==== 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 2JXH . 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) . 4979.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 77.8 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 . 10 11.1 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 . 4 4.4 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 . 48 53.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.4 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 0 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 . 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 0 120 0, 0.0 2,-0.4 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0-158.4 6.4 2.2 13.3 2 2 A A + 0 0 66 2,-0.0 56,-0.5 0, 0.0 2,-0.4 -0.070 360.0 157.0 -84.8 36.2 8.0 5.3 11.7 3 3 A T E -A 57 0A 26 -2,-0.4 54,-0.3 54,-0.2 2,-0.3 -0.499 16.7-178.9 -69.4 117.7 5.0 5.5 9.3 4 4 A T E -A 56 0A 64 52,-2.6 52,-3.4 -2,-0.4 2,-1.1 -0.763 39.6 -92.4-114.3 160.7 4.5 9.0 7.9 5 5 A T E +A 55 0A 102 -2,-0.3 2,-0.3 50,-0.2 50,-0.3 -0.632 58.0 167.9 -78.3 102.2 1.9 10.3 5.5 6 6 A L E -A 54 0A 46 48,-3.3 48,-3.3 -2,-1.1 2,-0.5 -0.751 42.3 -92.1-112.2 159.8 3.5 10.0 2.1 7 7 A G E +A 53 0A 44 -2,-0.3 2,-0.3 46,-0.2 46,-0.2 -0.610 51.1 169.5 -77.3 123.0 2.1 10.3 -1.3 8 8 A V E -A 52 0A 0 44,-3.3 44,-3.3 -2,-0.5 2,-0.7 -0.880 37.3-108.0-130.1 159.0 0.9 7.0 -2.7 9 9 A K E +A 51 0A 32 -2,-0.3 2,-0.3 42,-0.3 42,-0.2 -0.816 47.7 157.0 -94.9 116.8 -1.2 6.0 -5.8 10 10 A L E -A 50 0A 0 40,-3.3 40,-2.5 -2,-0.7 2,-0.2 -0.999 35.6-130.6-140.0 138.4 -4.7 4.8 -4.9 11 11 A D E > -A 49 0A 7 -2,-0.3 4,-3.1 38,-0.3 5,-0.2 -0.542 28.9-115.6 -82.2 154.5 -7.9 4.6 -6.9 12 12 A D H > S+ 0 0 110 36,-0.5 4,-2.1 2,-0.2 5,-0.2 0.961 119.4 40.1 -55.3 -54.0 -11.1 6.0 -5.4 13 13 A P H > S+ 0 0 84 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.858 115.7 53.4 -63.0 -33.6 -12.8 2.6 -5.3 14 14 A T H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 105.6 52.9 -66.2 -40.1 -9.4 1.1 -4.2 15 15 A R H X S+ 0 0 65 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.924 111.3 46.4 -60.1 -44.0 -9.3 3.6 -1.4 16 16 A E H X S+ 0 0 138 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.877 107.2 57.9 -64.4 -39.0 -12.7 2.4 -0.3 17 17 A R H X S+ 0 0 57 -4,-2.4 4,-3.2 1,-0.2 -1,-0.2 0.875 102.1 55.0 -59.7 -38.8 -11.5 -1.2 -0.8 18 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.904 108.1 48.3 -61.1 -40.2 -8.8 -0.4 1.8 19 19 A K H X S+ 0 0 115 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.925 113.7 46.8 -63.5 -43.2 -11.6 0.7 4.2 20 20 A A H X S+ 0 0 43 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.874 111.2 51.6 -63.0 -39.9 -13.4 -2.5 3.4 21 21 A A H X S+ 0 0 5 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.897 108.9 51.4 -62.8 -40.3 -10.1 -4.3 3.9 22 22 A A H <>S+ 0 0 0 -4,-2.7 5,-3.6 1,-0.2 4,-0.4 0.941 113.0 44.3 -60.2 -47.6 -9.8 -2.6 7.2 23 23 A Q H ><5S+ 0 0 117 -4,-2.7 3,-0.5 3,-0.2 -2,-0.2 0.866 112.3 52.9 -64.7 -39.3 -13.3 -3.7 8.0 24 24 A S H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.822 118.3 36.0 -65.9 -33.4 -12.5 -7.2 6.7 25 25 A I T 3<5S- 0 0 61 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.313 113.5-118.5-102.9 5.6 -9.5 -7.4 9.0 26 26 A D T < 5S+ 0 0 149 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.893 70.7 129.3 58.5 45.3 -11.2 -5.5 11.8 27 27 A R < - 0 0 71 -5,-3.6 -1,-0.2 -8,-0.2 -2,-0.2 -0.923 62.7-106.9-127.3 151.8 -8.6 -2.7 11.7 28 28 A T >> - 0 0 85 -2,-0.3 4,-3.9 1,-0.1 3,-0.6 -0.542 35.6-110.4 -76.9 144.1 -9.1 1.1 11.5 29 29 A P H 3> S+ 0 0 33 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.837 120.2 52.6 -39.7 -44.3 -8.3 2.8 8.1 30 30 A H H 3> S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 25,-0.1 0.946 117.6 36.5 -59.9 -49.3 -5.2 4.5 9.7 31 31 A W H <> S+ 0 0 84 -3,-0.6 4,-2.9 2,-0.2 5,-0.3 0.913 119.0 50.8 -68.2 -44.7 -4.0 1.1 11.0 32 32 A L H X S+ 0 0 1 -4,-3.9 4,-4.0 2,-0.2 -2,-0.2 0.923 108.7 50.4 -60.4 -47.2 -5.1 -0.7 7.9 33 33 A I H X S+ 0 0 3 -4,-3.5 4,-1.7 -5,-0.3 5,-0.3 0.918 112.5 47.7 -60.3 -43.4 -3.5 1.7 5.5 34 34 A K H X S+ 0 0 35 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 0.954 120.0 37.8 -60.9 -51.1 -0.2 1.4 7.4 35 35 A Q H X>S+ 0 0 0 -4,-2.9 4,-3.4 3,-0.2 5,-0.7 0.844 106.9 67.0 -71.3 -32.0 -0.4 -2.4 7.4 36 36 A A H <5S+ 0 0 0 -4,-4.0 4,-0.3 -5,-0.3 -1,-0.2 0.918 115.5 28.2 -56.2 -43.2 -1.9 -2.6 3.9 37 37 A I H X5S+ 0 0 0 -4,-1.7 4,-1.3 18,-0.2 -2,-0.2 0.891 129.4 40.9 -85.0 -41.9 1.4 -1.3 2.5 38 38 A F H X5S+ 0 0 63 -4,-2.6 4,-2.2 -5,-0.3 -3,-0.2 0.915 117.3 47.3 -73.1 -43.3 3.7 -2.7 5.3 39 39 A N H X5S+ 0 0 19 -4,-3.4 4,-2.9 2,-0.3 -1,-0.2 0.777 104.9 62.6 -68.0 -26.0 1.9 -6.0 5.6 40 40 A Y H > -A 3 0A 6 -2,-0.3 4,-3.1 -54,-0.3 -54,-0.2 -0.535 28.9-115.5 -82.0 154.9 8.0 4.7 6.8 58 57 B D H > S+ 0 0 111 -56,-0.5 4,-2.0 2,-0.2 5,-0.2 0.963 119.4 40.1 -55.4 -54.5 11.2 6.1 5.3 59 58 B P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.843 115.6 53.7 -63.0 -32.0 12.9 2.7 5.2 60 59 B T H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 105.3 52.9 -67.3 -40.0 9.6 1.2 4.1 61 60 B R H X S+ 0 0 66 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.925 111.5 46.1 -60.4 -43.8 9.4 3.7 1.3 62 61 B E H X S+ 0 0 139 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.869 107.4 58.0 -64.9 -38.1 12.9 2.5 0.2 63 62 B R H X S+ 0 0 57 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.880 102.1 54.6 -59.9 -39.5 11.7 -1.0 0.6 64 63 B L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.903 108.2 48.6 -60.8 -40.3 9.0 -0.3 -1.9 65 64 B K H X S+ 0 0 115 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.926 113.5 46.7 -63.0 -43.6 11.7 0.9 -4.3 66 65 B A H X S+ 0 0 43 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.870 111.2 51.9 -62.7 -39.7 13.6 -2.3 -3.5 67 66 B A H X S+ 0 0 5 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.897 108.7 51.3 -62.9 -40.7 10.3 -4.2 -4.0 68 67 B A H <>S+ 0 0 0 -4,-2.7 5,-3.6 2,-0.2 4,-0.4 0.938 113.0 44.4 -59.6 -47.4 10.0 -2.4 -7.3 69 68 B Q H ><5S+ 0 0 118 -4,-2.6 3,-0.5 3,-0.2 -2,-0.2 0.866 112.3 52.7 -65.1 -39.5 13.5 -3.5 -8.2 70 69 B S H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.813 118.0 36.5 -66.2 -32.9 12.8 -7.0 -6.9 71 70 B I T 3<5S- 0 0 60 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.306 113.6-117.9-102.8 5.4 9.7 -7.2 -9.1 72 71 B D T < 5S+ 0 0 152 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.889 71.2 128.7 59.9 44.3 11.4 -5.3 -11.9 73 72 B R < - 0 0 71 -5,-3.6 -1,-0.2 -8,-0.2 -2,-0.2 -0.923 62.7-107.4-127.6 152.1 8.9 -2.5 -11.8 74 73 B T >> - 0 0 85 -2,-0.3 4,-3.9 1,-0.1 3,-0.5 -0.535 35.9-110.0 -77.2 145.1 9.3 1.3 -11.6 75 74 B P H 3> S+ 0 0 34 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.841 120.1 52.7 -40.6 -44.7 8.4 3.0 -8.2 76 75 B H H 3> S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -67,-0.1 0.944 117.6 36.6 -59.1 -49.5 5.3 4.6 -9.8 77 76 B W H <> S+ 0 0 85 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.912 119.0 50.7 -68.3 -44.3 4.1 1.3 -11.1 78 77 B L H X S+ 0 0 1 -4,-3.9 4,-4.0 2,-0.2 -2,-0.2 0.924 108.8 50.2 -60.7 -47.6 5.3 -0.6 -8.0 79 78 B I H X S+ 0 0 3 -4,-3.6 4,-1.7 -5,-0.3 5,-0.3 0.915 112.5 47.9 -60.2 -43.6 3.6 1.8 -5.6 80 79 B K H X S+ 0 0 35 -4,-1.7 4,-2.6 -5,-0.3 5,-0.2 0.956 119.9 37.8 -60.6 -51.0 0.4 1.4 -7.5 81 80 B Q H X>S+ 0 0 0 -4,-2.9 4,-3.4 3,-0.2 5,-0.7 0.843 106.8 67.1 -71.4 -31.9 0.6 -2.3 -7.6 82 81 B A H <5S+ 0 0 0 -4,-4.0 4,-0.3 -5,-0.2 -1,-0.2 0.918 115.4 28.2 -56.3 -43.1 2.1 -2.5 -4.1 83 82 B I H X5S+ 0 0 0 -4,-1.7 4,-1.3 -74,-0.2 -2,-0.2 0.892 129.4 40.9 -85.0 -42.0 -1.2 -1.3 -2.7 84 83 B F H X5S+ 0 0 63 -4,-2.6 4,-2.2 -5,-0.3 -3,-0.2 0.918 117.4 47.3 -73.0 -43.4 -3.5 -2.7 -5.4 85 84 B N H X5S+ 0 0 19 -4,-3.4 4,-2.9 2,-0.3 -1,-0.2 0.768 104.7 62.9 -68.0 -25.7 -1.7 -6.0 -5.7 86 85 B Y H >