==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEINASE INHIBITOR 18-DEC-03 1UUC . COMPND 2 MOLECULE: SERINE PROTEASE INHIBITOR KAZAL-TYPE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.TIDOW,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) . 4698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 50 90.9 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 . 5 9.1 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 1.8 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 . 6 10.9 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 . 24 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.6 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 1 0 0 0 1 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 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 . 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 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 0 195 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 179.2 -7.9 12.4 -2.2 2 2 A N H >> + 0 0 123 1,-0.3 3,-1.0 2,-0.2 4,-0.9 0.867 360.0 62.7 -56.8 -32.6 -10.4 14.0 0.2 3 3 A E H >> S+ 0 0 111 1,-0.3 4,-1.1 2,-0.2 3,-0.7 0.873 92.5 63.7 -62.1 -33.0 -13.1 13.6 -2.6 4 4 A D H <> S+ 0 0 27 -3,-1.2 4,-0.8 1,-0.3 -1,-0.3 0.845 96.0 59.2 -60.9 -29.3 -12.6 9.8 -2.3 5 5 A Q H XX S+ 0 0 102 -3,-1.0 4,-1.0 -4,-0.8 3,-0.5 0.861 94.5 64.0 -68.8 -32.1 -13.9 10.1 1.3 6 6 A E H XX S+ 0 0 116 -4,-0.9 3,-1.1 -3,-0.7 4,-0.9 0.928 97.4 55.4 -58.2 -42.3 -17.2 11.5 -0.0 7 7 A M H 3X S+ 0 0 21 -4,-1.1 4,-1.2 1,-0.3 -1,-0.3 0.851 104.3 54.8 -60.5 -30.3 -17.9 8.3 -1.8 8 8 A a H +A 19 0A 118 3,-3.1 3,-3.2 -2,-0.3 -2,-0.0 -0.999 58.8 6.0-146.4 148.3 -22.9 -2.0 9.9 17 17 A N T 3 S- 0 0 168 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.848 132.6 -58.2 50.4 30.7 -21.2 -4.1 12.5 18 18 A G T 3 S+ 0 0 51 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.706 118.7 118.5 73.7 15.7 -17.9 -2.7 11.1 19 19 A K E < -A 16 0A 114 -3,-3.2 -3,-3.1 -5,-0.0 2,-0.9 -0.860 65.8-129.9-115.0 150.6 -19.0 -4.1 7.7 20 20 A L E -A 15 0A 9 -2,-0.3 2,-2.0 -5,-0.3 -5,-0.2 -0.811 14.7-167.9-101.8 102.2 -19.7 -2.2 4.5 21 21 A F - 0 0 87 -7,-1.8 -6,-0.1 -2,-0.9 -1,-0.1 -0.337 15.4-173.4 -83.5 59.9 -23.0 -3.4 3.0 22 22 A b - 0 0 45 -2,-2.0 -11,-0.1 16,-0.1 19,-0.1 -0.396 10.2-154.2 -59.8 110.1 -22.3 -1.6 -0.3 23 23 A P - 0 0 53 0, 0.0 2,-0.8 0, 0.0 18,-0.1 -0.251 28.6 -86.5 -79.7 170.6 -25.6 -2.0 -2.2 24 24 A Q - 0 0 192 -2,-0.0 2,-0.5 4,-0.0 3,-0.1 -0.685 42.7-151.3 -82.6 113.6 -25.9 -2.0 -6.0 25 25 A D - 0 0 77 -2,-0.8 4,-0.1 1,-0.2 -3,-0.0 -0.714 11.3-142.7 -86.9 127.5 -26.3 1.6 -7.1 26 26 A K S S+ 0 0 206 -2,-0.5 -1,-0.2 1,-0.1 -2,-0.0 0.856 93.1 66.6 -56.8 -31.0 -28.3 2.1 -10.4 27 27 A K S S- 0 0 160 -3,-0.1 2,-0.2 10,-0.0 -1,-0.1 -0.814 85.6-143.5 -97.4 109.5 -25.8 4.8 -11.3 28 28 A P - 0 0 100 0, 0.0 2,-0.3 0, 0.0 9,-0.1 -0.440 14.4-156.3 -70.3 138.0 -22.3 3.4 -11.8 29 29 A I - 0 0 51 -2,-0.2 2,-0.8 -4,-0.1 8,-0.6 -0.828 16.3-122.2-115.0 155.6 -19.4 5.6 -10.6 30 30 A Q B -B 36 0B 179 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.832 28.2-157.0 -99.4 111.1 -15.8 5.5 -11.8 31 31 A S - 0 0 16 4,-1.1 3,-0.2 -2,-0.8 7,-0.1 -0.433 14.7-144.2 -81.9 160.8 -13.4 4.8 -8.9 32 32 A L S S+ 0 0 111 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 0.562 89.0 81.0-100.4 -10.5 -9.7 5.9 -9.0 33 33 A D S S- 0 0 88 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.582 121.4 -94.6 -71.8 -4.7 -8.4 2.9 -7.1 34 34 A G S S+ 0 0 72 1,-0.4 2,-0.3 -3,-0.2 -2,-0.1 0.541 96.0 104.8 103.2 9.0 -8.6 1.0 -10.5 35 35 A I S S- 0 0 58 2,-0.1 -4,-1.1 3,-0.0 2,-0.8 -0.787 72.9-117.1-118.5 164.2 -12.1 -0.5 -9.9 36 36 A M B S-B 30 0B 158 -2,-0.3 2,-4.1 -6,-0.2 -6,-0.2 -0.836 77.6 -52.4-104.9 103.7 -15.5 0.5 -11.3 37 37 A F S > S+ 0 0 23 -2,-0.8 3,-3.1 -8,-0.6 4,-0.5 -0.199 126.7 87.4 66.1 -59.3 -17.9 1.7 -8.5 38 38 A I T >> S+ 0 0 106 -2,-4.1 3,-1.5 1,-0.3 4,-1.4 0.803 72.2 77.6 -40.6 -27.9 -17.1 -1.5 -6.5 39 39 A N H 3>>S+ 0 0 1 1,-0.3 4,-4.5 2,-0.2 5,-0.5 0.911 76.6 71.1 -52.3 -41.8 -14.2 0.6 -5.2 40 40 A K H <>>S+ 0 0 17 -3,-3.1 4,-2.0 1,-0.3 5,-0.6 0.890 102.8 43.7 -43.4 -41.1 -16.7 2.4 -2.9 41 41 A b H <>5S+ 0 0 25 -3,-1.5 4,-0.9 -4,-0.5 -1,-0.3 0.900 119.5 41.0 -73.8 -39.2 -16.8 -0.9 -0.9 42 42 A A H X5S+ 0 0 41 -4,-1.4 4,-0.6 3,-0.1 -2,-0.2 0.769 126.9 35.2 -80.1 -23.5 -13.0 -1.4 -1.1 43 43 A T H X5S+ 0 0 18 -4,-4.5 4,-2.0 -5,-0.2 5,-0.2 0.896 118.7 46.0 -94.0 -54.5 -12.3 2.3 -0.4 44 44 A a H XX S+ 0 0 100 -4,-1.7 3,-1.0 -5,-0.3 4,-0.9 0.877 96.5 65.7 -75.1 -35.5 -12.3 1.6 9.6 50 50 A K H >X S+ 0 0 136 -4,-1.1 3,-1.0 1,-0.3 4,-0.6 0.901 96.8 56.9 -53.6 -38.6 -10.1 4.7 10.1 51 51 A E H >X S+ 0 0 101 -4,-0.8 3,-1.1 1,-0.3 4,-0.5 0.860 96.8 63.2 -62.9 -31.3 -12.9 6.3 12.2 52 52 A A H X< S+ 0 0 48 -3,-1.0 3,-1.2 -4,-0.6 -1,-0.3 0.821 89.8 68.6 -63.8 -26.6 -12.7 3.2 14.5 53 53 A K H << S+ 0 0 163 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.864 87.5 65.7 -61.6 -31.9 -9.2 4.3 15.3 54 54 A S H << 0 0 109 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.829 360.0 360.0 -60.5 -27.3 -10.7 7.3 17.1 55 55 A Q << 0 0 220 -3,-1.2 -3,-0.0 -4,-0.5 0, 0.0 0.137 360.0 360.0 -64.7 360.0 -12.2 4.8 19.6