==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JAN-08 3C2V . COMPND 2 MOLECULE: NICOTINATE-NUCLEOTIDE PYROPHOSPHORYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR E.DI LUCCIO,D.K.WILSON . 270 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 8.9 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 . 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 . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 0 1 0 0 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 4 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 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 2 A P 0 0 183 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.9 -25.8 -7.3 14.4 2 3 A V > - 0 0 73 1,-0.1 3,-2.3 2,-0.0 4,-0.2 -0.950 360.0-148.7-118.2 121.0 -22.4 -8.6 15.4 3 4 A Y G > S+ 0 0 107 -2,-0.5 3,-3.1 1,-0.3 4,-0.3 0.873 95.8 64.8 -49.9 -47.4 -21.6 -9.4 19.0 4 5 A E G > S+ 0 0 81 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.601 85.5 77.2 -57.4 -7.6 -17.9 -8.5 18.7 5 6 A H G < S+ 0 0 139 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.631 76.6 73.8 -77.9 -9.9 -19.2 -5.0 18.1 6 7 A L G < S+ 0 0 107 -3,-3.1 -1,-0.2 -4,-0.2 -2,-0.2 0.760 81.9 86.5 -70.1 -24.1 -19.8 -4.7 21.8 7 8 A L S < S- 0 0 21 -3,-0.9 4,-0.0 -4,-0.3 -1,-0.0 -0.663 88.0-119.9 -83.1 121.0 -16.1 -4.4 22.2 8 9 A P - 0 0 71 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.311 24.4-117.3 -58.6 137.7 -14.7 -0.8 21.8 9 10 A V S S+ 0 0 132 1,-0.1 2,-0.3 -4,-0.1 -2,-0.0 0.858 102.1 13.9 -44.8 -39.6 -12.2 -0.6 18.9 10 11 A N S S+ 0 0 104 4,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.993 86.2 104.4-138.3 149.8 -9.7 0.2 21.6 11 12 A G S >> S- 0 0 33 -2,-0.3 3,-1.4 1,-0.1 4,-0.6 -0.962 79.9 -51.7 168.2-172.0 -9.7 -0.0 25.4 12 13 A A H >> S+ 0 0 62 -2,-0.3 4,-1.9 1,-0.3 3,-0.6 0.751 115.8 74.9 -62.1 -29.3 -8.4 -2.1 28.3 13 14 A W H 3> S+ 0 0 20 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.792 96.3 51.9 -57.9 -23.4 -9.5 -5.5 26.9 14 15 A R H <> S+ 0 0 82 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.833 105.2 52.1 -82.3 -29.7 -6.6 -5.2 24.4 15 16 A Q H X S+ 0 0 43 -4,-1.7 4,-2.1 1,-0.2 3,-1.2 0.969 110.2 51.3 -55.7 -53.3 -0.9 -8.2 25.8 19 20 A N H 3X S+ 0 0 80 -4,-3.3 4,-1.9 1,-0.3 -1,-0.2 0.842 106.9 55.1 -53.5 -35.7 -0.7 -9.0 29.6 20 21 A W H 3X S+ 0 0 44 -4,-2.2 4,-0.6 2,-0.2 -1,-0.3 0.803 106.4 50.0 -69.0 -29.3 -1.7 -12.5 28.8 21 22 A L H XX S+ 0 0 22 -4,-1.6 4,-1.2 -3,-1.2 3,-0.7 0.878 109.8 51.1 -74.1 -37.1 1.2 -12.9 26.4 22 23 A S H 3< S+ 0 0 66 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.878 102.3 61.2 -64.7 -37.2 3.6 -11.5 29.0 23 24 A E H 3< S+ 0 0 161 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.781 109.1 43.0 -59.7 -25.9 2.2 -14.1 31.4 24 25 A D H << S+ 0 0 84 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.687 123.7 34.2 -95.3 -18.9 3.5 -16.7 29.0 25 26 A V < + 0 0 37 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.1 -0.630 58.5 162.9-136.8 77.1 6.8 -15.2 28.3 26 27 A P S S- 0 0 120 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.890 85.2 -8.5 -63.1 -36.4 8.3 -13.3 31.3 27 28 A S S S+ 0 0 76 1,-0.3 2,-0.3 -5,-0.0 -2,-0.1 0.716 122.7 1.6-132.7 -34.7 11.8 -13.3 29.7 28 29 A F - 0 0 153 4,-0.0 2,-0.7 5,-0.0 -1,-0.3 -0.999 45.1-140.5-160.0 145.5 12.6 -15.3 26.6 29 30 A D + 0 0 66 -2,-0.3 4,-0.4 1,-0.2 -4,-0.1 -0.970 22.8 179.2-106.2 116.1 10.8 -17.5 24.1 30 31 A F S > S+ 0 0 145 -2,-0.7 4,-2.3 2,-0.1 5,-0.2 0.787 77.4 59.3 -76.1 -42.1 13.4 -20.2 23.4 31 32 A G H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.847 103.1 50.5 -59.5 -37.5 11.0 -22.0 21.0 32 33 A G H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 67,-0.3 0.880 107.9 54.1 -68.7 -37.7 10.7 -19.0 18.7 33 34 A Y H 4 S+ 0 0 203 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.970 113.5 41.4 -58.8 -54.1 14.5 -18.7 18.6 34 35 A V H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.859 118.4 46.8 -63.0 -36.9 14.9 -22.3 17.5 35 36 A V H < S- 0 0 55 -4,-2.3 3,-0.4 -5,-0.2 -2,-0.2 0.857 94.9-159.9 -77.9 -35.7 12.0 -22.2 15.1 36 37 A G < - 0 0 26 -4,-3.1 63,-2.6 1,-0.2 64,-0.1 -0.164 31.9 -70.3 85.1 179.6 12.8 -18.9 13.4 37 38 A S S S+ 0 0 76 61,-0.2 -1,-0.2 60,-0.2 3,-0.1 0.262 72.9 138.9 -99.4 9.3 10.7 -16.5 11.3 38 39 A D - 0 0 115 -3,-0.4 60,-2.6 59,-0.2 2,-0.2 -0.262 61.9-105.0 -55.7 141.6 10.0 -18.5 8.2 39 40 A L E +A 97 0A 136 58,-0.2 2,-0.3 59,-0.1 -1,-0.1 -0.463 48.8 171.6 -69.4 138.1 6.4 -18.1 7.0 40 41 A K E -A 96 0A 81 56,-2.1 56,-1.7 -2,-0.2 2,-0.3 -0.902 25.9-130.6-141.1 168.4 4.3 -21.1 7.7 41 42 A E E -A 95 0A 129 -2,-0.3 231,-2.9 54,-0.2 2,-0.3 -0.880 25.6-177.6-120.8 153.2 0.6 -22.0 7.4 42 43 A A E -AB 94 271A 3 52,-2.1 52,-2.8 -2,-0.3 2,-0.4 -0.998 21.4-133.3-153.0 154.4 -1.5 -23.6 10.1 43 44 A N E -AB 93 270A 56 227,-2.2 227,-1.7 -2,-0.3 2,-0.7 -0.896 13.2-146.3-110.6 136.3 -5.0 -24.9 10.8 44 45 A L E -AB 92 269A 0 48,-2.5 47,-3.0 -2,-0.4 48,-1.0 -0.903 25.1-159.9-100.9 115.3 -6.9 -24.1 14.0 45 46 A Y E -AB 90 268A 39 223,-2.5 223,-2.7 -2,-0.7 2,-0.5 -0.800 19.1-149.8-104.7 141.6 -9.0 -27.1 14.9 46 47 A C E -AB 89 267A 1 43,-2.5 43,-2.1 -2,-0.4 221,-0.3 -0.878 15.5-171.7 -97.8 132.8 -12.1 -27.4 17.1 47 48 A K + 0 0 107 219,-3.8 2,-0.3 -2,-0.5 220,-0.2 0.268 58.5 46.8-114.6 13.9 -11.9 -30.9 18.6 48 49 A Q S S- 0 0 73 218,-0.5 2,-0.3 41,-0.1 31,-0.1 -0.993 89.4 -93.0-152.0 152.2 -15.3 -31.2 20.3 49 50 A D S S+ 0 0 60 -2,-0.3 2,-0.3 31,-0.2 31,-0.2 -0.498 75.3 97.4 -66.4 123.2 -19.0 -30.5 19.5 50 51 A G E S-D 79 0B 1 29,-2.4 29,-3.7 -2,-0.3 2,-0.5 -0.982 72.5 -61.4 174.5 178.6 -19.9 -27.0 20.7 51 52 A M E -D 78 0B 9 65,-0.5 2,-0.4 -2,-0.3 69,-0.4 -0.757 46.5-122.8 -93.1 127.2 -20.4 -23.4 20.0 52 53 A L + 0 0 0 25,-2.5 24,-2.6 -2,-0.5 2,-0.4 -0.491 43.7 163.8 -66.7 113.9 -17.5 -21.3 18.7 53 54 A C + 0 0 0 -2,-0.4 63,-0.6 59,-0.3 62,-0.2 -0.996 42.5 45.1-140.4 145.1 -16.9 -18.3 21.0 54 55 A G >> + 0 0 0 -2,-0.4 4,-2.7 61,-0.2 3,-0.5 0.468 59.5 145.0 107.8 8.3 -14.1 -15.8 21.6 55 56 A V H 3> S+ 0 0 13 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.875 72.5 43.2 -45.7 -56.9 -13.3 -15.0 18.0 56 57 A P H 3> S+ 0 0 9 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.860 114.5 52.5 -63.4 -30.3 -12.4 -11.3 18.4 57 58 A F H <> S+ 0 0 4 -3,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.939 113.1 42.4 -69.4 -44.9 -10.4 -12.1 21.5 58 59 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.2 0.875 111.4 57.7 -66.6 -35.9 -8.4 -14.8 19.7 59 60 A Q H X S+ 0 0 43 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.900 101.9 54.6 -60.1 -40.7 -8.2 -12.4 16.8 60 61 A E H X S+ 0 0 13 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.843 107.0 51.0 -62.6 -32.6 -6.6 -9.8 19.0 61 62 A V H X S+ 0 0 0 -4,-1.2 4,-1.0 -3,-0.2 -1,-0.2 0.913 110.8 49.0 -70.8 -39.9 -3.9 -12.4 20.0 62 63 A F H <>S+ 0 0 2 -4,-2.2 5,-2.0 1,-0.2 -2,-0.2 0.840 111.4 49.1 -68.6 -33.5 -3.3 -13.0 16.3 63 64 A N H ><5S+ 0 0 75 -4,-2.4 3,-2.1 3,-0.2 -2,-0.2 0.935 110.1 48.4 -71.8 -46.0 -3.0 -9.3 15.5 64 65 A Q H 3<5S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.713 112.1 51.8 -66.4 -19.2 -0.5 -8.5 18.3 65 66 A C T 3<5S- 0 0 5 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.219 116.0-123.5 -98.5 11.6 1.4 -11.6 17.1 66 67 A E T < 5 + 0 0 154 -3,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.906 58.2 144.1 44.2 64.0 1.3 -10.1 13.6 67 68 A L < - 0 0 8 -5,-2.0 2,-0.5 29,-0.1 29,-0.2 -0.828 50.6-121.2-125.5 162.7 -0.3 -13.0 11.8 68 69 A Q E -C 95 0A 144 27,-3.1 27,-3.1 -2,-0.3 2,-0.4 -0.927 34.9-178.0-107.6 123.5 -2.8 -13.3 8.9 69 70 A V E -C 94 0A 28 -2,-0.5 2,-0.5 25,-0.2 25,-0.2 -0.967 17.6-167.6-128.5 141.3 -5.9 -15.2 9.8 70 71 A E E -C 93 0A 105 23,-2.4 23,-2.8 -2,-0.4 2,-0.4 -0.979 17.3-146.3-128.3 115.3 -9.0 -16.3 7.8 71 72 A W E -C 92 0A 51 -2,-0.5 21,-0.3 21,-0.2 20,-0.1 -0.666 8.5-164.7 -85.2 135.2 -11.9 -17.6 9.8 72 73 A L S S+ 0 0 65 19,-2.6 2,-0.3 -2,-0.4 20,-0.2 0.526 74.6 39.4 -93.5 -9.1 -14.1 -20.3 8.2 73 74 A F S S- 0 0 79 18,-0.8 2,-0.2 4,-0.0 3,-0.1 -0.975 81.5-116.0-139.9 152.6 -17.0 -19.9 10.5 74 75 A K > - 0 0 170 -2,-0.3 3,-2.1 1,-0.1 -22,-0.2 -0.577 46.0 -90.4 -86.6 152.4 -18.8 -17.0 12.2 75 76 A E T 3 S+ 0 0 39 1,-0.3 -22,-0.2 -2,-0.2 -1,-0.1 -0.338 115.5 36.5 -59.5 141.4 -18.8 -16.6 15.9 76 77 A G T 3 S+ 0 0 28 -24,-2.6 -1,-0.3 1,-0.4 -23,-0.1 0.071 81.8 140.1 102.6 -23.7 -21.8 -18.4 17.4 77 78 A S < - 0 0 39 -3,-2.1 -25,-2.5 -25,-0.1 2,-0.5 -0.229 53.7-126.3 -55.2 138.5 -21.7 -21.2 14.9 78 79 A F E -D 51 0B 102 -27,-0.2 2,-0.4 -3,-0.1 -27,-0.3 -0.784 26.8-155.7 -89.3 126.5 -22.4 -24.6 16.4 79 80 A L E -D 50 0B 4 -29,-3.7 -29,-2.4 -2,-0.5 3,-0.1 -0.872 17.9-176.7-109.7 138.2 -19.6 -27.1 15.6 80 81 A E > + 0 0 72 -2,-0.4 3,-1.5 -31,-0.2 -31,-0.2 -0.443 14.3 162.1-129.4 62.2 -19.9 -30.9 15.4 81 82 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 3,-0.3 0.706 72.4 71.9 -52.9 -20.3 -16.5 -32.4 14.7 82 83 A S T 3 S+ 0 0 75 1,-0.3 2,-2.5 5,-0.1 6,-0.1 0.936 89.3 58.8 -61.4 -45.1 -17.8 -35.7 16.0 83 84 A K S < S+ 0 0 153 -3,-1.5 -1,-0.3 4,-0.1 2,-0.2 -0.561 96.7 90.3 -87.1 68.4 -19.9 -36.0 12.9 84 85 A N S S- 0 0 63 -2,-2.5 3,-0.2 -3,-0.3 5,-0.0 -0.825 80.5-131.1-158.5 138.2 -16.6 -35.8 11.0 85 86 A D S S+ 0 0 172 1,-0.3 -1,-0.1 -2,-0.2 -3,-0.0 0.893 111.8 41.1 -49.5 -51.3 -14.3 -38.7 10.0 86 87 A S S S- 0 0 75 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.760 105.6-129.8 -71.5 -26.1 -11.2 -37.0 11.4 87 88 A G S S+ 0 0 30 -6,-0.4 2,-0.3 1,-0.3 -5,-0.1 0.683 77.2 85.9 83.0 18.6 -13.1 -35.9 14.5 88 89 A K - 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