==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-JAN-02 1KQO . COMPND 2 MOLECULE: NICOTINAMIDE MONONUCLEOTIDE ADENYLYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.ZHOU,O.KURNASOV,D.R.TOMCHICK,D.D.BINNS,N.V.GRISHIN, . 1398 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1070 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 198 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 134 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 204 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 477 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 1.6 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 10 15 2 1 0 9 15 1 11 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 12 6 0 0 0 6 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 6 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 5 A E 0 0 234 0, 0.0 2,-0.2 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0-115.0 -9.0 26.9 37.6 2 6 A K - 0 0 94 35,-0.1 2,-0.7 1,-0.1 35,-0.3 -0.502 360.0-124.8 -77.6 143.3 -7.0 27.4 34.3 3 7 A T E -a 37 0A 57 33,-2.1 35,-1.5 -2,-0.2 2,-0.2 -0.776 20.6-137.0 -89.5 113.4 -6.5 30.9 33.0 4 8 A E E -a 38 0A 88 -2,-0.7 105,-2.6 33,-0.2 2,-0.3 -0.508 29.0-170.0 -68.8 133.0 -7.7 31.3 29.4 5 9 A V E -ab 39 109A 0 33,-2.3 35,-2.3 103,-0.3 36,-0.7 -0.929 20.3-149.4-129.0 151.7 -5.1 33.2 27.5 6 10 A V E -ab 41 110A 2 103,-2.9 105,-2.6 -2,-0.3 2,-0.8 -0.985 19.3-137.5-117.5 127.1 -5.0 34.8 24.0 7 11 A L E -ab 42 111A 0 34,-2.2 36,-2.6 -2,-0.5 2,-0.7 -0.778 18.3-168.3 -90.0 110.8 -1.7 35.0 22.3 8 12 A L E -ab 43 112A 0 103,-2.6 105,-2.5 -2,-0.8 2,-0.7 -0.875 0.8-169.4 -98.8 114.1 -1.2 38.4 20.6 9 13 A A E -a 44 0A 8 34,-2.8 36,-1.8 -2,-0.7 2,-0.4 -0.822 3.2-171.1-108.9 98.3 1.8 38.4 18.3 10 14 A C E +a 45 0A 15 -2,-0.7 2,-0.3 103,-0.4 3,-0.1 -0.689 28.9 119.0 -84.5 134.8 2.7 42.0 17.1 11 15 A G E S-a 46 0A 27 34,-1.2 36,-1.5 -2,-0.4 -2,-0.0 -0.974 70.1 -95.2-172.4-177.6 5.3 42.3 14.3 12 16 A S - 0 0 11 -2,-0.3 4,-0.1 34,-0.2 -1,-0.1 0.897 37.6-161.7 -79.7 -44.4 6.1 43.4 10.8 13 17 A F > - 0 0 16 2,-0.2 3,-0.9 1,-0.2 52,-0.1 0.977 13.3-176.4 55.2 58.7 5.5 40.0 9.1 14 18 A N T 3 S- 0 0 4 1,-0.7 172,-0.2 42,-0.0 -1,-0.2 -0.516 86.6 -11.0-118.2 65.9 7.5 41.2 6.1 15 19 A P T 3 S- 0 0 0 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.545 89.5-126.0-105.9 169.5 6.6 38.6 5.1 16 20 A I < - 0 0 0 -3,-0.9 2,-0.2 46,-0.2 3,-0.0 -0.354 36.7-173.1 -62.9 144.9 5.1 36.1 7.4 17 21 A T > - 0 0 0 182,-0.1 4,-1.1 163,-0.1 3,-0.3 -0.763 42.1 -90.9-131.9 177.3 7.0 32.8 7.2 18 22 A N H > S+ 0 0 11 180,-2.8 4,-3.0 -2,-0.2 3,-0.4 0.889 122.2 63.2 -60.1 -36.6 6.6 29.2 8.6 19 23 A M H > S+ 0 0 35 179,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.905 98.7 51.3 -54.9 -46.9 8.6 30.3 11.6 20 24 A H H > S+ 0 0 30 -3,-0.3 4,-0.7 160,-0.2 -1,-0.2 0.828 114.2 45.3 -61.9 -31.5 6.1 32.9 12.8 21 25 A L H >X S+ 0 0 2 -4,-1.1 4,-1.7 -3,-0.4 3,-0.6 0.873 108.7 55.3 -78.0 -38.7 3.3 30.2 12.6 22 26 A R H 3X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.930 99.4 64.5 -56.2 -44.0 5.6 27.8 14.3 23 27 A L H 3X S+ 0 0 20 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.827 102.4 46.9 -50.0 -41.7 5.9 30.4 17.1 24 28 A F H < S+ 0 0 0 -4,-2.6 6,-0.7 1,-0.2 3,-0.6 0.904 119.6 40.6 -59.6 -43.4 1.1 27.2 27.9 32 36 A N H >< S+ 0 0 51 -4,-2.7 3,-2.1 -5,-0.2 5,-0.2 0.906 109.4 62.1 -71.5 -37.8 -1.4 24.3 27.8 33 37 A G H 3< S+ 0 0 38 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.631 91.1 66.8 -61.1 -17.3 1.4 21.9 28.8 34 38 A T T << S- 0 0 31 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.693 100.8-136.2 -76.6 -19.8 1.9 23.8 32.0 35 39 A G S < S+ 0 0 42 -3,-2.1 -2,-0.1 -4,-0.3 -3,-0.1 0.346 87.9 81.5 83.3 -12.8 -1.5 22.6 33.1 36 40 A R S S+ 0 0 101 -5,-0.4 -33,-2.1 -34,-0.1 2,-0.3 0.425 86.7 54.4-108.0 6.6 -2.5 26.0 34.5 37 41 A Y E -a 3 0A 26 -6,-0.7 2,-0.4 -35,-0.3 -2,-0.2 -0.916 56.6-156.1-133.8 158.9 -3.5 27.7 31.2 38 42 A T E -a 4 0A 51 -35,-1.5 -33,-2.3 -2,-0.3 2,-0.8 -0.947 18.1-145.9-134.6 109.6 -5.8 27.2 28.2 39 43 A V E +a 5 0A 8 -2,-0.4 -33,-0.2 -35,-0.2 3,-0.1 -0.704 22.4 174.4 -80.1 111.2 -4.8 28.9 25.0 40 44 A V E + 0 0 56 -35,-2.3 2,-0.3 -2,-0.8 -34,-0.2 0.664 56.9 1.5 -94.2 -19.0 -8.1 29.9 23.3 41 45 A K E -a 6 0A 56 -36,-0.7 -34,-2.2 2,-0.0 2,-0.4 -0.952 52.8-140.3-169.3 147.1 -6.9 32.0 20.2 42 46 A G E -ac 7 76A 0 33,-2.9 35,-2.3 -2,-0.3 2,-0.4 -0.859 17.5-161.3-110.0 145.8 -3.9 33.3 18.4 43 47 A I E -ac 8 77A 7 -36,-2.6 -34,-2.8 -2,-0.4 2,-0.6 -0.968 6.7-161.1-131.7 118.1 -3.8 36.8 16.9 44 48 A I E -ac 9 78A 0 33,-3.0 35,-2.3 -2,-0.4 -34,-0.2 -0.879 13.9-175.6 -95.3 119.3 -1.4 38.0 14.2 45 49 A S E -a 10 0A 0 -36,-1.8 -34,-1.2 -2,-0.6 35,-0.1 -0.782 10.7-153.9-120.4 91.0 -1.3 41.8 14.2 46 50 A P E -a 11 0A 0 0, 0.0 2,-0.3 0, 0.0 -34,-0.2 -0.267 26.5-106.3 -63.1 148.3 0.9 43.3 11.4 47 51 A V - 0 0 6 -36,-1.5 36,-0.2 1,-0.1 15,-0.1 -0.550 32.2-113.0 -79.3 134.2 2.3 46.7 12.1 48 52 A G > - 0 0 3 34,-0.5 3,-1.2 -2,-0.3 4,-0.2 -0.069 32.4-105.9 -55.9 167.6 0.9 49.8 10.3 49 53 A D G > S+ 0 0 59 34,-0.5 3,-1.5 1,-0.3 -1,-0.1 0.672 110.5 80.7 -74.2 -16.5 3.1 51.5 7.7 50 54 A A G 3 S+ 0 0 24 35,-0.5 38,-0.3 1,-0.3 -1,-0.3 0.671 73.5 80.2 -62.8 -14.2 3.7 54.4 10.1 51 55 A Y G < S- 0 0 49 -3,-1.2 176,-3.0 1,-0.1 -1,-0.3 0.893 82.7-157.9 -59.4 -39.5 6.3 52.1 11.7 52 56 A K < + 0 0 87 -3,-1.5 172,-0.1 1,-0.2 -1,-0.1 0.613 21.6 171.3 72.4 14.1 8.7 53.1 8.9 53 57 A K > - 0 0 83 1,-0.1 3,-1.9 2,-0.1 -1,-0.2 -0.277 45.0 -96.1 -56.7 140.4 10.9 50.0 9.3 54 58 A K T 3 S+ 0 0 103 1,-0.3 167,-0.2 167,-0.1 -1,-0.1 -0.379 109.4 12.9 -59.5 131.6 13.4 49.7 6.4 55 59 A G T 3 S+ 0 0 0 165,-2.2 2,-0.7 1,-0.2 -1,-0.3 0.328 85.9 150.3 83.6 -6.0 12.1 47.4 3.7 56 60 A L < - 0 0 1 -3,-1.9 -1,-0.2 164,-0.3 3,-0.1 -0.410 32.6-155.7 -63.7 103.5 8.6 47.4 5.1 57 61 A I - 0 0 4 -2,-0.7 5,-0.1 1,-0.2 156,-0.0 -0.309 43.4 -53.8 -75.1 168.9 6.2 46.9 2.1 58 62 A P >> - 0 0 41 0, 0.0 4,-1.6 0, 0.0 3,-0.6 -0.056 45.0-129.7 -45.5 136.5 2.5 48.1 2.3 59 63 A A H 3> S+ 0 0 5 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.881 103.2 62.9 -53.1 -48.5 0.5 46.9 5.2 60 64 A Y H 3> S+ 0 0 177 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 106.0 45.9 -48.7 -45.3 -2.4 45.7 3.1 61 65 A H H <> S+ 0 0 52 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.924 113.1 48.6 -65.0 -45.5 -0.2 43.2 1.4 62 66 A R H X S+ 0 0 1 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.881 112.0 50.8 -63.6 -35.7 1.3 42.0 4.7 63 67 A V H X S+ 0 0 9 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.938 110.1 49.0 -67.0 -44.7 -2.2 41.7 6.1 64 68 A I H X S+ 0 0 36 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.914 109.4 52.6 -59.3 -43.1 -3.3 39.7 3.0 65 69 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.868 108.0 51.1 -62.7 -34.4 -0.3 37.4 3.4 66 70 A A H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.870 110.2 48.6 -69.8 -35.4 -1.2 36.7 7.1 67 71 A E H < S+ 0 0 97 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.892 112.0 49.8 -70.9 -38.9 -4.7 35.8 6.2 68 72 A L H >< S+ 0 0 43 -4,-2.4 3,-1.3 1,-0.2 4,-0.4 0.952 109.9 50.3 -62.2 -50.2 -3.5 33.5 3.5 69 73 A A H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.774 117.7 40.7 -60.3 -25.9 -1.1 31.9 5.9 70 74 A T T >< S+ 0 0 12 -4,-1.2 3,-1.9 1,-0.2 -1,-0.2 0.291 77.8 105.2-109.9 11.7 -3.9 31.4 8.4 71 75 A K T < S+ 0 0 147 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.1 0.899 90.8 42.5 -53.0 -43.1 -6.8 30.3 6.1 72 76 A N T 3 S+ 0 0 101 -4,-0.4 2,-0.5 -3,-0.2 -1,-0.3 -0.052 90.5 106.6 -96.9 28.7 -6.2 26.8 7.4 73 77 A S < - 0 0 18 -3,-1.9 -3,-0.0 3,-0.2 -4,-0.0 -0.955 52.2-161.4-112.7 129.5 -5.7 27.6 11.1 74 78 A K S S+ 0 0 129 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.565 91.1 17.9 -80.5 -14.5 -8.6 26.8 13.4 75 79 A W S S+ 0 0 23 1,-0.1 -33,-2.9 -34,-0.1 2,-0.6 0.530 105.2 83.4-135.1 -16.1 -7.4 29.1 16.2 76 80 A V E +c 42 0A 7 -35,-0.2 2,-0.3 -6,-0.1 -3,-0.2 -0.871 53.7 167.1-100.3 121.9 -4.9 31.7 14.7 77 81 A E E -c 43 0A 84 -35,-2.3 -33,-3.0 -2,-0.6 2,-0.3 -0.835 32.3-113.0-128.4 164.2 -6.5 34.7 13.0 78 82 A V E -c 44 0A 22 -2,-0.3 2,-0.4 -35,-0.2 -33,-0.2 -0.732 19.6-161.4 -99.9 146.2 -5.3 38.1 11.7 79 83 A D - 0 0 17 -35,-2.3 3,-0.4 -2,-0.3 4,-0.2 -0.975 3.3-167.0-130.8 117.9 -6.4 41.5 13.3 80 84 A T >> + 0 0 51 -2,-0.4 4,-1.1 1,-0.2 3,-0.7 0.513 58.4 103.8 -81.8 -11.2 -5.9 44.6 11.1 81 85 A W H >> S+ 0 0 63 1,-0.3 3,-1.0 2,-0.2 4,-0.7 0.866 84.5 47.5 -40.5 -52.2 -6.4 47.3 13.8 82 86 A E H >4 S+ 0 0 7 -3,-0.4 3,-1.0 1,-0.2 -34,-0.5 0.894 107.1 56.2 -59.9 -40.5 -2.7 48.1 14.0 83 87 A S H <4 S+ 0 0 16 -3,-0.7 -34,-0.5 -4,-0.2 -1,-0.2 0.676 105.6 54.2 -66.6 -15.4 -2.3 48.2 10.2 84 88 A L H << S+ 0 0 123 -4,-1.1 2,-0.3 -3,-1.0 -1,-0.2 0.557 79.1 109.2 -94.6 -14.1 -5.0 50.9 10.0 85 89 A Q << - 0 0 44 -3,-1.0 -35,-0.5 -4,-0.7 -36,-0.1 -0.492 55.4-155.5 -69.4 128.9 -3.6 53.4 12.5 86 90 A K S S+ 0 0 193 -2,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.842 87.3 56.1 -70.3 -34.4 -2.2 56.6 10.8 87 91 A E S S- 0 0 114 1,-0.1 -39,-0.1 -3,-0.0 -36,-0.1 -0.839 103.6-107.0 -97.9 134.0 0.0 57.0 13.8 88 92 A W - 0 0 27 -2,-0.4 2,-0.4 -38,-0.3 -2,-0.1 -0.316 40.7-135.4 -55.5 141.7 2.4 54.1 14.7 89 93 A K - 0 0 50 -7,-0.1 2,-0.2 -4,-0.1 -41,-0.1 -0.902 7.4-120.5-112.2 135.9 1.0 52.5 17.8 90 94 A E >> - 0 0 13 -2,-0.4 4,-1.8 1,-0.1 3,-1.3 -0.491 24.1-123.7 -70.0 134.7 3.0 51.4 20.9 91 95 A T H 3> S+ 0 0 18 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.826 112.3 60.5 -50.2 -37.1 2.7 47.7 21.6 92 96 A L H 3> S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.934 106.8 47.5 -55.4 -44.2 1.5 48.5 25.1 93 97 A K H <> S+ 0 0 75 -3,-1.3 4,-3.0 2,-0.2 -2,-0.2 0.915 107.3 53.8 -63.7 -45.4 -1.5 50.3 23.4 94 98 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.907 110.2 50.3 -55.2 -40.1 -2.2 47.4 21.0 95 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.877 108.9 49.4 -64.8 -41.6 -2.4 45.1 24.1 96 100 A R H X S+ 0 0 79 -4,-1.9 4,-3.7 2,-0.2 5,-0.4 0.940 109.9 53.8 -63.1 -45.4 -4.8 47.5 25.9 97 101 A H H X S+ 0 0 44 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.949 113.7 40.0 -54.0 -54.5 -6.9 47.5 22.8 98 102 A H H X S+ 0 0 6 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.916 116.3 49.7 -65.1 -40.1 -7.2 43.8 22.6 99 103 A Q H X S+ 0 0 28 -4,-2.9 4,-0.7 2,-0.2 -2,-0.2 0.957 116.0 43.3 -62.6 -47.4 -7.6 43.3 26.3 100 104 A E H >< S+ 0 0 119 -4,-3.7 3,-0.8 1,-0.2 -2,-0.2 0.883 112.6 53.9 -64.7 -37.4 -10.3 46.0 26.3 101 105 A K H 3< S+ 0 0 109 -4,-3.0 -2,-0.2 -5,-0.4 -1,-0.2 0.934 100.6 59.6 -62.7 -44.0 -11.8 44.5 23.2 102 106 A L H 3< S+ 0 0 45 -4,-2.9 2,-1.4 1,-0.2 -1,-0.2 0.711 89.0 79.1 -57.8 -20.7 -12.0 41.0 24.8 103 107 A E << 0 0 108 -3,-0.8 -1,-0.2 -4,-0.7 4,-0.0 -0.705 360.0 360.0 -92.7 84.5 -14.2 42.6 27.4 104 108 A A 0 0 136 -2,-1.4 -3,-0.0 0, 0.0 0, 0.0 -0.964 360.0 360.0 168.6 360.0 -17.4 42.6 25.4 105 ! 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 0.0 106 147 A A 0 0 143 0, 0.0 -102,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.7 -13.9 35.4 33.5 107 148 A V - 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