==== 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 LIGASE 08-FEB-08 2VO1 . COMPND 2 MOLECULE: CTP SYNTHASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.STENMARK,P.KURSULA,C.ARROWSMITH,H.BERGLUND,A.EDWARDS,M.EHN . 463 7 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22216.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 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 . 37 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.2 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 0 0 1 1 2 1 1 1 6 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 2 4 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 -1 A Q 0 0 161 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 154.6 -6.3 42.6 4.0 2 0 A S - 0 0 73 1,-0.2 103,-0.0 0, 0.0 0, 0.0 -0.491 360.0 -77.0 -94.4 153.0 -3.9 39.9 2.8 3 1 A M - 0 0 24 -2,-0.2 2,-0.4 1,-0.1 103,-0.2 -0.018 41.8-147.8 -49.7 139.4 -2.0 37.3 4.8 4 2 A K E -a 106 0A 4 101,-1.2 103,-2.2 100,-0.1 2,-0.5 -0.921 10.7-154.2-113.9 135.3 1.2 38.5 6.6 5 3 A Y E -ab 107 139A 7 133,-2.4 135,-0.8 -2,-0.4 2,-0.5 -0.939 13.4-172.0-121.1 129.6 4.1 36.2 7.2 6 4 A I E -ab 108 140A 0 101,-2.2 103,-3.6 -2,-0.5 2,-0.6 -0.969 12.7-163.9-116.8 112.1 6.9 36.3 9.8 7 5 A L E -ab 109 141A 0 133,-3.2 135,-3.0 -2,-0.5 2,-0.6 -0.883 2.0-159.5-101.0 118.3 9.7 33.7 9.1 8 6 A V E +ab 110 142A 0 101,-3.7 103,-2.2 -2,-0.6 2,-0.3 -0.857 16.3 176.4 -96.8 122.2 12.0 32.9 12.0 9 7 A T E - b 0 143A 2 133,-2.8 135,-3.1 -2,-0.6 2,-0.3 -0.892 18.0-136.9-122.9 153.6 15.4 31.4 11.1 10 8 A G E - b 0 144A 2 103,-0.3 105,-3.5 101,-0.3 2,-0.3 -0.842 17.8-174.7-112.6 147.9 18.5 30.4 13.1 11 9 A G + 0 0 0 133,-2.3 2,-2.3 -2,-0.3 135,-0.1 -0.923 55.5 12.2-134.2 163.5 22.3 31.0 12.5 12 10 A V S S+ 0 0 59 103,-0.4 2,-0.3 -2,-0.3 133,-0.1 -0.378 121.0 16.7 78.0 -62.3 25.7 30.1 14.0 13 11 A I S S- 0 0 72 -2,-2.3 3,-0.5 100,-0.1 -2,-0.2 -0.977 75.1-118.1-136.1 150.9 24.5 27.4 16.4 14 12 A S S S+ 0 0 87 -2,-0.3 100,-0.1 1,-0.2 98,-0.0 -0.499 99.1 43.1 -72.2 159.7 21.4 25.2 16.9 15 13 A G S S+ 0 0 75 -2,-0.2 -1,-0.2 1,-0.0 0, 0.0 0.743 72.0 136.2 74.6 23.3 19.5 25.7 20.2 16 14 A I S S- 0 0 7 -3,-0.5 -2,-0.1 128,-0.1 129,-0.1 0.646 82.0 -92.9 -81.6 -14.3 20.0 29.4 19.8 17 15 A G S > S+ 0 0 22 127,-0.1 4,-2.2 3,-0.0 5,-0.2 0.696 75.2 143.7 111.1 27.6 16.4 30.0 20.8 18 16 A K H > S+ 0 0 18 2,-0.2 4,-3.7 1,-0.2 5,-0.2 0.946 75.5 50.5 -53.0 -57.0 14.4 30.1 17.6 19 17 A G H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 110.9 47.8 -53.6 -46.9 11.3 28.4 19.1 20 18 A I H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.944 114.7 46.0 -61.4 -49.1 11.2 30.7 22.0 21 19 A I H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.953 111.8 52.0 -56.8 -51.1 11.5 33.8 19.8 22 20 A A H X S+ 0 0 6 -4,-3.7 4,-2.0 1,-0.2 -1,-0.2 0.910 112.8 45.5 -51.3 -46.5 8.9 32.4 17.4 23 21 A S H X S+ 0 0 69 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.871 111.4 51.7 -65.9 -40.2 6.5 31.9 20.3 24 22 A S H X S+ 0 0 7 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.904 108.2 50.7 -67.2 -41.4 7.2 35.3 21.8 25 23 A V H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 5,-0.3 0.929 112.4 49.1 -59.5 -43.2 6.5 37.0 18.4 26 24 A G H X S+ 0 0 4 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.929 114.1 45.2 -59.0 -47.0 3.2 35.0 18.4 27 25 A T H X S+ 0 0 77 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.962 113.6 46.8 -63.4 -54.3 2.3 36.0 21.9 28 26 A I H X S+ 0 0 1 -4,-3.1 4,-0.8 2,-0.2 -1,-0.2 0.853 115.3 46.1 -63.7 -36.2 3.1 39.7 21.6 29 27 A L H ><>S+ 0 0 0 -4,-2.2 3,-1.8 -5,-0.3 5,-1.1 0.974 112.3 50.9 -65.8 -52.9 1.2 40.1 18.3 30 28 A K H ><5S+ 0 0 113 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.797 100.3 65.0 -48.8 -36.0 -1.7 38.1 19.7 31 29 A S H 3<5S+ 0 0 95 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.832 95.1 58.1 -60.9 -33.1 -1.6 40.5 22.7 32 30 A C T <<5S- 0 0 62 -3,-1.8 -1,-0.3 -4,-0.8 -2,-0.2 0.398 124.2-106.3 -71.5 -1.3 -2.6 43.3 20.2 33 31 A G T < 5S+ 0 0 66 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.713 72.8 145.5 78.2 18.2 -5.7 41.3 19.4 34 32 A L < - 0 0 9 -5,-1.1 2,-1.0 1,-0.0 -1,-0.3 -0.580 57.5-119.1 -74.6 150.4 -4.4 40.2 16.0 35 33 A H - 0 0 34 -2,-0.2 70,-3.3 68,-0.1 71,-1.3 -0.842 43.8-175.2 -93.6 98.7 -5.5 36.7 15.0 36 34 A V E -c 106 0A 3 -2,-1.0 2,-0.3 68,-0.2 71,-0.2 -0.743 12.1-163.6-101.3 141.1 -2.1 35.0 14.7 37 35 A T E -c 107 0A 3 69,-3.1 71,-2.9 -2,-0.3 2,-0.4 -0.843 9.7-139.7-120.2 161.6 -1.3 31.5 13.5 38 36 A S E -c 108 0A 58 -2,-0.3 2,-0.4 69,-0.2 12,-0.2 -0.973 12.8-173.7-130.1 133.9 1.8 29.3 13.8 39 37 A I E -c 109 0A 4 69,-2.8 71,-3.0 -2,-0.4 2,-0.4 -0.990 7.5-161.0-125.5 128.7 3.7 27.0 11.5 40 38 A K E -cd 110 51A 54 10,-1.7 12,-2.0 -2,-0.4 2,-0.5 -0.888 2.6-167.1-106.3 137.6 6.6 24.8 12.5 41 39 A I E -cd 111 52A 0 69,-2.9 71,-3.1 -2,-0.4 12,-0.2 -0.974 0.7-169.4-124.1 114.7 9.0 23.3 9.9 42 40 A D E - d 0 53A 39 10,-2.6 2,-1.4 -2,-0.5 12,-1.0 -0.913 17.1-147.0-100.9 119.7 11.4 20.6 11.0 43 41 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 10,-0.1 -0.054 63.4 110.2 -81.0 43.6 13.9 19.9 8.3 44 42 A Y S S- 0 0 114 -2,-1.4 10,-1.3 2,-0.2 11,-1.2 -0.662 77.9-116.1-115.6 167.7 14.1 16.2 9.3 45 43 A I S S+ 0 0 127 9,-0.2 8,-0.1 -2,-0.2 2,-0.0 0.565 71.9 120.6 -84.1 -8.3 12.9 13.0 7.5 46 44 A N 0 0 119 1,-0.1 10,-0.5 9,-0.1 9,-0.2 -0.322 360.0 360.0 -66.8 136.2 10.3 12.0 10.1 47 45 A I 0 0 132 8,-0.2 -1,-0.1 9,-0.1 9,-0.1 0.500 360.0 360.0-108.3 360.0 6.7 11.9 8.6 48 ! 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 49 85 A D 0 0 137 0, 0.0 -10,-0.1 0, 0.0 43,-0.0 0.000 360.0 360.0 360.0 151.5 -1.0 20.0 11.4 50 86 A N + 0 0 60 -12,-0.2 -10,-1.7 2,-0.1 2,-0.3 -0.882 360.0 106.6 86.7 -10.3 0.7 22.6 10.9 51 87 A N E -d 40 0A 47 -12,-0.2 -10,-0.2 -10,-0.0 2,-0.2 -0.840 48.7-166.2-137.2 96.6 4.1 20.8 11.3 52 88 A L E -d 41 0A 2 -12,-2.0 -10,-2.6 -2,-0.3 2,-0.3 -0.541 7.9-178.0 -79.0 149.7 5.9 20.3 7.9 53 89 A T E > -d 42 0A 6 -12,-0.2 4,-2.2 -2,-0.2 5,-0.2 -0.953 38.5-110.6-140.8 161.0 8.9 18.0 7.7 54 90 A T H > S+ 0 0 19 -10,-1.3 4,-3.1 -12,-1.0 -9,-0.2 0.931 118.3 47.5 -57.8 -49.5 11.3 17.0 4.9 55 91 A G H > S+ 0 0 9 -11,-1.2 4,-2.6 1,-0.2 5,-0.3 0.877 109.6 54.7 -62.6 -37.4 10.0 13.5 4.6 56 92 A K H > S+ 0 0 52 -10,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.932 113.9 41.1 -58.9 -45.9 6.4 14.8 4.6 57 93 A I H X S+ 0 0 5 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.915 116.2 47.4 -70.0 -44.8 7.3 17.1 1.7 58 94 A Y H X S+ 0 0 80 -4,-3.1 4,-4.1 1,-0.2 5,-0.2 0.961 111.4 50.6 -64.0 -49.6 9.4 14.6 -0.3 59 95 A Q H X S+ 0 0 81 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.868 109.7 53.7 -53.6 -39.2 6.8 11.8 0.1 60 96 A Y H X S+ 0 0 95 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.978 115.2 37.1 -58.5 -59.4 4.2 14.3 -1.2 61 97 A V H X S+ 0 0 9 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.914 115.1 56.5 -62.2 -42.8 6.1 15.1 -4.3 62 98 A I H X S+ 0 0 74 -4,-4.1 4,-2.5 -5,-0.2 -2,-0.2 0.953 110.0 45.2 -50.0 -53.8 7.3 11.5 -4.7 63 99 A N H X S+ 0 0 75 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.914 110.9 52.8 -58.6 -47.7 3.7 10.2 -4.7 64 100 A K H <>S+ 0 0 43 -4,-2.3 5,-2.3 2,-0.2 6,-0.3 0.896 111.3 46.3 -54.1 -45.9 2.5 12.9 -7.1 65 101 A E H ><5S+ 0 0 92 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.947 109.0 54.4 -66.7 -47.6 5.3 12.0 -9.6 66 102 A R H 3<5S+ 0 0 186 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.827 110.0 48.8 -52.4 -35.0 4.5 8.3 -9.2 67 103 A K T 3<5S- 0 0 147 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.248 120.8-108.3 -94.3 14.6 0.9 9.2 -10.1 68 104 A G T X 5S+ 0 0 41 -3,-2.3 3,-2.1 -5,-0.1 -3,-0.2 0.455 72.9 138.3 84.0 3.8 1.8 11.3 -13.2 69 105 A D T 3 < + 0 0 72 -5,-2.3 -4,-0.2 1,-0.3 -5,-0.1 0.657 69.6 56.1 -61.0 -21.0 1.0 14.7 -11.8 70 106 A Y T > S- 0 0 35 -6,-0.3 3,-1.6 -5,-0.2 -1,-0.3 0.177 112.4-116.9 -97.7 17.9 4.1 16.3 -13.3 71 107 A L T < - 0 0 154 -3,-2.1 -2,-0.1 1,-0.3 3,-0.1 0.901 66.7 -58.6 51.4 50.8 3.2 15.2 -16.9 72 108 A G T 3 S+ 0 0 80 -4,-0.2 -1,-0.3 -7,-0.2 2,-0.1 0.625 101.8 135.8 57.3 19.6 6.3 12.9 -17.3 73 109 A K < - 0 0 158 -3,-1.6 2,-0.2 1,-0.1 -1,-0.2 -0.487 67.4 -85.3 -94.3 165.8 8.8 15.8 -16.8 74 110 A T - 0 0 119 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.527 44.1-144.0 -72.4 136.4 11.9 15.5 -14.7 75 111 A V + 0 0 42 -2,-0.2 2,-0.3 4,-0.1 3,-0.1 -0.917 25.1 176.8-111.1 131.0 11.0 16.3 -11.0 76 112 A Q >> - 0 0 115 -2,-0.5 5,-1.3 1,-0.1 4,-0.8 -0.849 47.8-108.7-135.0 157.8 13.6 18.2 -8.9 77 113 A V H >>S+ 0 0 58 -2,-0.3 5,-2.1 1,-0.2 4,-1.3 0.952 105.3 67.3 -47.8 -53.6 14.3 19.8 -5.5 78 114 A V H 45S+ 0 0 48 1,-0.2 -1,-0.2 3,-0.2 48,-0.0 -0.973 118.1 0.1-115.7 121.9 13.9 23.1 -7.3 79 115 A P H >5S+ 0 0 47 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 -0.994 134.4 49.7 -92.1 -5.0 11.2 23.9 -8.4 80 116 A H H X5S+ 0 0 32 -4,-0.8 4,-1.6 2,-0.2 -3,-0.2 0.871 115.7 35.6 -77.0 -41.2 9.2 20.9 -7.3 81 117 A I H X< S+ 0 0 20 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.947 107.0 60.0 -60.4 -51.0 -1.9 26.1 6.7 93 129 A A H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.826 104.1 53.9 -45.6 -36.0 -1.6 29.9 7.0 94 130 A L H 3< S+ 0 0 70 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.746 83.5 102.2 -74.4 -24.8 -5.2 30.2 5.8 95 131 A I S << S- 0 0 81 -3,-1.7 7,-0.1 -4,-0.7 -3,-0.0 -0.379 76.9-113.0 -68.6 134.8 -6.8 27.8 8.4 96 132 A P + 0 0 59 0, 0.0 7,-0.1 0, 0.0 -1,-0.1 -0.198 31.5 177.3 -67.7 161.5 -8.6 29.5 11.3 97 133 A V + 0 0 83 5,-0.4 2,-0.2 3,-0.2 -61,-0.1 -0.319 50.7 99.8-157.0 47.7 -7.4 29.2 14.9 98 134 A D S S- 0 0 50 -63,-0.1 3,-0.2 4,-0.1 -63,-0.0 -0.732 89.6 -87.7-144.2 171.1 -10.0 31.4 16.6 99 135 A E S S+ 0 0 194 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.837 118.7 2.3 -56.2 -37.1 -13.1 32.3 18.6 100 136 A D S S- 0 0 120 2,-0.1 2,-2.0 0, 0.0 -1,-0.2 -0.954 99.6 -80.0-159.8 156.1 -14.8 32.1 15.2 101 137 A G + 0 0 56 -2,-0.3 2,-0.3 -3,-0.2 -2,-0.0 -0.260 66.2 131.3 -77.7 67.2 -13.7 31.3 11.7 102 138 A L - 0 0 113 -2,-2.0 -5,-0.4 1,-0.1 3,-0.1 -0.696 65.4 -91.9 -94.9 156.9 -11.9 34.1 9.9 103 139 A E - 0 0 123 -2,-0.3 -8,-0.1 -7,-0.1 -68,-0.1 -0.381 50.7-100.2 -62.3 141.1 -8.6 33.7 8.2 104 140 A P - 0 0 5 0, 0.0 -68,-0.2 0, 0.0 -1,-0.1 -0.308 21.5-145.4 -56.9 151.3 -5.6 34.5 10.4 105 141 A Q S S+ 0 0 70 -70,-3.3 -101,-1.2 1,-0.2 2,-0.3 0.755 81.4 22.0 -90.0 -30.9 -4.0 37.9 10.0 106 142 A V E -ac 4 36A 0 -71,-1.3 -69,-3.1 -103,-0.2 2,-0.4 -0.983 62.2-160.0-138.5 146.8 -0.4 36.8 10.6 107 143 A C E -ac 5 37A 0 -103,-2.2 -101,-2.2 -2,-0.3 2,-0.6 -0.964 9.9-152.8-131.2 113.5 1.4 33.5 10.4 108 144 A V E -ac 6 38A 3 -71,-2.9 -69,-2.8 -2,-0.4 2,-0.6 -0.783 12.1-158.3 -89.3 122.1 4.7 33.0 12.3 109 145 A I E -ac 7 39A 0 -103,-3.6 -101,-3.7 -2,-0.6 2,-0.7 -0.891 4.3-161.4-105.4 117.9 6.8 30.4 10.6 110 146 A E E -ac 8 40A 35 -71,-3.0 -69,-2.9 -2,-0.6 2,-0.6 -0.897 7.6-162.6 -96.3 113.0 9.5 28.6 12.7 111 147 A L E - c 0 41A 3 -103,-2.2 -101,-0.3 -2,-0.7 -69,-0.2 -0.850 11.5-144.4 -95.8 118.4 12.1 27.0 10.4 112 148 A G + 0 0 3 -71,-3.1 -102,-0.1 -2,-0.6 2,-0.1 -0.163 58.9 44.6 -69.2 173.6 14.2 24.4 12.2 113 149 A G S S- 0 0 11 -104,-0.1 2,-0.4 2,-0.1 -103,-0.3 -0.290 90.3 -75.0 84.2-172.7 17.9 23.8 11.5 114 150 A T > - 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