==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-OCT-04 1XS4 . COMPND 2 MOLECULE: DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.JOHANSSON,M.FANO,J.H.BYNCK,J.NEUHARD,S.LARSEN, . 1158 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 758 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 294 25.4 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 0.5 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 . 111 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 0 2 4 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 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 0 0 0 PARALLEL BRIDGES PER LADDER . 18 24 12 6 0 6 0 6 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 . 6 6 0 11 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 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 X 0 0 83 0, 0.0 2,-0.3 0, 0.0 356,-0.2 0.000 360.0 360.0 360.0 124.3 -2.8 1.1 1.2 2 2 A R B -a 357 0A 7 354,-1.0 356,-2.0 159,-0.2 357,-0.3 -0.765 360.0-109.1-101.0 147.1 -1.8 4.4 3.0 3 3 A L - 0 0 4 157,-2.3 157,-0.3 -2,-0.3 2,-0.1 -0.510 31.5-136.1 -67.6 131.8 -1.1 7.7 1.3 4 4 A C > - 0 0 2 -2,-0.2 4,-2.0 155,-0.1 3,-0.3 -0.317 35.5 -90.8 -75.0 170.4 2.5 8.6 1.4 5 5 A D H > S+ 0 0 0 25,-1.9 4,-2.2 1,-0.2 5,-0.2 0.861 125.6 49.9 -53.8 -43.9 3.4 12.2 2.3 6 6 A R H > S+ 0 0 173 1,-0.2 4,-1.9 354,-0.2 -1,-0.2 0.853 112.2 49.7 -69.6 -30.4 3.5 13.6 -1.3 7 7 A D H > S+ 0 0 50 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.845 107.2 53.9 -78.3 -29.9 0.1 12.0 -1.9 8 8 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.933 110.2 47.6 -64.6 -44.0 -1.3 13.5 1.3 9 9 A E H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.891 110.6 52.5 -61.6 -41.0 -0.2 17.0 0.1 10 10 A A H X S+ 0 0 46 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.925 109.9 47.4 -64.8 -43.0 -1.7 16.3 -3.3 11 11 A W H X S+ 0 0 47 -4,-2.3 4,-1.3 2,-0.2 6,-0.9 0.840 112.3 50.0 -67.7 -33.7 -5.1 15.4 -1.7 12 12 A L H < S+ 0 0 18 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.899 109.7 51.1 -67.5 -40.1 -4.9 18.5 0.5 13 13 A D H < S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.932 108.9 51.4 -64.0 -44.4 -4.2 20.6 -2.6 14 14 A E H < S- 0 0 117 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.773 103.4-143.0 -57.8 -36.7 -7.3 19.0 -4.3 15 15 A G S < S+ 0 0 44 -4,-1.3 -3,-0.1 2,-0.3 -1,-0.1 0.171 72.4 104.3 96.1 -14.7 -9.3 20.0 -1.3 16 16 A R S S+ 0 0 106 -5,-0.3 2,-0.4 2,-0.0 -4,-0.1 0.766 87.3 50.2 -71.1 -28.6 -11.8 17.0 -0.7 17 17 A L S S+ 0 0 0 -6,-0.9 2,-0.3 82,-0.2 -2,-0.3 -0.912 84.5 177.2 -94.6 141.9 -9.6 15.9 2.2 18 18 A S E -B 98 0B 29 80,-2.7 80,-3.1 -2,-0.4 2,-0.4 -1.000 28.6-171.0-156.0 146.5 -8.9 18.8 4.5 19 19 A I E -B 97 0B 3 -2,-0.3 78,-0.2 78,-0.2 76,-0.0 -0.939 31.0-131.3-139.0 105.3 -7.0 19.6 7.8 20 20 A N E S+B 96 0B 93 76,-2.6 76,-2.9 -2,-0.4 2,-0.1 -0.936 96.3 27.0-114.7 122.4 -7.7 23.2 9.2 21 21 A P S S- 0 0 74 0, 0.0 -1,-0.2 0, 0.0 74,-0.0 0.601 101.6-132.9 -71.3 150.3 -5.3 24.7 10.0 22 22 A R - 0 0 113 -2,-0.1 -2,-0.1 1,-0.1 -4,-0.0 -0.552 18.7-125.7 -75.0 120.9 -3.1 22.9 7.6 23 23 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.327 31.1-106.2 -66.3 148.2 0.2 21.7 9.2 24 24 A P > - 0 0 76 0, 0.0 3,-1.5 0, 0.0 4,-0.1 0.010 36.3 -91.7 -69.1 177.8 3.4 22.8 7.4 25 25 A V G > S+ 0 0 74 1,-0.3 3,-1.2 2,-0.2 -16,-0.0 0.761 122.4 66.3 -61.6 -30.1 5.6 20.5 5.3 26 26 A E G 3 S+ 0 0 119 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.676 102.2 49.0 -63.9 -21.6 7.8 19.7 8.4 27 27 A R G < S+ 0 0 43 -3,-1.5 7,-2.6 1,-0.1 2,-0.5 0.297 98.1 73.1-105.0 7.6 4.8 17.9 10.0 28 28 A I E < +F 33 0C 0 -3,-1.2 2,-0.3 5,-0.2 5,-0.2 -0.950 64.8 133.3-125.5 108.5 3.8 15.8 7.0 29 29 A N E > -F 32 0C 6 3,-1.8 3,-2.6 -2,-0.5 2,-0.8 -0.971 55.9 -2.2-155.5 157.6 6.2 12.9 6.4 30 30 A G T 3 S- 0 0 2 333,-0.7 -25,-1.9 -2,-0.3 -24,-0.2 -0.445 127.5 -34.8 64.0-100.6 6.4 9.2 5.7 31 31 A A T 3 S+ 0 0 1 -2,-0.8 129,-0.4 -27,-0.3 2,-0.3 0.013 120.6 76.0-137.0 24.9 2.7 8.3 5.7 32 32 A T E < -F 29 0C 1 -3,-2.6 -3,-1.8 127,-0.1 2,-0.5 -0.928 58.1-144.6-141.5 159.2 1.4 10.6 8.4 33 33 A V E -FG 28 158C 0 125,-2.1 125,-2.6 -2,-0.3 -5,-0.2 -0.997 31.3-129.7-117.0 123.9 0.4 14.1 9.4 34 34 A D E - G 0 157C 15 -7,-2.6 2,-0.3 -2,-0.5 123,-0.3 -0.504 23.1-156.4 -69.4 141.1 1.2 15.1 12.9 35 35 A V E - G 0 156C 0 121,-2.4 120,-2.0 -2,-0.2 121,-1.6 -0.853 5.7-137.2-117.0 160.1 -1.7 16.6 14.9 36 36 A R E - G 0 154C 91 -2,-0.3 58,-1.7 118,-0.3 2,-0.3 -0.620 21.0 -96.2-113.3 168.9 -1.6 19.0 17.9 37 37 A L B -J 93 0D 1 116,-2.1 115,-3.1 113,-0.2 56,-0.2 -0.702 34.6-147.2 -92.4 137.6 -3.3 19.4 21.3 38 38 A G - 0 0 3 54,-2.6 56,-0.2 -2,-0.3 115,-0.1 -0.035 22.7-106.8 -89.0-167.1 -6.2 21.8 21.7 39 39 A N S S+ 0 0 57 54,-0.1 36,-1.0 112,-0.1 2,-0.4 0.166 83.4 89.2-114.7 17.9 -7.3 23.9 24.6 40 40 A K E +K 74 0E 68 34,-0.2 52,-0.4 52,-0.2 2,-0.3 -0.937 47.4 169.2-124.4 142.9 -10.4 22.1 25.9 41 41 A F E -K 73 0E 0 32,-1.6 32,-2.6 -2,-0.4 2,-0.4 -0.948 17.4-156.5-146.7 159.0 -10.7 19.3 28.4 42 42 A R B -C 90 0B 47 48,-1.9 48,-2.3 -2,-0.3 2,-0.2 -0.999 8.0-171.5-142.2 141.3 -13.1 17.2 30.5 43 43 A T - 0 0 24 28,-0.4 27,-2.5 -2,-0.4 2,-0.4 -0.732 25.0-107.1-120.7 176.4 -12.7 15.2 33.7 44 44 A F B -L 69 0F 25 44,-0.4 2,-0.6 -2,-0.2 25,-0.2 -0.844 9.5-158.0-111.8 143.1 -15.0 12.8 35.7 45 45 A R > + 0 0 98 23,-2.5 3,-1.3 -2,-0.4 4,-0.1 -0.819 18.9 174.0-117.2 83.2 -16.8 13.4 38.9 46 46 A G G > + 0 0 12 -2,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.725 64.2 78.1 -67.9 -20.0 -17.3 9.8 40.1 47 47 A H G 3 S+ 0 0 40 1,-0.3 811,-2.1 -3,-0.1 -1,-0.3 0.551 85.8 61.1 -73.1 -5.7 -18.7 10.7 43.4 48 48 A T G < S+ 0 0 34 -3,-1.3 2,-0.3 809,-0.2 -1,-0.3 0.432 108.5 32.7 -96.9 -7.8 -22.2 11.6 41.9 49 49 A A < - 0 0 5 -3,-1.5 3,-0.1 809,-0.2 -1,-0.1 -0.996 58.8-142.7-146.5 157.5 -23.0 8.1 40.5 50 50 A A S S- 0 0 7 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.822 80.5 -33.4 -83.7 -35.6 -22.5 4.4 41.2 51 51 A F - 0 0 55 482,-0.1 2,-0.5 421,-0.0 -1,-0.3 -0.973 55.3-104.7-170.4 174.3 -22.1 3.4 37.6 52 52 A I E -m 535 0G 0 482,-2.1 484,-2.6 -2,-0.3 2,-1.0 -0.992 23.1-143.9-121.5 123.7 -23.2 4.0 34.0 53 53 A D E > -m 536 0G 27 -2,-0.5 3,-1.5 482,-0.2 484,-0.1 -0.763 12.5-158.9 -84.8 100.3 -25.6 1.5 32.4 54 54 A L T 3 S+ 0 0 3 482,-1.5 -1,-0.2 -2,-1.0 483,-0.1 0.801 87.6 19.4 -58.4 -35.5 -24.2 1.4 28.9 55 55 A S T 3 S+ 0 0 49 481,-0.5 -1,-0.3 -3,-0.1 3,-0.1 -0.432 99.3 117.6-132.3 57.7 -27.5 0.1 27.4 56 56 A G S < S- 0 0 22 -3,-1.5 5,-0.1 1,-0.2 482,-0.0 -0.486 78.7 -40.1-106.8-176.3 -30.0 1.0 30.0 57 57 A P > - 0 0 76 0, 0.0 4,-1.1 0, 0.0 3,-0.3 -0.199 58.0-128.3 -54.5 134.1 -33.0 3.4 29.8 58 58 A K H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.834 101.6 49.0 -56.0 -45.0 -32.1 6.5 27.8 59 59 A D H > S+ 0 0 141 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 111.7 48.7 -67.7 -38.9 -33.2 9.3 30.2 60 60 A E H > S+ 0 0 141 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.669 113.0 48.7 -71.1 -25.2 -31.4 7.7 33.3 61 61 A V H X S+ 0 0 5 -4,-1.1 4,-2.0 -3,-0.3 -2,-0.2 0.780 111.3 48.7 -85.6 -34.4 -28.1 7.3 31.2 62 62 A S H X S+ 0 0 35 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.842 112.9 49.3 -68.6 -35.3 -28.3 10.9 30.0 63 63 A A H X S+ 0 0 40 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.907 112.4 47.1 -69.2 -44.2 -28.9 12.0 33.6 64 64 A A H X S+ 0 0 9 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.877 110.7 51.4 -64.8 -42.6 -25.9 10.0 34.9 65 65 A L H X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.882 109.2 51.0 -61.2 -42.3 -23.6 11.2 32.1 66 66 A D H < S+ 0 0 116 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.826 111.1 49.3 -64.6 -30.5 -24.5 14.9 32.9 67 67 A R H < S+ 0 0 110 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.4 40.8 -78.5 -40.2 -23.7 14.3 36.6 68 68 A V H < S+ 0 0 0 -4,-2.1 -23,-2.5 -5,-0.1 2,-0.5 0.705 97.1 85.3 -83.8 -21.6 -20.3 12.7 36.1 69 69 A X B < S-L 44 0F 10 -4,-1.8 -25,-0.2 -25,-0.2 3,-0.1 -0.705 72.9-139.3 -84.9 127.3 -18.9 14.9 33.3 70 70 A S - 0 0 11 -27,-2.5 3,-0.1 -2,-0.5 2,-0.1 -0.276 33.2 -98.3 -64.3 163.1 -17.2 18.1 34.5 71 71 A D - 0 0 135 1,-0.2 -28,-0.4 -29,-0.1 2,-0.2 -0.330 62.4 -65.6 -79.5 175.5 -18.0 21.1 32.4 72 72 A E - 0 0 71 -30,-0.1 2,-0.5 -3,-0.1 -30,-0.2 -0.420 46.1-142.5 -71.1 135.3 -15.4 22.0 29.8 73 73 A I E -K 41 0E 32 -32,-2.6 -32,-1.6 -2,-0.2 2,-0.6 -0.875 13.3-169.8-100.2 125.3 -12.0 23.2 31.1 74 74 A V E -K 40 0E 86 -2,-0.5 2,-0.3 -34,-0.2 -34,-0.2 -0.975 21.7-133.7-116.2 112.3 -10.4 25.9 29.0 75 75 A L - 0 0 13 -36,-1.0 3,-0.1 -2,-0.6 6,-0.1 -0.550 16.3-133.2 -74.7 135.5 -6.7 26.4 30.0 76 76 A D > - 0 0 111 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 -0.093 50.5 -48.5 -75.5 176.1 -5.4 30.0 30.6 77 77 A E T 3 S- 0 0 202 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.194 125.0 -5.9 -56.6 125.4 -2.1 31.5 29.2 78 78 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.702 102.1 138.1 64.4 21.2 0.9 29.3 29.9 79 79 A E < - 0 0 67 -3,-1.9 2,-0.3 -4,-0.0 -1,-0.2 -0.662 39.1-147.2-101.9 153.3 -1.2 26.9 31.9 80 80 A A - 0 0 6 -2,-0.3 2,-0.5 70,-0.1 70,-0.2 -0.816 13.5-131.0-119.6 153.2 -1.0 23.1 31.8 81 81 A F E -O 149 0H 3 68,-2.7 68,-3.1 -2,-0.3 2,-0.8 -0.939 27.1-144.5 -99.6 124.0 -3.4 20.1 32.3 82 82 A Y E -O 148 0H 45 741,-2.0 2,-0.8 -2,-0.5 66,-0.2 -0.820 10.1-162.3 -97.2 105.7 -1.8 17.6 34.7 83 83 A L E -O 147 0H 2 64,-2.5 64,-1.9 -2,-0.8 3,-0.1 -0.803 12.3-159.4 -90.2 104.3 -2.7 14.0 33.7 84 84 A H > - 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