==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEINASE INHIBITOR 01-JUL-02 1H0Z . COMPND 2 MOLECULE: SERINE PROTEASE INHIBITOR KAZAL-TYPE 5, CONTAINS . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.LAUBER,P.ROESCH,U.C.MARX . 68 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 54.4 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 2.9 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 . 1 1.5 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 . 4 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 25.0 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 0 0 0 0 0 1 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 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 E 0 0 251 0, 0.0 2,-0.4 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 81.5 2.8 10.6 3.4 2 2 A S + 0 0 124 2,-0.1 2,-0.1 3,-0.0 0, 0.0 -0.955 360.0 9.5-124.9 142.6 1.8 8.1 6.1 3 3 A G S S- 0 0 72 -2,-0.4 2,-0.2 2,-0.0 0, 0.0 -0.479 103.8 -38.3 90.0-165.5 4.0 5.8 8.2 4 4 A K - 0 0 184 -2,-0.1 -2,-0.1 1,-0.1 3,-0.0 -0.557 57.7-106.0 -94.2 162.3 7.8 6.0 8.2 5 5 A A - 0 0 107 -2,-0.2 -1,-0.1 -4,-0.1 -3,-0.0 0.833 57.0-171.3 -56.1 -28.4 10.0 6.7 5.2 6 6 A T - 0 0 82 1,-0.1 2,-0.4 4,-0.0 3,-0.1 0.213 17.0-113.1 54.6 169.9 10.9 3.0 5.3 7 7 A S >> - 0 0 49 1,-0.2 4,-3.8 -3,-0.0 3,-2.1 -0.985 4.4-132.7-143.0 131.3 13.7 1.7 3.0 8 8 A Y H 3>>S+ 0 0 103 -2,-0.4 4,-1.7 1,-0.3 5,-1.0 0.948 109.4 59.1 -45.2 -59.3 13.6 -0.7 0.0 9 9 A A H 345S+ 0 0 35 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.806 119.6 32.7 -43.2 -26.5 16.5 -2.8 1.3 10 10 A E H <45S+ 0 0 140 -3,-2.1 4,-0.5 2,-0.1 -2,-0.3 0.782 124.2 44.0-100.5 -35.0 14.2 -3.2 4.3 11 11 A L H ><5S+ 0 0 79 -4,-3.8 3,-1.0 1,-0.2 -3,-0.2 0.983 119.7 39.1 -73.6 -59.4 10.9 -3.2 2.6 12 12 A a G ><5S+ 0 0 1 -4,-1.7 3,-3.6 1,-0.2 4,-0.5 0.681 92.5 97.7 -65.0 -12.3 11.7 -5.4 -0.4 13 13 A N G >> S+ 0 0 29 -3,-3.6 4,-1.8 -4,-0.2 3,-1.2 0.503 82.6 86.4 -94.9 -2.2 11.4 -10.6 -1.2 16 16 A R T <4 S+ 0 0 98 -3,-3.7 -1,-0.2 -4,-0.5 -2,-0.2 0.841 80.7 63.0 -66.3 -28.3 15.1 -11.4 -0.7 17 17 A K T 3< S+ 0 0 175 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.1 0.741 107.3 44.5 -68.4 -17.8 14.0 -15.0 0.0 18 18 A L T <4 S+ 0 0 47 -3,-1.2 2,-0.6 -4,-0.1 -2,-0.2 0.813 93.2 86.6 -93.6 -35.4 12.7 -15.1 -3.6 19 19 A V < + 0 0 23 -4,-1.8 5,-0.3 1,-0.1 -1,-0.0 -0.514 55.0 176.8 -68.5 113.2 15.7 -13.5 -5.3 20 20 A R S S- 0 0 202 3,-1.7 -1,-0.1 -2,-0.6 4,-0.1 0.892 73.8 -7.5 -82.2 -89.1 18.2 -16.3 -6.0 21 21 A N S S- 0 0 125 2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.206 132.5 -52.0-102.5 44.1 21.3 -15.0 -7.9 22 22 A G S S+ 0 0 16 1,-0.2 2,-0.6 -2,-0.1 34,-0.2 0.466 113.7 112.7 102.7 2.7 19.9 -11.5 -8.4 23 23 A K - 0 0 138 -5,-0.1 -3,-1.7 2,-0.0 2,-0.3 -0.898 48.0-165.9-112.7 111.0 16.6 -12.7 -10.0 24 24 A L + 0 0 3 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.1 -0.685 17.6 155.9 -94.0 147.6 13.5 -12.0 -7.9 25 25 A A + 0 0 55 -2,-0.3 2,-0.2 -10,-0.2 -2,-0.0 -0.872 5.8 161.9-169.6 133.4 10.2 -13.7 -8.6 26 26 A b - 0 0 44 1,-0.4 -11,-0.0 -2,-0.3 17,-0.0 -0.738 47.0 -55.8-140.6-170.0 7.0 -14.5 -6.7 27 27 A T - 0 0 93 -2,-0.2 2,-0.7 1,-0.1 -1,-0.4 0.172 66.5 -88.6 -58.4-170.3 3.3 -15.5 -7.2 28 28 A R - 0 0 199 15,-0.1 -1,-0.1 17,-0.0 0, 0.0 -0.464 49.7-167.3-103.8 63.2 1.1 -13.2 -9.3 29 29 A E - 0 0 94 -2,-0.7 2,-0.7 1,-0.1 -3,-0.0 -0.110 19.9-133.4 -47.1 145.1 -0.2 -10.9 -6.6 30 30 A N S S+ 0 0 148 1,-0.1 -1,-0.1 13,-0.1 13,-0.1 -0.458 74.4 95.7-102.7 63.1 -3.2 -8.8 -7.8 31 31 A D - 0 0 95 -2,-0.7 -1,-0.1 11,-0.4 -2,-0.1 -0.560 57.3-158.6-152.4 83.3 -2.1 -5.3 -6.5 32 32 A P + 0 0 92 0, 0.0 2,-0.2 0, 0.0 10,-0.2 -0.337 24.0 165.3 -62.3 138.0 -0.3 -3.1 -9.0 33 33 A I - 0 0 39 8,-0.5 8,-2.1 10,-0.3 2,-0.3 -0.692 31.8 -97.8-139.1-167.4 1.8 -0.4 -7.3 34 34 A Q B -A 40 0A 146 6,-0.2 6,-0.2 -2,-0.2 13,-0.0 -0.795 26.6-147.7-118.2 163.1 4.6 2.1 -8.1 35 35 A G > - 0 0 12 4,-2.1 3,-1.6 -2,-0.3 4,-0.2 -0.654 40.2 -87.7-121.1 180.0 8.4 2.0 -7.5 36 36 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.0 0, 0.0 11,-0.0 0.698 122.3 67.8 -61.7 -18.2 11.1 4.6 -6.8 37 37 A D T 3 S- 0 0 84 2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.229 114.7-115.1 -87.5 18.2 11.4 5.1 -10.6 38 38 A G S < S+ 0 0 72 -3,-1.6 2,-0.3 1,-0.2 -1,-0.1 0.761 81.1 124.1 57.4 19.4 8.0 6.7 -10.6 39 39 A K - 0 0 136 -4,-0.2 -4,-2.1 8,-0.0 -1,-0.2 -0.820 61.2-123.3-111.4 152.1 7.0 3.7 -12.7 40 40 A V B -A 34 0A 88 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.548 25.9-163.0 -89.9 158.3 4.2 1.2 -12.1 41 41 A H - 0 0 21 -8,-2.1 -8,-0.5 -2,-0.2 3,-0.1 -0.800 29.6-110.2-132.4 175.9 4.8 -2.6 -11.8 42 42 A G S S- 0 0 47 -2,-0.2 -11,-0.4 -10,-0.2 2,-0.2 0.986 92.1 -12.0 -73.3 -59.6 2.7 -5.8 -11.9 43 43 A N S > S- 0 0 20 -11,-0.1 4,-1.2 -13,-0.1 -10,-0.3 -0.576 82.3 -84.4-127.6-167.6 3.0 -6.9 -8.3 44 44 A T H > S+ 0 0 41 -2,-0.2 4,-1.1 2,-0.2 5,-0.1 0.851 125.2 53.6 -72.7 -31.4 5.0 -5.9 -5.2 45 45 A b H >> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 3,-1.2 0.974 100.7 57.8 -68.1 -51.2 7.9 -8.2 -6.2 46 46 A S H 3> S+ 0 0 26 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.911 107.5 49.7 -45.1 -42.8 8.2 -6.7 -9.7 47 47 A M H 3X S+ 0 0 12 -4,-1.2 4,-0.9 1,-0.2 -1,-0.3 0.853 114.4 44.8 -66.1 -30.5 8.8 -3.4 -7.8 48 48 A a H X S+ 0 0 111 -4,-3.1 3,-2.7 1,-0.2 4,-0.8 0.974 101.8 54.1 -58.2 -54.0 18.6 -6.0 -10.0 54 54 A A H >X S+ 0 0 62 -4,-2.1 4,-0.9 1,-0.3 3,-0.9 0.876 104.4 57.2 -49.4 -35.9 20.6 -2.9 -9.3 55 55 A E H 3X S+ 0 0 58 -4,-1.3 4,-0.9 1,-0.2 -1,-0.3 0.742 93.0 70.0 -69.5 -18.5 22.1 -4.8 -6.4 56 56 A E H << S+ 0 0 75 -3,-2.7 4,-0.3 -4,-0.8 -1,-0.2 0.853 91.9 58.5 -67.9 -31.0 23.3 -7.4 -8.8 57 57 A E H X< S+ 0 0 108 -3,-0.9 3,-3.2 -4,-0.8 4,-0.4 0.958 96.8 59.1 -64.4 -48.3 25.8 -5.0 -10.3 58 58 A E H >< S+ 0 0 135 -4,-0.9 3,-0.9 1,-0.3 -1,-0.2 0.874 103.0 54.7 -49.5 -35.5 27.6 -4.5 -6.9 59 59 A K T 3< S+ 0 0 158 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.631 79.3 97.0 -74.9 -9.6 28.2 -8.2 -7.0 60 60 A K T < + 0 0 114 -3,-3.2 -1,-0.2 -4,-0.3 2,-0.2 0.878 65.9 85.3 -47.1 -37.6 29.9 -7.8 -10.4 61 61 A K S < S- 0 0 157 -3,-0.9 2,-0.3 -4,-0.4 0, 0.0 -0.462 77.5-143.2 -68.2 132.4 33.2 -7.8 -8.6 62 62 A K - 0 0 151 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.718 16.3-126.7 -97.7 148.5 34.5 -11.3 -8.0 63 63 A E S S- 0 0 211 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.725 89.1 -23.2 -64.9 -16.5 36.4 -12.3 -4.8 64 64 A G S S- 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.955 89.7 -57.8-171.4-172.4 39.2 -13.6 -7.1 65 65 A E > - 0 0 120 -2,-0.3 3,-0.9 1,-0.1 -2,-0.0 -0.661 37.3-131.9 -87.5 140.4 39.9 -14.8 -10.6 66 66 A S T 3 S+ 0 0 101 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.737 108.5 59.7 -62.5 -17.6 38.0 -17.9 -11.9 67 67 A R T 3 0 0 202 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.828 360.0 360.0 -80.6 -30.5 41.4 -19.3 -13.0 68 68 A N < 0 0 206 -3,-0.9 -1,-0.2 0, 0.0 -2,-0.1 -0.196 360.0 360.0 44.0 360.0 42.8 -19.3 -9.4