==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JUN-10 2XH3 . COMPND 2 MOLECULE: SPD1 NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES SEROTYPE M1; . AUTHOR J.E.KORCZYNSKA,J.P.TURKENBURG,E.J.TAYLOR . 352 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 6 3 3 2 2 0 0 2 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 . 2 2 0 0 0 2 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 48 A T 0 0 130 0, 0.0 135,-0.1 0, 0.0 134,-0.0 0.000 360.0 360.0 360.0 360.0 -12.2 48.2 51.5 2 ! 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 3 50 A S > 0 0 25 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.9 -12.7 43.5 50.5 4 51 A S T 3 + 0 0 129 1,-0.2 0, 0.0 4,-0.0 0, 0.0 0.706 360.0 70.2 -73.1 -20.0 -10.4 42.2 53.3 5 52 A K T 3 S+ 0 0 75 2,-0.1 -1,-0.2 104,-0.0 2,-0.2 0.731 90.4 76.6 -67.2 -22.6 -7.8 41.1 50.7 6 53 A L S < S- 0 0 13 -3,-0.7 3,-0.1 1,-0.1 26,-0.1 -0.504 90.2-100.5 -98.4 155.7 -6.8 44.7 49.9 7 54 A L - 0 0 5 -2,-0.2 -1,-0.1 24,-0.1 -2,-0.1 -0.518 55.6 -93.7 -63.4 134.7 -4.7 47.4 51.7 8 55 A P - 0 0 83 0, 0.0 2,-1.5 0, 0.0 3,-0.2 -0.359 44.1-114.7 -54.8 130.1 -7.1 49.9 53.5 9 56 A F + 0 0 45 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 -0.503 52.2 154.9 -74.8 84.9 -7.7 52.8 51.1 10 57 A T - 0 0 84 -2,-1.5 -1,-0.2 2,-0.3 3,-0.1 0.808 59.5-117.9 -74.5 -26.8 -6.0 55.9 52.8 11 58 A A S S+ 0 0 49 1,-0.4 2,-0.3 -3,-0.2 -2,-0.1 0.555 82.1 99.6 85.4 18.8 -5.6 57.6 49.3 12 59 A N S S- 0 0 104 21,-0.0 -1,-0.4 1,-0.0 -2,-0.3 -0.919 86.9 -83.4-120.6 158.4 -1.8 57.7 49.6 13 60 A Y - 0 0 81 -2,-0.3 2,-0.4 -3,-0.1 20,-0.2 -0.308 51.4-167.5 -50.8 133.0 0.9 55.5 48.1 14 61 A Q E -A 32 0A 34 18,-2.2 18,-2.1 2,-0.0 2,-0.4 -0.995 20.6-178.1-138.1 131.0 1.4 52.3 50.3 15 62 A L E +A 31 0A 59 -2,-0.4 2,-0.6 16,-0.2 16,-0.2 -0.917 8.8 179.2-123.6 104.7 4.1 49.7 50.4 16 63 A Q E -A 30 0A 97 14,-2.3 14,-2.2 -2,-0.4 2,-0.4 -0.922 8.4-165.0-102.6 115.6 3.5 46.9 53.0 17 64 A L E -A 29 0A 39 -2,-0.6 12,-0.2 12,-0.2 2,-0.1 -0.841 20.4-126.8 -92.7 133.6 6.2 44.2 53.1 18 65 A G - 0 0 2 10,-2.1 9,-0.3 -2,-0.4 10,-0.3 -0.485 33.2-107.7 -71.5 149.4 5.3 40.9 54.9 19 66 A E - 0 0 128 -2,-0.1 2,-0.2 1,-0.1 8,-0.1 -0.378 41.0 -89.8 -70.5 160.2 8.0 40.0 57.5 20 67 A L - 0 0 63 6,-0.1 6,-0.2 1,-0.1 -1,-0.1 -0.515 48.2-126.1 -65.8 133.2 10.3 37.0 56.9 21 68 A D > - 0 0 24 4,-2.3 3,-2.7 -2,-0.2 -1,-0.1 0.017 39.6 -75.9 -72.6-172.9 8.8 33.7 58.2 22 69 A N T 3 S+ 0 0 144 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.752 135.1 49.8 -58.6 -24.6 10.4 31.3 60.6 23 70 A L T 3 S- 0 0 62 2,-0.1 -1,-0.3 95,-0.1 -2,-0.1 0.198 120.0-107.1 -98.6 13.9 12.6 30.0 57.7 24 71 A N S < S+ 0 0 126 -3,-2.7 2,-0.4 1,-0.2 -2,-0.1 0.739 72.2 145.6 67.6 26.5 13.7 33.5 56.6 25 72 A R - 0 0 27 1,-0.1 -4,-2.3 -6,-0.1 -1,-0.2 -0.747 57.1-106.9 -98.9 142.0 11.5 33.4 53.5 26 73 A A - 0 0 1 38,-0.4 -6,-0.1 -2,-0.4 -7,-0.1 -0.346 30.9-169.6 -57.5 142.7 9.7 36.4 52.0 27 74 A T - 0 0 31 1,-0.4 2,-0.3 -9,-0.3 -1,-0.1 0.672 53.6 -33.5-112.1 -29.4 5.9 36.1 52.7 28 75 A F - 0 0 46 34,-0.4 -10,-2.1 -10,-0.3 -1,-0.4 -0.948 38.6-143.6-177.4 167.2 4.3 38.9 50.5 29 76 A S E -AB 17 110A 0 81,-1.6 81,-3.0 -2,-0.3 2,-0.4 -0.953 21.0-170.7-147.2 128.5 4.6 42.3 49.0 30 77 A H E -AB 16 109A 5 -14,-2.2 -14,-2.3 -2,-0.4 2,-0.4 -0.987 4.0-178.2-132.9 126.3 1.6 44.5 48.8 31 78 A I E -AB 15 108A 0 77,-3.1 77,-3.5 -2,-0.4 2,-0.4 -0.965 15.7-172.1-133.4 139.8 1.3 47.9 46.9 32 79 A Q E +AB 14 107A 0 -18,-2.1 -18,-2.2 -2,-0.4 2,-0.3 -0.977 36.0 137.8-126.9 117.1 -1.4 50.5 46.4 33 80 A L E - B 0 106A 2 73,-2.2 73,-3.7 -2,-0.4 2,-0.3 -0.938 40.7-125.9-154.6 170.5 -0.5 53.1 43.9 34 81 A Q >> - 0 0 19 -2,-0.3 3,-2.2 71,-0.2 4,-0.7 -0.770 40.9 -99.2-116.6 163.4 -1.3 55.4 41.0 35 82 A D G >4 S+ 0 0 43 69,-0.4 3,-0.8 63,-0.4 64,-0.1 0.889 121.2 59.6 -47.3 -41.6 0.2 56.1 37.5 36 83 A R G 34 S+ 0 0 164 66,-0.3 -1,-0.3 1,-0.2 63,-0.0 0.648 96.9 61.8 -64.6 -11.9 1.9 59.2 39.0 37 84 A H G <4 0 0 51 -3,-2.2 -1,-0.2 0, 0.0 -2,-0.2 0.778 360.0 360.0 -86.1 -26.4 3.8 57.1 41.6 38 85 A E << 0 0 127 -3,-0.8 16,-0.2 -4,-0.7 15,-0.1 0.260 360.0 360.0 -26.1 360.0 5.8 55.0 39.0 39 ! 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 40 113 A S 0 0 165 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.8 25.8 19.5 37.6 41 114 A S - 0 0 60 135,-0.1 135,-0.2 133,-0.0 2,-0.2 -0.718 360.0-143.5-128.8 155.3 23.7 22.4 38.9 42 115 A W E -G 175 0B 112 133,-2.2 133,-2.8 -2,-0.3 2,-0.3 -0.657 30.0-107.5-111.1 166.4 23.4 26.2 39.6 43 116 A V E -G 174 0B 113 131,-0.2 131,-0.2 -2,-0.2 130,-0.1 -0.752 44.5-104.1 -92.9 145.6 21.7 28.2 42.4 44 117 A M - 0 0 17 129,-2.2 2,-0.1 -2,-0.3 24,-0.1 -0.354 26.8-116.6 -78.8 148.3 18.6 30.1 41.4 45 118 A N - 0 0 118 22,-0.4 22,-2.5 -2,-0.1 2,-0.4 -0.438 29.5-116.8 -73.8 151.9 18.4 33.9 40.9 46 119 A R E -I 66 0C 136 20,-0.2 2,-0.3 -2,-0.1 20,-0.3 -0.792 30.8-161.5 -93.0 131.6 16.1 35.9 43.1 47 120 A G E -I 65 0C 13 18,-3.4 18,-2.0 -2,-0.4 21,-0.0 -0.869 23.3-100.7-111.4 155.0 13.2 37.6 41.4 48 121 A H E -I 64 0C 66 -2,-0.3 16,-0.2 16,-0.2 3,-0.2 -0.243 16.6-156.7 -60.1 145.5 11.1 40.5 42.6 49 122 A L S S+ 0 0 0 14,-2.2 2,-0.7 1,-0.4 -1,-0.1 0.871 93.6 29.6 -88.6 -63.6 7.6 39.9 44.1 50 123 A V S S- 0 0 0 13,-0.1 -1,-0.4 60,-0.1 5,-0.2 -0.874 110.0-107.8 -92.8 119.3 6.3 43.4 43.4 51 124 A G >> - 0 0 3 -2,-0.7 3,-1.6 -3,-0.2 4,-1.5 -0.036 15.3-120.4 -50.7 144.0 8.1 44.5 40.2 52 125 A Y H 3> S+ 0 0 133 1,-0.3 4,-2.5 2,-0.2 3,-0.2 0.893 111.6 65.8 -49.8 -45.7 10.8 47.2 40.5 53 126 A Q H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.787 110.8 36.7 -49.9 -29.7 8.7 49.4 38.0 54 127 A F H <4 S+ 0 0 6 -3,-1.6 -1,-0.2 -16,-0.2 -2,-0.2 0.846 130.5 21.1 -87.2 -37.9 6.0 49.7 40.7 55 128 A C H < S- 0 0 13 -4,-1.5 -3,-0.2 -3,-0.2 -2,-0.2 0.609 80.9-135.7-122.0 -18.3 7.9 49.9 44.1 56 129 A G < + 0 0 39 -4,-2.5 -4,-0.1 -5,-0.3 2,-0.1 0.400 46.6 161.6 81.6 -0.7 11.4 51.1 43.4 57 130 A L - 0 0 43 -6,-0.2 2,-0.6 -7,-0.2 -1,-0.2 -0.292 29.5-152.2 -71.4 133.5 12.8 48.5 45.7 58 131 A N - 0 0 104 1,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.888 67.5 -41.7-110.6 110.8 16.4 47.5 45.6 59 132 A D S S+ 0 0 120 -2,-0.6 -1,-0.2 1,-0.2 5,-0.1 0.866 76.4 168.5 23.4 72.6 17.3 44.1 46.7 60 133 A E > - 0 0 34 -3,-0.1 3,-3.3 1,-0.1 -1,-0.2 -0.967 33.3-142.2-102.8 111.5 15.0 44.2 49.7 61 134 A P G > S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 -35,-0.2 0.738 98.3 62.8 -50.7 -26.7 14.9 40.6 50.8 62 135 A R G 3 S+ 0 0 99 1,-0.3 -34,-0.4 -36,-0.1 -44,-0.3 0.540 105.7 46.7 -79.6 -6.2 11.2 40.8 51.7 63 136 A N G < S+ 0 0 1 -3,-3.3 -14,-2.2 -46,-0.1 2,-0.4 0.143 102.9 80.2-115.9 13.8 10.5 41.5 48.0 64 137 A L E < +I 48 0C 23 -3,-1.3 -38,-0.4 -16,-0.2 2,-0.3 -0.959 44.4 166.9-126.3 142.2 12.7 38.6 46.6 65 138 A V E -I 47 0C 1 -18,-2.0 -18,-3.4 -2,-0.4 2,-0.1 -0.971 48.0 -91.1-145.3 152.7 12.3 34.8 46.1 66 139 A A E +I 46 0C 3 53,-0.4 2,-0.3 -2,-0.3 -20,-0.2 -0.472 59.9 170.0 -59.8 138.8 14.2 32.2 44.2 67 140 A M - 0 0 9 -22,-2.5 -22,-0.4 -2,-0.1 2,-0.1 -0.997 36.4-111.6-158.0 142.2 12.5 32.1 40.7 68 141 A T > - 0 0 9 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.414 28.2-124.3 -72.7 158.3 13.0 30.6 37.2 69 142 A A H > S+ 0 0 54 2,-0.2 4,-2.9 1,-0.2 6,-0.7 0.828 113.7 60.6 -65.5 -29.3 13.8 33.1 34.4 70 143 A W H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 106.8 42.9 -70.8 -42.5 10.7 31.5 32.7 71 144 A L H 4 S+ 0 0 0 91,-0.4 16,-3.6 2,-0.2 17,-0.3 0.923 118.8 43.9 -65.9 -44.2 8.4 32.6 35.5 72 145 A A H < S+ 0 0 29 -4,-2.1 16,-0.6 14,-0.2 -2,-0.2 0.901 134.1 13.9 -70.6 -37.7 9.9 36.1 35.8 73 146 A T H < S- 0 0 32 -4,-2.9 7,-2.9 2,-0.3 10,-0.2 0.619 91.3-119.0-116.5 -12.6 10.1 36.9 32.2 74 147 A G S < S+ 0 0 2 -4,-2.2 2,-0.3 -5,-0.5 -4,-0.2 0.442 87.6 75.4 82.6 0.6 8.1 34.4 30.2 75 148 A A S S- 0 0 14 -6,-0.7 -2,-0.3 3,-0.2 -1,-0.2 -0.975 85.8-118.2-149.2 156.4 11.3 33.3 28.4 76 149 A Y S S- 0 0 130 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.892 106.4 -4.4 -61.7 -41.7 14.5 31.3 28.7 77 150 A S S S+ 0 0 108 -3,-0.1 2,-0.7 -4,-0.1 -1,-0.3 -0.986 125.6 15.9-151.0 158.1 16.3 34.6 28.1 78 151 A G S S- 0 0 63 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.2 -0.832 99.9 -73.3 83.4-119.2 15.3 38.1 27.3 79 152 A A - 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