==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR(KAZAL TYPE) 22-FEB-94 1PCE . COMPND 2 MOLECULE: PEC-60; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR E.LIEPINSH,K.D.BERNDT,R.SILLARD,V.MUTT,G.OTTING . 60 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 55.0 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 16.7 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 1.7 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 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.7 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 1 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 1 A E 0 0 212 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -36.2 13.1 -6.5 9.2 2 2 A K > + 0 0 121 1,-0.2 3,-2.3 2,-0.1 2,-0.4 -0.268 360.0 94.7 43.1-108.2 9.5 -6.8 7.8 3 3 A Q T 3 S+ 0 0 93 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.087 85.8 38.8 45.8 -91.5 10.4 -5.7 4.2 4 4 A V T 3 S+ 0 0 115 -2,-0.4 2,-2.3 1,-0.3 -1,-0.3 0.909 108.8 65.1 -59.3 -40.5 11.0 -9.0 2.3 5 5 A F S < S+ 0 0 177 -3,-2.3 -1,-0.3 2,-0.0 2,-0.2 -0.340 86.0 115.7 -80.0 55.8 8.1 -10.6 4.2 6 6 A S S S- 0 0 29 -2,-2.3 2,-0.5 -3,-0.3 49,-0.2 -0.570 70.5-110.8-109.3 179.6 5.6 -8.2 2.5 7 7 A R B -A 54 0A 137 47,-2.1 47,-2.5 -2,-0.2 49,-0.1 -0.967 28.8-131.7-109.4 128.1 2.7 -8.5 0.0 8 8 A M - 0 0 122 -2,-0.5 2,-0.2 45,-0.2 45,-0.1 -0.765 27.7-127.0 -76.3 121.2 3.5 -7.1 -3.4 9 9 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 30,-0.0 -0.488 24.5-109.2 -70.7 138.9 0.4 -4.9 -4.2 10 10 A I - 0 0 118 -2,-0.2 2,-0.6 1,-0.1 32,-0.2 -0.610 38.4-166.5 -74.8 121.5 -1.2 -5.8 -7.6 11 11 A a + 0 0 48 -2,-0.4 2,-0.3 31,-0.1 -1,-0.1 -0.869 40.5 70.3-124.1 94.2 -0.4 -2.8 -9.9 12 12 A E S S- 0 0 114 -2,-0.6 2,-0.4 27,-0.1 31,-0.1 -0.926 71.2-109.9-167.1-171.4 -2.3 -2.6 -13.2 13 13 A H - 0 0 132 -2,-0.3 4,-0.1 0, 0.0 -2,-0.0 -0.908 37.9-143.7-126.5 101.3 -5.8 -1.8 -14.6 14 14 A M > - 0 0 92 -2,-0.4 3,-0.6 2,-0.1 -2,-0.0 -0.231 16.8-123.4 -56.5 152.8 -7.1 -5.1 -16.0 15 15 A T T 3 S+ 0 0 137 1,-0.3 2,-2.0 0, 0.0 -1,-0.1 0.986 112.9 53.7 -54.4 -58.4 -9.3 -4.8 -19.2 16 16 A E T 3 S+ 0 0 178 1,-0.0 -1,-0.3 -3,-0.0 -2,-0.1 -0.412 93.3 88.3 -78.1 61.1 -12.0 -6.6 -17.3 17 17 A S < + 0 0 40 -2,-2.0 3,-0.1 -3,-0.6 -1,-0.0 -0.753 41.7 172.9-157.3 117.0 -12.1 -4.2 -14.3 18 18 A P S S+ 0 0 124 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.838 70.8 3.9 -80.7 -98.1 -14.2 -0.9 -14.0 19 19 A D S S- 0 0 93 1,-0.1 2,-1.7 3,-0.0 0, 0.0 -0.370 82.7-102.2 -73.6 167.7 -13.9 0.5 -10.4 20 20 A b > - 0 0 49 -3,-0.1 3,-2.9 -2,-0.1 20,-0.1 -0.389 61.0-114.4 -79.6 56.2 -11.6 -0.9 -7.7 21 21 A S T 3 - 0 0 93 -2,-1.7 3,-0.2 1,-0.3 -1,-0.1 0.469 49.9 -80.2 -2.3 54.9 -15.2 -2.1 -6.8 22 22 A R T 3 - 0 0 229 1,-0.2 2,-1.4 15,-0.0 -1,-0.3 0.858 69.8-177.2 23.3 56.9 -14.9 0.0 -3.6 23 23 A I < - 0 0 96 -3,-2.9 2,-0.5 2,-0.1 -1,-0.2 -0.656 12.3-156.6 -75.0 89.1 -12.9 -2.8 -2.2 24 24 A Y + 0 0 185 -2,-1.4 13,-0.2 -3,-0.2 12,-0.0 -0.671 36.7 140.2 -72.4 118.5 -12.4 -1.4 1.3 25 25 A D - 0 0 66 11,-2.7 13,-0.4 -2,-0.5 10,-0.1 -0.524 36.2-153.1-164.9 83.9 -9.2 -3.1 2.5 26 26 A P + 0 0 31 0, 0.0 32,-2.6 0, 0.0 2,-0.3 -0.246 17.7 173.3 -67.6 156.0 -6.6 -1.1 4.5 27 27 A V E -BC 35 57A 2 8,-2.4 8,-2.5 30,-0.3 2,-0.5 -0.956 32.6-116.1-150.1 161.8 -2.9 -2.0 4.6 28 28 A c E -BC 34 56A 9 28,-2.4 27,-2.8 -2,-0.3 28,-0.9 -0.923 32.2-143.1-103.7 122.3 0.2 -0.5 6.0 29 29 A G E > - C 0 54A 0 4,-2.7 3,-1.4 -2,-0.5 25,-0.2 -0.361 24.6-111.9 -79.0 162.5 2.8 0.6 3.3 30 30 A T T 3 S+ 0 0 39 23,-1.5 -1,-0.1 1,-0.3 24,-0.1 0.749 121.1 65.0 -61.9 -21.7 6.6 0.3 3.6 31 31 A D T 3 S- 0 0 65 22,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.755 117.9-120.0 -72.8 -19.6 6.5 4.1 3.6 32 32 A G S < S+ 0 0 44 -3,-1.4 2,-0.3 1,-0.4 -2,-0.1 0.503 74.6 118.3 91.6 8.7 4.6 3.6 6.9 33 33 A V - 0 0 88 27,-0.0 -4,-2.7 26,-0.0 -1,-0.4 -0.761 66.7-115.1 -98.5 148.6 1.4 5.4 5.9 34 34 A T E -B 28 0A 43 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.670 24.3-159.5 -75.8 140.4 -1.9 3.5 5.9 35 35 A Y E -B 27 0A 45 -8,-2.5 -8,-2.4 -2,-0.3 23,-0.1 -0.942 14.5-140.7-118.0 141.2 -3.7 3.0 2.5 36 36 A E S S+ 0 0 111 -2,-0.4 -11,-2.7 -10,-0.3 2,-0.3 0.470 84.7 21.2 -79.0 -14.9 -7.4 2.2 2.5 37 37 A S S > S- 0 0 7 -13,-0.2 4,-2.6 1,-0.1 -1,-0.2 -0.908 70.7-129.7-156.1 133.3 -7.4 -0.3 -0.4 38 38 A E H > S+ 0 0 60 -13,-0.4 4,-2.8 -2,-0.3 5,-0.2 0.889 114.7 55.8 -51.5 -41.9 -4.5 -2.4 -1.9 39 39 A b H > S+ 0 0 24 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.974 107.4 45.7 -51.8 -60.7 -5.7 -1.0 -5.2 40 40 A K H > S+ 0 0 116 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.848 109.7 56.1 -56.0 -37.4 -5.4 2.6 -4.0 41 41 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.976 112.1 42.4 -56.0 -54.9 -1.9 1.8 -2.5 42 42 A a H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.923 111.9 54.3 -55.9 -47.5 -0.9 0.6 -6.0 43 43 A L H X S+ 0 0 82 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.951 112.7 43.5 -51.9 -50.8 -2.5 3.5 -7.7 44 44 A A H X S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.2 5,-0.4 0.907 112.1 53.8 -60.2 -43.8 -0.5 5.9 -5.4 45 45 A R H X>S+ 0 0 44 -4,-2.8 5,-1.9 -5,-0.2 4,-1.4 0.906 113.7 42.9 -56.3 -44.0 2.6 3.7 -6.0 46 46 A I H <5S+ 0 0 83 -4,-2.9 -2,-0.2 3,-0.2 -1,-0.2 0.918 115.0 47.6 -68.7 -49.7 2.1 4.2 -9.8 47 47 A E H <5S+ 0 0 142 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.958 123.8 32.6 -62.7 -48.2 1.2 7.9 -9.7 48 48 A N H <5S- 0 0 92 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.774 106.2-129.4 -75.6 -27.2 4.2 8.8 -7.5 49 49 A K T <5 + 0 0 184 -4,-1.4 2,-0.3 -5,-0.4 -3,-0.2 0.988 52.8 148.9 64.7 75.4 6.4 6.0 -9.0 50 50 A Q < - 0 0 105 -5,-1.9 2,-0.2 2,-0.1 -1,-0.2 -0.824 56.8-123.3-127.5 165.8 7.5 4.4 -5.7 51 51 A D + 0 0 114 -2,-0.3 2,-0.2 2,-0.0 -5,-0.0 -0.493 48.9 163.5-106.3 55.8 8.4 0.8 -4.6 52 52 A I - 0 0 3 -2,-0.2 2,-0.3 -11,-0.1 -2,-0.1 -0.518 14.9-171.5 -69.5 142.7 5.8 0.6 -1.8 53 53 A Q - 0 0 25 -2,-0.2 -23,-1.5 -45,-0.1 2,-0.7 -0.936 32.9-102.9-127.8 158.3 5.1 -2.9 -0.5 54 54 A I E -AC 7 29A 1 -47,-2.5 -47,-2.1 -2,-0.3 -25,-0.2 -0.735 29.2-171.4 -78.6 115.1 2.4 -4.0 1.9 55 55 A V E S- 0 0 25 -27,-2.8 2,-0.3 -2,-0.7 -1,-0.2 0.935 71.3 -19.5 -71.9 -47.9 4.1 -4.5 5.3 56 56 A K E S- C 0 28A 80 -28,-0.9 -28,-2.4 2,-0.2 -1,-0.4 -0.982 74.7 -91.0-155.7 161.6 1.0 -6.1 6.6 57 57 A D E S+ C 0 27A 82 -2,-0.3 -30,-0.3 -30,-0.2 -32,-0.0 -0.405 90.8 16.8 -65.5 142.6 -2.8 -6.3 6.0 58 58 A G S S- 0 0 23 -32,-2.6 -30,-0.3 -2,-0.1 -2,-0.2 -0.116 108.0 -19.0 74.0 178.8 -4.9 -3.7 7.8 59 59 A E 0 0 134 -32,-0.1 -31,-0.3 1,-0.1 -26,-0.0 -0.008 360.0 360.0 -65.3 160.5 -3.8 -0.4 9.4 60 60 A c 0 0 88 -33,-0.3 -1,-0.1 -28,-0.1 -26,-0.1 -0.055 360.0 360.0 -64.4 360.0 -0.3 0.6 10.4