 -0.972 49.4-129.2-133.4 148.7 12.9 15.9 16.1 6 9 A F - 0 0 172 -2,-0.4 19,-0.2 1,-0.1 18,-0.1 -0.441 28.2-120.7 -82.5 169.9 13.8 18.8 18.3 7 10 A R + 0 0 226 -2,-0.1 3,-0.1 2,-0.1 -1,-0.1 0.397 56.5 145.4 -97.2 4.7 15.7 18.1 21.4 8 11 A N - 0 0 113 1,-0.1 2,-0.9 2,-0.0 -2,-0.1 -0.123 57.3-113.3 -47.3 134.8 13.2 19.5 23.9 9 12 A Y + 0 0 136 1,-0.1 13,-0.2 13,-0.1 -1,-0.1 -0.604 59.5 141.8 -87.4 106.9 13.3 17.3 26.9 10 13 A V - 0 0 61 11,-3.1 10,-0.1 -2,-0.9 -1,-0.1 -0.715 42.4-150.9-137.4 74.7 10.1 15.4 27.4 11 14 A P + 0 0 24 0, 0.0 32,-2.7 0, 0.0 2,-0.3 -0.234 20.5 174.5 -67.1 133.8 11.5 12.1 28.7 12 15 A V E -AB 20 42A 0 8,-2.2 8,-3.3 30,-0.3 2,-0.5 -0.972 27.7-122.4-134.2 156.1 9.7 9.0 28.0 13 16 A c E -AB 19 41A 7 28,-3.0 27,-2.9 -2,-0.3 28,-1.3 -0.871 23.8-146.0-107.6 125.1 10.5 5.4 28.6 14 17 A G E > - B 0 39A 1 4,-3.0 3,-2.3 -2,-0.5 25,-0.2 -0.434 27.2-112.4 -85.4 161.6 10.6 2.9 25.8 15 18 A S T 3 S+ 0 0 61 23,-2.2 24,-0.1 1,-0.3 -1,-0.1 0.618 116.7 67.0 -67.4 -11.9 9.6 -0.7 25.8 16 19 A D T 3 S- 0 0 65 22,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.393 119.2-110.4 -83.9 1.6 13.3 -1.4 25.3 17 20 A G S < S+ 0 0 50 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.586 81.1 124.7 78.4 10.6 14.0 0.0 28.7 18 21 A K - 0 0 111 26,-0.0 -4,-3.0 27,-0.0 2,-0.3 -0.840 60.5-127.2-105.3 139.3 15.7 3.1 27.2 19 22 A T E -A 13 0A 14 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.642 20.9-153.5 -79.1 137.3 14.7 6.6 27.9 20 23 A Y E -A 12 0A 18 -8,-3.3 -8,-2.2 -2,-0.3 23,-0.1 -0.915 20.1-127.1-111.5 146.2 14.0 8.7 24.9 21 24 A G S S- 0 0 30 -2,-0.4 -11,-3.1 -10,-0.2 -1,-0.1 0.695 87.2 -16.6 -69.5 -22.2 14.5 12.4 25.0 22 25 A N S > S- 0 0 11 -13,-0.2 4,-2.0 -10,-0.1 5,-0.2 -0.942 75.9 -93.9-166.3 167.7 11.0 13.0 23.8 23 26 A P H > S+ 0 0 55 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.855 121.6 59.3 -59.9 -33.3 8.3 11.1 22.0 24 27 A b H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.947 107.2 47.2 -59.0 -44.6 9.5 12.2 18.7 25 28 A M H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 109.2 53.8 -67.5 -33.2 12.8 10.7 19.3 26 29 A L H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.940 109.5 48.6 -62.9 -44.0 11.2 7.5 20.5 27 30 A N H X S+ 0 0 65 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.907 107.5 54.9 -63.2 -39.0 9.3 7.3 17.3 28 31 A a H X S+ 0 0 22 -4,-2.5 4,-1.4 -26,-0.4 3,-0.4 0.954 111.4 44.5 -55.0 -48.1 12.5 7.9 15.4 29 32 A A H X>S+ 0 0 4 -4,-2.3 5,-3.3 1,-0.2 4,-2.8 0.886 110.0 56.1 -64.8 -36.2 14.0 5.0 17.2 30 33 A A H <5S+ 0 0 15 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.813 114.1 40.3 -64.0 -30.5 10.8 2.9 16.6 31 34 A Q H <5S+ 0 0 116 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.674 133.4 16.9 -92.4 -18.2 11.1 3.5 12.9 32 35 A T H <5S+ 0 0 86 -4,-1.4 -3,-0.2 -3,-0.2 -2,-0.2 0.610 131.7 20.9-131.2 -22.8 14.9 3.2 12.5 33 36 A K T <5S+ 0 0 157 -4,-2.8 -3,-0.2 -5,-0.3 -4,-0.1 0.730 116.8 36.0-122.8 -38.7 16.5 1.4 15.4 34 37 A V S > >> - 0 0 159 -2,-0.6 4,-2.3 -3,-0.0 3,-1.8 -0.762 44.9-130.8-153.2 101.5 16.9 2.7 36.8 48 51 A S T 345S+ 0 0 91 1,-0.3 5,-0.1 -2,-0.2 -2,-0.0 -0.219 88.1 9.4 -57.6 142.6 18.2 3.7 40.2 49 52 A N T 345S+ 0 0 125 3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.618 132.6 52.2 64.1 15.8 21.5 5.4 40.4 50 53 A V T <45S+ 0 0 95 -3,-1.8 -2,-0.2 2,-0.3 -1,-0.2 0.399 122.7 15.7-135.8 -65.1 21.6 5.8 36.6 51 54 A E T <5S+ 0 0 38 -4,-2.3 2,-0.3 2,-0.0 -3,-0.2 0.753 136.0 31.4 -87.2 -31.1 18.4 7.4 35.3 52 55 A Q < 0 0 41 -5,-1.5 -2,-0.3 -8,-0.0 -3,-0.3 -0.761 360.0 360.0-117.8 174.0 17.4 8.6 38.8 53 56 A F 0 0 245 -2,-0.3 -3,-0.1 -4,-0.2 -2,-0.0 -0.672 360.0 360.0-104.5 360.0 19.5 9.7 41.7