==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-SEP-98 1BWZ . COMPND 2 MOLECULE: PROTEIN (DIAMINOPIMELATE EPIMERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR M.CIRILLI,R.ZHENG,G.SCAPIN,J.S.BLANCHARD . 274 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 25.5 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 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 PARALLEL BRIDGES PER LADDER . 0 1 1 4 2 3 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 . 1 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 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 35 0, 0.0 271,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.3 8.8 7.1 39.4 2 2 A Q E +A 271 0A 117 269,-0.2 15,-0.5 15,-0.1 2,-0.3 -0.696 360.0 168.7 -97.2 149.1 9.1 6.3 35.8 3 3 A F E -AB 270 16A 13 267,-2.9 267,-3.1 -2,-0.3 2,-0.4 -0.877 24.4-131.6-146.1 175.2 12.1 7.2 33.5 4 4 A S E -AB 269 15A 5 11,-2.2 11,-2.4 -2,-0.3 2,-0.4 -1.000 14.0-139.5-138.1 136.4 13.5 6.5 30.1 5 5 A K E +AB 268 14A 15 263,-2.8 262,-3.0 -2,-0.4 263,-1.1 -0.824 31.0 159.6 -99.5 134.2 17.1 5.5 29.1 6 6 A M E -AB 266 13A 1 7,-2.0 7,-2.5 -2,-0.4 2,-0.3 -0.832 19.2-152.5-140.0 176.7 18.6 7.0 26.0 7 7 A H E +AB 265 12A 74 258,-1.8 258,-2.3 5,-0.3 2,-0.3 -0.994 13.8 168.0-156.7 152.3 22.1 7.6 24.6 8 8 A G E > + B 0 11A 5 3,-3.0 3,-2.0 -2,-0.3 256,-0.1 -0.911 67.8 6.0-167.1 137.6 24.0 9.9 22.3 9 9 A L T 3 S- 0 0 25 1,-0.3 236,-0.3 -2,-0.3 235,-0.1 0.882 130.5 -54.1 54.4 42.6 27.6 10.7 21.4 10 10 A G T 3 S+ 0 0 40 234,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.310 117.8 111.0 78.5 -10.8 28.8 7.8 23.5 11 11 A N E < -B 8 0A 20 -3,-2.0 -3,-3.0 32,-0.0 2,-0.4 -0.862 54.4-154.3-103.6 129.1 27.0 9.1 26.6 12 12 A D E -B 7 0A 24 -2,-0.5 31,-2.0 -5,-0.3 32,-1.4 -0.851 16.5-166.5-101.4 132.0 23.9 7.3 28.0 13 13 A F E -Bc 6 44A 2 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.5 -0.698 23.3-139.6-116.0 168.5 21.3 9.3 29.9 14 14 A V E -Bc 5 45A 1 30,-1.0 32,-0.7 -2,-0.2 2,-0.3 -0.905 26.9-161.4-127.5 96.3 18.4 8.7 32.2 15 15 A V E -Bc 4 46A 0 -11,-2.4 -11,-2.2 -2,-0.5 2,-0.4 -0.627 5.2-166.3 -84.0 138.5 15.7 11.2 31.3 16 16 A V E -Bc 3 47A 0 30,-1.8 32,-3.0 -2,-0.3 2,-1.4 -0.984 23.4-129.5-128.8 135.8 12.9 11.9 33.8 17 17 A D E > + c 0 48A 24 -15,-0.5 3,-0.6 -2,-0.4 4,-0.2 -0.661 33.4 167.7 -84.0 90.2 9.6 13.7 33.2 18 18 A G T 3 + 0 0 15 -2,-1.4 32,-0.4 30,-0.9 -1,-0.2 0.368 63.7 77.8 -84.5 5.6 9.7 16.2 36.0 19 19 A V T 3 S+ 0 0 54 29,-0.2 -1,-0.2 30,-0.2 30,-0.1 0.815 110.0 23.0 -81.9 -33.1 6.7 18.1 34.5 20 20 A T S < S+ 0 0 95 -3,-0.6 2,-0.4 1,-0.1 -2,-0.2 0.243 122.0 65.4-115.1 9.1 4.2 15.6 35.7 21 21 A Q S S- 0 0 37 -4,-0.2 2,-0.8 2,-0.1 -1,-0.1 -0.999 72.1-140.3-135.0 135.0 6.3 14.2 38.6 22 22 A N + 0 0 177 -2,-0.4 -4,-0.1 -3,-0.0 -3,-0.1 -0.193 47.2 161.7 -86.9 44.7 7.5 16.1 41.7 23 23 A V + 0 0 27 -2,-0.8 2,-0.2 -6,-0.2 -2,-0.1 -0.186 15.7 174.4 -65.2 156.5 10.9 14.4 41.6 24 24 A F - 0 0 174 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.768 9.3-163.9-166.5 115.8 13.9 15.8 43.4 25 25 A F - 0 0 16 -2,-0.2 3,-0.0 4,-0.1 -2,-0.0 -0.775 5.3-151.8-107.9 151.7 17.3 14.1 43.6 26 26 A T > - 0 0 56 -2,-0.3 4,-2.3 1,-0.1 5,-0.3 -0.857 39.4 -98.1-116.6 152.8 20.2 14.8 45.9 27 27 A P H > S+ 0 0 70 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.823 126.0 49.7 -34.6 -46.0 23.9 14.2 45.2 28 28 A E H > S+ 0 0 112 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.981 110.0 47.6 -59.9 -61.0 23.7 10.9 47.0 29 29 A T H > S+ 0 0 22 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.919 114.7 47.0 -45.4 -55.5 20.6 9.7 45.2 30 30 A I H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.912 112.3 49.6 -55.2 -47.1 22.1 10.6 41.9 31 31 A R H X S+ 0 0 127 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.883 112.9 48.5 -60.6 -38.9 25.4 8.9 42.7 32 32 A R H >< S+ 0 0 108 -4,-2.9 3,-1.1 2,-0.2 -2,-0.2 0.953 114.6 43.0 -66.0 -51.2 23.5 5.8 43.9 33 33 A L H 3< S+ 0 0 4 -4,-3.0 8,-3.3 1,-0.3 7,-1.0 0.843 107.6 61.4 -63.7 -35.5 21.3 5.6 40.7 34 34 A A H 3< S+ 0 0 11 -4,-2.7 8,-1.2 -5,-0.3 -1,-0.3 0.687 78.9 112.8 -65.7 -17.9 24.3 6.4 38.6 35 35 A N S- 0 0 56 -2,-2.5 3,-0.8 3,-0.2 -1,-0.0 -0.768 71.2-145.6-167.3 114.4 8.1 31.6 31.6 54 54 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.672 99.7 64.7 -58.6 -17.1 5.2 31.7 29.0 55 55 A E T 3 S+ 0 0 164 -3,-0.0 2,-0.2 2,-0.0 41,-0.1 0.903 97.3 59.3 -73.3 -43.9 7.8 32.3 26.3 56 56 A L < - 0 0 25 -3,-0.8 -3,-0.2 1,-0.1 41,-0.2 -0.530 65.8-151.5 -89.2 154.5 9.6 29.0 26.7 57 57 A D S S- 0 0 41 39,-2.7 2,-0.3 1,-0.2 40,-0.2 0.877 74.7 -4.5 -88.8 -46.1 8.2 25.5 26.2 58 58 A F E - e 0 97A 12 38,-1.5 40,-1.4 -8,-0.1 2,-0.3 -0.874 53.6-152.1-142.3 173.4 10.4 23.5 28.6 59 59 A H E -De 49 98A 33 -10,-1.9 -10,-2.8 -2,-0.3 2,-0.3 -0.980 17.4-176.6-148.6 140.1 13.4 23.8 30.9 60 60 A Y E -D 48 0A 1 38,-1.8 2,-0.4 -2,-0.3 40,-0.3 -0.979 15.8-153.7-142.9 155.7 15.8 21.1 31.9 61 61 A R E -D 47 0A 76 -14,-1.3 -14,-1.6 -2,-0.3 2,-0.1 -0.970 14.1-146.8-134.3 118.7 18.9 20.5 34.1 62 62 A I E -D 46 0A 5 -2,-0.4 2,-0.4 8,-0.3 -16,-0.2 -0.415 13.5-151.4 -78.2 155.8 21.5 17.9 33.4 63 63 A F E -D 45 0A 16 -18,-0.7 -18,-1.6 6,-0.2 6,-0.2 -0.993 10.3-128.1-134.3 139.2 23.3 16.1 36.3 64 64 A N E > -D 44 0A 56 4,-2.7 3,-2.4 -2,-0.4 -20,-0.2 -0.488 31.6-112.2 -79.8 152.8 26.8 14.6 36.5 65 65 A A T 3 S+ 0 0 35 -22,-0.9 -31,-0.2 1,-0.3 -1,-0.1 0.656 120.9 64.4 -59.0 -11.9 27.2 11.0 37.7 66 66 A D T 3 S- 0 0 111 2,-0.2 -1,-0.3 -32,-0.0 -35,-0.3 0.726 119.8-110.9 -81.9 -25.5 28.7 12.7 40.7 67 67 A G S < S+ 0 0 6 -3,-2.4 2,-0.3 1,-0.4 -2,-0.1 0.296 74.5 133.8 110.3 -7.3 25.5 14.4 41.6 68 68 A S - 0 0 62 -41,-0.1 -4,-2.7 1,-0.1 2,-1.6 -0.601 63.2-121.1 -78.5 132.9 26.6 17.9 40.7 69 69 A E - 0 0 60 -2,-0.3 -6,-0.2 -6,-0.2 -1,-0.1 -0.569 39.7-168.3 -76.2 89.3 24.2 19.9 38.6 70 70 A V - 0 0 39 -2,-1.6 -8,-0.3 -8,-0.1 30,-0.2 -0.107 16.5-174.1 -71.4 175.3 26.3 20.6 35.5 71 71 A S + 0 0 29 -10,-0.1 2,-0.3 29,-0.1 -2,-0.0 -0.264 40.2 92.4-172.4 72.1 25.4 23.0 32.7 72 72 A Q > + 0 0 40 3,-0.0 3,-0.9 85,-0.0 146,-0.2 -0.988 64.4 34.4-163.8 160.4 27.7 23.1 29.7 73 73 A a T 3 S- 0 0 0 -2,-0.3 145,-0.9 1,-0.2 146,-0.2 0.488 101.0 -99.6 69.7 3.9 28.4 21.7 26.2 74 74 A G T > - 0 0 13 144,-0.2 3,-0.9 1,-0.1 -1,-0.2 0.907 61.4-174.6 49.1 47.4 24.6 21.5 25.7 75 75 A N T < + 0 0 16 -3,-0.9 -1,-0.1 1,-0.2 -13,-0.1 -0.427 59.5 13.2 -75.5 147.6 24.6 17.8 26.5 76 76 A G T 3> S+ 0 0 0 -2,-0.1 4,-1.6 -68,-0.1 -1,-0.2 0.753 83.1 130.6 61.0 24.5 21.5 15.7 26.2 77 77 A A H <> S+ 0 0 0 -3,-0.9 4,-1.4 2,-0.2 -2,-0.1 0.875 77.5 41.1 -73.7 -37.6 19.8 18.5 24.2 78 78 A R H > S+ 0 0 7 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.843 112.4 54.9 -76.6 -36.1 18.8 16.1 21.5 79 79 A C H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 108.1 50.4 -63.8 -38.2 17.8 13.4 24.1 80 80 A F H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.902 112.4 46.7 -65.5 -42.6 15.6 16.0 25.7 81 81 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.943 114.9 45.2 -64.9 -49.4 14.0 16.8 22.3 82 82 A R H X S+ 0 0 15 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.896 116.3 46.6 -61.9 -42.1 13.5 13.1 21.4 83 83 A F H X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.945 108.8 54.2 -65.2 -50.1 12.1 12.3 24.8 84 84 A V H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 6,-0.7 0.789 116.1 38.9 -55.8 -32.7 9.8 15.2 25.0 85 85 A T H ><5S+ 0 0 41 -4,-1.5 3,-0.9 3,-0.2 -1,-0.2 0.877 112.8 53.8 -86.1 -43.0 8.2 14.3 21.7 86 86 A L H 3<5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.920 111.7 44.9 -57.7 -47.6 8.2 10.5 22.1 87 87 A K T 3<5S- 0 0 87 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.525 116.1-119.6 -75.9 -4.5 6.3 10.7 25.5 88 88 A G T < 5 + 0 0 54 -3,-0.9 -3,-0.2 -5,-0.2 -2,-0.1 0.908 66.1 142.8 68.6 44.3 4.0 13.3 23.8 89 89 A L S - 0 0 73 4,-2.8 3,-1.8 -2,-0.9 -1,-0.0 -0.355 21.7-119.2 -72.6 153.8 13.8 16.9 11.7 110 110 A D T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.792 114.5 70.4 -62.1 -26.5 11.8 14.4 9.7 111 111 A M T 3 S- 0 0 152 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.337 120.3-112.5 -72.4 9.0 15.0 12.4 9.5 112 112 A N S < S+ 0 0 98 -3,-1.8 152,-0.4 1,-0.3 2,-0.2 0.594 80.8 127.8 68.5 10.5 14.5 11.9 13.2 113 113 A Q - 0 0 59 150,-0.1 -4,-2.8 148,-0.0 2,-0.6 -0.610 58.5-127.8 -94.2 158.0 17.5 14.0 13.8 114 114 A I E -GH 108 262A 0 148,-2.9 148,-1.7 -6,-0.2 2,-0.5 -0.932 15.2-158.9-114.9 118.1 17.5 17.0 16.2 115 115 A R E -GH 107 261A 52 -8,-2.9 -8,-3.0 -2,-0.6 2,-0.4 -0.825 11.8-161.0 -95.7 124.9 18.7 20.4 15.0 116 116 A V E -GH 106 260A 0 144,-2.3 144,-2.7 -2,-0.5 2,-0.7 -0.857 13.1-141.9-110.5 142.3 19.8 22.8 17.7 117 117 A N E +GH 105 259A 38 -12,-1.9 -12,-0.9 -2,-0.4 142,-0.2 -0.884 17.2 179.1-103.6 106.8 20.1 26.6 17.5 118 118 A M - 0 0 21 140,-3.0 141,-0.1 -2,-0.7 -1,-0.1 0.236 39.6-129.4 -90.6 13.7 23.1 27.7 19.5 119 119 A G - 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