==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 18-JUL-07 2QN4 . COMPND 2 MOLECULE: ALPHA-AMYLASE/SUBTILISIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYZA SATIVA SUBSP. JAPONICA; . AUTHOR W.Y.PENG,Y.H.LIN,Y.C.HUANG,H.H.GUAN,Y.C.HSIEH,C.J.CHEN . 318 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 57.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 25 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.5 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 20 4 0 0 6 4 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 0 0 0 0 2 2 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 A 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.7 76.5 1.4 43.8 2 2 A P - 0 0 51 0, 0.0 75,-0.0 0, 0.0 76,-0.0 -0.258 360.0 -77.8 -62.6 161.8 74.5 1.9 40.6 3 3 A P - 0 0 75 0, 0.0 73,-2.8 0, 0.0 2,-0.0 -0.202 49.3-104.6 -61.7 153.7 75.8 4.8 38.5 4 4 A P B -A 75 0A 12 0, 0.0 2,-0.4 0, 0.0 71,-0.3 -0.298 32.1-111.3 -65.4 154.9 74.9 8.4 39.3 5 5 A V - 0 0 0 69,-2.9 8,-3.0 8,-0.2 2,-0.4 -0.752 37.3-145.5 -80.9 138.7 72.3 10.3 37.3 6 6 A Y B -B 12 0B 97 -2,-0.4 152,-0.4 6,-0.3 6,-0.2 -0.888 0.9-134.0-110.4 144.4 74.0 13.0 35.3 7 7 A D > - 0 0 8 4,-2.8 3,-1.8 -2,-0.4 152,-0.2 -0.177 42.1 -88.1 -80.3-179.4 72.6 16.5 34.4 8 8 A T T 3 S+ 0 0 71 150,-2.2 151,-0.1 1,-0.3 -1,-0.1 0.699 130.0 53.4 -69.1 -20.1 72.8 18.1 30.9 9 9 A E T 3 S- 0 0 113 149,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.309 120.9-108.6 -90.9 6.5 76.3 19.5 31.8 10 10 A G S < S+ 0 0 48 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.484 75.2 133.2 76.1 8.7 77.6 16.0 32.8 11 11 A H - 0 0 110 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.610 64.7 -98.6 -86.7 148.9 77.7 16.6 36.5 12 12 A E B -B 6 0B 97 -2,-0.2 -6,-0.3 -6,-0.2 2,-0.2 -0.371 41.9-109.0 -59.9 138.4 76.2 14.1 39.0 13 13 A L - 0 0 1 -8,-3.0 61,-2.0 61,-0.4 2,-0.3 -0.492 37.2-157.9 -65.1 141.6 72.8 15.0 40.2 14 14 A S B > -C 73 0C 35 59,-0.2 3,-0.8 -2,-0.2 46,-0.4 -0.918 29.4-129.8-122.7 150.4 72.7 16.1 43.8 15 15 A A T 3 S+ 0 0 14 57,-1.4 58,-0.1 -2,-0.3 -1,-0.1 0.727 112.1 60.3 -64.5 -20.9 70.0 16.1 46.4 16 16 A D T 3 S+ 0 0 139 56,-0.1 -1,-0.2 43,-0.1 2,-0.1 0.712 96.0 73.4 -77.9 -24.6 71.1 19.8 47.0 17 17 A G S < S- 0 0 8 -3,-0.8 43,-0.4 43,-0.1 2,-0.4 -0.326 70.2-135.8 -89.9 170.3 70.4 20.9 43.4 18 18 A S - 0 0 16 143,-0.3 143,-2.9 41,-0.1 2,-0.4 -0.976 22.7-165.1-125.1 144.7 67.2 21.7 41.5 19 19 A Y E -DE 58 160D 0 39,-2.3 39,-2.7 -2,-0.4 141,-0.2 -0.990 20.8-132.0-139.0 125.8 66.7 20.5 37.9 20 20 A Y E - E 0 159D 56 139,-2.7 139,-2.2 -2,-0.4 2,-0.8 -0.523 26.0-136.1 -65.2 142.5 64.4 21.3 35.1 21 21 A V E + E 0 158D 1 33,-0.4 11,-0.5 35,-0.4 137,-0.2 -0.864 36.9 170.3-109.6 95.3 63.0 18.0 33.6 22 22 A L E - E 0 157D 29 135,-2.1 135,-2.6 -2,-0.8 9,-0.1 -0.715 39.7 -92.7-108.7 155.3 63.2 18.5 29.9 23 23 A P E - E 0 156D 21 0, 0.0 133,-0.3 0, 0.0 -1,-0.1 -0.363 31.2-128.0 -65.3 151.4 62.7 16.2 26.9 24 24 A A S S+ 0 0 32 131,-1.6 132,-0.1 100,-0.1 134,-0.0 0.713 90.1 31.5 -73.1 -21.1 65.9 14.6 25.7 25 25 A S S > S- 0 0 54 130,-0.3 3,-0.6 132,-0.0 132,-0.0 -0.953 90.6 -96.0-135.7 155.7 65.1 15.7 22.1 26 26 A P T 3 S+ 0 0 23 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.241 100.7 42.2 -64.7 155.7 63.4 18.6 20.3 27 27 A G T 3 S+ 0 0 0 2,-0.1 199,-2.2 198,-0.1 200,-0.3 0.644 85.5 99.3 83.3 18.2 59.8 18.3 19.2 28 28 A H S < S- 0 0 55 -3,-0.6 2,-0.1 1,-0.5 200,-0.1 0.106 88.7-105.1-122.0 19.0 58.6 16.6 22.3 29 29 A G - 0 0 2 20,-0.1 -1,-0.5 199,-0.1 20,-0.2 -0.433 46.8 -62.3 90.0-166.4 57.1 19.5 24.2 30 30 A G - 0 0 1 18,-3.0 24,-0.2 1,-0.3 21,-0.2 -0.087 60.9 -58.9-106.1-155.6 58.4 21.4 27.2 31 31 A G - 0 0 0 22,-2.8 17,-3.3 19,-0.3 2,-0.3 -0.012 60.7 -81.8 -83.0-176.0 59.4 20.8 30.9 32 32 A L E +Lm 47 55E 0 22,-0.5 24,-2.2 -11,-0.5 15,-0.2 -0.712 49.7 168.6 -93.2 144.9 57.3 19.5 33.8 33 33 A T E -L 46 0E 11 13,-2.8 13,-2.5 -2,-0.3 2,-0.4 -0.786 34.3-109.5-138.8 177.8 55.0 21.7 35.8 34 34 A M E +L 45 0E 16 -2,-0.2 11,-0.2 11,-0.2 9,-0.1 -0.983 42.1 163.0-116.9 133.3 52.2 21.5 38.4 35 35 A A E -L 44 0E 2 9,-2.2 9,-2.8 -2,-0.4 2,-0.1 -0.993 38.4-103.5-149.5 146.9 48.6 22.4 37.3 36 36 A P E -L 43 0E 61 0, 0.0 7,-0.1 0, 0.0 5,-0.1 -0.501 21.6-156.4 -75.3 151.3 45.1 21.8 38.6 37 37 A R S S- 0 0 92 2,-0.7 6,-0.1 5,-0.5 107,-0.0 0.834 71.7 -45.8-106.6 -48.3 42.9 19.1 37.0 38 38 A V S S+ 0 0 142 1,-0.1 0, 0.0 3,-0.1 0, 0.0 0.829 132.8 58.7-131.5 -29.6 39.3 20.1 37.6 39 39 A L S S- 0 0 122 1,-0.1 -2,-0.7 2,-0.1 -1,-0.1 -0.439 88.9-125.1 -79.7 139.5 39.5 21.0 41.2 40 40 A P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 0.730 83.6 78.4 -68.1 -18.7 42.0 23.8 41.9 41 41 A a S S+ 0 0 47 1,-0.1 2,-0.1 2,-0.1 -2,-0.1 -0.980 73.6 36.6-138.8 146.4 43.8 21.5 44.5 42 42 A P S S- 0 0 49 0, 0.0 -5,-0.5 0, 0.0 2,-0.2 0.652 80.2-136.2 -76.3 162.0 45.7 19.2 44.6 43 43 A L E -L 36 0E 14 -7,-0.1 62,-2.6 -2,-0.1 2,-0.3 -0.595 17.1-149.2 -80.7 144.7 48.0 20.1 41.7 44 44 A L E -LN 35 104E 17 -9,-2.8 -9,-2.2 60,-0.2 2,-0.6 -0.730 25.7 -97.3-110.5 163.1 49.0 17.3 39.4 45 45 A V E +L 34 0E 0 58,-3.0 102,-2.6 -2,-0.3 58,-0.3 -0.744 50.1 175.5 -88.7 119.0 52.2 16.9 37.4 46 46 A A E -LO 33 146E 0 -13,-2.5 -13,-2.8 -2,-0.6 2,-0.5 -0.788 29.1-126.4-114.0 161.3 51.7 18.1 33.8 47 47 A Q E -L 32 0E 2 98,-2.5 98,-0.5 -2,-0.3 -15,-0.2 -0.938 32.3-114.5-104.8 133.3 54.1 18.5 30.9 48 48 A E - 0 0 19 -17,-3.3 -18,-3.0 -2,-0.5 181,-0.1 -0.486 16.7-151.5 -58.8 131.7 54.2 22.0 29.3 49 49 A T S S+ 0 0 61 -20,-0.2 2,-0.6 -2,-0.2 -1,-0.2 0.820 79.2 81.5 -73.8 -29.0 52.8 21.6 25.7 50 50 A D S > S- 0 0 77 1,-0.2 3,-1.9 -21,-0.1 -19,-0.3 -0.669 73.7-149.8 -83.2 117.9 55.0 24.6 24.7 51 51 A E T 3 S+ 0 0 69 -2,-0.6 -1,-0.2 1,-0.3 -20,-0.1 0.766 94.5 60.6 -57.5 -27.4 58.6 23.5 24.0 52 52 A R T 3 S+ 0 0 217 -22,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.683 85.8 89.1 -77.7 -11.1 60.0 26.9 25.1 53 53 A R < - 0 0 132 -3,-1.9 -22,-2.8 1,-0.1 -5,-0.2 -0.774 55.4-170.1 -95.1 114.5 58.5 26.5 28.6 54 54 A K - 0 0 97 -2,-0.7 -22,-0.5 1,-0.2 -33,-0.4 0.597 26.7-155.0 -76.8 -13.0 61.0 24.8 31.1 55 55 A G B -m 32 0E 20 -24,-0.3 -22,-0.3 -35,-0.1 -1,-0.2 -0.367 42.1 -32.6 68.6-151.4 58.3 24.4 33.8 56 56 A F - 0 0 76 -24,-2.2 -35,-0.4 -35,-0.1 -24,-0.2 -0.829 62.9-116.6-106.3 144.7 59.4 24.2 37.4 57 57 A P - 0 0 15 0, 0.0 28,-2.8 0, 0.0 2,-0.3 -0.356 28.0-139.4 -77.1 154.6 62.6 22.5 38.6 58 58 A V E -DF 19 84D 0 -39,-2.7 -39,-2.3 26,-0.3 2,-0.4 -0.807 2.1-143.6-111.4 158.8 62.5 19.4 40.8 59 59 A R E - F 0 83D 58 24,-2.6 24,-2.1 -2,-0.3 2,-0.4 -0.976 13.4-147.0-119.2 135.7 64.5 18.3 43.9 60 60 A F E - F 0 82D 1 -46,-0.4 22,-0.2 -2,-0.4 -43,-0.1 -0.826 10.6-168.4-101.4 141.4 65.4 14.7 44.4 61 61 A T E - F 0 81D 38 20,-2.3 20,-2.8 -2,-0.4 3,-0.1 -0.980 26.3-119.1-131.5 117.4 65.7 13.2 48.0 62 62 A P E > - F 0 80D 17 0, 0.0 3,-2.0 0, 0.0 18,-0.2 -0.224 46.4 -89.5 -53.6 141.5 67.2 9.8 48.6 63 63 A W T 3 S+ 0 0 91 16,-1.8 16,-0.1 1,-0.2 51,-0.0 -0.338 115.9 39.6 -57.6 128.5 64.8 7.4 50.2 64 64 A G T > S- 0 0 47 -3,-0.1 3,-1.7 4,-0.1 -1,-0.2 0.092 93.2-143.1 115.0 -19.6 65.0 7.7 54.0 65 65 A G G X S- 0 0 9 -3,-2.0 3,-2.0 1,-0.3 16,-0.0 -0.379 76.3 -0.4 68.3-133.9 65.4 11.4 54.0 66 66 A A G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -2,-0.1 -3,-0.1 0.744 136.3 57.8 -61.1 -21.9 67.8 12.7 56.7 67 67 A A G < S+ 0 0 92 -3,-1.7 -1,-0.3 3,-0.0 -2,-0.2 0.474 83.5 103.6 -89.5 -1.7 68.2 9.1 57.8 68 68 A A S < S- 0 0 9 -3,-2.0 -4,-0.1 -6,-0.2 4,-0.1 -0.401 91.6 -75.0 -68.9 157.8 69.5 8.1 54.3 69 69 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.052 44.8-108.9 -49.1 154.9 73.3 7.5 54.0 70 70 A E S S+ 0 0 195 -3,-0.1 2,-1.2 1,-0.1 -2,-0.1 0.762 101.6 87.5 -66.4 -27.1 75.5 10.7 53.9 71 71 A D + 0 0 88 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.644 55.8 176.6 -70.5 96.5 76.3 10.2 50.1 72 72 A R + 0 0 78 -2,-1.2 -57,-1.4 -4,-0.1 2,-0.2 0.013 26.2 137.5-100.2 25.4 73.3 12.0 48.7 73 73 A T B -C 14 0C 30 -59,-0.2 2,-0.5 -58,-0.1 -59,-0.2 -0.524 59.7-120.8 -60.0 135.4 74.4 11.6 45.1 74 74 A I - 0 0 1 -61,-2.0 -69,-2.9 -69,-0.2 -61,-0.4 -0.746 38.0-171.3 -88.6 126.9 71.3 10.7 43.1 75 75 A R B > -A 4 0A 52 -2,-0.5 3,-0.6 -71,-0.3 42,-0.4 -0.813 24.1 -99.5-120.8 158.2 71.7 7.3 41.4 76 76 A V T 3 S+ 0 0 12 -73,-2.8 42,-0.2 -2,-0.3 3,-0.1 -0.289 101.3 17.8 -68.2 158.2 69.8 5.2 38.9 77 77 A S T 3 S+ 0 0 54 40,-2.7 2,-0.4 1,-0.2 -1,-0.2 0.791 98.2 119.9 54.1 34.9 67.6 2.3 39.9 78 78 A T S < S- 0 0 51 -3,-0.6 39,-0.3 39,-0.3 -1,-0.2 -0.995 72.6-102.9-134.4 131.0 67.4 3.7 43.5 79 79 A D + 0 0 28 -2,-0.4 -16,-1.8 37,-0.1 2,-0.3 -0.341 50.9 165.3 -57.9 132.4 64.3 4.7 45.4 80 80 A V E -FG 62 115D 3 35,-2.1 35,-2.4 -18,-0.2 2,-0.3 -0.968 33.8-129.9-140.9 156.7 64.0 8.6 45.6 81 81 A R E -F 61 0D 60 -20,-2.8 -20,-2.3 -2,-0.3 2,-0.4 -0.795 25.0-156.4-101.3 151.8 61.3 11.1 46.5 82 82 A I E +F 60 0D 2 14,-0.3 14,-3.2 -2,-0.3 2,-0.3 -0.994 16.2 167.9-130.8 136.4 60.7 14.0 44.0 83 83 A R E -FH 59 95D 82 -24,-2.1 -24,-2.6 -2,-0.4 2,-0.3 -0.975 38.1-105.1-139.3 161.0 59.2 17.4 44.6 84 84 A F E -F 58 0D 0 10,-1.5 2,-1.4 -2,-0.3 -26,-0.3 -0.686 24.5-139.3 -80.3 135.0 58.9 20.7 42.8 85 85 A N + 0 0 61 -28,-2.8 2,-0.3 -2,-0.3 -1,-0.1 -0.698 69.2 97.9 -91.7 78.4 61.3 23.4 44.1 86 86 A A S S- 0 0 27 -2,-1.4 2,-0.1 -30,-0.1 -2,-0.1 -0.969 80.1 -98.5-164.4 146.1 58.6 26.1 43.9 87 87 A A - 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