==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-FEB-09 3G66 . COMPND 2 MOLECULE: SORTASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR F.NEIERS,C.MADHURANTAKAM,S.FALKER,C.MANZANO,A.DESSEN, . 386 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 22.8 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 1.6 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 . 25 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 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 . 4 2 2 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 2 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 47 A N > 0 0 94 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-107.9 33.6 -7.1 9.3 2 48 A E H > + 0 0 58 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 360.0 50.7 -61.9 -42.3 35.0 -9.5 6.5 3 49 A V H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 110.6 48.4 -63.9 -43.1 32.2 -8.5 4.2 4 50 A I H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.923 112.0 48.5 -65.7 -41.9 32.8 -4.8 4.7 5 51 A K H X S+ 0 0 158 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.891 111.6 51.0 -59.8 -42.8 36.6 -5.1 4.1 6 52 A E H X S+ 0 0 100 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.908 109.3 50.9 -63.8 -44.1 35.9 -7.1 1.0 7 53 A F H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.954 112.6 43.4 -58.6 -53.8 33.5 -4.5 -0.4 8 54 A D H X S+ 0 0 65 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.873 113.4 53.8 -64.9 -32.9 35.9 -1.6 0.1 9 55 A E H X S+ 0 0 115 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.933 110.5 46.1 -65.1 -46.1 38.8 -3.7 -1.3 10 56 A T H >X S+ 0 0 40 -4,-2.7 3,-1.3 1,-0.2 4,-0.7 0.944 111.4 51.1 -62.7 -47.4 36.8 -4.5 -4.5 11 57 A V H >< S+ 0 0 9 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.895 103.5 58.5 -58.2 -40.2 35.7 -0.9 -5.0 12 58 A S H 3< S+ 0 0 69 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.708 106.4 50.4 -64.8 -18.9 39.3 0.4 -4.7 13 59 A Q H << S+ 0 0 148 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.517 91.6 105.5 -94.1 -6.6 40.2 -1.9 -7.6 14 60 A M S << S- 0 0 36 -3,-1.4 2,-0.2 -4,-0.7 -3,-0.0 -0.357 81.6 -93.9 -77.2 154.5 37.3 -0.6 -9.8 15 61 A D > - 0 0 97 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.458 25.5-137.5 -62.5 124.8 37.7 1.7 -12.8 16 62 A K H > S+ 0 0 65 -2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.870 104.5 50.1 -52.1 -42.5 37.2 5.4 -11.9 17 63 A A H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 110.3 49.4 -67.2 -39.0 35.1 6.0 -15.1 18 64 A E H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.905 110.0 51.3 -65.6 -41.7 32.9 3.0 -14.3 19 65 A L H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.923 112.5 46.9 -59.0 -44.7 32.3 4.2 -10.7 20 66 A E H X S+ 0 0 119 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.910 113.2 47.7 -61.5 -45.3 31.3 7.6 -12.1 21 67 A E H X S+ 0 0 110 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.914 111.5 50.2 -65.6 -44.3 29.0 6.2 -14.7 22 68 A R H X S+ 0 0 53 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.908 110.3 51.2 -55.7 -47.5 27.3 3.8 -12.2 23 69 A W H X S+ 0 0 28 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.933 109.3 49.0 -59.4 -46.2 26.8 6.8 -9.8 24 70 A R H X S+ 0 0 148 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.850 108.7 54.2 -64.2 -33.8 25.2 8.9 -12.5 25 71 A L H X S+ 0 0 87 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.882 108.4 48.9 -66.7 -38.5 22.9 6.0 -13.4 26 72 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 66,-0.2 0.909 110.6 51.3 -63.4 -43.0 21.8 5.8 -9.8 27 73 A Q H X S+ 0 0 86 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.919 107.1 53.2 -61.4 -40.9 21.2 9.6 -9.8 28 74 A A H X S+ 0 0 53 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.932 108.8 49.8 -58.4 -45.9 19.0 9.2 -13.0 29 75 A F H >X S+ 0 0 52 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.926 111.9 47.5 -57.4 -48.5 16.9 6.6 -11.3 30 76 A N H 3< S+ 0 0 13 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.797 108.7 55.8 -62.8 -30.4 16.4 8.8 -8.2 31 77 A A H 3< S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.763 117.0 34.6 -73.3 -25.7 15.6 11.8 -10.4 32 78 A T H << S+ 0 0 113 -4,-1.3 2,-0.2 -3,-0.5 -1,-0.2 0.311 83.1 130.1-113.3 6.4 12.7 9.9 -12.1 33 79 A L < - 0 0 41 -4,-0.6 58,-0.1 -3,-0.3 3,-0.0 -0.461 46.0-146.8 -68.9 126.9 11.4 7.8 -9.3 34 80 A K - 0 0 67 -2,-0.2 -2,-0.1 1,-0.1 -1,-0.0 -0.750 25.3 -98.9 -91.3 140.5 7.6 8.0 -8.9 35 81 A P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.223 50.5 172.7 -43.4 140.6 5.8 7.7 -5.5 36 82 A S - 0 0 62 53,-0.2 2,-0.7 -3,-0.0 -3,-0.0 -0.929 42.9 -75.3-150.5 169.0 4.4 4.3 -4.8 37 83 A E - 0 0 171 -2,-0.3 2,-0.7 1,-0.0 0, 0.0 -0.646 45.8-154.0 -75.9 114.0 2.7 2.3 -2.0 38 84 A I - 0 0 29 -2,-0.7 2,-0.1 113,-0.1 113,-0.1 -0.833 11.9-155.2 -95.7 112.3 5.5 1.5 0.4 39 85 A L - 0 0 114 -2,-0.7 49,-0.1 49,-0.2 110,-0.1 -0.435 27.7 -93.7 -86.3 155.4 4.7 -1.7 2.5 40 86 A D - 0 0 21 3,-0.2 3,-0.3 108,-0.2 -1,-0.1 -0.565 34.0-147.3 -65.1 125.9 6.0 -2.8 5.9 41 87 A P S S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.771 86.8 54.4 -68.2 -27.5 9.0 -5.0 5.2 42 88 A F 0 0 46 1,-0.3 -2,-0.0 125,-0.0 126,-0.0 0.740 360.0 360.0 -86.6 -23.3 8.6 -7.4 8.2 43 89 A T 0 0 112 -3,-0.3 -1,-0.3 105,-0.1 -3,-0.2 -0.916 360.0 360.0-159.9 360.0 5.0 -8.6 7.8 44 ! 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 45 98 A S 0 0 123 0, 0.0 28,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-146.9 14.2 -6.6 -8.9 46 99 A E > + 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.182 360.0 107.2-154.9 -0.5 17.2 -5.3 -11.0 47 100 A Y T 3 S+ 0 0 58 1,-0.3 3,-0.2 2,-0.1 -18,-0.1 0.652 81.9 46.0 -69.7 -20.9 16.7 -1.6 -10.5 48 101 A A T >> S+ 0 0 1 1,-0.1 3,-2.0 2,-0.1 4,-0.7 0.096 76.3 117.3-101.3 15.9 19.7 -1.1 -8.1 49 102 A N G X4 + 0 0 83 -3,-1.9 3,-1.0 1,-0.3 -1,-0.1 0.823 64.8 64.8 -55.6 -31.4 22.1 -3.2 -10.3 50 103 A M G 34 S+ 0 0 32 1,-0.2 -1,-0.3 -3,-0.2 -24,-0.1 0.740 104.7 48.0 -66.2 -18.2 24.4 -0.3 -10.9 51 104 A L G <4 S+ 0 0 0 -3,-2.0 81,-0.3 4,-0.0 -1,-0.2 0.614 86.3 113.0 -93.9 -13.6 25.2 -0.3 -7.1 52 105 A K << + 0 0 44 -3,-1.0 2,-0.4 -4,-0.7 5,-0.2 -0.411 35.5 176.0 -76.2 131.5 25.8 -3.9 -6.7 53 106 A V B > S-A 56 0A 9 3,-3.0 3,-1.3 -2,-0.2 5,-0.1 -0.913 87.3 -26.8-130.7 98.2 29.3 -5.2 -5.9 54 107 A H T 3 S- 0 0 133 -2,-0.4 3,-0.1 1,-0.3 -47,-0.0 0.924 125.5 -54.1 51.1 48.4 29.1 -9.0 -5.4 55 108 A E T 3 S+ 0 0 112 1,-0.2 18,-0.5 -6,-0.1 2,-0.3 0.015 118.7 109.2 78.1 -22.7 25.4 -8.4 -4.4 56 109 A R B < -A 53 0A 33 -3,-1.3 -3,-3.0 16,-0.1 16,-0.2 -0.607 51.0-164.3 -80.3 144.0 26.2 -5.9 -1.7 57 110 A I - 0 0 0 14,-2.8 75,-0.3 1,-0.3 2,-0.3 0.355 58.8 -79.7-104.8 3.1 25.3 -2.3 -2.3 58 111 A G E -B 71 0B 1 13,-0.8 13,-2.8 73,-0.2 2,-0.3 -0.980 53.2 -81.8 142.1-149.5 27.5 -0.9 0.5 59 112 A Y E -BC 70 130B 13 71,-2.0 71,-3.1 -2,-0.3 2,-0.5 -0.990 20.6-124.9-154.2 159.4 27.2 -0.6 4.2 60 113 A V E -BC 69 129B 0 9,-2.7 9,-2.6 -2,-0.3 2,-0.5 -0.925 22.1-158.4-108.5 128.2 25.6 1.6 6.8 61 114 A E E +BC 68 128B 42 67,-3.1 67,-2.4 -2,-0.5 7,-0.2 -0.922 12.7 177.1-111.5 120.2 28.0 3.0 9.5 62 115 A I E > > -B 67 0B 0 5,-3.1 5,-1.7 -2,-0.5 3,-1.4 -0.817 7.0-178.1-128.0 89.8 26.4 4.1 12.8 63 116 A P G > 5S+ 0 0 41 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.811 78.2 68.5 -60.0 -30.1 29.1 5.2 15.3 64 117 A A G 3 5S+ 0 0 46 62,-0.4 63,-0.1 1,-0.3 -2,-0.0 0.797 116.2 25.8 -61.6 -27.7 26.5 5.9 18.1 65 118 A I G < 5S- 0 0 15 -3,-1.4 -1,-0.3 2,-0.1 52,-0.1 0.168 110.2-114.2-121.3 16.4 25.9 2.1 18.4 66 119 A D T < 5 + 0 0 145 -3,-1.1 2,-0.4 -4,-0.4 -2,-0.1 0.882 67.2 142.9 53.9 46.4 29.3 0.8 17.1 67 120 A Q E < +B 62 0B 38 -5,-1.7 -5,-3.1 46,-0.1 2,-0.3 -0.929 34.2 175.1-120.5 139.0 27.8 -0.8 13.9 68 121 A E E -B 61 0B 90 -2,-0.4 -7,-0.2 -7,-0.2 -64,-0.1 -0.902 24.8-177.5-134.2 108.6 29.0 -1.2 10.3 69 122 A I E -B 60 0B 3 -9,-2.6 -9,-2.7 -2,-0.3 14,-0.1 -0.933 25.8-120.6-118.7 125.6 26.3 -3.3 8.6 70 123 A P E -B 59 0B 19 0, 0.0 14,-2.7 0, 0.0 2,-0.4 -0.318 29.0-140.6 -64.5 145.6 26.4 -4.5 5.0 71 124 A M E +Bd 58 84B 0 -13,-2.8 -14,-2.8 12,-0.2 -13,-0.8 -0.868 20.5 178.5-110.8 145.3 23.5 -3.4 2.8 72 125 A Y E - d 0 85B 12 12,-2.3 14,-2.7 -2,-0.4 2,-0.4 -0.835 36.3 -90.4-132.3 168.9 21.6 -5.4 0.1 73 126 A V E S+ d 0 86B 28 -18,-0.5 3,-0.3 -2,-0.3 14,-0.1 -0.696 86.1 2.3 -85.8 128.9 18.6 -4.8 -2.2 74 127 A G S S- 0 0 10 12,-1.6 -2,-0.2 -2,-0.4 12,-0.2 -0.144 75.1 -97.8 89.8 175.7 15.2 -5.7 -0.8 75 128 A T + 0 0 15 10,-0.1 -1,-0.1 4,-0.1 10,-0.1 -0.013 59.7 142.9-131.4 28.4 13.9 -7.0 2.4 76 129 A S > - 0 0 63 -3,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.217 64.8-108.1 -63.1 162.5 13.4 -10.8 1.9 77 130 A E H > S+ 0 0 92 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.866 119.3 60.1 -69.2 -31.7 14.2 -13.0 4.9 78 131 A D H > S+ 0 0 134 2,-0.2 4,-0.5 1,-0.2 3,-0.5 0.955 109.7 43.1 -53.3 -50.6 17.4 -14.2 3.2 79 132 A I H >> S+ 0 0 22 1,-0.2 3,-1.9 2,-0.2 4,-1.3 0.949 111.7 52.3 -60.7 -50.6 18.7 -10.6 3.1 80 133 A L H 3< S+ 0 0 1 -4,-2.4 26,-0.4 1,-0.3 -1,-0.2 0.695 100.8 62.1 -68.9 -15.1 17.6 -9.6 6.6 81 134 A Q H 3< S+ 0 0 110 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.719 116.4 31.3 -76.2 -18.3 19.4 -12.7 8.1 82 135 A K H << S- 0 0 111 -3,-1.9 2,-0.3 -4,-0.5 -2,-0.2 0.489 127.1 -40.5-117.8 -8.0 22.7 -11.3 6.8 83 136 A G S < S- 0 0 0 -4,-1.3 23,-0.3 -14,-0.1 2,-0.3 -0.951 79.5 -39.2 173.9-158.8 22.5 -7.5 6.9 84 137 A A E -d 71 0B 0 -14,-2.7 -12,-2.3 -2,-0.3 2,-0.4 -0.711 49.2-142.1 -95.9 153.6 20.3 -4.4 6.2 85 138 A G E -dE 72 104B 0 19,-2.8 19,-3.1 -2,-0.3 2,-0.5 -0.944 12.5-124.8-121.2 138.1 18.0 -4.2 3.2 86 139 A L E -dE 73 103B 0 -14,-2.7 -12,-1.6 -2,-0.4 17,-0.2 -0.657 40.9-116.0 -72.8 123.2 17.0 -1.3 0.9 87 140 A L > - 0 0 0 15,-2.7 3,-1.7 -2,-0.5 15,-0.2 -0.385 26.2-108.2 -70.2 133.7 13.2 -0.9 1.0 88 141 A E T 3 S+ 0 0 88 1,-0.2 -49,-0.2 -2,-0.1 -1,-0.1 -0.418 104.0 22.5 -56.3 123.3 11.2 -1.5 -2.2 89 142 A G T 3 S+ 0 0 26 1,-0.4 -1,-0.2 -2,-0.2 -53,-0.2 0.253 99.2 111.0 100.8 -12.5 9.8 1.8 -3.5 90 143 A A S < S- 0 0 2 -3,-1.7 -1,-0.4 12,-0.1 11,-0.2 -0.484 75.8 -86.2 -92.4 166.2 12.4 4.1 -1.8 91 144 A S - 0 0 0 9,-2.0 11,-0.5 -2,-0.2 -1,-0.1 -0.318 47.8-101.4 -63.3 151.7 15.2 6.2 -3.4 92 145 A L > - 0 0 1 -66,-0.2 2,-1.9 9,-0.1 3,-0.6 -0.443 40.5-103.7 -65.4 150.7 18.6 4.6 -4.0 93 146 A P T 3 S+ 0 0 0 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 -0.155 97.2 98.8 -78.0 48.7 21.2 5.5 -1.3 94 147 A V T 3 S- 0 0 3 -2,-1.9 -67,-0.0 1,-0.3 -2,-0.0 0.247 78.0-140.0-111.8 7.6 23.0 8.1 -3.5 95 148 A G < + 0 0 4 -3,-0.6 -1,-0.3 67,-0.1 2,-0.1 -0.124 36.3 150.6 71.5-164.8 21.3 11.1 -2.0 96 149 A G > - 0 0 30 3,-0.1 3,-0.7 63,-0.0 66,-0.2 -0.191 56.2 -56.8 112.3 152.8 20.1 14.2 -4.0 97 150 A E T 3 S+ 0 0 144 1,-0.2 64,-0.2 64,-0.1 3,-0.1 -0.362 122.7 21.4 -58.1 142.3 17.3 16.7 -3.6 98 151 A N T 3 S+ 0 0 48 62,-0.9 2,-0.3 59,-0.4 -1,-0.2 0.891 98.5 125.0 63.1 38.6 13.8 15.2 -3.3 99 152 A T E < - 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