==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ARTIFICIAL NUCLEOTIDE BINDING PROTEIN 28-JAN-04 1UW1 . COMPND 2 MOLECULE: ARTIFICIAL NUCLEOTIDE BINDING PROTEIN (ANBP); . SOURCE 2 EXPRESSION_SYSTEM: ESCHERICHIA COLI; . AUTHOR P.LO SURDO,M.A.WALSH,M.SOLLAZZO . 67 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 64.2 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 . 13 19.4 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 . 1 1.5 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 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 1 1 0 0 0 0 0 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 . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A D > 0 0 124 0, 0.0 3,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 112.4 6.9 60.8 21.8 2 8 A D T 3> + 0 0 122 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.320 360.0 66.4 -26.4 -26.9 3.7 58.7 21.9 3 9 A K H 3> S+ 0 0 129 -2,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.853 102.2 51.7 -66.3 -33.9 1.2 61.3 20.4 4 10 A K H <> S+ 0 0 59 -3,-2.7 4,-2.0 2,-0.2 3,-0.5 0.950 107.3 51.7 -62.4 -51.4 3.1 61.0 17.1 5 11 A T H > S+ 0 0 38 1,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.834 105.8 55.6 -54.5 -37.0 2.8 57.2 17.2 6 12 A N H X S+ 0 0 81 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.860 107.1 49.8 -65.7 -37.6 -0.9 57.6 17.7 7 13 A W H X S+ 0 0 148 -4,-1.4 4,-2.6 -3,-0.5 -2,-0.2 0.894 108.4 52.2 -63.7 -43.6 -1.1 59.6 14.6 8 14 A L H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.900 108.5 51.9 -63.0 -36.6 0.8 57.0 12.7 9 15 A K H X S+ 0 0 121 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.885 111.1 47.5 -65.4 -38.1 -1.7 54.4 13.9 10 16 A R H X S+ 0 0 126 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.931 112.2 48.4 -65.6 -48.5 -4.5 56.6 12.7 11 17 A I H < S+ 0 0 38 -4,-2.6 4,-0.3 1,-0.2 -2,-0.2 0.908 113.1 48.7 -58.5 -45.3 -2.9 57.1 9.3 12 18 A Y H >< S+ 0 0 60 -4,-2.4 3,-1.2 -5,-0.2 13,-0.3 0.926 111.1 50.3 -60.6 -46.1 -2.2 53.4 8.9 13 19 A R H 3< S+ 0 0 186 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.873 107.5 51.9 -64.6 -37.5 -5.8 52.4 9.9 14 20 A V T 3< S+ 0 0 108 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.461 97.6 74.3 -83.9 2.7 -7.5 54.7 7.4 15 21 A R < - 0 0 60 -3,-1.2 10,-0.5 -4,-0.3 -1,-0.2 -0.767 64.6-170.2-119.2 85.4 -5.5 53.5 4.4 16 22 A P B -A 24 0A 57 0, 0.0 7,-0.1 0, 0.0 5,-0.0 -0.226 47.5 -66.8 -64.2 161.1 -6.6 50.1 3.1 17 23 A C > - 0 0 2 6,-3.3 4,-1.5 1,-0.1 22,-0.2 -0.210 43.5-132.2 -45.9 134.8 -4.5 48.3 0.5 18 24 A V T 4 S+ 0 0 42 20,-2.2 -1,-0.1 1,-0.2 21,-0.1 0.707 100.2 43.9 -70.9 -19.7 -4.7 50.2 -2.8 19 25 A K T 4 S+ 0 0 90 19,-0.2 -1,-0.2 36,-0.1 20,-0.1 0.933 126.2 22.5 -90.1 -60.0 -5.5 47.1 -4.8 20 26 A C T 4 S- 0 0 55 3,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.602 87.0-148.4 -87.0 -13.4 -8.0 45.0 -2.8 21 27 A K S < S+ 0 0 159 -4,-1.5 -3,-0.1 1,-0.2 -1,-0.0 0.505 80.1 66.7 59.5 10.9 -9.3 48.1 -0.9 22 28 A V S S+ 0 0 124 2,-0.1 -1,-0.2 1,-0.0 -4,-0.0 0.702 79.1 71.8-121.9 -52.7 -10.1 46.0 2.2 23 29 A A S S- 0 0 30 -7,-0.1 -6,-3.3 1,-0.1 -2,-0.1 -0.255 83.6-105.5 -71.6 153.4 -7.0 44.6 3.8 24 30 A P B -A 16 0A 78 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.364 44.5 -96.0 -69.9 157.9 -4.5 46.8 5.8 25 31 A R - 0 0 22 -10,-0.5 15,-0.3 -13,-0.3 2,-0.1 -0.377 31.2-110.6 -73.0 151.6 -1.2 47.6 4.2 26 32 A N + 0 0 55 13,-2.0 11,-2.3 -2,-0.1 2,-0.3 -0.461 45.3 170.8 -71.7 158.7 2.0 45.8 4.7 27 33 A W E -B 36 0B 127 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.951 18.1-162.5-158.7 166.3 4.6 47.7 6.6 28 34 A K E -B 35 0B 85 7,-1.9 7,-2.9 -2,-0.3 2,-0.5 -0.977 23.7-118.1-155.5 158.8 8.0 47.4 8.2 29 35 A V E -B 34 0B 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.884 28.7-177.3 -98.9 123.5 10.2 49.3 10.7 30 36 A K E > -B 33 0B 65 3,-2.7 3,-2.1 -2,-0.5 2,-0.4 -0.907 57.0 -61.1-127.8 108.7 13.4 50.5 9.3 31 37 A N T 3 S- 0 0 137 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.475 121.6 -13.1 56.8-110.4 15.7 52.2 11.8 32 38 A K T 3 S+ 0 0 126 -2,-0.4 31,-2.6 -3,-0.1 2,-0.3 0.308 124.6 82.1-100.3 9.8 13.8 55.2 13.0 33 39 A H E < -BC 30 62B 65 -3,-2.1 -3,-2.7 29,-0.2 2,-0.5 -0.825 66.0-139.5-120.5 151.6 11.1 55.1 10.3 34 40 A L E -BC 29 61B 21 27,-2.8 27,-2.3 -2,-0.3 2,-0.6 -0.950 19.9-154.8-101.3 122.6 7.9 53.2 9.7 35 41 A R E -BC 28 60B 38 -7,-2.9 -7,-1.9 -2,-0.5 2,-0.6 -0.918 6.5-166.9 -99.1 117.2 7.5 52.2 6.0 36 42 A I E -BC 27 59B 1 23,-2.9 23,-2.2 -2,-0.6 -9,-0.2 -0.945 12.3-149.7-103.9 117.9 3.9 51.7 4.9 37 43 A Y E - C 0 58B 59 -11,-2.3 21,-0.3 -2,-0.6 19,-0.1 -0.470 21.3-116.4 -82.2 165.3 3.7 50.0 1.5 38 44 A N S S+ 0 0 38 19,-2.3 -20,-2.2 17,-0.2 2,-0.3 0.785 91.4 38.7 -76.3 -26.4 0.9 50.6 -0.9 39 45 A M S S- 0 0 7 18,-0.3 -13,-2.0 -22,-0.2 -2,-0.2 -0.822 82.3-105.5-124.4 162.4 -0.5 47.0 -0.7 40 46 A C > - 0 0 10 -15,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.189 46.2-101.0 -72.7 169.8 -1.2 44.2 1.7 41 47 A K H > S+ 0 0 114 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.915 120.7 52.8 -65.4 -40.2 1.1 41.2 1.5 42 48 A T H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 112.3 43.3 -60.2 -51.8 -1.3 39.1 -0.5 43 49 A C H > S+ 0 0 16 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.912 113.5 52.2 -64.5 -40.5 -1.8 41.7 -3.2 44 50 A F H X S+ 0 0 80 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.959 110.5 46.6 -61.0 -49.1 1.9 42.5 -3.4 45 51 A N H X S+ 0 0 75 -4,-2.7 4,-1.5 1,-0.2 3,-0.4 0.917 113.8 50.3 -59.7 -41.9 2.8 38.8 -3.8 46 52 A N H X S+ 0 0 71 -4,-2.1 4,-2.0 -5,-0.2 5,-0.2 0.895 102.5 61.0 -60.1 -38.6 0.0 38.5 -6.5 47 53 A S H X>S+ 0 0 7 -4,-2.8 5,-2.2 1,-0.2 4,-0.8 0.839 105.0 48.3 -61.4 -32.7 1.4 41.6 -8.3 48 54 A I H <5S+ 0 0 99 -4,-1.4 3,-0.3 -3,-0.4 -1,-0.2 0.913 110.1 51.0 -70.7 -42.3 4.6 39.8 -8.9 49 55 A D H <5S+ 0 0 135 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.799 116.0 41.2 -63.6 -35.1 2.9 36.7 -10.2 50 56 A I H <5S- 0 0 98 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.570 111.6-116.0 -90.9 -11.5 0.7 38.7 -12.6 51 57 A G T <5 + 0 0 70 -4,-0.8 2,-0.5 -3,-0.3 -3,-0.2 0.818 66.0 136.0 80.3 38.2 3.5 41.1 -13.8 52 58 A D < + 0 0 47 -5,-2.2 3,-0.2 -6,-0.2 -1,-0.2 -0.933 25.0 168.1-122.1 121.2 2.2 44.4 -12.5 53 59 A D > + 0 0 120 -2,-0.5 3,-1.6 1,-0.2 -1,-0.1 0.305 50.4 109.9-102.1 10.8 4.2 47.0 -10.8 54 60 A T T 3 S+ 0 0 89 1,-0.3 -1,-0.2 -7,-0.1 -2,-0.0 0.858 84.7 37.5 -55.1 -43.5 1.6 49.7 -11.1 55 61 A Y T 3 S+ 0 0 94 -3,-0.2 -1,-0.3 -11,-0.0 -17,-0.2 0.296 86.0 123.7 -98.8 12.9 0.8 49.7 -7.4 56 62 A H < + 0 0 70 -3,-1.6 2,-0.2 -18,-0.1 -3,-0.0 -0.462 41.4 85.8 -69.6 140.6 4.3 49.2 -6.1 57 63 A G - 0 0 33 -2,-0.1 -19,-2.3 -18,-0.1 -18,-0.3 -0.831 44.2-156.3 151.2 176.1 5.5 51.9 -3.7 58 64 A H E -C 37 0B 84 -21,-0.3 2,-0.3 -2,-0.2 -21,-0.2 -0.969 13.3-129.6-167.9 169.3 5.5 53.1 -0.1 59 65 A D E -C 36 0B 43 -23,-2.2 -23,-2.9 -2,-0.3 2,-0.3 -0.995 19.1-141.4-137.9 142.2 5.9 56.0 2.2 60 66 A D E -C 35 0B 68 -2,-0.3 2,-0.4 -25,-0.2 -25,-0.2 -0.817 13.9-166.4-105.8 141.4 8.2 56.4 5.2 61 67 A W E -C 34 0B 76 -27,-2.3 -27,-2.8 -2,-0.3 2,-0.3 -0.993 25.1-119.0-132.6 130.9 7.3 58.1 8.5 62 68 A L E -C 33 0B 47 -2,-0.4 -29,-0.2 -29,-0.2 5,-0.0 -0.550 18.7-151.9 -68.2 127.4 9.5 59.2 11.3 63 69 A M S S+ 0 0 49 -31,-2.6 2,-0.3 -2,-0.3 -58,-0.2 0.375 72.6 70.0 -86.3 3.1 8.5 57.3 14.5 64 70 A Y S S- 0 0 117 -32,-0.2 -2,-0.1 -60,-0.1 3,-0.1 -0.805 77.7-132.0-116.9 159.5 9.6 60.0 16.9 65 71 A A S S+ 0 0 60 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.802 93.9 55.2 -82.7 -31.0 8.1 63.5 17.5 66 72 A D 0 0 141 1,-0.1 -1,-0.1 -3,-0.0 -3,-0.0 -0.899 360.0 360.0-108.8 124.5 11.4 65.3 17.2 67 73 A S 0 0 137 -2,-0.5 -1,-0.1 -3,-0.1 -2,-0.0 0.493 360.0 360.0 -75.1 360.0 13.7 65.0 14.2