==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/LIGASE INHIBITOR 18-APR-13 4K88 . COMPND 2 MOLECULE: PROLINE--TRNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.Y.HWANG,J.H.SON,E.H.LEE . 490 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23050.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 18.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 30 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 1 2 1 0 0 1 2 3 0 0 0 0 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 2 3 3 3 3 1 0 1 0 1 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 1 1 1 0 0 0 1 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 16 A L 0 0 57 0, 0.0 11,-0.1 0, 0.0 276,-0.0 0.000 360.0 360.0 360.0 110.2 -37.9 -10.8 13.5 2 17 A E + 0 0 169 10,-0.0 10,-0.1 2,-0.0 273,-0.0 0.932 360.0 63.7 -81.5 -50.4 -35.1 -10.9 16.0 3 18 A A S S- 0 0 16 8,-0.1 2,-0.4 9,-0.1 3,-0.1 -0.158 76.0-135.7 -71.1 170.6 -34.0 -7.3 16.0 4 19 A K >> - 0 0 69 1,-0.1 4,-1.4 4,-0.0 3,-0.5 -0.984 11.5-130.3-136.1 142.3 -36.2 -4.4 17.1 5 20 A K T 34 S+ 0 0 33 -2,-0.4 4,-0.3 1,-0.3 -1,-0.1 0.939 109.2 46.6 -56.5 -54.1 -36.8 -1.0 15.5 6 21 A E T 34 S+ 0 0 127 2,-0.1 -1,-0.3 1,-0.1 3,-0.2 0.771 123.0 36.1 -57.6 -27.5 -36.3 1.0 18.7 7 22 A E T <4 S+ 0 0 146 -3,-0.5 2,-0.6 1,-0.2 -2,-0.2 0.947 130.3 8.7-100.8 -71.7 -33.1 -1.0 19.5 8 23 A N >X + 0 0 72 -4,-1.4 4,-2.9 1,-0.2 3,-0.9 -0.704 65.4 168.9-113.6 82.6 -30.9 -2.0 16.5 9 24 A L H 3> S+ 0 0 27 -2,-0.6 4,-2.6 -4,-0.3 5,-0.3 0.898 74.7 59.8 -56.2 -46.7 -32.5 -0.1 13.6 10 25 A A H 3> S+ 0 0 61 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.800 114.3 37.7 -54.6 -32.0 -29.6 -0.9 11.3 11 26 A D H <> S+ 0 0 75 -3,-0.9 4,-1.9 -7,-0.2 5,-0.2 0.904 110.8 58.2 -84.9 -47.9 -30.3 -4.6 11.8 12 27 A W H X S+ 0 0 0 -4,-2.9 4,-3.0 -8,-0.3 3,-0.3 0.897 107.9 48.1 -43.5 -52.7 -34.1 -4.3 11.9 13 28 A Y H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.940 111.2 49.2 -57.8 -51.1 -34.2 -2.8 8.5 14 29 A S H < S+ 0 0 28 -4,-0.9 4,-0.4 -5,-0.3 -1,-0.2 0.725 115.4 45.2 -65.3 -23.3 -31.9 -5.4 7.0 15 30 A Q H X S+ 0 0 34 -4,-1.9 4,-2.8 -3,-0.3 3,-0.3 0.872 111.6 51.0 -84.1 -42.5 -34.0 -8.2 8.5 16 31 A V H X S+ 0 0 4 -4,-3.0 4,-0.9 -5,-0.2 262,-0.3 0.926 110.6 48.2 -59.4 -46.5 -37.3 -6.7 7.5 17 32 A I H <>S+ 0 0 0 -4,-2.5 6,-2.1 -5,-0.2 5,-1.7 0.707 117.9 40.7 -73.3 -20.3 -36.3 -6.2 3.8 18 33 A T H >45S+ 0 0 47 -4,-0.4 3,-1.8 -3,-0.3 -2,-0.2 0.870 114.9 48.5 -88.5 -45.1 -34.9 -9.7 3.5 19 34 A K H 3<5S+ 0 0 90 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.527 107.6 56.7 -78.2 -5.3 -37.5 -11.7 5.4 20 35 A S T 3<5S- 0 0 0 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 0.271 114.7-119.3-101.3 8.7 -40.3 -9.9 3.5 21 36 A E T < 5S+ 0 0 67 -3,-1.8 16,-0.8 2,-0.1 17,-0.3 0.871 81.4 118.2 58.3 42.6 -38.7 -11.2 0.3 22 37 A M < + 0 0 0 -5,-1.7 13,-2.1 1,-0.2 2,-0.3 0.759 69.2 29.8-102.1 -40.8 -38.1 -7.7 -1.0 23 38 A I E -A 34 0A 1 -6,-2.1 2,-0.3 11,-0.2 -1,-0.2 -0.900 54.8-171.8-129.7 148.4 -34.3 -7.5 -1.3 24 39 A E E -A 33 0A 95 9,-0.8 9,-2.4 -2,-0.3 -6,-0.0 -0.939 28.1-121.8-144.4 123.8 -31.5 -10.0 -2.0 25 40 A Y E -A 32 0A 107 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.203 26.1-143.2 -65.3 153.0 -27.8 -9.2 -1.6 26 41 A H - 0 0 89 5,-1.1 5,-0.2 2,-0.3 -1,-0.1 -0.747 28.8-101.8-118.1 162.4 -25.5 -9.5 -4.6 27 42 A D S S+ 0 0 141 -2,-0.3 2,-0.4 1,-0.1 5,-0.1 0.321 111.8 62.4 -69.7 12.6 -21.9 -10.7 -5.0 28 43 A I S > S- 0 0 75 3,-0.2 3,-1.5 0, 0.0 -2,-0.3 -0.960 91.2-126.4-134.2 119.3 -21.0 -7.0 -5.4 29 44 A S T 3 S+ 0 0 71 -2,-0.4 3,-0.1 1,-0.2 -2,-0.1 -0.275 94.4 37.3 -66.7 151.5 -21.7 -4.8 -2.4 30 45 A G T 3 S+ 0 0 0 1,-0.3 120,-2.5 -4,-0.1 121,-0.7 0.163 101.6 95.6 91.8 -16.8 -23.8 -1.7 -3.0 31 46 A C < + 0 0 21 -3,-1.5 -5,-1.1 118,-0.2 2,-0.3 -0.883 53.3 180.0-111.9 139.5 -25.8 -3.7 -5.5 32 47 A Y E -A 25 0A 36 -2,-0.4 2,-0.6 119,-0.3 -7,-0.2 -0.928 27.8-115.4-138.9 158.3 -29.1 -5.4 -4.6 33 48 A I E -A 24 0A 77 -9,-2.4 2,-1.2 -2,-0.3 -9,-0.8 -0.849 19.2-144.3-100.3 120.2 -31.8 -7.5 -6.1 34 49 A L E -A 23 0A 51 -2,-0.6 -11,-0.2 -11,-0.2 -12,-0.1 -0.714 22.3-161.6 -80.5 98.8 -35.3 -6.1 -6.4 35 50 A R >> - 0 0 88 -13,-2.1 4,-2.4 -2,-1.2 3,-1.2 -0.352 34.9 -95.4 -73.4 162.6 -37.5 -9.1 -5.8 36 51 A P H 3> S+ 0 0 99 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.788 119.4 64.2 -51.1 -38.0 -41.1 -8.9 -6.8 37 52 A W H 34 S+ 0 0 13 -16,-0.8 249,-0.3 1,-0.2 4,-0.2 0.854 115.1 32.6 -61.7 -33.1 -42.5 -7.8 -3.5 38 53 A A H X> S+ 0 0 0 -3,-1.2 3,-1.7 -17,-0.3 4,-1.7 0.899 114.4 57.1 -85.0 -46.5 -40.5 -4.6 -3.7 39 54 A Y H 3X S+ 0 0 83 -4,-2.4 4,-3.0 1,-0.3 5,-0.2 0.825 100.0 60.3 -56.7 -32.8 -40.7 -4.1 -7.5 40 55 A A H 3X S+ 0 0 22 -4,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.757 104.2 50.8 -68.1 -23.7 -44.5 -4.1 -7.4 41 56 A I H <> S+ 0 0 0 -3,-1.7 4,-2.0 -4,-0.2 -1,-0.2 0.876 111.5 46.5 -76.9 -40.6 -44.3 -1.1 -5.1 42 57 A W H X S+ 0 0 3 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.901 112.9 50.3 -63.5 -40.0 -42.0 0.6 -7.6 43 58 A E H X S+ 0 0 92 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.781 107.8 53.9 -70.4 -27.2 -44.3 -0.4 -10.4 44 59 A A H X S+ 0 0 24 -4,-0.9 4,-1.5 2,-0.2 -1,-0.2 0.895 111.0 44.8 -72.0 -42.2 -47.2 1.0 -8.4 45 60 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.940 112.0 53.9 -62.2 -48.4 -45.4 4.3 -8.0 46 61 A K H X S+ 0 0 44 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.845 106.2 52.2 -54.5 -39.5 -44.5 4.2 -11.7 47 62 A D H X S+ 0 0 114 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.870 113.1 43.5 -67.6 -40.2 -48.1 3.7 -12.7 48 63 A F H X S+ 0 0 32 -4,-1.5 4,-1.1 -3,-0.3 -2,-0.2 0.963 117.8 42.6 -68.6 -55.8 -49.4 6.7 -10.8 49 64 A F H >X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-1.7 0.952 111.4 53.7 -58.8 -55.0 -46.7 9.1 -11.8 50 65 A D H 3X S+ 0 0 35 -4,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.829 107.7 53.6 -46.8 -39.5 -46.5 8.1 -15.4 51 66 A A H 3X S+ 0 0 51 -4,-1.1 4,-0.7 -5,-0.2 -1,-0.3 0.775 112.0 44.3 -69.6 -28.1 -50.3 8.7 -15.6 52 67 A E H S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.2 0.840 107.7 56.7 -68.6 -28.9 -47.0 13.6 -16.1 54 69 A K H ><5S+ 0 0 99 -4,-1.3 3,-1.3 -5,-0.3 -1,-0.2 0.852 101.1 55.5 -71.7 -31.4 -48.7 12.5 -19.3 55 70 A K H 3<5S+ 0 0 154 -4,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.791 105.1 55.9 -63.3 -27.2 -51.7 14.6 -18.4 56 71 A L T 3<5S- 0 0 45 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.464 127.4-102.2 -84.4 -3.0 -49.1 17.4 -18.2 57 72 A G T < 5S+ 0 0 42 -3,-1.3 71,-0.3 1,-0.3 2,-0.2 0.584 73.9 142.2 94.4 11.0 -48.0 16.7 -21.8 58 73 A V < - 0 0 3 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.596 34.3-155.7 -84.1 146.1 -44.8 14.8 -21.0 59 74 A E E -b 129 0B 141 69,-1.3 71,-1.9 -2,-0.2 2,-0.1 -0.952 14.3-122.6-123.0 143.1 -43.8 11.9 -23.2 60 75 A N E +b 130 0B 52 -2,-0.4 2,-0.3 69,-0.2 71,-0.2 -0.473 37.6 156.3 -83.1 157.6 -41.5 9.0 -22.2 61 76 A C - 0 0 44 69,-1.8 71,-0.4 -2,-0.1 2,-0.3 -0.903 34.5-118.0-159.0-178.2 -38.4 8.0 -24.0 62 77 A Y - 0 0 141 -2,-0.3 69,-0.1 69,-0.1 71,-0.0 -0.862 20.6-174.6-143.6 112.1 -35.0 6.2 -23.6 63 78 A F - 0 0 21 -2,-0.3 48,-0.1 1,-0.1 -2,-0.0 -0.627 39.5 -91.9 -92.9 158.4 -31.6 7.8 -24.0 64 79 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 46,-0.1 -0.178 20.3-138.6 -65.8 163.9 -28.4 5.7 -23.8 65 80 A M S S+ 0 0 42 39,-0.0 39,-1.7 38,-0.0 2,-0.7 0.653 78.9 91.9 -95.0 -20.5 -26.6 5.1 -20.6 66 81 A F E -J 103 0C 103 37,-0.2 2,-0.5 38,-0.1 37,-0.2 -0.665 54.2-175.1 -82.4 115.1 -23.1 5.6 -22.1 67 82 A V E -J 102 0C 3 35,-1.6 35,-2.2 -2,-0.7 4,-0.1 -0.952 24.2-127.7-111.0 119.7 -21.9 9.2 -21.9 68 83 A S E >> -J 101 0C 64 -2,-0.5 3,-1.3 33,-0.2 4,-1.1 -0.204 16.0-116.2 -71.2 158.6 -18.6 9.7 -23.7 69 84 A Q H 3>>S+ 0 0 53 31,-0.8 4,-1.4 1,-0.3 2,-0.6 0.922 113.6 60.9 -61.6 -45.1 -15.6 11.4 -22.1 70 85 A S H 345S+ 0 0 61 3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.100 104.3 56.3 -69.0 25.5 -15.6 14.3 -24.4 71 86 A A H <>5S+ 0 0 19 -3,-1.3 4,-1.4 -2,-0.6 -2,-0.2 0.664 111.0 31.1-119.7 -59.4 -19.1 15.1 -23.1 72 87 A L H ><5S+ 0 0 17 -4,-1.1 3,-0.7 2,-0.2 5,-0.5 0.990 133.1 37.6 -57.7 -60.0 -19.0 15.5 -19.3 73 88 A E T 3<5S+ 0 0 107 -4,-1.4 -3,-0.2 1,-0.2 -1,-0.2 0.828 107.9 64.8 -63.1 -35.3 -15.5 16.8 -19.6 74 89 A K T 34 - 0 0 40 -2,-0.0 3,-1.1 0, 0.0 -1,-0.1 -0.706 42.1-141.6 59.7 49.7 -20.1 20.5 -10.4 80 95 A A G > S+ 0 0 55 -2,-0.3 3,-0.6 1,-0.3 -2,-0.1 0.247 78.0 98.7 -83.7 12.9 -17.2 18.1 -10.5 81 96 A D G 3 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.853 86.3 49.5 -61.5 -35.2 -17.2 17.1 -6.9 82 97 A F G X S+ 0 0 112 -3,-1.1 3,-2.4 1,-0.2 -1,-0.2 0.595 80.9 101.1 -84.6 -11.2 -19.1 14.0 -7.9 83 98 A A G X S+ 0 0 46 -3,-0.6 3,-1.0 1,-0.3 -1,-0.2 0.698 73.1 60.7 -48.2 -29.0 -16.6 13.1 -10.7 84 99 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.313 97.0 63.0 -85.9 15.8 -14.8 10.4 -8.6 85 100 A E G < S+ 0 0 62 -3,-2.4 53,-1.6 2,-0.1 2,-0.5 0.294 78.1 104.1-113.7 4.5 -18.0 8.4 -8.3 86 101 A V < - 0 0 26 -3,-1.0 51,-0.1 -4,-0.2 2,-0.1 -0.772 63.9-139.2 -92.1 128.2 -18.4 7.7 -12.0 87 102 A A - 0 0 29 -2,-0.5 16,-1.1 49,-0.3 2,-0.4 -0.377 19.3-146.5 -76.3 162.2 -17.6 4.2 -13.2 88 103 A W E -K 102 0C 84 14,-0.2 2,-0.4 -2,-0.1 14,-0.2 -0.990 11.0-141.7-138.1 142.0 -15.8 3.8 -16.5 89 104 A V E +K 101 0C 44 12,-3.6 12,-1.6 -2,-0.4 3,-0.1 -0.861 30.9 156.4 -99.1 135.2 -15.8 1.3 -19.4 90 105 A T E + 0 0 64 -2,-0.4 7,-1.3 1,-0.3 2,-0.4 0.600 52.2 42.0-133.2 -24.0 -12.3 0.7 -20.8 91 106 A R E -K 96 0C 148 5,-0.2 2,-1.0 7,-0.0 -1,-0.3 -0.993 52.8-149.0-141.2 137.1 -12.1 -2.7 -22.6 92 107 A S E > S-K 95 0C 78 3,-2.3 3,-0.6 -2,-0.4 2,-0.4 -0.757 87.8 -43.8 -99.2 88.1 -14.3 -4.7 -25.0 93 108 A G T 3 S- 0 0 56 -2,-1.0 0, 0.0 1,-0.2 0, 0.0 -0.777 121.3 -33.9 77.0-135.9 -13.2 -8.2 -23.9 94 109 A K T 3 S+ 0 0 189 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.0 0.867 115.8 102.5 -84.0 -36.6 -9.5 -7.8 -23.6 95 110 A T E < S- K 0 92C 93 -3,-0.6 -3,-2.3 -4,-0.1 -5,-0.0 -0.229 75.0-126.3 -51.3 121.7 -9.1 -5.4 -26.5 96 111 A E E - 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