==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN, DNA 19-NOV-07 2JXI . COMPND 2 MOLECULE: PROLINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR S.HALOUSKA,Y.ZHOU,D.BECKER,R.POWERS . 90 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 82.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 8.9 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 . 0 0.0 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 . 9 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 116 0, 0.0 2,-0.8 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 117.3 4.5 -3.4 -14.7 2 2 A A + 0 0 65 2,-0.0 2,-0.8 53,-0.0 56,-0.4 -0.604 360.0 179.1-106.2 69.0 2.4 -0.3 -14.1 3 3 A T - 0 0 34 -2,-0.8 54,-0.3 54,-0.2 2,-0.3 -0.627 7.4-169.4 -76.8 108.2 2.9 0.1 -10.4 4 4 A T E -A 56 0A 87 52,-2.6 52,-2.6 -2,-0.8 2,-0.7 -0.683 33.6 -95.2 -98.5 152.4 1.1 3.2 -9.3 5 5 A T E +A 55 0A 84 -2,-0.3 50,-0.3 50,-0.3 2,-0.2 -0.546 54.9 174.3 -70.4 111.1 1.4 4.8 -5.8 6 6 A L E -A 54 0A 52 48,-3.5 2,-1.2 -2,-0.7 48,-0.7 -0.616 41.4 -95.8-113.0 172.1 -1.5 3.4 -3.8 7 7 A G E +A 53 0A 53 -2,-0.2 2,-0.4 46,-0.2 46,-0.2 -0.685 52.9 165.8 -93.4 86.9 -2.5 3.8 -0.1 8 8 A V E -A 52 0A 9 44,-1.7 44,-3.4 -2,-1.2 2,-0.6 -0.859 31.5-133.7-105.1 132.3 -1.0 0.7 1.5 9 9 A K E +A 51 0A 61 -2,-0.4 2,-0.3 42,-0.2 42,-0.2 -0.762 30.3 173.0 -90.0 120.7 -0.7 0.5 5.3 10 10 A L E -A 50 0A 6 40,-2.7 40,-2.4 -2,-0.6 2,-0.2 -0.957 26.8-125.0-127.9 145.0 2.7 -0.8 6.6 11 11 A D > - 0 0 21 -2,-0.3 4,-2.2 38,-0.3 38,-0.2 -0.488 26.4-114.0 -84.8 158.0 4.0 -1.0 10.2 12 12 A D H > S+ 0 0 107 36,-0.2 4,-1.6 2,-0.2 3,-0.3 0.960 115.8 39.1 -56.6 -58.5 7.3 0.6 11.2 13 13 A P H > S+ 0 0 75 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.830 113.6 57.6 -63.2 -31.4 9.3 -2.6 11.9 14 14 A T H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.899 104.0 52.2 -64.7 -39.8 7.7 -4.2 8.9 15 15 A R H X S+ 0 0 82 -4,-2.2 4,-1.6 -3,-0.3 -1,-0.2 0.886 109.8 48.7 -62.9 -40.4 9.1 -1.4 6.8 16 16 A E H X S+ 0 0 141 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.897 109.4 51.5 -68.4 -40.0 12.6 -2.1 8.2 17 17 A R H X S+ 0 0 113 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.863 105.7 56.9 -63.3 -35.6 12.3 -5.8 7.5 18 18 A L H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.911 108.8 45.6 -60.3 -43.2 11.3 -5.0 4.0 19 19 A K H X S+ 0 0 116 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.885 112.6 50.9 -67.2 -39.8 14.5 -3.0 3.6 20 20 A A H X S+ 0 0 55 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.885 108.3 51.7 -64.8 -40.1 16.5 -5.9 5.2 21 21 A A H X S+ 0 0 25 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.863 103.7 59.5 -63.9 -35.9 14.9 -8.4 2.8 22 22 A A H <>S+ 0 0 0 -4,-1.6 5,-3.0 1,-0.2 4,-0.4 0.875 102.4 52.0 -59.5 -40.0 16.0 -6.2 -0.1 23 23 A Q H <5S+ 0 0 125 -4,-1.3 3,-0.5 1,-0.2 -1,-0.2 0.846 107.3 53.2 -66.1 -34.9 19.6 -6.5 1.0 24 24 A S H <5S+ 0 0 113 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.4 41.8 -70.0 -32.1 19.2 -10.3 1.0 25 25 A I T <5S- 0 0 77 -4,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.396 113.2-118.7 -95.3 2.0 17.8 -10.3 -2.6 26 26 A D T 5S+ 0 0 141 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.927 70.8 129.2 60.0 47.4 20.4 -7.7 -3.7 27 27 A R < - 0 0 132 -5,-3.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.934 65.5 -99.0-130.7 154.9 17.7 -5.2 -4.6 28 28 A T >> - 0 0 82 -2,-0.3 4,-2.5 1,-0.1 3,-0.8 -0.501 31.6-124.1 -72.1 138.9 17.1 -1.6 -3.9 29 29 A P H 3> S+ 0 0 33 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.828 111.4 58.4 -51.5 -35.4 14.5 -1.0 -1.1 30 30 A H H 3> S+ 0 0 124 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.889 111.2 40.2 -63.2 -41.4 12.4 1.2 -3.5 31 31 A W H X> S+ 0 0 135 -3,-0.8 4,-1.6 1,-0.2 3,-0.5 0.862 109.7 60.1 -74.9 -37.3 12.1 -1.7 -5.9 32 32 A L H 3X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.755 91.4 69.4 -64.5 -25.3 11.6 -4.3 -3.1 33 33 A I H 3X S+ 0 0 26 -4,-1.3 4,-0.9 1,-0.2 -1,-0.2 0.937 111.1 30.8 -59.9 -46.8 8.5 -2.5 -1.9 34 34 A K H - 0 0 23 -2,-0.3 4,-1.3 -54,-0.3 -54,-0.2 -0.479 24.3-117.6 -86.1 160.1 -0.2 -2.7 -10.3 58 57 B D H >> S+ 0 0 119 -56,-0.4 4,-1.4 2,-0.2 3,-0.5 0.963 113.1 39.7 -62.8 -56.3 -3.8 -2.6 -11.6 59 58 B P H 3> S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.815 113.3 57.5 -65.0 -28.7 -4.4 -6.4 -12.2 60 59 B T H 3> S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.826 100.9 58.7 -69.5 -31.1 -2.4 -7.1 -9.0 61 60 B R H S+ 0 0 0 -4,-1.5 5,-2.8 1,-0.2 4,-0.4 0.877 103.8 50.1 -59.8 -40.1 -9.3 -11.5 0.5 69 68 B Q H ><5S+ 0 0 135 -4,-1.2 3,-0.7 3,-0.2 -1,-0.2 0.882 108.1 53.6 -66.0 -39.9 -12.6 -13.2 -0.3 70 69 B S H 3<5S+ 0 0 111 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 113.4 41.5 -62.4 -39.6 -10.8 -16.6 -0.3 71 70 B I T 3<5S- 0 0 94 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.412 114.2-118.0 -89.5 1.5 -9.5 -16.0 3.2 72 71 B D T < 5S+ 0 0 132 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.961 71.7 124.8 60.0 52.9 -12.8 -14.5 4.4 73 72 B R < - 0 0 126 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.978 67.5 -96.2-139.7 153.4 -11.3 -11.1 5.2 74 73 B T >> - 0 0 81 -2,-0.3 4,-2.7 1,-0.1 3,-0.7 -0.458 33.9-122.1 -70.0 139.8 -12.0 -7.5 4.1 75 74 B P H 3> S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.863 112.3 54.0 -48.1 -44.2 -9.9 -6.2 1.3 76 75 B H H 3> S+ 0 0 113 1,-0.2 4,-0.8 2,-0.2 -67,-0.2 0.877 112.9 42.9 -60.6 -40.2 -8.6 -3.3 3.4 77 76 B W H <> S+ 0 0 133 -3,-0.7 4,-2.1 1,-0.2 3,-0.4 0.882 109.2 58.3 -72.3 -40.2 -7.5 -5.7 6.1 78 77 B L H X S+ 0 0 7 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.811 96.5 63.0 -60.5 -32.6 -6.0 -8.1 3.5 79 78 B I H X S+ 0 0 20 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.935 109.4 39.8 -59.0 -45.8 -3.7 -5.4 2.2 80 79 B K H X S+ 0 0 20 -4,-0.8 4,-1.9 -3,-0.4 -2,-0.2 0.879 116.9 50.7 -69.5 -39.9 -2.0 -5.3 5.6 81 80 B Q H X S+ 0 0 55 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.867 103.4 59.4 -67.1 -38.2 -2.1 -9.1 6.0 82 81 B A H X S+ 0 0 0 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.933 111.9 38.0 -58.3 -49.7 -0.6 -9.8 2.6 83 82 B I H X S+ 0 0 10 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.892 119.2 48.7 -70.2 -39.4 2.6 -7.9 3.3 84 83 B F H X S+ 0 0 78 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.910 111.9 48.4 -66.8 -42.0 2.7 -9.1 7.0 85 84 B N H X S+ 0 0 32 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.768 101.9 65.7 -69.5 -26.6 2.1 -12.7 6.0 86 85 B Y H X S+ 0 0 17 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.2 0.938 106.1 41.4 -59.2 -47.0 4.8 -12.4 3.3 87 86 B L H X S+ 0 0 14 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.780 113.6 55.6 -70.1 -28.6 7.4 -12.0 6.1 88 87 B E H < S+ 0 0 111 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.867 103.0 54.6 -70.4 -40.5 5.6 -14.7 8.0 89 88 B K H < S+ 0 0 113 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.852 121.7 27.6 -62.5 -39.2 5.9 -17.3 5.2 90 89 B L H < 0 0 73 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.783 360.0 360.0 -93.9 -32.0 9.7 -16.9 4.9 91 90 B E < 0 0 187 -4,-2.2 -3,-0.1 -5,-0.2 -4,-0.1 0.991 360.0 360.0 56.6 360.0 10.5 -15.9 8.5