==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-APR-12 4EQE . COMPND 2 MOLECULE: HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.WANG,P.FANG,M.GUO . 228 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 62.3 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 . 52 22.8 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 . 2 0.9 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 . 13 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 2 0 2 0 0 0 0 0 0 0 0 0 0 2 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 2 2 4 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 ANTIPARALLEL 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 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 14 A G 0 0 46 0, 0.0 3,-0.2 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0 -15.1 11.9 -4.5 -1.7 2 15 A G - 0 0 21 1,-0.1 2,-0.4 5,-0.1 95,-0.1 -0.102 360.0 -70.5 100.0 170.1 9.8 -1.3 -1.3 3 16 A D S S+ 0 0 142 93,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.340 94.2 90.2-100.1 46.1 8.9 2.0 -2.9 4 17 A T S >> S- 0 0 24 -2,-0.4 4,-1.6 -3,-0.2 3,-0.7 -0.862 92.4 -97.5-131.2 173.0 12.2 3.8 -2.2 5 18 A I H 3> S+ 0 0 92 -2,-0.3 4,-1.8 1,-0.3 9,-0.1 0.829 124.2 59.1 -61.1 -29.7 15.5 4.2 -3.9 6 19 A F H 3> S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.859 100.7 54.9 -69.0 -32.2 16.9 1.4 -1.8 7 20 A G H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.905 106.6 51.7 -60.6 -42.8 14.2 -0.9 -3.3 8 21 A K H <>S+ 0 0 72 -4,-1.6 5,-2.5 2,-0.2 6,-0.9 0.870 109.2 49.8 -61.3 -38.4 15.5 0.1 -6.7 9 22 A I H ><5S+ 0 0 14 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.941 110.3 50.0 -66.4 -46.0 19.0 -0.9 -5.7 10 23 A I H 3<5S+ 0 0 21 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.871 111.1 48.9 -55.4 -41.8 17.8 -4.2 -4.4 11 24 A R T 3<5S- 0 0 109 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.453 113.1-121.4 -80.9 -0.2 15.9 -4.9 -7.6 12 25 A K T < 5S+ 0 0 112 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.704 74.6 130.1 65.7 26.2 19.1 -4.0 -9.6 13 26 A E S - 0 0 47 47,-0.2 3,-1.8 48,-0.1 4,-0.3 -0.977 68.2-106.2-165.1 155.1 12.2 2.2 9.9 50 63 A I G > S+ 0 0 12 36,-0.3 3,-1.7 -2,-0.3 135,-0.1 0.819 111.6 69.8 -60.9 -29.4 13.6 0.5 13.0 51 64 A S G 3 S+ 0 0 40 1,-0.3 -1,-0.3 -3,-0.0 36,-0.0 0.715 101.9 45.3 -64.1 -18.5 10.6 1.8 15.1 52 65 A V G < S+ 0 0 79 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.369 84.6 116.6-106.6 5.9 8.3 -0.6 13.2 53 66 A A < - 0 0 0 -3,-1.7 2,-0.2 -4,-0.3 -3,-0.0 -0.388 54.6-144.2 -66.2 151.0 10.5 -3.7 13.4 54 67 A E > - 0 0 71 1,-0.1 3,-2.1 -2,-0.1 4,-0.2 -0.687 27.5 -99.0-114.8 169.8 9.0 -6.6 15.4 55 68 A D G > S+ 0 0 75 1,-0.3 3,-2.0 -2,-0.2 4,-0.3 0.852 121.3 62.8 -53.4 -35.5 10.4 -9.3 17.7 56 69 A D G 3 S+ 0 0 153 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.691 97.1 59.2 -66.3 -17.2 10.3 -11.7 14.7 57 70 A D G <> S+ 0 0 13 -3,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.428 75.5 101.6 -85.1 -1.8 12.8 -9.5 12.9 58 71 A E H <> S+ 0 0 34 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 0.892 81.9 44.1 -57.7 -45.3 15.5 -9.8 15.7 59 72 A S H > S+ 0 0 55 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.909 113.6 51.9 -68.6 -38.1 17.7 -12.3 13.9 60 73 A L H > S+ 0 0 25 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.923 110.6 48.0 -59.7 -46.1 17.4 -10.4 10.6 61 74 A L H X S+ 0 0 9 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.913 112.6 48.4 -63.4 -41.5 18.5 -7.2 12.3 62 75 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.852 105.5 59.4 -65.2 -34.1 21.4 -8.9 14.0 63 76 A H H X S+ 0 0 29 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.879 100.3 56.1 -60.1 -38.1 22.3 -10.4 10.7 64 77 A L H X S+ 0 0 11 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.912 109.4 46.1 -59.9 -40.9 22.7 -6.9 9.3 65 78 A M H X S+ 0 0 8 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.886 112.9 48.6 -70.4 -38.8 25.2 -6.1 12.1 66 79 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.945 113.7 46.6 -67.0 -45.7 27.1 -9.4 11.6 67 80 A V H X S+ 0 0 7 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.933 112.1 53.4 -58.3 -42.6 27.3 -8.8 7.8 68 81 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.923 109.8 45.4 -59.5 -45.2 28.4 -5.2 8.6 69 82 A K H X S+ 0 0 32 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.884 113.3 50.3 -71.3 -32.3 31.2 -6.2 10.8 70 83 A K H X S+ 0 0 82 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.916 111.9 47.6 -67.7 -42.3 32.4 -8.9 8.3 71 84 A C H X S+ 0 0 6 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.901 109.0 54.8 -63.7 -42.2 32.4 -6.4 5.5 72 85 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 -2,-0.2 0.924 109.9 46.3 -56.9 -45.3 34.3 -3.9 7.7 73 86 A A H ><5S+ 0 0 66 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.935 111.4 51.3 -62.9 -44.9 37.0 -6.4 8.3 74 87 A D H 3<5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.0 54.4 -62.7 -29.3 37.1 -7.3 4.6 75 88 A L T 3<5S- 0 0 62 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.332 121.8-108.7 -87.6 6.8 37.5 -3.6 3.7 76 89 A G T < 5 + 0 0 46 -3,-1.8 2,-2.1 1,-0.2 3,-0.2 0.697 63.1 154.0 79.2 23.1 40.5 -3.4 6.0 77 90 A L > < + 0 0 16 -5,-2.5 3,-1.1 1,-0.2 -1,-0.2 -0.361 12.6 147.4 -81.6 62.1 38.9 -1.4 8.9 78 91 A N T 3 + 0 0 148 -2,-2.1 -1,-0.2 1,-0.2 3,-0.1 0.529 63.9 57.9 -79.7 -7.1 41.3 -2.8 11.5 79 92 A K T 3 S- 0 0 91 1,-0.4 127,-3.0 -3,-0.2 128,-0.4 0.397 116.9 -98.0 -99.0 0.9 41.5 0.4 13.6 80 93 A G < - 0 0 3 -3,-1.1 25,-0.5 125,-0.2 -1,-0.4 -0.557 36.4-146.6 114.4-177.2 37.7 0.4 14.2 81 94 A Y E -DE 104 203A 6 122,-1.7 122,-2.5 -2,-0.2 2,-0.4 -0.963 17.1-107.3-175.0 175.9 34.5 2.0 12.9 82 95 A R E -DE 103 202A 0 21,-2.5 21,-2.6 -2,-0.3 2,-0.4 -0.992 17.4-153.6-129.2 135.2 31.1 3.2 13.8 83 96 A M E -DE 102 201A 2 118,-3.1 118,-2.4 -2,-0.4 2,-0.4 -0.887 18.9-175.2-103.7 140.0 27.7 1.7 13.1 84 97 A V E -DE 101 200A 0 17,-2.1 17,-3.0 -2,-0.4 2,-0.5 -0.997 19.1-172.3-139.7 134.0 24.6 3.9 12.9 85 98 A V E - E 0 199A 15 114,-2.4 114,-3.1 -2,-0.4 2,-0.4 -0.992 17.6-154.6-120.5 124.3 20.9 3.5 12.5 86 99 A N E - E 0 198A 5 13,-0.5 2,-0.5 -2,-0.5 -36,-0.3 -0.813 7.1-165.8 -97.6 134.8 18.8 6.7 12.0 87 100 A E E > - E 0 197A 13 110,-2.7 110,-1.6 -2,-0.4 4,-1.3 -0.975 44.8 -42.9-121.9 123.5 15.2 6.8 13.0 88 101 A G H >>S- 0 0 7 -2,-0.5 5,-2.4 108,-0.2 4,-0.7 0.024 95.5 -36.0 66.0-166.3 12.8 9.5 11.9 89 102 A S H >45S+ 0 0 82 1,-0.2 3,-1.1 106,-0.2 107,-0.2 0.939 137.3 43.7 -61.9 -53.4 13.2 13.3 11.7 90 103 A D H 345S+ 0 0 31 105,-3.1 134,-2.7 1,-0.3 -1,-0.2 0.826 113.1 54.1 -66.0 -29.9 15.4 13.8 14.8 91 104 A G H 3<5S- 0 0 0 -4,-1.3 -1,-0.3 104,-0.4 -2,-0.2 0.610 109.8-124.5 -77.1 -13.3 17.5 10.8 13.8 92 105 A G T <<5 - 0 0 32 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.784 39.8-179.0 75.3 28.3 18.1 12.3 10.4 93 106 A Q < - 0 0 18 -5,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.468 8.8-174.4 -66.7 122.1 16.7 9.2 8.6 94 107 A S + 0 0 93 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.704 66.2 32.9 -95.4 -24.5 17.1 10.0 4.9 95 108 A V S S- 0 0 22 2,-0.2 2,-1.9 -47,-0.1 -1,-0.2 -0.999 75.3-130.8-134.7 132.0 15.4 6.9 3.3 96 109 A Y 0 0 99 -2,-0.4 -47,-0.2 -3,-0.1 -93,-0.1 -0.422 360.0 360.0 -87.5 62.0 12.4 5.1 4.8 97 110 A H 0 0 4 -2,-1.9 -49,-0.3 -95,-0.1 -2,-0.2 -0.894 360.0 360.0-145.5 360.0 13.9 1.6 4.3 98 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 99 112 A H 0 0 20 0, 0.0 2,-0.6 0, 0.0 -13,-0.5 0.000 360.0 360.0 360.0 137.8 19.6 0.8 6.8 100 113 A L E -C 41 0A 9 -59,-2.7 -59,-2.0 -15,-0.1 2,-0.3 -0.908 360.0-150.2-100.7 117.1 22.8 0.2 8.9 101 114 A H E -CD 40 84A 5 -17,-3.0 -17,-2.1 -2,-0.6 2,-0.4 -0.677 8.9-167.6 -81.3 142.5 25.6 2.7 8.2 102 115 A V E +CD 39 83A 0 -63,-2.6 -63,-2.3 -2,-0.3 2,-0.4 -0.982 11.5 179.5-130.3 120.1 29.2 1.6 8.8 103 116 A L E +CD 38 82A 0 -21,-2.6 -21,-2.5 -2,-0.4 2,-0.3 -0.970 14.5 127.1-124.9 135.9 31.8 4.3 8.7 104 117 A G E +CD 37 81A 0 -67,-2.7 -67,-2.4 -2,-0.4 -23,-0.2 -0.931 25.9 95.5-164.7-171.9 35.5 4.1 9.2 105 118 A G S S+ 0 0 40 -25,-0.5 2,-0.3 -2,-0.3 -24,-0.1 0.481 94.6 51.2 91.3 2.7 39.0 5.0 7.9 106 119 A R S S- 0 0 60 -26,-0.1 2,-0.4 -69,-0.1 -1,-0.3 -0.953 102.5 -77.8-153.0 165.3 39.2 8.1 10.0 107 120 A Q - 0 0 80 -2,-0.3 2,-0.4 -3,-0.1 100,-0.1 -0.572 44.6-144.3 -65.0 125.5 38.7 9.0 13.6 108 121 A M - 0 0 4 98,-2.7 2,-0.1 -2,-0.4 121,-0.1 -0.770 21.0-139.9 -90.3 142.8 35.0 9.2 14.4 109 122 A H - 0 0 111 120,-2.7 -1,-0.0 -2,-0.4 97,-0.0 -0.389 15.3 -85.7-106.8 175.3 34.2 11.9 16.9 110 123 A W S S+ 0 0 60 -2,-0.1 119,-0.1 2,-0.1 98,-0.0 -0.998 101.2 41.7-134.2 131.3 31.9 12.4 19.9 111 124 A P S S- 0 0 54 0, 0.0 2,-1.9 0, 0.0 -2,-0.1 0.503 86.5-131.4 -72.5 163.4 29.0 13.3 20.0 112 125 A P 0 0 0 0, 0.0 -2,-0.1 0, 0.0 117,-0.1 -0.394 360.0 360.0 -84.6 60.9 27.9 11.2 17.0 113 126 A G 0 0 12 -2,-1.9 112,-2.6 115,-0.2 -3,-0.1 0.542 360.0 360.0 91.0 360.0 26.1 14.1 15.5 114 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 12 B R > 0 0 163 0, 0.0 3,-2.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 168.1 31.6 -14.1 36.1 116 13 B P T 3 + 0 0 101 0, 0.0 45,-0.1 0, 0.0 11,-0.1 -0.422 360.0 19.0 -59.4 121.1 28.2 -13.4 34.6 117 14 B G T 3 S- 0 0 5 43,-0.4 3,-0.2 -2,-0.2 9,-0.1 0.183 109.9-110.3 104.1 -17.4 28.4 -10.0 32.8 118 15 B G < - 0 0 9 -3,-2.0 8,-0.1 1,-0.2 95,-0.1 -0.134 36.9 -66.9 84.7-179.5 32.2 -9.8 32.5 119 16 B D S S+ 0 0 123 4,-0.1 -1,-0.2 3,-0.1 5,-0.1 0.591 93.1 98.2 -89.4 -16.7 34.9 -7.6 34.0 120 17 B T S >> S- 0 0 32 -3,-0.2 4,-1.5 92,-0.1 3,-0.8 -0.106 93.0 -96.7 -70.1 173.9 34.1 -4.1 32.6 121 18 B I H 3> S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 9,-0.1 0.797 126.3 61.8 -58.7 -27.5 32.1 -1.5 34.5 122 19 B F H 3> S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.848 99.4 53.8 -71.1 -32.4 29.1 -2.7 32.5 123 20 B G H <> S+ 0 0 0 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.905 106.4 52.5 -62.2 -42.0 29.5 -6.1 34.2 124 21 B K H <>S+ 0 0 71 -4,-1.5 5,-2.9 2,-0.2 6,-1.0 0.898 110.5 48.3 -58.4 -41.7 29.5 -4.3 37.5 125 22 B I H ><5S+ 0 0 8 -4,-1.8 3,-1.5 3,-0.2 -2,-0.2 0.934 108.9 52.6 -65.2 -46.9 26.2 -2.7 36.4 126 23 B I H 3<5S+ 0 0 18 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.892 112.8 44.5 -55.0 -41.2 24.7 -6.0 35.3 127 24 B R T 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.397 112.9-120.7 -88.5 5.2 25.4 -7.5 38.7 128 25 B K T < 5S+ 0 0 119 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.817 74.9 129.8 60.2 36.3 24.2 -4.4 40.5 129 26 B E S - 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