==== 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-AUG-07 2QXX . COMPND 2 MOLECULE: DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.CHRISTOPHERSEN,P.HARRIS,M.WILLEMOES . 378 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 60.1 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 . 101 26.7 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 . 2 0.5 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 . 39 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 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 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 . 5 7 8 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 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 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 0 179 0, 0.0 152,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 101.4 -3.2 -3.8 -4.6 2 2 A L B -A 152 0A 82 150,-0.2 2,-0.3 1,-0.0 150,-0.2 -0.772 360.0-111.8 -99.3 133.3 -3.1 -6.1 -7.6 3 3 A L - 0 0 3 148,-2.7 148,-0.3 -2,-0.4 -1,-0.0 -0.452 26.9-139.9 -70.5 126.9 0.3 -7.5 -8.9 4 4 A S > - 0 0 43 -2,-0.3 4,-2.5 1,-0.1 26,-0.3 -0.284 35.1 -93.7 -69.6 166.7 1.4 -6.2 -12.3 5 5 A D H > S+ 0 0 61 24,-1.9 4,-2.1 1,-0.2 5,-0.1 0.868 126.0 51.4 -47.2 -43.4 3.1 -8.6 -14.8 6 6 A R H > S+ 0 0 186 23,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 111.2 44.9 -65.8 -43.9 6.5 -7.6 -13.6 7 7 A D H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.851 110.5 54.5 -72.4 -35.1 5.8 -8.2 -9.9 8 8 A L H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.931 109.7 49.0 -58.2 -45.4 4.0 -11.5 -10.7 9 9 A R H X S+ 0 0 85 -4,-2.1 4,-3.2 -5,-0.2 -2,-0.2 0.869 109.5 51.9 -62.8 -37.3 7.2 -12.5 -12.5 10 10 A A H X S+ 0 0 36 -4,-1.8 4,-1.8 1,-0.2 6,-0.3 0.861 107.9 50.9 -66.5 -37.6 9.3 -11.4 -9.5 11 11 A E H <>S+ 0 0 3 -4,-2.1 6,-2.4 2,-0.2 5,-1.2 0.803 114.7 45.5 -69.8 -29.6 7.2 -13.6 -7.1 12 12 A I H ><5S+ 0 0 25 -4,-1.5 3,-1.3 4,-0.2 -2,-0.2 0.947 113.5 45.6 -79.2 -51.5 7.7 -16.5 -9.5 13 13 A S H 3<5S+ 0 0 104 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.825 111.6 54.3 -62.6 -28.4 11.4 -16.1 -10.0 14 14 A S T 3<5S- 0 0 57 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.656 111.6-122.9 -78.5 -13.9 11.9 -15.6 -6.3 15 15 A G T < 5S+ 0 0 62 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.554 81.7 116.2 83.8 7.9 10.2 -18.9 -5.6 16 16 A R S - 0 0 57 -2,-0.6 3,-1.8 1,-0.1 4,-0.1 -0.954 10.8-161.0-116.7 114.6 4.8 -20.7 -19.0 24 24 A D G > S+ 0 0 72 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.776 86.7 69.9 -66.9 -29.3 6.1 -17.1 -19.1 25 25 A T G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.613 92.7 62.7 -61.9 -10.5 4.3 -16.4 -22.4 26 26 A L G < S+ 0 0 10 -3,-1.8 7,-2.7 7,-0.1 -1,-0.3 0.519 74.4 112.0 -90.7 -7.4 1.1 -16.6 -20.4 27 27 A V E < -B 32 0A 11 -3,-1.8 5,-0.3 5,-0.2 -22,-0.1 -0.444 50.3-166.9 -70.9 141.0 1.8 -13.6 -18.2 28 28 A Q E > -B 31 0A 83 3,-3.7 3,-0.7 -2,-0.1 -2,-0.1 -0.735 39.5 -82.8-125.3 173.6 -0.5 -10.7 -18.9 29 29 A P T 3 S- 0 0 90 0, 0.0 -24,-1.9 0, 0.0 -23,-0.2 0.798 124.7 -1.1 -45.5 -34.1 -0.6 -7.0 -17.9 30 30 A S T 3 S+ 0 0 44 -26,-0.3 121,-0.3 -25,-0.1 2,-0.3 0.134 133.1 23.5-145.9 15.5 -2.2 -7.8 -14.6 31 31 A S E < S-B 28 0A 4 -3,-0.7 -3,-3.7 119,-0.1 2,-0.4 -0.952 71.1-108.0-169.5 172.6 -2.7 -11.6 -14.4 32 32 A I E -BC 27 149A 3 117,-2.0 117,-3.2 -2,-0.3 -5,-0.2 -0.997 32.9-123.5-123.5 129.2 -1.5 -14.9 -15.8 33 33 A D E - C 0 148A 8 -7,-2.7 115,-0.3 -2,-0.4 2,-0.3 -0.459 30.6-154.3 -65.4 141.6 -3.6 -16.9 -18.2 34 34 A V E - C 0 147A 1 113,-2.8 112,-2.6 -2,-0.1 113,-1.1 -0.789 4.1-127.2-118.9 163.7 -4.3 -20.4 -17.0 35 35 A R E - C 0 145A 42 110,-0.3 50,-2.8 -2,-0.3 51,-0.4 -0.789 17.0-111.7-118.5 154.2 -5.1 -23.7 -18.8 36 36 A L B -H 84 0C 0 108,-2.6 107,-3.2 105,-0.3 48,-0.2 -0.631 27.1-141.8 -85.0 134.6 -7.8 -26.3 -18.6 37 37 A D - 0 0 34 46,-3.2 48,-0.1 -2,-0.3 107,-0.1 -0.094 24.9-109.7 -80.1-175.6 -7.0 -29.9 -17.4 38 38 A C S S+ 0 0 37 104,-0.1 2,-0.5 46,-0.1 -1,-0.1 0.156 87.2 98.1-104.3 19.2 -8.5 -33.1 -18.8 39 39 A L + 0 0 36 44,-0.2 2,-0.3 26,-0.2 44,-0.2 -0.938 46.7 171.7-116.9 126.3 -10.6 -33.8 -15.8 40 40 A F E -I 64 0D 0 24,-2.6 24,-3.8 -2,-0.5 2,-0.5 -0.967 22.5-149.4-133.9 143.8 -14.3 -33.0 -15.6 41 41 A R E -IJ 63 81D 40 40,-2.5 40,-1.9 -2,-0.3 2,-0.3 -0.976 17.2-165.5-113.5 122.6 -17.2 -33.7 -13.2 42 42 A V E -I 62 0D 6 20,-2.1 20,-2.0 -2,-0.5 2,-1.3 -0.796 25.6-124.7-104.1 146.1 -20.7 -33.9 -14.6 43 43 A F + 0 0 89 36,-0.5 18,-0.2 -2,-0.3 17,-0.1 -0.707 61.8 132.0 -88.5 87.7 -24.0 -33.8 -12.6 44 44 A N + 0 0 47 -2,-1.3 2,-0.2 16,-0.4 -1,-0.2 0.032 20.0 141.2-133.5 27.1 -25.4 -37.1 -13.9 45 45 A N - 0 0 20 15,-0.8 15,-0.1 1,-0.1 17,-0.0 -0.481 25.7-176.4 -70.9 141.8 -26.5 -38.9 -10.8 46 46 A T S S+ 0 0 29 -2,-0.2 217,-2.0 218,-0.0 -1,-0.1 0.209 70.5 56.4-125.8 18.5 -29.8 -40.8 -11.0 47 47 A R S S+ 0 0 118 215,-0.2 2,-0.1 209,-0.0 13,-0.1 0.717 80.4 84.4-116.0 -37.7 -30.4 -42.1 -7.5 48 48 A Y - 0 0 64 1,-0.1 3,-0.1 11,-0.1 9,-0.0 -0.459 60.4-150.4 -74.1 148.3 -30.4 -39.2 -5.1 49 49 A T S S- 0 0 72 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.648 73.3 -19.6 -87.5 -18.9 -33.6 -37.3 -4.5 50 50 A H - 0 0 102 276,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.967 69.3 -91.1-175.2 167.3 -31.9 -34.0 -3.8 51 51 A I - 0 0 100 -2,-0.3 3,-0.1 -3,-0.1 6,-0.0 -0.857 31.1-175.2 -99.1 131.6 -28.7 -32.2 -2.7 52 52 A D > - 0 0 41 -2,-0.4 3,-2.7 3,-0.2 131,-0.1 -0.948 15.9-156.9-128.0 107.5 -28.1 -31.6 1.1 53 53 A P T 3 S+ 0 0 67 0, 0.0 133,-0.1 0, 0.0 -1,-0.1 0.733 94.7 61.1 -58.3 -22.0 -25.0 -29.6 1.8 54 54 A A T 3 S+ 0 0 23 2,-0.1 2,-0.3 -3,-0.1 132,-0.1 0.570 100.2 69.5 -77.8 -8.8 -25.0 -31.1 5.4 55 55 A K S < S- 0 0 122 -3,-2.7 2,-0.5 129,-0.0 128,-0.2 -0.816 85.2-115.2-115.6 149.3 -24.7 -34.6 3.9 56 56 A Q + 0 0 107 -2,-0.3 2,-0.1 127,-0.1 3,-0.1 -0.714 37.7 165.8 -81.4 126.2 -21.9 -36.5 2.1 57 57 A Q > + 0 0 30 -2,-0.5 3,-2.0 123,-0.3 4,-0.2 -0.531 5.2 163.8-140.9 67.5 -22.9 -37.3 -1.4 58 58 A D G > S+ 0 0 72 1,-0.3 3,-0.6 2,-0.1 -1,-0.1 0.739 73.5 61.7 -67.7 -20.8 -19.8 -38.3 -3.3 59 59 A E G 3 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.1 -11,-0.1 0.346 71.5 101.2 -86.0 6.7 -21.7 -39.8 -6.1 60 60 A L G < S+ 0 0 37 -3,-2.0 -15,-0.8 -15,-0.1 -16,-0.4 0.868 89.2 30.1 -58.0 -36.2 -23.4 -36.5 -7.0 61 61 A T S < S- 0 0 12 -3,-0.6 2,-0.4 -4,-0.2 -18,-0.2 -0.835 74.2-136.3-121.7 160.0 -21.0 -36.1 -10.0 62 62 A S E -I 42 0D 47 -20,-2.0 -20,-2.1 -2,-0.3 2,-0.4 -0.946 22.9-124.1-111.8 141.4 -19.1 -38.5 -12.3 63 63 A L E -I 41 0D 93 -2,-0.4 2,-0.4 -22,-0.2 -22,-0.2 -0.699 33.8-174.2 -82.8 129.0 -15.5 -37.9 -13.2 64 64 A V E -I 40 0D 31 -24,-3.8 -24,-2.6 -2,-0.4 8,-0.0 -0.979 14.2-175.3-131.0 135.2 -15.1 -37.7 -16.9 65 65 A Q - 0 0 111 -2,-0.4 -26,-0.2 -26,-0.2 3,-0.1 -0.990 25.9-129.2-128.8 120.8 -11.9 -37.5 -19.0 66 66 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.370 35.8 -88.7 -70.2 154.5 -12.2 -37.1 -22.7 67 67 A V > - 0 0 79 4,-0.2 3,-2.7 1,-0.1 0, 0.0 -0.308 62.6 -83.9 -52.0 134.8 -10.3 -39.4 -25.1 68 68 A D T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 -0.177 119.9 20.0 -47.0 126.0 -6.8 -37.9 -25.8 69 69 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.358 106.7 102.6 92.4 -4.5 -7.2 -35.3 -28.6 70 70 A E < - 0 0 54 -3,-2.7 -1,-0.3 -4,-0.1 2,-0.1 -0.816 66.4-124.0-111.7 152.5 -10.9 -34.9 -28.1 71 71 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 70,-0.2 -0.426 20.0-118.8 -84.5 162.5 -12.9 -32.1 -26.4 72 72 A F E -M 140 0E 1 68,-2.7 68,-3.2 -2,-0.1 2,-0.7 -0.906 31.8-132.4 -93.9 133.9 -15.3 -32.4 -23.5 73 73 A V E -M 139 0E 1 163,-2.0 2,-0.6 -2,-0.5 66,-0.2 -0.830 15.7-161.3 -96.7 113.4 -18.7 -31.1 -24.7 74 74 A L E -M 138 0E 0 64,-2.5 64,-2.5 -2,-0.7 3,-0.1 -0.827 19.4-141.1 -91.0 119.7 -20.4 -28.7 -22.3 75 75 A H > - 0 0 56 -2,-0.6 3,-2.0 62,-0.2 57,-0.3 -0.469 28.4 -82.8 -89.3 155.9 -24.1 -28.6 -23.2 76 76 A P T 3 S+ 0 0 55 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.323 117.6 13.3 -57.3 131.3 -26.3 -25.5 -23.2 77 77 A G T 3 S+ 0 0 75 55,-2.8 2,-0.3 1,-0.3 56,-0.1 0.558 102.2 131.1 77.3 9.3 -27.6 -24.7 -19.7 78 78 A E < - 0 0 42 -3,-2.0 54,-2.0 54,-0.3 2,-0.4 -0.729 41.1-163.2 -99.5 147.4 -25.1 -27.1 -18.3 79 79 A F E + K 0 131D 72 -2,-0.3 -36,-0.5 52,-0.2 2,-0.3 -0.979 16.9 165.9-123.0 132.8 -22.7 -26.6 -15.3 80 80 A V E - K 0 130D 0 50,-2.4 50,-2.7 -2,-0.4 2,-0.5 -0.934 35.4-113.2-135.9 167.3 -19.7 -28.9 -14.7 81 81 A L E +JK 41 129D 22 -40,-1.9 -40,-2.5 -2,-0.3 48,-0.2 -0.900 37.0 173.6 -98.6 132.9 -16.5 -28.7 -12.5 82 82 A G E - K 0 128D 0 46,-3.1 46,-1.7 -2,-0.5 2,-0.3 -0.492 17.5-135.1-118.9-166.9 -13.2 -28.5 -14.4 83 83 A S E - K 0 127D 0 44,-0.3 -46,-3.2 -44,-0.2 44,-0.2 -0.992 18.7-103.5-152.0 153.3 -9.7 -28.1 -13.1 84 84 A T B -H 36 0C 0 42,-1.9 -48,-0.3 -2,-0.3 -46,-0.1 -0.530 17.8-141.1 -76.7 144.9 -6.6 -26.1 -13.9 85 85 A L S S+ 0 0 49 -50,-2.8 -1,-0.1 -2,-0.2 -49,-0.1 0.882 85.3 77.2 -66.5 -38.8 -3.7 -27.8 -15.7 86 86 A E S S- 0 0 3 -51,-0.4 2,-0.5 40,-0.1 40,-0.5 -0.394 76.1-139.0 -73.9 146.2 -1.4 -25.8 -13.4 87 87 A L E -F 20 0B 23 -67,-2.8 -67,-2.4 38,-0.1 2,-0.4 -0.938 23.8-155.0-100.7 124.8 -0.6 -26.6 -9.8 88 88 A F E -FG 19 124B 0 36,-2.8 36,-2.6 -2,-0.5 2,-0.4 -0.813 13.9-171.4-103.7 139.4 -0.5 -23.3 -7.8 89 89 A T E -FG 18 123B 56 -71,-2.7 -71,-3.1 -2,-0.4 34,-0.2 -0.953 12.4-164.2-128.6 113.8 1.4 -22.8 -4.5 90 90 A L - 0 0 9 32,-3.0 -73,-0.1 -2,-0.4 2,-0.1 -0.727 14.1-129.3 -97.9 146.1 0.7 -19.5 -2.7 91 91 A P > - 0 0 22 0, 0.0 30,-1.3 0, 0.0 3,-0.9 -0.284 36.0 -98.4 -79.7 175.8 2.8 -17.9 0.0 92 92 A D T 3 S+ 0 0 73 28,-0.2 66,-3.1 1,-0.2 64,-0.1 0.482 117.3 53.4 -75.4 0.8 1.2 -16.7 3.3 93 93 A N T 3 S+ 0 0 51 64,-0.2 61,-2.5 62,-0.1 2,-0.3 0.248 97.1 62.9-125.6 13.7 1.1 -13.1 2.0 94 94 A L E < -D 153 0A 0 -3,-0.9 2,-0.3 59,-0.2 27,-0.2 -0.962 56.0-162.6-130.6 150.5 -0.7 -13.1 -1.4 95 95 A A E -D 152 0A 9 57,-2.4 57,-3.4 -2,-0.3 2,-0.2 -0.994 14.2-149.6-128.6 143.6 -4.2 -14.1 -2.3 96 96 A G E -DE 151 118A 0 22,-2.0 22,-2.8 -2,-0.3 2,-0.4 -0.603 7.9-148.9-107.1 166.4 -5.3 -14.9 -5.8 97 97 A R E -DE 150 117A 69 53,-2.3 53,-2.6 20,-0.2 2,-0.8 -0.996 8.8-152.3-127.6 132.7 -8.5 -14.6 -7.9 98 98 A L E +D 149 0A 1 18,-1.0 51,-0.2 -2,-0.4 18,-0.1 -0.819 29.0 173.9-105.9 92.7 -9.2 -17.2 -10.6 99 99 A E E -D 148 0A 73 49,-2.2 49,-1.9 -2,-0.8 13,-0.1 -0.306 28.8-112.5 -92.7 175.0 -11.3 -15.3 -13.1 100 100 A G - 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