==== 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 1UVG . COMPND 2 MOLECULE: SERINE PROTEINASE INHIBITOR KAZAL TYPE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.VITZITHUM,P.ROESCH,U.C.MARX . 76 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 38 50.0 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 13.2 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 . 2 2.6 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 . 2 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 17.1 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 2 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 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 0 110 0, 0.0 3,-3.1 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 175.7 -15.9 -12.1 8.7 2 2 A S H >> + 0 0 26 1,-0.3 3,-1.9 2,-0.2 4,-1.1 0.850 360.0 74.9 -51.3 -30.8 -13.0 -9.7 8.2 3 3 A E H 34 S+ 0 0 146 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.820 89.7 58.7 -53.5 -25.6 -14.3 -9.3 4.6 4 4 A M H X4 S+ 0 0 124 -3,-3.1 3,-0.7 1,-0.2 -1,-0.3 0.807 101.5 53.0 -74.8 -26.4 -17.0 -7.2 6.2 5 5 A a H X< S+ 0 0 29 -3,-1.9 3,-0.9 -4,-0.6 -1,-0.2 0.658 84.9 87.1 -81.6 -13.9 -14.4 -4.8 7.5 6 6 A K T 3< S+ 0 0 167 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.845 113.8 7.2 -54.8 -30.4 -12.9 -4.5 4.0 7 7 A D T < S+ 0 0 133 -3,-0.7 -1,-0.3 -4,-0.3 2,-0.2 -0.341 97.8 125.5-150.6 63.7 -15.4 -1.6 3.5 8 8 A Y < - 0 0 88 -3,-0.9 2,-0.3 2,-0.0 -3,-0.1 -0.656 38.7-150.2-116.0 175.5 -17.3 -0.8 6.7 9 9 A R - 0 0 209 -2,-0.2 2,-0.4 6,-0.1 8,-0.2 -0.994 7.4-170.3-148.7 140.1 -17.8 2.5 8.6 10 10 A V - 0 0 53 -2,-0.3 6,-0.2 6,-0.1 -2,-0.0 -0.990 6.6-176.0-133.0 139.8 -18.3 3.3 12.3 11 11 A L B > -A 15 0A 93 4,-0.7 4,-2.3 -2,-0.4 -2,-0.0 -0.802 41.6-104.0-128.1 172.0 -19.3 6.7 14.0 12 12 A P T 4 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.766 125.0 28.4 -67.3 -24.8 -19.8 8.0 17.5 13 13 A R T 4 S+ 0 0 237 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.694 127.7 43.0-106.9 -27.7 -23.5 7.8 17.1 14 14 A I T 4 S+ 0 0 96 1,-0.2 2,-0.2 3,-0.0 -4,-0.0 0.887 81.4 175.0 -85.7 -41.9 -23.7 4.9 14.6 15 15 A G B < -A 11 0A 25 -4,-2.3 -4,-0.7 2,-0.0 2,-0.3 -0.469 51.3 -27.1 71.5-140.3 -21.1 2.7 16.3 16 16 A Y - 0 0 37 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.1 -0.822 57.9-139.0-110.5 151.3 -20.8 -0.7 14.6 17 17 A L + 0 0 131 -2,-0.3 -2,-0.0 -8,-0.2 -8,-0.0 -0.912 27.4 168.5-111.2 131.2 -23.5 -2.6 12.7 18 18 A b - 0 0 54 -2,-0.5 -2,-0.0 20,-0.0 17,-0.0 -0.966 34.6-101.5-139.6 156.9 -23.9 -6.4 13.1 19 19 A P - 0 0 71 0, 0.0 18,-0.1 0, 0.0 -1,-0.0 -0.174 26.1-124.2 -69.8 166.4 -26.5 -9.0 12.1 20 20 A K S S+ 0 0 198 2,-0.1 2,-0.4 15,-0.0 -2,-0.0 0.691 82.6 102.9 -87.2 -17.6 -29.1 -10.4 14.6 21 21 A D S S- 0 0 117 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.490 71.1-139.3 -67.0 121.7 -27.9 -14.0 14.0 22 22 A L + 0 0 91 -2,-0.4 13,-0.1 13,-0.1 -2,-0.1 -0.707 32.4 163.8 -85.7 125.3 -25.8 -15.0 16.9 23 23 A K - 0 0 120 -2,-0.5 2,-0.3 11,-0.1 10,-0.1 -0.879 32.9-134.7-147.5 113.0 -22.7 -17.0 15.9 24 24 A P - 0 0 53 0, 0.0 32,-1.7 0, 0.0 2,-0.3 -0.453 28.8-172.0 -66.1 123.5 -19.6 -17.7 18.0 25 25 A V E -BC 33 55B 7 8,-2.7 8,-2.4 -2,-0.3 33,-0.4 -0.872 20.1-125.9-118.5 154.1 -16.4 -17.2 16.0 26 26 A c E -BC 32 54B 2 28,-2.8 27,-3.5 -2,-0.3 28,-0.6 -0.759 22.4-136.0 -97.1 142.2 -12.8 -17.9 16.9 27 27 A G E > - C 0 52B 0 4,-3.1 3,-1.9 -2,-0.4 4,-0.3 -0.792 10.7-135.1 -99.5 139.3 -10.2 -15.1 16.6 28 28 A D T 3 S+ 0 0 65 23,-2.0 -1,-0.1 -2,-0.4 24,-0.1 0.667 105.4 68.2 -64.6 -10.8 -6.8 -15.7 15.1 29 29 A D T 3 S- 0 0 75 22,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.294 126.8 -98.1 -91.1 12.6 -5.4 -13.7 18.1 30 30 A G S < S+ 0 0 58 -3,-1.9 2,-0.3 1,-0.3 -2,-0.2 0.681 92.9 114.5 81.6 15.4 -6.4 -16.6 20.4 31 31 A Q - 0 0 73 -4,-0.3 -4,-3.1 26,-0.0 2,-0.4 -0.850 55.8-142.8-117.7 155.5 -9.6 -14.7 21.3 32 32 A T E -B 26 0B 38 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.904 6.9-155.8-118.0 146.7 -13.3 -15.6 20.7 33 33 A Y E -B 25 0B 16 -8,-2.4 -8,-2.7 -2,-0.4 6,-0.2 -0.971 13.8-141.1-124.0 128.0 -16.1 -13.3 19.8 34 34 A N S S+ 0 0 95 -2,-0.5 -9,-0.2 -10,-0.2 -1,-0.2 0.956 90.7 31.6 -47.8 -79.9 -19.8 -14.1 20.4 35 35 A N S S- 0 0 9 -11,-0.2 4,-0.4 -13,-0.1 -10,-0.1 -0.539 83.5-128.6 -81.1 148.6 -21.3 -12.7 17.2 36 36 A P S >> S+ 0 0 21 0, 0.0 3,-2.1 0, 0.0 4,-0.8 0.959 110.4 45.9 -62.1 -52.7 -19.2 -12.7 14.0 37 37 A b H 3> S+ 0 0 16 1,-0.3 4,-1.2 2,-0.2 3,-0.2 0.870 102.9 67.6 -60.3 -30.5 -19.6 -9.0 13.2 38 38 A M H 3> S+ 0 0 97 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.748 90.5 66.0 -61.6 -18.3 -18.8 -8.4 16.8 39 39 A L H X> S+ 0 0 2 -3,-2.1 3,-1.2 -4,-0.4 4,-0.9 0.978 93.6 53.9 -69.2 -52.7 -15.3 -9.7 16.0 40 40 A a H >X S+ 0 0 6 -4,-0.8 4,-1.5 1,-0.3 3,-1.4 0.880 99.8 66.9 -49.5 -32.8 -14.4 -6.8 13.7 41 41 A H H >X S+ 0 0 78 -4,-1.2 4,-1.8 1,-0.3 3,-0.9 0.955 95.6 52.5 -54.0 -48.1 -15.4 -4.7 16.7 42 42 A E H - 0 0 13 -33,-0.4 3,-0.7 1,-0.2 4,-0.2 0.022 41.2-102.3 -53.5 172.6 -12.3 -21.2 19.7 59 59 A E G > S+ 0 0 136 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 0.371 99.2 102.7 -82.6 9.3 -11.1 -24.8 20.7 60 60 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.2 4,-0.0 -2,-0.0 0.914 71.6 62.5 -58.7 -39.5 -10.2 -23.4 24.1 61 61 A S G < S+ 0 0 96 -3,-0.7 -1,-0.3 2,-0.0 -2,-0.1 0.869 89.6 87.6 -55.0 -33.4 -13.4 -25.0 25.5 62 62 A S S < S- 0 0 48 -3,-0.9 -4,-0.0 -4,-0.2 -3,-0.0 -0.206 102.0 -80.5 -62.3 159.4 -11.9 -28.3 24.5 63 63 A T - 0 0 106 1,-0.1 -1,-0.1 0, 0.0 4,-0.1 -0.288 33.8-126.7 -61.5 148.2 -9.6 -30.1 27.1 64 64 A P S S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.675 90.5 73.3 -70.4 -17.2 -6.0 -28.8 27.2 65 65 A G S S- 0 0 51 1,-0.1 2,-0.4 2,-0.0 3,-0.0 -0.167 90.0-104.2 -85.9-173.3 -4.7 -32.3 26.7 66 66 A T >> - 0 0 103 1,-0.1 3,-1.0 -2,-0.0 4,-0.6 -0.924 8.7-138.6-117.2 140.6 -4.9 -34.4 23.5 67 67 A T H >> S+ 0 0 111 -2,-0.4 3,-0.9 1,-0.2 4,-0.8 0.796 101.8 70.7 -66.0 -23.8 -7.3 -37.3 22.8 68 68 A A H >4 S+ 0 0 51 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.872 89.5 60.8 -61.7 -33.0 -4.4 -39.2 21.2 69 69 A A H <4 S+ 0 0 65 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.824 96.4 61.1 -64.6 -26.9 -2.9 -39.6 24.7 70 70 A S H << S+ 0 0 90 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.831 89.1 71.8 -69.7 -28.5 -6.1 -41.5 25.7 71 71 A M S << S+ 0 0 158 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.966 92.4 61.8 -49.2 -59.3 -5.3 -44.1 23.0 72 72 A P S S- 0 0 66 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.376 95.4-109.5 -70.4 146.6 -2.4 -45.5 25.1 73 73 A P - 0 0 127 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.199 28.7-146.1 -70.4 164.6 -3.1 -47.0 28.5 74 74 A S - 0 0 94 1,-0.1 -4,-0.0 -4,-0.1 0, 0.0 -0.994 20.6-128.1-136.6 141.9 -2.0 -45.3 31.8 75 75 A D 0 0 170 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.877 360.0 360.0 -55.5 -34.1 -0.9 -46.8 35.1 76 76 A E 0 0 242 -3,-0.1 -1,-0.3 0, 0.0 0, 0.0 -0.768 360.0 360.0-168.2 360.0 -3.5 -44.5 36.8