==== 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 3G69 . COMPND 2 MOLECULE: SORTASE C; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR F.NEIERS,C.MADHURANTAKAM,S.FALKER,C.MANZANO,A.DESSEN, . 389 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 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 22.6 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 . 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 . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 15.4 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 2 0 0 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 85 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -78.2 8.6 -7.2 8.7 2 48 A E H > + 0 0 63 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.823 360.0 52.0 -58.1 -38.7 10.6 -9.7 6.6 3 49 A V H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.930 107.7 48.4 -67.4 -40.1 7.8 -8.6 4.2 4 50 A I H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 111.6 49.8 -68.7 -40.6 8.5 -4.9 4.6 5 51 A K H X S+ 0 0 162 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.903 111.6 48.3 -61.0 -47.5 12.2 -5.4 4.1 6 52 A E H X S+ 0 0 104 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.899 111.0 52.7 -60.9 -44.6 11.6 -7.4 0.9 7 53 A F H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.942 112.2 42.1 -55.5 -56.9 9.2 -4.7 -0.3 8 54 A D H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.868 114.1 54.1 -61.8 -35.5 11.6 -1.8 0.2 9 55 A E H X S+ 0 0 116 -4,-2.1 4,-0.8 -5,-0.2 -2,-0.2 0.930 110.0 45.4 -65.2 -45.3 14.5 -3.9 -1.3 10 56 A T H >X S+ 0 0 45 -4,-2.8 3,-1.2 2,-0.2 4,-0.5 0.943 111.6 53.0 -61.3 -46.6 12.5 -4.7 -4.5 11 57 A V H >< S+ 0 0 8 -4,-2.6 3,-1.9 1,-0.3 -2,-0.2 0.933 103.3 56.6 -58.1 -42.7 11.5 -1.0 -4.9 12 58 A S H 3< S+ 0 0 72 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.744 106.1 52.6 -62.6 -19.2 15.1 0.2 -4.6 13 59 A Q H << S+ 0 0 148 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.501 90.1 103.8 -88.6 -5.4 15.9 -2.2 -7.6 14 60 A M S << S- 0 0 36 -3,-1.9 2,-0.2 -4,-0.5 -3,-0.0 -0.472 80.6-100.4 -82.9 147.5 13.1 -0.7 -9.8 15 61 A D > - 0 0 98 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.400 24.0-133.6 -62.4 133.5 13.7 1.7 -12.7 16 62 A K H > S+ 0 0 59 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.863 103.1 49.2 -59.5 -44.4 13.0 5.4 -11.9 17 63 A A H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 113.8 48.3 -65.3 -35.5 11.0 6.2 -15.1 18 64 A E H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.911 108.9 52.0 -71.7 -41.6 8.9 3.1 -14.5 19 65 A L H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.918 113.1 47.8 -56.0 -41.6 8.4 4.1 -10.8 20 66 A E H X S+ 0 0 111 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.860 109.5 50.2 -68.8 -37.6 7.2 7.5 -12.0 21 67 A E H X S+ 0 0 114 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.826 110.4 51.7 -71.2 -33.8 4.8 6.2 -14.7 22 68 A R H X S+ 0 0 56 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.922 107.7 51.2 -65.2 -47.2 3.2 3.9 -12.1 23 69 A W H X S+ 0 0 29 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.942 110.2 49.7 -54.4 -45.3 2.7 6.8 -9.8 24 70 A R H X S+ 0 0 141 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.870 107.1 54.4 -66.4 -35.4 1.0 8.8 -12.5 25 71 A L H X S+ 0 0 88 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.901 109.6 47.4 -63.1 -39.4 -1.3 5.9 -13.4 26 72 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 68,-0.2 0.895 111.3 51.2 -68.7 -40.8 -2.5 5.7 -9.8 27 73 A Q H X S+ 0 0 88 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.907 107.9 52.8 -62.7 -38.3 -3.0 9.5 -9.7 28 74 A A H X S+ 0 0 56 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.890 108.8 50.2 -63.5 -38.6 -5.1 9.2 -12.9 29 75 A F H >X S+ 0 0 62 -4,-1.8 4,-1.2 1,-0.2 3,-0.5 0.958 110.4 49.4 -65.3 -48.8 -7.2 6.5 -11.2 30 76 A N H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.774 108.0 54.6 -56.3 -27.8 -7.7 8.8 -8.1 31 77 A A H 3< S+ 0 0 87 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.2 37.0 -83.1 -24.7 -8.7 11.8 -10.3 32 78 A T H << S+ 0 0 113 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.491 82.0 127.1-102.8 -8.5 -11.4 9.8 -12.1 33 79 A L < - 0 0 43 -4,-1.2 60,-0.1 -5,-0.1 3,-0.0 -0.309 50.0-142.7 -60.7 122.2 -12.9 7.6 -9.3 34 80 A K - 0 0 71 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.605 25.0 -99.8 -80.5 149.2 -16.7 7.9 -8.9 35 81 A P + 0 0 125 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.456 52.3 171.2 -64.1 134.1 -18.4 7.9 -5.5 36 82 A S - 0 0 77 55,-0.2 2,-0.7 -2,-0.2 -3,-0.0 -0.813 41.3 -78.4-137.0 177.1 -19.9 4.5 -4.8 37 83 A E - 0 0 174 -2,-0.2 2,-0.6 1,-0.0 0, 0.0 -0.737 44.0-151.8 -88.1 113.0 -21.6 2.5 -1.9 38 84 A I - 0 0 38 -2,-0.7 2,-0.2 115,-0.1 115,-0.2 -0.768 10.4-154.3 -94.0 116.2 -18.9 1.3 0.5 39 85 A L - 0 0 127 -2,-0.6 51,-0.1 51,-0.2 112,-0.1 -0.534 30.0 -88.8 -90.7 152.2 -19.7 -1.9 2.5 40 86 A D > - 0 0 18 110,-0.2 3,-1.0 -2,-0.2 -1,-0.1 -0.443 30.9-149.7 -55.0 119.3 -18.4 -3.1 5.8 41 87 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.654 92.3 62.3 -62.0 -20.9 -15.1 -5.1 5.2 42 88 A F T 3 S+ 0 0 45 108,-0.1 2,-0.3 127,-0.1 -2,-0.1 0.366 102.2 57.8 -93.3 9.2 -15.8 -7.4 8.2 43 89 A T < 0 0 89 -3,-1.0 -4,-0.0 107,-0.1 0, 0.0 -0.985 360.0 360.0-141.6 143.9 -19.0 -8.8 6.8 44 90 A E 0 0 146 -2,-0.3 0, 0.0 -5,-0.0 0, 0.0 -0.382 360.0 360.0 58.9 360.0 -20.0 -10.6 3.6 45 ! 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 46 97 A V 0 0 155 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.6 -12.3 -9.6 -11.4 47 98 A S + 0 0 62 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.533 360.0 171.0 -97.3 128.6 -10.1 -6.7 -10.3 48 99 A E > + 0 0 135 -2,-0.3 3,-2.0 2,-0.0 4,-0.3 0.116 43.6 147.2 -98.4 14.7 -7.2 -4.7 -11.8 49 100 A Y T 3 S- 0 0 37 1,-0.3 26,-0.1 2,-0.1 -2,-0.0 -0.298 74.0 -5.5 -56.9 127.0 -7.6 -2.4 -8.8 50 101 A A T >> S+ 0 0 3 1,-0.1 3,-2.3 3,-0.1 4,-0.8 0.582 83.0 145.4 62.7 13.8 -4.2 -1.0 -7.9 51 102 A N G X4 + 0 0 57 -3,-2.0 3,-0.8 1,-0.3 -2,-0.1 0.856 68.9 58.6 -46.9 -37.4 -2.2 -3.1 -10.4 52 103 A M G 34 S+ 0 0 32 -4,-0.3 -1,-0.3 1,-0.2 -26,-0.1 0.717 107.5 49.4 -70.1 -15.1 0.3 -0.3 -11.0 53 104 A L G <4 S+ 0 0 0 -3,-2.3 81,-0.3 4,-0.0 2,-0.3 0.581 83.9 114.5 -99.8 -13.5 1.1 -0.4 -7.2 54 105 A K << + 0 0 52 -3,-0.8 2,-0.5 -4,-0.8 5,-0.2 -0.452 34.9 177.1 -69.7 125.1 1.6 -4.1 -6.8 55 106 A V B > S-A 58 0A 8 3,-3.0 3,-1.5 -2,-0.3 5,-0.1 -0.903 87.0 -30.2-124.8 95.6 5.0 -5.4 -5.9 56 107 A H T 3 S- 0 0 141 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.924 124.8 -51.8 50.3 46.3 4.7 -9.1 -5.5 57 108 A E T 3 S+ 0 0 122 1,-0.2 18,-0.5 -6,-0.1 2,-0.3 0.062 118.8 109.8 82.3 -20.0 1.0 -8.5 -4.4 58 109 A R B < -A 55 0A 32 -3,-1.5 -3,-3.0 16,-0.1 16,-0.2 -0.716 49.1-167.2 -81.9 138.8 2.0 -5.9 -1.7 59 110 A I - 0 0 0 14,-2.2 75,-0.3 -2,-0.3 2,-0.3 0.362 59.7 -83.0-106.0 -0.9 1.0 -2.4 -2.5 60 111 A G E -B 73 0B 1 13,-0.8 13,-2.6 73,-0.2 2,-0.3 -0.973 51.6 -75.6 145.9-147.0 3.2 -1.1 0.4 61 112 A Y E -BC 72 132B 12 71,-2.3 71,-3.4 -2,-0.3 2,-0.5 -0.993 22.1-128.2-151.0 157.2 3.0 -0.7 4.1 62 113 A V E -BC 71 131B 0 9,-2.6 9,-2.5 -2,-0.3 2,-0.6 -0.901 21.7-156.7-107.5 131.5 1.4 1.6 6.8 63 114 A E E +BC 70 130B 37 67,-3.6 67,-2.5 -2,-0.5 7,-0.2 -0.908 13.9 176.7-113.9 121.2 3.6 2.9 9.4 64 115 A I E > > -B 69 0B 0 5,-3.3 3,-1.7 -2,-0.6 5,-1.6 -0.764 7.6-179.2-130.1 90.0 2.2 4.0 12.8 65 116 A P G > 5S+ 0 0 36 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.828 78.2 69.6 -60.9 -28.4 4.8 5.2 15.3 66 117 A A G 3 5S+ 0 0 48 62,-0.4 63,-0.1 1,-0.3 -2,-0.0 0.818 116.1 25.3 -58.7 -26.1 2.2 5.9 18.0 67 118 A I G < 5S- 0 0 14 -3,-1.7 -1,-0.3 2,-0.1 52,-0.1 0.115 109.8-113.3-127.7 18.3 1.6 2.1 18.3 68 119 A D T < 5 + 0 0 152 -3,-1.2 2,-0.4 -4,-0.3 -2,-0.1 0.877 68.1 141.7 52.2 47.7 5.0 0.8 17.1 69 120 A Q E < +B 64 0B 34 -5,-1.6 -5,-3.3 46,-0.1 2,-0.4 -0.939 34.5 175.0-123.4 141.8 3.5 -0.8 13.9 70 121 A E E -B 63 0B 94 -2,-0.4 -7,-0.2 -7,-0.2 -66,-0.1 -0.912 25.6-179.0-138.6 108.9 4.6 -1.2 10.2 71 122 A I E -B 62 0B 5 -9,-2.5 -9,-2.6 -2,-0.4 14,-0.1 -0.951 26.9-116.5-121.8 125.1 2.0 -3.4 8.6 72 123 A P E -B 61 0B 16 0, 0.0 14,-3.0 0, 0.0 2,-0.4 -0.337 27.6-139.5 -62.1 142.0 2.0 -4.6 5.0 73 124 A M E +Bd 60 86B 0 -13,-2.6 -14,-2.2 12,-0.2 -13,-0.8 -0.822 21.4 178.3-102.7 144.1 -0.8 -3.4 2.7 74 125 A Y E - d 0 87B 12 12,-2.2 14,-2.5 -2,-0.4 2,-0.4 -0.820 36.1 -90.5-134.3 166.3 -2.7 -5.5 0.2 75 126 A V E S+ d 0 88B 30 -18,-0.5 3,-0.3 -2,-0.3 14,-0.1 -0.720 87.5 0.5 -80.2 128.1 -5.6 -5.0 -2.2 76 127 A G S S- 0 0 20 12,-1.6 12,-0.3 -2,-0.4 -2,-0.2 -0.063 76.7 -99.1 84.0 169.6 -9.1 -5.8 -0.9 77 128 A T + 0 0 31 10,-0.2 -1,-0.1 4,-0.1 10,-0.1 -0.203 61.2 144.3-126.3 39.0 -10.3 -7.0 2.5 78 129 A S > - 0 0 68 -3,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.323 64.7-108.3 -67.6 163.9 -10.8 -10.8 1.9 79 130 A E H > S+ 0 0 101 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.844 118.7 63.7 -69.9 -29.4 -9.9 -13.0 4.8 80 131 A D H 4 S+ 0 0 109 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.922 111.4 39.1 -52.5 -44.5 -6.8 -14.3 3.0 81 132 A I H >> S+ 0 0 16 -3,-0.3 3,-2.3 1,-0.2 4,-1.1 0.949 111.3 54.7 -70.9 -50.6 -5.5 -10.7 3.2 82 133 A L H 3< S+ 0 0 1 -4,-2.4 26,-0.4 1,-0.3 -1,-0.2 0.753 101.7 61.4 -64.4 -20.4 -6.8 -9.7 6.7 83 134 A Q T 3< S+ 0 0 104 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.705 116.1 30.6 -72.5 -16.3 -4.9 -12.8 8.1 84 135 A K T <4 S- 0 0 92 -3,-2.3 2,-0.3 -4,-0.3 -2,-0.2 0.441 125.5 -42.7-124.8 1.2 -1.6 -11.3 6.9 85 136 A G S < S- 0 0 0 -4,-1.1 23,-0.3 -14,-0.1 2,-0.3 -0.984 80.1 -35.3 166.1-161.3 -1.8 -7.5 6.9 86 137 A A E -d 73 0B 0 -14,-3.0 -12,-2.2 -2,-0.3 2,-0.4 -0.671 49.4-145.5 -91.5 146.7 -3.9 -4.4 6.1 87 138 A G E -dE 74 106B 0 19,-2.8 19,-3.5 -2,-0.3 2,-0.5 -0.930 13.5-124.0-115.7 143.6 -6.2 -4.3 3.2 88 139 A L E -dE 75 105B 0 -14,-2.5 -12,-1.6 -2,-0.4 17,-0.2 -0.676 40.1-112.9 -81.3 127.7 -7.1 -1.4 0.9 89 140 A L > - 0 0 4 15,-3.4 3,-1.5 -2,-0.5 15,-0.2 -0.359 26.9-110.4 -74.5 135.5 -10.9 -0.9 0.9 90 141 A E T 3 S+ 0 0 66 1,-0.2 -51,-0.2 -51,-0.1 -1,-0.1 -0.389 100.9 20.8 -60.1 132.4 -12.9 -1.6 -2.3 91 142 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.2 -2,-0.1 -55,-0.2 0.229 102.4 106.2 92.0 -14.8 -14.3 1.6 -3.8 92 143 A A S < S- 0 0 4 -3,-1.5 -1,-0.3 1,-0.1 11,-0.2 -0.473 77.7 -78.4 -94.9 171.4 -12.0 4.0 -2.1 93 144 A S - 0 0 0 9,-1.6 11,-0.5 -2,-0.1 -1,-0.1 -0.272 47.2-105.0 -58.5 147.1 -9.0 6.0 -3.4 94 145 A L > - 0 0 0 -68,-0.2 2,-2.5 9,-0.1 3,-0.8 -0.467 39.5-106.3 -62.8 145.7 -5.6 4.4 -3.9 95 146 A P T 3 S+ 0 0 0 0, 0.0 43,-0.1 0, 0.0 -1,-0.1 -0.246 97.6 99.9 -77.0 55.3 -3.2 5.4 -1.2 96 147 A V T 3 S- 0 0 3 -2,-2.5 -69,-0.1 1,-0.3 41,-0.0 0.244 78.8-143.4-116.4 3.2 -1.2 7.9 -3.5 97 148 A G < + 0 0 2 -3,-0.8 -1,-0.3 67,-0.1 2,-0.1 -0.169 34.3 154.7 67.1-152.2 -3.1 10.8 -2.0 98 149 A G > - 0 0 29 3,-0.1 3,-0.9 -3,-0.1 66,-0.2 -0.283 53.2 -51.9 111.1 156.3 -4.2 13.9 -4.0 99 150 A E T 3 S+ 0 0 165 1,-0.2 63,-0.2 -2,-0.1 64,-0.2 -0.404 123.3 16.7 -67.1 144.8 -6.9 16.5 -3.8 100 151 A N T 3 S+ 0 0 57 62,-0.6 2,-0.3 59,-0.3 -1,-0.2 0.889 99.4 127.7 58.4 40.9 -10.5 15.1 -3.4 101 152 A T E < - 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