==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 20-JUN-11 2LEO . COMPND 2 MOLECULE: SERINE PROTEASE INHIBITOR KAZAL-TYPE 7; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.FENG,Y.GENG,J.WANG . 66 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 53.0 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 . 10 15.2 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 1.5 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 . 8 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 1 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 . 1 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 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 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 20 A S 0 0 142 0, 0.0 2,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 124.8 13.8 2.4 9.5 2 21 A E + 0 0 184 4,-0.0 2,-0.3 3,-0.0 3,-0.1 -0.834 360.0 129.4 -97.8 113.5 14.7 6.0 10.3 3 22 A A - 0 0 57 -2,-0.7 3,-0.2 1,-0.1 0, 0.0 -0.961 53.7-140.5-157.7 147.2 11.7 8.0 11.6 4 23 A A S S+ 0 0 105 1,-0.3 2,-0.7 -2,-0.3 -1,-0.1 0.914 105.9 36.7 -75.0 -44.7 11.1 10.2 14.5 5 24 A S S S- 0 0 90 -3,-0.1 2,-0.9 2,-0.1 -1,-0.3 -0.927 88.8-141.6-109.2 105.2 7.7 8.7 14.9 6 25 A L + 0 0 116 -2,-0.7 -4,-0.0 -3,-0.2 -3,-0.0 -0.595 27.7 177.1 -69.9 106.7 7.8 5.0 14.1 7 26 A S + 0 0 54 -2,-0.9 2,-1.2 2,-0.1 -1,-0.1 -0.818 12.2 177.0-121.7 86.6 4.6 4.6 12.3 8 27 A P + 0 0 111 0, 0.0 2,-0.4 0, 0.0 53,-0.1 -0.782 18.7 173.1 -89.0 91.7 4.0 1.0 10.9 9 28 A K B -A 60 0A 106 -2,-1.2 51,-0.8 51,-1.0 2,-0.4 -0.811 16.9-172.6-102.1 143.3 0.6 1.3 9.5 10 29 A K - 0 0 164 -2,-0.4 2,-0.1 49,-0.2 49,-0.0 -0.946 9.6-156.3-136.8 113.5 -1.1 -1.3 7.5 11 30 A V - 0 0 46 -2,-0.4 2,-1.1 1,-0.1 3,-0.2 -0.330 47.2 -75.1 -78.2 169.8 -4.4 -0.6 5.8 12 31 A D + 0 0 79 1,-0.2 36,-0.1 -2,-0.1 -1,-0.1 -0.580 66.7 148.6 -75.5 103.6 -6.7 -3.5 5.0 13 32 A a >> + 0 0 18 -2,-1.1 4,-2.2 2,-0.1 3,-0.7 0.485 54.2 86.6-104.3 -9.9 -5.1 -5.0 2.0 14 33 A S H 3> S+ 0 0 77 1,-0.3 4,-0.6 2,-0.2 -2,-0.1 0.879 83.9 52.8 -61.8 -43.8 -6.4 -8.4 3.1 15 34 A I H 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.800 116.4 40.6 -65.2 -24.6 -9.8 -8.0 1.4 16 35 A Y H X4 S+ 0 0 20 -3,-0.7 3,-1.9 1,-0.2 -2,-0.2 0.735 103.9 66.6 -94.1 -23.0 -8.0 -7.2 -1.9 17 36 A K H 3< S+ 0 0 137 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.607 87.5 71.5 -69.3 -15.0 -5.4 -9.9 -1.2 18 37 A K T 3< S+ 0 0 153 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.613 95.7 63.8 -74.7 -16.3 -8.3 -12.2 -1.7 19 38 A Y S < S- 0 0 83 -3,-1.9 2,-0.2 1,-0.1 5,-0.1 -0.695 105.2 -86.7-105.3 159.3 -8.1 -11.3 -5.4 20 39 A P > - 0 0 86 0, 0.0 3,-1.1 0, 0.0 -2,-0.1 -0.478 40.4-120.0 -63.1 139.2 -5.2 -12.0 -7.8 21 40 A V T 3 S+ 0 0 55 1,-0.3 3,-0.3 -2,-0.2 32,-0.1 0.767 111.7 51.1 -55.8 -30.2 -2.7 -9.1 -7.6 22 41 A V T 3 S+ 0 0 141 1,-0.3 2,-0.6 31,-0.0 -1,-0.3 0.821 115.0 42.8 -80.6 -26.1 -3.1 -8.2 -11.3 23 42 A A < + 0 0 57 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.0 -0.817 67.8 151.8-126.0 93.3 -6.9 -8.0 -11.1 24 43 A I - 0 0 20 -2,-0.6 2,-0.3 -3,-0.3 25,-0.1 -0.978 38.9-134.2-123.7 113.2 -8.1 -6.3 -8.0 25 44 A P - 0 0 77 0, 0.0 -6,-0.1 0, 0.0 -2,-0.0 -0.527 24.4-158.3 -68.1 134.4 -11.5 -4.5 -8.2 26 45 A b - 0 0 43 -2,-0.3 2,-0.1 1,-0.0 17,-0.0 -0.813 17.4-109.1-117.0 148.1 -11.4 -1.0 -6.7 27 46 A P - 0 0 50 0, 0.0 18,-0.1 0, 0.0 -1,-0.0 -0.372 26.6-119.7 -68.6 158.3 -14.2 1.2 -5.4 28 47 A I S S+ 0 0 176 -2,-0.1 2,-0.4 2,-0.1 -2,-0.0 0.298 84.3 105.6 -83.2 11.6 -15.2 4.3 -7.3 29 48 A T - 0 0 72 2,-0.0 2,-0.7 0, 0.0 0, 0.0 -0.728 64.4-144.8 -94.1 136.4 -14.3 6.4 -4.3 30 49 A Y + 0 0 161 -2,-0.4 13,-0.2 13,-0.1 12,-0.1 -0.938 26.8 164.7-105.6 116.3 -11.1 8.4 -4.4 31 50 A L - 0 0 95 11,-2.0 2,-0.1 -2,-0.7 10,-0.1 -0.923 34.1-132.0-133.5 102.8 -9.4 8.6 -1.1 32 51 A P + 0 0 39 0, 0.0 32,-2.7 0, 0.0 2,-0.3 -0.354 31.5 178.6 -61.3 126.0 -5.8 9.8 -1.3 33 52 A V E -BC 41 63A 9 8,-2.0 8,-3.2 30,-0.3 2,-0.5 -0.938 19.5-138.5-127.1 153.5 -3.5 7.5 0.7 34 53 A c E -BC 40 62A 0 28,-2.5 27,-2.9 -2,-0.3 28,-1.5 -0.956 12.6-149.0-119.1 129.0 0.2 7.7 1.2 35 54 A G E > - C 0 60A 0 4,-2.6 3,-2.1 -2,-0.5 25,-0.3 -0.510 30.2-110.4 -90.2 164.5 2.5 4.7 1.1 36 55 A S T 3 S+ 0 0 46 23,-2.5 22,-0.1 1,-0.3 24,-0.1 0.648 118.9 67.0 -66.3 -14.8 5.7 4.3 3.1 37 56 A D T 3 S- 0 0 48 22,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.410 119.9-113.1 -85.2 0.3 7.4 4.5 -0.3 38 57 A Y S < S+ 0 0 169 -3,-2.1 2,-0.5 1,-0.3 -2,-0.2 0.748 74.3 135.7 69.2 31.1 6.2 8.2 -0.3 39 58 A I - 0 0 73 -4,-0.2 -4,-2.6 27,-0.1 2,-0.4 -0.918 51.1-137.2-110.2 128.4 3.9 7.5 -3.2 40 59 A T E -B 34 0A 55 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.718 22.4-161.4 -84.1 133.3 0.4 8.9 -3.1 41 60 A Y E -B 33 0A 30 -8,-3.2 -8,-2.0 -2,-0.4 23,-0.1 -0.827 28.1-120.1-116.1 156.6 -2.3 6.4 -4.3 42 61 A G S S- 0 0 18 -2,-0.3 -11,-2.0 -10,-0.2 2,-0.3 0.759 88.0 -28.0 -65.6 -29.7 -5.9 7.0 -5.5 43 62 A N S > S- 0 0 4 -13,-0.2 4,-2.3 -10,-0.1 -1,-0.2 -0.958 72.7 -82.1-171.8 175.7 -7.3 4.8 -2.7 44 63 A E H > S+ 0 0 44 -2,-0.3 4,-3.1 1,-0.2 5,-0.1 0.820 123.1 58.0 -61.8 -34.6 -6.5 1.9 -0.5 45 64 A b H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.953 109.6 43.6 -59.2 -48.9 -7.4 -0.6 -3.2 46 65 A H H > S+ 0 0 83 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.880 114.0 51.1 -66.9 -36.9 -4.8 0.9 -5.5 47 66 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.944 109.7 50.5 -61.2 -47.4 -2.3 1.0 -2.6 48 67 A a H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 5,-0.3 0.885 105.0 56.5 -59.9 -41.6 -3.0 -2.6 -1.8 49 68 A T H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.944 115.9 36.7 -57.2 -48.4 -2.4 -3.7 -5.5 50 69 A E H X S+ 0 0 51 -4,-1.8 4,-3.1 2,-0.2 8,-0.3 0.849 113.1 59.2 -71.5 -34.4 1.1 -2.2 -5.4 51 70 A S H <>S+ 0 0 9 -4,-2.8 5,-2.8 1,-0.2 6,-0.4 0.910 113.3 37.8 -62.3 -42.7 1.6 -3.2 -1.8 52 71 A L H ><5S+ 0 0 29 -4,-2.8 3,-0.7 3,-0.2 -2,-0.2 0.897 116.1 53.9 -73.7 -40.6 1.1 -6.9 -2.8 53 72 A K H 3<5S+ 0 0 117 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.914 118.6 32.8 -62.2 -46.1 2.9 -6.5 -6.1 54 73 A S T 3<5S- 0 0 50 -4,-3.1 3,-0.5 4,-0.1 -1,-0.3 0.347 113.8-122.8 -93.6 6.1 6.0 -5.0 -4.6 55 74 A N T < 5S- 0 0 138 -3,-0.7 -3,-0.2 1,-0.2 -4,-0.1 0.960 75.0 -31.4 48.4 71.9 5.5 -7.2 -1.5 56 75 A G S