==== 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 08-NOV-10 2XX6 . 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 . 501 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 31.9 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 . 52 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 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 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 8 12 2 2 4 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 . 4 3 6 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 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 97 0, 0.0 246,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.0 16.1 22.6 18.7 2 2 A Q E -a 247 0A 89 244,-0.2 2,-0.4 16,-0.0 246,-0.2 -0.942 360.0-156.4-132.5 149.5 16.1 19.5 16.4 3 3 A I E -a 248 0A 0 244,-2.5 246,-2.6 -2,-0.4 2,-0.5 -0.996 20.9-143.7-111.6 128.9 14.3 17.9 13.5 4 4 A K E -aB 249 49A 66 45,-2.1 45,-2.2 -2,-0.4 2,-0.4 -0.852 20.2-162.6 -92.7 130.1 14.7 14.1 13.2 5 5 A I E -aB 250 48A 0 244,-2.8 246,-2.8 -2,-0.5 2,-0.4 -0.960 13.0-169.5-124.2 131.4 14.9 13.0 9.5 6 6 A K E - B 0 47A 31 41,-3.0 41,-2.1 -2,-0.4 2,-0.4 -0.972 16.6-143.8-113.6 127.6 14.4 9.6 8.0 7 7 A Y E - B 0 46A 13 -2,-0.4 39,-0.2 244,-0.4 38,-0.1 -0.751 15.3-130.1 -92.6 142.2 15.3 9.0 4.4 8 8 A L S S- 0 0 82 37,-2.7 2,-0.3 -2,-0.4 -1,-0.1 0.879 83.5 -19.9 -51.0 -44.1 13.3 6.7 2.1 9 9 A D S > S- 0 0 62 36,-0.3 3,-1.7 -3,-0.0 -1,-0.1 -0.947 74.0 -84.6-160.9-177.8 16.4 5.0 1.0 10 10 A E T 3 S+ 0 0 159 -2,-0.3 -2,-0.0 1,-0.3 -1,-0.0 0.689 115.6 62.5 -75.1 -14.9 20.1 5.1 0.7 11 11 A T T 3 S+ 0 0 75 18,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.493 76.6 109.7 -90.0 -5.2 20.1 7.0 -2.6 12 12 A Q S < S- 0 0 12 -3,-1.7 2,-0.4 1,-0.1 17,-0.1 -0.513 78.2-111.5 -73.0 139.1 18.4 10.1 -1.2 13 13 A T - 0 0 59 -2,-0.2 14,-0.1 1,-0.1 2,-0.1 -0.522 36.2-124.1 -69.1 124.8 20.6 13.2 -1.0 14 14 A R - 0 0 72 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 -0.439 28.4-178.2 -74.3 147.6 21.2 14.0 2.6 15 15 A I + 0 0 24 -2,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.005 30.2 148.1-126.0 17.6 20.4 17.4 4.1 16 16 A N + 0 0 65 231,-0.1 2,-0.3 -11,-0.0 233,-0.2 -0.404 19.4 157.6 -53.9 122.2 21.8 16.6 7.6 17 17 A K E -C 248 0A 76 231,-0.9 231,-3.4 -2,-0.1 3,-0.5 -0.963 39.5-135.2-150.9 140.9 23.1 19.8 9.1 18 18 A M E S+ 0 0 112 -2,-0.3 229,-0.2 229,-0.2 -16,-0.0 -0.706 93.0 11.9 -83.6 141.6 23.8 21.2 12.5 19 19 A E E S+ 0 0 131 -2,-0.3 2,-0.4 1,-0.2 228,-0.2 0.793 80.5 175.1 63.6 36.8 22.7 24.9 13.0 20 20 A Q E +C 246 0A 26 226,-2.4 226,-1.9 -3,-0.5 -1,-0.2 -0.593 7.2 160.6 -75.6 123.6 20.6 25.1 9.8 21 21 A G + 0 0 19 -2,-0.4 2,-0.3 224,-0.2 222,-0.2 0.352 43.9 62.3-128.9 8.1 18.8 28.4 9.7 22 22 A D S S- 0 0 23 1,-0.2 89,-0.1 220,-0.1 220,-0.0 -0.766 104.0 -57.0-124.2 175.0 17.6 29.5 6.3 23 23 A W - 0 0 19 -2,-0.3 2,-0.4 1,-0.1 89,-0.2 -0.201 58.1-129.8 -56.6 148.3 15.0 27.6 4.2 24 24 A I E -D 111 0B 3 87,-3.0 87,-2.4 -4,-0.1 2,-0.2 -0.880 16.0-125.1-111.0 130.3 16.0 24.0 3.6 25 25 A D E -D 110 0B 18 -2,-0.4 2,-0.3 85,-0.2 85,-0.3 -0.518 19.7-157.2 -82.0 139.7 15.9 22.5 0.0 26 26 A L E -D 109 0B 4 83,-2.9 82,-1.9 -2,-0.2 83,-1.5 -0.890 10.0-149.9-117.3 147.0 14.0 19.3 -0.7 27 27 A R E -D 107 0B 39 17,-0.5 80,-0.2 -2,-0.3 2,-0.1 -0.896 24.6 -97.1-124.0 146.8 14.7 16.9 -3.7 28 28 A A - 0 0 1 78,-2.3 77,-2.8 -2,-0.3 16,-0.2 -0.366 28.0-148.7 -58.6 131.0 12.9 14.6 -6.0 29 29 A A S S+ 0 0 3 14,-2.9 2,-0.3 75,-0.2 -1,-0.1 0.617 76.2 4.8 -83.6 -9.8 13.3 11.0 -4.6 30 30 A E S S- 0 0 107 13,-0.4 2,-0.2 73,-0.1 76,-0.1 -0.958 93.8 -75.6-163.5 164.9 13.1 9.4 -8.1 31 31 A D - 0 0 101 -2,-0.3 2,-0.4 72,-0.1 72,-0.2 -0.536 49.6-172.9 -70.4 138.7 13.0 10.4 -11.7 32 32 A V E -G 102 0C 14 70,-2.5 70,-2.8 -2,-0.2 2,-0.5 -0.999 14.2-158.7-136.3 133.0 9.5 11.6 -12.7 33 33 A A E -G 101 0C 47 -2,-0.4 2,-0.4 68,-0.2 68,-0.2 -0.946 13.4-174.1-108.7 130.4 8.1 12.5 -16.2 34 34 A I E -G 100 0C 3 66,-2.7 66,-2.3 -2,-0.5 2,-0.3 -0.993 15.5-139.9-129.6 129.3 5.1 14.7 -16.3 35 35 A K > - 0 0 135 -2,-0.4 3,-1.5 64,-0.2 61,-0.3 -0.696 42.7 -78.7 -91.5 141.1 3.2 15.6 -19.5 36 36 A K T 3 S+ 0 0 107 -2,-0.3 61,-0.2 1,-0.3 -1,-0.1 0.085 118.2 13.1 -42.0 134.6 1.9 19.1 -20.1 37 37 A D T 3 S+ 0 0 81 59,-3.0 2,-0.3 1,-0.3 -1,-0.3 0.690 104.8 113.5 63.4 27.1 -1.3 19.7 -18.1 38 38 A E < - 0 0 112 -3,-1.5 58,-2.6 58,-0.3 2,-0.3 -0.819 57.0-133.2-119.1 169.2 -0.9 16.6 -16.0 39 39 A F E +H 95 0D 66 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.857 19.2 178.0-123.2 143.5 -0.3 16.2 -12.3 40 40 A K E -H 94 0D 97 54,-2.4 54,-2.5 -2,-0.3 2,-0.9 -0.947 30.1-132.8-148.9 133.0 2.1 14.0 -10.3 41 41 A L E -H 93 0D 97 -2,-0.3 -2,-0.0 52,-0.2 54,-0.0 -0.772 32.1-152.0 -80.4 104.6 2.7 13.7 -6.6 42 42 A V E -H 92 0D 0 50,-3.2 50,-2.8 -2,-0.9 2,-0.1 -0.724 10.0-131.4 -86.0 120.2 6.5 13.9 -6.7 43 43 A P E -H 91 0D 17 0, 0.0 -14,-2.9 0, 0.0 -13,-0.4 -0.453 13.3-162.6 -72.6 145.7 8.0 12.0 -3.7 44 44 A L - 0 0 4 46,-2.5 -17,-0.5 -16,-0.2 47,-0.2 0.435 30.6-129.8-105.4 -8.7 10.6 14.0 -1.7 45 45 A G + 0 0 2 45,-0.6 -37,-2.7 1,-0.2 2,-0.3 0.623 68.2 104.7 80.4 16.0 12.1 10.9 0.0 46 46 A V E -B 7 0A 7 44,-0.3 44,-2.4 -39,-0.2 2,-0.3 -0.951 43.2-173.1-136.3 144.1 12.0 12.3 3.5 47 47 A A E -B 6 0A 0 -41,-2.1 -41,-3.0 -2,-0.3 2,-0.3 -0.969 21.1-169.6-131.1 147.1 10.0 11.8 6.7 48 48 A M E -B 5 0A 1 40,-0.5 2,-0.6 35,-0.5 -43,-0.2 -0.987 30.7-143.3-144.5 148.2 10.5 14.1 9.8 49 49 A E E -B 4 0A 53 -45,-2.2 -45,-2.1 -2,-0.3 35,-0.1 -0.957 32.7-155.7-107.0 108.2 9.7 14.6 13.4 50 50 A L - 0 0 9 -2,-0.6 -47,-0.1 31,-0.3 3,-0.1 -0.439 31.1 -84.5 -77.4 152.4 9.3 18.4 13.8 51 51 A P > - 0 0 15 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.341 61.4 -84.1 -57.3 146.9 9.9 20.0 17.3 52 52 A E T 3 S+ 0 0 176 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.235 115.2 18.8 -57.3 130.9 6.9 20.1 19.4 53 53 A G T 3 S+ 0 0 25 1,-0.3 63,-2.2 -3,-0.1 2,-0.3 0.610 105.6 107.9 86.7 11.8 4.5 22.9 18.8 54 54 A Y E < -E 115 0B 34 -3,-1.6 27,-0.8 61,-0.2 -1,-0.3 -0.782 46.9-162.8-116.9 160.7 5.9 23.6 15.3 55 55 A E E -EF 114 80B 0 59,-2.4 59,-2.8 -2,-0.3 2,-0.4 -0.940 17.2-125.0-133.7 161.8 4.8 23.1 11.7 56 56 A A E -EF 113 79B 0 23,-2.5 23,-2.8 -2,-0.3 2,-0.4 -0.897 12.3-153.7-107.0 145.1 6.6 23.1 8.4 57 57 A H E -EF 112 78B 5 55,-2.7 55,-1.5 -2,-0.4 2,-0.5 -0.964 10.7-164.1-115.0 131.8 5.8 25.3 5.3 58 58 A V E +EF 111 77B 6 19,-2.4 19,-2.3 -2,-0.4 53,-0.2 -0.948 16.3 159.9-123.2 120.2 6.7 24.0 1.9 59 59 A V E -E 110 0B 0 51,-2.4 51,-2.5 -2,-0.5 17,-0.1 -0.934 44.5 -87.6-130.4 162.3 6.9 26.1 -1.2 60 60 A P E -E 109 0B 4 0, 0.0 49,-0.3 0, 0.0 142,-0.2 -0.257 46.7-108.0 -58.9 155.1 8.6 25.9 -4.7 61 61 A R > - 0 0 13 47,-1.2 3,-1.5 1,-0.1 4,-0.5 -0.501 33.9-107.1 -74.3 156.2 12.1 27.2 -5.0 62 62 A S T 3 S+ 0 0 74 1,-0.3 4,-0.4 -2,-0.2 3,-0.3 0.825 120.6 45.7 -53.0 -34.5 12.4 30.4 -7.0 63 63 A S T 3> S+ 0 0 21 1,-0.2 4,-3.3 2,-0.1 5,-0.3 0.455 84.4 96.7 -88.8 -4.3 13.9 28.5 -9.9 64 64 A T H <> S+ 0 0 0 -3,-1.5 4,-2.6 1,-0.2 6,-0.6 0.896 86.9 44.1 -57.8 -45.1 11.4 25.5 -10.0 65 65 A Y H > S+ 0 0 20 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.950 116.3 46.5 -65.1 -49.4 9.2 26.9 -12.7 66 66 A K H 4 S+ 0 0 141 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.944 122.0 37.1 -55.7 -47.2 12.1 28.0 -14.9 67 67 A N H < S+ 0 0 72 -4,-3.3 -2,-0.2 1,-0.1 -1,-0.2 0.845 136.0 13.5 -75.6 -39.8 13.9 24.7 -14.5 68 68 A F H < S- 0 0 20 -4,-2.6 -3,-0.2 -5,-0.3 30,-0.2 0.452 86.4-126.8-127.8 -4.6 11.0 22.2 -14.5 69 69 A G < + 0 0 0 -4,-2.1 28,-3.0 -5,-0.5 29,-0.5 0.682 65.0 126.8 67.0 24.7 7.9 23.9 -15.7 70 70 A V E -I 96 0D 0 -6,-0.6 2,-0.3 26,-0.2 26,-0.2 -0.833 44.1-157.2-116.6 155.4 5.7 22.9 -12.7 71 71 A I E -I 95 0D 11 24,-2.2 24,-2.3 -2,-0.3 2,-0.7 -0.801 29.1-114.6-114.7 159.4 3.5 24.7 -10.1 72 72 A Q E > -I 94 0D 7 127,-0.4 3,-1.8 -2,-0.3 22,-0.2 -0.880 22.0-152.3 -98.1 117.0 2.6 23.4 -6.6 73 73 A T T 3 S+ 0 0 4 20,-2.3 253,-0.3 -2,-0.7 -1,-0.1 0.706 91.6 52.5 -71.6 -22.5 -1.1 22.8 -6.7 74 74 A N T 3 S- 0 0 16 19,-0.3 2,-2.4 1,-0.2 -1,-0.3 0.325 97.6-138.8 -87.4 6.1 -1.6 23.3 -2.9 75 75 A S S < S+ 0 0 7 -3,-1.8 2,-0.4 238,-0.1 127,-0.2 -0.449 81.3 11.4 67.0 -70.1 0.2 26.7 -3.0 76 76 A M S S- 0 0 8 -2,-2.4 2,-0.3 253,-0.2 -17,-0.2 -0.991 80.5-133.4-136.7 129.3 2.1 26.1 0.3 77 77 A G E -F 58 0B 7 -19,-2.3 -19,-2.4 -2,-0.4 2,-0.5 -0.658 13.1-154.0 -81.0 139.3 2.2 22.7 2.1 78 78 A V E -F 57 0B 38 -2,-0.3 2,-0.6 -21,-0.2 -21,-0.2 -0.981 8.7-169.8-117.2 115.3 1.5 22.7 5.8 79 79 A I E -F 56 0B 24 -23,-2.8 -23,-2.5 -2,-0.5 2,-0.1 -0.921 14.1-147.3-110.7 110.2 3.1 19.8 7.6 80 80 A D E > -F 55 0B 30 -2,-0.6 3,-2.0 -25,-0.2 -25,-0.2 -0.413 25.3-111.7 -77.5 156.0 1.9 19.5 11.2 81 81 A E T 3 S+ 0 0 49 -27,-0.8 -31,-0.3 1,-0.3 -1,-0.1 0.820 115.7 65.4 -51.7 -26.9 4.1 18.2 14.1 82 82 A S T 3 S+ 0 0 82 1,-0.2 2,-1.8 -33,-0.1 -1,-0.3 0.670 77.9 84.5 -74.3 -15.3 1.7 15.2 14.3 83 83 A Y < + 0 0 85 -3,-2.0 -35,-0.5 1,-0.2 -1,-0.2 -0.504 59.4 113.9 -86.6 68.3 2.9 14.0 10.8 84 84 A K + 0 0 100 -2,-1.8 -1,-0.2 -37,-0.1 2,-0.1 0.033 35.7 127.7-131.5 19.6 5.9 12.2 12.3 85 85 A G S > S- 0 0 25 -3,-0.1 3,-2.0 1,-0.1 -37,-0.1 -0.404 73.4-102.1 -86.5 164.7 5.4 8.5 11.7 86 86 A D T 3 S+ 0 0 57 1,-0.3 -1,-0.1 168,-0.1 168,-0.0 0.683 122.7 35.7 -59.4 -22.2 7.8 6.1 10.2 87 87 A N T 3 S+ 0 0 129 1,-0.1 2,-1.7 167,-0.1 -1,-0.3 0.106 82.2 116.1-114.1 20.0 5.8 6.1 6.8 88 88 A D < + 0 0 45 -3,-2.0 -40,-0.5 -40,-0.0 2,-0.1 -0.465 46.9 173.4 -87.1 66.9 4.8 9.8 6.8 89 89 A F - 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