==== 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 20-JAN-04 1UVF . COMPND 2 MOLECULE: SERINE PROTEINASE INHIBITOR KAZAL TYPE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.VITZITHUM,P.ROESCH,U.C.MARX . 59 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 52.5 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 . 11 18.6 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 . 2 3.4 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 . 3 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 20.3 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 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 0 2 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 1 A D >> 0 0 87 0, 0.0 3,-3.8 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 174.2 1.8 -26.3 3.2 2 2 A S H >> + 0 0 7 1,-0.3 3,-1.9 48,-0.2 4,-1.0 0.807 360.0 84.8 -45.8 -25.3 5.6 -26.4 3.5 3 3 A E H 34 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.821 87.2 53.9 -49.7 -25.3 4.9 -30.1 4.4 4 4 A M H X4 S+ 0 0 128 -3,-3.8 3,-0.9 1,-0.2 -1,-0.3 0.806 102.7 55.0 -79.9 -27.4 5.0 -30.5 0.6 5 5 A a H X< S+ 0 0 24 -3,-1.9 3,-0.9 -4,-0.5 -1,-0.2 0.576 81.4 92.4 -80.2 -6.8 8.4 -28.8 0.4 6 6 A K T 3< S+ 0 0 172 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.1 0.810 107.2 13.0 -57.7 -25.6 9.7 -31.5 2.9 7 7 A D T < S+ 0 0 147 -3,-0.9 -1,-0.3 -4,-0.2 2,-0.3 -0.380 97.9 117.8-149.8 66.9 10.7 -33.5 -0.1 8 8 A Y < - 0 0 84 -3,-0.9 2,-0.3 2,-0.0 -3,-0.1 -0.803 39.1-154.6-127.3 171.0 10.7 -31.5 -3.4 9 9 A R - 0 0 185 -2,-0.3 2,-0.3 6,-0.1 8,-0.2 -0.987 5.6-168.0-145.4 155.6 13.3 -30.5 -5.9 10 10 A V - 0 0 42 -2,-0.3 6,-0.2 6,-0.1 -2,-0.0 -0.939 8.9-178.5-148.6 122.8 13.8 -27.7 -8.5 11 11 A L B > -A 15 0A 73 4,-0.6 4,-2.6 -2,-0.3 -2,-0.0 -0.637 43.2-101.6-114.6 175.7 16.5 -27.5 -11.2 12 12 A P T 4 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.795 125.3 30.8 -67.6 -28.1 17.3 -24.8 -13.9 13 13 A R T 4 S+ 0 0 246 2,-0.1 0, 0.0 1,-0.0 0, 0.0 0.712 128.1 40.9-101.5 -26.3 15.5 -26.8 -16.6 14 14 A I T 4 S+ 0 0 101 1,-0.1 2,-0.0 3,-0.0 -5,-0.0 0.872 81.6 172.1 -88.5 -41.2 12.9 -28.4 -14.3 15 15 A G B < -A 11 0A 23 -4,-2.6 -4,-0.6 2,-0.1 2,-0.3 -0.374 52.5 -28.9 66.0-144.7 12.1 -25.3 -12.2 16 16 A Y - 0 0 44 -6,-0.2 2,-0.5 -8,-0.0 -6,-0.1 -0.719 57.1-138.8-104.7 157.7 9.1 -25.8 -9.8 17 17 A L + 0 0 151 -2,-0.3 -2,-0.1 -8,-0.2 -8,-0.0 -0.946 30.6 160.5-119.4 119.5 6.1 -28.1 -10.4 18 18 A b - 0 0 47 -2,-0.5 -2,-0.0 20,-0.0 17,-0.0 -0.949 38.6-102.7-135.5 157.0 2.6 -26.8 -9.5 19 19 A P - 0 0 73 0, 0.0 19,-0.1 0, 0.0 18,-0.0 -0.179 24.7-124.8 -70.9 167.4 -1.0 -27.8 -10.5 20 20 A K S S+ 0 0 212 2,-0.1 2,-0.5 15,-0.0 15,-0.0 0.646 83.1 101.3 -89.6 -13.9 -3.0 -25.8 -13.0 21 21 A D S S- 0 0 99 1,-0.1 2,-0.7 2,-0.0 0, 0.0 -0.562 72.5-138.3 -72.3 121.3 -5.9 -25.3 -10.5 22 22 A L + 0 0 103 -2,-0.5 13,-0.2 13,-0.1 -2,-0.1 -0.696 29.2 172.2 -84.0 114.9 -5.6 -21.8 -9.0 23 23 A K - 0 0 112 -2,-0.7 2,-0.3 33,-0.0 10,-0.1 -0.912 26.0-139.7-128.4 107.4 -6.3 -21.9 -5.3 24 24 A P - 0 0 27 0, 0.0 32,-1.9 0, 0.0 2,-0.3 -0.451 26.0-175.5 -66.0 121.1 -5.6 -18.7 -3.3 25 25 A V E -BC 33 55B 9 8,-2.6 8,-2.1 -2,-0.3 33,-0.4 -0.855 22.7-122.8-118.2 156.1 -4.0 -19.5 0.1 26 26 A c E -BC 32 54B 4 28,-3.0 27,-3.6 -2,-0.3 28,-0.6 -0.756 23.0-133.9 -97.1 142.2 -3.1 -17.2 3.0 27 27 A G E >> -BC 31 52B 0 4,-4.4 3,-1.8 -2,-0.4 4,-0.6 -0.769 7.6-138.4 -96.5 138.4 0.5 -17.0 4.2 28 28 A D T 34 S+ 0 0 68 23,-2.3 -1,-0.1 -2,-0.4 24,-0.1 0.708 103.2 68.7 -66.5 -15.1 1.2 -17.2 8.0 29 29 A D T 34 S- 0 0 85 22,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.370 129.1 -94.7 -84.6 8.8 3.8 -14.4 7.3 30 30 A G T <4 S+ 0 0 63 -3,-1.8 2,-0.2 1,-0.3 -2,-0.2 0.773 94.7 108.6 85.7 25.8 0.9 -12.0 6.6 31 31 A Q E < -B 27 0B 72 -4,-0.6 -4,-4.4 2,-0.0 2,-0.4 -0.730 58.7-135.0-125.7 177.2 1.1 -12.6 2.8 32 32 A T E -B 26 0B 53 -6,-0.3 2,-0.5 -2,-0.2 -6,-0.2 -0.997 6.7-157.1-138.0 138.4 -1.1 -14.4 0.3 33 33 A Y E -B 25 0B 4 -8,-2.1 -8,-2.6 -2,-0.4 6,-0.2 -0.948 12.0-146.3-118.2 121.1 -0.1 -16.8 -2.6 34 34 A N S S+ 0 0 85 -2,-0.5 -9,-0.2 -10,-0.2 -1,-0.2 0.955 87.3 34.2 -46.7 -78.2 -2.4 -17.2 -5.5 35 35 A N S S- 0 0 7 -11,-0.2 4,-0.4 -13,-0.2 -13,-0.1 -0.555 81.3-132.6 -81.5 146.9 -1.7 -20.9 -6.3 36 36 A P S >> S+ 0 0 37 0, 0.0 3,-1.9 0, 0.0 4,-0.8 0.961 109.0 44.0 -63.3 -53.1 -1.0 -23.3 -3.3 37 37 A b H 3> S+ 0 0 13 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.851 104.6 66.8 -62.9 -27.6 2.1 -24.9 -4.8 38 38 A M H 3> S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.746 89.8 68.1 -64.5 -17.5 3.1 -21.4 -5.9 39 39 A L H <> S+ 0 0 3 -3,-1.9 4,-1.7 -4,-0.4 -1,-0.2 0.984 100.3 43.1 -66.4 -54.8 3.5 -20.8 -2.1 40 40 A a H X S+ 0 0 9 -4,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.845 111.0 61.4 -60.1 -27.4 6.5 -23.1 -1.8 41 41 A H H >X S+ 0 0 71 -4,-1.4 4,-1.3 2,-0.2 3,-0.9 0.990 105.8 41.4 -63.1 -57.4 7.7 -21.4 -5.0 42 42 A E H 3X S+ 0 0 58 -4,-2.5 4,-2.0 1,-0.3 5,-0.3 0.794 114.5 56.4 -61.3 -21.3 7.8 -18.0 -3.5 43 43 A N H 3X S+ 0 0 8 -4,-1.7 4,-3.1 -5,-0.2 6,-0.4 0.798 96.7 62.3 -79.9 -26.9 9.3 -19.8 -0.5 44 44 A L H << S+ 0 0 50 -4,-1.7 -2,-0.2 -3,-0.9 -1,-0.2 0.899 111.9 37.2 -65.7 -36.8 12.1 -21.3 -2.7 45 45 A I H < S+ 0 0 130 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.938 126.5 36.5 -80.1 -48.6 13.4 -17.7 -3.4 46 46 A R H < S- 0 0 132 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.906 88.1-157.3 -70.8 -39.4 12.7 -16.3 0.1 47 47 A Q < + 0 0 156 -4,-3.1 -3,-0.1 -5,-0.3 -4,-0.1 0.918 51.2 127.1 64.0 40.7 13.7 -19.6 1.8 48 48 A T S S- 0 0 72 -5,-0.3 -1,-0.1 2,-0.0 -4,-0.1 0.345 73.3-123.2-108.9 5.4 11.7 -18.6 4.9 49 49 A N - 0 0 90 -6,-0.4 2,-0.2 1,-0.1 -47,-0.1 0.976 38.3-167.3 52.7 59.3 9.6 -21.9 5.0 50 50 A T - 0 0 0 -11,-0.2 2,-0.2 -10,-0.1 -48,-0.2 -0.565 1.9-157.8 -79.4 141.7 6.3 -20.0 4.9 51 51 A H - 0 0 73 -2,-0.2 -23,-2.3 -50,-0.1 2,-0.5 -0.717 28.6 -90.6-114.1 167.7 3.2 -22.1 5.7 52 52 A I E -C 27 0B 39 -2,-0.2 -25,-0.3 -25,-0.2 3,-0.1 -0.640 30.1-167.6 -80.2 127.3 -0.5 -21.6 4.7 53 53 A R E S- 0 0 184 -27,-3.6 2,-0.3 -2,-0.5 -26,-0.2 0.906 70.3 -19.3 -80.0 -42.2 -2.3 -19.5 7.4 54 54 A S E S-C 26 0B 73 -28,-0.6 -28,-3.0 2,-0.2 -1,-0.3 -0.989 76.9 -89.3-160.4 156.2 -5.8 -20.3 6.0 55 55 A T E S+C 25 0B 129 -2,-0.3 -30,-0.2 -30,-0.2 2,-0.0 -0.438 93.5 27.3 -70.9 144.3 -7.4 -21.4 2.7 56 56 A G S S- 0 0 25 -32,-1.9 -2,-0.2 -22,-0.1 -23,-0.2 -0.135 110.7 -43.8 91.3 166.9 -8.3 -18.6 0.3 57 57 A K S S- 0 0 127 1,-0.1 -31,-0.2 -25,-0.1 -25,-0.1 -0.347 74.6 -92.4 -67.0 149.7 -6.6 -15.2 0.0 58 58 A c 0 0 40 -33,-0.4 -1,-0.1 1,-0.1 -26,-0.1 -0.227 360.0 360.0 -59.5 152.7 -5.9 -13.4 3.3 59 59 A E 0 0 259 -3,-0.1 -1,-0.1 0, 0.0 -33,-0.0 -0.796 360.0 360.0-135.6 360.0 -8.6 -11.1 4.5