==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 23-JAN-02 1ITP . COMPND 2 MOLECULE: PROTEINASE A INHIBITOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PLEUROTUS OSTREATUS; . AUTHOR H.SASAKAWA,S.YOSHINAGA,S.KOJIMA,A.TAMURA . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 68.8 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 . 21 27.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.6 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 . 7 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 24.7 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+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 1 0 0 0 0 1 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 . 0 0 0 0 2 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 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 G 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.3 0.3 -15.7 5.5 2 2 A S - 0 0 39 1,-0.1 48,-0.2 28,-0.1 3,-0.1 0.142 360.0-107.7 -47.4 173.0 -0.4 -12.7 3.3 3 3 A A S S- 0 0 35 46,-1.6 2,-0.3 1,-0.3 47,-0.2 0.290 77.6 -77.9 -89.6 8.4 -1.6 -13.3 -0.2 4 4 A G E -A 49 0A 26 45,-0.5 45,-2.0 69,-0.1 -1,-0.3 -0.813 67.7 -41.3 128.2-168.1 1.8 -12.3 -1.5 5 5 A K E -A 48 0A 105 66,-0.4 66,-1.0 -2,-0.3 2,-0.3 -0.743 52.6-171.5 -99.4 146.9 3.8 -9.1 -2.0 6 6 A F E -AB 47 70A 0 41,-2.1 41,-1.7 -2,-0.3 2,-0.4 -0.844 17.2-144.3-132.5 168.3 2.3 -6.0 -3.5 7 7 A I E +AB 46 69A 53 62,-2.4 62,-1.6 -2,-0.3 2,-0.3 -0.908 24.3 169.7-140.5 108.1 3.5 -2.6 -4.8 8 8 A V E -AB 45 68A 1 37,-1.3 37,-1.9 -2,-0.4 2,-0.3 -0.793 13.4-158.1-116.6 159.7 1.3 0.5 -4.2 9 9 A I E -AB 44 67A 26 58,-2.4 57,-2.4 -2,-0.3 58,-0.9 -0.964 9.6-136.3-137.4 152.7 2.1 4.2 -4.8 10 10 A F E -AB 43 65A 3 33,-2.9 33,-0.7 55,-0.3 55,-0.3 -0.902 28.4-107.1-113.6 140.0 0.6 7.4 -3.4 11 11 A K - 0 0 45 53,-1.1 -1,-0.1 -2,-0.4 55,-0.1 0.160 40.3 -98.0 -49.0 177.1 -0.2 10.5 -5.4 12 12 A N S S+ 0 0 112 1,-0.2 -1,-0.1 30,-0.1 30,-0.0 -0.105 118.6 60.1 -93.5 34.2 2.1 13.6 -5.0 13 13 A D S S+ 0 0 119 51,-0.2 -1,-0.2 2,-0.1 50,-0.0 0.612 72.1 107.9-124.9 -41.9 -0.4 15.0 -2.6 14 14 A V S S- 0 0 28 50,-0.2 2,-0.1 1,-0.1 50,-0.1 0.080 71.6-112.5 -38.2 153.6 -0.6 12.5 0.2 15 15 A S > - 0 0 48 1,-0.1 4,-1.8 -3,-0.0 -1,-0.1 -0.430 14.6-117.6 -90.9 168.1 1.1 13.7 3.4 16 16 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.969 116.5 43.6 -68.4 -56.2 4.2 12.3 5.0 17 17 A D H > S+ 0 0 126 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.830 111.1 58.9 -57.8 -33.2 2.6 11.2 8.3 18 18 A K H > S+ 0 0 123 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.923 103.3 50.9 -61.6 -46.4 -0.2 9.8 6.1 19 19 A I H X S+ 0 0 21 -4,-1.8 4,-2.5 -3,-0.2 5,-0.3 0.966 112.5 44.2 -54.6 -58.8 2.2 7.6 4.2 20 20 A R H X S+ 0 0 182 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.803 115.9 52.9 -56.2 -30.6 3.7 6.2 7.4 21 21 A E H X S+ 0 0 106 -4,-1.9 4,-4.1 -5,-0.3 5,-0.3 0.996 107.4 45.2 -68.1 -67.7 0.1 5.9 8.6 22 22 A T H X S+ 0 0 14 -4,-3.3 4,-1.3 1,-0.3 -2,-0.2 0.869 118.2 46.9 -42.6 -46.6 -1.4 4.0 5.7 23 23 A K H >X S+ 0 0 29 -4,-2.5 4,-2.1 -5,-0.3 3,-0.6 0.930 113.8 46.7 -62.8 -47.4 1.6 1.7 5.8 24 24 A D H 3X S+ 0 0 103 -4,-2.3 4,-3.2 -5,-0.3 5,-0.4 0.880 105.5 60.9 -61.6 -39.4 1.3 1.4 9.6 25 25 A E H 3X S+ 0 0 100 -4,-4.1 4,-2.2 1,-0.2 -1,-0.3 0.834 108.8 43.3 -56.2 -34.3 -2.4 0.7 9.2 26 26 A V H -C 42 0A 96 3,-1.7 2,-0.9 -2,-0.8 3,-0.8 -0.649 58.9 -91.1-103.9 161.5 12.1 8.8 -4.5 40 40 A P T 3 S- 0 0 135 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.612 115.4 -1.0 -75.0 104.5 11.8 12.4 -5.7 41 41 A G T 3 S+ 0 0 50 -2,-0.9 2,-0.5 1,-0.1 -3,-0.0 0.222 120.3 91.2 100.2 -11.3 8.2 12.7 -7.0 42 42 A M E < + C 0 39A 87 -3,-0.8 -3,-1.7 2,-0.1 2,-0.6 -0.966 47.1 177.2-123.1 117.1 7.5 9.0 -6.2 43 43 A K E +AC 10 38A 53 -33,-0.7 -33,-2.9 -2,-0.5 2,-0.2 -0.848 34.4 116.9-121.2 92.7 6.1 8.0 -2.8 44 44 A G E -AC 9 37A 3 -7,-1.6 -7,-2.8 -2,-0.6 2,-0.3 -0.739 38.3-154.5-140.2-173.0 5.4 4.3 -2.8 45 45 A F E -AC 8 36A 2 -37,-1.9 -37,-1.3 -9,-0.3 2,-0.4 -0.979 8.0-139.0-165.0 161.0 6.5 1.1 -1.0 46 46 A A E +AC 7 35A 4 -11,-2.2 -11,-3.4 -2,-0.3 -12,-1.4 -0.980 43.7 100.0-131.6 142.8 6.7 -2.7 -1.4 47 47 A G E -A 6 0A 0 -41,-1.7 -41,-2.1 -2,-0.4 2,-0.5 -0.884 69.7 -30.6 179.8-149.0 5.9 -5.5 1.0 48 48 A E E +A 5 0A 80 -16,-0.4 -16,-2.7 -43,-0.3 -43,-0.3 -0.854 60.4 155.7-102.1 130.7 3.3 -8.0 1.9 49 49 A L E -A 4 0A 0 -45,-2.0 -46,-1.6 -2,-0.5 -45,-0.5 -0.647 19.8-154.2-135.1-169.2 -0.4 -7.2 1.3 50 50 A T > - 0 0 30 -2,-0.2 4,-1.3 -48,-0.2 -48,-0.1 -0.887 39.3 -88.1-157.3-175.5 -3.7 -9.0 0.8 51 51 A P H > S+ 0 0 50 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.782 121.7 53.0 -75.0 -29.1 -7.2 -8.7 -0.8 52 52 A Q H > S+ 0 0 143 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.985 108.9 44.8 -68.4 -61.2 -8.5 -7.2 2.4 53 53 A S H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.848 110.7 60.7 -51.1 -37.5 -6.0 -4.4 2.8 54 54 A L H X S+ 0 0 8 -4,-1.3 4,-1.7 1,-0.3 5,-0.3 0.984 99.0 50.2 -53.0 -72.7 -6.5 -3.8 -0.9 55 55 A T H X S+ 0 0 102 -4,-1.8 4,-1.4 1,-0.2 5,-0.3 0.762 107.4 63.5 -37.1 -30.8 -10.2 -3.0 -0.8 56 56 A K H X S+ 0 0 69 -4,-1.3 4,-1.0 1,-0.2 3,-0.4 0.996 122.0 14.1 -59.0 -71.8 -9.1 -0.6 1.9 57 57 A F H < S+ 0 0 3 -4,-1.7 8,-0.3 -3,-0.2 -1,-0.2 0.169 118.9 77.7 -90.7 16.7 -6.9 1.7 -0.2 58 58 A Q H < S+ 0 0 81 -4,-1.7 -3,-0.2 -5,-0.2 -1,-0.2 0.821 101.2 33.1 -91.5 -38.9 -8.4 0.2 -3.3 59 59 A G H < S+ 0 0 66 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.1 0.873 118.0 51.9 -83.6 -42.6 -11.7 2.1 -3.2 60 60 A L S >< S+ 0 0 90 -4,-1.0 3,-1.6 -5,-0.3 -1,-0.2 0.556 88.9 127.6 -70.4 -7.1 -10.3 5.3 -1.6 61 61 A Q T 3 + 0 0 75 1,-0.2 2,-0.6 2,-0.2 5,-0.1 0.133 51.8 45.6 -43.2 166.7 -7.8 5.1 -4.4 62 62 A G T 3 S+ 0 0 44 3,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.186 115.3 51.4 86.8 -41.9 -7.3 8.2 -6.6 63 63 A D S < S+ 0 0 122 -3,-1.6 -2,-0.2 -2,-0.6 -1,-0.1 0.010 132.8 8.6-112.8 23.7 -7.1 10.4 -3.5 64 64 A L S S+ 0 0 13 1,-0.4 -53,-1.1 -55,-0.1 2,-0.5 0.146 121.7 52.7-160.1 -65.1 -4.5 8.2 -1.8 65 65 A I E -B 10 0A 0 -8,-0.3 -3,-2.0 -55,-0.3 -1,-0.4 -0.798 51.5-173.1 -93.9 127.0 -3.0 5.5 -4.0 66 66 A D E S+ 0 0 90 -57,-2.4 2,-0.3 -2,-0.5 -56,-0.2 0.859 76.7 6.7 -83.3 -40.4 -1.6 6.7 -7.4 67 67 A S E -B 9 0A 72 -58,-0.9 -58,-2.4 -56,-0.0 2,-0.4 -0.994 63.9-161.8-147.3 138.7 -0.9 3.2 -8.7 68 68 A I E +B 8 0A 47 -2,-0.3 2,-0.4 -60,-0.2 -60,-0.2 -0.983 8.0 178.5-125.1 132.4 -1.7 -0.3 -7.3 69 69 A E E -B 7 0A 92 -62,-1.6 -62,-2.4 -2,-0.4 2,-0.4 -0.881 10.4-162.3-137.3 102.7 0.0 -3.4 -8.4 70 70 A E E +B 6 0A 59 -2,-0.4 -64,-0.2 -64,-0.2 -2,-0.0 -0.691 18.1 168.8 -87.2 134.1 -1.0 -6.7 -6.8 71 71 A D + 0 0 73 -66,-1.0 -66,-0.4 -2,-0.4 3,-0.3 0.112 66.1 74.4-127.5 15.7 1.4 -9.6 -7.1 72 72 A G S S+ 0 0 19 -68,-0.3 2,-1.8 1,-0.2 3,-0.4 0.890 90.5 49.9 -93.3 -54.0 -0.3 -11.9 -4.6 73 73 A I S S+ 0 0 90 1,-0.2 -1,-0.2 -69,-0.1 -69,-0.1 -0.486 82.7 106.1 -86.9 65.6 -3.4 -13.0 -6.4 74 74 A V + 0 0 57 -2,-1.8 -1,-0.2 -3,-0.3 -2,-0.1 0.815 47.0 174.2-105.0 -62.5 -1.5 -14.1 -9.5 75 75 A T + 0 0 104 -3,-0.4 -2,-0.0 2,-0.1 -3,-0.0 0.431 52.9 45.0 62.4 150.9 -1.4 -17.9 -9.5 76 76 A T 0 0 134 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.932 360.0 360.0 44.8 90.5 -0.0 -19.9 -12.4 77 77 A Q 0 0 209 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.008 360.0 360.0-102.0 360.0 3.2 -18.1 -13.2