==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-NOV-10 2XY3 . COMPND 2 MOLECULE: SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHA . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.GARCIA-NAFRIA,M.HARKIOLAKI,R.PERSSON,M.J.FOGG,K.S.WILSON . 767 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 30.8 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 . 0 0.0 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 . 88 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0 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 RESIDUES PER ALPHA HELIX . 0 0 0 5 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 PARALLEL BRIDGES PER LADDER . 0 0 12 18 2 4 6 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 . 6 4 6 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 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 0 114 0, 0.0 250,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.1 -0.1 -20.0 -54.9 2 2 A Q E -a 251 0A 82 248,-0.3 2,-0.5 250,-0.1 250,-0.2 -0.856 360.0-153.9-123.8 152.1 -3.0 -21.0 -52.5 3 3 A I E -a 252 0A 0 248,-3.6 250,-2.6 -2,-0.3 2,-0.4 -0.981 13.4-148.6-120.0 130.6 -4.7 -19.7 -49.5 4 4 A K E -aB 253 49A 57 45,-1.6 45,-2.3 -2,-0.5 2,-0.4 -0.843 20.9-170.3 -98.4 140.4 -6.4 -22.1 -47.1 5 5 A I E -aB 254 48A 1 248,-1.5 250,-2.2 -2,-0.4 2,-0.4 -0.985 16.4-159.4-144.4 123.7 -9.4 -20.6 -45.4 6 6 A K E -aB 255 47A 35 41,-2.7 41,-2.1 -2,-0.4 2,-0.3 -0.887 16.9-143.8-100.8 133.0 -11.6 -21.7 -42.5 7 7 A Y E - B 0 46A 18 248,-0.6 39,-0.2 -2,-0.4 38,-0.1 -0.722 17.8-126.7 -95.7 145.0 -15.1 -20.1 -42.2 8 8 A L S S- 0 0 84 37,-2.2 2,-0.3 -2,-0.3 -1,-0.1 0.834 84.0 -33.1 -56.0 -34.7 -16.5 -19.5 -38.7 9 9 A D S > S- 0 0 48 36,-0.3 3,-0.7 1,-0.0 -1,-0.2 -0.945 72.9 -78.4-173.9 178.2 -19.5 -21.4 -39.8 10 10 A E T 3 S+ 0 0 163 -2,-0.3 4,-0.2 1,-0.2 -2,-0.0 0.757 116.8 64.2 -71.2 -29.9 -21.8 -22.3 -42.7 11 11 A T T 3 S+ 0 0 79 2,-0.1 -1,-0.2 18,-0.0 3,-0.0 0.781 79.1 101.9 -66.0 -27.3 -23.8 -19.0 -42.6 12 12 A Q S < S- 0 0 14 -3,-0.7 2,-0.7 1,-0.1 17,-0.1 -0.260 82.1-116.0 -57.1 146.9 -20.6 -17.0 -43.5 13 13 A T - 0 0 77 2,-0.0 14,-0.1 1,-0.0 -1,-0.1 -0.813 27.0-133.5 -88.0 117.6 -20.6 -16.0 -47.2 14 14 A R - 0 0 81 -2,-0.7 -4,-0.0 -4,-0.2 -1,-0.0 -0.258 10.7-139.8 -64.3 160.2 -17.6 -17.6 -49.0 15 15 A I 0 0 28 9,-0.0 10,-0.1 237,-0.0 -1,-0.1 0.359 360.0 360.0-113.8 3.3 -15.5 -15.4 -51.3 16 16 A N 0 0 76 236,-0.1 237,-0.1 2,-0.0 3,-0.0 0.986 360.0 360.0 66.6 360.0 -14.5 -17.1 -54.7 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 18 A M 0 0 56 0, 0.0 232,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 166.5 -10.3 -14.6 -57.2 19 19 A E + 0 0 59 230,-0.2 230,-0.1 1,-0.1 232,-0.1 -0.241 360.0 99.5-116.8 38.0 -7.0 -15.1 -59.1 20 20 A Q S S- 0 0 60 2,-0.2 229,-0.1 228,-0.1 -1,-0.1 0.556 94.1-117.4 -97.4 -14.0 -7.5 -11.7 -60.9 21 21 A G S S+ 0 0 6 1,-0.3 226,-0.7 227,-0.2 3,-0.1 0.054 71.1 133.1 91.3 -22.7 -5.1 -9.8 -58.6 22 22 A D - 0 0 78 1,-0.1 -1,-0.3 224,-0.1 -2,-0.2 -0.165 69.0 -95.4 -54.6 151.3 -7.9 -7.5 -57.3 23 23 A W - 0 0 19 -3,-0.1 2,-0.5 89,-0.1 89,-0.2 -0.480 43.0-124.6 -67.8 144.6 -8.2 -6.9 -53.5 24 24 A I E -E 111 0B 12 87,-2.3 87,-1.9 -2,-0.1 2,-0.2 -0.800 17.0-126.8-100.6 127.6 -10.7 -9.3 -52.0 25 25 A D E -E 110 0B 25 -2,-0.5 85,-0.3 85,-0.2 2,-0.3 -0.523 21.0-159.6 -71.6 135.9 -13.6 -8.0 -50.0 26 26 A L E -E 109 0B 4 83,-2.9 82,-1.6 -2,-0.2 83,-1.4 -0.771 11.9-146.4-111.5 156.7 -14.2 -9.4 -46.5 27 27 A R E -E 107 0B 32 17,-0.5 80,-0.2 -2,-0.3 2,-0.2 -0.895 20.4 -91.7-133.1 158.0 -17.5 -9.2 -44.6 28 28 A A - 0 0 1 78,-2.2 77,-3.0 75,-0.3 16,-0.2 -0.470 24.5-155.5 -68.2 132.6 -19.0 -8.9 -41.2 29 29 A A S S+ 0 0 6 14,-2.6 2,-0.3 75,-0.2 -1,-0.1 0.600 76.2 9.0 -83.3 -17.0 -19.8 -12.2 -39.5 30 30 A E S S- 0 0 113 13,-0.5 2,-0.2 73,-0.1 -1,-0.1 -0.969 94.0 -78.4-153.4 162.8 -22.5 -10.8 -37.3 31 31 A D - 0 0 108 -2,-0.3 2,-0.4 72,-0.1 72,-0.2 -0.537 47.0-172.9 -60.3 132.0 -24.6 -7.7 -36.9 32 32 A V E -H 102 0C 10 70,-2.3 70,-3.8 -2,-0.2 2,-0.4 -0.997 7.7-164.2-128.2 133.4 -22.5 -5.1 -35.0 33 33 A A E -H 101 0C 56 -2,-0.4 2,-0.4 68,-0.2 68,-0.2 -0.909 8.9-172.9-110.3 141.5 -24.0 -1.7 -33.9 34 34 A I E -H 100 0C 6 66,-2.6 66,-1.9 -2,-0.4 64,-0.1 -0.966 14.8-140.5-140.8 120.8 -21.7 1.1 -32.9 35 35 A K > - 0 0 68 -2,-0.4 3,-1.9 64,-0.2 61,-0.4 -0.406 46.1 -77.4 -69.0 164.1 -22.5 4.5 -31.3 36 36 A K T 3 S+ 0 0 91 1,-0.3 61,-0.2 61,-0.1 -1,-0.1 -0.233 120.0 13.8 -58.6 140.3 -20.7 7.6 -32.4 37 37 A D T 3 S+ 0 0 70 59,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.601 103.4 117.9 59.1 21.4 -17.3 7.8 -30.8 38 38 A E < - 0 0 110 -3,-1.9 58,-2.0 58,-0.4 2,-0.4 -0.672 54.7-135.0-109.3 164.8 -17.3 4.1 -29.7 39 39 A F E + C 0 95A 63 -2,-0.2 2,-0.3 56,-0.2 56,-0.2 -0.929 23.3 169.1-119.9 142.7 -15.0 1.3 -30.8 40 40 A K E - C 0 94A 93 54,-2.2 54,-2.5 -2,-0.4 2,-0.5 -0.968 34.4-126.1-150.9 143.8 -15.8 -2.3 -31.9 41 41 A L E - C 0 93A 92 -2,-0.3 -2,-0.0 52,-0.2 50,-0.0 -0.756 26.5-150.4 -74.6 122.0 -14.0 -5.3 -33.4 42 42 A V E - C 0 92A 0 50,-2.3 50,-2.4 -2,-0.5 2,-0.1 -0.912 17.6-134.5 -95.2 110.6 -16.1 -6.3 -36.4 43 43 A P E - C 0 91A 17 0, 0.0 -14,-2.6 0, 0.0 -13,-0.5 -0.472 13.9-161.3 -69.7 139.4 -15.5 -10.0 -36.7 44 44 A L E - 0 0 2 46,-2.2 -17,-0.5 -16,-0.2 47,-0.1 0.234 26.8-132.9-103.9 3.7 -14.9 -11.1 -40.3 45 45 A G E + 0 0 3 45,-0.3 -37,-2.2 1,-0.1 2,-0.3 0.662 67.1 106.9 54.0 26.7 -15.7 -14.8 -39.7 46 46 A V E -B 7 0A 8 44,-0.4 44,-2.8 -39,-0.2 2,-0.3 -0.985 43.7-173.2-139.1 143.8 -12.5 -16.1 -41.5 47 47 A A E -BC 6 89A 0 -41,-2.1 -41,-2.7 -2,-0.3 2,-0.3 -0.974 18.5-171.5-129.0 144.5 -9.2 -17.7 -40.7 48 48 A M E -B 5 0A 0 40,-0.5 2,-0.7 35,-0.4 -43,-0.2 -0.996 28.7-142.7-141.2 142.4 -6.5 -18.2 -43.2 49 49 A E E -B 4 0A 59 -45,-2.3 -45,-1.6 -2,-0.3 35,-0.1 -0.926 34.4-149.9 -93.1 112.6 -3.2 -19.9 -43.7 50 50 A L - 0 0 4 -2,-0.7 3,-0.1 31,-0.4 4,-0.1 -0.499 29.5 -84.1 -81.3 154.7 -1.3 -17.5 -46.0 51 51 A P > - 0 0 17 0, 0.0 3,-1.4 0, 0.0 2,-0.1 -0.148 62.8 -82.7 -52.6 153.8 1.4 -18.7 -48.4 52 52 A E T 3 S+ 0 0 175 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.421 116.9 18.1 -63.4 131.7 4.8 -19.2 -46.8 53 53 A G T 3 S+ 0 0 27 1,-0.3 63,-2.6 -2,-0.1 2,-0.3 0.648 103.5 117.0 85.7 20.5 6.6 -15.9 -46.7 54 54 A Y E < -F 115 0B 45 -3,-1.4 27,-0.7 61,-0.2 2,-0.3 -0.882 46.4-155.6-128.6 152.4 3.6 -13.7 -47.1 55 55 A E E -FG 114 80B 0 59,-2.2 59,-1.8 -2,-0.3 2,-0.4 -0.869 14.0-137.5-110.9 149.3 1.5 -11.0 -45.3 56 56 A A E -FG 113 79B 0 23,-4.0 23,-3.4 -2,-0.3 2,-0.4 -0.913 14.7-157.3-102.1 141.4 -2.0 -9.9 -45.6 57 57 A H E -FG 112 78B 4 55,-2.7 55,-1.3 -2,-0.4 2,-0.5 -0.954 6.8-161.2-111.7 136.0 -2.8 -6.2 -45.5 58 58 A V E +FG 111 77B 4 19,-1.8 19,-2.5 -2,-0.4 53,-0.2 -0.980 18.8 157.5-126.0 120.7 -6.3 -5.1 -44.6 59 59 A V E -F 110 0B 0 51,-1.9 51,-2.6 -2,-0.5 17,-0.1 -0.898 43.5 -90.6-131.2 163.8 -7.8 -1.6 -45.3 60 60 A P E -F 109 0B 2 0, 0.0 49,-0.2 0, 0.0 2,-0.2 -0.071 44.6-101.1 -65.4 172.3 -11.3 -0.4 -45.6 61 61 A R > - 0 0 56 47,-0.8 3,-1.2 1,-0.1 4,-0.5 -0.603 33.6-107.1 -84.7 158.7 -13.2 -0.3 -48.9 62 62 A S T 3 S+ 0 0 101 1,-0.2 4,-0.4 -2,-0.2 3,-0.4 0.904 121.6 41.1 -44.5 -47.8 -13.6 3.0 -50.8 63 63 A S T 3> S+ 0 0 26 1,-0.2 4,-3.0 2,-0.1 5,-0.3 0.459 85.8 98.5 -88.2 0.3 -17.3 3.2 -49.8 64 64 A T H <>>S+ 0 0 0 -3,-1.2 4,-2.7 2,-0.2 5,-0.7 0.923 86.4 44.1 -57.6 -46.9 -16.9 2.0 -46.2 65 65 A Y H >5S+ 0 0 27 -4,-0.5 4,-2.9 -3,-0.4 3,-0.2 0.981 115.4 48.8 -60.7 -58.1 -16.9 5.5 -44.7 66 66 A K H 45S+ 0 0 147 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 120.8 35.2 -41.0 -57.5 -19.8 6.6 -46.9 67 67 A N H <5S+ 0 0 83 -4,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.751 136.2 15.9 -82.7 -20.9 -22.0 3.6 -46.1 68 68 A F H <5S- 0 0 25 -4,-2.7 -3,-0.2 -5,-0.3 30,-0.2 0.593 82.1-132.0-129.9 -14.8 -21.0 3.0 -42.4 69 69 A G << + 0 0 0 -4,-2.9 28,-3.4 -5,-0.7 29,-0.6 0.829 62.6 128.0 67.3 30.2 -19.2 6.1 -40.9 70 70 A V E -D 96 0A 1 -6,-0.4 2,-0.3 26,-0.3 -1,-0.2 -0.895 44.1-156.4-116.9 145.3 -16.4 4.1 -39.4 71 71 A I E -D 95 0A 12 24,-2.7 24,-2.7 -2,-0.4 2,-0.8 -0.846 31.2-106.1-110.6 159.2 -12.7 4.5 -39.8 72 72 A Q E > -D 94 0A 7 -2,-0.3 3,-2.8 131,-0.3 22,-0.2 -0.796 24.3-149.2 -94.2 110.7 -10.1 1.7 -39.3 73 73 A T T 3 S+ 0 0 3 20,-1.8 258,-0.4 -2,-0.8 -1,-0.1 0.777 95.0 40.8 -46.9 -43.9 -8.3 2.1 -36.0 74 74 A N T 3 S- 0 0 18 19,-0.3 2,-3.4 1,-0.2 -1,-0.3 0.368 96.4-139.8 -94.0 8.5 -5.0 0.6 -37.0 75 75 A S S < S+ 0 0 6 -3,-2.8 2,-0.4 243,-0.1 131,-0.2 -0.322 84.9 21.7 66.7 -64.9 -5.1 2.3 -40.4 76 76 A M S S- 0 0 6 -2,-3.4 2,-0.4 258,-0.3 -17,-0.2 -0.992 78.3-141.9-137.3 128.6 -3.7 -0.9 -42.0 77 77 A G E -G 58 0B 7 -19,-2.5 -19,-1.8 -2,-0.4 2,-0.7 -0.688 9.2-152.5 -87.0 133.9 -3.9 -4.4 -40.5 78 78 A V E -G 57 0B 38 -2,-0.4 2,-0.7 -21,-0.2 -21,-0.2 -0.932 8.9-170.6-110.5 105.8 -0.9 -6.7 -41.0 79 79 A I E -G 56 0B 25 -23,-3.4 -23,-4.0 -2,-0.7 2,-0.2 -0.898 17.9-150.6 -94.4 113.1 -2.0 -10.4 -41.0 80 80 A D E > -G 55 0B 25 -2,-0.7 3,-2.3 -25,-0.2 -30,-0.2 -0.486 24.7-111.9 -83.3 154.5 1.3 -12.3 -40.8 81 81 A E T 3 S+ 0 0 49 -27,-0.7 -31,-0.4 1,-0.3 -1,-0.1 0.860 115.7 65.5 -47.8 -38.3 1.8 -15.8 -42.3 82 82 A S T 3 S+ 0 0 80 1,-0.2 2,-1.3 -33,-0.1 -1,-0.3 0.462 78.1 85.5 -69.1 -5.8 2.2 -17.1 -38.7 83 83 A Y < + 0 0 78 -3,-2.3 -35,-0.4 1,-0.2 -33,-0.2 -0.776 56.0 116.2 -95.2 81.3 -1.5 -16.3 -38.0 84 84 A K + 0 0 97 -2,-1.3 -1,-0.2 -35,-0.1 2,-0.1 0.050 34.2 129.7-139.1 23.9 -2.7 -19.5 -39.3 85 85 A G > - 0 0 28 -3,-0.1 3,-1.3 -37,-0.1 -37,-0.1 -0.327 69.3-110.6 -81.7 166.4 -4.3 -21.3 -36.4 86 86 A D T 3 S+ 0 0 59 172,-0.3 -1,-0.1 1,-0.3 -39,-0.0 0.651 120.7 42.3 -76.3 -18.6 -7.7 -22.8 -36.3 87 87 A N T 3 S+ 0 0 135 1,-0.1 2,-1.2 171,-0.0 -1,-0.3 0.208 85.1 111.8-107.8 15.9 -8.9 -20.2 -33.8 88 88 A D < + 0 0 47 -3,-1.3 -40,-0.5 -40,-0.0 2,-0.3 -0.575 44.5 173.8 -95.3 75.4 -7.2 -17.2 -35.7 89 89 A F E -C 47 0A 23 -2,-1.2 -42,-0.2 -42,-0.2 2,-0.2 -0.583 29.6-120.7 -86.6 140.5 -10.1 -15.2 -37.0 90 90 A W E - 0 0 3 -44,-2.8 -46,-2.2 -2,-0.3 -44,-0.4 -0.504 30.3-170.0 -79.2 145.6 -9.6 -11.9 -38.8 91 91 A F E -C 43 0A 91 -48,-0.2 -50,-0.1 -2,-0.2 -63,-0.0 -0.898 20.6-134.2-131.5 162.4 -11.3 -8.8 -37.4 92 92 A F E -C 42 0A 0 -50,-2.4 -50,-2.3 -2,-0.3 2,-0.8 -0.947 19.4-143.7-119.2 114.1 -11.9 -5.2 -38.5 93 93 A P E -C 41 0A 14 0, 0.0 -20,-1.8 0, 0.0 2,-0.4 -0.654 27.8-173.4 -87.0 114.5 -11.2 -2.6 -35.8 94 94 A A E -CD 40 72A 0 -54,-2.5 -54,-2.2 -2,-0.8 2,-0.5 -0.884 22.7-168.6-120.2 130.1 -13.8 0.1 -36.3 95 95 A Y E -CD 39 71A 8 -24,-2.7 -24,-2.7 -2,-0.4 2,-0.5 -0.984 23.8-139.4-115.7 128.0 -14.3 3.5 -34.7 96 96 A A E - 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