==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 26-NOV-02 1N9W . COMPND 2 MOLECULE: ASPARTYL-TRNA SYNTHETASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR C.CHARRON,H.ROY,M.BLAISE,R.GIEGE,D.KERN . 715 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 22.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 48 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 4 0 2 0 1 2 4 1 0 0 2 0 0 0 0 0 0 0 2 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 0 0 4 3 8 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 0 180 0, 0.0 16,-1.3 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 161.7 13.9 12.1 40.0 2 2 A R B -a 17 0A 50 14,-0.2 2,-0.4 16,-0.0 16,-0.2 -0.309 360.0-174.1 -63.3 136.9 17.2 10.8 41.3 3 3 A V - 0 0 15 14,-2.7 16,-0.2 -2,-0.0 2,-0.1 -0.997 19.3-130.5-135.9 126.6 18.1 7.3 40.4 4 4 A L >> - 0 0 15 -2,-0.4 3,-2.2 14,-0.1 4,-0.5 -0.452 25.6-113.4 -75.9 149.7 21.2 5.4 41.8 5 5 A V G >4 S+ 0 0 21 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.867 116.6 58.8 -47.1 -46.5 23.5 3.5 39.4 6 6 A R G 34 S+ 0 0 81 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.701 108.0 47.9 -60.3 -20.5 22.5 0.2 40.9 7 7 A D G X4 S+ 0 0 72 -3,-2.2 3,-1.7 1,-0.1 -1,-0.3 0.464 81.9 94.0-101.1 -2.0 18.9 0.9 39.9 8 8 A L G X< S+ 0 0 0 -3,-1.6 3,-2.9 -4,-0.5 4,-0.3 0.837 71.2 71.9 -58.8 -34.3 19.5 2.1 36.3 9 9 A K G 3 S+ 0 0 172 -4,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.736 98.0 51.5 -54.4 -21.7 18.8 -1.4 35.0 10 10 A A G < S+ 0 0 70 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.189 106.9 53.4-101.6 16.6 15.2 -0.8 35.8 11 11 A H X + 0 0 53 -3,-2.9 3,-2.3 3,-0.1 54,-0.4 0.194 68.3 150.2-133.5 14.4 15.0 2.6 34.0 12 12 A V T 3 S+ 0 0 57 -3,-0.4 54,-0.2 -4,-0.3 3,-0.1 -0.239 74.8 18.9 -52.8 131.8 16.3 1.6 30.5 13 13 A G T 3 S+ 0 0 55 52,-2.7 -1,-0.3 1,-0.3 2,-0.3 0.535 108.6 106.9 83.3 5.6 14.7 3.9 27.9 14 14 A Q S < S- 0 0 101 -3,-2.3 51,-2.5 51,-0.2 2,-0.5 -0.766 74.0-111.3-116.5 163.8 13.8 6.5 30.5 15 15 A E E + B 0 64A 93 -2,-0.3 2,-0.2 49,-0.2 49,-0.2 -0.807 46.2 169.3 -91.8 125.6 15.0 9.9 31.5 16 16 A V E - B 0 63A 4 47,-2.9 47,-2.0 -2,-0.5 2,-0.4 -0.782 30.9-126.4-131.2 175.7 16.7 9.9 34.9 17 17 A E E -aB 2 62A 44 -16,-1.3 -14,-2.7 -2,-0.2 2,-0.3 -0.994 22.1-164.7-128.6 128.0 18.8 12.1 37.2 18 18 A L E - B 0 61A 0 43,-3.1 43,-2.2 -2,-0.4 2,-0.4 -0.794 5.3-167.7-110.9 153.9 22.2 11.0 38.6 19 19 A L E + B 0 60A 22 -2,-0.3 2,-0.3 -16,-0.2 41,-0.2 -0.993 39.6 88.0-138.9 131.9 24.2 12.5 41.5 20 20 A G E - B 0 59A 0 39,-1.9 39,-2.8 -2,-0.4 2,-0.3 -0.971 66.7 -57.5 172.3-157.3 27.8 11.5 42.2 21 21 A F E -CB 37 58A 4 16,-2.8 16,-2.8 -2,-0.3 2,-1.3 -0.816 45.0-104.1-118.6 158.7 31.4 12.3 41.4 22 22 A L E +C 36 0A 0 35,-2.1 34,-3.1 -2,-0.3 35,-0.3 -0.669 39.6 174.3 -81.8 95.7 33.5 12.3 38.2 23 23 A H E - 0 0 79 12,-2.1 2,-0.3 -2,-1.3 -1,-0.2 0.908 68.0 -8.6 -67.6 -45.2 35.4 9.0 38.5 24 24 A W E -C 35 0A 106 11,-1.1 11,-2.2 -3,-0.2 2,-0.3 -0.986 67.2-175.6-153.7 150.7 37.0 9.3 35.1 25 25 A R E -C 34 0A 79 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.958 9.4-176.8-147.7 165.6 36.7 11.5 32.0 26 26 A R E -C 33 0A 130 7,-1.2 7,-1.9 -2,-0.3 2,-0.4 -0.754 18.8-141.9-168.5 115.8 37.9 11.9 28.4 27 27 A D E -C 32 0A 83 5,-0.2 5,-0.2 -2,-0.2 3,-0.1 -0.657 15.5-179.5 -83.2 132.4 37.1 14.7 25.9 28 28 A L - 0 0 74 3,-2.3 2,-0.7 -2,-0.4 3,-0.2 -0.064 57.2 -85.0-121.6 34.0 36.8 13.5 22.3 29 29 A G S S+ 0 0 60 1,-0.2 -1,-0.1 19,-0.0 20,-0.1 -0.878 109.7 1.1 106.9-108.7 36.1 16.8 20.5 30 30 A R S S+ 0 0 217 -2,-0.7 19,-2.7 18,-0.1 2,-0.3 0.581 134.6 50.4 -93.0 -10.4 32.4 17.7 20.6 31 31 A I E - D 0 48A 77 17,-0.3 -3,-2.3 -3,-0.2 2,-0.4 -0.938 67.2-170.9-125.0 148.1 31.5 14.6 22.6 32 32 A Q E -CD 27 47A 1 15,-1.7 15,-2.5 -2,-0.3 2,-0.4 -1.000 16.5-135.4-142.6 142.8 33.1 13.3 25.8 33 33 A F E -CD 26 46A 55 -7,-1.9 -7,-1.2 -2,-0.4 2,-0.3 -0.816 24.9-174.4 -99.2 134.8 32.7 10.1 27.8 34 34 A L E -CD 25 45A 2 11,-3.4 11,-2.7 -2,-0.4 2,-0.5 -0.830 21.7-145.0-124.4 161.7 32.4 10.3 31.6 35 35 A L E -CD 24 44A 32 -11,-2.2 -12,-2.1 -2,-0.3 -11,-1.1 -0.989 20.3-162.8-126.3 115.3 32.3 7.8 34.5 36 36 A L E -CD 22 43A 1 7,-2.9 7,-2.4 -2,-0.5 2,-0.5 -0.902 1.9-161.8-105.3 130.5 30.0 8.9 37.3 37 37 A R E +CD 21 42A 3 -16,-2.8 -16,-2.8 -2,-0.5 5,-0.2 -0.941 14.5 167.7-114.5 124.4 30.4 7.3 40.7 38 38 A D E > - D 0 41A 0 3,-2.7 3,-1.5 -2,-0.5 -18,-0.1 -0.655 57.8 -79.9-119.9-178.3 27.7 7.4 43.3 39 39 A R T 3 S+ 0 0 32 1,-0.3 3,-0.1 -2,-0.2 -19,-0.1 0.583 129.8 46.0 -60.5 -9.2 27.3 5.4 46.6 40 40 A S T 3 S- 0 0 17 1,-0.3 2,-0.3 156,-0.0 -1,-0.3 0.466 120.9 -66.3-112.4 -6.9 25.9 2.5 44.6 41 41 A G E < -D 38 0A 6 -3,-1.5 -3,-2.7 -36,-0.1 2,-0.4 -0.964 52.5 -64.3 153.5-170.1 28.3 2.2 41.7 42 42 A V E -D 37 0A 25 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.950 36.9-177.7-122.4 138.6 29.8 3.6 38.5 43 43 A V E -D 36 0A 1 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.2 -0.998 27.9-116.0-138.7 141.5 28.1 4.4 35.2 44 44 A Q E -De 35 76A 30 31,-0.5 33,-2.2 28,-0.4 2,-0.4 -0.509 30.2-165.9 -73.9 139.2 29.3 5.7 31.8 45 45 A V E -De 34 77A 0 -11,-2.7 -11,-3.4 31,-0.2 2,-0.5 -0.995 8.4-152.9-130.9 133.0 27.9 9.0 30.7 46 46 A V E +De 33 78A 26 31,-2.3 33,-2.1 -2,-0.4 2,-0.2 -0.918 22.0 173.5-107.9 127.4 28.0 10.5 27.2 47 47 A T E -D 32 0A 8 -15,-2.5 -15,-1.7 -2,-0.5 2,-0.4 -0.760 19.3-143.1-126.2 173.6 27.9 14.3 26.9 48 48 A G E S+D 31 0A 54 -2,-0.2 -17,-0.3 -17,-0.2 3,-0.1 -0.999 75.6 0.1-142.6 137.7 28.2 16.9 24.2 49 49 A G S S+ 0 0 60 -19,-2.7 2,-0.5 -2,-0.4 -18,-0.1 0.771 89.3 143.7 58.7 29.1 29.8 20.4 24.2 50 50 A L - 0 0 16 -20,-0.2 2,-1.1 3,-0.0 -1,-0.2 -0.876 52.1-137.3-106.5 129.4 30.8 20.1 27.8 51 51 A K - 0 0 155 -2,-0.5 -3,-0.0 -3,-0.1 -19,-0.0 -0.726 34.8-128.4 -82.0 102.0 34.0 21.5 29.3 52 52 A L - 0 0 34 -2,-1.1 -25,-0.1 1,-0.1 2,-0.1 -0.265 18.0-140.2 -57.3 127.2 35.0 18.6 31.5 53 53 A P - 0 0 18 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.306 37.9 -76.8 -79.7 170.6 35.8 19.5 35.2 54 54 A L > - 0 0 66 34,-0.5 3,-0.9 1,-0.1 34,-0.4 -0.273 63.0 -84.1 -66.3 156.5 38.7 17.9 37.0 55 55 A P T 3 S+ 0 0 32 0, 0.0 -32,-0.2 0, 0.0 -1,-0.1 -0.182 113.9 37.8 -57.5 154.6 38.2 14.4 38.3 56 56 A E T 3 S+ 0 0 17 -34,-3.1 2,-0.2 1,-0.3 -33,-0.1 0.566 82.4 144.7 78.6 9.8 36.4 14.0 41.7 57 57 A S < - 0 0 0 -3,-0.9 -35,-2.1 -35,-0.3 2,-0.5 -0.507 54.4-116.2 -77.8 148.7 34.1 16.8 40.9 58 58 A A E -BF 21 86A 0 28,-2.1 28,-1.6 -37,-0.2 27,-1.3 -0.780 42.5-178.0 -88.8 125.7 30.5 16.5 42.2 59 59 A L E -BF 20 84A 1 -39,-2.8 -39,-1.9 -2,-0.5 2,-0.5 -0.864 29.1-150.9-127.4 160.7 28.0 16.4 39.3 60 60 A R E -BF 19 83A 42 23,-2.0 23,-2.6 -2,-0.3 2,-0.4 -0.998 24.1-168.1-126.8 119.0 24.3 16.2 38.6 61 61 A V E -BF 18 82A 0 -43,-2.2 -43,-3.1 -2,-0.5 2,-0.4 -0.920 10.6-171.8-116.3 139.9 23.4 14.5 35.4 62 62 A R E +BF 17 81A 100 19,-2.5 18,-2.9 -2,-0.4 19,-2.1 -0.991 35.4 102.6-129.4 121.9 20.1 14.3 33.6 63 63 A G E -BF 16 79A 0 -47,-2.0 -47,-2.9 -2,-0.4 2,-0.4 -0.976 63.5 -57.4-173.8-172.1 19.6 12.1 30.6 64 64 A L E -BF 15 78A 45 14,-2.4 14,-3.2 -2,-0.3 2,-0.5 -0.743 39.7-132.4 -94.0 133.3 18.4 8.9 28.8 65 65 A V E - F 0 77A 1 -51,-2.5 -52,-2.7 -54,-0.4 2,-0.4 -0.750 33.2-179.1 -83.0 122.7 19.4 5.5 30.0 66 66 A V E - F 0 76A 42 10,-3.2 10,-2.9 -2,-0.5 2,-0.4 -0.972 29.7-113.5-128.0 141.9 20.5 3.4 27.0 67 67 A E E + F 0 75A 149 -2,-0.4 2,-0.4 8,-0.2 8,-0.3 -0.567 36.5 171.2 -75.6 127.6 21.7 -0.2 26.7 68 68 A N > - 0 0 35 6,-2.0 3,-2.6 -2,-0.4 6,-0.3 -0.857 22.3-162.9-141.4 100.9 25.3 -0.5 25.7 69 69 A A T 3 S+ 0 0 97 -2,-0.4 4,-0.1 1,-0.3 6,-0.1 0.660 93.1 57.5 -56.6 -17.3 26.8 -4.0 25.9 70 70 A K T 3 S+ 0 0 186 4,-0.1 -1,-0.3 2,-0.1 5,-0.1 0.368 94.3 83.8 -96.9 5.0 30.3 -2.3 25.7 71 71 A A S X S- 0 0 7 -3,-2.6 3,-3.0 1,-0.1 2,-0.2 -0.798 94.7 -88.0-110.5 151.7 29.7 -0.2 28.8 72 72 A P T 3 S+ 0 0 71 0, 0.0 3,-0.4 0, 0.0 -28,-0.4 -0.353 119.0 15.0 -55.9 116.9 30.1 -1.1 32.5 73 73 A G T 3 S- 0 0 80 -2,-0.2 3,-0.1 1,-0.2 -4,-0.1 0.287 120.2 -89.8 99.5 -10.4 26.8 -2.5 33.7 74 74 A G S < S+ 0 0 32 -3,-3.0 -6,-2.0 -6,-0.3 2,-0.3 0.482 104.8 71.8 84.0 2.2 25.6 -3.0 30.1 75 75 A L E - F 0 67A 16 -3,-0.4 -31,-0.5 -8,-0.3 2,-0.3 -0.908 56.4-163.5-143.8 169.5 24.1 0.4 30.0 76 76 A E E -eF 44 66A 14 -10,-2.9 -10,-3.2 -2,-0.3 2,-0.6 -0.946 22.1-118.6-148.3 167.8 24.9 4.2 29.8 77 77 A V E -eF 45 65A 0 -33,-2.2 -31,-2.3 -2,-0.3 2,-1.0 -0.953 14.6-154.6-117.6 117.4 23.4 7.5 30.3 78 78 A Q E -eF 46 64A 82 -14,-3.2 -14,-2.4 -2,-0.6 2,-0.3 -0.810 27.4-140.7 -90.7 105.3 23.2 9.9 27.4 79 79 A A E + F 0 63A 21 -33,-2.1 -16,-0.3 -2,-1.0 -31,-0.2 -0.486 31.1 179.6 -75.1 130.5 23.1 13.2 29.1 80 80 A K E S+ 0 0 123 -18,-2.9 2,-0.3 1,-0.3 -17,-0.2 0.668 81.6 20.5 -94.7 -23.6 20.9 16.1 28.0 81 81 A E E - 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0 0 20 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.563 41.7-119.2 -88.9 151.0 13.3 13.1 84.4 713 405 B P S S- 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.959 86.2 -10.2 -47.2 -70.8 15.0 15.4 87.0 714 406 B N S > S- 0 0 68 -3,-0.0 3,-1.5 -7,-0.0 4,-0.1 -0.804 73.9 -97.2-130.5 172.6 18.3 15.8 85.4 715 407 B V G > S+ 0 0 59 1,-0.3 3,-2.0 -2,-0.3 4,-0.1 0.719 110.1 74.6 -62.6 -24.8 20.4 14.3 82.5 716 408 B R G > S+ 0 0 147 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.718 83.7 69.9 -63.2 -19.8 22.3 11.9 84.7 717 409 B Y G < S+ 0 0 118 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.514 97.7 49.8 -74.8 -6.7 19.1 9.8 84.9 718 410 B A G < S+ 0 0 0 -3,-2.0 2,-0.4 -4,-0.1 -1,-0.2 0.235 98.5 82.5-113.4 9.0 19.6 8.8 81.3 719 411 B R < - 0 0 18 -3,-1.2 -246,-0.1 1,-0.1 -586,-0.1 -0.941 69.8-145.9-117.2 134.9 23.2 7.8 81.7 720 412 B A S S+ 0 0 5 -588,-0.5 -1,-0.1 -2,-0.4 -587,-0.1 0.966 94.6 10.7 -63.9 -54.7 24.2 4.4 83.1 721 413 B F 0 0 20 -589,-0.3 -1,-0.3 -260,-0.0 -5,-0.0 -0.697 360.0 360.0-129.9 81.6 27.3 5.6 84.9 722 414 B P 0 0 64 0, 0.0 -6,-0.0 0, 0.0 -5,-0.0 -0.022 360.0 360.0 -58.7 360.0 27.5 9.4 85.1