==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-MAR-12 4AO5 . COMPND 2 MOLECULE: SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHA . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.GARCIA-NAFRIA,C.HARRISON,J.P.TURKENBURG,K.S.WILSON . 771 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 240 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 . 76 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 6.6 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 3 3 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 . 3 0 12 18 3 3 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 6 6 3 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 0 101 0, 0.0 250,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.0 0.1 -20.8 -54.5 2 2 A Q E -a 251 0A 92 248,-0.2 2,-0.5 250,-0.0 250,-0.2 -0.905 360.0-145.4-136.9 156.6 -3.0 -21.3 -52.3 3 3 A I E -a 252 0A 0 248,-2.5 250,-3.1 -2,-0.3 2,-0.5 -0.991 16.0-144.9-121.0 125.2 -4.8 -20.0 -49.2 4 4 A K E -aB 253 49A 77 45,-1.7 45,-2.6 -2,-0.5 2,-0.4 -0.815 22.1-166.3 -87.9 128.9 -6.7 -22.3 -46.9 5 5 A I E -aB 254 48A 2 248,-2.7 250,-2.3 -2,-0.5 2,-0.4 -0.973 12.1-168.6-126.2 127.6 -9.8 -20.6 -45.5 6 6 A K E - B 0 47A 30 41,-2.9 41,-2.3 -2,-0.4 2,-0.3 -0.966 15.7-144.6-112.6 129.8 -12.0 -21.7 -42.6 7 7 A Y E - B 0 46A 19 -2,-0.4 39,-0.2 248,-0.4 38,-0.1 -0.698 18.0-125.3 -94.8 149.1 -15.3 -19.9 -42.1 8 8 A L S S- 0 0 87 37,-2.7 2,-0.3 -2,-0.3 38,-0.1 0.839 86.7 -21.4 -59.5 -38.2 -16.8 -19.2 -38.6 9 9 A D S > S- 0 0 62 36,-0.3 3,-1.1 -3,-0.0 -1,-0.1 -0.948 74.2 -87.3-162.9 177.1 -20.1 -21.0 -39.6 10 10 A E T 3 S+ 0 0 177 -2,-0.3 4,-0.1 1,-0.2 -2,-0.0 0.678 116.3 63.6 -72.3 -17.4 -22.2 -22.1 -42.6 11 11 A T T 3 S+ 0 0 83 2,-0.1 -1,-0.2 18,-0.1 2,-0.1 0.631 76.1 106.8 -83.6 -13.9 -24.0 -18.7 -42.9 12 12 A Q S < S- 0 0 13 -3,-1.1 2,-0.4 33,-0.1 17,-0.1 -0.446 81.3-113.6 -63.0 135.1 -20.9 -16.8 -43.7 13 13 A T - 0 0 78 -2,-0.1 14,-0.1 1,-0.1 2,-0.1 -0.586 29.3-119.3 -73.9 123.8 -20.8 -15.8 -47.3 14 14 A R - 0 0 92 -2,-0.4 -1,-0.1 -4,-0.1 -4,-0.0 -0.451 37.2-124.1 -65.7 135.4 -18.0 -17.6 -49.2 15 15 A I - 0 0 18 1,-0.2 -1,-0.1 -2,-0.1 11,-0.1 -0.188 32.2 -68.3 -89.3 172.5 -15.6 -14.9 -50.5 16 16 A N - 0 0 75 9,-0.3 -1,-0.2 1,-0.1 8,-0.0 -0.193 47.5-109.1 -60.5 142.3 -14.3 -14.2 -54.1 17 17 A K - 0 0 154 1,-0.1 3,-0.2 234,-0.0 234,-0.1 -0.192 24.0-138.2 -52.2 159.6 -12.0 -16.4 -56.0 18 18 A M B +E 250 0B 2 232,-0.7 232,-2.7 1,-0.1 3,-0.2 -0.171 63.9 119.5-124.6 36.9 -8.5 -14.9 -56.3 19 19 A E S S+ 0 0 127 230,-0.2 230,-0.2 1,-0.2 -1,-0.1 0.571 75.7 49.7 -78.9 -7.5 -7.6 -15.8 -59.9 20 20 A Q S S- 0 0 77 -3,-0.2 -1,-0.2 2,-0.1 229,-0.1 0.619 100.1-118.3-113.2 -18.9 -7.3 -12.1 -60.9 21 21 A G + 0 0 2 1,-0.3 226,-0.8 -3,-0.2 2,-0.1 0.403 66.4 134.7 90.0 -2.7 -5.0 -10.3 -58.3 22 22 A D - 0 0 58 224,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.405 66.4 -93.7 -70.4 156.3 -7.6 -7.8 -57.1 23 23 A W - 0 0 22 -3,-0.1 2,-0.5 -2,-0.1 89,-0.2 -0.344 43.2-123.5 -66.1 157.2 -8.0 -7.2 -53.4 24 24 A I E -F 111 0C 2 87,-2.9 87,-2.2 -3,-0.1 2,-0.3 -0.899 15.0-127.4-117.2 126.9 -10.6 -9.3 -51.8 25 25 A D E -F 110 0C 25 -2,-0.5 -9,-0.3 85,-0.2 2,-0.3 -0.566 20.2-159.5 -78.2 134.6 -13.6 -8.0 -49.8 26 26 A L E -F 109 0C 0 83,-2.5 82,-2.6 -2,-0.3 83,-1.5 -0.799 10.6-145.3-114.0 154.2 -14.3 -9.3 -46.4 27 27 A R E -F 107 0C 24 17,-0.5 80,-0.2 -2,-0.3 2,-0.1 -0.885 22.6 -92.4-132.0 150.0 -17.6 -9.1 -44.6 28 28 A A - 0 0 1 78,-2.5 77,-2.9 -2,-0.3 16,-0.2 -0.352 26.1-152.6 -59.8 128.3 -19.2 -8.6 -41.1 29 29 A A S S- 0 0 5 14,-2.7 2,-0.3 75,-0.2 -1,-0.1 0.635 77.3 -1.0 -76.4 -19.8 -19.8 -12.0 -39.5 30 30 A E S S- 0 0 108 13,-0.4 2,-0.1 73,-0.1 -1,-0.1 -0.953 96.2 -66.5-159.1 166.3 -22.7 -10.5 -37.5 31 31 A D - 0 0 93 -2,-0.3 2,-0.4 72,-0.1 72,-0.2 -0.426 48.7-171.8 -60.2 138.3 -24.6 -7.3 -36.9 32 32 A V E -I 102 0D 12 70,-2.8 70,-2.9 -2,-0.1 2,-0.5 -0.978 8.0-166.2-137.9 119.5 -22.5 -4.7 -35.1 33 33 A A E -I 101 0D 47 -2,-0.4 2,-0.4 68,-0.2 68,-0.2 -0.923 8.9-175.7-106.3 135.2 -23.8 -1.4 -33.8 34 34 A I E -I 100 0D 4 66,-2.2 66,-2.6 -2,-0.5 2,-0.1 -0.992 15.0-140.7-133.4 126.8 -21.3 1.3 -32.9 35 35 A K > - 0 0 126 -2,-0.4 3,-1.8 64,-0.2 61,-0.4 -0.453 43.5 -74.0 -81.2 158.4 -22.1 4.7 -31.3 36 36 A K T 3 S+ 0 0 102 1,-0.3 61,-0.2 61,-0.1 -1,-0.2 -0.223 120.0 10.7 -47.6 129.3 -20.4 8.0 -32.2 37 37 A D T 3 S+ 0 0 66 59,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.671 106.2 114.2 67.7 24.5 -16.9 8.1 -30.8 38 38 A E < - 0 0 98 -3,-1.8 58,-2.4 58,-0.4 2,-0.4 -0.813 55.6-133.6-122.3 164.3 -16.9 4.4 -29.8 39 39 A F E + C 0 95A 63 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.909 20.3 173.9-120.9 140.1 -14.9 1.4 -31.0 40 40 A K E - C 0 94A 92 54,-2.5 54,-2.6 -2,-0.4 2,-0.7 -0.991 31.6-128.0-143.7 141.8 -15.8 -2.1 -31.9 41 41 A L E - C 0 93A 89 -2,-0.3 -2,-0.0 52,-0.2 54,-0.0 -0.777 28.1-148.7 -77.8 115.4 -13.9 -5.1 -33.4 42 42 A V E - C 0 92A 0 50,-3.0 50,-2.4 -2,-0.7 2,-0.1 -0.797 14.0-134.4 -88.3 112.0 -16.0 -6.2 -36.4 43 43 A P E - C 0 91A 36 0, 0.0 -14,-2.7 0, 0.0 -13,-0.4 -0.438 13.0-161.5 -68.3 137.5 -15.6 -10.0 -36.7 44 44 A L E - 0 0 4 46,-2.5 -17,-0.5 -16,-0.2 47,-0.1 0.472 27.7-130.3 -99.9 -4.5 -15.0 -11.0 -40.4 45 45 A G E + 0 0 2 45,-0.5 -37,-2.7 1,-0.2 2,-0.3 0.604 69.8 104.7 71.8 15.0 -15.9 -14.7 -40.0 46 46 A V E -B 7 0A 3 44,-0.3 44,-2.9 -39,-0.2 2,-0.3 -0.959 43.7-174.1-134.7 141.9 -12.8 -16.0 -41.6 47 47 A A E -BC 6 89A 0 -41,-2.3 -41,-2.9 -2,-0.3 2,-0.3 -0.970 20.5-169.8-128.6 144.6 -9.5 -17.7 -40.6 48 48 A M E -B 5 0A 0 40,-0.5 2,-0.7 35,-0.5 -43,-0.2 -0.988 29.7-144.0-143.3 146.8 -6.8 -18.4 -43.1 49 49 A E E -B 4 0A 62 -45,-2.6 -45,-1.7 -2,-0.3 35,-0.1 -0.941 33.8-157.0-106.0 106.6 -3.5 -20.2 -43.6 50 50 A L - 0 0 8 -2,-0.7 3,-0.1 31,-0.3 -47,-0.1 -0.331 30.6 -79.3 -80.1 162.9 -1.5 -17.9 -45.9 51 51 A P > - 0 0 15 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.313 59.8 -87.5 -63.6 144.6 1.3 -19.0 -48.1 52 52 A E T 3 S+ 0 0 177 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.263 115.9 19.0 -49.0 133.9 4.7 -19.6 -46.4 53 53 A G T 3 S+ 0 0 29 1,-0.3 63,-2.9 -3,-0.1 2,-0.3 0.523 106.4 106.9 80.1 6.9 6.6 -16.3 -46.4 54 54 A Y E < -G 115 0C 38 -3,-2.0 27,-0.6 61,-0.3 2,-0.3 -0.770 46.3-165.4-114.7 162.7 3.6 -14.1 -47.0 55 55 A E E -GH 114 80C 0 59,-2.7 59,-2.7 -2,-0.3 2,-0.3 -0.941 18.3-127.3-135.8 159.0 1.4 -11.7 -44.9 56 56 A A E -GH 113 79C 0 23,-2.7 23,-2.7 -2,-0.3 2,-0.4 -0.837 12.9-152.8-107.0 147.3 -2.0 -10.1 -45.5 57 57 A H E -GH 112 78C 6 55,-2.7 55,-1.5 -2,-0.3 2,-0.4 -0.983 9.3-162.5-117.1 135.9 -2.8 -6.4 -45.4 58 58 A V E +GH 111 77C 4 19,-2.2 19,-2.6 -2,-0.4 53,-0.2 -0.971 17.0 160.3-123.2 125.6 -6.3 -5.3 -44.5 59 59 A V E -G 110 0C 0 51,-2.1 51,-2.8 -2,-0.4 17,-0.1 -0.899 44.3 -87.1-132.2 165.0 -7.7 -1.7 -45.2 60 60 A P E -G 109 0C 1 0, 0.0 49,-0.2 0, 0.0 146,-0.2 -0.233 47.3-105.1 -61.8 159.8 -11.2 -0.3 -45.5 61 61 A R > - 0 0 60 47,-0.7 3,-1.2 1,-0.1 4,-0.5 -0.497 34.4-106.1 -76.5 162.7 -13.0 -0.3 -48.8 62 62 A S T 3 S+ 0 0 67 1,-0.2 3,-0.4 -2,-0.2 4,-0.4 0.893 120.9 42.1 -53.7 -42.1 -13.2 3.0 -50.6 63 63 A S T 3> S+ 0 0 32 1,-0.2 4,-2.3 2,-0.1 5,-0.3 0.402 86.2 97.3 -90.3 0.8 -16.9 3.3 -49.8 64 64 A T H <> S+ 0 0 1 -3,-1.2 4,-2.5 2,-0.2 6,-0.5 0.903 86.0 44.5 -58.9 -45.4 -16.7 2.2 -46.2 65 65 A Y H > S+ 0 0 33 -4,-0.5 4,-2.6 -3,-0.4 -1,-0.2 0.960 113.1 50.5 -67.0 -48.9 -16.6 5.7 -44.7 66 66 A K H 4 S+ 0 0 149 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 121.5 33.6 -53.7 -43.0 -19.4 7.1 -46.9 67 67 A N H < S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.791 135.5 19.4 -90.9 -26.6 -21.7 4.2 -46.0 68 68 A F H < S- 0 0 24 -4,-2.5 -3,-0.2 -5,-0.3 30,-0.2 0.553 84.8-131.0-123.3 -15.5 -20.8 3.4 -42.4 69 69 A G < + 0 0 0 -4,-2.6 28,-3.0 -5,-0.5 29,-0.5 0.731 63.2 128.8 72.6 22.4 -19.0 6.4 -40.9 70 70 A V E -D 96 0A 0 -6,-0.5 2,-0.3 26,-0.2 -1,-0.2 -0.846 41.8-161.3-112.4 149.1 -16.1 4.2 -39.6 71 71 A I E -D 95 0A 10 24,-2.3 24,-2.6 -2,-0.3 2,-0.7 -0.814 31.2-109.1-114.7 162.7 -12.3 4.5 -39.8 72 72 A Q E > -D 94 0A 6 131,-0.4 3,-2.0 -2,-0.3 22,-0.2 -0.847 23.5-151.6 -95.3 115.7 -9.8 1.6 -39.2 73 73 A T T 3 S+ 0 0 3 20,-1.7 258,-0.4 -2,-0.7 -1,-0.1 0.785 93.6 45.5 -66.9 -30.3 -8.0 2.4 -36.0 74 74 A N T 3 S- 0 0 10 19,-0.3 2,-2.5 1,-0.2 -1,-0.3 0.262 99.9-135.8 -92.6 11.8 -4.8 0.6 -36.8 75 75 A S S < S+ 0 0 6 -3,-2.0 2,-0.4 243,-0.1 131,-0.2 -0.443 83.5 13.4 69.5 -69.8 -4.7 2.1 -40.3 76 76 A M S S- 0 0 5 -2,-2.5 2,-0.4 258,-0.2 -17,-0.2 -0.999 80.4-135.9-136.3 130.5 -3.8 -1.2 -42.0 77 77 A G E -H 58 0C 7 -19,-2.6 -19,-2.2 -2,-0.4 2,-0.5 -0.748 12.5-149.2 -91.7 134.0 -4.0 -4.6 -40.3 78 78 A V E -H 57 0C 37 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.902 8.2-167.9-103.9 124.3 -1.1 -7.0 -40.8 79 79 A I E -H 56 0C 23 -23,-2.7 -23,-2.7 -2,-0.5 2,-0.1 -0.942 16.1-150.4-110.4 108.6 -1.9 -10.7 -40.7 80 80 A D E > -H 55 0C 30 -2,-0.6 3,-2.0 -25,-0.2 -30,-0.2 -0.374 26.8-111.1 -76.4 157.3 1.3 -12.8 -40.4 81 81 A E T 3 S+ 0 0 48 -27,-0.6 -31,-0.3 1,-0.3 -1,-0.1 0.786 117.1 65.5 -52.7 -29.6 1.7 -16.3 -41.9 82 82 A S T 3 S+ 0 0 80 1,-0.2 2,-2.0 -33,-0.1 -1,-0.3 0.658 77.1 84.0 -73.0 -18.3 1.8 -17.5 -38.3 83 83 A Y < + 0 0 72 -3,-2.0 -35,-0.5 1,-0.2 -1,-0.2 -0.531 59.0 115.9 -83.7 71.0 -1.9 -16.4 -37.6 84 84 A K + 0 0 111 -2,-2.0 -1,-0.2 -35,-0.1 -2,-0.1 0.180 36.8 127.6-127.3 9.4 -3.0 -19.7 -39.1 85 85 A G S > S- 0 0 26 -3,-0.2 3,-1.9 1,-0.1 -37,-0.1 -0.261 72.6-106.9 -75.2 163.5 -4.7 -21.5 -36.2 86 86 A D T 3 S+ 0 0 48 172,-0.5 -1,-0.1 1,-0.3 -39,-0.0 0.715 122.0 37.6 -62.5 -25.1 -8.2 -22.9 -36.0 87 87 A N T 3 S+ 0 0 130 1,-0.1 2,-1.5 2,-0.1 -1,-0.3 0.156 83.1 113.0-110.5 17.6 -9.4 -20.0 -33.8 88 88 A D < + 0 0 44 -3,-1.9 -40,-0.5 -40,-0.0 2,-0.2 -0.424 45.4 171.2 -91.4 64.5 -7.4 -17.3 -35.5 89 89 A F E -C 47 0A 40 -2,-1.5 -42,-0.3 -42,-0.2 2,-0.2 -0.451 30.0-117.9 -73.8 144.1 -10.4 -15.4 -37.0 90 90 A W E - 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