==== 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 OXIDOREDUCTASE 14-SEP-94 1DIH . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.SCAPIN,J.S.BLANCHARD,J.C.SACCHETTINI . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 7.4 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 0.4 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-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 . 24 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.8 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 1 0 0 0 0 0 1 0 1 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 2 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 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 1 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 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 2 A H 0 0 63 0, 0.0 30,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 -47.9 20.3 -11.5 17.3 2 3 A D + 0 0 71 28,-0.2 27,-0.3 1,-0.2 2,-0.2 0.563 360.0 142.4 79.4 109.7 17.2 -12.1 15.2 3 4 A A - 0 0 24 26,-0.2 28,-0.6 25,-0.1 2,-0.3 -0.719 67.1 -72.2-180.0 137.9 14.2 -11.8 17.5 4 5 A N B S+A 30 0A 170 -2,-0.2 2,-0.5 26,-0.2 26,-0.2 0.365 112.0 64.6 -2.3 -37.9 10.7 -10.6 17.6 5 6 A I E S-b 30 0A 13 24,-1.9 26,-4.0 -2,-0.3 2,-0.4 -0.860 72.1-149.2-115.6 136.1 11.8 -6.9 17.7 6 7 A R E -b 31 0A 12 -2,-0.5 67,-3.2 24,-0.2 68,-3.0 -0.820 12.7-161.7-109.4 128.8 13.7 -5.2 14.9 7 8 A V E -c 74 0B 0 24,-2.3 27,-0.4 -2,-0.4 2,-0.4 -0.880 15.2-167.9-130.0 129.1 16.2 -2.4 15.2 8 9 A A E -c 75 0B 0 66,-2.2 68,-4.0 -2,-0.5 2,-0.5 -0.799 11.3-159.9-109.7 138.5 17.8 0.3 13.2 9 10 A I E > -cd 76 35B 0 25,-1.6 27,-1.1 -2,-0.4 3,-0.5 -0.970 5.7-161.5-121.2 105.7 20.8 2.1 14.4 10 11 A A T 3 S+ 0 0 1 66,-1.6 68,-0.3 -2,-0.5 27,-0.1 -0.291 76.4 46.2 -79.2 169.0 21.5 5.4 12.8 11 12 A G T > S+ 0 0 23 66,-0.1 3,-3.2 1,-0.1 6,-0.5 0.769 75.2 176.0 71.6 17.8 25.0 6.9 13.2 12 13 A A T < S+ 0 0 7 24,-2.5 25,-0.2 -3,-0.5 9,-0.1 0.663 71.8 38.8 -35.2 -35.5 26.4 3.4 12.3 13 14 A G T 3 S+ 0 0 34 23,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.243 97.5 108.9-103.5 19.1 30.0 4.2 12.2 14 15 A G S <> S- 0 0 31 -3,-3.2 4,-2.8 -4,-0.1 5,-0.2 -0.372 86.6 -94.5 -90.2 174.1 29.9 6.6 15.2 15 16 A R H > S+ 0 0 195 1,-0.2 4,-0.9 2,-0.2 5,-0.1 0.959 128.2 26.8 -54.2 -46.6 31.3 6.1 18.7 16 17 A M H > S+ 0 0 17 62,-0.2 4,-3.8 2,-0.2 5,-0.3 0.772 112.0 68.7 -80.3 -36.7 28.0 4.8 20.0 17 18 A G H > S+ 0 0 1 -6,-0.5 4,-1.4 61,-0.2 -2,-0.2 0.952 99.9 52.3 -47.9 -45.8 26.8 3.4 16.6 18 19 A R H >X S+ 0 0 11 -4,-2.8 4,-1.3 -7,-0.2 3,-0.7 0.942 115.7 38.1 -54.9 -59.5 29.5 0.8 16.9 19 20 A Q H 3X S+ 0 0 43 -4,-0.9 4,-2.8 1,-0.3 5,-0.2 0.804 107.4 61.7 -57.8 -48.3 28.5 -0.3 20.4 20 21 A L H 3X S+ 0 0 0 -4,-3.8 4,-2.0 2,-0.2 -1,-0.3 0.861 104.5 56.3 -51.1 -27.5 24.8 -0.0 19.8 21 22 A I H < S- 0 0 31 -4,-2.7 3,-1.7 -5,-0.1 -1,-0.1 -0.493 77.0-119.8 -64.9 116.6 20.4 -8.8 23.5 28 29 A E T 3 S+ 0 0 174 -2,-0.5 -25,-0.1 1,-0.2 -1,-0.1 -0.071 95.9 24.6 -51.9 128.1 17.9 -11.6 23.3 29 30 A G T 3 S+ 0 0 22 -27,-0.3 -24,-1.9 1,-0.2 2,-0.4 0.457 103.7 93.1 97.3 -5.2 14.6 -10.7 21.5 30 31 A V E < -Ab 4 5A 0 -3,-1.7 2,-0.4 -6,-0.2 -1,-0.2 -0.996 54.8-167.1-121.7 133.6 16.1 -7.8 19.5 31 32 A Q E - b 0 6A 71 -26,-4.0 -24,-2.3 -28,-0.6 2,-1.1 -0.973 33.6-103.9-126.3 138.3 17.4 -8.3 16.1 32 33 A L + 0 0 4 -2,-0.4 -24,-0.1 -26,-0.2 27,-0.1 -0.434 41.5 177.2 -60.1 90.7 19.6 -5.8 14.1 33 34 A G - 0 0 7 -2,-1.1 2,-0.3 1,-0.2 -25,-0.3 0.981 57.8 -20.6 -54.1 -76.3 17.0 -4.3 11.6 34 35 A A - 0 0 1 -27,-0.4 -25,-1.6 25,-0.1 2,-0.4 -0.922 49.7-143.7-135.4 167.0 19.1 -1.8 9.7 35 36 A A E -de 9 61B 0 25,-0.7 27,-1.6 -2,-0.3 -25,-0.2 -0.876 22.4-162.2-137.3 104.2 22.3 0.3 10.0 36 37 A L E + e 0 62B 9 -27,-1.1 -24,-2.5 -2,-0.4 2,-0.3 -0.497 10.1 177.8 -89.0 158.1 22.5 3.8 8.6 37 38 A E - 0 0 41 25,-1.5 2,-0.6 -26,-0.2 8,-0.0 -0.832 37.8 -84.1-145.5 173.4 25.3 6.0 7.8 38 39 A R > - 0 0 191 -2,-0.3 3,-5.6 1,-0.1 5,-0.2 -0.822 43.8-110.7 -94.8 117.6 25.8 9.4 6.3 39 40 A E T 3 S+ 0 0 172 -2,-0.6 5,-0.1 1,-0.3 -1,-0.1 0.481 119.2 55.5 -4.0 -68.6 25.8 9.8 2.5 40 41 A G T 3 S+ 0 0 83 2,-0.0 -1,-0.3 4,-0.0 4,-0.1 0.833 89.5 144.3 -48.0 -26.4 29.5 10.6 2.1 41 42 A S X - 0 0 16 -3,-5.6 3,-0.5 1,-0.1 -2,-0.1 0.286 42.6-168.2 -22.1 118.4 29.7 7.3 4.0 42 43 A S T 3 S+ 0 0 110 1,-0.2 -1,-0.1 3,-0.1 4,-0.1 0.466 91.8 58.1 -84.5 -10.8 32.6 4.9 3.2 43 44 A L T 3 S+ 0 0 63 -5,-0.2 18,-0.3 19,-0.1 -1,-0.2 0.358 88.4 133.4-102.1 3.5 30.9 2.1 5.2 44 45 A L < - 0 0 44 -3,-0.5 2,-5.1 1,-0.2 18,-0.2 0.040 65.7 -1.0 -52.4 157.2 28.0 2.5 2.9 45 46 A G S S+ 0 0 36 16,-1.6 2,-0.3 15,-0.2 -1,-0.2 0.008 134.4 28.1 54.7 -36.6 26.0 -0.1 1.2 46 47 A S + 0 0 62 -2,-5.1 14,-0.1 14,-0.2 13,-0.0 -0.927 69.1 93.5-154.5 135.9 28.2 -2.7 2.6 47 48 A D > - 0 0 76 -2,-0.3 3,-1.0 0, 0.0 -1,-0.1 0.064 67.6-159.0 158.5 24.0 30.4 -3.1 5.7 48 49 A A T 3 - 0 0 20 1,-0.2 9,-0.6 13,-0.1 10,-0.2 -0.064 52.7 -40.1 -25.4 103.6 27.5 -4.8 7.2 49 50 A G T 3 S+ 0 0 4 7,-0.1 -1,-0.2 1,-0.1 10,-0.1 0.902 95.5 125.1 28.8 67.3 27.6 -4.8 11.0 50 51 A E < + 0 0 74 -3,-1.0 -1,-0.1 6,-0.1 4,-0.1 -0.472 50.3 79.9-149.6 55.3 31.3 -5.6 11.3 51 52 A L S S+ 0 0 85 2,-0.3 3,-0.1 -33,-0.2 -33,-0.1 0.175 96.2 49.6-118.1 -35.9 32.3 -2.7 13.5 52 53 A A S S- 0 0 12 1,-0.2 -2,-0.0 3,-0.1 -3,-0.0 0.284 119.4-119.5 -80.6 5.4 30.9 -4.7 16.4 53 54 A G S S+ 0 0 42 2,-0.1 -2,-0.3 1,-0.1 -1,-0.2 -0.031 74.3 120.7 63.3 178.5 33.0 -7.7 15.2 54 55 A A S S- 0 0 68 -4,-0.1 -1,-0.1 -3,-0.1 -2,-0.0 0.672 70.8-127.1 99.5 27.1 30.8 -10.8 14.3 55 56 A G S S+ 0 0 29 2,-0.1 2,-0.4 -4,-0.0 -2,-0.1 -0.145 79.2 12.2 38.6-101.9 32.0 -10.9 10.7 56 57 A K + 0 0 157 1,-0.1 -7,-0.1 -6,-0.1 -6,-0.1 -0.809 53.0 173.4-108.7 135.9 28.8 -10.9 8.8 57 58 A T - 0 0 39 -9,-0.6 2,-0.7 -2,-0.4 -8,-0.1 0.321 47.0-117.0-121.5 -1.4 25.3 -10.2 10.1 58 59 A G S S+ 0 0 78 -10,-0.2 2,-0.1 1,-0.2 -10,-0.1 -0.246 85.1 99.9 96.4 -47.2 23.1 -10.1 7.0 59 60 A V - 0 0 28 -2,-0.7 -2,-0.4 -27,-0.1 2,-0.3 -0.481 61.5-147.7 -74.4 152.4 22.1 -6.4 7.4 60 61 A T - 0 0 49 -12,-0.1 -25,-0.7 -2,-0.1 2,-0.4 -0.925 19.9-103.2-134.7 135.1 23.9 -3.7 5.4 61 62 A V E +e 35 0B 8 -2,-0.3 -16,-1.6 -18,-0.3 -25,-0.2 -0.421 49.5 174.5 -62.4 118.9 24.9 -0.1 5.9 62 63 A Q E -e 36 0B 57 -27,-1.6 -25,-1.5 -2,-0.4 -19,-0.1 -0.259 34.5-147.4-108.6-164.6 22.5 2.1 4.0 63 64 A S S S+ 0 0 50 -27,-0.2 2,-0.5 1,-0.2 -24,-0.3 0.428 72.0 75.6-142.0 -13.1 21.8 5.9 3.6 64 65 A S - 0 0 38 1,-0.2 -1,-0.2 -25,-0.0 5,-0.1 -0.950 56.3-155.5-117.8 127.5 18.0 6.1 3.1 65 66 A L S >> S+ 0 0 26 -2,-0.5 3,-1.9 1,-0.2 4,-0.9 0.946 105.6 42.9 -59.7 -51.3 15.3 5.8 5.6 66 67 A D T 34 S+ 0 0 114 1,-0.3 -1,-0.2 2,-0.2 4,-0.2 0.839 101.8 69.5 -68.2 -21.0 12.8 4.7 2.9 67 68 A A T 34 S+ 0 0 55 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.537 125.9 8.9 -66.0 -5.7 15.5 2.5 1.4 68 69 A V T X4 S+ 0 0 2 -3,-1.9 3,-3.2 -4,-0.1 4,-0.5 0.277 83.3 130.8-156.2 5.2 15.0 0.4 4.6 69 70 A K T 3< S+ 0 0 59 -4,-0.9 3,-0.1 1,-0.3 -3,-0.1 0.611 79.4 47.9 -57.0 -2.2 12.1 1.8 6.2 70 71 A D T 3 S+ 0 0 105 -4,-0.2 -1,-0.3 1,-0.1 -4,-0.1 0.229 90.9 78.4-121.7 17.1 10.6 -1.7 6.5 71 72 A D S < S+ 0 0 87 -3,-3.2 2,-0.3 1,-0.0 -2,-0.1 0.564 95.1 46.9 -94.1 -8.6 13.7 -3.5 7.9 72 73 A F - 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0 0 28 -5,-4.4 -1,-0.2 -6,-0.2 -22,-0.2 -0.810 33.5-134.0 -89.0 122.8 8.2 4.1 13.9 97 98 A G E -f 74 0B 5 -24,-1.0 -22,-3.1 -2,-0.6 2,-0.4 -0.484 26.1-147.3 -71.7 145.4 8.9 4.1 17.6 98 99 A M E -fg 75 122B 0 23,-1.7 25,-3.2 -24,-0.2 2,-0.5 -0.911 21.7-158.8-120.5 159.4 12.2 5.8 18.6 99 100 A V E -fg 76 123B 0 -24,-3.1 -22,-2.3 -2,-0.4 2,-0.5 -0.959 23.7-168.1-131.8 111.8 14.9 5.6 21.1 100 101 A I E +fg 77 124B 0 23,-2.1 25,-1.6 -2,-0.5 -22,-0.2 -0.896 29.3 154.9-115.5 125.2 16.8 8.8 21.4 101 102 A G + 0 0 10 -24,-2.4 -23,-0.2 -2,-0.5 -1,-0.1 0.576 38.9 122.8-118.2 -16.9 20.0 9.3 23.2 102 103 A T - 0 0 5 -25,-1.5 2,-0.3 -22,-0.1 3,-0.2 -0.099 47.1-155.1 -42.0 138.3 21.1 12.4 21.2 103 104 A T + 0 0 99 -24,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.728 57.4 57.8-118.3 167.7 21.8 15.4 23.4 104 105 A G + 0 0 65 -2,-0.3 -1,-0.2 1,-0.2 5,-0.1 0.671 56.7 156.3 95.2 13.9 21.9 19.1 22.9 105 106 A F - 0 0 18 -3,-0.2 2,-0.2 4,-0.1 -1,-0.2 -0.255 34.8-136.1 -65.2 162.9 18.4 19.8 21.7 106 107 A D > - 0 0 98 -25,-0.0 4,-2.0 1,-0.0 5,-0.1 -0.523 39.5 -84.1-102.8-171.5 17.2 23.4 22.3 107 108 A E H > S+ 0 0 166 1,-0.2 4,-2.4 -2,-0.2 5,-0.3 0.920 132.1 53.4 -64.3 -41.1 13.9 24.1 23.5 108 109 A A H > S+ 0 0 62 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 108.6 55.6 -53.6 -41.3 12.3 23.9 20.0 109 110 A G H >> S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.963 105.7 46.4 -57.6 -54.4 13.9 20.6 19.8 110 111 A K H 3X S+ 0 0 87 -4,-2.0 4,-3.1 1,-0.3 -2,-0.2 0.931 108.1 56.3 -63.7 -42.8 12.4 19.1 22.9 111 112 A Q H 3X S+ 0 0 102 -4,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.837 105.1 53.9 -52.3 -32.8 8.9 20.3 22.1 112 113 A A H < S+ 0 0 83 -4,-2.1 3,-2.7 -3,-0.5 4,-0.3 0.877 106.5 58.6 -79.9 -44.3 4.8 16.4 20.1 116 117 A A H >X S+ 0 0 2 -4,-3.4 3,-1.4 1,-0.3 4,-1.3 0.732 94.8 70.3 -48.9 -32.6 5.9 13.5 18.0 117 118 A A T 3< S+ 0 0 6 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.463 80.4 73.8 -70.2 -5.9 5.2 11.5 21.0 118 119 A A T <4 S+ 0 0 73 -3,-2.7 -1,-0.3 1,-0.1 -2,-0.2 0.597 114.8 22.2 -79.7 -14.3 1.5 12.1 20.6 119 120 A D T <4 S+ 0 0 91 -3,-1.4 2,-0.3 -4,-0.3 -2,-0.2 0.606 127.3 45.1-126.7 -13.0 1.5 9.8 17.8 120 121 A I S < S- 0 0 0 -4,-1.3 2,-0.6 -5,-0.1 -1,-0.3 -0.941 76.3-115.5-139.0 151.3 4.5 7.8 18.3 121 122 A A + 0 0 0 -2,-0.3 -23,-1.7 135,-0.2 2,-0.4 -0.795 41.0 177.7 -88.4 113.8 6.2 5.9 21.2 122 123 A I E -gh 98 260B 0 137,-2.4 139,-2.2 -2,-0.6 2,-0.7 -0.945 26.8-156.1-125.4 143.0 9.5 7.4 22.1 123 124 A V E +gh 99 261B 0 -25,-3.2 -23,-2.1 -2,-0.4 2,-0.5 -0.864 23.6 171.3-111.0 113.2 12.2 6.8 24.7 124 125 A F E +g 100 0B 49 137,-1.8 2,-0.3 -2,-0.7 -23,-0.2 -0.931 7.4 153.8-121.4 121.5 14.2 9.8 25.2 125 126 A A - 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