==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-APR-12 4EJM . COMPND 2 MOLECULE: PUTATIVE ZINC-BINDING DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR P.SAMPATHKUMAR,S.C.ALMO,NEW YORK STRUCTURAL GENOMICS RESEARC . 342 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 13.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 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 . 25 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 3 1 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 Q 0 0 218 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.2 3.7 11.1 20.2 2 -1 A S - 0 0 84 20,-0.1 20,-1.7 1,-0.0 2,-0.2 -0.654 360.0-165.6 -84.6 133.3 7.0 10.3 22.1 3 0 A X E -A 21 0A 91 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.554 13.0-171.2-117.0 172.4 9.5 13.1 22.2 4 1 A X E -A 20 0A 11 16,-1.7 16,-2.4 -2,-0.2 2,-0.3 -0.978 30.1-101.9-158.9 155.2 13.1 13.8 23.0 5 2 A K E +A 19 0A 74 -2,-0.3 116,-1.6 14,-0.2 2,-0.3 -0.625 38.6 177.4 -78.0 143.9 15.5 16.7 23.4 6 3 A A E -AB 18 120A 0 12,-2.0 12,-2.9 -2,-0.3 2,-0.8 -0.981 32.6-127.9-144.5 136.3 17.9 17.4 20.5 7 4 A V E -A 17 0A 0 112,-3.2 52,-2.0 -2,-0.3 2,-0.4 -0.804 40.6-166.5 -84.4 107.2 20.6 20.2 20.2 8 5 A R E -AC 16 58A 36 8,-2.6 8,-1.8 -2,-0.8 2,-1.1 -0.827 27.6-144.2-107.7 131.4 19.6 21.6 16.8 9 6 A L E -AC 15 57A 0 48,-3.2 48,-1.3 -2,-0.4 6,-0.2 -0.814 21.7-175.1 -86.5 98.3 21.5 24.0 14.5 10 7 A E E - 0 0 57 4,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.920 61.9 -40.3 -64.1 -47.2 18.4 25.9 13.3 11 8 A S E > S-A 14 0A 52 3,-1.1 3,-3.7 -3,-0.2 -1,-0.3 -0.944 94.7 -39.5-167.8 171.9 20.6 27.9 10.8 12 9 A V T 3 S+ 0 0 89 1,-0.3 36,-0.2 -2,-0.3 35,-0.1 -0.087 133.0 5.2 -42.8 119.0 24.0 29.7 10.7 13 10 A G T 3 S+ 0 0 45 34,-3.0 2,-0.7 33,-0.1 -1,-0.3 0.168 108.2 103.2 92.7 -17.1 24.4 31.2 14.1 14 11 A N E < +A 11 0A 85 -3,-3.7 -4,-2.0 33,-0.2 -3,-1.1 -0.869 39.2 155.4-112.7 108.6 21.2 29.8 15.6 15 12 A I E +A 9 0A 22 -2,-0.7 2,-0.3 -6,-0.2 -6,-0.2 -0.996 7.4 141.0-136.0 132.0 21.6 26.8 18.0 16 13 A S E -A 8 0A 27 -8,-1.8 -8,-2.6 -2,-0.4 2,-0.4 -0.980 51.5 -91.9-160.4 163.7 19.3 25.6 20.8 17 14 A V E +A 7 0A 46 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.711 50.4 176.5 -82.6 128.3 17.8 22.6 22.5 18 15 A R E -A 6 0A 120 -12,-2.9 -12,-2.0 -2,-0.4 2,-0.5 -0.914 33.1-113.3-132.1 161.1 14.5 21.6 21.0 19 16 A N E +A 5 0A 115 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.834 43.2 165.8 -96.0 125.0 11.9 18.8 21.3 20 17 A V E -A 4 0A 34 -16,-2.4 -16,-1.7 -2,-0.5 2,-0.1 -0.852 40.2 -88.1-134.3 166.2 11.6 16.6 18.3 21 18 A G E -A 3 0A 34 -2,-0.3 -18,-0.2 -18,-0.2 3,-0.0 -0.412 45.2-104.6 -73.8 152.1 10.0 13.3 17.6 22 19 A I - 0 0 48 -20,-1.7 -20,-0.1 -2,-0.1 -1,-0.1 -0.686 47.4-116.4 -73.9 125.3 12.0 10.2 18.2 23 20 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 -0.249 18.9-136.4 -69.0 154.8 12.9 9.1 14.7 24 21 A E - 0 0 158 100,-0.0 2,-0.2 -3,-0.0 100,-0.1 -0.938 25.7-118.9-112.2 133.4 11.7 5.8 13.3 25 22 A P - 0 0 17 0, 0.0 47,-0.2 0, 0.0 6,-0.1 -0.515 13.0-132.6 -79.9 136.9 14.2 3.6 11.5 26 23 A G > - 0 0 29 -2,-0.2 3,-1.4 45,-0.1 45,-0.1 -0.066 48.3 -83.8 -61.1 179.4 14.1 2.5 7.9 27 24 A P T 3 S+ 0 0 63 0, 0.0 46,-1.5 0, 0.0 47,-1.0 0.718 130.6 40.9 -69.9 -23.2 14.7 -1.1 7.2 28 25 A D T 3 S+ 0 0 83 45,-0.2 99,-3.3 44,-0.1 100,-0.2 0.265 100.6 96.6-104.1 8.7 18.5 -0.8 7.2 29 26 A D E < -D 126 0B 27 -3,-1.4 42,-2.4 97,-0.3 2,-0.4 -0.646 57.7-148.1 -97.3 156.0 18.7 1.6 10.2 30 27 A L E -DE 125 70B 0 95,-2.0 95,-2.7 -2,-0.2 2,-0.5 -0.927 13.0-141.1-110.5 142.8 19.4 1.2 13.9 31 28 A L E -DE 124 69B 7 38,-3.2 37,-3.3 -2,-0.4 38,-1.4 -0.951 26.3-165.6-102.2 125.8 17.8 3.5 16.5 32 29 A V E -DE 123 67B 0 91,-2.8 91,-2.1 -2,-0.5 2,-0.7 -0.940 22.0-140.0-122.9 127.6 20.4 4.1 19.2 33 30 A K E -DE 122 66B 79 33,-2.9 33,-2.2 -2,-0.5 89,-0.3 -0.817 37.4-123.0 -84.7 117.7 19.9 5.6 22.6 34 31 A V E + E 0 65B 9 87,-1.5 31,-0.3 -2,-0.7 3,-0.1 -0.446 33.1 177.8 -73.4 128.5 23.0 7.9 23.0 35 32 A E E S- 0 0 35 29,-2.6 2,-0.3 1,-0.4 30,-0.2 0.771 74.7 -6.7 -93.8 -37.7 25.3 7.2 26.0 36 33 A A E - E 0 64B 0 28,-1.4 28,-1.8 305,-0.1 -1,-0.4 -0.974 53.5-171.1-156.1 144.9 27.7 10.0 24.9 37 34 A C E -FE 340 63B 0 303,-2.2 303,-3.4 -2,-0.3 26,-0.2 -0.987 23.3-136.9-133.0 131.0 28.4 12.4 22.1 38 35 A G E -F 339 0B 1 24,-2.6 2,-0.5 -2,-0.4 23,-0.5 -0.529 11.7-127.9 -84.2 147.7 31.6 14.4 21.9 39 36 A I E -F 338 0B 10 299,-2.8 299,-0.5 -2,-0.2 2,-0.3 -0.836 28.1-163.7 -91.5 132.3 31.8 18.1 21.0 40 37 A C >> - 0 0 26 -2,-0.5 3,-1.5 297,-0.1 4,-0.7 -0.807 33.6-118.1-111.5 152.6 34.3 18.8 18.2 41 38 A G H 3> S+ 0 0 41 -2,-0.3 4,-1.6 1,-0.3 3,-0.2 0.757 116.2 67.5 -56.6 -25.3 35.9 22.1 17.1 42 39 A T H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.816 90.3 62.3 -61.1 -31.9 34.2 21.4 13.8 43 40 A D H <> S+ 0 0 0 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.884 102.1 49.3 -65.9 -36.1 30.9 21.9 15.7 44 41 A R H X S+ 0 0 38 -4,-0.7 4,-1.7 -3,-0.2 -1,-0.2 0.905 111.7 49.3 -64.5 -43.9 31.8 25.5 16.4 45 42 A H H <>S+ 0 0 76 -4,-1.6 5,-2.2 2,-0.2 6,-1.1 0.834 108.2 53.5 -60.8 -38.2 32.7 26.0 12.7 46 43 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.5 4,-0.2 -2,-0.2 0.930 106.1 53.7 -65.6 -44.0 29.4 24.5 11.6 47 44 A L H 3<5S+ 0 0 3 -4,-1.8 -34,-3.0 1,-0.3 -2,-0.2 0.878 111.9 43.8 -54.1 -45.4 27.5 26.9 13.9 48 45 A H T 3<5S- 0 0 94 -4,-1.7 -1,-0.3 -36,-0.2 -2,-0.2 0.154 115.4-112.5 -92.7 20.7 29.2 30.0 12.2 49 46 A G T < 5S+ 0 0 36 -3,-1.5 -3,-0.2 2,-0.1 -2,-0.1 0.604 80.2 127.3 61.3 16.3 28.8 28.6 8.7 50 47 A E S - 0 0 7 -42,-2.4 3,-1.8 -2,-0.4 -45,-0.1 -0.403 35.1-103.2 -68.2 158.1 14.9 -1.9 11.0 72 69 A S T 3 S+ 0 0 119 1,-0.3 -44,-0.1 -47,-0.2 -1,-0.1 0.722 120.3 52.3 -59.6 -27.9 13.3 -4.9 9.3 73 70 A A T 3 S+ 0 0 56 -46,-1.5 2,-0.6 -44,-0.1 -1,-0.3 0.614 89.6 92.5 -83.4 -14.3 16.3 -5.5 6.9 74 71 A V < + 0 0 18 -3,-1.8 -4,-0.1 -47,-1.0 -45,-0.0 -0.740 40.1 153.6 -85.1 121.9 18.8 -5.5 9.8 75 72 A R + 0 0 102 -2,-0.6 -1,-0.1 3,-0.1 3,-0.1 0.530 59.6 57.8-125.1 -11.1 19.5 -9.0 11.1 76 73 A D S S+ 0 0 105 1,-0.2 2,-0.4 2,-0.0 -2,-0.1 0.478 100.8 51.4-106.9 -3.4 23.0 -9.2 12.7 77 74 A I S S- 0 0 8 4,-0.0 -1,-0.2 55,-0.0 3,-0.1 -0.968 71.8-169.5-132.1 121.5 22.8 -6.5 15.4 78 75 A A > - 0 0 63 -2,-0.4 3,-2.2 1,-0.1 -11,-0.2 -0.709 36.2 -74.9-107.4 157.6 19.9 -6.6 17.8 79 76 A P T 3 S+ 0 0 76 0, 0.0 -11,-0.2 0, 0.0 -1,-0.1 -0.141 117.4 43.0 -35.1 136.6 18.5 -4.3 20.5 80 77 A G T 3 S+ 0 0 39 -13,-2.6 -12,-0.1 1,-0.4 2,-0.0 -0.035 85.6 120.0 101.4 -26.3 20.8 -4.3 23.6 81 78 A A < - 0 0 10 -3,-2.2 -14,-3.0 -15,-0.1 2,-0.5 -0.344 60.1-132.6 -70.2 146.5 24.0 -4.2 21.5 82 79 A R E +GH 66 133B 16 51,-0.6 51,-2.4 -16,-0.2 2,-0.3 -0.884 31.3 176.9 -96.3 136.8 26.3 -1.2 22.1 83 80 A I E -GH 65 132B 0 -18,-2.6 -18,-2.4 -2,-0.5 2,-0.4 -0.930 26.0-146.8-134.1 157.2 27.6 0.5 19.0 84 81 A T E -GH 64 131B 1 47,-2.1 47,-2.5 -2,-0.3 2,-0.4 -0.926 30.3-128.3-113.2 147.3 29.8 3.5 18.0 85 82 A G E - H 0 130B 0 -22,-1.8 -22,-0.4 -2,-0.4 45,-0.2 -0.828 6.6-146.3-105.1 134.7 28.8 5.3 14.8 86 83 A D - 0 0 22 43,-2.8 25,-0.1 -2,-0.4 -24,-0.1 -0.885 17.9-161.8 -83.9 114.4 31.0 6.2 11.8 87 84 A P + 0 0 1 0, 0.0 24,-2.4 0, 0.0 2,-0.7 0.694 61.3 93.4 -74.4 -14.2 29.3 9.5 10.8 88 85 A N E -J 110 0C 23 22,-0.2 2,-0.6 -27,-0.1 22,-0.2 -0.688 57.0-167.6 -93.1 107.9 30.7 9.5 7.2 89 86 A I E -J 109 0C 36 20,-3.4 20,-2.3 -2,-0.7 2,-0.3 -0.874 4.2-163.7 -96.5 118.7 28.3 8.0 4.7 90 87 A S - 0 0 44 -2,-0.6 18,-0.1 18,-0.2 13,-0.1 -0.711 18.9-133.8-101.3 155.3 29.9 7.4 1.3 91 88 A C - 0 0 39 -2,-0.3 -1,-0.1 11,-0.1 11,-0.0 0.747 18.9-145.1 -84.8 -24.6 27.8 6.7 -1.8 92 89 A G S S+ 0 0 52 10,-0.1 -1,-0.1 1,-0.1 10,-0.0 0.555 82.7 73.9 73.6 7.1 29.6 3.6 -3.3 93 90 A R + 0 0 171 4,-0.0 -1,-0.1 5,-0.0 -3,-0.0 0.518 69.7 88.1-132.9 -6.9 28.9 4.8 -6.8 94 91 A C S > S- 0 0 1 1,-0.1 4,-2.3 0, 0.0 5,-0.2 -0.418 89.3-102.4 -88.3 168.7 31.1 7.7 -7.6 95 92 A P H > S+ 0 0 73 0, 0.0 4,-1.3 0, 0.0 6,-0.2 0.886 121.0 52.1 -67.0 -34.4 34.6 7.2 -9.0 96 93 A Q H 4>S+ 0 0 78 2,-0.2 5,-2.5 8,-0.2 3,-0.4 0.952 111.9 47.9 -59.5 -47.2 36.4 7.8 -5.7 97 94 A C H >45S+ 0 0 12 1,-0.2 3,-1.5 3,-0.2 5,-0.2 0.903 110.4 50.3 -60.9 -42.0 34.2 5.2 -4.0 98 95 A Q H 3<5S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.701 108.4 53.9 -74.0 -18.2 34.8 2.7 -6.8 99 96 A A T 3<5S- 0 0 73 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.370 121.5-108.9 -89.9 0.9 38.5 3.2 -6.4 100 97 A G T < 5S+ 0 0 32 -3,-1.5 2,-1.3 -4,-0.2 3,-0.2 0.523 85.8 123.4 84.5 4.4 38.3 2.5 -2.7 101 98 A R > < + 0 0 133 -5,-2.5 3,-1.9 -6,-0.2 -1,-0.1 -0.498 27.2 159.3 -95.7 65.4 38.9 6.1 -1.7 102 99 A V G > + 0 0 29 -2,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.766 66.5 62.3 -66.9 -27.0 35.6 6.3 0.3 103 100 A N G 3 S+ 0 0 11 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.681 102.5 52.9 -67.2 -18.3 36.8 9.3 2.3 104 101 A L G < S+ 0 0 67 -3,-1.9 -1,-0.2 -8,-0.1 -2,-0.2 0.197 76.8 147.4-101.9 11.4 37.0 11.2 -1.0 105 102 A C X - 0 0 10 -3,-1.3 3,-0.9 -9,-0.2 -3,-0.1 -0.221 45.1-146.1 -42.9 129.5 33.4 10.4 -2.0 106 103 A R T 3 S+ 0 0 177 1,-0.2 -1,-0.2 0, 0.0 -16,-0.0 0.577 99.7 48.5 -80.8 -7.2 32.0 13.3 -4.0 107 104 A N T 3 S+ 0 0 40 2,-0.1 -1,-0.2 -18,-0.0 -2,-0.1 -0.086 82.9 159.5-114.2 29.9 28.5 12.7 -2.5 108 105 A L < - 0 0 35 -3,-0.9 2,-0.4 -18,-0.1 -18,-0.2 -0.296 18.3-171.9 -61.3 130.3 29.7 12.4 1.1 109 106 A R E -J 89 0C 122 -20,-2.3 -20,-3.4 -2,-0.0 2,-0.5 -0.996 7.1-154.5-122.4 134.7 27.0 12.9 3.8 110 107 A A E >>> -J 88 0C 5 -2,-0.4 4,-2.6 -22,-0.2 3,-1.9 -0.894 19.2-123.6-110.0 129.1 27.9 13.2 7.5 111 108 A I B 345S+k 115 0D 0 -24,-2.4 5,-0.2 -2,-0.5 6,-0.2 -0.521 106.3 30.1 -58.1 131.9 25.7 12.3 10.5 112 109 A G T 345S+ 0 0 0 3,-3.2 -52,-0.5 -54,-0.3 -1,-0.3 0.443 126.5 47.4 87.4 2.3 25.6 15.5 12.5 113 110 A I T <45S+ 0 0 26 -3,-1.9 -59,-1.8 2,-0.5 -2,-0.2 0.547 129.5 9.2-133.3 -57.4 26.1 17.7 9.4 114 111 A H T <5S+ 0 0 64 -4,-2.6 2,-0.3 -61,-0.2 -3,-0.2 0.369 134.4 39.0-106.4 -6.4 23.7 16.7 6.6 115 112 A R B -D 29 0B 21 0, 0.0 3,-2.3 0, 0.0 -97,-0.3 -0.287 30.7-114.6 -55.7 142.1 22.4 3.1 9.1 127 124 A R G > S+ 0 0 72 -99,-3.3 3,-2.2 1,-0.3 -98,-0.1 0.856 114.0 57.4 -50.6 -44.2 23.7 -0.5 9.7 128 125 A K G 3 S+ 0 0 164 1,-0.3 -1,-0.3 -100,-0.2 -99,-0.1 0.672 106.0 52.7 -62.2 -18.0 26.8 -0.1 7.6 129 126 A Q G < S+ 0 0 19 -3,-2.3 -43,-2.8 -42,-0.1 2,-0.5 0.305 92.3 94.4 -96.3 5.2 27.9 2.9 9.8 130 127 A A E < -H 85 0B 3 -3,-2.2 2,-0.5 -45,-0.2 -45,-0.2 -0.860 51.9-170.1-110.5 129.5 27.5 0.9 13.1 131 128 A F E -H 84 0B 42 -47,-2.5 -47,-2.1 -2,-0.5 2,-0.1 -0.962 20.8-132.2-123.6 117.5 30.3 -0.8 14.8 132 129 A E E +H 83 0B 92 -2,-0.5 -49,-0.3 -49,-0.2 -51,-0.0 -0.391 27.3 179.0 -69.1 136.4 29.6 -3.1 17.7 133 130 A I E -H 82 0B 5 -51,-2.4 -51,-0.6 -2,-0.1 168,-0.1 -0.949 37.0 -74.6-134.8 158.0 31.7 -2.7 20.9 134 131 A P > - 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