==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUL-12 4G1J . COMPND 2 MOLECULE: SORTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR R.COZZI,D.M.PRIGOZHIN,T.ALBER . 402 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 6 1.5 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 . 2 0.5 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 . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 17.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 3 0 2 2 0 2 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 42 A A > 0 0 112 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.4 41.8 -5.7 42.9 2 43 A S H > + 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.935 360.0 47.1 -61.3 -46.8 40.5 -2.2 42.4 3 44 A H H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.829 109.4 55.2 -66.1 -31.3 37.0 -3.3 41.3 4 45 A A H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 107.5 50.2 -62.6 -43.3 37.0 -5.7 44.2 5 46 A N H X S+ 0 0 59 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.899 109.4 50.7 -60.2 -43.0 37.7 -2.7 46.4 6 47 A I H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 108.9 50.3 -62.4 -47.9 34.8 -0.8 44.8 7 48 A N H X S+ 0 0 84 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.902 109.5 53.1 -55.7 -40.9 32.4 -3.7 45.4 8 49 A A H X S+ 0 0 29 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.919 108.5 48.9 -59.6 -46.5 33.6 -3.7 49.0 9 50 A F H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 111.7 50.4 -57.4 -47.3 32.8 0.0 49.3 10 51 A K H X S+ 0 0 82 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.924 112.1 44.4 -59.0 -51.2 29.3 -0.5 47.8 11 52 A E H X S+ 0 0 115 -4,-2.3 4,-0.8 1,-0.2 3,-0.3 0.934 113.0 52.3 -61.0 -45.9 28.3 -3.4 50.0 12 53 A A H >< S+ 0 0 15 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.883 105.2 54.5 -60.2 -41.8 29.6 -1.7 53.1 13 54 A V H >< S+ 0 0 26 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.875 100.7 60.1 -61.6 -37.1 27.6 1.5 52.4 14 55 A T H 3< S+ 0 0 111 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.790 101.5 55.4 -61.5 -26.1 24.3 -0.5 52.2 15 56 A K T << S+ 0 0 163 -3,-0.9 2,-0.4 -4,-0.8 -1,-0.3 0.406 87.7 99.4 -88.8 1.0 24.9 -1.6 55.8 16 57 A I S < S- 0 0 36 -3,-1.8 2,-0.0 -4,-0.2 5,-0.0 -0.740 80.5-111.5 -93.6 135.7 25.2 1.9 57.2 17 58 A D > - 0 0 117 -2,-0.4 4,-2.7 1,-0.1 3,-0.3 -0.333 20.6-129.8 -60.7 140.0 22.2 3.6 58.9 18 59 A R H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.860 109.8 52.5 -64.1 -34.3 20.8 6.5 56.9 19 60 A V H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.840 110.4 49.7 -67.0 -30.7 20.9 8.8 59.9 20 61 A E H > S+ 0 0 62 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.931 109.6 50.2 -72.5 -47.8 24.5 7.8 60.3 21 62 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.923 111.0 50.5 -50.3 -48.3 25.3 8.6 56.7 22 63 A N H X S+ 0 0 78 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.881 107.1 51.9 -65.9 -39.7 23.6 12.0 57.0 23 64 A R H X S+ 0 0 129 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.912 111.2 48.1 -60.4 -43.3 25.6 13.0 60.1 24 65 A R H X S+ 0 0 34 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.901 109.0 53.3 -67.5 -39.7 28.8 12.2 58.4 25 66 A L H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.917 104.9 55.8 -57.9 -42.9 27.8 14.1 55.3 26 67 A E H X S+ 0 0 119 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.882 104.9 52.6 -58.4 -39.0 27.1 17.1 57.5 27 68 A L H X S+ 0 0 83 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.895 110.2 48.5 -61.6 -41.1 30.7 16.9 58.8 28 69 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 68,-0.3 0.911 110.0 50.9 -66.5 -42.9 31.9 16.9 55.2 29 70 A Y H X S+ 0 0 96 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.914 110.7 49.2 -60.1 -44.7 29.7 19.9 54.3 30 71 A A H X S+ 0 0 60 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.928 109.8 51.7 -60.5 -47.1 31.0 21.8 57.3 31 72 A Y H >X S+ 0 0 54 -4,-2.3 4,-1.7 1,-0.2 3,-0.5 0.951 111.7 46.5 -51.3 -53.4 34.6 21.0 56.3 32 73 A N H 3X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.873 106.9 58.6 -60.4 -37.4 33.9 22.3 52.8 33 74 A A H 3X S+ 0 0 64 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.848 103.9 51.4 -63.0 -33.3 32.3 25.4 54.2 34 75 A S H - 0 0 29 -2,-0.4 3,-0.9 108,-0.3 111,-0.0 -0.330 22.8-148.4 -52.4 122.8 51.3 19.4 42.7 45 91 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 36,-0.1 0.562 88.4 63.8 -72.9 -8.7 51.3 15.6 43.5 46 92 A Y T 3 0 0 33 1,-0.3 -2,-0.1 106,-0.1 125,-0.0 0.038 360.0 360.0-110.6 28.8 53.7 14.8 40.6 47 93 A S < 0 0 142 -3,-0.9 -1,-0.3 105,-0.1 -3,-0.1 -0.558 360.0 360.0 77.2 360.0 56.9 16.7 41.7 48 ! 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 49 102 A V 0 0 114 0, 0.0 28,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.3 45.7 11.1 56.5 50 103 A E > + 0 0 158 2,-0.1 3,-1.8 1,-0.0 4,-0.2 0.359 360.0 105.0-130.0 3.8 42.5 11.6 58.5 51 104 A Y T 3 S+ 0 0 27 1,-0.3 3,-0.2 2,-0.1 -20,-0.0 0.759 92.3 39.2 -59.8 -22.7 41.0 14.9 57.2 52 105 A A T >> S+ 0 0 0 1,-0.2 3,-2.1 2,-0.1 4,-0.7 0.110 74.5 122.1-116.0 20.7 38.3 12.9 55.3 53 106 A R G X4 + 0 0 179 -3,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.831 67.2 66.7 -54.1 -34.8 37.6 10.1 57.8 54 107 A M G 34 S+ 0 0 32 1,-0.3 -1,-0.3 -4,-0.2 -26,-0.1 0.770 107.3 40.6 -59.7 -24.6 34.0 11.1 58.0 55 108 A L G <4 S+ 0 0 0 -3,-2.1 2,-0.3 -28,-0.1 -1,-0.3 0.546 91.0 115.0 -98.3 -9.2 33.6 9.9 54.3 56 109 A E << + 0 0 53 -3,-1.1 2,-0.4 -4,-0.7 5,-0.2 -0.474 31.3 166.8 -80.1 129.1 35.8 6.8 54.6 57 110 A V B > S-A 60 0A 11 3,-3.0 3,-2.1 -2,-0.3 5,-0.2 -0.994 78.0 -7.1-136.0 126.9 34.4 3.3 54.1 58 111 A K T 3 S- 0 0 132 -2,-0.4 -49,-0.1 1,-0.3 -1,-0.1 0.926 131.2 -59.1 49.9 45.0 36.6 0.3 53.6 59 112 A E T 3 S+ 0 0 132 1,-0.2 18,-0.3 -6,-0.1 2,-0.3 0.415 120.2 101.1 69.3 2.5 39.5 2.8 53.4 60 113 A Q B < -A 57 0A 0 -3,-2.1 -3,-3.0 16,-0.1 16,-0.2 -0.850 62.3-150.6-118.8 150.6 37.9 4.7 50.4 61 114 A I S S- 0 0 1 14,-2.5 75,-0.4 -2,-0.3 2,-0.3 0.428 70.8 -72.1 -99.3 3.1 36.0 7.9 50.2 62 115 A G E -B 75 0B 0 13,-0.8 13,-2.9 -5,-0.2 2,-0.3 -0.968 54.2 -83.6 147.2-159.6 34.1 6.7 47.1 63 116 A H E -BC 74 134B 0 71,-2.1 71,-2.7 -2,-0.3 2,-0.5 -0.995 22.1-134.4-145.7 152.5 34.7 6.0 43.4 64 117 A V E -BC 73 133B 1 9,-2.7 9,-2.3 -2,-0.3 2,-0.5 -0.904 16.7-161.6-107.2 128.9 34.8 8.0 40.2 65 118 A I E -BC 72 132B 31 67,-3.1 67,-2.4 -2,-0.5 7,-0.2 -0.950 10.9-179.6-111.2 129.9 33.1 6.7 37.0 66 119 A I E > > -B 71 0B 3 5,-2.7 5,-1.6 -2,-0.5 3,-1.3 -0.841 4.9-173.0-125.5 92.4 34.0 8.0 33.5 67 120 A P G > 5S+ 0 0 71 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.830 75.7 67.6 -60.2 -36.0 31.8 6.2 31.0 68 121 A R G 3 5S+ 0 0 149 62,-0.4 63,-0.1 1,-0.3 132,-0.0 0.818 118.2 25.2 -53.7 -33.6 33.4 7.6 27.8 69 122 A I G < 5S- 0 0 20 -3,-1.3 -1,-0.3 2,-0.1 52,-0.1 0.201 109.6-118.9-117.2 15.5 36.6 5.6 28.6 70 123 A N T < 5 + 0 0 142 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.1 0.892 59.4 149.9 45.3 54.1 35.0 2.9 30.7 71 124 A Q E < +B 66 0B 35 -5,-1.6 -5,-2.7 2,-0.0 2,-0.3 -0.938 24.3 174.3-115.1 140.1 36.9 3.6 34.0 72 125 A D E +B 65 0B 29 -2,-0.4 -7,-0.2 -7,-0.2 -66,-0.1 -0.902 18.8 173.2-141.3 108.4 35.6 3.1 37.5 73 126 A I E -B 64 0B 6 -9,-2.3 -9,-2.7 -2,-0.3 14,-0.1 -0.961 31.4-116.4-130.7 132.4 38.3 3.8 40.0 74 127 A P E -B 63 0B 0 0, 0.0 14,-2.8 0, 0.0 2,-0.4 -0.360 26.9-136.8 -63.8 146.8 38.3 4.0 43.9 75 128 A I E -Bd 62 88B 0 -13,-2.9 -14,-2.5 12,-0.2 -13,-0.8 -0.918 18.2-168.9-108.8 131.8 39.1 7.3 45.5 76 129 A Y E - d 0 89B 3 12,-2.6 14,-2.3 -2,-0.4 2,-0.2 -0.882 30.7-102.5-115.4 148.4 41.5 7.5 48.5 77 130 A A E S+ d 0 90B 5 -18,-0.3 3,-0.3 -2,-0.3 14,-0.1 -0.485 88.1 13.9 -69.8 138.1 42.0 10.6 50.7 78 131 A G B S-E 90 0B 5 12,-0.6 12,-0.7 -2,-0.2 -2,-0.2 0.140 80.5-104.8 80.0 161.4 45.3 12.4 50.0 79 132 A S + 0 0 32 10,-0.2 -1,-0.1 4,-0.1 10,-0.1 -0.082 56.8 151.4-118.5 32.6 47.6 12.1 47.0 80 133 A A >> - 0 0 39 -3,-0.3 4,-2.3 1,-0.1 3,-1.4 -0.360 58.3-116.3 -60.8 144.3 50.4 10.1 48.5 81 134 A E H 3> S+ 0 0 73 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.774 115.9 64.4 -56.1 -27.3 52.2 7.9 45.9 82 135 A E H 34 S+ 0 0 141 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.880 108.4 39.5 -62.5 -40.4 51.0 4.9 47.9 83 136 A N H X> S+ 0 0 24 -3,-1.4 3,-1.7 1,-0.2 4,-1.4 0.885 110.9 57.3 -74.8 -43.1 47.5 5.8 47.0 84 137 A L H 3< S+ 0 0 0 -4,-2.3 26,-0.4 1,-0.3 -2,-0.2 0.700 99.5 62.0 -64.6 -17.6 48.3 6.9 43.5 85 138 A Q T 3< S+ 0 0 103 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.722 115.1 30.8 -77.0 -18.7 49.6 3.4 42.9 86 139 A R T <4 S- 0 0 106 -3,-1.7 2,-0.3 -4,-0.3 -2,-0.2 0.457 127.1 -45.3-121.6 -4.6 46.2 1.8 43.6 87 140 A G S < S- 0 0 0 -4,-1.4 23,-0.3 -14,-0.1 2,-0.3 -0.962 85.1 -20.4 175.0-148.9 43.6 4.4 42.4 88 141 A V E -d 75 0B 0 -14,-2.8 -12,-2.6 -2,-0.3 2,-0.4 -0.665 51.4-146.7 -87.9 140.6 42.6 8.0 42.4 89 142 A G E -dF 76 108B 0 19,-3.4 19,-3.0 -2,-0.3 2,-0.4 -0.870 8.2-135.1-103.6 140.7 43.9 10.4 45.0 90 143 A H E -dF 77 107B 0 -14,-2.3 2,-0.8 -12,-0.7 -12,-0.6 -0.799 25.9-122.6 -88.9 133.0 41.9 13.4 46.5 91 144 A L > - 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