==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 05-APR-00 1EQK . COMPND 2 MOLECULE: ORYZACYSTATIN-I; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA JAPONICA GROUP; . AUTHOR K.NAGATA,N.KUDO,K.ABE,S.ARAI,M.TANOKURA . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7552.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 68.6 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 . 35 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 10 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.9 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 0 0 0 0 0 1 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 1 0 0 1 0 1 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 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 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 M 0 0 241 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.1 -22.1 -6.6 25.4 2 2 A S + 0 0 129 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.532 360.0 120.0 179.5 107.0 -21.4 -7.4 21.7 3 3 A S + 0 0 112 -2,-0.1 2,-0.2 3,-0.0 3,-0.1 -0.809 12.0 146.0-175.3 131.8 -18.9 -9.9 20.3 4 4 A D - 0 0 167 1,-0.6 0, 0.0 -2,-0.2 0, 0.0 -0.659 60.5 -9.3-174.9 112.9 -19.0 -13.0 18.1 5 5 A G S S- 0 0 69 -2,-0.2 -1,-0.6 2,-0.1 4,-0.1 0.269 96.9 -52.0 74.9 154.0 -16.6 -14.3 15.5 6 6 A G - 0 0 55 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 -0.090 55.9-105.5 -56.0 159.9 -13.6 -12.4 14.2 7 7 A P S S+ 0 0 125 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.229 100.1 90.4 -72.3 14.8 -14.0 -8.8 12.9 8 8 A V + 0 0 90 1,-0.1 -2,-0.1 0, 0.0 3,-0.1 -0.949 30.4 136.4-118.6 135.9 -13.6 -10.4 9.5 9 9 A L S S+ 0 0 166 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.256 71.6 13.0-156.0 3.9 -16.4 -11.8 7.3 10 10 A G S S- 0 0 39 3,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.867 71.1-105.7-162.2-166.6 -15.6 -10.6 3.8 11 11 A G S S+ 0 0 27 -2,-0.2 42,-0.2 1,-0.2 44,-0.0 -0.646 80.5 44.0-127.6-175.2 -13.0 -9.0 1.6 12 12 A V S S+ 0 0 97 -2,-0.2 -1,-0.2 1,-0.2 41,-0.2 0.912 71.1 176.2 38.0 75.8 -12.2 -5.7 -0.1 13 13 A E E -A 52 0A 73 39,-1.8 39,-0.8 -3,-0.1 -1,-0.2 -0.948 27.7-127.4-115.8 130.0 -13.0 -3.6 3.0 14 14 A P E +A 51 0A 101 0, 0.0 2,-0.2 0, 0.0 37,-0.2 -0.456 43.0 147.6 -72.4 141.4 -12.5 0.2 3.1 15 15 A V E +A 50 0A 51 35,-0.7 35,-1.0 -2,-0.1 2,-0.3 -0.753 10.4 145.0-152.4-162.4 -10.5 1.5 6.0 16 16 A G + 0 0 1 33,-0.3 4,-0.3 -2,-0.2 33,-0.2 -0.909 11.5 143.7 159.1-127.1 -8.1 4.3 7.0 17 17 A N > - 0 0 127 31,-0.4 3,-2.5 -2,-0.3 -1,-0.2 0.968 45.2-141.1 51.5 84.1 -7.6 6.3 10.2 18 18 A E T 3 S+ 0 0 138 1,-0.3 6,-0.3 29,-0.2 -1,-0.2 0.700 88.2 98.2 -46.2 -17.9 -3.8 6.7 10.3 19 19 A N T 3 + 0 0 146 1,-0.2 2,-1.3 4,-0.1 -1,-0.3 0.734 64.1 83.7 -44.5 -22.2 -4.4 6.1 14.0 20 20 A D X> - 0 0 59 -3,-2.5 4,-1.6 -4,-0.3 3,-0.5 -0.692 68.3-166.9 -88.6 88.9 -3.3 2.6 13.0 21 21 A L H 3> S+ 0 0 147 -2,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.849 86.7 56.9 -40.3 -47.3 0.5 2.8 13.1 22 22 A H H 3> S+ 0 0 78 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 104.0 51.3 -51.7 -57.2 0.7 -0.5 11.2 23 23 A L H X> S+ 0 0 30 -3,-0.5 4,-1.3 1,-0.2 3,-0.7 0.925 113.1 44.0 -47.3 -56.9 -1.4 0.8 8.2 24 24 A V H 3X>S+ 0 0 22 -4,-1.6 4,-3.3 -6,-0.3 5,-0.5 0.926 103.6 65.7 -56.2 -47.6 0.7 3.9 7.7 25 25 A D H 3X5S+ 0 0 72 -4,-2.8 4,-2.2 -5,-0.3 -1,-0.3 0.863 101.8 51.2 -41.7 -44.4 3.9 1.8 8.1 26 26 A L H X S+ 0 0 72 -4,-3.2 4,-1.6 1,-0.3 3,-0.8 0.885 117.3 49.6 -41.0 -50.9 11.5 1.0 -0.3 34 34 A H H 3X S+ 0 0 53 -4,-3.4 4,-1.1 -5,-0.3 6,-0.3 0.929 106.3 53.6 -55.7 -51.5 10.8 2.6 -3.7 35 35 A N H 3<>S+ 0 0 31 -4,-2.9 5,-0.7 -5,-0.3 -1,-0.3 0.734 105.2 60.5 -57.5 -21.3 13.1 5.6 -2.9 36 36 A K H X<5S+ 0 0 144 -4,-1.6 3,-0.9 -3,-0.8 -1,-0.2 0.980 114.9 28.3 -70.1 -58.8 15.7 2.9 -2.2 37 37 A K H 3<5S+ 0 0 191 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.417 131.6 44.0 -82.2 2.0 15.7 1.3 -5.6 38 38 A A T 3<5S- 0 0 34 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.191 103.4-127.5-127.5 10.9 14.8 4.7 -7.0 39 39 A N T < 5S- 0 0 148 -3,-0.9 -3,-0.2 -5,-0.2 -4,-0.2 0.795 71.2 -63.2 44.2 30.9 17.2 6.8 -4.9 40 40 A S < + 0 0 73 -5,-0.7 3,-0.1 -6,-0.3 -8,-0.1 0.246 61.5 175.2 75.7 154.9 14.0 8.7 -4.0 41 41 A L + 0 0 71 1,-0.5 28,-0.9 -10,-0.1 2,-0.2 0.310 59.4 34.2-159.3 -43.1 11.8 10.7 -6.5 42 42 A L E - B 0 68A 18 26,-0.2 -1,-0.5 -11,-0.1 2,-0.4 -0.526 69.9-118.9-117.2-176.2 8.7 12.1 -4.7 43 43 A E E - B 0 67A 124 24,-0.9 24,-2.6 -2,-0.2 -12,-0.0 -0.909 24.3-133.9-133.4 105.6 7.7 13.4 -1.3 44 44 A F E - B 0 66A 59 -2,-0.4 22,-0.3 22,-0.3 3,-0.1 -0.308 21.2-177.2 -57.5 134.3 5.0 11.6 0.7 45 45 A E E - 0 0 93 20,-2.3 2,-0.3 1,-0.4 21,-0.2 0.838 51.9 -64.9 -99.9 -49.8 2.5 14.1 2.1 46 46 A K E - B 0 65A 124 19,-1.5 19,-2.1 -19,-0.0 -1,-0.4 -0.958 52.2 -76.3-179.2-170.2 0.2 11.8 4.1 47 47 A L E - B 0 64A 18 -2,-0.3 17,-0.2 17,-0.2 -29,-0.2 -0.939 22.4-174.9-119.0 136.2 -2.3 9.0 3.9 48 48 A V E - 0 0 80 15,-1.5 -31,-0.4 -2,-0.4 2,-0.3 0.924 63.8 -45.6 -89.2 -59.8 -5.9 9.1 2.8 49 49 A S E - B 0 63A 47 14,-1.0 14,-3.4 -33,-0.2 -1,-0.4 -0.907 46.4-139.4-159.9-176.0 -7.2 5.6 3.5 50 50 A V E -AB 15 62A 0 -35,-1.0 -35,-0.7 12,-0.3 12,-0.3 -0.960 8.6-155.0-160.1 140.6 -6.4 1.9 3.1 51 51 A K E -A 14 0A 71 10,-2.1 2,-0.3 -2,-0.3 10,-0.1 -0.435 10.0-139.3-107.5-176.3 -8.3 -1.2 2.2 52 52 A Q E -A 13 0A 56 -39,-0.8 -39,-1.8 8,-0.3 2,-0.4 -0.971 12.8-172.2-150.8 131.9 -7.8 -4.9 3.0 53 53 A Q E -C 59 0A 60 6,-2.8 6,-2.6 -2,-0.3 2,-0.5 -0.960 15.5-141.1-127.1 144.2 -8.3 -8.0 0.8 54 54 A V E +C 58 0A 89 -2,-0.4 4,-0.2 4,-0.2 2,-0.1 -0.912 51.2 104.1-107.9 125.5 -8.1 -11.7 1.8 55 55 A V S S- 0 0 90 2,-1.1 -1,-0.0 -2,-0.5 0, 0.0 -0.321 87.8 -5.2-156.1-118.3 -6.4 -14.2 -0.6 56 56 A A S S- 0 0 69 -2,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.215 133.9 -33.3 -79.3 16.8 -3.1 -15.9 -0.6 57 57 A G S S- 0 0 9 -4,-0.1 -2,-1.1 2,-0.0 2,-0.5 -0.868 102.2 -35.0 169.9-133.2 -2.3 -13.9 2.5 58 58 A T E -CD 54 81A 24 23,-1.2 23,-1.8 -2,-0.3 2,-0.3 -0.905 55.0-174.8-129.0 103.6 -3.1 -10.4 3.8 59 59 A L E -CD 53 80A 24 -6,-2.6 -6,-2.8 -2,-0.5 2,-0.4 -0.721 3.3-172.5 -99.8 147.3 -3.5 -7.6 1.1 60 60 A Y E - D 0 79A 45 19,-1.5 19,-1.5 -2,-0.3 2,-0.9 -0.983 15.8-149.9-142.4 127.2 -4.0 -3.9 1.8 61 61 A Y E - D 0 78A 60 -2,-0.4 -10,-2.1 17,-0.2 2,-0.4 -0.811 19.4-165.9 -99.9 97.2 -4.7 -1.1 -0.7 62 62 A F E -BD 50 77A 1 15,-3.5 15,-1.7 -2,-0.9 2,-0.6 -0.669 7.5-161.6 -85.0 134.4 -3.3 2.1 0.8 63 63 A T E +BD 49 76A 20 -14,-3.4 -15,-1.5 -2,-0.4 -14,-1.0 -0.733 28.8 153.1-118.0 81.2 -4.4 5.3 -0.9 64 64 A I E -BD 47 75A 0 11,-1.6 11,-1.6 -2,-0.6 2,-0.4 -0.429 35.1-130.3 -99.9 177.1 -1.8 8.0 0.1 65 65 A E E +BD 46 74A 66 -19,-2.1 -20,-2.3 9,-0.3 -19,-1.5 -0.997 23.6 175.2-135.1 131.6 -0.8 11.2 -1.7 66 66 A V E -BD 44 73A 0 7,-1.8 7,-2.0 -2,-0.4 2,-0.9 -0.972 32.0-122.0-135.3 149.3 2.7 12.4 -2.5 67 67 A K E -B 43 0A 61 -24,-2.6 -24,-0.9 -2,-0.3 2,-0.6 -0.799 26.1-155.2 -94.4 103.1 4.1 15.3 -4.4 68 68 A E E > -B 42 0A 80 -2,-0.9 3,-2.1 -26,-0.2 2,-0.5 -0.684 58.7 -55.5 -81.3 116.6 6.4 14.0 -7.1 69 69 A G T 3 S- 0 0 58 -28,-0.9 -2,-0.1 -2,-0.6 -28,-0.0 -0.337 128.9 -11.0 54.6-105.4 8.9 16.6 -8.1 70 70 A D T 3 S+ 0 0 175 -2,-0.5 2,-0.3 2,-0.0 -1,-0.3 -0.102 128.2 76.2-114.1 32.3 6.7 19.6 -9.0 71 71 A A < - 0 0 40 -3,-2.1 2,-0.3 2,-0.0 0, 0.0 -0.890 60.5-150.1-137.3 166.8 3.4 17.6 -8.9 72 72 A K + 0 0 151 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.990 30.9 129.3-144.4 131.6 1.0 16.1 -6.4 73 73 A K E -D 66 0A 50 -7,-2.0 -7,-1.8 -2,-0.3 2,-0.4 -0.883 50.6 -83.1-160.0-171.9 -1.2 13.0 -6.6 74 74 A L E -D 65 0A 74 -9,-0.3 2,-0.4 -2,-0.3 -9,-0.3 -0.917 29.5-158.3-114.7 135.2 -2.2 9.8 -4.9 75 75 A Y E -D 64 0A 12 -11,-1.6 -11,-1.6 -2,-0.4 2,-1.3 -0.933 18.6-131.7-114.1 132.8 -0.4 6.5 -5.1 76 76 A E E -DE 63 94A 67 18,-0.7 18,-1.2 -2,-0.4 2,-0.7 -0.672 24.5-160.5 -84.2 92.6 -2.1 3.1 -4.4 77 77 A A E -DE 62 93A 0 -15,-1.7 -15,-3.5 -2,-1.3 2,-0.5 -0.649 8.4-169.6 -77.8 112.7 0.4 1.5 -2.0 78 78 A K E +DE 61 92A 38 14,-2.9 13,-2.6 -2,-0.7 14,-1.4 -0.919 6.8 178.7-109.0 123.7 -0.3 -2.2 -2.0 79 79 A V E -DE 60 90A 0 -19,-1.5 -19,-1.5 -2,-0.5 2,-0.4 -0.861 18.5-152.6-121.6 156.5 1.5 -4.4 0.6 80 80 A W E +D 59 0A 68 9,-1.2 9,-0.4 -2,-0.3 2,-0.3 -0.865 24.3 166.0-133.3 99.3 1.3 -8.2 1.3 81 81 A E E -D 58 0A 20 -23,-1.8 -23,-1.2 -2,-0.4 7,-0.3 -0.733 23.2-147.0-110.6 160.9 2.0 -9.2 4.8 82 82 A K B > -F 87 0B 16 5,-1.2 5,-1.7 -2,-0.3 3,-0.4 -0.967 11.6-174.7-134.1 117.3 1.4 -12.6 6.6 83 83 A P T > 5S+ 0 0 71 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.919 85.4 67.3 -72.4 -48.2 0.5 -12.8 10.3 84 84 A W T 3 5S+ 0 0 157 1,-0.3 -2,-0.0 2,-0.1 -27,-0.0 0.714 128.1 13.4 -46.7 -19.1 0.6 -16.6 10.3 85 85 A M T 3 5S- 0 0 100 -3,-0.4 -1,-0.3 2,-0.1 -3,-0.1 0.150 106.3-120.9-142.4 14.7 4.3 -16.0 9.7 86 86 A D T < 5 + 0 0 143 -3,-1.6 2,-0.3 1,-0.1 -2,-0.1 0.904 62.5 139.2 37.4 81.6 4.6 -12.3 10.5 87 87 A F B < +F 82 0B 82 -5,-1.7 -5,-1.2 2,-0.0 2,-0.3 -0.842 28.6 179.3-141.4 177.0 5.8 -11.2 7.1 88 88 A K - 0 0 76 -7,-0.3 2,-0.3 -2,-0.3 -7,-0.3 -0.908 5.9-176.5-177.8 151.4 5.4 -8.4 4.5 89 89 A E - 0 0 107 -9,-0.4 -9,-1.2 -2,-0.3 2,-0.1 -0.860 32.8-112.7-162.9 123.7 6.7 -7.2 1.1 90 90 A L E -E 79 0A 29 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.332 27.6-179.1 -60.4 130.1 5.9 -4.1 -0.9 91 91 A Q E - 0 0 81 -13,-2.6 2,-0.2 1,-0.2 -12,-0.2 0.827 60.2 -52.6 -97.4 -43.8 4.0 -4.9 -4.1 92 92 A E E -E 78 0A 124 -14,-1.4 -14,-2.9 -17,-0.0 2,-0.4 -0.635 37.4-153.8 164.8 136.0 3.7 -1.4 -5.6 93 93 A F E +E 77 0A 2 -16,-0.3 -16,-0.4 -2,-0.2 -18,-0.0 -0.791 51.0 107.6-128.1 88.5 2.5 2.1 -4.5 94 94 A K E S-E 76 0A 69 -18,-1.2 -18,-0.7 -2,-0.4 -19,-0.2 -0.981 77.0-108.6-156.7 160.7 1.3 4.1 -7.5 95 95 A P - 0 0 49 0, 0.0 3,-0.3 0, 0.0 -20,-0.1 0.368 60.7-120.6 -72.5 4.7 -1.8 5.5 -9.2 96 96 A V - 0 0 89 1,-0.2 2,-1.6 -20,-0.1 -21,-0.0 0.963 22.6-147.0 50.2 83.9 -1.0 2.9 -11.9 97 97 A D + 0 0 137 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.623 58.7 99.0 -83.3 85.4 -0.6 5.1 -15.0 98 98 A A - 0 0 83 -2,-1.6 2,-0.4 -3,-0.3 0, 0.0 -0.892 49.4-160.3-169.3 137.0 -2.0 2.7 -17.6 99 99 A S + 0 0 130 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.990 28.8 135.5-128.0 128.8 -5.2 2.2 -19.5 100 100 A A - 0 0 92 -2,-0.4 2,-0.2 0, 0.0 -2,-0.0 -0.897 23.8-167.9-154.9-179.2 -6.3 -1.0 -21.3 101 101 A N 0 0 152 -2,-0.3 -2,-0.0 1,-0.0 0, 0.0 -0.743 360.0 360.0 179.2 130.1 -9.2 -3.3 -21.8 102 102 A A 0 0 179 -2,-0.2 -1,-0.0 0, 0.0 0, 0.0 0.431 360.0 360.0-145.0 360.0 -9.7 -6.8 -23.3