==== 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 10-DEC-10 2Y1T . 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 . 763 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 237 31.1 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 . 80 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 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 PARALLEL BRIDGES PER LADDER . 1 0 13 17 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 0 108 0, 0.0 249,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.4 0.0 -20.4 -55.2 2 2 A Q E -a 250 0A 95 247,-0.2 2,-0.4 249,-0.0 249,-0.2 -0.930 360.0-150.2-133.8 155.8 -3.0 -21.1 -52.9 3 3 A I E -a 251 0A 0 247,-2.9 249,-2.8 -2,-0.3 2,-0.5 -0.996 15.4-148.1-113.6 131.0 -4.9 -19.8 -49.8 4 4 A K E -aB 252 49A 61 45,-1.9 45,-2.6 -2,-0.4 2,-0.4 -0.869 18.9-167.4 -95.2 127.6 -6.8 -22.1 -47.5 5 5 A I E -aB 253 48A 2 247,-1.9 249,-2.6 -2,-0.5 2,-0.5 -0.979 12.3-169.7-127.1 121.4 -9.9 -20.6 -46.0 6 6 A K E - B 0 47A 32 41,-2.8 41,-2.5 -2,-0.4 2,-0.3 -0.981 18.0-143.9-103.4 130.8 -12.1 -21.8 -43.1 7 7 A Y E - B 0 46A 19 -2,-0.5 39,-0.2 247,-0.4 38,-0.1 -0.672 18.8-124.0 -94.0 153.3 -15.4 -20.1 -42.5 8 8 A L S S- 0 0 90 37,-2.7 2,-0.3 -2,-0.3 -1,-0.1 0.883 88.0 -22.7 -61.8 -35.9 -16.9 -19.4 -39.1 9 9 A D S > S- 0 0 58 36,-0.3 3,-1.5 -3,-0.0 -1,-0.2 -0.968 72.7 -87.7-166.0 173.8 -20.1 -21.3 -40.2 10 10 A E T 3 S+ 0 0 176 -2,-0.3 4,-0.1 1,-0.3 -2,-0.0 0.676 116.3 64.7 -70.6 -15.3 -22.1 -22.4 -43.2 11 11 A T T 3 S+ 0 0 74 2,-0.1 -1,-0.3 18,-0.0 2,-0.2 0.557 77.2 103.6 -84.6 -7.6 -24.1 -19.1 -43.3 12 12 A Q S < S- 0 0 15 -3,-1.5 2,-0.5 33,-0.1 17,-0.1 -0.581 83.3-110.1 -75.8 137.8 -21.0 -16.9 -44.1 13 13 A T - 0 0 75 -2,-0.2 14,-0.1 1,-0.1 -1,-0.1 -0.570 31.0-119.6 -66.1 120.5 -20.9 -15.9 -47.7 14 14 A R - 0 0 91 -2,-0.5 -1,-0.1 -4,-0.1 2,-0.1 -0.332 37.6-119.3 -57.6 140.3 -18.1 -17.6 -49.6 15 15 A I - 0 0 20 1,-0.1 -1,-0.1 9,-0.0 11,-0.1 -0.302 30.7 -73.8 -89.5 170.7 -15.6 -15.1 -51.0 16 16 A N - 0 0 79 9,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.229 46.0-113.8 -61.1 138.5 -14.4 -14.1 -54.5 17 17 A K - 0 0 163 1,-0.1 233,-0.1 233,-0.0 -1,-0.1 -0.409 23.6-136.7 -62.8 156.5 -12.0 -16.4 -56.4 18 18 A M B +E 249 0B 3 231,-0.6 231,-2.4 1,-0.1 3,-0.2 -0.245 61.4 122.1-119.9 43.7 -8.6 -14.7 -56.9 19 19 A E S S+ 0 0 154 229,-0.2 229,-0.2 1,-0.2 -1,-0.1 0.006 76.6 47.7 -94.8 28.7 -7.6 -15.5 -60.5 20 20 A Q S S- 0 0 96 227,-0.2 -1,-0.2 2,-0.2 228,-0.1 0.501 101.9-114.6-139.8 -17.4 -7.3 -11.8 -61.5 21 21 A G + 0 0 2 1,-0.3 225,-1.1 -3,-0.2 2,-0.1 0.406 65.8 136.8 97.5 -6.1 -5.2 -9.9 -58.8 22 22 A D - 0 0 54 223,-0.1 -1,-0.3 1,-0.1 -2,-0.2 -0.421 64.9 -94.2 -69.8 156.0 -7.9 -7.6 -57.5 23 23 A W - 0 0 26 -2,-0.1 2,-0.4 1,-0.1 89,-0.2 -0.290 43.8-124.1 -69.5 154.7 -8.3 -7.0 -53.8 24 24 A I E -F 111 0C 2 87,-2.7 87,-2.1 -3,-0.1 2,-0.3 -0.882 15.9-125.2-112.2 128.2 -10.9 -9.3 -52.2 25 25 A D E -F 110 0C 26 -2,-0.4 2,-0.3 85,-0.2 -9,-0.3 -0.495 21.0-161.4 -82.0 135.3 -13.9 -8.2 -50.2 26 26 A L E -F 109 0C 0 83,-2.6 82,-2.6 -2,-0.3 83,-1.5 -0.871 11.4-147.4-113.6 152.1 -14.5 -9.4 -46.7 27 27 A R E -F 107 0C 20 17,-0.5 80,-0.3 -2,-0.3 2,-0.2 -0.870 22.5 -92.5-133.3 150.2 -17.8 -9.2 -44.8 28 28 A A - 0 0 0 78,-2.4 77,-2.9 75,-0.3 16,-0.2 -0.360 26.4-153.0 -63.3 126.1 -19.4 -8.8 -41.4 29 29 A A S S+ 0 0 4 14,-3.1 2,-0.3 75,-0.2 -1,-0.2 0.683 76.3 3.0 -76.5 -15.8 -20.0 -12.2 -39.8 30 30 A E S S- 0 0 86 13,-0.4 75,-0.1 73,-0.1 -1,-0.1 -0.945 96.3 -69.6-157.9 164.2 -22.9 -10.8 -37.7 31 31 A D - 0 0 84 -2,-0.3 2,-0.4 72,-0.1 72,-0.2 -0.375 50.2-171.6 -57.6 132.2 -25.0 -7.6 -37.2 32 32 A V E -I 102 0D 8 70,-3.2 70,-2.7 -2,-0.1 2,-0.5 -0.963 9.5-167.5-131.8 120.3 -22.8 -5.0 -35.4 33 33 A A E -I 101 0D 84 -2,-0.4 2,-0.5 68,-0.2 68,-0.2 -0.934 9.7-175.3-100.6 130.1 -24.2 -1.6 -34.1 34 34 A I E -I 100 0D 8 66,-2.1 66,-2.1 -2,-0.5 2,-0.1 -0.975 15.6-138.5-125.8 127.6 -21.6 1.0 -33.1 35 35 A K > - 0 0 132 -2,-0.5 3,-2.1 64,-0.2 61,-0.4 -0.473 42.2 -77.7 -75.9 156.4 -22.4 4.3 -31.5 36 36 A K T 3 S+ 0 0 102 1,-0.3 61,-0.2 -2,-0.1 -1,-0.2 -0.130 119.0 12.5 -49.4 133.5 -20.7 7.5 -32.4 37 37 A D T 3 S+ 0 0 70 59,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.631 106.1 114.0 62.4 21.4 -17.2 7.6 -30.9 38 38 A E < - 0 0 97 -3,-2.1 58,-2.6 58,-0.3 2,-0.4 -0.767 56.1-134.4-116.7 162.4 -17.2 4.0 -30.0 39 39 A F E + C 0 95A 72 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.882 18.3 177.8-118.4 144.7 -15.2 1.1 -31.2 40 40 A K E - C 0 94A 86 54,-2.8 54,-2.5 -2,-0.4 2,-0.9 -0.964 29.5-135.0-145.8 133.0 -15.9 -2.5 -32.2 41 41 A L E - C 0 93A 81 -2,-0.3 -2,-0.0 52,-0.2 54,-0.0 -0.801 33.3-149.8 -78.7 105.9 -13.8 -5.3 -33.5 42 42 A V E - C 0 92A 0 50,-2.8 50,-2.7 -2,-0.9 2,-0.2 -0.682 11.3-129.0 -86.7 119.9 -16.1 -6.5 -36.4 43 43 A P E - C 0 91A 17 0, 0.0 -14,-3.1 0, 0.0 -13,-0.4 -0.464 15.7-164.4 -69.5 144.0 -15.8 -10.2 -37.1 44 44 A L E - 0 0 5 46,-2.6 -17,-0.5 -16,-0.2 47,-0.2 0.569 29.6-132.3-109.2 -6.7 -15.1 -11.2 -40.6 45 45 A G E + 0 0 1 45,-0.6 -37,-2.7 1,-0.2 2,-0.4 0.681 67.8 107.9 71.3 18.6 -16.0 -14.8 -40.2 46 46 A V E -B 7 0A 4 44,-0.3 44,-2.9 -39,-0.2 2,-0.3 -0.982 43.7-172.5-134.9 137.7 -12.9 -16.1 -42.0 47 47 A A E -BC 6 89A 0 -41,-2.5 -41,-2.8 -2,-0.4 2,-0.4 -0.986 20.0-171.2-122.9 141.0 -9.6 -17.8 -41.0 48 48 A M E -B 5 0A 1 40,-0.6 2,-0.6 35,-0.4 -43,-0.2 -0.979 28.9-146.9-136.0 145.7 -6.9 -18.3 -43.6 49 49 A E E -B 4 0A 54 -45,-2.6 -45,-1.9 -2,-0.4 35,-0.1 -0.945 31.3-156.0-106.5 111.0 -3.6 -20.0 -44.2 50 50 A L - 0 0 7 -2,-0.6 -47,-0.1 31,-0.2 3,-0.1 -0.433 29.9 -84.0 -84.0 154.5 -1.7 -17.8 -46.4 51 51 A P > - 0 0 18 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.219 60.3 -85.8 -53.3 150.1 1.2 -19.0 -48.8 52 52 A E T 3 S+ 0 0 173 1,-0.2 3,-0.1 -3,-0.1 -3,-0.0 -0.318 115.4 22.7 -59.0 144.0 4.6 -19.3 -47.1 53 53 A G T 3 S+ 0 0 11 1,-0.3 63,-3.0 -3,-0.1 2,-0.3 0.508 105.8 106.8 81.7 2.1 6.6 -16.1 -47.1 54 54 A Y E < -G 115 0C 40 -3,-1.8 27,-0.7 61,-0.3 2,-0.3 -0.752 45.2-169.5-113.4 165.4 3.4 -14.0 -47.5 55 55 A E E -GH 114 80C 0 59,-2.1 59,-2.2 -2,-0.3 2,-0.4 -0.919 20.1-126.1-141.6 160.3 1.3 -11.6 -45.4 56 56 A A E -GH 113 79C 0 23,-3.0 23,-2.9 -2,-0.3 2,-0.4 -0.904 11.6-152.0-114.9 147.0 -2.0 -10.1 -46.0 57 57 A H E -GH 112 78C 7 55,-2.6 55,-1.3 -2,-0.4 2,-0.5 -0.947 8.7-162.7-114.3 137.1 -3.0 -6.4 -45.8 58 58 A V E +GH 111 77C 4 19,-2.2 19,-2.3 -2,-0.4 53,-0.2 -0.963 16.6 161.3-124.0 125.2 -6.5 -5.3 -44.9 59 59 A V E -G 110 0C 1 51,-2.2 51,-2.8 -2,-0.5 17,-0.1 -0.894 43.8 -90.6-130.4 167.4 -7.9 -1.7 -45.6 60 60 A P E -G 109 0C 4 0, 0.0 49,-0.2 0, 0.0 2,-0.2 -0.343 45.7-103.3 -70.9 165.7 -11.4 -0.4 -45.8 61 61 A R > - 0 0 58 47,-0.7 3,-1.3 1,-0.1 4,-0.4 -0.537 33.7-107.8 -73.9 165.1 -13.3 -0.3 -49.1 62 62 A S T 3 S+ 0 0 82 1,-0.3 4,-0.4 -2,-0.2 3,-0.3 0.856 120.3 42.1 -58.3 -39.5 -13.6 3.0 -50.9 63 63 A S T 3> S+ 0 0 33 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.351 86.8 99.1 -91.3 -0.4 -17.3 3.3 -50.1 64 64 A T H <>>S+ 0 0 2 -3,-1.3 4,-2.9 2,-0.2 5,-0.5 0.939 84.9 43.5 -53.7 -46.6 -16.9 2.0 -46.4 65 65 A Y H >5S+ 0 0 27 -4,-0.4 4,-2.6 -3,-0.3 -1,-0.2 0.952 113.7 50.0 -66.3 -48.5 -17.0 5.5 -44.9 66 66 A K H 45S+ 0 0 144 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 120.7 35.1 -53.3 -53.3 -19.8 6.8 -47.0 67 67 A N H <5S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.843 135.5 17.7 -73.3 -36.7 -22.0 3.8 -46.2 68 68 A F H <5S- 0 0 26 -4,-2.9 -3,-0.2 -5,-0.3 30,-0.2 0.623 84.0-131.0-122.7 -10.4 -21.0 3.1 -42.7 69 69 A G << + 0 0 0 -4,-2.6 28,-2.9 -5,-0.5 29,-0.6 0.819 62.1 127.4 65.4 31.2 -19.3 6.0 -41.1 70 70 A V E -D 96 0A 0 -6,-0.3 2,-0.3 26,-0.2 -1,-0.2 -0.918 42.7-158.1-122.1 148.7 -16.4 4.1 -39.8 71 71 A I E -D 95 0A 10 24,-2.1 24,-2.3 -2,-0.3 2,-0.7 -0.771 31.3-110.0-112.8 155.7 -12.5 4.4 -40.0 72 72 A Q E > -D 94 0A 7 130,-0.3 3,-1.9 -2,-0.3 22,-0.2 -0.880 22.6-149.9 -93.4 119.7 -10.1 1.6 -39.5 73 73 A T T 3 S+ 0 0 3 20,-2.1 255,-0.4 -2,-0.7 -1,-0.1 0.772 94.9 43.4 -68.0 -35.3 -8.2 2.2 -36.2 74 74 A N T 3 S- 0 0 15 19,-0.3 2,-2.5 1,-0.1 -1,-0.3 0.305 99.3-137.7 -87.0 13.9 -4.9 0.4 -37.2 75 75 A S S < S+ 0 0 6 -3,-1.9 2,-0.4 240,-0.1 130,-0.2 -0.407 83.1 16.5 63.9 -68.1 -5.1 2.1 -40.7 76 76 A M S S- 0 0 7 -2,-2.5 2,-0.4 255,-0.2 -17,-0.2 -0.993 81.6-138.7-135.3 125.3 -4.0 -1.1 -42.5 77 77 A G E -H 58 0C 5 -19,-2.3 -19,-2.2 -2,-0.4 2,-0.5 -0.714 10.1-149.8 -89.7 142.6 -4.1 -4.5 -40.8 78 78 A V E -H 57 0C 39 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.894 8.5-169.7-110.5 123.5 -1.3 -7.0 -41.3 79 79 A I E -H 56 0C 30 -23,-2.9 -23,-3.0 -2,-0.5 2,-0.1 -0.954 17.4-148.2-112.2 116.2 -2.0 -10.7 -41.1 80 80 A D E > -H 55 0C 30 -2,-0.6 3,-1.7 -25,-0.2 -30,-0.2 -0.403 26.1-110.9 -80.8 155.9 1.2 -12.7 -41.0 81 81 A E T 3 S+ 0 0 55 -27,-0.7 -31,-0.2 1,-0.3 -1,-0.1 0.726 116.5 65.3 -53.1 -20.7 1.6 -16.1 -42.5 82 82 A S T 3 S+ 0 0 82 1,-0.2 2,-2.1 -33,-0.1 -1,-0.3 0.711 76.7 83.3 -84.4 -19.2 1.8 -17.4 -38.9 83 83 A Y < + 0 0 77 -3,-1.7 -35,-0.4 1,-0.2 -1,-0.2 -0.546 57.2 119.0 -79.3 74.4 -1.8 -16.5 -38.1 84 84 A K + 0 0 101 -2,-2.1 -1,-0.2 -35,-0.1 -2,-0.1 0.174 34.6 131.4-130.5 14.1 -3.0 -19.7 -39.6 85 85 A G > - 0 0 28 -3,-0.2 3,-2.1 1,-0.1 -37,-0.1 -0.236 69.9-112.4 -70.7 152.4 -4.7 -21.4 -36.6 86 86 A D T 3 S+ 0 0 58 171,-0.5 -1,-0.1 1,-0.3 171,-0.0 0.639 122.0 40.5 -59.5 -20.5 -8.1 -23.0 -36.6 87 87 A N T 3 S+ 0 0 136 1,-0.1 2,-1.4 2,-0.0 -1,-0.3 0.139 84.9 110.9-105.6 15.0 -9.3 -20.2 -34.2 88 88 A D < + 0 0 41 -3,-2.1 -40,-0.6 -40,-0.0 2,-0.1 -0.459 47.2 171.1 -95.1 64.8 -7.4 -17.4 -36.0 89 89 A F E -C 47 0A 21 -2,-1.4 -42,-0.3 -42,-0.2 2,-0.2 -0.408 31.7-113.0 -73.5 155.7 -10.3 -15.6 -37.3 90 90 A W E - 0 0 3 -44,-2.9 -46,-2.6 -2,-0.1 -45,-0.6 -0.557 30.1-169.7 -98.1 149.6 -10.0 -12.2 -39.0 91 91 A F E -C 43 0A 91 -48,-0.2 -50,-0.1 -2,-0.2 -63,-0.0 -0.953 19.5-140.8-135.5 146.9 -11.5 -8.9 -37.6 92 92 A F E -C 42 0A 0 -50,-2.7 -50,-2.8 -2,-0.3 2,-0.9 -0.974 22.6-139.0-109.0 113.3 -11.9 -5.3 -38.9 93 93 A P E -C 41 0A 13 0, 0.0 -20,-2.1 0, 0.0 2,-0.5 -0.644 28.9-170.6 -78.5 103.5 -11.2 -2.7 -36.1 94 94 A A E -CD 40 72A 0 -54,-2.5 -54,-2.8 -2,-0.9 2,-0.4 -0.833 19.6-172.6-109.3 123.9 -13.9 -0.1 -36.6 95 95 A Y E -CD 39 71A 8 -24,-2.3 -24,-2.1 -2,-0.5 2,-0.5 -0.965 24.8-136.3-109.1 128.6 -14.2 3.3 -34.9 96 96 A A E - 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