==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDE-BINDING PROTEIN 26-FEB-97 4RHN . COMPND 2 MOLECULE: HISTIDINE TRIAD NUCLEOTIDE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR C.BRENNER,P.GARRISON,J.GILMOUR,D.PEISACH,D.RINGE,G.A.PETSKO, . 115 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 55.7 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 . 22 19.1 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 . 7 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 18.3 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 12 A R 0 0 93 0, 0.0 2,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -3.1 21.8 4.0 20.2 2 13 A P + 0 0 107 0, 0.0 45,-0.1 0, 0.0 11,-0.0 0.468 360.0 23.9 -80.7 152.8 23.9 3.9 17.8 3 14 A G S S- 0 0 8 43,-0.2 3,-0.2 -2,-0.1 9,-0.2 0.323 115.7 -86.8 108.8 -6.8 24.2 7.6 16.7 4 15 A G - 0 0 4 1,-0.1 95,-0.1 5,-0.1 8,-0.0 -0.178 36.6 -90.2 95.3 171.8 23.1 9.3 19.9 5 16 A D S S+ 0 0 146 4,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.294 92.4 92.4-106.9 7.2 19.8 10.4 21.3 6 17 A T S >> S- 0 0 32 -3,-0.2 4,-1.0 92,-0.1 3,-1.0 -0.314 99.5 -89.4 -89.1-180.0 19.6 13.9 19.8 7 18 A I H 3> S+ 0 0 90 1,-0.3 4,-2.0 2,-0.2 3,-0.1 0.806 128.2 65.0 -60.3 -28.2 17.9 14.7 16.4 8 19 A F H 3> S+ 0 0 7 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.880 96.8 55.5 -61.9 -35.3 21.3 14.0 14.8 9 20 A G H <> S+ 0 0 0 -3,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.853 106.4 50.2 -64.6 -35.7 20.9 10.4 16.0 10 21 A K H <>S+ 0 0 94 -4,-1.0 5,-3.1 2,-0.2 6,-1.0 0.872 111.6 48.4 -69.8 -36.7 17.6 10.3 14.1 11 22 A I H ><5S+ 0 0 14 -4,-2.0 3,-1.2 3,-0.2 -2,-0.2 0.945 110.5 50.2 -66.8 -47.7 19.3 11.7 11.0 12 23 A I H 3<5S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.894 114.5 44.2 -58.1 -41.8 22.2 9.2 11.2 13 24 A R T 3<5S- 0 0 75 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.482 113.1-121.0 -83.3 -0.7 19.7 6.3 11.6 14 25 A K T < 5S+ 0 0 105 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.823 72.6 132.3 62.9 37.9 17.5 7.7 8.8 15 26 A E S - 0 0 66 47,-0.1 3,-1.1 49,-0.1 -1,-0.2 -0.972 66.1-114.5-151.7 157.0 30.5 18.5 23.5 52 63 A I G > S+ 0 0 65 -2,-0.3 3,-1.2 1,-0.3 37,-0.1 0.800 115.5 63.5 -67.3 -25.6 34.0 19.4 22.2 53 64 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.0 36,-0.0 0.770 103.6 48.4 -69.7 -24.5 35.0 19.8 25.9 54 65 A A G < S+ 0 0 54 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.347 82.4 117.6 -95.7 0.1 34.3 16.1 26.5 55 66 A A < - 0 0 24 -3,-1.2 2,-0.2 -4,-0.2 -6,-0.0 -0.510 58.1-138.1 -68.3 141.3 36.2 14.8 23.5 56 67 A E > - 0 0 123 -2,-0.2 3,-1.8 1,-0.1 4,-0.1 -0.481 24.6-100.9 -95.6 172.2 39.1 12.6 24.5 57 68 A D G > S+ 0 0 148 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.862 121.6 59.3 -58.5 -35.2 42.7 12.4 23.1 58 69 A A G 3 S+ 0 0 89 1,-0.3 3,-0.4 2,-0.1 4,-0.3 0.582 92.8 67.2 -70.5 -12.6 41.7 9.3 21.1 59 70 A D G <> S+ 0 0 6 -3,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.379 71.7 102.8 -87.5 2.2 39.0 11.4 19.2 60 71 A E H <> S+ 0 0 143 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.883 80.1 43.1 -49.9 -53.5 41.7 13.4 17.6 61 72 A S H > S+ 0 0 95 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.919 113.3 52.6 -62.2 -47.8 41.6 11.7 14.2 62 73 A L H > S+ 0 0 19 -4,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.880 110.8 47.2 -55.2 -44.4 37.8 11.7 14.1 63 74 A L H X S+ 0 0 43 -4,-2.5 4,-0.9 1,-0.2 3,-0.4 0.919 112.9 48.5 -66.6 -42.5 37.7 15.4 14.8 64 75 A G H X S+ 0 0 33 -4,-2.2 4,-1.6 -5,-0.2 3,-0.5 0.871 106.2 59.6 -63.5 -33.8 40.3 16.1 12.2 65 76 A H H X S+ 0 0 43 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.828 97.2 58.6 -65.0 -33.0 38.3 13.9 9.8 66 77 A L H X S+ 0 0 6 -4,-1.3 4,-1.5 -3,-0.4 -1,-0.2 0.838 107.7 47.4 -64.4 -35.7 35.2 16.2 10.1 67 78 A M H X S+ 0 0 104 -4,-0.9 4,-2.2 -3,-0.5 -2,-0.2 0.825 110.8 50.2 -73.6 -35.1 37.4 19.1 8.8 68 79 A I H X S+ 0 0 78 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.944 114.0 45.1 -67.4 -47.7 38.8 17.1 5.9 69 80 A V H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.882 111.8 55.3 -62.2 -38.0 35.3 16.0 4.9 70 81 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.932 108.6 44.5 -61.7 -46.9 34.2 19.6 5.4 71 82 A K H X S+ 0 0 101 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.868 113.7 51.9 -68.1 -33.3 36.7 21.0 3.0 72 83 A K H X S+ 0 0 129 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.927 112.1 45.0 -67.0 -43.6 36.0 18.3 0.5 73 84 A C H X S+ 0 0 7 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.856 110.1 55.5 -68.2 -34.8 32.3 19.0 0.6 74 85 A A H <>S+ 0 0 0 -4,-2.2 5,-2.9 -5,-0.2 -1,-0.2 0.891 109.1 46.5 -64.0 -41.4 32.8 22.7 0.4 75 86 A A H ><5S+ 0 0 42 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.900 112.0 51.6 -66.5 -39.0 34.9 22.3 -2.8 76 87 A D H 3<5S+ 0 0 133 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.760 107.4 52.6 -68.9 -27.9 32.2 20.0 -4.2 77 88 A L T 3<5S- 0 0 60 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.313 122.4-107.2 -91.0 9.3 29.5 22.6 -3.4 78 89 A G T < 5 + 0 0 55 -3,-1.3 2,-1.5 1,-0.1 3,-0.3 0.732 66.7 149.2 75.2 27.1 31.5 25.2 -5.3 79 90 A L > < + 0 0 13 -5,-2.9 3,-1.0 1,-0.2 -1,-0.1 -0.405 14.7 143.9 -90.3 62.4 32.8 27.4 -2.5 80 91 A K T 3 + 0 0 168 -2,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.616 63.0 58.6 -76.0 -16.4 36.0 28.3 -4.3 81 92 A K T 3 S- 0 0 224 1,-0.3 -1,-0.2 -3,-0.3 2,-0.1 0.389 118.6 -88.4 -92.2 3.0 36.2 31.9 -2.9 82 93 A G < - 0 0 38 -3,-1.0 25,-0.6 -8,-0.1 -1,-0.3 -0.469 39.0-149.5 120.5 171.6 36.3 30.6 0.7 83 94 A Y E -D 106 0A 94 23,-0.2 2,-0.4 -2,-0.1 23,-0.2 -0.965 17.2-116.1-166.7 176.9 34.3 29.6 3.7 84 95 A R E -D 105 0A 56 21,-2.3 21,-2.3 -2,-0.3 2,-0.4 -0.991 16.0-152.7-133.0 136.1 34.3 29.5 7.5 85 96 A M E -D 104 0A 52 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.900 18.9-172.8-105.5 139.9 34.2 26.4 9.7 86 97 A V E -D 103 0A 41 17,-2.2 17,-3.2 -2,-0.4 2,-0.4 -0.997 18.8-171.2-142.3 136.4 32.7 26.8 13.2 87 98 A V - 0 0 70 -2,-0.4 2,-0.4 15,-0.2 15,-0.1 -0.998 16.6-155.1-124.2 122.2 32.4 24.6 16.3 88 99 A N - 0 0 44 13,-0.5 2,-0.5 -2,-0.4 -36,-0.2 -0.879 7.1-166.8-100.3 134.2 30.1 25.9 19.1 89 100 A E > - 0 0 59 -2,-0.4 4,-1.1 -38,-0.1 5,-0.2 -0.977 46.3 -37.2-125.9 122.2 30.7 24.8 22.7 90 101 A G H >>S- 0 0 18 -2,-0.5 5,-2.6 3,-0.2 4,-0.8 0.095 94.6 -41.7 66.7-170.7 28.2 25.4 25.5 91 102 A S H >45S+ 0 0 116 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.915 136.0 47.1 -58.5 -53.9 25.9 28.2 26.3 92 103 A D H 345S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.791 112.9 50.2 -62.1 -32.7 28.4 31.0 25.6 93 104 A G H 3<5S- 0 0 33 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.604 114.1-117.0 -81.7 -11.9 29.3 29.4 22.3 94 105 A G T <<5 + 0 0 45 -4,-0.8 2,-0.5 -3,-0.8 -3,-0.2 0.704 47.6 172.6 84.1 22.5 25.7 29.0 21.2 95 106 A Q < + 0 0 11 -5,-2.6 -1,-0.2 1,-0.2 3,-0.1 -0.515 7.3 172.8 -68.4 116.1 25.7 25.2 21.1 96 107 A S + 0 0 97 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.730 63.0 48.9 -97.1 -25.3 22.1 24.1 20.5 97 108 A V S S- 0 0 24 2,-0.2 2,-1.9 -91,-0.1 -1,-0.2 -0.972 75.3-137.9-120.6 127.9 22.5 20.4 19.9 98 109 A Y S S+ 0 0 145 -2,-0.5 2,-0.3 -3,-0.1 -47,-0.1 -0.370 78.8 88.0 -84.4 60.5 24.5 18.3 22.4 99 110 A H S S- 0 0 0 -2,-1.9 -49,-0.2 -51,-0.1 -2,-0.2 -0.920 93.2-100.0-151.5 125.4 26.3 16.2 19.7 100 111 A V + 0 0 5 -51,-3.0 2,-0.3 -2,-0.3 -51,-0.1 -0.304 51.2 174.1 -55.2 128.5 29.5 17.6 18.3 101 112 A H - 0 0 7 -13,-0.2 2,-0.5 -57,-0.2 -13,-0.5 -0.999 26.4-143.4-142.0 143.3 28.9 19.3 14.9 102 113 A L E -C 43 0A 7 -59,-2.4 -59,-2.0 -2,-0.3 2,-0.3 -0.927 16.6-149.4-107.5 122.5 31.1 21.4 12.5 103 114 A H E -CD 42 86A 25 -17,-3.2 -17,-2.2 -2,-0.5 2,-0.4 -0.692 10.0-169.1 -87.9 142.6 29.4 24.3 10.7 104 115 A V E +CD 41 85A 0 -63,-2.1 -63,-2.2 -2,-0.3 2,-0.4 -0.990 11.0 175.6-134.0 118.6 30.6 25.2 7.2 105 116 A L E +CD 40 84A 15 -21,-2.3 -21,-2.3 -2,-0.4 2,-0.3 -0.994 13.2 129.7-127.2 141.4 29.3 28.4 5.7 106 117 A G E +CD 39 83A 0 -67,-2.4 -67,-2.0 -2,-0.4 -23,-0.2 -0.920 27.0 97.6-166.9-172.5 30.2 30.2 2.5 107 118 A G S S+ 0 0 50 -25,-0.6 2,-0.3 -2,-0.3 -24,-0.1 0.513 93.4 50.9 92.3 1.6 28.7 31.8 -0.6 108 119 A R S S- 0 0 105 -26,-0.2 2,-0.3 -69,-0.1 -1,-0.3 -0.966 100.8 -78.6-159.1 166.0 29.0 35.2 0.9 109 120 A Q - 0 0 156 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.602 44.8-143.7 -73.8 127.3 31.5 37.4 2.6 110 121 A M - 0 0 25 -2,-0.3 2,-0.1 -5,-0.1 -73,-0.0 -0.816 18.3-141.9 -93.4 135.6 31.9 36.4 6.2 111 122 A N - 0 0 111 -2,-0.4 -1,-0.0 2,-0.1 0, 0.0 -0.401 17.8 -88.5 -94.3 173.5 32.4 39.3 8.6 112 123 A W S S+ 0 0 196 -2,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.999 98.4 47.4-133.8 137.1 34.5 39.7 11.7 113 124 A P S S- 0 0 99 0, 0.0 2,-2.0 0, 0.0 -2,-0.1 0.407 86.1-129.7 -61.7 159.6 34.0 39.2 14.7 114 125 A P 0 0 79 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.292 360.0 360.0 -82.4 55.9 32.7 35.7 14.1 115 126 A G 0 0 124 -2,-2.0 0, 0.0 0, 0.0 0, 0.0 -0.640 360.0 360.0 98.7 360.0 29.7 36.6 16.3