==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-SEP-11 3TW2 . COMPND 2 MOLECULE: HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.DOLOT,A.WLODARCZYK,M.OZGA,A.KRAKOWIAK,B.NAWROT . 228 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 62.7 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.9 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 11 A A 0 0 149 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 82.4 -35.0 -14.9 -35.6 2 12 A R > - 0 0 138 1,-0.1 3,-2.4 2,-0.1 2,-0.1 -0.315 360.0 -88.1 -59.0 138.0 -32.0 -13.2 -37.3 3 13 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 -0.339 115.9 16.9 -61.6 125.5 -29.0 -13.3 -34.9 4 14 A G T 3 S- 0 0 13 -2,-0.1 3,-0.3 -3,-0.1 7,-0.1 0.176 114.4-111.2 101.3 -15.3 -29.0 -10.3 -32.5 5 15 A G < - 0 0 20 -3,-2.4 95,-0.0 5,-0.2 0, 0.0 -0.151 34.1 -72.4 81.5-173.4 -32.7 -9.6 -33.2 6 16 A D S S+ 0 0 87 4,-0.1 -1,-0.2 5,-0.1 -2,-0.0 0.219 83.6 118.7-113.5 13.7 -34.3 -6.7 -35.1 7 17 A T S > S- 0 0 38 -3,-0.3 4,-2.4 92,-0.1 5,-0.2 -0.334 87.0 -95.1 -59.0 164.0 -33.9 -3.8 -32.7 8 18 A I H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 9,-0.1 0.879 129.8 49.8 -42.6 -45.8 -31.9 -0.9 -34.0 9 19 A F H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.862 105.5 53.7 -75.6 -35.1 -28.9 -2.5 -32.2 10 20 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.917 110.4 49.3 -59.7 -43.2 -29.4 -6.0 -33.7 11 21 A K H <>S+ 0 0 65 -4,-2.4 5,-2.8 2,-0.2 6,-0.7 0.911 109.8 50.8 -62.4 -42.2 -29.4 -4.3 -37.1 12 22 A I H ><5S+ 0 0 12 -4,-2.1 3,-1.8 -5,-0.2 -2,-0.2 0.930 106.4 55.3 -60.4 -43.7 -26.2 -2.4 -36.3 13 23 A I H 3<5S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.902 110.2 45.8 -55.9 -40.8 -24.6 -5.8 -35.2 14 24 A R T 3<5S- 0 0 46 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.292 115.1-116.3 -89.8 11.7 -25.4 -7.3 -38.6 15 25 A K T < 5S+ 0 0 117 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.770 79.1 126.8 63.6 28.3 -24.1 -4.2 -40.5 16 26 A E S - 0 0 43 47,-0.2 3,-1.6 48,-0.1 4,-0.3 -0.976 66.6-102.4-167.5 156.3 -32.9 -5.4 -20.7 53 63 A I G > S+ 0 0 3 -2,-0.3 3,-1.7 1,-0.3 132,-0.1 0.844 112.2 69.8 -63.4 -29.1 -30.8 -5.9 -17.6 54 64 A S G 3 S+ 0 0 41 1,-0.3 -1,-0.3 -3,-0.1 135,-0.0 0.731 104.8 41.9 -63.4 -18.8 -33.8 -6.9 -15.5 55 65 A V G < S+ 0 0 79 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.314 82.6 128.3-110.2 7.2 -34.0 -10.2 -17.5 56 66 A A < - 0 0 2 -3,-1.7 2,-0.2 -4,-0.3 -6,-0.0 -0.332 56.6-126.0 -61.0 143.3 -30.2 -11.0 -17.7 57 67 A E > - 0 0 113 1,-0.1 3,-2.2 0, 0.0 4,-0.1 -0.534 19.0-109.4 -91.9 159.7 -29.4 -14.6 -16.6 58 68 A D G > S+ 0 0 91 1,-0.3 3,-1.5 -2,-0.2 -1,-0.1 0.875 119.0 57.5 -53.8 -38.6 -26.9 -15.5 -13.9 59 69 A D G 3 S+ 0 0 121 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.492 89.5 75.5 -75.1 -0.7 -24.6 -17.0 -16.6 60 70 A D G <> + 0 0 7 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.393 67.1 100.7 -83.3 1.1 -24.5 -13.6 -18.3 61 71 A E H <> S+ 0 0 43 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.916 79.3 46.6 -56.8 -48.4 -22.2 -12.2 -15.6 62 72 A S H > S+ 0 0 68 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.869 112.8 51.0 -66.0 -33.0 -18.9 -12.5 -17.6 63 73 A L H > S+ 0 0 20 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.922 110.9 47.7 -67.5 -44.8 -20.5 -10.9 -20.7 64 74 A L H X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.927 112.4 49.0 -61.8 -44.5 -21.9 -7.9 -18.7 65 75 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.885 105.9 58.6 -60.1 -37.6 -18.5 -7.4 -17.0 66 76 A H H X S+ 0 0 12 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.866 99.4 57.7 -60.9 -37.5 -16.9 -7.6 -20.5 67 77 A L H X S+ 0 0 6 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.910 109.3 45.2 -57.6 -42.1 -19.0 -4.6 -21.5 68 78 A M H X S+ 0 0 7 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.880 112.7 49.6 -69.0 -40.5 -17.5 -2.6 -18.7 69 79 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.948 114.8 44.4 -64.0 -45.4 -13.9 -3.7 -19.4 70 80 A V H X S+ 0 0 7 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.918 112.0 54.3 -64.0 -39.8 -14.3 -2.8 -23.1 71 81 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.929 110.5 44.8 -60.0 -45.2 -16.0 0.5 -22.1 72 82 A K H X S+ 0 0 30 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.891 114.2 49.4 -70.7 -32.9 -13.1 1.5 -19.9 73 83 A K H X S+ 0 0 94 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.925 111.7 48.4 -70.1 -41.9 -10.5 0.5 -22.5 74 84 A C H X S+ 0 0 6 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.901 108.7 54.7 -62.7 -39.6 -12.4 2.4 -25.3 75 85 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 -2,-0.2 0.915 110.5 45.7 -60.4 -42.2 -12.6 5.4 -23.0 76 86 A A H ><5S+ 0 0 73 -4,-1.9 3,-1.9 1,-0.2 -1,-0.2 0.931 110.5 53.4 -64.0 -45.0 -8.8 5.3 -22.5 77 87 A D H 3<5S+ 0 0 124 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.750 108.6 51.6 -61.1 -26.7 -8.3 4.8 -26.3 78 88 A L T 3<5S- 0 0 61 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.295 119.9-109.0 -94.4 7.4 -10.4 7.9 -26.9 79 89 A G T < 5 + 0 0 46 -3,-1.9 2,-2.0 1,-0.2 -3,-0.2 0.732 62.7 153.0 78.4 21.6 -8.4 10.1 -24.5 80 90 A L > < + 0 0 17 -5,-2.5 3,-1.5 1,-0.2 -1,-0.2 -0.341 13.3 151.2 -83.6 61.3 -10.9 10.4 -21.7 81 91 A N T 3 + 0 0 150 -2,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.549 63.1 56.3 -75.9 -11.1 -8.1 10.9 -19.2 82 92 A K T 3 S- 0 0 128 1,-0.4 124,-2.6 -3,-0.2 125,-0.5 0.460 117.2-101.3 -96.1 -3.4 -10.1 13.0 -16.7 83 93 A G < - 0 0 2 -3,-1.5 25,-0.6 123,-0.2 -1,-0.4 -0.638 33.5-135.5 116.0-173.5 -12.8 10.3 -16.4 84 94 A Y E -DE 107 203A 8 119,-1.6 119,-2.8 -2,-0.2 2,-0.4 -0.970 16.2-110.7-174.5 167.8 -16.3 9.4 -17.5 85 95 A R E -DE 106 202A 1 21,-2.5 21,-2.7 -2,-0.3 2,-0.4 -0.979 18.5-153.7-122.9 132.9 -19.7 8.0 -16.4 86 96 A M E -DE 105 201A 0 115,-3.0 115,-2.2 -2,-0.4 2,-0.4 -0.910 19.5-175.3-103.5 135.8 -21.1 4.6 -17.3 87 97 A V E -DE 104 200A 0 17,-1.9 17,-3.0 -2,-0.4 2,-0.4 -0.995 19.8-170.1-136.1 137.1 -24.9 4.2 -17.4 88 98 A V E - E 0 199A 12 111,-2.3 111,-3.0 -2,-0.4 2,-0.5 -0.997 16.0-154.5-121.0 125.7 -27.5 1.4 -17.9 89 99 A N E - E 0 198A 12 -2,-0.4 2,-0.5 13,-0.4 -36,-0.2 -0.878 9.5-166.9 -98.7 124.2 -31.1 2.5 -18.3 90 100 A E E > - E 0 197A 9 107,-2.8 107,-1.6 -2,-0.5 4,-1.4 -0.956 44.4 -43.5-114.0 122.2 -33.8 -0.1 -17.3 91 101 A G H >>S- 0 0 7 -2,-0.5 5,-2.2 105,-0.2 4,-0.7 0.051 97.4 -35.6 64.0-165.5 -37.5 0.2 -18.2 92 102 A S H >45S+ 0 0 76 1,-0.2 3,-1.2 2,-0.2 104,-0.2 0.924 137.6 46.1 -64.8 -49.7 -39.7 3.3 -18.1 93 103 A D H 345S+ 0 0 14 102,-3.3 131,-2.8 1,-0.3 -1,-0.2 0.789 111.7 53.8 -65.8 -28.7 -38.3 4.9 -14.9 94 104 A G H 3<5S- 0 0 0 -4,-1.4 -1,-0.3 101,-0.4 -2,-0.2 0.612 113.5-120.5 -75.2 -12.9 -34.8 4.3 -16.3 95 105 A G T <<5 + 0 0 33 -3,-1.2 -3,-0.2 -4,-0.7 -4,-0.1 0.572 46.8 177.0 84.1 11.6 -35.7 6.1 -19.5 96 106 A Q < + 0 0 15 -5,-2.2 -1,-0.2 1,-0.1 3,-0.1 -0.196 15.8 165.7 -57.0 132.4 -34.9 3.0 -21.6 97 107 A S + 0 0 111 1,-0.3 2,-0.5 -8,-0.1 -1,-0.1 0.669 63.2 52.3-116.5 -31.6 -35.7 3.5 -25.3 98 108 A V S S- 0 0 25 2,-0.1 2,-1.5 -91,-0.1 -1,-0.3 -0.960 70.9-147.5-115.8 120.6 -33.9 0.5 -27.1 99 109 A Y S S+ 0 0 90 -2,-0.5 2,-0.3 -3,-0.1 -47,-0.2 -0.432 70.7 92.6 -91.8 61.1 -34.7 -3.0 -25.7 100 110 A H S S- 0 0 0 -2,-1.5 -49,-0.3 -51,-0.1 -48,-0.1 -0.899 90.7 -99.2-143.8 122.2 -31.3 -4.6 -26.3 101 111 A V + 0 0 7 -51,-3.2 2,-0.3 -2,-0.3 -49,-0.1 -0.017 53.3 166.7 -45.7 135.4 -28.9 -4.3 -23.3 102 112 A H - 0 0 15 -57,-0.2 2,-0.5 -13,-0.2 -13,-0.4 -0.983 32.1-141.9-156.0 147.6 -26.3 -1.5 -23.6 103 113 A L E -C 44 0A 9 -59,-2.7 -59,-2.2 -2,-0.3 2,-0.3 -0.939 19.8-147.3-106.0 119.5 -23.8 0.5 -21.5 104 114 A H E -CD 43 87A 9 -17,-3.0 -17,-1.9 -2,-0.5 2,-0.4 -0.661 9.0-165.2 -77.6 143.0 -23.5 4.2 -22.1 105 115 A V E -CD 42 86A 0 -63,-2.8 -63,-2.3 -2,-0.3 2,-0.4 -0.982 11.8-179.9-128.4 119.1 -20.1 5.8 -21.6 106 116 A L E +CD 41 85A 0 -21,-2.7 -21,-2.5 -2,-0.4 2,-0.3 -0.958 15.5 125.0-122.0 136.3 -20.1 9.6 -21.4 107 117 A G E +CD 40 84A 0 -67,-2.6 -67,-2.5 -2,-0.4 -23,-0.2 -0.924 24.3 97.5-165.9-168.8 -17.1 12.0 -20.9 108 118 A G S S+ 0 0 40 -25,-0.6 2,-0.3 -2,-0.3 -24,-0.1 0.506 94.0 52.4 84.8 7.9 -15.2 15.0 -22.1 109 119 A R S S- 0 0 63 -26,-0.1 2,-0.4 -69,-0.1 -1,-0.2 -0.963 101.6 -78.6-153.8 168.6 -17.0 17.3 -19.7 110 120 A Q - 0 0 95 -2,-0.3 2,-0.3 -3,-0.1 97,-0.1 -0.560 46.2-142.5 -68.3 122.1 -17.7 17.5 -16.0 111 121 A M - 0 0 4 95,-2.8 2,-0.2 -2,-0.4 118,-0.1 -0.698 18.2-135.5 -84.8 146.4 -20.7 15.2 -15.3 112 122 A H - 0 0 113 117,-2.7 4,-0.1 -2,-0.3 -1,-0.0 -0.530 18.6 -91.5-105.5 163.9 -23.2 16.4 -12.7 113 123 A W S S+ 0 0 94 -2,-0.2 116,-0.1 2,-0.1 95,-0.0 -0.974 100.0 44.3-121.4 135.4 -24.9 14.9 -9.7 114 124 A P S S- 0 0 52 0, 0.0 2,-2.0 0, 0.0 -2,-0.1 0.545 86.6-130.4 -73.3 164.0 -27.6 13.5 -9.5 115 125 A P 0 0 0 0, 0.0 114,-0.1 0, 0.0 -2,-0.1 -0.429 360.0 360.0 -84.1 65.5 -27.2 11.4 -12.7 116 126 A G 0 0 14 -2,-2.0 109,-2.7 108,-0.1 -3,-0.1 0.608 360.0 360.0 81.4 360.0 -30.6 12.5 -14.0 117 !* 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 0.0 118 15 B G 0 0 103 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.2 -5.3 3.4 0.6 119 16 B D - 0 0 90 3,-0.0 2,-0.3 4,-0.0 93,-0.1 -0.376 360.0-165.9 -77.6 157.0 -8.4 2.6 2.7 120 17 B T >> - 0 0 25 -2,-0.1 4,-1.7 91,-0.1 3,-0.6 -0.882 39.7 -99.1-133.3 172.1 -11.8 4.2 2.2 121 18 B I H 3> S+ 0 0 91 -2,-0.3 4,-1.9 1,-0.2 9,-0.1 0.796 123.5 59.4 -62.8 -27.8 -15.1 4.6 4.0 122 19 B F H 3> S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.860 101.8 53.7 -68.9 -32.8 -16.4 1.7 1.8 123 20 B G H <> S+ 0 0 6 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.918 107.8 50.3 -60.9 -44.2 -13.6 -0.5 3.2 124 21 B K H <>S+ 0 0 85 -4,-1.7 5,-2.5 2,-0.2 6,-0.9 0.882 109.6 51.1 -61.5 -39.4 -14.8 0.4 6.7 125 22 B I H ><5S+ 0 0 15 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.950 109.7 49.3 -63.3 -46.7 -18.4 -0.5 5.7 126 23 B I H 3<5S+ 0 0 29 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.878 111.3 49.4 -56.6 -40.9 -17.2 -3.9 4.3 127 24 B R T 3<5S- 0 0 111 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.469 112.5-122.0 -81.1 -1.1 -15.3 -4.6 7.6 128 25 B K T < 5S+ 0 0 110 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.701 74.2 130.5 66.4 24.9 -18.4 -3.6 9.6 129 26 B E S - 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