==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUN-10 3NM4 . COMPND 2 MOLECULE: MTA/SAH NUCLEOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR D.R.RONNING,N.M.IACOPELLI . 451 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 10.0 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 . 4 0.9 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 . 26 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 0 0 0 1 0 1 4 0 3 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 2 2 1 0 3 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 3 3 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 1 0 0 0 1 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 2 A Q 0 0 76 0, 0.0 42,-2.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.2 15.2 -12.4 6.3 2 3 A K E -a 43 0A 75 40,-0.2 68,-3.1 66,-0.2 69,-0.6 -0.988 360.0-170.3-125.5 126.2 13.8 -15.4 4.5 3 4 A I E -ab 44 71A 0 40,-2.7 42,-2.5 -2,-0.5 2,-0.4 -0.957 11.3-148.0-120.7 128.9 15.1 -18.9 5.2 4 5 A G E -ab 45 72A 0 67,-3.0 69,-2.8 -2,-0.5 2,-0.5 -0.805 10.8-166.8 -94.0 136.7 14.4 -22.0 3.2 5 6 A I E -ab 46 73A 0 40,-3.1 42,-1.9 -2,-0.4 2,-0.4 -0.982 12.1-173.1-127.7 120.1 14.2 -25.3 5.0 6 7 A L E +ab 47 74A 0 67,-2.5 69,-3.0 -2,-0.5 2,-0.3 -0.883 16.4 169.7-121.5 142.1 14.2 -28.4 2.9 7 8 A G E -a 48 0A 0 40,-1.7 42,-2.5 -2,-0.4 43,-0.2 -0.845 32.3-132.9-129.5 174.6 13.8 -32.2 3.4 8 9 A A S S+ 0 0 1 67,-0.3 42,-1.9 -2,-0.3 2,-0.3 0.759 86.0 34.5 -95.5 -32.0 13.4 -34.9 0.8 9 10 A M S >> S- 0 0 35 40,-0.1 3,-1.3 41,-0.1 4,-0.9 -0.851 81.7-112.9-124.8 158.6 10.4 -36.7 2.4 10 11 A R H >> S+ 0 0 142 -2,-0.3 4,-2.2 1,-0.3 3,-1.0 0.902 116.4 58.8 -52.6 -43.9 7.3 -35.8 4.4 11 12 A E H 34 S+ 0 0 92 1,-0.3 -1,-0.3 2,-0.2 65,-0.0 0.730 101.4 56.2 -60.9 -23.5 8.8 -37.6 7.5 12 13 A E H <4 S+ 0 0 5 -3,-1.3 4,-0.3 1,-0.1 -1,-0.3 0.759 114.3 36.0 -82.0 -23.4 11.8 -35.3 7.4 13 14 A I H S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.838 110.8 55.8 -64.2 -29.4 9.2 -32.6 13.0 16 17 A I H > S+ 0 0 1 -4,-0.3 4,-2.0 2,-0.2 5,-0.2 0.946 108.2 45.2 -64.0 -49.2 10.4 -29.3 11.5 17 18 A L H X S+ 0 0 36 -4,-2.6 4,-1.5 1,-0.2 5,-0.4 0.903 116.0 48.7 -62.9 -37.9 6.9 -27.9 11.2 18 19 A E H < S+ 0 0 137 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.906 108.5 51.9 -68.0 -44.2 6.1 -29.1 14.7 19 20 A L H < S+ 0 0 50 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 109.2 49.1 -63.7 -39.2 9.2 -27.7 16.3 20 21 A F H < S- 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.869 88.6-164.3 -68.9 -35.0 8.7 -24.2 14.9 21 22 A G < + 0 0 61 -4,-1.5 2,-0.2 -5,-0.2 -3,-0.1 0.682 39.5 123.0 63.9 22.6 5.1 -24.4 16.2 22 23 A V S S- 0 0 41 -5,-0.4 2,-0.2 1,-0.1 -1,-0.2 -0.610 70.3 -86.7-107.3 170.7 3.8 -21.4 14.1 23 24 A D - 0 0 157 -2,-0.2 15,-0.5 15,-0.2 2,-0.4 -0.564 43.3-156.8 -73.2 140.2 0.9 -21.2 11.6 24 25 A F - 0 0 46 -2,-0.2 2,-0.5 13,-0.1 13,-0.2 -0.979 10.8-142.8-122.4 134.0 1.9 -22.0 8.0 25 26 A E E -C 36 0A 115 11,-2.8 11,-2.8 -2,-0.4 2,-0.5 -0.802 23.1-135.4 -86.5 129.8 0.3 -21.0 4.8 26 27 A E E -C 35 0A 137 -2,-0.5 9,-0.2 9,-0.2 7,-0.0 -0.784 24.2-177.4 -91.5 125.3 0.3 -23.8 2.2 27 28 A I E -C 34 0A 38 7,-2.7 7,-2.9 -2,-0.5 2,-0.3 -0.961 14.4-146.8-127.9 115.7 1.3 -22.7 -1.3 28 29 A P E +C 33 0A 106 0, 0.0 2,-0.3 0, 0.0 5,-0.2 -0.610 29.4 152.4 -82.5 140.6 1.4 -25.1 -4.2 29 30 A L E > -C 32 0A 50 3,-2.4 3,-2.0 -2,-0.3 386,-0.1 -0.840 63.9 -9.0-166.2 129.0 3.9 -24.7 -7.0 30 31 A G T 3 S- 0 0 8 1,-0.3 385,-0.2 -2,-0.3 384,-0.1 0.760 127.3 -51.2 58.1 29.8 5.6 -27.1 -9.5 31 32 A G T 3 S+ 0 0 47 1,-0.3 2,-0.3 383,-0.2 -1,-0.3 0.516 119.9 101.6 87.1 4.4 4.3 -30.2 -7.8 32 33 A N E < -C 29 0A 8 -3,-2.0 -3,-2.4 382,-0.1 2,-0.5 -0.820 64.1-138.0-113.9 159.1 5.5 -29.1 -4.3 33 34 A V E -C 28 0A 63 15,-0.3 2,-0.4 -2,-0.3 15,-0.4 -0.985 18.6-156.5-115.2 123.1 3.7 -27.6 -1.4 34 35 A F E -C 27 0A 0 -7,-2.9 -7,-2.7 -2,-0.5 2,-0.7 -0.853 5.7-147.7-100.6 133.1 5.6 -24.8 0.4 35 36 A H E -CD 26 46A 21 11,-3.3 11,-2.6 -2,-0.4 2,-0.5 -0.900 16.5-165.6-102.3 110.9 4.8 -24.0 4.0 36 37 A K E +CD 25 45A 72 -11,-2.8 -11,-2.8 -2,-0.7 2,-0.3 -0.872 18.9 154.3-105.4 122.2 5.3 -20.3 4.6 37 38 A G E - D 0 44A 5 7,-2.7 7,-2.8 -2,-0.5 2,-0.5 -0.895 39.8-121.8-138.6 167.5 5.4 -19.0 8.2 38 39 A V E + D 0 43A 98 -15,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.971 28.2 176.5-112.8 129.4 6.8 -16.2 10.3 39 40 A Y E > - D 0 42A 21 3,-3.2 3,-1.0 -2,-0.5 -18,-0.0 -0.942 68.7 -30.9-136.5 107.8 9.1 -17.2 13.2 40 41 A H T 3 S- 0 0 138 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.926 125.0 -43.8 47.2 58.6 10.7 -14.4 15.3 41 42 A N T 3 S+ 0 0 161 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.699 119.9 109.5 62.6 18.3 10.9 -11.8 12.5 42 43 A K E < - D 0 39A 18 -3,-1.0 -3,-3.2 -40,-0.0 2,-0.6 -0.976 65.4-137.5-118.6 139.8 12.1 -14.4 10.1 43 44 A E E -aD 2 38A 41 -42,-2.9 -40,-2.7 -2,-0.4 2,-0.4 -0.865 24.4-162.7 -90.2 126.1 10.1 -15.7 7.2 44 45 A I E -aD 3 37A 0 -7,-2.8 -7,-2.7 -2,-0.6 2,-0.5 -0.936 9.9-165.3-113.7 136.7 10.5 -19.5 6.9 45 46 A I E -aD 4 36A 0 -42,-2.5 -40,-3.1 -2,-0.4 2,-0.4 -0.981 13.4-174.4-122.0 115.9 9.7 -21.5 3.9 46 47 A V E +aD 5 35A 0 -11,-2.6 -11,-3.3 -2,-0.5 2,-0.3 -0.922 13.6 146.4-117.6 136.3 9.5 -25.3 4.5 47 48 A A E -a 6 0A 0 -42,-1.9 -40,-1.7 -2,-0.4 2,-0.4 -0.986 39.6-129.3-155.6 156.3 9.0 -28.0 1.9 48 49 A Y E -a 7 0A 28 -15,-0.4 -15,-0.3 -2,-0.3 -40,-0.3 -0.944 16.0-155.9-105.0 141.3 9.9 -31.6 1.1 49 50 A S - 0 0 0 -42,-2.5 -41,-0.2 -2,-0.4 -40,-0.1 0.773 35.2-115.8 -82.5 -25.2 11.2 -32.1 -2.4 50 51 A K - 0 0 15 -42,-1.9 -1,-0.2 -43,-0.2 -41,-0.1 -0.136 55.1 -48.6 83.5 160.2 10.5 -35.8 -2.9 51 52 A I S S+ 0 0 24 293,-0.4 4,-0.4 -2,-0.1 3,-0.1 -0.318 92.6 20.8 -76.3 141.3 13.4 -38.1 -3.4 52 53 A G S > S- 0 0 1 1,-0.1 4,-2.3 2,-0.1 5,-0.2 -0.210 87.7 -62.4 106.7 175.8 16.3 -37.7 -5.7 53 54 A K H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.879 123.9 46.2 -73.1 -41.8 18.3 -35.3 -7.8 54 55 A V H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.956 115.2 47.6 -67.1 -48.2 15.7 -34.0 -10.2 55 56 A H H > S+ 0 0 7 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.942 115.9 43.4 -55.0 -51.6 13.1 -33.5 -7.5 56 57 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.860 112.3 52.6 -69.3 -33.3 15.5 -31.7 -5.1 57 58 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.946 111.9 47.2 -63.9 -46.8 17.0 -29.5 -7.9 58 59 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.956 113.8 45.9 -58.5 -53.7 13.5 -28.4 -8.9 59 60 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.879 111.8 50.8 -63.2 -39.3 12.3 -27.6 -5.4 60 61 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 109.9 50.6 -64.0 -43.2 15.5 -25.7 -4.4 61 62 A T H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.4 0.910 110.6 50.3 -59.8 -42.0 15.2 -23.6 -7.5 62 63 A S H X>S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-1.2 0.927 108.0 52.6 -62.3 -43.9 11.6 -22.9 -6.6 63 64 A M H <5S+ 0 0 0 -4,-2.6 6,-1.8 3,-0.2 4,-0.5 0.911 117.1 38.8 -57.0 -43.3 12.6 -21.9 -3.1 64 65 A I H X5S+ 0 0 17 -4,-2.1 4,-0.8 4,-0.2 -2,-0.2 0.951 126.4 31.3 -74.8 -51.4 15.1 -19.4 -4.4 65 66 A L H <5S+ 0 0 57 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.881 129.3 32.8 -78.9 -42.0 13.3 -17.9 -7.5 66 67 A A T <5S+ 0 0 50 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.1 0.799 133.0 27.1 -87.3 -31.2 9.7 -18.1 -6.4 67 68 A F T 4 S- 0 0 32 87,-0.6 3,-1.8 3,-0.2 -1,-0.0 -0.973 77.8-127.3-136.2 146.7 32.2 -45.0 8.2 83 84 A K T 3 S+ 0 0 195 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.768 106.9 59.9 -62.8 -26.4 32.5 -46.8 11.6 84 85 A D T 3 S+ 0 0 95 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.523 91.1 75.8 -83.9 -4.0 32.5 -43.5 13.6 85 86 A L S < S- 0 0 4 -3,-1.8 -3,-0.2 84,-0.1 2,-0.2 -0.899 70.3-179.5-105.2 103.0 29.1 -42.5 12.2 86 87 A K > - 0 0 122 -2,-0.7 3,-2.5 1,-0.2 109,-0.4 -0.521 42.7 -65.7 -95.9 165.6 26.6 -44.6 14.0 87 88 A I T 3 S+ 0 0 47 1,-0.3 109,-0.2 -2,-0.2 -1,-0.2 -0.255 125.7 17.2 -48.7 132.6 22.8 -44.7 13.7 88 89 A N T 3 S+ 0 0 45 107,-2.9 -1,-0.3 1,-0.3 108,-0.1 0.145 93.0 135.1 85.2 -14.3 21.4 -41.3 14.8 89 90 A D < - 0 0 49 -3,-2.5 106,-2.4 105,-0.1 2,-0.3 -0.297 51.6-125.3 -65.9 149.5 24.7 -39.5 14.6 90 91 A L E -gH 141 194A 10 50,-0.6 52,-2.3 104,-0.2 2,-0.4 -0.744 25.2-176.5-100.3 144.4 24.8 -36.1 13.0 91 92 A L E -gH 142 193A 0 102,-2.3 102,-2.4 -2,-0.3 2,-0.5 -0.999 14.8-154.0-137.4 136.9 27.0 -35.0 10.1 92 93 A V E -gH 143 192A 1 50,-2.8 52,-1.7 -2,-0.4 2,-0.7 -0.957 25.5-129.1-107.5 129.7 27.3 -31.7 8.4 93 94 A A E +g 144 0A 0 98,-2.5 98,-0.5 -2,-0.5 52,-0.2 -0.689 28.5 175.5 -84.1 116.9 28.4 -31.9 4.8 94 95 A T E S+ 0 0 44 50,-2.1 28,-1.2 -2,-0.7 2,-0.3 0.754 77.3 14.5 -88.7 -26.2 31.4 -29.7 4.0 95 96 A Q E S-gI 145 121A 66 49,-1.0 51,-2.2 26,-0.2 2,-0.3 -0.987 71.0-165.0-141.3 150.8 31.7 -31.1 0.5 96 97 A L E -gI 146 120A 1 24,-2.1 24,-2.7 -2,-0.3 2,-0.3 -0.962 1.7-167.9-136.1 152.7 29.3 -33.1 -1.7 97 98 A V E -g 147 0A 1 49,-1.8 51,-3.3 -2,-0.3 2,-1.0 -0.968 29.7-123.0-136.7 150.3 29.6 -35.1 -4.9 98 99 A Q E > -g 148 0A 22 20,-0.5 3,-1.4 13,-0.4 51,-0.2 -0.837 31.1-170.2 -90.2 99.3 27.2 -36.7 -7.4 99 100 A H T 3 S+ 0 0 2 49,-1.7 50,-0.2 -2,-1.0 -1,-0.1 0.631 76.4 56.1 -74.3 -12.9 28.5 -40.2 -7.1 100 101 A D T 3 S+ 0 0 9 48,-0.6 2,-0.4 11,-0.1 -1,-0.3 0.362 74.8 113.1-102.1 3.7 26.5 -41.6 -10.0 101 102 A V < + 0 0 2 -3,-1.4 10,-2.4 280,-0.1 2,-0.3 -0.655 41.9 176.2 -77.0 127.2 27.8 -39.2 -12.6 102 103 A D B +k 381 0B 53 278,-2.6 280,-2.3 -2,-0.4 3,-0.2 -0.780 26.0 147.9-143.1 93.9 29.9 -41.1 -15.1 103 104 A L > > + 0 0 7 6,-0.4 3,-1.8 -2,-0.3 5,-1.6 -0.149 34.4 127.0-110.3 33.5 31.3 -39.5 -18.2 104 105 A S G > 5 + 0 0 55 1,-0.3 3,-2.3 3,-0.2 -1,-0.1 0.763 61.3 71.7 -61.8 -25.3 34.3 -41.8 -18.2 105 106 A A G 3 5S+ 0 0 51 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.782 100.6 46.5 -59.2 -24.9 33.5 -42.7 -21.8 106 107 A F G < 5S- 0 0 118 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.203 126.1-106.6 -99.5 12.6 34.8 -39.2 -22.5 107 108 A D T < 5S+ 0 0 151 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.796 74.8 141.1 64.3 30.9 37.8 -39.8 -20.3 108 109 A H < - 0 0 60 -5,-1.6 -1,-0.3 4,-0.1 -2,-0.1 -0.754 58.8-103.0 -91.9 150.2 36.4 -37.5 -17.6 109 110 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 -6,-0.4 -0.357 48.9 -87.9 -64.9 154.8 36.9 -38.5 -13.9 110 111 A L T 3 S+ 0 0 38 1,-0.2 -8,-0.2 -8,-0.1 3,-0.1 -0.341 114.9 27.0 -61.2 143.2 33.9 -40.0 -12.2 111 112 A G T 3 S+ 0 0 5 -10,-2.4 2,-0.4 1,-0.2 -13,-0.4 0.238 96.9 121.4 89.6 -13.9 31.6 -37.4 -10.6 112 113 A F < + 0 0 48 -3,-1.7 -9,-0.3 -11,-0.2 -1,-0.2 -0.700 35.8 179.0 -95.8 135.7 32.7 -34.7 -13.1 113 114 A I > - 0 0 7 -2,-0.4 3,-1.7 -3,-0.1 -3,-0.0 -0.997 40.7 -98.6-125.3 136.2 30.5 -32.7 -15.5 114 115 A P T 3 S+ 0 0 32 0, 0.0 167,-0.3 0, 0.0 3,-0.1 -0.126 110.3 24.2 -48.9 142.6 31.9 -30.1 -17.8 115 116 A E T 3 S+ 0 0 108 1,-0.3 2,-0.2 165,-0.1 -3,-0.0 0.519 121.6 65.4 73.9 8.2 31.4 -26.5 -16.5 116 117 A S S < S- 0 0 41 -3,-1.7 -1,-0.3 4,-0.0 2,-0.3 -0.474 77.9-114.8-133.9-155.3 31.3 -27.9 -12.9 117 118 A A - 0 0 56 -2,-0.2 -4,-0.1 -6,-0.1 3,-0.0 -0.952 23.3-115.6-145.9 161.5 33.5 -29.7 -10.4 118 119 A I S S+ 0 0 49 -2,-0.3 -20,-0.5 1,-0.1 2,-0.4 0.945 102.4 43.0 -65.0 -46.5 33.6 -33.0 -8.7 119 120 A F - 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