==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-JUN-07 2QGH . COMPND 2 MOLECULE: DIAMINOPIMELATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR T.HU,D.WU,H.JIANG,X.SHEN . 395 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 9.1 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 . 1 0.3 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 . 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 . 33 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 1 0 1 0 3 0 1 0 2 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 7 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 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 3 A N >> 0 0 127 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 13.6 -33.1 22.6 43.1 2 4 A Y H 3> + 0 0 61 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.752 360.0 66.2 -53.1 -27.7 -31.9 19.0 43.1 3 5 A E H 3> S+ 0 0 138 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.929 101.4 43.8 -64.8 -47.5 -34.1 18.2 46.1 4 6 A E H X> S+ 0 0 150 -3,-0.7 4,-1.2 1,-0.2 3,-0.5 0.919 115.8 53.2 -62.2 -39.3 -37.5 18.6 44.4 5 7 A L H >X S+ 0 0 5 -4,-1.5 4,-1.4 1,-0.2 3,-0.9 0.955 107.1 47.0 -59.1 -56.9 -36.0 16.7 41.5 6 8 A F H 3< S+ 0 0 33 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.628 108.3 60.3 -63.6 -12.1 -34.8 13.7 43.4 7 9 A Q H << S+ 0 0 161 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.826 115.3 29.2 -84.7 -33.4 -38.2 13.5 45.2 8 10 A T H << S+ 0 0 91 -4,-1.2 2,-0.4 -3,-0.9 -2,-0.2 0.443 120.2 53.0-106.5 -2.4 -40.2 13.1 42.0 9 11 A H < - 0 0 47 -4,-1.4 2,-0.2 -5,-0.2 -1,-0.1 -0.994 68.3-143.3-140.5 132.7 -37.7 11.2 39.8 10 12 A K - 0 0 133 -2,-0.4 358,-0.2 2,-0.1 -3,-0.1 -0.640 39.4 -72.9 -91.8 148.7 -35.6 8.1 40.4 11 13 A T S S+ 0 0 4 -2,-0.2 260,-0.2 -5,-0.1 2,-0.1 -0.401 90.6 49.2 -83.2 162.2 -32.0 7.6 39.1 12 14 A P S S+ 0 0 11 0, 0.0 356,-0.7 0, 0.0 2,-0.3 0.623 72.8 136.4 -92.9 157.3 -30.3 7.2 36.9 13 15 A F E -Ab 270 368A 0 257,-2.4 257,-2.2 354,-0.2 2,-0.4 -0.984 51.4-108.2-154.4 164.5 -31.4 9.7 34.3 14 16 A Y E -Ab 269 369A 0 354,-2.4 356,-3.3 -2,-0.3 2,-0.4 -0.821 30.0-166.3 -95.9 136.4 -30.2 12.2 31.7 15 17 A L E -Ab 268 370A 17 253,-2.6 253,-2.2 -2,-0.4 2,-0.5 -0.990 2.6-162.3-125.8 125.5 -30.7 15.9 32.6 16 18 A Y E -Ab 267 371A 1 354,-2.6 356,-2.8 -2,-0.4 2,-1.1 -0.927 16.1-150.5-115.5 126.3 -30.4 18.6 29.9 17 19 A D E >> - b 0 372A 48 249,-3.0 3,-0.8 -2,-0.5 4,-0.7 -0.795 17.3-165.4 -88.4 99.9 -29.9 22.4 30.5 18 20 A F H >> S+ 0 0 4 354,-1.8 4,-2.2 -2,-1.1 3,-0.7 0.792 78.5 67.5 -60.6 -30.9 -31.6 23.6 27.4 19 21 A D H 3> S+ 0 0 85 353,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.890 97.3 54.4 -56.7 -41.2 -30.3 27.1 27.6 20 22 A K H <> S+ 0 0 73 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.811 108.1 49.9 -63.2 -28.9 -26.8 25.8 26.9 21 23 A I H X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.2 3,-0.5 0.928 109.2 53.7 -70.7 -45.3 -26.4 27.0 18.6 26 28 A L H 3X S+ 0 0 40 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.750 103.5 58.7 -60.5 -24.8 -26.7 30.8 18.6 27 29 A N H 3X S+ 0 0 61 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.876 107.8 44.1 -73.7 -36.5 -22.9 31.0 18.7 28 30 A Y H << S+ 0 0 6 -4,-1.1 4,-0.4 -3,-0.5 -2,-0.2 0.875 111.5 55.5 -72.1 -37.5 -22.5 29.1 15.5 29 31 A K H < S+ 0 0 116 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.846 115.6 36.4 -63.9 -35.5 -25.3 31.1 13.9 30 32 A E H >< S+ 0 0 116 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.703 96.6 79.1 -91.3 -22.9 -23.6 34.4 14.7 31 33 A A T 3< S+ 0 0 28 -4,-1.6 2,-0.2 1,-0.3 -1,-0.2 0.642 100.9 47.0 -59.6 -10.8 -20.0 33.2 14.0 32 34 A F T 3 + 0 0 7 -4,-0.4 -1,-0.3 -3,-0.3 5,-0.2 -0.642 66.2 125.1-134.0 75.6 -21.0 33.7 10.4 33 35 A K < + 0 0 165 -3,-0.5 -1,-0.1 -2,-0.2 -2,-0.1 0.759 68.4 64.3 -99.6 -34.9 -22.7 37.0 9.9 34 36 A G S S+ 0 0 80 -3,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.218 113.4 33.7 -75.2 18.4 -20.4 38.4 7.2 35 37 A R S S- 0 0 66 -3,-0.1 2,-0.4 219,-0.0 218,-0.1 -0.986 91.3 -93.7-163.9 162.1 -21.7 35.6 5.0 36 38 A K + 0 0 159 -2,-0.3 218,-2.0 216,-0.2 2,-0.3 -0.704 55.5 165.1 -82.9 129.5 -24.7 33.4 4.2 37 39 A S E -f 254 0B 34 -2,-0.4 2,-0.4 216,-0.2 218,-0.2 -0.984 30.8-149.5-147.5 158.6 -24.5 30.2 6.2 38 40 A L E -f 255 0B 26 216,-2.3 218,-2.2 -2,-0.3 2,-0.8 -0.992 9.5-152.3-132.4 123.9 -26.5 27.2 7.4 39 41 A I E -f 256 0B 5 -2,-0.4 22,-2.4 216,-0.2 2,-1.0 -0.838 12.1-168.6 -99.4 104.8 -25.9 25.4 10.7 40 42 A C E -g 61 0B 0 216,-3.1 22,-0.3 -2,-0.8 2,-0.1 -0.790 17.4-139.1 -98.2 98.6 -27.1 21.7 10.3 41 43 A Y E -g 62 0B 0 20,-1.1 22,-2.9 -2,-1.0 2,-1.1 -0.304 16.9-126.0 -56.2 124.5 -27.2 20.1 13.7 42 44 A A E > -g 63 0B 3 216,-2.1 3,-2.0 20,-0.2 4,-0.5 -0.657 19.1-160.8 -78.4 102.7 -25.8 16.6 13.5 43 45 A L G > S+ 0 0 0 20,-1.5 3,-0.8 -2,-1.1 -1,-0.2 0.801 81.1 77.4 -53.5 -36.0 -28.6 14.5 15.0 44 46 A K G 3 S+ 0 0 38 19,-0.4 -1,-0.3 1,-0.3 309,-0.2 0.799 89.1 60.6 -46.3 -30.9 -26.3 11.5 15.7 45 47 A A G < S- 0 0 0 -3,-2.0 308,-2.6 1,-0.3 309,-0.6 0.961 134.7 -23.6 -62.9 -50.6 -25.1 13.6 18.7 46 48 A N < - 0 0 2 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.1 -0.787 57.0-177.5-166.1 117.1 -28.5 13.7 20.2 47 49 A S + 0 0 16 -2,-0.2 -3,-0.1 -3,-0.2 -4,-0.1 0.184 26.7 150.8-105.2 14.2 -31.8 13.2 18.4 48 50 A N > - 0 0 13 1,-0.1 4,-2.5 -5,-0.1 5,-0.3 -0.241 50.1-130.0 -52.3 128.3 -34.3 13.7 21.2 49 51 A L H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.829 104.0 53.0 -47.6 -42.4 -37.5 15.2 19.8 50 52 A S H > S+ 0 0 25 330,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.917 110.6 44.5 -66.0 -45.3 -37.6 18.0 22.4 51 53 A I H > S+ 0 0 1 -3,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.905 111.9 52.9 -67.9 -38.5 -34.1 19.2 21.8 52 54 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.872 108.7 51.9 -62.2 -34.8 -34.6 19.0 18.0 53 55 A S H X S+ 0 0 61 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.891 107.3 51.5 -67.8 -40.4 -37.8 21.1 18.4 54 56 A L H X S+ 0 0 30 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.927 111.7 47.5 -61.7 -43.7 -35.9 23.7 20.4 55 57 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.7 0.873 108.2 56.1 -66.6 -33.6 -33.3 23.9 17.6 56 58 A A H ><5S+ 0 0 16 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.873 100.1 57.3 -65.4 -37.6 -36.1 24.1 15.1 57 59 A H H 3<5S+ 0 0 162 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.730 104.2 54.3 -65.4 -19.7 -37.5 27.2 16.8 58 60 A L T <<5S- 0 0 22 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.169 123.6-111.5 -96.6 14.2 -34.1 28.7 16.2 59 61 A E T < 5 + 0 0 128 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.830 58.9 170.9 57.7 37.7 -34.5 27.9 12.6 60 62 A S < - 0 0 1 -5,-2.2 19,-0.4 -8,-0.1 -20,-0.2 -0.303 25.6-136.2 -75.3 160.3 -31.8 25.3 12.8 61 63 A G E -g 40 0B 0 -22,-2.4 -20,-1.1 17,-0.1 2,-0.3 -0.330 17.2-126.1-101.6-171.3 -31.0 22.8 10.0 62 64 A A E -gh 41 83B 0 20,-2.8 22,-2.9 -22,-0.3 2,-0.7 -0.976 8.2-155.0-147.7 130.0 -30.3 19.1 10.4 63 65 A D E -gh 42 84B 8 -22,-2.9 -20,-1.5 -2,-0.3 -19,-0.4 -0.918 30.6-175.2-101.9 112.1 -27.4 16.8 9.3 64 66 A C E - h 0 85B 0 20,-3.3 22,-2.9 -2,-0.7 3,-0.1 -0.779 29.1-173.8-111.0 154.1 -29.0 13.4 9.0 65 67 A V S S+ 0 0 59 -2,-0.3 2,-0.3 20,-0.2 24,-0.2 0.262 73.3 29.7-127.0 8.9 -27.5 10.0 8.3 66 68 A S S > S- 0 0 30 1,-0.1 4,-2.0 24,-0.1 3,-0.3 -0.987 79.4-109.6-161.5 159.6 -30.7 7.9 8.0 67 69 A I H > S+ 0 0 22 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.878 119.3 61.3 -61.6 -33.9 -34.3 8.1 7.1 68 70 A G H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 106.1 43.6 -59.0 -41.6 -35.0 7.7 10.8 69 71 A E H > S+ 0 0 21 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.856 112.2 52.8 -72.9 -35.0 -33.1 10.9 11.6 70 72 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.935 110.4 48.3 -64.8 -44.0 -34.7 12.8 8.7 71 73 A Q H X S+ 0 0 108 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.904 111.2 50.2 -63.1 -41.4 -38.1 11.7 10.0 72 74 A R H X S+ 0 0 103 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.957 111.3 48.9 -59.1 -52.2 -37.2 12.8 13.5 73 75 A A H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.4 0.903 113.0 45.9 -53.8 -49.5 -36.0 16.2 12.2 74 76 A L H ><5S+ 0 0 53 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.882 111.8 52.3 -62.9 -39.9 -39.2 16.9 10.2 75 77 A K H 3<5S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.761 106.8 53.8 -68.4 -26.1 -41.4 15.8 13.0 76 78 A A T 3<5S- 0 0 11 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.524 126.6 -97.7 -87.2 -6.1 -39.6 18.2 15.4 77 79 A G T < 5S+ 0 0 43 -3,-1.0 2,-0.2 -4,-0.4 -3,-0.2 0.531 70.2 148.9 105.7 7.0 -40.3 21.1 13.0 78 80 A I < - 0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 -17,-0.1 -0.560 53.3-110.8 -75.9 136.3 -37.0 21.4 11.1 79 81 A K > - 0 0 96 -19,-0.4 3,-2.2 -2,-0.2 -17,-0.2 -0.470 16.2-132.3 -68.8 134.8 -37.6 22.7 7.5 80 82 A P G > S+ 0 0 44 0, 0.0 3,-1.9 0, 0.0 24,-1.0 0.869 106.0 61.9 -54.4 -36.8 -36.9 20.1 4.8 81 83 A Y G 3 S+ 0 0 127 1,-0.3 22,-0.1 22,-0.3 -2,-0.1 0.411 101.6 53.1 -72.5 4.6 -34.8 22.6 2.9 82 84 A R G < S+ 0 0 42 -3,-2.2 -20,-2.8 -22,-0.1 2,-0.5 0.152 89.2 102.0-119.1 13.1 -32.4 22.8 5.8 83 85 A I E < -h 62 0B 0 -3,-1.9 21,-1.9 -22,-0.2 22,-0.9 -0.879 49.5-171.6-104.6 124.7 -31.9 19.0 5.9 84 86 A V E -hi 63 105B 0 -22,-2.9 -20,-3.3 -2,-0.5 2,-0.6 -0.936 11.3-148.3-116.2 139.4 -28.8 17.4 4.5 85 87 A F E +hi 64 106B 0 20,-2.1 22,-3.3 -2,-0.4 -20,-0.2 -0.910 20.6 171.6-115.0 108.7 -28.4 13.6 4.2 86 88 A S + 0 0 8 -22,-2.9 22,-0.1 -2,-0.6 2,-0.1 -0.471 15.6 126.2-101.4 177.3 -25.0 12.0 4.5 87 89 A G > - 0 0 8 20,-0.3 3,-0.6 -2,-0.2 22,-0.4 -0.082 49.0-141.7 134.2 125.6 -24.2 8.3 4.7 88 90 A V T 3 S+ 0 0 57 1,-0.2 -1,-0.1 20,-0.1 21,-0.0 0.684 105.2 43.7 -81.0 -18.4 -22.0 5.8 3.0 89 91 A G T 3 + 0 0 60 -24,-0.2 -1,-0.2 -3,-0.0 2,-0.2 -0.124 69.6 152.9-122.6 42.4 -24.7 3.2 3.3 90 92 A K < - 0 0 19 -3,-0.6 2,-0.2 4,-0.1 -24,-0.1 -0.481 37.5-137.3 -67.6 136.9 -28.0 4.8 2.3 91 93 A S > - 0 0 56 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.544 23.8-104.2 -93.5 164.0 -30.4 2.2 1.0 92 94 A A H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 123.8 54.9 -51.7 -38.5 -32.7 2.6 -2.0 93 95 A F H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 109.8 44.5 -62.7 -46.3 -35.6 3.1 0.4 94 96 A E H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.910 114.3 49.8 -64.5 -42.7 -33.8 5.9 2.2 95 97 A I H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.973 112.9 45.8 -58.9 -56.4 -32.8 7.6 -1.0 96 98 A E H X S+ 0 0 71 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.897 114.1 48.8 -53.0 -46.8 -36.2 7.4 -2.5 97 99 A Q H X S+ 0 0 38 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.871 111.0 50.4 -64.2 -38.1 -37.9 8.7 0.7 98 100 A A H ><>S+ 0 0 0 -4,-2.3 5,-1.0 1,-0.2 3,-0.9 0.914 108.2 51.4 -67.4 -43.7 -35.4 11.6 1.0 99 101 A L H ><5S+ 0 0 11 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.835 109.4 51.5 -61.9 -34.2 -36.0 12.7 -2.6 100 102 A K H 3<5S+ 0 0 96 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.632 104.8 57.5 -77.5 -15.3 -39.7 12.7 -2.0 101 103 A L T <<5S- 0 0 52 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.389 103.8-129.4 -96.2 0.1 -39.3 14.9 1.1 102 104 A N T < 5 + 0 0 110 -3,-0.7 -3,-0.2 -4,-0.3 -19,-0.1 0.874 40.7 173.8 54.7 47.0 -37.5 17.7 -0.7 103 105 A I < - 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