==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-11 3QGZ . COMPND 2 MOLECULE: HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR R.M.DOLOT,M.OZGA,A.KRAKOWIAK,B.NAWROT,W.J.STEC . 114 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 63 55.3 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 . 22 19.3 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 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 . 6 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 1 0 1 0 0 0 0 0 0 0 0 0 0 1 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 1 1 2 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 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 13 A P 0 0 149 0, 0.0 45,-0.1 0, 0.0 11,-0.1 0.000 360.0 360.0 360.0 132.8 24.1 19.5 49.9 2 14 A G - 0 0 5 43,-0.3 3,-0.3 9,-0.1 9,-0.2 0.263 360.0-113.0 95.5 -16.3 21.4 17.7 51.8 3 15 A G - 0 0 23 1,-0.1 95,-0.1 5,-0.1 8,-0.1 -0.042 36.9 -62.9 81.6-177.8 22.7 14.2 51.0 4 16 A D S S+ 0 0 134 4,-0.1 -1,-0.1 3,-0.0 2,-0.1 0.172 94.4 90.5-101.1 21.2 21.4 11.1 49.0 5 17 A T S > S- 0 0 21 -3,-0.3 4,-1.6 92,-0.1 3,-0.5 -0.446 94.3 -87.4-100.8 176.7 18.1 10.2 50.7 6 18 A I H > S+ 0 0 96 1,-0.3 4,-1.6 2,-0.2 9,-0.1 0.868 129.5 54.5 -51.5 -41.9 14.4 11.2 50.3 7 19 A F H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.843 100.0 58.1 -72.0 -29.9 15.1 14.0 52.6 8 20 A G H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.900 106.3 50.6 -56.8 -44.0 18.1 15.3 50.5 9 21 A K H <>S+ 0 0 85 -4,-1.6 5,-2.1 2,-0.2 6,-1.0 0.886 111.0 49.3 -60.6 -42.5 15.6 15.6 47.5 10 22 A I H ><5S+ 0 0 13 -4,-1.6 3,-1.1 3,-0.2 -2,-0.2 0.941 109.9 50.1 -64.8 -44.2 13.3 17.6 49.8 11 23 A I H 3<5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.887 112.1 47.0 -61.9 -37.2 16.0 19.9 51.0 12 24 A R T 3<5S- 0 0 89 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.487 110.8-126.5 -82.6 -9.2 17.1 20.6 47.4 13 25 A K T < 5 + 0 0 111 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.745 69.5 135.0 73.2 28.2 13.5 21.1 46.6 14 26 A E S - 0 0 43 47,-0.1 3,-1.7 48,-0.1 4,-0.4 -0.968 68.2-100.1-166.6 159.7 21.5 9.1 62.2 51 63 A I G > S+ 0 0 60 -2,-0.3 3,-1.5 36,-0.3 -1,-0.1 0.861 119.5 62.1 -62.9 -33.5 21.7 10.4 65.7 52 64 A S G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 36,-0.0 0.726 104.4 50.8 -67.5 -13.5 24.4 7.8 66.5 53 65 A A G < S+ 0 0 48 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.398 84.5 112.2 -97.9 -5.1 26.6 9.5 63.8 54 66 A A < - 0 0 28 -3,-1.5 2,-0.2 -4,-0.4 -6,-0.0 -0.428 58.6-141.7 -68.3 148.5 26.1 13.1 65.2 55 67 A E > - 0 0 131 -2,-0.1 3,-2.2 1,-0.1 4,-0.2 -0.646 25.9-100.2-108.9 165.1 29.2 14.7 66.7 56 68 A D G > S+ 0 0 137 1,-0.3 3,-2.0 -2,-0.2 4,-0.2 0.875 121.4 59.8 -52.2 -40.6 29.7 16.9 69.7 57 69 A A G 3 S+ 0 0 90 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.641 95.0 66.3 -67.8 -12.7 29.8 20.0 67.5 58 70 A D G <> S+ 0 0 9 -3,-2.2 4,-2.6 1,-0.2 -1,-0.3 0.392 70.8 98.7 -81.9 -0.2 26.3 19.1 66.3 59 71 A E H <> S+ 0 0 136 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.910 81.3 49.1 -58.0 -43.0 24.7 19.8 69.7 60 72 A S H > S+ 0 0 102 -3,-0.4 4,-1.9 -4,-0.2 -1,-0.2 0.884 112.5 48.5 -64.6 -36.6 23.5 23.3 68.9 61 73 A L H > S+ 0 0 20 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.910 110.8 50.4 -67.2 -44.7 22.0 22.0 65.6 62 74 A L H X S+ 0 0 40 -4,-2.6 4,-1.2 1,-0.2 3,-0.2 0.930 112.0 47.0 -61.7 -44.4 20.2 19.1 67.3 63 75 A G H X S+ 0 0 33 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.869 106.0 60.3 -64.7 -34.1 18.8 21.4 70.0 64 76 A H H X S+ 0 0 43 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.869 99.4 56.4 -57.9 -38.2 17.7 23.8 67.2 65 77 A L H X S+ 0 0 6 -4,-1.6 4,-2.2 -3,-0.2 -1,-0.2 0.909 108.6 47.7 -59.6 -40.2 15.6 21.1 65.7 66 78 A M H X S+ 0 0 101 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.904 111.4 48.2 -68.6 -41.9 13.8 20.8 69.0 67 79 A I H X S+ 0 0 79 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.916 112.6 49.8 -65.5 -40.3 13.3 24.6 69.4 68 80 A V H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.906 108.6 53.5 -61.9 -43.3 12.0 24.7 65.8 69 81 A G H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.933 107.5 50.1 -57.7 -42.0 9.7 21.9 66.7 70 82 A K H X S+ 0 0 96 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.916 112.4 48.5 -58.3 -46.1 8.3 23.8 69.7 71 83 A K H X S+ 0 0 101 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.917 112.5 46.5 -62.7 -43.0 7.7 26.9 67.5 72 84 A C H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.907 109.2 55.1 -67.1 -41.3 6.0 25.0 64.8 73 85 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 -1,-0.2 0.911 110.5 46.4 -59.0 -42.1 3.8 23.1 67.4 74 86 A A H ><5S+ 0 0 68 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.941 109.9 52.4 -64.9 -43.5 2.7 26.5 68.7 75 87 A D H 3<5S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.6 50.1 -59.2 -35.3 2.0 27.8 65.2 76 88 A L T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.298 120.3-109.4 -86.2 5.0 -0.1 24.7 64.6 77 89 A G T < 5 + 0 0 37 -3,-1.7 2,-2.4 1,-0.2 3,-0.3 0.715 58.0 158.9 77.3 27.7 -2.1 25.2 67.9 78 90 A L > < + 0 0 18 -5,-2.4 3,-1.4 1,-0.2 -1,-0.2 -0.316 12.1 150.6 -82.5 62.5 -0.8 22.3 69.9 79 91 A K T 3 + 0 0 191 -2,-2.4 -1,-0.2 1,-0.3 3,-0.1 0.690 67.5 53.2 -68.6 -25.0 -1.9 23.9 73.2 80 92 A K T 3 S- 0 0 211 1,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.451 117.6-102.3 -94.9 -0.8 -2.4 20.6 75.0 81 93 A G < - 0 0 34 -3,-1.4 25,-0.6 -8,-0.1 -1,-0.3 -0.636 31.4-133.9 113.6-171.1 1.2 19.3 74.2 82 94 A Y E -D 105 0A 94 -2,-0.2 2,-0.4 23,-0.2 23,-0.2 -0.966 15.5-110.9-172.0 170.7 2.9 17.0 71.8 83 95 A R E -D 104 0A 55 21,-2.5 21,-2.7 -2,-0.3 2,-0.4 -0.989 19.0-152.9-125.7 136.0 5.6 14.2 71.6 84 96 A M E -D 103 0A 56 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.869 17.9-175.8-106.2 136.9 9.0 14.5 70.0 85 97 A V E -D 102 0A 41 17,-2.3 17,-3.0 -2,-0.4 2,-0.4 -0.995 17.1-173.9-138.9 134.0 10.6 11.4 68.7 86 98 A V - 0 0 67 -2,-0.4 2,-0.4 15,-0.2 15,-0.1 -0.994 17.3-153.1-123.0 126.5 14.0 10.5 67.1 87 99 A N - 0 0 43 13,-0.5 2,-0.5 -2,-0.4 -36,-0.3 -0.840 7.1-164.5 -99.6 134.7 14.4 7.0 65.7 88 100 A E > - 0 0 59 -2,-0.4 4,-1.3 -38,-0.1 5,-0.2 -0.973 45.9 -42.4-120.0 123.3 17.9 5.4 65.5 89 101 A G H >>S- 0 0 12 -2,-0.5 5,-2.5 3,-0.2 4,-0.8 0.038 96.7 -34.8 64.6-165.5 18.6 2.3 63.5 90 102 A S H >45S+ 0 0 111 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.935 136.6 43.8 -62.5 -55.2 16.7 -0.8 63.0 91 103 A D H 345S+ 0 0 174 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.811 112.1 55.4 -64.1 -30.4 15.2 -1.2 66.6 92 104 A G H 3<5S- 0 0 29 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.673 114.7-116.2 -76.6 -11.8 14.3 2.5 66.6 93 105 A G T <<5 + 0 0 48 -3,-1.0 2,-0.4 -4,-0.8 -3,-0.2 0.680 54.2 163.6 81.9 24.3 12.3 2.2 63.4 94 106 A Q < + 0 0 13 -5,-2.5 -1,-0.3 1,-0.1 3,-0.1 -0.652 9.5 163.6 -78.9 125.8 14.5 4.4 61.3 95 107 A S + 0 0 102 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.440 64.0 55.4-113.1 -21.0 13.9 3.9 57.5 96 108 A V S S- 0 0 19 2,-0.1 2,-1.8 -91,-0.1 -1,-0.2 -0.996 77.3-140.8-121.6 122.9 15.5 7.1 56.1 97 109 A Y S S+ 0 0 90 -2,-0.4 2,-0.3 -3,-0.1 -47,-0.1 -0.395 73.0 92.3 -92.6 64.5 19.1 7.7 57.0 98 110 A H S S- 0 0 0 -2,-1.8 -49,-0.3 -51,-0.1 -2,-0.1 -0.929 89.5-100.5-145.9 126.5 19.0 11.4 57.5 99 111 A V + 0 0 4 -51,-2.9 2,-0.3 -2,-0.3 -49,-0.1 -0.163 49.1 174.5 -53.4 136.1 18.3 12.6 61.0 100 112 A H - 0 0 10 -13,-0.2 2,-0.6 -57,-0.2 -13,-0.5 -0.985 25.1-146.5-147.3 135.7 14.7 13.7 61.5 101 113 A L E -C 42 0A 7 -59,-2.8 -59,-2.2 -2,-0.3 2,-0.3 -0.893 16.6-149.8 -99.4 120.5 12.7 14.8 64.5 102 114 A H E -CD 41 85A 27 -17,-3.0 -17,-2.3 -2,-0.6 2,-0.4 -0.727 8.4-166.4 -83.9 141.1 9.0 13.8 64.6 103 115 A V E -CD 40 84A 0 -63,-2.7 -63,-2.3 -2,-0.3 2,-0.4 -0.995 11.9-179.8-128.5 119.7 6.6 16.1 66.4 104 116 A L E +CD 39 83A 12 -21,-2.7 -21,-2.5 -2,-0.4 2,-0.3 -0.966 15.6 125.3-123.0 136.6 3.1 14.5 67.0 105 117 A G E +CD 38 82A 0 -67,-2.7 -67,-2.3 -2,-0.4 -23,-0.2 -0.911 25.2 96.7-167.7-168.8 0.1 16.0 68.7 106 118 A G S S+ 0 0 50 -25,-0.6 2,-0.3 -2,-0.3 -24,-0.1 0.514 95.0 51.0 85.6 7.1 -3.6 16.8 68.5 107 119 A R S S- 0 0 118 -26,-0.1 2,-0.4 -69,-0.1 -1,-0.2 -0.955 102.2 -79.3-153.9 166.1 -4.5 13.7 70.4 108 120 A Q - 0 0 165 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.541 45.6-139.5 -65.8 127.8 -3.5 12.0 73.6 109 121 A M - 0 0 26 -2,-0.4 2,-0.1 -5,-0.1 -73,-0.0 -0.732 21.2-139.3 -88.6 140.0 -0.2 10.2 73.0 110 122 A N - 0 0 128 -2,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.234 18.6 -85.7 -95.2-178.3 -0.1 6.8 74.7 111 123 A W S S+ 0 0 181 2,-0.1 0, 0.0 -2,-0.1 0, 0.0 -0.995 99.3 41.6-143.3 135.0 2.5 4.8 76.6 112 124 A P S S- 0 0 94 0, 0.0 2,-2.0 0, 0.0 -2,-0.1 0.528 85.2-130.1 -70.9 167.3 4.8 3.0 75.8 113 125 A P 0 0 76 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.401 360.0 360.0 -88.0 65.6 5.9 5.1 72.9 114 126 A G 0 0 126 -2,-2.0 0, 0.0 0, 0.0 0, 0.0 -0.461 360.0 360.0 80.3 360.0 5.9 2.1 70.6