==== 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 1XS6 . 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) . 41190.0 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 . 34 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 292 25.2 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 . 106 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 10.5 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 . 10 0.9 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 1 5 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 2 4 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 . 8 6 0 12 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 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 59 0, 0.0 356,-0.2 0, 0.0 389,-0.1 0.000 360.0 360.0 360.0 86.6 39.8 -2.9 45.9 2 2 A R B -a 357 0A 7 354,-0.7 356,-1.7 159,-0.2 2,-0.3 -0.447 360.0-102.0 -65.3 149.5 42.3 -5.7 45.0 3 3 A L - 0 0 3 157,-3.0 157,-0.3 354,-0.2 -1,-0.1 -0.558 35.4-131.2 -67.6 133.7 40.7 -8.9 43.9 4 4 A C > - 0 0 1 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.363 33.3 -95.1 -75.6 166.9 40.6 -11.5 46.6 5 5 A D H > S+ 0 0 0 25,-3.1 4,-2.4 1,-0.2 3,-0.2 0.940 126.5 54.0 -46.2 -51.9 41.9 -15.0 45.8 6 6 A R H > S+ 0 0 134 1,-0.2 4,-1.6 24,-0.2 -1,-0.2 0.882 111.4 44.8 -53.2 -41.9 38.3 -16.2 45.1 7 7 A D H > S+ 0 0 22 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.802 106.3 59.1 -80.0 -27.7 37.8 -13.3 42.6 8 8 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 -3,-0.2 5,-0.2 0.961 108.2 48.6 -57.3 -47.9 41.2 -13.9 40.9 9 9 A E H X S+ 0 0 32 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.905 109.5 50.8 -54.4 -45.5 39.9 -17.4 40.2 10 10 A A H X S+ 0 0 41 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.843 109.8 49.5 -69.9 -37.9 36.6 -16.2 38.8 11 11 A W H X>S+ 0 0 42 -4,-2.0 5,-2.1 2,-0.2 4,-2.0 0.930 113.0 46.9 -61.5 -47.7 38.3 -13.7 36.4 12 12 A L H <5S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.869 114.0 49.9 -61.1 -37.1 40.7 -16.5 35.2 13 13 A D H <5S+ 0 0 105 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.881 112.1 45.2 -66.9 -44.3 37.6 -18.7 34.8 14 14 A E H <5S- 0 0 139 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.807 112.8-120.2 -67.0 -32.2 35.5 -16.1 32.8 15 15 A G T <5S+ 0 0 54 -4,-2.0 -3,-0.2 2,-0.2 -4,-0.1 0.636 79.9 123.9 94.1 20.3 38.6 -15.4 30.7 16 16 A R S - 0 0 70 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.224 34.5 -91.9 -71.1 168.5 47.4 -24.0 40.9 25 25 A V G > S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 -16,-0.0 0.805 123.0 66.3 -47.7 -38.5 45.0 -23.2 43.8 26 26 A E G 3 S+ 0 0 123 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.637 103.2 44.5 -65.1 -19.0 47.9 -23.5 46.2 27 27 A R G < S+ 0 0 41 -3,-2.2 7,-2.2 1,-0.1 2,-0.6 0.258 98.9 80.3-104.1 7.0 49.6 -20.4 44.7 28 28 A I E < +F 33 0C 1 -3,-1.6 2,-0.3 -4,-0.3 5,-0.2 -0.893 66.0 135.5-113.6 102.7 46.4 -18.3 44.6 29 29 A N E > -F 32 0C 6 3,-1.7 3,-2.9 -2,-0.6 2,-0.7 -0.972 54.8 -10.2-152.7 156.9 45.7 -16.9 48.0 30 30 A G T 3 S- 0 0 2 333,-0.7 -25,-3.1 -2,-0.3 -24,-0.2 -0.427 126.6 -34.2 58.3-101.6 44.7 -13.9 50.0 31 31 A A T 3 S+ 0 0 0 -2,-0.7 129,-0.4 -27,-0.3 2,-0.3 0.087 121.2 75.1-133.5 17.1 44.8 -11.2 47.3 32 32 A T E < -F 29 0C 0 -3,-2.9 -3,-1.7 127,-0.1 2,-0.4 -0.850 57.8-145.2-133.2 162.6 47.8 -12.5 45.2 33 33 A V E -FG 28 158C 0 125,-2.0 125,-3.1 -2,-0.3 -5,-0.2 -0.997 30.3-129.0-121.0 125.8 49.0 -15.0 42.7 34 34 A D E - G 0 157C 13 -7,-2.2 2,-0.3 -2,-0.4 123,-0.3 -0.441 22.7-158.9 -69.1 144.2 52.6 -16.2 43.1 35 35 A V E - G 0 156C 0 121,-2.1 120,-1.7 -2,-0.1 121,-1.1 -0.815 7.7-134.1-120.0 163.2 54.8 -16.0 40.0 36 36 A R E - G 0 154C 84 -2,-0.3 58,-2.7 118,-0.2 59,-0.4 -0.781 22.2 -95.8-120.0 163.9 58.0 -18.0 39.3 37 37 A L B -J 93 0D 0 116,-2.3 115,-2.1 -2,-0.3 56,-0.2 -0.546 35.2-142.5 -80.9 140.3 61.5 -17.2 37.9 38 38 A G - 0 0 2 54,-3.4 56,-0.2 -2,-0.2 115,-0.2 0.041 20.0-114.9 -81.4-165.2 62.2 -17.8 34.1 39 39 A N S S+ 0 0 67 54,-0.2 36,-1.5 112,-0.1 2,-0.4 0.261 83.0 95.4-119.2 14.0 65.4 -19.1 32.6 40 40 A K E +K 74 0E 56 34,-0.2 52,-0.4 52,-0.2 2,-0.3 -0.902 47.9 168.6-111.6 131.2 66.4 -15.9 30.7 41 41 A F E -K 73 0E 0 32,-2.1 32,-3.1 -2,-0.4 2,-0.3 -0.894 17.4-162.7-136.6 159.9 68.9 -13.4 32.1 42 42 A R B -C 90 0B 48 48,-2.1 48,-2.9 -2,-0.3 2,-0.2 -0.988 6.6-170.6-146.6 139.1 70.9 -10.4 31.1 43 43 A T - 0 0 48 28,-0.4 27,-2.7 -2,-0.3 2,-0.3 -0.602 24.1-104.3-117.8-176.4 73.9 -8.6 32.7 44 44 A F B -L 69 0F 26 44,-0.3 2,-0.5 25,-0.2 25,-0.2 -0.837 9.4-156.1-116.8 144.9 75.8 -5.3 32.0 45 45 A R > + 0 0 103 23,-3.3 3,-1.2 -2,-0.3 4,-0.2 -0.825 18.3 173.8-118.4 86.3 79.2 -4.6 30.4 46 46 A G G > + 0 0 30 -2,-0.5 3,-1.5 1,-0.2 -1,-0.1 0.771 66.4 74.8 -68.5 -28.3 80.2 -1.2 31.9 47 47 A H G 3 S+ 0 0 173 1,-0.2 -1,-0.2 21,-0.1 21,-0.1 0.569 89.2 63.5 -64.7 -8.8 83.7 -1.1 30.4 48 48 A T G < S+ 0 0 45 -3,-1.2 2,-0.3 1,-0.1 -1,-0.2 0.529 107.6 28.0 -92.9 -14.0 82.1 -0.3 26.9 49 49 A A < - 0 0 21 -3,-1.5 -1,-0.1 -4,-0.2 3,-0.1 -0.994 58.7-142.2-146.1 157.1 80.5 3.1 27.7 50 50 A A S S- 0 0 81 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.883 81.5 -26.2 -80.2 -43.3 81.0 6.1 30.0 51 51 A F - 0 0 76 482,-0.2 2,-0.5 421,-0.0 -1,-0.3 -0.923 57.4-111.9-158.0 173.8 77.3 6.8 30.7 52 52 A I E -m 535 0G 1 482,-2.2 484,-2.2 -2,-0.3 2,-0.9 -0.996 23.8-141.0-121.4 122.5 73.8 6.4 29.2 53 53 A D E > -m 536 0G 20 -2,-0.5 3,-1.2 482,-0.2 484,-0.1 -0.778 10.7-159.1 -83.3 108.0 72.1 9.6 28.2 54 54 A L T 3 S+ 0 0 4 482,-1.5 -1,-0.2 -2,-0.9 483,-0.1 0.777 89.7 20.8 -64.7 -25.2 68.5 8.9 29.3 55 55 A S T 3 S+ 0 0 54 481,-0.3 -1,-0.3 -3,-0.1 3,-0.1 -0.132 99.2 117.9-135.3 40.6 67.1 11.6 26.9 56 56 A G S < S- 0 0 23 -3,-1.2 2,-0.0 1,-0.2 482,-0.0 -0.161 76.9 -43.5 -94.3-172.1 69.9 12.0 24.3 57 57 A P > - 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.322 56.0-125.5 -60.4 135.0 70.0 11.4 20.5 58 58 A K H > S+ 0 0 109 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.806 105.6 49.6 -54.9 -37.2 68.3 8.2 19.7 59 59 A D H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.940 112.4 45.3 -71.7 -48.8 71.2 6.7 17.7 60 60 A E H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.942 116.1 47.7 -55.8 -50.3 73.9 7.4 20.4 61 61 A V H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.938 112.3 48.8 -59.4 -51.1 71.5 6.0 23.1 62 62 A S H X S+ 0 0 23 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.916 112.4 48.5 -53.3 -49.6 70.7 2.9 21.1 63 63 A A H X S+ 0 0 40 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.913 110.7 50.0 -59.6 -46.6 74.4 2.2 20.4 64 64 A A H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.943 110.3 51.2 -56.5 -46.8 75.4 2.6 24.1 65 65 A L H X S+ 0 0 5 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.890 110.1 49.1 -58.4 -43.4 72.5 0.2 25.1 66 66 A D H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.892 113.5 46.7 -63.6 -39.8 73.7 -2.4 22.6 67 67 A R H < S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.914 115.7 44.5 -66.6 -44.2 77.3 -2.1 23.9 68 68 A V H < S+ 0 0 0 -4,-2.7 -23,-3.3 -5,-0.2 2,-0.4 0.717 97.1 82.4 -80.4 -26.0 76.4 -2.3 27.6 69 69 A M B < S-L 44 0F 12 -4,-1.8 -25,-0.2 -25,-0.2 3,-0.1 -0.682 72.2-135.7 -84.2 131.1 73.9 -5.1 27.5 70 70 A S - 0 0 13 -27,-2.7 3,-0.1 -2,-0.4 -1,-0.1 -0.278 33.8 -90.1 -64.2 162.9 75.1 -8.8 27.5 71 71 A D - 0 0 132 1,-0.1 -28,-0.4 -29,-0.1 2,-0.4 -0.279 60.8 -79.0 -61.0 161.3 73.7 -11.4 25.3 72 72 A E - 0 0 48 -30,-0.1 2,-0.4 -3,-0.1 -30,-0.2 -0.594 46.4-141.7 -70.0 124.7 70.7 -13.3 26.8 73 73 A I E -K 41 0E 54 -32,-3.1 -32,-2.1 -2,-0.4 2,-0.5 -0.769 13.2-165.8 -91.2 129.3 71.9 -15.9 29.2 74 74 A V E -K 40 0E 80 -2,-0.4 2,-0.3 -34,-0.2 -34,-0.2 -0.967 22.5-127.6-117.6 115.2 69.9 -19.3 29.2 75 75 A L - 0 0 16 -36,-1.5 3,-0.1 -2,-0.5 4,-0.1 -0.428 15.7-128.0 -75.4 128.8 70.6 -21.4 32.2 76 76 A D > - 0 0 113 -2,-0.3 3,-2.3 1,-0.2 -1,-0.1 -0.178 51.7 -67.7 -60.6 162.4 71.7 -25.1 31.7 77 77 A E T 3 S+ 0 0 197 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.328 125.1 7.2 -60.1 132.6 69.7 -27.8 33.6 78 78 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.663 100.6 139.8 65.5 20.1 70.3 -27.4 37.4 79 79 A E < - 0 0 85 -3,-2.3 2,-0.3 -4,-0.1 -1,-0.2 -0.703 38.5-151.7 -96.9 145.7 72.3 -24.2 36.8 80 80 A A - 0 0 8 -2,-0.3 2,-0.5 70,-0.1 70,-0.2 -0.799 12.7-133.4-108.0 156.0 72.0 -21.2 39.0 81 81 A F E -O 149 0H 21 68,-2.6 68,-3.1 -2,-0.3 2,-0.8 -0.954 25.0-140.9-100.5 125.7 72.5 -17.5 38.3 82 82 A Y E -O 148 0H 110 -2,-0.5 2,-0.8 66,-0.2 66,-0.2 -0.810 13.4-164.2 -95.0 109.6 74.7 -16.0 41.0 83 83 A L E -O 147 0H 1 64,-2.8 64,-2.3 -2,-0.8 3,-0.1 -0.864 11.9-157.6 -95.1 110.3 73.4 -12.5 41.9 84 84 A H > - 0 0 96 -2,-0.8 3,-1.7 62,-0.2 57,-0.4 -0.528 30.6 -86.2 -87.4 150.4 76.2 -10.8 43.8 85 85 A P T 3 S+ 0 0 46 0, 0.0 57,-0.2 0, 0.0 -1,-0.1 -0.297 116.4 23.4 -50.0 136.7 75.6 -7.8 46.3 86 86 A G T 3 S+ 0 0 29 55,-3.0 2,-0.4 1,-0.3 56,-0.1 0.440 97.2 124.4 86.1 2.0 75.6 -4.5 44.4 87 87 A E < - 0 0 65 -3,-1.7 54,-1.5 54,-0.3 2,-0.5 -0.797 46.5-157.5-108.5 133.7 74.7 -6.1 41.1 88 88 A L E + D 0 140B 3 -2,-0.4 2,-0.3 52,-0.2 -44,-0.3 -0.921 23.4 168.2-100.6 133.0 71.7 -5.3 38.8 89 89 A A E - D 0 139B 1 50,-1.8 50,-2.6 -2,-0.5 2,-0.3 -0.956 28.2-126.4-141.5 160.0 70.6 -8.0 36.5 90 90 A L E +CD 42 138B 0 -48,-2.9 -48,-2.1 -2,-0.3 2,-0.2 -0.830 34.7 151.6-108.7 147.9 67.6 -8.7 34.2 91 91 A A E - D 0 137B 0 46,-2.0 46,-2.4 -2,-0.3 2,-0.3 -0.795 28.1-126.6-151.1-168.7 65.5 -11.8 34.3 92 92 A V E - D 0 136B 7 -52,-0.4 -54,-3.4 44,-0.3 44,-0.2 -0.988 21.3-101.1-151.2 152.9 61.9 -12.8 33.5 93 93 A T E -J 37 0D 3 42,-2.3 -56,-0.3 -2,-0.3 -54,-0.2 -0.393 22.2-133.2 -65.6 152.3 58.8 -14.5 34.9 94 94 A L E S+ 0 0 85 -58,-2.7 2,-0.2 -56,-0.2 -1,-0.1 0.934 88.4 71.5 -64.7 -43.5 58.0 -18.0 34.0 95 95 A E E S- 0 0 12 -59,-0.4 40,-0.6 -57,-0.0 2,-0.5 -0.409 70.7-144.8 -85.9 141.0 54.4 -16.9 33.5 96 96 A S E -BD 20 134B 30 -76,-2.3 -76,-2.5 38,-0.2 2,-0.4 -0.891 21.5-161.3 -94.2 135.0 52.9 -14.8 30.8 97 97 A V E -BD 19 133B 1 36,-2.3 36,-2.1 -2,-0.5 2,-0.4 -0.953 7.9-164.3-118.0 137.7 50.0 -12.6 32.1 98 98 A T E -BD 18 132B 47 -80,-3.0 -80,-2.1 -2,-0.4 34,-0.2 -0.992 8.4-164.9-122.5 123.4 47.3 -11.0 30.0 99 99 A L - 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