==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-OCT-10 3P2U . COMPND 2 MOLECULE: PROTEIN PHNP; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.PODZELINSKA,Y.M.KIM,D.ZECHEL,F.FAUCHER,Z.JIA . 499 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.8 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 . 6 1.2 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 . 40 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 14.0 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+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 6 0 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 4 6 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 . 2 0 3 2 3 4 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 2 0 0 0 4 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 S 0 0 96 0, 0.0 45,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.6 17.3 20.9 16.2 2 3 A L E +A 45 0A 27 43,-0.2 2,-0.3 2,-0.0 43,-0.2 -0.984 360.0 167.3-127.5 121.5 13.5 20.9 16.5 3 4 A T E -A 44 0A 49 41,-2.2 41,-2.8 -2,-0.4 2,-0.4 -0.955 14.1-162.6-129.2 150.9 11.2 19.5 13.8 4 5 A L E -AB 43 248A 6 244,-2.2 244,-3.1 -2,-0.3 2,-0.5 -0.997 0.6-165.1-135.4 128.0 7.4 18.6 14.0 5 6 A T E -AB 42 247A 29 37,-2.6 37,-2.4 -2,-0.4 2,-0.9 -0.956 16.2-142.5-111.6 131.4 5.5 16.4 11.6 6 7 A L E +AB 41 246A 0 240,-2.5 239,-3.4 -2,-0.5 240,-0.6 -0.838 22.4 177.5 -87.8 106.6 1.7 16.5 11.5 7 8 A T E S+ 0 0 12 33,-1.2 2,-0.3 -2,-0.9 30,-0.2 0.771 71.0 19.9 -84.7 -25.1 0.9 12.9 10.9 8 9 A G E +A 40 0A 0 32,-1.8 32,-1.8 -3,-0.1 -1,-0.3 -0.993 54.7 175.8-143.4 140.3 -2.9 13.4 11.1 9 10 A T + 0 0 0 28,-0.4 213,-2.6 -2,-0.3 2,-0.1 0.231 55.3 85.7-128.9 9.5 -4.8 16.6 10.7 10 11 A G B -gh 38 222B 0 27,-3.2 29,-1.6 211,-0.3 211,-0.2 -0.428 69.9-116.4-101.2 178.3 -8.5 15.4 10.9 11 12 A G - 0 0 9 211,-0.6 3,-0.5 27,-0.2 -1,-0.1 -0.306 52.8 -71.6 -97.9-166.4 -10.9 14.8 13.7 12 13 A A S S+ 0 0 31 1,-0.2 327,-0.1 -2,-0.1 -2,-0.0 0.860 132.7 51.0 -56.4 -39.2 -12.5 11.5 14.7 13 14 A Q S S- 0 0 53 1,-0.1 5,-0.4 326,-0.1 -1,-0.2 0.810 97.5-162.4 -69.5 -33.6 -14.8 11.5 11.6 14 15 A G - 0 0 12 -3,-0.5 210,-0.4 3,-0.1 23,-0.2 0.039 24.5 -56.1 77.7 172.7 -11.9 12.0 9.3 15 16 A V B S+I 36 0C 6 21,-1.4 21,-2.6 1,-0.3 2,-0.1 -0.981 127.4 38.3-129.8 121.1 -11.8 13.2 5.7 16 17 A P S S- 0 0 21 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.473 94.2-144.7 -74.5 148.2 -13.4 11.7 3.8 17 18 A A > - 0 0 0 -2,-0.1 3,-2.0 1,-0.1 -3,-0.1 -0.598 41.0 -86.4 -73.1 140.6 -16.2 11.1 6.3 18 19 A W T 3 S- 0 0 13 -5,-0.4 323,-3.2 318,-0.3 -1,-0.1 -0.279 109.1 -2.6 -58.5 125.5 -17.6 7.6 5.8 19 20 A G T 3 S+ 0 0 26 1,-0.2 -1,-0.3 321,-0.2 2,-0.2 0.288 98.2 133.3 80.2 -10.9 -20.3 7.7 3.1 20 21 A C < - 0 0 10 -3,-2.0 -1,-0.2 1,-0.1 320,-0.0 -0.531 33.7-176.0 -78.4 139.0 -20.1 11.5 2.6 21 22 A E + 0 0 157 -2,-0.2 -1,-0.1 4,-0.1 -3,-0.0 0.018 34.1 136.6-121.1 27.1 -19.9 12.8 -1.0 22 23 A C S > S- 0 0 42 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.162 74.8 -92.6 -63.7 168.7 -19.5 16.5 -0.2 23 24 A A H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.874 126.2 45.0 -54.5 -40.9 -17.0 18.4 -2.3 24 25 A A H > S+ 0 0 1 200,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 116.1 44.4 -72.1 -43.8 -14.2 17.9 0.3 25 26 A C H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.915 112.8 50.3 -69.6 -41.9 -14.9 14.2 0.9 26 27 A A H X S+ 0 0 17 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.927 111.4 50.2 -60.4 -42.7 -15.3 13.3 -2.8 27 28 A R H X S+ 0 0 57 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.903 108.6 51.7 -60.8 -42.7 -12.0 15.1 -3.5 28 29 A A H < S+ 0 0 0 -4,-2.1 7,-0.2 1,-0.2 -1,-0.2 0.790 108.2 51.9 -69.2 -26.4 -10.2 13.1 -0.8 29 30 A R H < S+ 0 0 94 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.870 113.8 43.9 -72.1 -37.1 -11.5 9.8 -2.2 30 31 A R H < S+ 0 0 180 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.861 126.2 28.8 -73.2 -40.7 -10.2 10.8 -5.6 31 32 A S >< - 0 0 50 -4,-2.6 3,-2.2 -5,-0.2 -1,-0.3 -0.928 66.4-156.8-130.0 107.9 -6.8 12.1 -4.4 32 33 A P G > S+ 0 0 83 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.671 86.1 78.5 -55.4 -24.8 -5.3 10.6 -1.1 33 34 A Q G 3 S+ 0 0 151 1,-0.3 211,-0.2 210,-0.0 -5,-0.1 0.728 93.3 52.4 -56.5 -22.5 -3.2 13.8 -0.6 34 35 A Y G < S+ 0 0 107 -3,-2.2 -1,-0.3 -7,-0.2 -6,-0.2 0.434 83.9 113.9 -96.3 -0.2 -6.4 15.4 0.7 35 36 A R < - 0 0 86 -3,-1.9 209,-0.5 -7,-0.2 2,-0.4 -0.394 53.0-151.9 -68.7 149.1 -7.2 12.7 3.2 36 37 A R B -I 15 0C 30 -21,-2.6 -21,-1.4 207,-0.1 -25,-0.1 -0.965 8.7-167.6-129.4 114.3 -7.0 13.5 6.9 37 38 A Q - 0 0 68 -2,-0.4 -27,-3.2 -30,-0.2 -28,-0.4 -0.395 48.9 -55.3 -86.7 169.8 -6.2 10.9 9.6 38 39 A P B S-g 10 0B 18 0, 0.0 -27,-0.2 0, 0.0 -1,-0.2 -0.189 71.3 -87.3 -55.5 137.9 -6.7 11.5 13.4 39 40 A C S S+ 0 0 0 -29,-1.6 2,-0.3 -30,-0.1 -30,-0.2 -0.201 74.6 130.8 -51.3 114.2 -5.0 14.5 14.8 40 41 A S E -A 8 0A 2 -32,-1.8 -32,-1.8 -3,-0.2 -33,-1.2 -0.976 30.9-164.5-163.2 161.9 -1.4 13.5 15.8 41 42 A G E -AC 6 52A 2 11,-2.4 11,-2.4 -2,-0.3 2,-0.4 -0.939 16.7-133.6-151.2 168.1 2.2 14.5 15.5 42 43 A V E -AC 5 51A 19 -37,-2.4 -37,-2.6 -2,-0.3 2,-0.5 -0.997 17.8-162.4-127.8 131.9 5.8 13.6 15.7 43 44 A V E -AC 4 50A 2 7,-2.9 7,-2.7 -2,-0.4 2,-0.5 -0.967 3.2-168.6-114.0 131.6 8.4 15.8 17.5 44 45 A K E -AC 3 49A 94 -41,-2.8 -41,-2.2 -2,-0.5 2,-0.6 -0.977 7.4-180.0-121.5 119.8 12.1 15.3 16.9 45 46 A F E > S-AC 2 48A 33 3,-2.6 3,-2.2 -2,-0.5 2,-0.3 -0.958 72.2 -50.2-117.7 110.1 14.6 17.1 19.1 46 47 A N T 3 S- 0 0 77 -45,-1.9 -43,-0.1 -2,-0.6 85,-0.0 -0.510 124.3 -23.2 56.3-120.0 18.0 16.1 17.9 47 48 A D T 3 S+ 0 0 142 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.559 116.5 104.7 -91.0 -9.7 17.8 12.3 17.8 48 49 A A E < -C 45 0A 11 -3,-2.2 -3,-2.6 83,-0.2 2,-0.5 -0.588 53.9-159.5 -85.7 130.7 14.9 12.0 20.3 49 50 A I E -C 44 0A 24 -2,-0.3 20,-2.5 -5,-0.2 21,-1.2 -0.919 9.0-173.6-117.1 128.9 11.4 11.3 19.0 50 51 A T E -Cd 43 70A 6 -7,-2.7 -7,-2.9 -2,-0.5 2,-0.7 -0.973 15.9-146.3-118.0 129.7 8.1 11.9 20.7 51 52 A L E -Cd 42 71A 5 19,-2.4 21,-2.9 -2,-0.4 2,-0.8 -0.880 12.2-150.5 -94.9 113.0 4.8 10.7 19.3 52 53 A I E -Cd 41 72A 0 -11,-2.4 -11,-2.4 -2,-0.7 21,-0.2 -0.788 65.9 -21.3 -87.0 111.1 2.1 13.2 20.2 53 54 A D - 0 0 5 19,-2.1 28,-0.2 -2,-0.8 -12,-0.2 0.130 63.4-125.1 66.1 170.4 -1.2 11.2 20.4 54 55 A A + 0 0 1 26,-2.6 29,-2.7 -15,-0.1 30,-0.4 -0.183 59.0 127.4-148.9 45.3 -1.8 7.8 18.9 55 56 A G + 0 0 0 -16,-0.2 26,-0.1 27,-0.2 -16,-0.1 0.640 47.6 100.6 -84.2 -16.6 -4.9 7.9 16.8 56 57 A L - 0 0 4 -18,-0.1 3,-0.4 24,-0.1 -48,-0.0 -0.377 64.3-147.5 -67.8 149.7 -3.3 6.4 13.7 57 58 A H S S+ 0 0 58 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.489 88.2 58.4 -97.6 -4.5 -4.0 2.8 13.1 58 59 A D >> + 0 0 50 1,-0.1 4,-1.2 2,-0.1 3,-1.1 -0.026 59.2 119.6-118.5 30.5 -0.6 1.9 11.5 59 60 A L H 3> S+ 0 0 10 -3,-0.4 4,-2.2 1,-0.2 3,-0.2 0.863 73.1 61.6 -60.9 -35.9 1.9 2.8 14.2 60 61 A A H 34 S+ 0 0 42 1,-0.2 -1,-0.2 -3,-0.2 209,-0.2 0.713 108.9 44.0 -64.2 -18.8 3.1 -0.8 14.3 61 62 A D H <4 S+ 0 0 109 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.687 114.8 46.8 -95.6 -23.3 4.1 -0.4 10.7 62 63 A R H < S+ 0 0 104 -4,-1.2 2,-0.3 -3,-0.2 -2,-0.2 0.771 120.1 27.6 -85.9 -28.5 5.7 3.1 11.0 63 64 A W < - 0 0 52 -4,-2.2 -1,-0.1 -5,-0.2 5,-0.0 -0.929 63.2-144.9-136.2 151.0 7.8 2.4 14.1 64 65 A S > - 0 0 67 -2,-0.3 3,-2.3 204,-0.1 4,-0.3 -0.815 48.4 -81.3-108.7 159.0 9.5 -0.5 15.8 65 66 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.0 0, 0.0 30,-0.0 -0.393 120.8 20.5 -59.4 131.7 9.7 -0.8 19.6 66 67 A G T 3 S+ 0 0 62 2,-0.3 26,-0.0 27,-0.1 -3,-0.0 0.266 93.3 105.3 94.1 -10.4 12.6 1.3 20.8 67 68 A S S < S+ 0 0 39 -3,-2.3 2,-0.3 2,-0.0 -18,-0.0 0.515 84.7 34.8 -83.7 -6.5 12.7 3.5 17.6 68 69 A F S S- 0 0 10 -4,-0.3 -2,-0.3 1,-0.1 -18,-0.2 -0.937 77.1-133.1-138.7 163.7 11.0 6.5 19.5 69 70 A Q - 0 0 66 -20,-2.5 2,-0.3 -2,-0.3 -19,-0.2 0.844 69.7 -22.4 -92.0 -37.6 11.5 7.6 23.0 70 71 A Q E -d 50 0A 3 -21,-1.2 -19,-2.4 25,-0.1 2,-0.3 -0.990 50.6-112.8-163.7 160.1 7.9 8.2 24.3 71 72 A F E -de 51 97A 0 25,-2.4 27,-3.0 -2,-0.3 2,-0.4 -0.806 22.4-160.4 -89.8 148.6 4.3 9.0 23.7 72 73 A L E -de 52 98A 1 -21,-2.9 -19,-2.1 -2,-0.3 2,-0.4 -0.976 13.8-160.7-128.5 113.9 2.9 12.3 24.8 73 74 A L - 0 0 0 25,-3.2 74,-0.1 -2,-0.4 3,-0.1 -0.782 21.4-165.4-102.1 140.6 -0.9 12.3 25.0 74 75 A T S S- 0 0 0 -2,-0.4 73,-2.5 1,-0.3 2,-0.3 0.854 73.9 -31.1 -83.3 -38.6 -3.3 15.2 25.0 75 76 A H - 0 0 0 71,-0.2 -1,-0.3 2,-0.1 71,-0.1 -0.960 58.6-100.4-173.1 173.5 -6.3 13.2 26.3 76 77 A Y + 0 0 4 69,-0.3 5,-0.1 -2,-0.3 70,-0.1 0.117 62.7 133.9-104.4 19.0 -8.0 9.8 26.3 77 78 A H >> - 0 0 28 1,-0.1 3,-2.2 3,-0.1 4,-0.7 -0.397 69.0-112.2 -58.6 146.4 -10.7 10.3 23.7 78 79 A M H >> S+ 0 0 4 1,-0.3 4,-2.6 2,-0.2 3,-1.1 0.839 114.0 61.2 -55.5 -38.4 -10.6 7.2 21.4 79 80 A D H 34 S+ 0 0 19 1,-0.3 -1,-0.3 2,-0.2 -24,-0.1 0.506 109.0 45.3 -71.8 -2.6 -9.4 9.1 18.3 80 81 A H H <4 S+ 0 0 0 -3,-2.2 -26,-2.6 -26,-0.1 -1,-0.3 0.485 126.4 24.9-112.1 -7.7 -6.2 10.0 20.2 81 82 A V H X< S+ 0 0 0 -3,-1.1 3,-2.3 -4,-0.7 4,-0.5 0.482 84.5 102.5-132.7 -4.2 -5.4 6.7 21.8 82 83 A Q T >< S+ 0 0 8 -4,-2.6 3,-1.1 1,-0.3 -27,-0.2 0.813 79.0 62.0 -56.9 -31.1 -6.9 3.9 19.6 83 84 A G T 3> S+ 0 0 3 -29,-2.7 4,-0.8 1,-0.2 -1,-0.3 0.657 91.7 66.8 -69.9 -14.2 -3.5 3.1 18.0 84 85 A L H <> S+ 0 0 0 -3,-2.3 4,-1.9 -30,-0.4 -1,-0.2 0.768 81.8 79.6 -73.2 -26.0 -2.1 2.1 21.4 85 86 A F H <4 S+ 0 0 6 -3,-1.1 4,-0.3 -4,-0.5 -1,-0.2 0.879 101.4 30.9 -58.7 -45.1 -4.4 -0.9 21.7 86 87 A P H >4 S+ 0 0 48 0, 0.0 3,-1.2 0, 0.0 182,-0.3 0.874 115.0 61.3 -81.7 -29.9 -2.5 -3.3 19.4 87 88 A L H >< S+ 0 0 1 -4,-0.8 3,-2.2 1,-0.2 -2,-0.2 0.828 89.6 70.4 -57.8 -34.1 1.0 -1.8 20.2 88 89 A R T 3< S+ 0 0 13 -4,-1.9 27,-2.2 1,-0.3 -1,-0.2 0.757 91.9 58.3 -62.3 -24.4 0.7 -2.7 23.9 89 90 A W T < S+ 0 0 80 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.277 86.2 119.9 -88.1 11.7 1.1 -6.4 23.2 90 91 A G < - 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0 0 15 -2,-2.3 -27,-0.0 1,-0.1 42,-0.0 -0.646 27.9-153.5 -70.8 121.6 -6.9 11.1 33.8 103 104 A E S S+ 0 0 165 -2,-0.5 -1,-0.1 1,-0.2 7,-0.0 0.651 86.5 39.9 -79.8 -12.4 -7.8 8.4 36.4 104 105 A Q S S- 0 0 141 1,-0.2 6,-0.3 6,-0.0 2,-0.2 0.752 79.9-173.4-104.8 -32.4 -9.8 6.3 34.0 105 106 A G - 0 0 4 4,-0.1 2,-0.4 5,-0.1 -1,-0.2 -0.517 48.5 -49.7 72.1-138.1 -7.9 6.3 30.7 106 107 A C S > S- 0 0 2 -2,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.985 89.8 -49.0-140.5 125.4 -9.6 4.6 27.8 107 108 A D T 3 S- 0 0 50 -2,-0.4 3,-0.4 1,-0.2 4,-0.2 -0.160 117.1 -23.8 45.7-133.6 -11.2 1.1 28.0 108 109 A D T 3> S+ 0 0 37 1,-0.2 4,-2.6 2,-0.1 -1,-0.2 0.158 100.1 113.3 -99.8 26.0 -8.7 -1.3 29.5 109 110 A L T <4 S+ 0 0 0 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.915 82.4 43.6 -55.9 -46.6 -5.4 0.5 28.7 110 111 A F T 4 S+ 0 0 67 -3,-0.4 -1,-0.2 -6,-0.3 -2,-0.1 0.893 116.8 44.7 -72.9 -38.2 -4.7 1.1 32.4 111 112 A K T 4 S+ 0 0 160 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.862 129.9 25.1 -72.4 -35.9 -5.6 -2.3 33.7 112 113 A H S < S+ 0 0 84 -4,-2.6 -1,-0.3 1,-0.1 -2,-0.1 -0.632 72.5 155.9-127.1 73.9 -3.8 -4.1 30.9 113 114 A P > - 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