==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-NOV-05 2D7U . COMPND 2 MOLECULE: ADENYLOSUCCINATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.XIE,S.KISHISITA,K.MURAYAMA,M.SHIROUZU,S.YOKOYAMA,RIKEN STR . 321 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 0 1 0 2 0 3 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 2 2 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 0 0 0 1 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 0 119 0, 0.0 157,-0.5 0, 0.0 199,-0.2 0.000 360.0 360.0 360.0 167.2 23.9 -17.6 46.0 2 2 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 197,-0.1 0.103 360.0-149.9 -28.0 91.0 27.4 -16.5 47.0 3 3 A S - 0 0 4 195,-0.3 198,-3.4 154,-0.1 197,-0.7 -0.492 9.7-149.6 -71.0 138.0 27.0 -12.8 47.0 4 4 A V E -ab 159 201A 4 154,-1.6 156,-2.4 -2,-0.2 2,-0.5 -0.948 11.2-164.9-119.2 130.3 30.2 -10.9 46.1 5 5 A I E -ab 160 202A 3 196,-2.0 198,-2.5 -2,-0.5 2,-0.6 -0.949 9.4-157.1-112.5 122.1 31.3 -7.5 47.3 6 6 A V E +ab 161 203A 0 154,-2.7 156,-3.2 -2,-0.5 2,-0.3 -0.882 23.6 156.3-104.6 122.7 34.1 -5.8 45.4 7 7 A V E - b 0 204A 1 196,-2.3 198,-2.6 -2,-0.6 2,-0.3 -0.924 38.0-109.4-138.4 162.3 36.2 -3.1 47.2 8 8 A G E -ab 165 205A 1 156,-0.6 158,-2.0 -2,-0.3 198,-0.1 -0.715 10.9-162.6 -97.1 146.1 39.6 -1.6 46.9 9 9 A G S S+ 0 0 0 196,-2.0 247,-0.2 -2,-0.3 156,-0.1 0.216 77.4 42.2-108.0 13.5 42.4 -2.1 49.4 10 10 A Q S S- 0 0 2 195,-0.2 157,-2.5 154,-0.1 158,-0.6 -0.088 115.1 -55.9-125.9-134.9 44.5 0.9 48.3 11 11 A W S S- 0 0 12 1,-0.4 153,-0.1 200,-0.3 202,-0.1 -0.314 87.1 -85.8-113.4 48.3 43.7 4.4 47.3 12 12 A G S S+ 0 0 4 152,-0.1 -1,-0.4 151,-0.1 199,-0.3 0.100 103.9 75.1 73.4 168.8 41.2 3.8 44.5 13 13 A D + 0 0 48 1,-0.1 -1,-0.1 -3,-0.1 152,-0.1 0.723 52.9 137.0 62.6 23.0 41.8 3.1 40.8 14 14 A E S S- 0 0 0 150,-0.2 192,-0.2 191,-0.1 254,-0.1 0.578 84.1 -95.3 -75.0 -7.9 42.9 -0.4 41.7 15 15 A G S > S+ 0 0 20 190,-0.1 4,-1.5 192,-0.1 3,-0.4 0.721 71.5 152.9 100.4 27.1 40.9 -1.6 38.7 16 16 A K H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.862 71.1 61.4 -55.3 -36.7 37.7 -2.5 40.5 17 17 A G H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 101.5 49.5 -56.8 -49.2 35.8 -1.8 37.2 18 18 A S H > S+ 0 0 17 -3,-0.4 4,-2.3 26,-0.3 -1,-0.2 0.911 111.5 48.8 -57.8 -46.7 37.6 -4.4 35.2 19 19 A I H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.926 110.5 49.7 -60.3 -48.4 37.0 -7.2 37.8 20 20 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.891 110.1 52.7 -58.5 -40.4 33.3 -6.4 38.1 21 21 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.928 109.3 48.6 -61.1 -47.4 33.0 -6.5 34.3 22 22 A Y H >X S+ 0 0 31 -4,-2.3 4,-3.2 1,-0.2 3,-0.7 0.955 113.7 45.0 -57.6 -54.4 34.7 -9.9 34.2 23 23 A L H 3X>S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 5,-0.9 0.841 107.2 60.7 -59.7 -35.8 32.4 -11.4 36.9 24 24 A S H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.843 116.8 30.5 -61.7 -34.7 29.4 -9.8 35.3 25 25 A L H <<5S+ 0 0 61 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.859 125.5 42.2 -92.0 -42.7 30.0 -11.8 32.1 26 26 A H H <5S+ 0 0 106 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.918 129.7 27.1 -72.0 -45.6 31.6 -14.9 33.4 27 27 A D T <5S- 0 0 50 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.2 0.717 92.8-148.2 -89.0 -24.3 29.3 -15.4 36.4 28 28 A E < - 0 0 96 -5,-0.9 129,-0.2 1,-0.1 -4,-0.2 0.948 17.6-159.9 55.3 57.4 26.3 -13.6 34.9 29 29 A P - 0 0 1 0, 0.0 129,-0.2 0, 0.0 -1,-0.1 -0.308 18.7-136.2 -65.6 151.0 24.8 -12.2 38.1 30 30 A E S S+ 0 0 104 127,-1.7 37,-2.4 1,-0.2 2,-0.4 0.762 89.4 33.6 -79.2 -25.4 21.2 -11.1 38.0 31 31 A I E -cd 67 158A 8 126,-1.4 128,-3.1 35,-0.2 2,-0.4 -0.994 56.8-173.3-134.9 139.0 21.9 -7.9 39.9 32 32 A I E - d 0 159A 0 35,-2.4 37,-0.4 -2,-0.4 128,-0.2 -0.755 18.5-174.7-131.3 84.0 24.9 -5.5 39.8 33 33 A A E - d 0 160A 0 126,-0.9 128,-1.8 -2,-0.4 2,-0.4 -0.475 14.7-138.8 -80.8 151.4 24.4 -2.9 42.5 34 34 A R E +ed 70 161A 3 35,-1.8 37,-2.6 126,-0.2 128,-0.2 -0.899 25.5 169.3-112.8 139.5 26.8 0.1 42.9 35 35 A G + 0 0 0 126,-3.5 2,-0.2 -2,-0.4 153,-0.1 -0.405 28.6 75.3-126.4-156.5 28.0 1.4 46.3 36 36 A G S S- 0 0 0 -2,-0.1 39,-0.1 126,-0.1 146,-0.1 -0.575 93.2 -39.3 89.6-150.5 30.6 3.8 47.7 37 37 A V S S- 0 0 0 -2,-0.2 38,-3.1 37,-0.1 -1,-0.1 0.948 82.7 -90.0 -80.9 -85.3 30.4 7.6 47.6 38 38 A G S S- 0 0 0 36,-0.2 3,-0.1 38,-0.0 -1,-0.1 -0.128 72.8 -30.3-155.4-104.5 29.1 8.9 44.3 39 39 A T S S+ 0 0 0 1,-0.1 17,-0.1 3,-0.1 37,-0.0 0.228 93.6 105.5-121.1 11.2 30.6 9.9 41.0 40 40 A N S S+ 0 0 50 15,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.363 78.6 63.4 -74.1 8.4 34.0 11.1 42.1 41 41 A A - 0 0 13 14,-0.3 2,-0.7 -3,-0.1 -1,-0.1 -0.993 66.3-160.0-137.4 128.6 35.4 7.8 40.7 42 42 A G - 0 0 5 -2,-0.4 13,-0.3 11,-0.0 195,-0.1 -0.738 12.5-158.2-111.6 85.2 35.4 6.7 37.1 43 43 A H E -K 54 0B 15 11,-1.3 11,-2.5 -2,-0.7 2,-0.3 -0.399 16.9-155.2 -61.4 128.3 35.8 2.9 37.0 44 44 A S E +K 53 0B 37 9,-0.2 -26,-0.3 -2,-0.1 2,-0.3 -0.741 17.7 179.1-110.9 158.0 37.1 1.9 33.5 45 45 A V E -K 52 0B 5 7,-1.3 7,-2.7 -2,-0.3 2,-0.7 -0.977 24.1-133.8-154.8 140.4 37.0 -1.2 31.4 46 46 A V E -Kl 51 313B 17 266,-0.9 2,-0.9 -2,-0.3 268,-0.5 -0.870 19.0-169.0-102.3 110.6 38.3 -2.2 28.0 47 47 A I E > S-K 50 0B 27 3,-3.0 3,-1.3 -2,-0.7 266,-0.1 -0.812 72.0 -38.3-103.2 96.4 35.7 -4.0 25.9 48 48 A N T 3 S- 0 0 127 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.922 126.9 -36.5 55.9 50.1 37.3 -5.4 22.8 49 49 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.176 117.0 110.0 92.5 -18.7 39.6 -2.4 22.2 50 50 A K E < -K 47 0B 111 -3,-1.3 -3,-3.0 0, 0.0 2,-0.4 -0.826 60.6-142.3 -97.6 123.9 37.2 0.2 23.4 51 51 A K E -K 46 0B 134 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.690 19.4-168.9 -87.1 130.7 37.9 1.9 26.6 52 52 A Y E -K 45 0B 35 -7,-2.7 -7,-1.3 -2,-0.4 2,-0.3 -0.810 10.3-169.1-117.5 158.7 34.9 2.8 28.9 53 53 A A E +K 44 0B 41 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.876 6.9 178.6-152.1 113.7 34.6 4.9 32.0 54 54 A V E +K 43 0B 5 -11,-2.5 -11,-1.3 -2,-0.3 5,-0.1 -0.920 14.3 173.0-118.7 143.2 31.5 5.0 34.3 55 55 A R S S+ 0 0 60 -2,-0.4 -14,-0.3 -13,-0.3 -1,-0.1 0.583 85.1 20.5-118.9 -21.3 31.1 7.1 37.5 56 56 A Q S S+ 0 0 0 24,-0.2 25,-0.1 1,-0.1 3,-0.1 0.763 110.2 65.9-112.8 -58.4 27.4 6.4 38.4 57 57 A I S S- 0 0 0 1,-0.1 -1,-0.1 24,-0.1 4,-0.1 -0.469 93.9 -97.3 -72.7 137.7 26.3 3.3 36.6 58 58 A P > - 0 0 0 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.020 28.2-116.1 -48.7 159.1 27.8 -0.0 37.7 59 59 A T T 3 S+ 0 0 0 1,-0.2 3,-0.2 2,-0.1 -35,-0.1 0.057 104.0 78.6 -88.9 26.0 30.7 -1.5 35.7 60 60 A G T > + 0 0 0 -28,-0.2 3,-1.6 1,-0.1 -1,-0.2 0.048 51.3 116.6-119.8 24.1 28.6 -4.5 34.8 61 61 A F T < + 0 0 0 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.749 62.2 73.2 -63.6 -25.8 26.6 -2.8 32.1 62 62 A M T 3 S+ 0 0 18 1,-0.2 2,-1.4 -3,-0.2 -1,-0.3 0.698 79.7 82.1 -63.1 -17.6 28.0 -5.2 29.5 63 63 A Q < - 0 0 10 -3,-1.6 -1,-0.2 1,-0.2 3,-0.1 -0.675 61.1-179.5 -90.9 83.9 25.8 -7.8 31.0 64 64 A T S S+ 0 0 81 -2,-1.4 2,-2.0 1,-0.3 -1,-0.2 0.860 72.9 67.1 -51.0 -42.2 22.5 -7.0 29.3 65 65 A K S S+ 0 0 122 -3,-0.2 -1,-0.3 2,-0.0 2,-0.2 -0.426 94.5 68.8 -82.4 65.6 20.7 -9.8 31.1 66 66 A A S S- 0 0 11 -2,-2.0 2,-0.2 -3,-0.1 -35,-0.2 -0.861 79.8-111.7-177.1 141.6 21.0 -8.2 34.6 67 67 A R B -c 31 0A 80 -37,-2.4 -35,-2.4 -2,-0.2 2,-0.7 -0.590 21.7-143.3 -83.8 142.8 19.6 -5.2 36.4 68 68 A L E + f 0 97A 0 28,-3.5 30,-3.0 -2,-0.2 2,-0.3 -0.910 26.5 179.8-108.8 107.7 21.9 -2.3 37.4 69 69 A L E - f 0 98A 0 -2,-0.7 -35,-1.8 -37,-0.4 2,-0.5 -0.713 20.6-144.4-108.8 159.6 21.0 -0.9 40.8 70 70 A I E -ef 34 99A 0 28,-1.4 30,-1.4 -2,-0.3 74,-0.2 -0.978 25.6-119.6-126.0 118.7 22.4 2.0 42.9 71 71 A G > - 0 0 0 -37,-2.6 3,-1.3 -2,-0.5 121,-0.3 -0.077 17.4-123.3 -53.5 152.8 22.6 1.7 46.7 72 72 A A T 3 S+ 0 0 17 119,-0.9 32,-0.6 1,-0.3 120,-0.2 0.790 110.9 63.2 -68.3 -28.8 20.7 4.3 48.8 73 73 A G T 3 S+ 0 0 24 118,-1.7 2,-0.4 30,-0.1 -1,-0.3 0.342 89.3 93.5 -78.9 9.3 23.9 5.2 50.5 74 74 A V S < S- 0 0 0 -3,-1.3 30,-0.3 117,-0.3 2,-0.3 -0.864 77.7-124.4-107.5 136.7 25.3 6.4 47.2 75 75 A L - 0 0 1 -38,-3.1 2,-0.4 -2,-0.4 30,-0.2 -0.566 25.0-152.1 -77.7 138.2 25.1 10.0 46.0 76 76 A V B -m 105 0C 0 28,-2.8 30,-2.2 -2,-0.3 3,-0.1 -0.947 9.2-160.8-118.1 131.6 23.4 10.5 42.6 77 77 A D >> - 0 0 4 -2,-0.4 4,-2.6 28,-0.2 3,-0.8 -0.891 8.2-156.0-112.2 101.2 24.1 13.3 40.1 78 78 A P H 3> S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.804 92.4 56.6 -41.4 -41.3 21.2 13.6 37.6 79 79 A E H 3> S+ 0 0 116 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.924 113.9 36.4 -61.7 -47.5 23.6 15.2 35.1 80 80 A V H <> S+ 0 0 6 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.816 111.8 61.5 -76.3 -31.9 26.1 12.3 35.0 81 81 A F H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.963 110.4 37.9 -58.7 -55.1 23.4 9.7 35.3 82 82 A F H X S+ 0 0 71 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.829 111.9 60.3 -66.5 -33.3 21.6 10.6 32.1 83 83 A H H X S+ 0 0 108 -4,-1.2 4,-2.1 -5,-0.3 3,-0.4 0.926 108.2 43.7 -60.2 -45.6 24.9 11.3 30.4 84 84 A E H X S+ 0 0 6 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.785 105.1 62.7 -70.7 -28.9 26.0 7.7 30.9 85 85 A L H < S+ 0 0 13 -4,-1.4 9,-0.3 2,-0.2 8,-0.3 0.823 110.5 41.0 -64.8 -29.5 22.6 6.3 30.0 86 86 A E H >< S+ 0 0 106 -4,-1.3 3,-1.7 -3,-0.4 4,-0.2 0.872 112.1 53.7 -83.5 -42.1 23.3 7.8 26.5 87 87 A Q H 3< S+ 0 0 83 -4,-2.1 3,-0.3 1,-0.3 -2,-0.2 0.803 118.9 37.0 -61.8 -29.2 26.9 6.7 26.5 88 88 A L T ><>S+ 0 0 1 -4,-2.1 3,-2.1 1,-0.2 5,-0.9 0.030 78.7 118.5-111.1 24.4 25.7 3.2 27.2 89 89 A K G X 5 + 0 0 107 -3,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.766 68.9 66.5 -61.0 -24.5 22.6 3.4 25.0 90 90 A D G 3 5S+ 0 0 125 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.622 102.5 46.7 -71.9 -12.7 24.1 0.6 23.0 91 91 A F G < 5S- 0 0 33 -3,-2.1 -1,-0.2 -6,-0.2 -2,-0.2 0.369 107.7-127.0-107.6 0.4 23.7 -1.7 26.0 92 92 A N T X 5 + 0 0 98 -3,-1.0 3,-0.8 -4,-0.3 4,-0.4 0.910 52.1 155.4 53.5 49.0 20.1 -0.5 26.7 93 93 A V G >>< + 0 0 0 -5,-0.9 3,-1.8 -8,-0.3 4,-0.7 0.873 60.7 73.2 -71.2 -37.1 20.9 0.3 30.4 94 94 A K G 34 S+ 0 0 132 -9,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.675 98.2 51.0 -50.6 -18.2 18.0 2.8 30.5 95 95 A D G <4 S+ 0 0 127 -3,-0.8 -1,-0.3 1,-0.1 -2,-0.2 0.708 119.6 30.5 -94.3 -23.7 15.7 -0.3 30.6 96 96 A R T <4 S+ 0 0 23 -3,-1.8 -28,-3.5 -4,-0.4 2,-0.5 0.042 91.2 109.7-125.5 27.1 17.4 -2.1 33.4 97 97 A V E < -f 68 0A 8 -4,-0.7 2,-0.4 -30,-0.2 -28,-0.2 -0.889 42.5-173.1-107.0 132.6 18.8 0.6 35.6 98 98 A G E -f 69 0A 0 -30,-3.0 -28,-1.4 -2,-0.5 2,-0.5 -0.986 10.1-160.9-131.0 130.4 17.3 1.3 39.0 99 99 A I E -fg 70 141A 0 41,-1.8 43,-1.2 -2,-0.4 -28,-0.1 -0.926 29.4-116.3-110.0 125.3 18.0 4.2 41.5 100 100 A D E > - 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