==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-JAN-03 1J3G . COMPND 2 MOLECULE: AMPD PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER FREUNDII; . AUTHOR E.LIEPINSH,C.GENEREUX,D.DEHARENG,B.JORIS,G.OTTING . 187 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 7.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 1 0.5 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 . 22 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 16.0 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 0 0 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 PARALLEL BRIDGES PER LADDER . 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 89 0, 0.0 2,-0.2 0, 0.0 135,-0.0 0.000 360.0 360.0 360.0 153.6 -3.2 -6.4 -18.0 2 2 A L - 0 0 101 7,-0.1 7,-1.2 6,-0.0 2,-0.3 -0.525 360.0-170.2 -74.3 142.4 0.1 -8.0 -19.2 3 3 A L E -A 8 0A 63 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.980 1.4-166.5-131.9 136.5 1.6 -10.8 -17.0 4 4 A D E > S-A 7 0A 92 3,-1.9 3,-2.1 -2,-0.3 -2,-0.0 -1.000 71.9 -9.6-134.8 124.2 5.2 -12.1 -17.7 5 5 A E T 3 S- 0 0 185 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.792 124.1 -64.5 54.0 35.3 6.6 -15.4 -16.2 6 6 A G T 3 S+ 0 0 64 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.526 120.8 109.1 67.0 4.0 3.5 -15.5 -13.9 7 7 A W E < S-A 4 0A 83 -3,-2.1 -3,-1.9 82,-0.1 2,-0.5 -0.525 87.8 -85.4 -97.5 168.0 4.8 -12.3 -12.4 8 8 A L E -A 3 0A 11 -5,-0.2 3,-0.3 -2,-0.2 -5,-0.2 -0.711 49.8-138.9 -80.4 123.5 3.2 -8.9 -12.9 9 9 A A S S+ 0 0 3 -7,-1.2 3,-0.1 -2,-0.5 -7,-0.1 -0.376 77.9 33.2 -80.3 168.8 4.6 -7.4 -16.2 10 10 A E S S+ 0 0 142 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.910 98.2 107.8 44.2 58.0 5.6 -3.8 -16.7 11 11 A A S S- 0 0 35 -3,-0.3 2,-0.5 72,-0.1 74,-0.3 -0.953 74.9-110.5-149.5 156.2 6.8 -3.5 -13.1 12 12 A R E -b 85 0B 111 72,-2.3 74,-2.8 -2,-0.3 2,-0.6 -0.866 33.8-130.6 -93.3 125.1 10.2 -3.2 -11.3 13 13 A R E +b 86 0B 208 -2,-0.5 74,-0.2 72,-0.2 72,-0.0 -0.666 40.4 156.7 -83.6 118.7 10.9 -6.4 -9.3 14 14 A V - 0 0 32 72,-3.0 2,-0.3 -2,-0.6 -1,-0.1 -0.623 22.3-166.2-136.2 66.7 12.0 -5.6 -5.7 15 15 A P - 0 0 70 0, 0.0 72,-0.1 0, 0.0 -2,-0.0 -0.480 33.1-108.6 -64.7 123.4 11.2 -8.8 -3.7 16 16 A S - 0 0 11 -2,-0.3 3,-0.2 1,-0.1 57,-0.1 -0.140 18.3-127.4 -54.8 142.7 11.4 -7.8 -0.0 17 17 A P S S+ 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.574 96.1 22.4 -73.4 -12.0 14.4 -9.2 1.8 18 18 A H S S- 0 0 123 54,-0.3 54,-0.1 0, 0.0 2,-0.1 -0.807 77.1-158.8-151.7 111.4 12.3 -10.7 4.7 19 19 A Y - 0 0 61 -2,-0.3 52,-0.1 -3,-0.2 75,-0.1 -0.307 13.8-125.4 -79.6 178.8 8.6 -11.5 4.2 20 20 A D - 0 0 6 73,-0.5 2,-0.2 72,-0.2 -1,-0.1 -0.206 8.0-153.2-108.0-173.2 5.9 -11.9 7.0 21 21 A C - 0 0 84 -2,-0.1 73,-0.1 73,-0.0 74,-0.1 -0.665 14.4-171.5-165.7 118.1 3.4 -14.7 8.1 22 22 A R - 0 0 43 -2,-0.2 2,-1.8 2,-0.1 71,-0.1 -0.953 29.0-122.7-121.3 139.1 0.1 -13.7 10.0 23 23 A P S S+ 0 0 129 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.459 74.7 102.4 -84.2 70.0 -2.4 -16.2 11.6 24 24 A D - 0 0 39 -2,-1.8 2,-0.3 2,-0.1 -2,-0.1 -0.952 50.3-159.7-143.5 154.7 -5.5 -15.0 9.7 25 25 A D + 0 0 149 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.807 31.4 133.1-151.2 103.4 -7.5 -16.4 6.7 26 26 A E - 0 0 58 -2,-0.3 -2,-0.1 85,-0.3 81,-0.0 -0.946 68.6 -83.6-136.6 147.0 -9.9 -14.3 4.5 27 27 A N - 0 0 90 -2,-0.3 2,-0.9 1,-0.1 84,-0.1 -0.343 47.9-119.9 -59.7 123.8 -9.8 -14.4 0.7 28 28 A P S S+ 0 0 43 0, 0.0 84,-0.1 0, 0.0 -1,-0.1 -0.554 72.1 111.7 -73.0 103.9 -7.1 -12.0 -0.5 29 29 A S + 0 0 3 -2,-0.9 2,-0.3 117,-0.1 85,-0.1 -0.433 32.0 124.2-172.2 79.4 -8.8 -9.3 -2.7 30 30 A L - 0 0 3 116,-0.1 2,-0.5 117,-0.0 121,-0.2 -0.975 49.2-138.4-139.9 133.7 -8.9 -5.8 -1.1 31 31 A L E -f 151 0C 2 119,-1.8 121,-2.3 -2,-0.3 2,-0.6 -0.890 16.9-158.4 -97.2 123.2 -7.5 -2.6 -2.8 32 32 A V E -f 152 0C 0 83,-0.8 2,-0.6 -2,-0.5 121,-0.3 -0.905 8.0-172.6-106.7 118.7 -5.6 -0.4 -0.3 33 33 A V + 0 0 3 119,-2.8 2,-0.3 -2,-0.6 121,-0.3 -0.970 31.7 117.4-116.0 114.8 -5.3 3.2 -1.4 34 34 A H - 0 0 9 -2,-0.6 83,-1.4 119,-0.1 2,-0.7 -0.901 62.1-111.7-167.3 152.3 -3.0 5.4 0.8 35 35 A N E +c 117 0B 37 131,-0.5 2,-0.2 -2,-0.3 83,-0.2 -0.903 53.3 147.1 -96.7 112.2 0.2 7.3 0.3 36 36 A I E -c 118 0B 57 81,-1.9 83,-1.1 -2,-0.7 2,-0.3 -0.746 32.1-160.7-127.5 176.0 3.0 5.6 2.3 37 37 A S + 0 0 23 -2,-0.2 81,-0.0 81,-0.2 -2,-0.0 -0.828 35.6 131.8-159.7 122.4 6.8 5.2 1.8 38 38 A L + 0 0 24 1,-0.3 14,-0.2 -2,-0.3 13,-0.2 0.413 52.9 66.6-142.2 -48.4 8.5 2.4 3.7 39 39 A P S S- 0 0 8 0, 0.0 2,-1.2 0, 0.0 3,-0.3 -0.648 73.7-127.6 -91.1 146.5 10.8 0.3 1.3 40 40 A P + 0 0 38 0, 0.0 3,-0.3 0, 0.0 9,-0.0 -0.195 55.4 140.6 -84.5 44.3 14.0 1.7 -0.4 41 41 A G S S- 0 0 12 -2,-1.2 2,-0.3 1,-0.3 0, 0.0 0.947 84.5 -21.0 -45.2 -65.0 13.1 0.6 -4.0 42 42 A E S S+ 0 0 68 -3,-0.3 2,-0.3 0, 0.0 -1,-0.3 -0.857 96.4 105.4-152.4 122.8 14.5 3.8 -5.5 43 43 A F - 0 0 89 -2,-0.3 0, 0.0 -3,-0.3 0, 0.0 -0.928 57.0-130.4-176.4 175.9 15.1 7.1 -3.6 44 44 A G + 0 0 83 -2,-0.3 0, 0.0 5,-0.0 0, 0.0 -0.160 70.0 113.9-130.6 27.1 17.8 9.3 -2.0 45 45 A G >> - 0 0 39 1,-0.1 4,-1.1 0, 0.0 3,-0.7 -0.943 55.3-154.6-101.1 118.2 16.2 9.7 1.4 46 46 A P H 3> S+ 0 0 109 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.659 84.9 69.6 -70.3 -17.5 18.3 7.9 4.0 47 47 A W H 3> S+ 0 0 83 2,-0.2 4,-1.1 1,-0.2 9,-0.1 0.916 100.3 46.4 -66.1 -43.3 15.4 7.3 6.5 48 48 A I H X> S+ 0 0 14 -3,-0.7 4,-1.2 2,-0.2 3,-0.6 0.940 116.4 44.1 -66.0 -47.2 13.7 4.7 4.2 49 49 A D H 3X S+ 0 0 90 -4,-1.1 4,-2.7 1,-0.2 5,-0.3 0.891 106.6 61.8 -65.9 -35.9 17.0 2.9 3.6 50 50 A A H 3X>S+ 0 0 16 -4,-2.4 4,-2.1 1,-0.2 6,-1.3 0.792 99.3 57.3 -57.9 -33.5 17.9 3.1 7.3 51 51 A L H <<5S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.966 111.6 39.5 -60.4 -54.6 14.8 1.0 8.0 52 52 A F H <5S+ 0 0 60 -4,-1.2 -2,-0.2 -14,-0.2 -1,-0.1 0.924 118.4 45.7 -66.8 -45.4 15.9 -1.9 5.8 53 53 A T H <5S- 0 0 98 -4,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.930 113.9-123.1 -63.6 -39.4 19.6 -1.7 6.8 54 54 A G T <5S+ 0 0 52 -4,-2.1 -3,-0.2 -5,-0.3 -4,-0.1 0.371 80.3 113.4 114.3 3.3 18.4 -1.4 10.5 55 55 A T < + 0 0 107 -5,-0.7 -4,-0.2 -6,-0.2 -5,-0.1 0.321 39.3 141.9 -88.6 9.0 20.0 1.9 11.7 56 56 A I - 0 0 30 -6,-1.3 -9,-0.0 -5,-0.1 -8,-0.0 -0.249 42.3-144.1 -54.6 136.0 16.6 3.7 12.0 57 57 A D > - 0 0 102 -10,-0.0 2,-2.4 1,-0.0 3,-0.5 -0.805 21.3-114.5-105.2 136.6 16.5 6.0 15.0 58 58 A P T 3 S+ 0 0 100 0, 0.0 -2,-0.0 0, 0.0 8,-0.0 -0.282 82.8 110.0 -72.3 60.9 13.2 6.5 17.1 59 59 A N T 3 + 0 0 128 -2,-2.4 -3,-0.0 2,-0.1 0, 0.0 0.887 61.8 55.5-103.5 -49.1 12.9 10.2 16.0 60 60 A A S < S- 0 0 53 -3,-0.5 3,-0.1 1,-0.2 -1,-0.0 0.955 119.9 -54.8 -54.6 -66.4 9.9 10.5 13.6 61 61 A H > - 0 0 94 1,-0.1 4,-1.4 0, 0.0 -1,-0.2 -0.956 51.5 -92.0-163.6 177.8 7.2 9.0 15.9 62 62 A P H > S+ 0 0 114 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.869 111.6 59.0 -70.4 -43.8 6.5 5.8 17.9 63 63 A Y H > S+ 0 0 128 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.950 110.4 40.4 -51.5 -57.9 4.5 3.7 15.3 64 64 A F H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 118.8 46.1 -59.5 -51.1 7.3 3.6 12.6 65 65 A A H < S+ 0 0 13 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.878 115.4 49.3 -57.9 -43.9 10.1 3.1 15.2 66 66 A G H >< S+ 0 0 40 -4,-2.9 3,-1.6 -5,-0.2 4,-0.3 0.990 111.4 45.6 -56.1 -65.2 8.0 0.4 16.9 67 67 A I H >< S+ 0 0 19 -4,-2.9 3,-2.1 1,-0.3 -2,-0.2 0.733 92.7 82.0 -59.3 -25.5 7.2 -1.6 13.7 68 68 A A T 3< S+ 0 0 22 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.776 84.0 62.1 -43.7 -43.0 10.8 -1.4 12.4 69 69 A H T < S+ 0 0 161 -3,-1.6 2,-0.4 -4,-0.5 -1,-0.3 0.811 99.4 62.2 -55.0 -38.3 11.6 -4.4 14.7 70 70 A L S < S- 0 0 65 -3,-2.1 -50,-0.1 -4,-0.3 2,-0.0 -0.761 98.3-116.2 -86.5 135.3 9.0 -6.4 12.7 71 71 A R - 0 0 71 -2,-0.4 2,-0.3 -52,-0.1 -2,-0.1 -0.380 29.9-140.5 -66.1 158.9 10.0 -6.8 9.0 72 72 A V + 0 0 19 -54,-0.1 -54,-0.3 -4,-0.1 2,-0.3 -0.837 21.6 176.0-116.4 161.6 7.7 -5.2 6.4 73 73 A S B -G 95 0D 5 22,-1.4 22,-2.7 -2,-0.3 2,-0.1 -0.847 4.0-175.0-165.8 122.9 6.5 -6.5 3.0 74 74 A A - 0 0 8 -2,-0.3 -58,-0.1 20,-0.2 21,-0.1 0.020 21.1-134.4 -95.8-154.0 4.0 -4.8 0.7 75 75 A H S S- 0 0 6 1,-0.1 12,-1.7 10,-0.1 2,-0.4 0.463 78.9 -0.2-131.1 -67.2 2.6 -6.3 -2.6 76 76 A C E -D 86 0B 5 10,-0.2 40,-1.8 2,-0.0 2,-0.5 -0.971 65.3-167.2-135.6 119.1 2.6 -3.7 -5.5 77 77 A L E -De 85 116B 0 8,-1.9 8,-2.8 -2,-0.4 2,-0.6 -0.954 5.6-158.5-113.3 118.1 3.8 -0.2 -4.7 78 78 A I E -De 84 117B 0 38,-2.1 40,-3.1 -2,-0.5 6,-0.2 -0.902 16.9-142.5-100.7 114.0 3.0 2.5 -7.4 79 79 A R E >> -De 83 118B 14 4,-1.4 4,-1.7 -2,-0.6 3,-0.9 -0.514 24.8-105.6 -83.3 153.8 5.4 5.5 -7.0 80 80 A R T 34 S+ 0 0 58 38,-1.2 49,-0.1 1,-0.3 -1,-0.1 0.461 114.3 67.7 -52.0 -17.9 4.3 9.1 -7.5 81 81 A D T 34 S- 0 0 85 47,-0.1 -1,-0.3 2,-0.1 45,-0.1 -0.039 125.9 -93.9 -91.8 27.1 6.1 9.4 -10.9 82 82 A G T <4 S+ 0 0 16 -3,-0.9 2,-0.3 43,-0.5 -2,-0.2 0.877 81.6 144.2 61.3 42.8 3.6 6.8 -12.4 83 83 A E E < - 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0 0 1 -75,-0.1 2,-0.2 -6,-0.1 -20,-0.2 -0.006 4.9-140.4-103.6-178.1 2.8 -9.9 3.0 95 95 A W B +G 73 0D 16 -22,-2.7 -22,-1.4 -21,-0.1 16,-0.1 -0.734 33.6 143.5-155.1 118.3 1.9 -7.2 5.7 96 96 A H + 0 0 19 14,-0.2 -21,-0.1 -2,-0.2 -22,-0.1 -0.325 62.6 40.2-158.2 63.1 1.6 -3.4 5.1 97 97 A A S S- 0 0 22 1,-0.1 2,-0.6 13,-0.1 12,-0.0 0.321 72.9-133.9-165.0 -56.8 -1.2 -1.6 7.1 98 98 A G S S- 0 0 13 2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.855 78.7 -11.0 116.0 -79.8 -1.8 -2.6 10.7 99 99 A V + 0 0 78 -2,-0.6 2,-0.3 10,-0.1 9,-0.2 -0.962 62.6 168.9-150.0 146.6 -5.7 -2.9 10.6 100 100 A S E -H 107 0E 2 7,-1.5 7,-3.1 -2,-0.3 2,-0.3 -0.949 9.5-165.9-156.2 150.7 -8.5 -1.9 8.2 101 101 A S E +H 106 0E 27 -2,-0.3 2,-0.3 5,-0.3 5,-0.3 -0.996 11.0 165.2-143.7 145.7 -12.3 -2.7 7.9 102 102 A Y E > +H 105 0E 48 3,-2.5 3,-1.4 -2,-0.3 55,-0.1 -0.962 65.8 3.4-155.4 145.3 -14.9 -2.3 5.1 103 103 A Q T 3 S- 0 0 118 -2,-0.3 3,-0.1 1,-0.3 55,-0.1 0.858 130.3 -51.2 42.1 53.8 -18.5 -3.6 4.6 104 104 A G T 3 S+ 0 0 84 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.758 117.1 111.5 60.5 28.4 -18.7 -5.5 7.9 105 105 A R E < -H 102 0E 114 -3,-1.4 -3,-2.5 2,-0.0 2,-0.4 -0.981 47.9-167.1-131.5 116.4 -15.3 -7.2 7.3 106 106 A E E -H 101 0E 124 -2,-0.4 2,-0.6 -5,-0.3 -5,-0.3 -0.898 10.6-149.7-103.6 135.3 -12.3 -6.3 9.4 107 107 A R E -H 100 0E 13 -7,-3.1 -7,-1.5 -2,-0.4 5,-0.0 -0.950 4.4-152.9-105.6 118.2 -8.9 -7.5 8.3 108 108 A C S S+ 0 0 67 -2,-0.6 2,-0.3 -9,-0.2 -1,-0.1 0.675 81.6 1.0 -60.6 -25.5 -6.7 -8.0 11.4 109 109 A N S S- 0 0 30 -9,-0.1 2,-1.9 -10,-0.1 -10,-0.1 -0.895 97.1 -79.6-154.3 170.4 -3.7 -7.3 9.2 110 110 A D + 0 0 1 -2,-0.3 -14,-0.2 1,-0.2 -13,-0.1 -0.640 66.3 151.3 -84.8 76.7 -3.0 -6.4 5.6 111 111 A F + 0 0 10 -2,-1.9 2,-0.3 -16,-0.1 -85,-0.3 -0.133 38.1 96.0-100.3 33.7 -3.4 -10.0 4.5 112 112 A S S S- 0 0 0 -84,-0.1 2,-2.1 -82,-0.1 -80,-0.1 -0.978 78.1-121.5-132.9 142.7 -4.7 -9.2 1.0 113 113 A I + 0 0 12 -2,-0.3 -23,-0.1 -38,-0.1 -2,-0.0 -0.458 66.8 131.7 -79.2 56.9 -2.9 -9.0 -2.4 114 114 A G - 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