==== 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 30-MAR-06 2CJA . COMPND 2 MOLECULE: SERYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR S.BILOKAPIC,T.MAIER,D.AHEL,I.GRUIC-SOVULJ,D.SOLL,I.WEYGAND-D . 966 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 656 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 21.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 62 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 3 1 8 0 0 1 0 2 1 2 1 0 5 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 8 3 6 3 3 3 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 . 4 2 0 0 3 0 1 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 -2 A S 0 0 117 0, 0.0 2,-0.4 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 164.6 62.0 15.0 50.2 2 -1 A H + 0 0 176 97,-0.1 2,-0.1 119,-0.0 119,-0.1 -0.874 360.0 177.2-138.2 101.3 63.2 11.3 50.1 3 1 A X - 0 0 53 117,-0.6 2,-0.5 -2,-0.4 95,-0.0 -0.421 31.3-108.2 -96.5 170.9 66.7 10.5 51.3 4 2 A K - 0 0 145 -2,-0.1 93,-0.1 94,-0.1 116,-0.1 -0.902 37.2-108.6-102.6 130.4 68.5 7.2 51.8 5 3 A L - 0 0 15 -2,-0.5 2,-0.4 93,-0.1 93,-0.2 -0.343 46.5-171.5 -55.9 129.0 69.1 5.9 55.3 6 4 A Q E -A 97 0A 57 91,-2.5 91,-2.9 53,-0.1 2,-0.4 -0.991 21.3-162.3-139.0 132.5 72.9 6.3 56.0 7 5 A F E -AB 96 57A 0 50,-3.0 50,-1.6 -2,-0.4 2,-0.4 -0.913 12.0-176.3-108.9 138.3 75.3 5.2 58.7 8 6 A N E +AB 95 56A 30 87,-2.0 87,-2.8 -2,-0.4 2,-0.4 -0.992 4.0 176.7-138.4 129.4 78.8 6.8 59.0 9 7 A L E -AB 94 55A 2 46,-1.8 46,-1.4 -2,-0.4 2,-0.4 -0.995 15.0-173.2-140.2 133.8 81.5 5.8 61.5 10 8 A K E +AB 93 54A 79 83,-2.9 82,-2.9 -2,-0.4 83,-2.5 -0.990 31.2 134.8-124.6 121.4 85.1 6.9 62.2 11 9 A A E -AB 91 53A 1 42,-1.3 42,-2.7 -2,-0.4 2,-0.3 -0.964 35.6-136.5-156.7 167.0 87.1 4.9 64.8 12 10 A Y E -AB 90 52A 21 78,-1.9 78,-1.8 -2,-0.3 2,-0.5 -0.965 19.2-120.6-133.6 151.1 90.5 3.3 65.5 13 11 A F E AB 89 51A 5 38,-1.1 38,-1.0 -2,-0.3 76,-0.2 -0.794 360.0 360.0 -88.7 128.5 91.8 -0.0 67.0 14 12 A K 0 0 106 74,-2.3 73,-2.0 -2,-0.5 74,-0.8 -0.717 360.0 360.0 -95.3 360.0 94.0 0.6 70.1 15 ! 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 16 21 A K > 0 0 161 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.9 101.4 -2.0 56.1 17 22 A D H > + 0 0 149 2,-0.2 4,-1.2 1,-0.1 5,-0.1 0.873 360.0 48.1 -79.4 -41.9 101.4 -4.1 53.0 18 23 A A H 4 S+ 0 0 55 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.782 113.3 48.3 -70.3 -29.4 99.4 -7.1 54.4 19 24 A I H > S+ 0 0 13 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.700 103.1 64.3 -82.4 -22.2 96.8 -4.7 55.8 20 25 A A H X S+ 0 0 46 -4,-0.6 4,-0.6 1,-0.2 3,-0.4 0.911 105.0 42.0 -67.8 -45.4 96.5 -2.8 52.5 21 26 A A H X S+ 0 0 55 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.645 104.1 71.1 -75.3 -16.5 95.2 -5.8 50.5 22 27 A L H > S+ 0 0 22 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.851 98.7 45.0 -68.3 -38.1 92.9 -6.6 53.4 23 28 A F H X S+ 0 0 14 -4,-0.9 4,-0.9 -3,-0.4 20,-0.3 0.681 107.1 58.3 -83.4 -20.1 90.6 -3.6 52.9 24 29 A E H < S+ 0 0 154 -4,-0.6 4,-0.2 2,-0.2 -1,-0.2 0.828 111.9 42.1 -73.9 -34.3 90.4 -4.1 49.1 25 30 A E H >X>S+ 0 0 116 -4,-1.2 4,-2.5 1,-0.2 3,-1.3 0.847 106.8 62.3 -76.4 -38.3 89.0 -7.6 49.6 26 31 A A H 3<>S+ 0 0 1 -4,-1.5 5,-2.7 1,-0.3 -2,-0.2 0.797 98.6 55.0 -61.6 -34.0 86.7 -6.6 52.5 27 32 A N T 3<5S+ 0 0 53 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.629 120.2 31.2 -74.7 -15.0 84.6 -4.2 50.3 28 33 A S T <45S+ 0 0 76 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.649 134.8 16.2-115.3 -25.8 83.9 -7.0 47.8 29 34 A T T ><5S+ 0 0 74 -4,-2.5 3,-0.6 3,-0.0 4,-0.5 0.790 124.4 34.1-115.9 -58.2 83.8 -10.2 49.8 30 35 A L G > > - 0 0 51 -3,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.060 14.9-114.5 -63.7 155.2 75.3 -1.8 59.4 63 70 A V H 3> S+ 0 0 0 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.782 114.5 55.3 -60.9 -32.5 78.4 0.2 60.2 64 71 A H H 34 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.749 109.8 46.8 -73.6 -25.4 78.5 -1.0 63.9 65 72 A D H <> S+ 0 0 55 -3,-1.0 4,-0.7 1,-0.1 3,-0.3 0.710 104.9 63.3 -82.8 -24.5 78.5 -4.6 62.8 66 73 A A H X S+ 0 0 0 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.789 96.2 56.7 -69.5 -31.9 81.2 -3.8 60.2 67 74 A I H < S+ 0 0 1 -4,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.757 105.6 50.3 -75.2 -25.4 83.8 -2.9 62.8 68 75 A F H > S+ 0 0 46 -4,-0.4 4,-0.7 -3,-0.3 -1,-0.2 0.627 104.5 57.9 -88.1 -16.0 83.6 -6.2 64.6 69 76 A R H X S+ 0 0 54 -4,-0.7 4,-1.5 2,-0.2 3,-0.2 0.849 109.5 44.7 -73.9 -38.8 84.0 -8.1 61.3 70 77 A L H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.665 104.6 63.8 -77.3 -19.8 87.3 -6.3 60.9 71 78 A R H > S+ 0 0 66 -4,-0.5 4,-0.5 2,-0.2 -1,-0.2 0.797 106.2 45.7 -67.7 -31.9 88.1 -7.0 64.5 72 79 A K H X S+ 0 0 171 -4,-0.7 4,-0.7 -3,-0.2 -2,-0.2 0.887 115.3 44.4 -75.5 -44.5 88.0 -10.7 63.5 73 80 A Q H X S+ 0 0 59 -4,-1.5 4,-2.5 1,-0.2 3,-0.5 0.874 111.9 49.7 -72.8 -41.1 90.2 -10.3 60.4 74 81 A L H X S+ 0 0 3 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.707 106.6 57.4 -73.0 -21.1 92.9 -8.0 61.8 75 82 A A H < S+ 0 0 51 -4,-0.5 4,-0.3 -5,-0.2 -1,-0.2 0.724 114.4 38.7 -77.4 -24.3 93.3 -10.4 64.8 76 83 A E H < S+ 0 0 123 -4,-0.7 4,-0.5 -3,-0.5 5,-0.2 0.825 116.1 49.1 -90.7 -40.2 94.1 -13.2 62.4 77 84 A A H < S+ 0 0 32 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.508 129.0 22.2 -81.8 -6.4 96.2 -11.3 59.9 78 85 A L S X S+ 0 0 13 -4,-0.5 4,-1.6 -5,-0.2 6,-1.4 0.443 101.6 88.8-133.2 -11.4 98.4 -9.7 62.5 79 86 A G T 4 S+ 0 0 25 -4,-0.3 4,-0.5 1,-0.2 5,-0.4 0.969 109.0 9.3 -58.2 -69.7 98.1 -12.0 65.5 80 87 A K T 4 S+ 0 0 174 -4,-0.5 -1,-0.2 3,-0.2 -3,-0.1 0.614 128.0 64.6 -85.6 -15.1 100.9 -14.6 65.0 81 88 A K T 4 S+ 0 0 140 -5,-0.2 -2,-0.2 1,-0.1 -3,-0.1 0.952 122.7 6.9 -75.5 -54.0 102.4 -12.6 62.1 82 89 A Y S < S- 0 0 153 -4,-1.6 -3,-0.1 2,-0.1 -1,-0.1 0.198 100.2-110.8-119.0 13.0 103.5 -9.4 63.9 83 90 A K + 0 0 188 -4,-0.5 2,-0.4 1,-0.2 -4,-0.2 0.894 65.2 151.1 57.7 46.9 102.9 -10.3 67.5 84 91 A I - 0 0 92 -6,-1.4 2,-0.4 -5,-0.4 -1,-0.2 -0.919 27.4-174.0-114.2 133.7 100.0 -7.8 67.9 85 92 A G - 0 0 68 -2,-0.4 2,-0.1 0, 0.0 -10,-0.1 -0.941 21.0-137.1-128.9 110.5 97.0 -8.2 70.3 86 93 A I - 0 0 41 -2,-0.4 3,-0.1 1,-0.1 -73,-0.0 -0.395 12.0-166.7 -69.7 135.5 94.2 -5.6 70.1 87 94 A R - 0 0 191 -73,-2.0 2,-0.3 1,-0.3 -1,-0.1 0.865 56.2 -58.7 -87.5 -44.2 92.8 -4.2 73.4 88 95 A G - 0 0 9 -74,-0.8 -74,-2.3 2,-0.0 2,-0.4 -0.977 49.3 -81.7-178.7-171.4 89.6 -2.5 72.1 89 96 A I E -A 13 0A 12 -2,-0.3 41,-0.6 -76,-0.2 2,-0.4 -0.955 26.9-168.4-121.5 136.5 87.9 0.0 69.9 90 97 A E E -A 12 0A 97 -78,-1.8 -78,-1.9 -2,-0.4 2,-0.3 -0.993 18.2-133.5-126.5 135.3 87.4 3.8 70.5 91 98 A V E +A 11 0A 29 -2,-0.4 -80,-0.3 37,-0.2 3,-0.1 -0.656 24.7 174.5 -94.7 137.4 85.1 6.0 68.5 92 99 A E E S+ 0 0 83 -82,-2.9 2,-0.3 1,-0.4 -81,-0.2 0.684 75.3 9.2-103.9 -31.5 85.9 9.4 67.0 93 100 A S E +A 10 0A 42 -83,-2.5 -83,-2.9 2,-0.0 -1,-0.4 -0.983 51.0 175.5-154.0 139.6 82.7 9.9 65.0 94 101 A F E +A 9 0A 3 -2,-0.3 32,-2.0 32,-0.3 2,-0.4 -0.879 15.1 171.5-145.1 111.4 79.3 8.3 64.6 95 102 A I E -AD 8 125A 38 -87,-2.8 -87,-2.0 -2,-0.3 2,-0.4 -0.979 12.2-166.5-126.8 131.3 76.7 10.0 62.3 96 103 A I E -AD 7 124A 1 28,-2.3 28,-1.6 -2,-0.4 2,-0.6 -0.965 5.1-159.7-117.2 132.1 73.3 8.7 61.2 97 104 A K E -AD 6 123A 54 -91,-2.9 -91,-2.5 -2,-0.4 26,-0.2 -0.951 14.1-173.9-111.8 116.7 71.2 10.3 58.4 98 105 A V E - D 0 122A 3 24,-3.0 24,-3.3 -2,-0.6 -94,-0.1 -0.933 23.8-121.0-116.5 128.0 67.5 9.3 58.4 99 106 A P E + D 0 121A 33 0, 0.0 2,-0.3 0, 0.0 22,-0.3 -0.381 37.7 177.1 -63.9 142.4 64.9 10.2 55.8 100 107 A A - 0 0 12 20,-1.4 -97,-0.1 1,-0.1 3,-0.0 -0.987 33.6-141.7-148.6 154.6 61.9 12.3 57.0 101 108 A D S S+ 0 0 75 -2,-0.3 2,-0.2 48,-0.2 -1,-0.1 0.974 81.5 16.1 -77.0 -64.5 58.8 14.0 55.7 102 109 A H S S- 0 0 126 47,-0.2 2,-0.8 1,-0.1 50,-0.1 -0.515 96.2 -76.7-109.8 170.4 58.5 17.2 57.7 103 110 A E - 0 0 153 -2,-0.2 2,-0.3 14,-0.1 19,-0.1 -0.640 59.3-142.2 -66.6 108.7 60.8 19.4 59.9 104 111 A L - 0 0 8 -2,-0.8 3,-0.1 17,-0.1 13,-0.1 -0.585 17.2 -98.6 -87.5 140.5 60.7 17.3 63.0 105 112 A R - 0 0 102 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.048 41.4 -98.2 -53.8 149.4 60.7 18.8 66.6 106 113 A X - 0 0 141 11,-0.0 2,-0.4 9,-0.0 -1,-0.1 -0.557 48.5-176.3 -73.2 131.0 63.9 19.1 68.6 107 114 A L - 0 0 27 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.0 -0.982 28.3-135.2-135.3 140.5 64.2 16.2 71.1 108 115 A K + 0 0 157 -2,-0.4 654,-0.1 6,-0.0 653,-0.1 -0.875 36.0 168.4 -93.5 119.7 66.7 15.3 73.9 109 116 A V > - 0 0 7 -2,-0.6 3,-1.6 3,-0.3 653,-0.1 -0.991 39.2 -98.2-134.0 137.5 67.5 11.6 73.6 110 117 A P T 3 S+ 0 0 23 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.199 106.3 15.8 -56.5 147.4 70.2 9.6 75.4 111 118 A Y T 3 S+ 0 0 87 1,-0.2 16,-1.9 16,-0.1 2,-0.7 0.449 97.2 116.9 64.5 3.1 73.5 8.9 73.5 112 119 A I E < -E 126 0A 24 -3,-1.6 -3,-0.3 14,-0.2 14,-0.3 -0.909 40.6-178.4 -99.7 113.0 72.5 11.7 71.0 113 120 A K E S+ 0 0 136 12,-1.5 2,-0.3 -2,-0.7 -1,-0.2 0.940 70.0 1.4 -72.5 -51.3 75.0 14.5 71.1 114 121 A S E -E 125 0A 35 11,-0.9 11,-1.4 2,-0.0 2,-0.4 -0.989 59.5-164.3-141.9 150.0 73.3 16.7 68.6 115 122 A X E +E 124 0A 11 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 18.8 159.7-135.0 135.9 70.2 16.6 66.4 116 123 A E E -E 123 0A 58 7,-2.1 7,-2.3 -2,-0.4 2,-0.4 -0.994 38.3-109.1-156.2 150.8 69.3 18.8 63.4 117 124 A N E +E 122 0A 69 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.685 38.1 177.8 -81.8 129.3 67.1 19.0 60.3 118 125 A I - 0 0 35 3,-2.2 -21,-0.0 -2,-0.4 -1,-0.0 -0.548 43.7 -84.0-117.6-171.6 68.8 18.5 56.9 119 126 A E S S+ 0 0 168 -2,-0.2 -116,-0.0 1,-0.2 -2,-0.0 0.947 122.9 30.0 -63.0 -56.7 67.6 18.4 53.3 120 127 A G S S- 0 0 7 -118,-0.1 -20,-1.4 -116,-0.1 -117,-0.6 0.839 131.9 -63.9 -74.7 -36.3 66.6 14.8 52.9 121 128 A G E S-D 99 0A 6 -22,-0.3 -3,-2.2 -119,-0.1 2,-0.4 -0.451 86.3 -15.0-171.1-111.7 65.6 14.3 56.6 122 129 A I E -DE 98 117A 1 -24,-3.3 -24,-3.0 -5,-0.2 2,-0.4 -0.983 41.8-160.7-129.1 132.3 67.4 14.3 59.9 123 130 A Q E +DE 97 116A 40 -7,-2.3 -7,-2.1 -2,-0.4 2,-0.3 -0.896 17.0 177.2-107.7 141.6 71.1 14.2 60.7 124 131 A L E -DE 96 115A 1 -28,-1.6 -28,-2.3 -2,-0.4 2,-0.3 -0.964 19.5-148.1-152.8 128.0 72.3 13.2 64.2 125 132 A E E -DE 95 114A 53 -11,-1.4 -12,-1.5 -2,-0.3 -11,-0.9 -0.664 20.6-146.6 -92.6 150.4 75.6 12.6 66.0 126 133 A L E - 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