==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PUTATIVE SERINE PROTEINASE INHIBITOR 16-NOV-00 1HDL . COMPND 2 MOLECULE: SERINE PROTEINASE INHIBITOR LEKTI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.LAUBER,P.ROESCH,U.C.MARX . 55 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4845.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 83.6 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 . 2 3.6 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 . 1 1.8 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 . 7 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 40.0 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 1 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 . 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 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 K 0 0 235 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -53.9 -24.9 16.7 25.9 2 2 A N >> - 0 0 116 1,-0.1 3,-1.3 2,-0.0 4,-0.9 -0.483 360.0-125.9 -78.5 150.3 -24.4 14.7 22.7 3 3 A E T 34 S+ 0 0 122 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.586 101.8 82.3 -71.9 -5.1 -21.1 15.1 20.8 4 4 A D T 34 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.486 100.3 35.9 -77.9 1.7 -23.2 15.9 17.7 5 5 A Q T <4 S+ 0 0 157 -3,-1.3 -2,-0.2 2,-0.0 -1,-0.2 0.626 133.4 20.8-122.4 -30.4 -23.5 19.5 19.1 6 6 A E < + 0 0 106 -4,-0.9 -2,-0.2 1,-0.1 6,-0.1 -0.317 63.0 163.1-136.5 53.9 -20.1 20.1 20.7 7 7 A M S S+ 0 0 73 -4,-0.4 2,-1.0 1,-0.2 -1,-0.1 0.867 72.6 64.0 -41.5 -39.8 -17.7 17.6 19.1 8 8 A a + 0 0 15 1,-0.2 -1,-0.2 36,-0.1 33,-0.0 -0.746 58.2 147.2 -91.6 103.6 -14.9 19.8 20.4 9 9 A H S S+ 0 0 71 -2,-1.0 4,-0.4 3,-0.1 -1,-0.2 0.840 79.1 22.6-101.6 -48.7 -15.0 19.8 24.2 10 10 A E S > S+ 0 0 133 2,-0.1 3,-0.7 1,-0.1 4,-0.3 0.856 124.2 52.4 -87.9 -37.3 -11.4 20.1 25.3 11 11 A F G > S+ 0 0 0 1,-0.2 3,-3.1 2,-0.2 4,-0.1 0.809 89.7 80.6 -69.4 -25.8 -10.0 21.7 22.2 12 12 A Q G > S+ 0 0 90 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.926 86.8 57.5 -46.5 -45.5 -12.7 24.3 22.4 13 13 A A G < S+ 0 0 76 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.756 97.3 64.4 -58.9 -18.8 -10.5 26.1 24.9 14 14 A F G < S+ 0 0 43 -3,-3.1 7,-2.1 -4,-0.3 2,-0.7 0.310 80.1 103.4 -87.3 12.0 -7.9 26.1 22.2 15 15 A M B < -A 20 0A 93 -3,-2.4 2,-1.1 5,-0.2 5,-0.3 -0.829 55.7-162.7 -98.8 118.0 -10.1 28.4 20.0 16 16 A K S S- 0 0 122 3,-4.2 3,-0.5 -2,-0.7 4,-0.1 -0.693 75.7 -43.9 -98.9 86.0 -8.9 32.0 20.0 17 17 A N S S- 0 0 146 -2,-1.1 -1,-0.2 1,-0.2 3,-0.1 0.963 129.5 -28.4 59.4 52.1 -12.0 33.9 18.7 18 18 A G S S+ 0 0 72 1,-0.2 2,-0.8 -3,-0.0 -1,-0.2 0.347 117.7 114.9 91.7 -8.8 -12.8 31.4 15.9 19 19 A K - 0 0 109 -3,-0.5 -3,-4.2 2,-0.0 2,-0.9 -0.825 49.5-163.8 -99.6 111.6 -9.1 30.4 15.6 20 20 A L B -A 15 0A 25 -2,-0.8 2,-1.5 -5,-0.3 -5,-0.2 -0.775 4.4-171.3 -95.6 103.6 -8.4 26.8 16.7 21 21 A F + 0 0 54 -7,-2.1 -1,-0.1 -2,-0.9 -6,-0.1 -0.429 19.3 160.8 -90.7 65.4 -4.7 26.4 17.3 22 22 A b + 0 0 3 -2,-1.5 2,-2.0 1,-0.2 3,-0.3 0.914 56.4 81.2 -51.0 -46.9 -4.8 22.6 17.7 23 23 A P + 0 0 104 0, 0.0 -1,-0.2 0, 0.0 15,-0.0 -0.385 64.4 110.0 -63.8 84.4 -1.0 22.3 17.0 24 24 A Q S S- 0 0 107 -2,-2.0 2,-0.3 0, 0.0 3,-0.1 0.550 86.8 -13.4-121.7 -83.9 0.1 23.2 20.6 25 25 A D > + 0 0 57 -3,-0.3 3,-1.3 1,-0.1 -3,-0.0 -0.566 59.5 162.7-126.6 71.0 1.7 20.5 22.8 26 26 A K G > + 0 0 97 -2,-0.3 3,-4.1 1,-0.3 4,-0.2 0.620 49.0 107.8 -65.0 -7.0 1.1 17.1 21.1 27 27 A K G > + 0 0 160 1,-0.3 3,-2.4 2,-0.2 -1,-0.3 0.809 58.3 81.6 -41.8 -27.2 3.9 15.8 23.3 28 28 A F G X + 0 0 88 -3,-1.3 3,-3.7 1,-0.3 7,-0.6 0.764 63.0 92.6 -53.6 -19.5 0.9 14.1 25.1 29 29 A F G < + 0 0 122 -3,-4.1 -1,-0.3 5,-0.4 6,-0.2 0.791 69.1 74.0 -46.9 -24.2 1.2 11.5 22.3 30 30 A Q G < S+ 0 0 182 -3,-2.4 -1,-0.3 -4,-0.2 2,-0.3 0.588 100.5 49.2 -68.8 -5.0 3.5 9.7 24.8 31 31 A S S <> S- 0 0 70 -3,-3.7 4,-3.3 1,-0.1 5,-0.2 -0.871 89.4-114.6-130.1 165.1 0.3 8.8 26.8 32 32 A L H > S+ 0 0 125 -2,-0.3 4,-3.0 2,-0.2 5,-0.2 0.970 117.2 49.8 -64.6 -50.8 -3.1 7.3 25.9 33 33 A D H > S+ 0 0 130 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.917 115.4 45.5 -55.2 -39.6 -5.0 10.5 26.8 34 34 A G H > S+ 0 0 4 -6,-0.5 4,-2.9 2,-0.2 5,-0.4 0.964 110.4 51.9 -69.0 -48.8 -2.6 12.4 24.6 35 35 A I H X S+ 0 0 49 -4,-3.3 4,-1.2 -7,-0.6 -2,-0.2 0.891 116.0 44.2 -55.1 -35.4 -2.8 9.8 21.8 36 36 A M H >X S+ 0 0 111 -4,-3.0 4,-2.3 -5,-0.2 3,-0.8 0.990 114.6 43.4 -74.1 -65.1 -6.5 10.2 22.0 37 37 A F H 3X S+ 0 0 23 -4,-2.8 4,-2.4 1,-0.3 3,-0.3 0.943 113.3 54.7 -46.1 -50.5 -6.8 14.0 22.2 38 38 A I H 3X S+ 0 0 15 -4,-2.9 4,-1.3 -5,-0.3 5,-0.3 0.908 107.6 50.5 -51.4 -39.4 -4.2 14.3 19.5 39 39 A N H X S+ 0 0 66 -4,-0.7 4,-1.5 -5,-0.3 3,-0.6 0.957 107.4 53.0 -80.0 -53.6 -10.3 16.2 13.7 44 44 A a H 3X S+ 0 0 2 -4,-4.1 4,-0.9 1,-0.2 -2,-0.2 0.816 105.1 61.5 -52.2 -26.1 -11.7 18.8 16.1 45 45 A K H >X S+ 0 0 98 -4,-2.3 4,-1.4 -5,-0.2 3,-1.0 0.958 101.1 48.1 -67.7 -48.3 -9.9 21.3 13.8 46 46 A M H X S+ 0 0 96 -4,-1.4 4,-0.6 1,-0.3 3,-0.5 0.812 95.3 64.6 -56.5 -25.7 -13.7 24.7 9.2 50 50 A K H >X S+ 0 0 94 -4,-1.3 3,-1.1 1,-0.2 4,-0.8 0.878 93.3 59.1 -67.0 -34.5 -17.3 23.3 8.6 51 51 A E H