==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-JUN-07 2Q9H . COMPND 2 MOLECULE: DIAMINOPIMELATE EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR B.PILLAI,M.CHERNEY,C.M.DIAPER,A.SUTHERLAND,J.S.BLANCHARD,J.C . 274 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 70.4 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 . 76 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 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 . 31 11.3 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 . 1 2 0 4 4 2 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 0 0 1 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 45 0, 0.0 271,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.9 7.8 7.0 39.7 2 2 A Q E +A 271 0A 138 269,-0.2 15,-0.4 15,-0.1 2,-0.3 -0.680 360.0 164.3 -96.0 150.6 8.1 6.5 35.9 3 3 A F E -A 270 0A 15 267,-2.1 267,-3.5 -2,-0.3 2,-0.3 -0.969 24.8-137.0-155.7 164.7 11.3 7.2 34.0 4 4 A S E -AB 269 15A 0 11,-2.4 11,-3.1 -2,-0.3 2,-0.5 -0.948 12.1-138.6-127.7 150.1 12.8 6.4 30.6 5 5 A K E +AB 268 14A 17 263,-2.9 262,-3.0 -2,-0.3 263,-1.1 -0.929 33.6 160.5-109.3 133.7 16.3 5.3 29.6 6 6 A M E -AB 266 13A 0 7,-2.7 7,-2.3 -2,-0.5 2,-0.3 -0.897 20.7-154.5-143.6 170.0 17.9 7.0 26.6 7 7 A H E -AB 265 12A 78 258,-1.8 258,-2.5 -2,-0.3 2,-0.3 -0.995 8.3-177.4-150.7 151.7 21.3 7.5 25.1 8 8 A G E > - B 0 11A 8 3,-2.7 3,-1.5 -2,-0.3 256,-0.1 -0.884 66.5 -31.6-152.9 117.0 23.0 10.0 22.7 9 9 A L T 3 S- 0 0 28 -2,-0.3 236,-0.2 1,-0.3 235,-0.2 0.885 127.9 -23.6 37.1 89.2 26.6 9.8 21.5 10 10 A G T 3 S+ 0 0 34 234,-0.6 2,-0.4 233,-0.1 -1,-0.3 0.185 120.9 90.5 73.2 -21.1 28.6 8.2 24.3 11 11 A N E < -B 8 0A 25 -3,-1.5 -3,-2.7 -2,-0.1 2,-0.5 -0.914 55.5-158.5-116.5 140.5 26.2 9.1 27.1 12 12 A D E -B 7 0A 23 -2,-0.4 31,-2.4 -5,-0.2 32,-1.2 -0.954 17.7-167.4-115.1 125.5 23.2 7.3 28.6 13 13 A F E -Bc 6 44A 6 -7,-2.3 -7,-2.7 -2,-0.5 2,-0.5 -0.760 24.3-142.0-112.9 159.0 20.6 9.2 30.5 14 14 A V E -Bc 5 45A 3 30,-1.5 32,-2.8 -2,-0.3 2,-0.5 -0.979 30.2-159.9-111.2 124.5 17.6 8.5 32.8 15 15 A V E -Bc 4 46A 0 -11,-3.1 -11,-2.4 -2,-0.5 2,-0.4 -0.942 6.4-166.0-114.3 133.2 15.0 11.0 31.8 16 16 A V E - c 0 47A 0 30,-2.9 32,-2.8 -2,-0.5 2,-1.3 -0.952 24.8-128.1-125.4 137.5 12.1 11.9 34.1 17 17 A D E + c 0 48A 21 -2,-0.4 -15,-0.1 -15,-0.4 32,-0.1 -0.670 33.3 168.9 -79.0 97.3 8.9 13.7 33.6 18 18 A G + 0 0 14 30,-1.8 32,-0.4 -2,-1.3 5,-0.2 0.162 65.0 70.8 -96.3 18.8 9.1 16.3 36.4 19 19 A V S S+ 0 0 56 30,-0.2 -1,-0.1 3,-0.1 31,-0.1 0.875 109.7 24.4 -95.4 -57.2 6.1 18.2 34.9 20 20 A T S S+ 0 0 98 29,-0.0 2,-0.4 2,-0.0 -2,-0.1 0.281 128.2 57.1 -91.4 7.2 3.2 15.9 35.6 21 21 A Q S S- 0 0 39 -4,-0.1 2,-0.9 -5,-0.1 -5,-0.0 -0.998 79.9-132.9-138.6 139.8 5.2 14.4 38.5 22 22 A N - 0 0 169 -2,-0.4 2,-0.4 2,-0.0 -3,-0.1 -0.839 38.5-179.4 -93.5 108.3 6.8 16.1 41.5 23 23 A V + 0 0 29 -2,-0.9 2,-0.3 -5,-0.2 -2,-0.0 -0.898 15.5 166.6-118.4 142.9 10.3 14.7 41.7 24 24 A F - 0 0 168 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.986 8.8-172.3-149.6 139.2 13.2 15.3 44.0 25 25 A F - 0 0 14 -2,-0.3 -2,-0.0 42,-0.1 0, 0.0 -0.987 20.5-136.1-137.2 124.4 16.4 13.4 44.5 26 26 A T > - 0 0 53 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.433 36.7-109.1 -70.3 153.0 19.0 14.0 47.3 27 27 A P H > S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.838 123.3 56.2 -53.0 -28.4 22.5 14.0 45.8 28 28 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.949 104.0 48.7 -67.2 -52.6 22.8 10.7 47.6 29 29 A T H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.882 110.0 53.7 -56.3 -40.4 19.8 9.1 46.0 30 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.938 107.1 50.3 -61.0 -46.6 21.1 10.1 42.6 31 31 A R H X S+ 0 0 122 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.882 111.2 49.8 -59.4 -38.2 24.4 8.4 43.3 32 32 A R H >< S+ 0 0 117 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.949 112.8 45.4 -66.0 -48.1 22.6 5.3 44.3 33 33 A L H 3< S+ 0 0 5 -4,-2.7 8,-2.6 1,-0.2 7,-1.4 0.812 109.5 55.3 -66.2 -31.6 20.4 5.3 41.1 34 34 A A H 3< S+ 0 0 9 -4,-2.5 8,-1.3 6,-0.2 -1,-0.2 0.750 81.2 108.9 -73.5 -24.0 23.4 6.0 38.8 35 35 A N S- 0 0 69 3,-0.2 3,-2.0 4,-0.0 -1,-0.2 -0.699 70.1-146.5-171.0 110.6 7.7 31.4 31.8 54 54 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.619 99.5 59.5 -58.8 -14.4 4.7 31.8 29.3 55 55 A E T 3 S+ 0 0 160 -4,-0.1 2,-0.3 -3,-0.0 41,-0.0 0.489 99.8 63.1 -94.6 -4.9 7.2 32.2 26.5 56 56 A L < - 0 0 29 -3,-2.0 -3,-0.2 1,-0.1 41,-0.2 -0.843 63.3-150.7-119.0 157.9 8.9 28.8 26.9 57 57 A D S S- 0 0 35 39,-2.1 2,-0.3 -2,-0.3 40,-0.2 0.827 74.6 -9.3 -92.5 -39.3 7.6 25.3 26.6 58 58 A F E - e 0 97A 16 38,-1.6 40,-1.8 -8,-0.2 2,-0.3 -0.933 47.9-149.0-152.0 174.3 9.9 23.5 29.1 59 59 A H E -De 49 98A 31 -10,-2.0 -10,-3.1 -2,-0.3 2,-0.3 -0.918 19.2-169.3-140.9 156.7 12.9 23.7 31.3 60 60 A Y E -D 48 0A 6 38,-1.4 40,-0.4 -2,-0.3 2,-0.3 -0.974 9.7-152.9-156.2 143.2 15.2 20.8 32.3 61 61 A R E -D 47 0A 96 -14,-1.9 -14,-2.4 -2,-0.3 2,-0.4 -0.846 9.2-149.8-113.7 152.5 18.0 20.2 34.7 62 62 A I E -DF 46 70A 8 8,-0.6 8,-2.8 -2,-0.3 2,-0.4 -0.967 8.9-168.6-123.3 136.9 20.9 17.7 34.4 63 63 A F E -DF 45 69A 28 -18,-2.5 -18,-2.7 -2,-0.4 6,-0.2 -0.973 14.9-136.6-124.3 140.1 22.6 16.0 37.2 64 64 A N E > -D 44 0A 37 4,-2.2 3,-2.4 -2,-0.4 -20,-0.2 -0.352 39.5 -91.1 -86.4 175.3 25.9 14.0 37.0 65 65 A A T 3 S+ 0 0 43 -22,-0.8 -31,-0.2 1,-0.3 -30,-0.1 0.693 124.7 65.3 -58.9 -20.5 26.5 10.7 38.7 66 66 A D T 3 S- 0 0 106 2,-0.1 -1,-0.3 -32,-0.1 -35,-0.2 0.528 117.0-111.4 -79.8 -7.7 27.8 12.5 41.7 67 67 A G S < S+ 0 0 6 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.562 74.9 131.3 88.9 9.7 24.4 14.0 42.4 68 68 A S - 0 0 63 -41,-0.1 -4,-2.2 -4,-0.1 -1,-0.3 -0.755 60.4-118.2 -98.3 141.6 25.4 17.6 41.5 69 69 A E E -F 63 0A 54 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.3 -0.531 37.6-165.4 -74.4 144.3 23.4 19.8 39.1 70 70 A V E -F 62 0A 32 -8,-2.8 -8,-0.6 -2,-0.2 2,-0.5 -0.920 20.6-148.1-133.0 158.4 25.4 20.8 36.0 71 71 A S + 0 0 56 -2,-0.3 2,-0.5 29,-0.1 -10,-0.0 -0.879 26.3 159.2-129.6 100.2 25.2 23.3 33.2 72 72 A Q > - 0 0 58 -2,-0.5 3,-2.4 3,-0.2 146,-0.1 -0.933 46.9-113.9-124.6 106.2 26.6 22.2 29.9 73 73 A S T 3 S- 0 0 16 -2,-0.5 146,-0.7 1,-0.3 3,-0.1 -0.076 96.1 -3.3 -40.5 115.1 25.3 24.1 26.9 74 74 A G T > S+ 0 0 3 1,-0.3 3,-1.8 144,-0.1 4,-0.4 0.168 92.0 141.6 87.2 -19.3 23.3 21.8 24.7 75 75 A N T < S+ 0 0 24 -3,-2.4 -1,-0.3 1,-0.3 -3,-0.2 -0.328 76.2 5.0 -61.6 134.4 23.9 18.6 26.7 76 76 A G T 3> S+ 0 0 6 -3,-0.1 4,-2.3 -68,-0.1 -1,-0.3 0.422 93.9 122.0 73.3 -0.7 20.9 16.3 26.9 77 77 A A H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 5,-0.1 0.908 72.8 46.1 -60.5 -44.0 19.0 18.6 24.5 78 78 A R H > S+ 0 0 26 -4,-0.4 4,-2.2 2,-0.2 5,-0.2 0.913 113.1 47.5 -68.4 -42.7 18.3 15.9 22.0 79 79 A C H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.889 112.5 52.5 -65.3 -36.4 17.2 13.2 24.4 80 80 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.937 108.6 49.1 -63.0 -47.3 15.0 15.8 26.0 81 81 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.903 113.5 45.3 -61.5 -42.5 13.4 16.7 22.7 82 82 A R H X S+ 0 0 14 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.877 111.7 54.1 -70.2 -33.9 12.6 13.1 21.8 83 83 A F H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 6,-0.3 0.958 108.5 45.7 -64.7 -52.5 11.3 12.3 25.3 84 84 A V H <>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 6,-1.1 0.836 116.6 48.6 -61.9 -30.0 8.8 15.1 25.4 85 85 A T H ><5S+ 0 0 45 -4,-1.3 3,-1.9 -5,-0.3 -2,-0.2 0.982 113.0 44.3 -71.8 -58.1 7.7 14.1 21.9 86 86 A L H 3<5S+ 0 0 91 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.872 115.1 49.5 -52.7 -42.6 7.4 10.4 22.6 87 87 A K T 3<5S- 0 0 81 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.432 110.6-120.5 -80.7 1.4 5.6 11.0 25.9 88 88 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.724 71.0 135.2 67.9 20.2 3.1 13.4 24.3 89 89 A L S - 0 0 52 4,-2.7 3,-1.9 -2,-1.0 -1,-0.0 -0.227 17.4-115.2 -66.6 157.0 13.4 16.7 12.1 110 110 A D T 3 S+ 0 0 149 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.773 117.6 59.9 -62.6 -27.9 11.4 14.6 9.7 111 111 A D T 3 S- 0 0 93 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.402 123.1-107.8 -81.5 3.4 14.3 12.1 9.6 112 112 A N S < S+ 0 0 100 -3,-1.9 152,-0.3 1,-0.3 2,-0.2 0.580 80.8 125.1 81.4 12.6 13.8 11.7 13.4 113 113 A Q - 0 0 52 150,-0.1 -4,-2.7 148,-0.0 2,-0.5 -0.583 60.8-118.3 -96.1 164.5 17.0 13.6 14.3 114 114 A I E -HI 108 262A 0 148,-2.9 148,-2.0 -6,-0.2 2,-0.6 -0.918 18.8-159.9-110.5 126.3 17.1 16.6 16.6 115 115 A R E -HI 107 261A 55 -8,-3.0 -8,-2.4 -2,-0.5 2,-0.5 -0.912 10.7-158.8-105.3 118.3 18.3 20.0 15.3 116 116 A V E -HI 106 260A 0 144,-3.6 144,-2.3 -2,-0.6 2,-1.1 -0.854 12.3-144.1-103.7 124.9 19.4 22.4 18.1 117 117 A N E +HI 105 259A 43 -12,-2.7 -12,-0.7 -2,-0.5 142,-0.2 -0.735 19.7 179.9 -85.5 100.9 19.5 26.1 17.6 118 118 A M - 0 0 22 140,-2.2 -1,-0.2 -2,-1.1 141,-0.1 0.397 37.1-127.3 -82.3 2.5 22.6 27.1 19.6 119 119 A G - 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