==== 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 19-NOV-07 2JXG . 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) . 5330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 80.0 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 . 6 6.7 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 . 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 . 6 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.4 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 . 6 6.7 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 0 2 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 164 0, 0.0 2,-4.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.0 -5.8 4.2 -13.8 2 2 A A + 0 0 65 1,-0.1 2,-1.2 55,-0.0 56,-0.2 -0.199 360.0 168.2 -65.2 60.6 -8.1 6.0 -11.4 3 3 A T - 0 0 50 -2,-4.1 2,-0.3 54,-0.1 54,-0.2 -0.619 14.5-169.7 -80.8 99.8 -5.2 6.6 -9.0 4 4 A T B -A 56 0A 58 52,-2.8 52,-2.3 -2,-1.2 2,-0.8 -0.683 24.8-121.4 -86.8 139.4 -6.5 9.1 -6.4 5 5 A T + 0 0 101 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.729 39.5 167.1 -91.0 112.3 -3.7 10.4 -4.3 6 6 A L - 0 0 38 -2,-0.8 48,-5.1 48,-0.4 2,-0.3 -0.826 45.5 -98.3-113.0 155.9 -4.2 9.8 -0.5 7 7 A G B -B 53 0B 32 -2,-0.3 46,-0.3 46,-0.3 2,-0.1 -0.574 43.5-153.2 -74.3 131.1 -1.5 10.3 2.1 8 8 A V - 0 0 0 44,-5.1 44,-0.4 -2,-0.3 2,-0.4 -0.440 14.4-125.9 -95.5 176.8 0.1 6.9 2.8 9 9 A K + 0 0 39 42,-0.2 2,-0.3 -2,-0.1 42,-0.2 -0.679 49.8 146.6-124.6 76.1 1.9 5.8 6.0 10 10 A L B -C 50 0C 0 40,-2.3 40,-2.8 -2,-0.4 2,-0.3 -0.842 37.3-140.1-112.9 150.2 5.3 4.6 5.0 11 11 A D > - 0 0 27 -2,-0.3 4,-4.9 38,-0.2 5,-0.3 -0.812 23.4-120.3-105.7 149.1 8.6 4.8 6.9 12 12 A D H > S+ 0 0 95 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.977 118.9 46.7 -51.1 -60.8 11.9 5.6 5.3 13 13 A P H > S+ 0 0 98 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.922 118.3 42.7 -42.8 -52.4 13.3 2.3 6.5 14 14 A T H > S+ 0 0 28 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.917 108.3 59.4 -64.0 -42.8 10.1 0.6 5.2 15 15 A R H X S+ 0 0 76 -4,-4.9 4,-1.2 1,-0.3 -1,-0.2 0.899 103.6 52.0 -55.9 -38.5 10.2 2.6 2.0 16 16 A E H X S+ 0 0 124 -4,-2.5 4,-0.9 -5,-0.3 3,-0.4 0.914 105.5 54.6 -65.6 -38.7 13.6 1.2 1.2 17 17 A R H >X S+ 0 0 78 -4,-1.4 4,-1.3 -5,-0.3 3,-0.6 0.868 99.6 61.7 -64.9 -30.6 12.2 -2.3 1.7 18 18 A L H 3X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.903 91.9 66.3 -62.0 -35.7 9.4 -1.5 -0.8 19 19 A K H 3X S+ 0 0 80 -4,-1.2 4,-3.0 -3,-0.4 -1,-0.2 0.921 96.7 55.0 -52.7 -38.7 12.2 -1.0 -3.4 20 20 A A H X>S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-1.7 0.888 105.7 59.0 -65.2 -34.6 9.7 -3.0 -6.9 23 23 A Q H 3<5S+ 0 0 116 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.843 92.8 67.4 -63.7 -30.2 12.8 -5.1 -7.7 24 24 A S H 3<5S+ 0 0 111 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.908 122.9 15.8 -58.1 -38.5 10.5 -8.2 -7.9 25 25 A I H <<5S- 0 0 87 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.557 108.5-120.2-108.5 -14.4 8.9 -6.7 -11.0 26 26 A D T <5 + 0 0 123 -4,-3.1 -3,-0.2 -5,-0.2 2,-0.2 0.931 63.9 136.3 76.4 47.6 11.7 -4.1 -11.6 27 27 A R < - 0 0 101 -5,-1.7 -1,-0.2 -8,-0.2 -2,-0.1 -0.533 58.2 -72.2-119.0-177.2 9.5 -0.9 -11.4 28 28 A T > - 0 0 83 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.520 39.2-121.8 -77.6 140.7 9.6 2.5 -9.9 29 29 A P H > S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.948 111.9 41.7 -46.8 -64.4 9.3 3.0 -6.0 30 30 A H H > S+ 0 0 75 1,-0.3 4,-1.2 2,-0.2 3,-0.3 0.971 118.6 48.4 -49.6 -51.7 6.2 5.4 -6.0 31 31 A W H > S+ 0 0 96 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.854 105.7 58.4 -57.7 -34.4 4.8 3.2 -8.7 32 32 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.944 96.0 63.3 -63.7 -42.2 5.6 0.1 -6.6 33 33 A I H X S+ 0 0 1 -4,-2.4 4,-1.9 -3,-0.3 5,-0.3 0.914 98.9 54.4 -50.6 -42.2 3.4 1.6 -3.8 34 34 A K H X>S+ 0 0 15 -4,-1.2 4,-3.3 2,-0.2 5,-0.7 0.948 112.4 42.9 -61.6 -41.8 0.4 1.2 -6.1 35 35 A Q H X>S+ 0 0 21 -4,-1.4 4,-1.8 -3,-0.3 5,-1.4 0.985 109.8 56.1 -65.7 -52.4 1.2 -2.5 -6.6 36 36 A A H <5S+ 0 0 0 -4,-3.1 -1,-0.2 3,-0.2 -2,-0.2 0.831 119.8 33.5 -48.8 -31.9 1.9 -3.0 -2.9 37 37 A I H X5S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.915 132.1 28.1 -91.8 -53.4 -1.5 -1.7 -2.2 38 38 A F H >X5S+ 0 0 86 -4,-3.3 4,-2.3 -5,-0.3 3,-0.6 0.945 123.0 50.0 -74.6 -45.7 -3.6 -2.9 -5.2 39 39 A N H 3X - 0 0 26 -2,-0.3 4,-5.0 -54,-0.2 5,-0.3 -0.812 23.1-121.0-105.2 148.5 -8.9 4.7 -6.5 58 57 B D H > S+ 0 0 94 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.976 118.2 46.7 -51.0 -61.2 -12.2 5.4 -4.8 59 58 B P H > S+ 0 0 97 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.920 118.4 42.6 -42.5 -52.4 -13.6 2.0 -6.1 60 59 B T H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.920 108.4 59.2 -64.2 -43.3 -10.3 0.4 -4.9 61 60 B R H X S+ 0 0 72 -4,-5.0 4,-1.2 1,-0.3 -1,-0.2 0.898 103.4 52.6 -55.8 -37.9 -10.4 2.4 -1.6 62 61 B E H X S+ 0 0 123 -4,-2.5 4,-0.9 -5,-0.3 3,-0.4 0.916 105.3 54.4 -65.4 -38.3 -13.7 0.8 -0.8 63 62 B R H >X S+ 0 0 75 -4,-1.4 4,-1.3 -5,-0.3 3,-0.7 0.880 99.8 61.5 -64.6 -32.2 -12.3 -2.6 -1.4 64 63 B L H 3X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.3 5,-0.3 0.902 92.2 66.3 -60.9 -35.7 -9.6 -1.7 1.1 65 64 B K H 3X S+ 0 0 81 -4,-1.2 4,-2.9 -3,-0.4 -1,-0.3 0.920 96.5 55.1 -53.1 -38.6 -12.4 -1.4 3.7 66 65 B A H X>S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-1.8 0.886 105.6 59.1 -65.2 -34.2 -9.8 -3.4 7.2 69 68 B Q H 3<5S+ 0 0 117 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.845 93.1 66.9 -63.8 -30.4 -12.8 -5.6 7.9 70 69 B S H 3<5S+ 0 0 112 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.906 122.8 16.5 -58.6 -38.1 -10.5 -8.6 8.1 71 70 B I H <<5S- 0 0 84 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.501 108.7-120.7-110.0 -9.3 -8.9 -7.1 11.3 72 71 B D T <5 + 0 0 125 -4,-2.6 -3,-0.2 -5,-0.2 2,-0.2 0.953 63.6 137.0 71.0 50.3 -11.7 -4.6 11.9 73 72 B R < - 0 0 96 -5,-1.8 -1,-0.2 -8,-0.2 -2,-0.0 -0.562 57.9 -72.3-121.0-177.5 -9.6 -1.4 11.7 74 73 B T > - 0 0 82 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.523 39.2-122.2 -77.4 140.1 -9.8 2.1 10.3 75 74 B P H > S+ 0 0 40 0, 0.0 4,-2.4 0, 0.0 3,-0.1 0.946 111.5 41.6 -47.0 -63.7 -9.5 2.7 6.4 76 75 B H H > S+ 0 0 74 1,-0.3 4,-1.2 2,-0.2 3,-0.3 0.975 118.7 48.2 -50.0 -52.5 -6.5 5.1 6.5 77 76 B W H > S+ 0 0 98 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.852 105.8 58.6 -57.0 -34.4 -5.0 2.9 9.1 78 77 B L H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.945 95.8 63.4 -63.6 -42.2 -5.8 -0.1 6.9 79 78 B I H X S+ 0 0 1 -4,-2.4 4,-1.9 -3,-0.3 5,-0.3 0.913 98.8 54.4 -50.3 -42.4 -3.6 1.4 4.2 80 79 B K H X>S+ 0 0 17 -4,-1.2 4,-3.4 2,-0.2 5,-0.7 0.950 112.3 43.0 -61.6 -42.0 -0.6 1.1 6.4 81 80 B Q H X>S+ 0 0 20 -4,-1.4 4,-1.7 -3,-0.3 5,-1.5 0.983 109.7 56.4 -65.5 -51.8 -1.3 -2.7 6.9 82 81 B A H <5S+ 0 0 0 -4,-3.2 -1,-0.2 3,-0.2 -2,-0.2 0.836 120.1 32.7 -49.0 -32.0 -2.0 -3.1 3.2 83 82 B I H X5S+ 0 0 0 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.911 132.3 28.9 -92.2 -53.0 1.4 -1.7 2.5 84 83 B F H >X5S+ 0 0 89 -4,-3.4 4,-2.3 -5,-0.3 3,-0.6 0.948 122.9 49.3 -74.2 -46.2 3.5 -2.9 5.5 85 84 B N H 3X