==== 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 HYDROLASE 13-JUL-07 2QLP . COMPND 2 MOLECULE: DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.CHRISTOPHERSEN,P.HARRIS,M.WILLEMOES . 956 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 609 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 301 31.5 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 . 6 0.6 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 . 79 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 6 0 0 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 18 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 . 18 22 12 13 3 6 0 2 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 10 0 1 3 8 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 M 0 0 33 0, 0.0 152,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.1 12.5 7.2 45.4 2 2 A L B -Ab 152 476A 5 473,-1.8 475,-2.5 150,-0.2 476,-0.4 -0.608 360.0-129.1 -89.7 122.5 14.5 7.7 42.2 3 3 A L - 0 0 0 148,-2.4 148,-0.3 -2,-0.4 2,-0.1 -0.436 23.1-137.8 -64.7 134.2 17.8 5.9 41.7 4 4 A S > - 0 0 0 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.402 30.3 -96.3 -84.0 168.8 20.8 8.1 40.7 5 5 A D H > S+ 0 0 11 24,-2.1 4,-2.4 1,-0.2 5,-0.2 0.904 126.5 51.0 -48.0 -47.4 23.4 7.2 38.1 6 6 A R H > S+ 0 0 103 473,-0.2 4,-1.9 23,-0.2 -1,-0.2 0.901 112.7 44.6 -64.6 -40.6 25.7 5.9 40.8 7 7 A D H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.830 111.0 54.0 -70.1 -34.3 23.0 3.6 42.3 8 8 A L H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.919 109.4 49.6 -63.7 -40.6 21.9 2.5 38.8 9 9 A R H X S+ 0 0 74 -4,-2.4 4,-3.2 -5,-0.3 -2,-0.2 0.909 109.9 49.5 -63.6 -42.6 25.5 1.5 38.2 10 10 A A H X S+ 0 0 48 -4,-1.9 4,-0.7 2,-0.2 6,-0.2 0.929 111.9 48.8 -62.3 -44.3 25.7 -0.4 41.5 11 11 A E H <>S+ 0 0 5 -4,-2.4 6,-1.5 1,-0.2 5,-1.2 0.881 117.0 42.5 -61.2 -41.9 22.4 -2.3 40.7 12 12 A I H ><5S+ 0 0 27 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.942 111.2 51.9 -71.1 -50.6 23.7 -3.2 37.2 13 13 A S H 3<5S+ 0 0 106 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.561 111.5 50.0 -71.0 -4.2 27.2 -4.1 38.1 14 14 A S T 3<5S- 0 0 60 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.318 111.7-120.5-109.0 3.8 25.9 -6.5 40.8 15 15 A G T < 5S+ 0 0 62 -3,-2.2 -3,-0.2 2,-0.3 -2,-0.1 0.458 83.7 113.4 73.5 2.9 23.4 -8.2 38.4 16 16 A R S - 0 0 61 -2,-0.4 3,-2.1 1,-0.1 4,-0.3 -0.935 16.1-155.4-137.1 113.1 26.1 0.6 27.3 24 24 A D G > S+ 0 0 75 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.727 89.0 68.4 -64.3 -25.3 27.5 2.8 30.0 25 25 A T G 3 S+ 0 0 108 1,-0.2 -1,-0.3 8,-0.0 8,-0.0 0.623 91.5 64.6 -69.2 -8.5 27.4 6.0 28.0 26 26 A L G < S+ 0 0 9 -3,-2.1 7,-2.1 7,-0.1 -1,-0.2 0.640 74.2 110.0 -89.1 -14.1 23.6 5.8 28.1 27 27 A V E < -C 32 0A 16 -3,-1.3 5,-0.2 -4,-0.3 -22,-0.0 -0.435 52.4-165.4 -64.7 130.5 23.4 6.3 31.8 28 28 A Q E > -C 31 0A 58 3,-3.4 3,-0.8 -2,-0.2 -2,-0.1 -0.631 40.4 -84.1-112.5 173.9 21.9 9.7 32.7 29 29 A P T 3 S- 0 0 36 0, 0.0 -24,-2.1 0, 0.0 -23,-0.2 0.829 122.6 -1.7 -52.7 -38.0 21.9 11.6 36.0 30 30 A S T 3 S+ 0 0 0 -26,-0.2 2,-0.3 -25,-0.1 121,-0.3 -0.020 132.6 27.7-145.0 38.5 18.8 9.8 37.2 31 31 A S E < S-C 28 0A 0 -3,-0.8 -3,-3.4 119,-0.1 2,-0.4 -0.961 71.3-109.9-170.7 179.8 17.8 7.4 34.4 32 32 A I E -CD 27 149A 10 117,-2.2 117,-3.2 -2,-0.3 -5,-0.2 -0.998 27.6-121.3-131.7 135.9 19.1 5.4 31.5 33 33 A D E - D 0 148A 8 -7,-2.1 2,-0.3 -2,-0.4 115,-0.3 -0.383 27.3-155.0 -66.3 145.5 18.5 6.0 27.8 34 34 A V E - D 0 147A 1 113,-2.7 112,-2.6 -2,-0.1 113,-1.2 -0.859 6.4-132.4-121.6 160.9 16.8 3.3 25.8 35 35 A R E - D 0 145A 47 -2,-0.3 50,-2.9 110,-0.3 2,-0.4 -0.806 19.1-105.5-119.5 157.7 16.9 2.4 22.1 36 36 A L B -I 84 0C 0 108,-2.3 107,-2.7 -2,-0.3 48,-0.2 -0.625 29.5-148.2 -82.8 123.8 14.4 1.6 19.3 37 37 A D - 0 0 47 46,-3.0 46,-0.2 -2,-0.4 48,-0.1 -0.278 21.2-115.6 -80.9-179.3 14.2 -2.0 18.1 38 38 A C S S+ 0 0 46 104,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.452 81.7 86.0-108.1 -3.3 13.4 -2.8 14.5 39 39 A L - 0 0 75 26,-0.1 2,-0.3 44,-0.1 44,-0.2 -0.851 52.3-177.6-101.8 139.9 10.0 -4.7 14.7 40 40 A F E -J 64 0D 1 24,-2.3 24,-2.8 -2,-0.4 2,-0.5 -0.951 18.5-144.6-132.9 148.9 6.7 -2.8 14.7 41 41 A R E -JK 63 81D 117 40,-2.8 40,-2.2 -2,-0.3 2,-0.3 -0.962 18.1-173.0-112.0 132.3 3.1 -3.8 14.9 42 42 A V E -J 62 0D 27 20,-2.1 20,-2.3 -2,-0.5 2,-0.4 -0.855 27.8-106.1-117.3 161.2 0.5 -1.8 12.9 43 43 A F E -J 61 0D 12 36,-0.5 2,-1.2 -2,-0.3 18,-0.2 -0.723 14.8-149.0 -94.0 132.3 -3.3 -2.1 13.1 44 44 A N > + 0 0 47 16,-1.5 3,-1.0 -2,-0.4 4,-0.4 -0.690 27.8 166.2 -97.1 82.6 -5.3 -3.8 10.3 45 45 A N T 3 + 0 0 9 -2,-1.2 -1,-0.2 1,-0.2 833,-0.1 0.372 56.9 79.6 -87.1 7.8 -8.4 -1.8 10.7 46 46 A T T 3 S+ 0 0 38 1,-0.1 830,-2.1 831,-0.1 -1,-0.2 0.608 96.7 46.4 -84.1 -14.0 -10.0 -2.9 7.3 47 47 A R S < S+ 0 0 110 -3,-1.0 2,-0.4 828,-0.2 -2,-0.2 0.648 109.0 55.3-100.4 -19.7 -11.1 -6.3 8.8 48 48 A Y - 0 0 41 -4,-0.4 3,-0.1 828,-0.1 -1,-0.1 -0.906 56.3-155.3-119.7 147.0 -12.7 -5.1 12.1 49 49 A T S S- 0 0 26 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.774 80.2 -14.7 -77.8 -29.8 -15.4 -2.6 13.1 50 50 A H - 0 0 33 248,-0.2 2,-0.4 187,-0.0 -1,-0.3 -0.994 64.5 -99.8-170.1 158.9 -13.9 -2.1 16.5 51 51 A I B -o 300 0E 0 248,-3.0 250,-2.7 -2,-0.3 3,-0.1 -0.761 27.8-166.8 -89.1 132.3 -11.6 -3.2 19.3 52 52 A D > - 0 0 6 -2,-0.4 3,-2.0 248,-0.2 250,-0.1 -0.915 9.4-161.1-124.7 106.0 -13.2 -5.1 22.2 53 53 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 249,-0.1 0.732 90.9 57.7 -51.6 -29.9 -10.9 -5.4 25.2 54 54 A A T 3 S+ 0 0 80 247,-0.2 2,-0.2 -3,-0.1 -3,-0.0 0.568 101.8 64.0 -85.5 -7.9 -13.0 -8.3 26.6 55 55 A K S < S- 0 0 136 -3,-2.0 2,-0.4 2,-0.0 -3,-0.1 -0.695 86.2-113.9-108.1 166.1 -12.5 -10.5 23.5 56 56 A Q - 0 0 166 -2,-0.2 2,-0.4 2,-0.0 -2,-0.1 -0.846 30.1-173.7 -94.7 133.0 -9.4 -12.0 21.9 57 57 A Q > + 0 0 36 -2,-0.4 3,-0.9 1,-0.1 4,-0.1 -0.804 8.5 172.4-135.4 94.0 -8.6 -10.4 18.5 58 58 A D G > S+ 0 0 102 -2,-0.4 3,-0.6 1,-0.3 -1,-0.1 0.812 74.9 49.7 -82.0 -36.3 -5.7 -12.2 16.8 59 59 A E G 3 S+ 0 0 97 1,-0.2 -1,-0.3 -12,-0.0 -15,-0.2 0.113 81.6 110.5 -90.3 24.9 -5.6 -10.7 13.3 60 60 A L G < S+ 0 0 14 -3,-0.9 -16,-1.5 -17,-0.1 2,-0.3 0.748 75.9 31.6 -71.9 -28.6 -5.7 -7.3 15.0 61 61 A T E < -J 43 0D 28 -3,-0.6 2,-0.3 -18,-0.2 -18,-0.2 -0.870 65.5-146.6-131.2 165.9 -2.1 -6.3 14.2 62 62 A S E -J 42 0D 49 -20,-2.3 -20,-2.1 -2,-0.3 2,-0.6 -0.977 23.9-111.5-135.0 148.4 0.6 -6.9 11.5 63 63 A L E -J 41 0D 111 -2,-0.3 2,-0.5 -22,-0.2 -22,-0.2 -0.645 33.3-179.0 -84.9 115.8 4.3 -7.2 11.4 64 64 A V E +J 40 0D 32 -24,-2.8 -24,-2.3 -2,-0.6 8,-0.0 -0.964 3.8 175.8-113.0 130.0 6.2 -4.3 9.8 65 65 A Q - 0 0 107 -2,-0.5 -26,-0.1 -26,-0.2 3,-0.1 -0.934 27.6-127.5-134.4 115.3 9.9 -4.2 9.5 66 66 A P - 0 0 12 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.193 32.1-104.3 -48.5 138.1 11.8 -1.5 7.7 67 67 A V > - 0 0 74 4,-0.2 3,-1.4 1,-0.1 0, 0.0 -0.355 56.6 -84.7 -58.4 151.8 14.3 -2.6 5.0 68 68 A D T 3 S+ 0 0 134 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.277 114.4 22.0 -68.9 151.2 17.8 -2.1 6.4 69 69 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.251 110.3 93.7 79.5 -14.2 19.4 1.3 6.2 70 70 A E S < S- 0 0 76 -3,-1.4 -1,-0.3 1,-0.0 2,-0.2 -0.694 71.6-117.9-108.0 161.3 15.9 2.8 5.8 71 71 A P - 0 0 28 0, 0.0 2,-0.7 0, 0.0 70,-0.2 -0.586 14.8-119.3 -95.2 157.6 13.4 4.3 8.4 72 72 A F E -Q 140 0F 2 68,-2.3 68,-2.4 -2,-0.2 2,-0.6 -0.887 36.2-142.1 -90.2 114.8 9.9 3.5 9.7 73 73 A V E -Q 139 0F 3 776,-2.2 2,-0.7 -2,-0.7 66,-0.2 -0.714 11.0-157.7 -90.5 123.4 8.0 6.6 8.9 74 74 A L E -Q 138 0F 0 64,-2.8 64,-2.0 -2,-0.6 775,-0.1 -0.858 8.4-159.1-105.7 107.8 5.4 7.6 11.5 75 75 A H > - 0 0 4 -2,-0.7 3,-2.0 62,-0.2 57,-0.3 -0.542 32.8 -89.4 -88.5 150.6 2.6 9.8 10.2 76 76 A P T 3 S+ 0 0 54 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.300 113.6 21.9 -55.7 135.7 0.4 12.0 12.4 77 77 A G T 3 S+ 0 0 64 55,-1.1 2,-0.3 1,-0.3 56,-0.1 0.315 94.2 118.2 89.7 -9.9 -2.6 10.1 13.7 78 78 A E < - 0 0 42 -3,-2.0 54,-0.5 54,-0.2 2,-0.5 -0.676 50.6-151.6 -89.0 149.3 -1.2 6.7 13.2 79 79 A F E + L 0 131D 7 -2,-0.3 -36,-0.5 52,-0.1 2,-0.4 -0.981 20.3 172.4-120.6 123.6 -0.7 4.4 16.2 80 80 A V E - L 0 130D 3 50,-1.8 50,-3.5 -2,-0.5 2,-0.4 -0.987 26.6-134.0-136.3 148.6 2.1 1.7 16.3 81 81 A L E +KL 41 129D 13 -40,-2.2 -40,-2.8 -2,-0.4 48,-0.2 -0.815 33.6 159.4 -98.4 133.4 3.6 -0.7 18.7 82 82 A G E - L 0 128D 9 46,-2.7 46,-2.4 -2,-0.4 2,-0.3 -0.593 24.6-126.5-134.9-163.6 7.4 -1.0 19.0 83 83 A S E - L 0 127D 27 44,-0.3 -46,-3.0 -44,-0.2 2,-0.3 -0.994 21.2-102.5-155.3 148.8 10.0 -2.3 21.4 84 84 A T B -I 36 0C 0 42,-2.0 -48,-0.2 -2,-0.3 -46,-0.1 -0.580 27.8-137.7 -70.9 136.2 13.1 -1.3 23.3 85 85 A L S S+ 0 0 45 -50,-2.9 -1,-0.1 -2,-0.3 -49,-0.1 0.888 84.3 80.1 -62.7 -36.3 16.2 -2.9 21.7 86 86 A E S S- 0 0 4 -51,-0.3 2,-0.5 1,-0.0 40,-0.5 -0.319 78.7-132.7 -68.1 150.5 17.4 -3.7 25.3 87 87 A L E -G 20 0B 60 -67,-2.8 -67,-2.2 38,-0.2 2,-0.4 -0.939 26.5-156.5 -99.7 123.4 16.3 -6.7 27.4 88 88 A F E -GH 19 124B 2 36,-2.8 36,-2.4 -2,-0.5 2,-0.4 -0.842 14.9-173.1-107.0 139.5 15.4 -5.6 30.9 89 89 A T E -GH 18 123B 58 -71,-2.2 -71,-2.8 -2,-0.4 34,-0.2 -0.939 11.6-164.6-128.7 110.8 15.3 -7.7 34.1 90 90 A L - 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