==== 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 03-SEP-04 1VM6 . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 865 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 670 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 12.0 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 . 8 0.9 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 . 50 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.5 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 3 1 0 0 2 6 4 4 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 7 8 8 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 0 0 4 0 0 8 0 2 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 0 0 0 4 2 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 0 A H 0 0 165 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 127.8 26.5 41.9 31.8 2 1 A M - 0 0 9 19,-0.1 25,-3.1 23,-0.0 2,-0.5 -0.865 360.0-136.9-127.9 149.2 23.2 41.6 29.9 3 2 A K E +a 27 0A 59 -2,-0.3 41,-3.1 23,-0.2 42,-1.2 -0.919 41.2 174.3 -97.1 134.4 19.6 42.4 30.3 4 3 A Y E -ab 28 45A 3 23,-2.7 25,-2.9 -2,-0.5 26,-0.8 -0.940 26.0-143.9-142.1 160.3 17.5 39.5 29.0 5 4 A G E -ab 30 46A 0 40,-2.0 42,-2.2 -2,-0.3 2,-0.4 -0.815 10.9-148.7-116.2 159.3 14.0 38.1 28.7 6 5 A I E > -ab 31 47A 0 24,-2.0 26,-2.4 -2,-0.3 3,-0.6 -0.984 3.4-160.8-130.2 122.0 12.7 34.6 28.9 7 6 A V E 3 S+ab 32 48A 1 40,-2.7 42,-2.0 -2,-0.4 26,-0.2 -0.915 94.0 26.5 -91.7 123.5 9.7 33.2 27.0 8 7 A G T > S+ 0 0 6 24,-3.2 3,-1.3 -2,-0.6 6,-0.6 0.721 78.3 156.8 91.9 30.0 8.7 30.1 29.0 9 8 A Y T < + 0 0 60 23,-1.6 9,-0.2 -3,-0.6 24,-0.1 0.778 69.9 49.6 -62.7 -30.0 10.2 31.5 32.2 10 9 A S T 3 S+ 0 0 56 22,-0.3 -1,-0.3 4,-0.1 23,-0.1 0.612 96.7 89.1 -84.2 -16.4 8.0 29.3 34.4 11 10 A G S <> S- 0 0 33 -3,-1.3 4,-2.2 38,-0.2 5,-0.2 -0.063 95.4 -90.4 -77.3 180.0 8.8 26.0 32.7 12 11 A R H > S+ 0 0 112 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.948 128.7 38.6 -55.7 -53.8 11.5 23.4 33.2 13 12 A M H > S+ 0 0 27 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 112.3 59.2 -65.8 -40.2 13.9 25.1 30.8 14 13 A G H > S+ 0 0 0 -6,-0.6 4,-1.8 35,-0.3 -1,-0.2 0.851 106.4 46.5 -56.1 -42.0 12.9 28.6 31.9 15 14 A Q H X S+ 0 0 109 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.818 111.0 52.2 -73.6 -32.0 13.9 28.0 35.5 16 15 A E H X S+ 0 0 37 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.862 108.5 51.9 -65.8 -40.4 17.2 26.5 34.4 17 16 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.925 107.0 52.1 -65.1 -43.0 17.9 29.5 32.3 18 17 A Q H X S+ 0 0 58 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.875 110.9 48.3 -58.2 -41.4 17.2 31.9 35.2 19 18 A K H X S+ 0 0 98 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.950 115.6 42.3 -65.5 -49.7 19.7 30.0 37.4 20 19 A V H X S+ 0 0 9 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.895 118.3 44.7 -66.9 -43.2 22.5 29.9 34.8 21 20 A F H ><>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 3,-0.5 0.900 112.8 49.8 -70.6 -43.0 22.1 33.5 33.7 22 21 A S H ><5S+ 0 0 73 -4,-2.2 3,-1.5 -5,-0.3 -2,-0.2 0.859 105.0 59.2 -65.5 -34.3 21.7 35.0 37.2 23 22 A E H 3<5S+ 0 0 159 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 105.3 49.3 -62.1 -30.3 24.9 33.1 38.3 24 23 A K T <<5S- 0 0 133 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.349 125.8-105.1 -89.0 5.8 26.8 35.0 35.5 25 24 A G T < 5 + 0 0 43 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.741 69.1 148.4 79.5 25.2 25.3 38.3 36.7 26 25 A H < - 0 0 16 -5,-2.5 2,-0.5 -25,-0.2 -1,-0.3 -0.658 42.4-125.7 -90.4 154.7 22.7 38.8 34.0 27 26 A E E -a 3 0A 88 -25,-3.1 -23,-2.7 -2,-0.2 2,-0.6 -0.868 6.5-139.6-111.6 122.7 19.5 40.6 34.7 28 27 A L E +a 4 0A 36 -2,-0.5 -23,-0.2 -25,-0.2 3,-0.1 -0.696 33.2 159.2 -82.5 115.7 16.0 39.3 34.0 29 28 A V E + 0 0 1 -25,-2.9 11,-3.1 -2,-0.6 12,-1.7 0.328 59.4 43.5-119.1 2.5 13.9 42.2 32.6 30 29 A L E -aC 5 39A 0 -26,-0.8 -24,-2.0 9,-0.2 2,-0.4 -0.945 57.6-172.3-156.5 125.5 11.1 40.4 30.8 31 30 A K E +aC 6 38A 57 7,-2.3 7,-2.4 -2,-0.3 2,-0.4 -0.987 8.0 174.9-126.8 125.9 9.0 37.3 31.7 32 31 A V E +aC 7 37A 7 -26,-2.4 -24,-3.2 -2,-0.4 -23,-1.6 -0.997 13.0 139.6-130.2 133.7 6.6 35.6 29.4 33 32 A D E > - C 0 36A 25 3,-2.1 3,-1.2 -2,-0.4 17,-0.0 -0.857 68.4 -72.4-150.8-171.5 4.6 32.4 29.9 34 33 A V T 3 S+ 0 0 137 -2,-0.3 3,-0.1 1,-0.2 16,-0.0 0.728 127.0 54.9 -63.7 -20.2 1.0 31.1 29.1 35 34 A N T 3 S- 0 0 140 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.584 119.1 -64.4 -93.6 -12.0 -0.5 33.4 31.9 36 35 A G E < -C 33 0A 35 -3,-1.2 -3,-2.1 2,-0.0 2,-0.4 -0.954 46.6 -75.9 160.5-172.3 1.0 36.7 30.6 37 36 A V E -C 32 0A 67 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.943 26.3-167.9-120.1 140.0 3.8 39.1 29.8 38 37 A E E -C 31 0A 86 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.7 -0.925 4.4-171.0-132.4 105.6 5.8 41.1 32.3 39 38 A E E +C 30 0A 84 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.876 18.4 158.2-103.1 112.1 8.0 43.9 30.9 40 39 A L - 0 0 98 -11,-3.1 2,-0.3 -2,-0.7 -10,-0.2 0.770 68.0 -19.0-101.9 -35.6 10.3 45.4 33.5 41 40 A D S S- 0 0 69 -12,-1.7 -1,-0.4 -37,-0.1 -12,-0.1 -0.913 85.4 -69.7-161.4 175.8 13.0 46.9 31.3 42 41 A S - 0 0 53 -2,-0.3 2,-0.2 -3,-0.1 -39,-0.1 -0.712 48.4-142.1 -86.4 119.4 14.4 46.6 27.8 43 42 A P - 0 0 2 0, 0.0 -39,-0.3 0, 0.0 3,-0.1 -0.512 11.2-153.3 -78.9 147.3 16.2 43.2 27.1 44 43 A D S S+ 0 0 77 -41,-3.1 24,-1.8 1,-0.3 2,-0.3 0.754 86.3 14.1 -81.0 -32.7 19.3 42.9 25.0 45 44 A V E -bd 4 68A 2 -42,-1.2 -40,-2.0 22,-0.3 2,-0.4 -0.994 68.4-145.3-143.8 146.6 18.5 39.3 24.2 46 45 A V E -bd 5 69A 0 22,-2.7 24,-3.0 -2,-0.3 2,-0.5 -0.942 8.0-155.9-115.1 139.7 15.4 37.1 24.6 47 46 A I E -bd 6 70A 0 -42,-2.2 -40,-2.7 -2,-0.4 2,-0.6 -0.970 11.3-167.9-114.7 121.0 15.6 33.4 25.4 48 47 A D E +bd 7 71A 0 22,-2.9 24,-2.8 -2,-0.5 25,-1.4 -0.909 27.6 147.6-121.8 105.6 12.6 31.3 24.3 49 48 A F + 0 0 31 -42,-2.0 -35,-0.3 -2,-0.6 -38,-0.2 -0.823 50.5 93.0-125.1 88.2 12.0 27.6 25.4 50 49 A S S S- 0 0 49 -2,-0.3 24,-0.2 -37,-0.1 -42,-0.1 0.277 82.2 -47.5-138.6 -98.6 8.2 27.5 25.5 51 50 A S >> - 0 0 45 22,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.974 43.8-111.3-154.4 147.8 5.8 26.3 22.8 52 51 A P G >4 S+ 0 0 18 0, 0.0 3,-1.2 0, 0.0 25,-0.1 0.837 116.3 62.9 -54.7 -31.1 5.5 27.1 19.0 53 52 A E G 34 S+ 0 0 132 1,-0.3 4,-0.3 2,-0.1 0, 0.0 0.671 98.1 57.0 -67.5 -19.8 2.2 29.0 19.8 54 53 A A G X> S+ 0 0 25 -3,-1.7 4,-2.0 1,-0.2 3,-0.7 0.632 82.9 88.2 -81.1 -17.9 4.3 31.5 21.9 55 54 A L H S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.905 110.4 43.0 -51.2 -44.2 4.4 35.2 17.6 57 56 A K H <> S+ 0 0 63 -3,-0.7 4,-2.6 -4,-0.3 -2,-0.2 0.910 112.1 54.2 -68.6 -43.3 4.7 37.1 20.9 58 57 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.917 110.0 47.0 -53.9 -50.3 8.4 36.3 21.1 59 58 A V H X S+ 0 0 7 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.912 111.2 50.8 -58.1 -48.7 9.0 37.8 17.7 60 59 A D H X S+ 0 0 96 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.888 111.0 48.8 -58.8 -43.4 6.9 40.9 18.4 61 60 A L H X S+ 0 0 10 -4,-2.6 4,-2.3 2,-0.2 6,-0.2 0.930 110.1 50.4 -64.0 -45.3 8.9 41.5 21.6 62 61 A C H X>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.2 4,-0.5 0.890 112.7 47.6 -61.3 -40.0 12.3 41.1 19.9 63 62 A K H ><5S+ 0 0 90 -4,-2.3 3,-0.6 3,-0.2 -1,-0.2 0.906 110.4 52.6 -63.9 -45.0 11.2 43.6 17.2 64 63 A K H 3<5S+ 0 0 131 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 123.2 27.6 -55.7 -45.7 9.9 46.0 19.9 65 64 A Y H 3<5S- 0 0 52 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.307 102.0-124.3-100.6 6.7 13.2 46.0 21.8 66 65 A R T <<5 + 0 0 187 -3,-0.6 2,-0.4 -4,-0.5 -3,-0.2 0.902 57.2 162.4 38.5 51.8 15.5 45.2 18.9 67 66 A A < - 0 0 0 -5,-1.9 -22,-0.3 -6,-0.2 -1,-0.2 -0.778 40.8-118.1 -99.7 139.3 16.6 42.2 21.0 68 67 A G E -d 45 0A 5 -24,-1.8 -22,-2.7 -2,-0.4 2,-0.4 -0.190 30.7-132.3 -61.2 163.0 18.5 39.1 19.7 69 68 A L E -de 46 93A 0 23,-1.9 25,-2.8 -24,-0.2 2,-0.6 -0.987 19.3-169.1-130.1 129.5 16.7 35.8 20.1 70 69 A V E -de 47 94A 0 -24,-3.0 -22,-2.9 -2,-0.4 2,-0.5 -0.968 23.7-169.7-106.6 111.0 18.0 32.4 21.3 71 70 A L E +de 48 95A 0 23,-2.6 25,-2.2 -2,-0.6 -22,-0.2 -0.919 27.3 157.6-114.9 120.1 15.2 29.9 20.4 72 71 A G + 0 0 7 -24,-2.8 -23,-0.2 -2,-0.5 -1,-0.1 0.507 33.5 126.0-111.4 -12.7 15.1 26.4 21.7 73 72 A T - 0 0 9 -25,-1.4 3,-0.2 -22,-0.1 2,-0.2 -0.196 47.2-151.3 -47.8 134.7 11.4 25.6 21.3 74 73 A T + 0 0 25 -24,-0.2 -1,-0.1 1,-0.2 -24,-0.1 -0.498 66.4 53.5-103.1 178.7 10.9 22.4 19.2 75 74 A A S S+ 0 0 48 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.804 70.5 169.9 64.7 31.9 8.1 21.3 16.9 76 75 A L - 0 0 17 -3,-0.2 -1,-0.2 4,-0.1 2,-0.2 -0.470 19.8-147.8 -71.0 144.9 8.3 24.5 14.8 77 76 A K >> - 0 0 114 -2,-0.1 4,-2.0 -25,-0.1 3,-1.0 -0.599 33.7 -90.5-109.4 172.6 6.3 24.5 11.6 78 77 A E H 3> S+ 0 0 119 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.891 127.2 55.0 -51.4 -44.5 7.0 26.2 8.2 79 78 A E H 3> S+ 0 0 103 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.830 106.8 49.7 -54.1 -39.9 5.0 29.3 9.5 80 79 A H H <> S+ 0 0 14 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.899 109.4 51.0 -70.2 -39.7 7.2 29.6 12.6 81 80 A L H X S+ 0 0 68 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.876 108.5 53.6 -64.1 -38.6 10.4 29.4 10.5 82 81 A Q H X S+ 0 0 111 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.918 108.6 47.5 -63.1 -44.8 9.0 32.2 8.2 83 82 A M H X S+ 0 0 47 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.880 111.8 52.2 -62.0 -37.8 8.3 34.5 11.2 84 83 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.878 107.5 50.4 -68.3 -40.5 11.8 33.7 12.4 85 84 A R H < S+ 0 0 157 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.909 110.2 51.0 -60.2 -44.8 13.4 34.6 9.1 86 85 A E H >< S+ 0 0 105 -4,-2.0 3,-1.1 1,-0.2 4,-0.4 0.919 110.9 48.3 -61.3 -44.0 11.5 37.9 9.0 87 86 A L H >X S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 4,-1.7 0.908 102.8 62.7 -60.4 -41.4 12.7 38.7 12.5 88 87 A S T 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 117,-0.2 0.545 89.2 68.3 -70.3 -7.1 16.3 37.8 11.6 89 88 A K T <4 S+ 0 0 142 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.710 113.0 32.2 -75.2 -21.4 16.4 40.6 9.0 90 89 A E T <4 S+ 0 0 87 -3,-2.3 -2,-0.2 -4,-0.4 -1,-0.1 0.751 128.2 17.9-103.7 -37.2 16.2 43.0 12.1 91 90 A V S < S- 0 0 2 -4,-1.7 114,-1.3 112,-0.1 2,-0.3 -0.880 83.2 -92.4-134.5 162.3 18.1 41.1 14.8 92 91 A P E - 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