==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE , HYDROLASE 19-JUL-10 3O0P . COMPND 2 MOLECULE: SORTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR E.MALITO,G.SPRAGGON . 194 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9445.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 1.0 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 . 1 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 . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 0 2 0 0 1 1 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 1 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 Q 0 0 92 0, 0.0 4,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 39.6 -2.5 -6.2 2.0 2 48 A T > + 0 0 12 2,-0.1 4,-1.9 72,-0.1 3,-0.3 0.508 360.0 87.7-133.7 -15.3 0.9 -6.9 0.4 3 49 A Q H > S+ 0 0 158 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.836 87.0 59.0 -63.9 -33.2 0.2 -7.8 -3.3 4 50 A D H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 105.5 49.2 -62.7 -41.7 0.4 -4.1 -4.2 5 51 A F H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 5,-0.2 0.942 111.1 49.6 -61.0 -48.9 3.9 -3.9 -2.9 6 52 A E H X S+ 0 0 67 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.920 112.1 47.8 -56.5 -46.2 5.0 -7.0 -4.8 7 53 A R H X S+ 0 0 197 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.925 114.7 45.1 -63.0 -45.7 3.5 -5.6 -8.0 8 54 A A H >< S+ 0 0 28 -4,-2.3 3,-0.7 1,-0.2 4,-0.5 0.891 110.3 53.8 -70.0 -35.9 5.1 -2.2 -7.7 9 55 A A H >< S+ 0 0 6 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.905 104.8 55.6 -63.9 -38.7 8.5 -3.7 -6.7 10 56 A K H 3< S+ 0 0 84 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 100.8 60.0 -68.6 -21.0 8.6 -5.8 -9.8 11 57 A K T << S+ 0 0 177 -4,-0.8 -1,-0.3 -3,-0.7 2,-0.2 0.597 81.5 100.6 -83.0 -10.2 8.1 -2.7 -12.0 12 58 A L S < S- 0 0 32 -3,-1.3 2,-0.0 -4,-0.5 -3,-0.0 -0.527 76.3-122.0 -74.4 139.8 11.3 -1.0 -10.8 13 59 A S > - 0 0 66 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.339 22.9-111.1 -72.0 162.2 14.2 -1.3 -13.2 14 60 A Q H > S+ 0 0 124 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 119.8 53.7 -63.8 -37.0 17.4 -3.0 -12.0 15 61 A K H > S+ 0 0 183 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 110.5 47.0 -61.4 -40.5 19.2 0.4 -12.2 16 62 A E H > S+ 0 0 51 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.891 110.7 50.7 -71.4 -39.7 16.5 1.9 -10.0 17 63 A I H X S+ 0 0 8 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.945 112.0 49.3 -59.5 -44.4 16.6 -0.9 -7.5 18 64 A N H X S+ 0 0 95 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.885 110.8 49.1 -62.1 -40.6 20.4 -0.5 -7.4 19 65 A R H X S+ 0 0 125 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.941 115.4 43.6 -63.9 -47.0 20.1 3.3 -6.8 20 66 A R H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.900 113.0 50.8 -65.6 -44.8 17.6 2.8 -4.0 21 67 A M H X S+ 0 0 23 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.847 107.6 55.3 -63.4 -32.0 19.4 -0.0 -2.4 22 68 A A H X S+ 0 0 57 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.925 108.0 48.0 -64.8 -43.6 22.6 2.2 -2.5 23 69 A L H X S+ 0 0 81 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.894 112.1 49.8 -62.3 -39.6 20.7 4.9 -0.6 24 70 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 72,-0.3 0.905 111.3 48.5 -66.5 -41.8 19.5 2.3 1.9 25 71 A Q H X S+ 0 0 79 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.913 111.6 49.6 -61.8 -47.2 23.0 0.9 2.4 26 72 A A H X S+ 0 0 57 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.908 110.4 51.0 -59.2 -41.8 24.4 4.4 2.9 27 73 A Y H < S+ 0 0 51 -4,-2.2 3,-0.5 1,-0.2 4,-0.2 0.942 111.0 48.6 -59.8 -46.7 21.7 5.2 5.4 28 74 A N H >< S+ 0 0 14 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.895 108.8 53.0 -62.9 -39.5 22.5 2.0 7.3 29 75 A D H 3< S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 115.3 40.6 -66.4 -27.7 26.2 2.8 7.3 30 76 A S T 3< S+ 0 0 89 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.260 86.8 146.5-100.6 11.9 25.5 6.2 8.8 31 77 A L < - 0 0 39 -3,-1.2 2,-0.5 -4,-0.2 -3,-0.1 -0.202 29.9-166.9 -54.9 128.1 22.8 4.9 11.2 32 78 A N > - 0 0 117 62,-0.1 3,-1.1 1,-0.1 -1,-0.1 -0.983 12.1-153.6-116.7 121.3 22.6 6.7 14.5 33 79 A N G > S+ 0 0 73 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.350 73.1 101.4 -80.3 10.6 20.5 4.8 17.1 34 80 A V G 3 + 0 0 79 1,-0.3 -1,-0.3 3,-0.0 59,-0.0 0.751 69.9 72.5 -58.3 -20.7 19.6 8.0 18.9 35 81 A H G < S+ 0 0 34 -3,-1.1 2,-0.4 58,-0.1 -1,-0.3 0.534 70.8 125.2 -72.4 -1.1 16.2 7.7 17.0 36 82 A L < + 0 0 19 -3,-1.7 2,-0.3 57,-0.2 57,-0.1 -0.422 28.8 154.5 -73.9 119.0 15.3 4.7 19.3 37 83 A E - 0 0 136 -2,-0.4 55,-0.1 55,-0.4 116,-0.1 -0.984 48.8-105.7-138.9 146.5 12.0 5.2 21.0 38 84 A D > - 0 0 29 -2,-0.3 3,-1.1 1,-0.1 6,-0.1 -0.632 24.3-157.4 -70.4 115.6 9.5 2.7 22.4 39 85 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.682 86.8 56.8 -67.9 -16.3 6.5 2.6 20.0 40 86 A Y T 3 + 0 0 23 112,-0.1 2,-0.4 131,-0.1 -2,-0.0 0.325 66.0 126.8-106.7 7.4 4.1 1.3 22.7 41 87 A E X - 0 0 41 -3,-1.1 3,-1.7 1,-0.2 137,-0.0 -0.534 56.7-142.5 -63.0 118.2 4.5 4.0 25.4 42 88 A K T 3 S+ 0 0 104 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.869 95.3 37.7 -56.4 -45.3 0.9 4.9 26.0 43 89 A K T 3 S+ 0 0 208 2,-0.1 -1,-0.3 -3,-0.0 2,-0.1 -0.005 86.7 138.9-101.9 30.7 1.4 8.6 26.5 44 90 A R < 0 0 61 -3,-1.7 0, 0.0 -5,-0.1 0, 0.0 -0.455 360.0 360.0 -68.6 141.9 4.1 9.0 23.9 45 91 A I 0 0 144 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.789 360.0 360.0 -77.0 360.0 4.1 12.0 21.6 46 ! 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 47 94 A G 0 0 117 0, 0.0 33,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 176.6 4.8 12.5 12.2 48 95 A I - 0 0 140 1,-0.1 2,-0.4 30,-0.0 30,-0.1 -0.371 360.0-113.5 -58.2 130.9 4.8 10.8 8.8 49 96 A A + 0 0 22 28,-0.3 28,-0.1 1,-0.1 -1,-0.1 -0.579 42.2 165.7 -76.8 128.4 8.0 8.8 8.3 50 97 A E > + 0 0 121 -2,-0.4 3,-1.1 1,-0.1 -1,-0.1 0.468 54.0 87.5-114.2 -8.3 10.4 10.1 5.7 51 98 A Y T 3 S+ 0 0 28 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.650 92.3 41.8 -78.1 -16.0 13.7 8.3 6.5 52 99 A A T > S+ 0 0 0 1,-0.1 3,-1.9 2,-0.1 4,-0.5 0.083 70.2 123.5-116.8 24.4 13.0 5.1 4.4 53 100 A R G X + 0 0 106 -3,-1.1 3,-1.4 1,-0.3 -1,-0.1 0.825 68.2 65.3 -58.2 -32.2 11.5 6.7 1.2 54 101 A M G 3 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.2 -30,-0.1 0.799 105.5 44.5 -61.4 -26.4 14.2 5.0 -0.9 55 102 A L G < S+ 0 0 0 -3,-1.9 2,-0.4 -32,-0.1 -1,-0.3 0.467 94.3 108.4 -94.3 -1.3 12.7 1.6 0.0 56 103 A E < + 0 0 28 -3,-1.4 2,-0.3 -4,-0.5 5,-0.2 -0.641 29.2 155.6 -90.8 130.7 9.1 2.6 -0.5 57 104 A V B > S+A 60 0A 13 3,-2.2 3,-2.1 -2,-0.4 5,-0.1 -0.972 79.5 8.8-138.7 145.3 6.7 1.5 -3.2 58 105 A S T 3 S- 0 0 46 -2,-0.3 -53,-0.1 1,-0.3 3,-0.1 0.850 131.9 -65.6 51.8 35.7 2.9 1.5 -2.8 59 106 A E T 3 S+ 0 0 143 1,-0.2 18,-0.3 -6,-0.1 2,-0.3 0.472 117.0 100.0 75.9 0.7 3.6 3.3 0.6 60 107 A K B < -A 57 0A 19 -3,-2.1 -3,-2.2 16,-0.1 16,-0.2 -0.876 59.3-155.5-122.4 151.2 5.3 0.3 2.0 61 108 A I S S- 0 0 0 14,-2.7 75,-0.3 -2,-0.3 2,-0.3 0.460 70.9 -42.5-104.1 -1.5 8.9 -0.8 2.6 62 109 A G E -B 75 0B 0 13,-1.1 13,-2.8 73,-0.1 2,-0.4 -0.992 54.5 -90.3 170.0-169.3 8.4 -4.5 2.6 63 110 A I E -BC 74 134B 1 71,-1.7 71,-2.5 -2,-0.3 2,-0.5 -0.998 23.7-151.2-135.7 131.0 6.5 -7.5 3.8 64 111 A I E -BC 73 133B 1 9,-2.7 9,-2.7 -2,-0.4 2,-0.5 -0.932 13.6-168.6-105.3 124.2 7.0 -9.5 6.9 65 112 A S E +BC 72 132B 28 67,-2.9 67,-2.5 -2,-0.5 7,-0.2 -0.964 14.2 175.1-114.0 127.1 6.1 -13.2 6.8 66 113 A V E > > -B 71 0B 1 5,-2.8 5,-1.7 -2,-0.5 3,-1.4 -0.842 8.8-173.2-127.7 88.5 5.9 -15.4 9.9 67 114 A P G > 5S+ 0 0 78 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.828 76.2 64.3 -60.6 -32.1 4.6 -18.8 8.7 68 115 A K G 3 5S+ 0 0 105 62,-0.4 63,-0.1 1,-0.3 61,-0.0 0.816 114.2 32.9 -62.8 -29.1 4.1 -20.4 12.0 69 116 A I G < 5S- 0 0 19 -3,-1.4 -1,-0.3 2,-0.1 52,-0.1 0.218 112.3-116.4-111.5 13.1 1.5 -17.8 13.0 70 117 A G T < 5 + 0 0 62 -3,-1.3 2,-0.4 -4,-0.3 -2,-0.1 0.738 63.5 147.1 63.2 28.5 0.1 -17.4 9.5 71 118 A Q E < +B 66 0B 33 -5,-1.7 -5,-2.8 46,-0.1 2,-0.3 -0.804 22.9 165.5-102.7 134.4 1.0 -13.8 9.2 72 119 A K E +B 65 0B 101 -2,-0.4 -7,-0.2 -7,-0.2 -70,-0.1 -0.843 25.7 170.3-141.6 100.0 2.1 -12.0 6.0 73 120 A L E -B 64 0B 20 -9,-2.7 -9,-2.7 -2,-0.3 2,-0.1 -0.853 36.1-109.3-119.6 145.9 1.9 -8.2 6.7 74 121 A P E -B 63 0B 5 0, 0.0 14,-2.8 0, 0.0 2,-0.5 -0.467 29.5-140.4 -65.7 144.8 2.9 -5.0 5.0 75 122 A I E -Bd 62 88B 0 -13,-2.8 -14,-2.7 12,-0.2 -13,-1.1 -0.959 18.3-168.3-107.6 125.4 5.8 -3.2 6.6 76 123 A F E - d 0 89B 12 12,-2.7 14,-1.3 -2,-0.5 -16,-0.1 -0.788 31.8 -96.3-106.4 152.1 5.6 0.6 6.8 77 124 A A S S+ 0 0 7 -18,-0.3 -28,-0.3 -2,-0.3 3,-0.3 -0.435 89.9 6.4 -63.9 140.9 8.3 3.1 7.7 78 125 A G S S- 0 0 7 12,-0.3 12,-1.1 1,-0.2 -2,-0.2 -0.066 80.7-100.3 76.5-177.2 8.3 4.1 11.3 79 126 A S + 0 0 27 10,-0.2 -1,-0.2 4,-0.1 10,-0.1 -0.101 57.7 151.6-138.8 37.0 6.1 2.9 14.1 80 127 A S > - 0 0 48 -3,-0.3 4,-2.7 -33,-0.1 5,-0.2 -0.207 60.7-108.1 -64.1 161.3 3.4 5.6 14.4 81 128 A Q H > S+ 0 0 86 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.879 121.8 57.4 -59.0 -36.9 -0.0 4.6 15.8 82 129 A E H 4 S+ 0 0 63 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.928 110.4 42.8 -58.5 -46.2 -1.4 5.1 12.2 83 130 A V H >> S+ 0 0 11 1,-0.2 3,-1.6 2,-0.2 4,-1.1 0.931 112.4 51.8 -65.0 -47.8 1.1 2.5 10.9 84 131 A L H 3< S+ 0 0 7 -4,-2.7 26,-0.4 1,-0.3 -1,-0.2 0.705 102.9 60.5 -70.1 -15.8 0.6 0.0 13.8 85 132 A S T 3< S+ 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.690 116.3 31.6 -77.3 -18.6 -3.2 0.1 13.3 86 133 A K T <4 S- 0 0 106 -3,-1.6 2,-0.3 -4,-0.5 -2,-0.2 0.431 126.6 -45.7-122.5 -1.4 -2.7 -1.2 9.7 87 134 A G S < S- 0 0 0 -4,-1.1 23,-0.4 -14,-0.1 2,-0.3 -0.967 82.1 -29.2 168.9-154.0 0.3 -3.5 9.7 88 135 A A E -d 75 0B 0 -14,-2.8 -12,-2.7 -2,-0.3 2,-0.3 -0.663 49.2-153.0 -94.5 153.7 3.9 -3.8 10.8 89 136 A G E -dE 76 108B 0 19,-2.9 19,-2.8 -2,-0.3 2,-0.4 -0.808 13.9-124.4-118.7 163.8 6.3 -0.9 11.3 90 137 A H E - 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f 0 165B 7 61,-1.9 63,-2.5 -3,-0.7 2,-0.3 -0.970 32.8-179.3-128.8 148.6 23.0 -5.0 10.5 104 151 A H E - f 0 166B 1 -2,-0.3 -9,-1.9 61,-0.2 2,-0.3 -0.825 8.8-171.4-148.5 103.4 20.1 -5.4 12.9 105 152 A T E - f 0 167B 3 61,-1.9 63,-2.4 -2,-0.3 2,-0.5 -0.758 8.2-153.6 -95.4 145.8 16.7 -4.5 11.7 106 153 A V E - f 0 168B 0 -11,-0.4 -15,-2.5 -2,-0.3 2,-0.4 -0.986 8.7-172.3-124.8 123.2 13.7 -4.4 14.0 107 154 A I E -Ef 90 169B 0 61,-2.4 63,-2.4 -2,-0.5 2,-0.3 -0.943 12.7-170.8-113.7 135.6 10.1 -4.9 12.8 108 155 A T E +Ef 89 170B 0 -19,-2.8 -19,-2.9 -2,-0.4 2,-0.3 -0.932 15.3 166.6-134.0 147.9 7.2 -4.4 15.1 109 156 A A - 0 0 0 61,-1.6 63,-0.3 -2,-0.3 -21,-0.1 -0.980 40.2 -90.4-155.6 157.2 3.5 -4.9 15.3 110 157 A H - 0 0 39 -26,-0.4 9,-2.4 -23,-0.4 10,-0.3 -0.311 22.0-172.0 -71.9 147.7 0.9 -4.8 18.1 111 158 A S S S+ 0 0 2 8,-0.2 -1,-0.1 7,-0.2 60,-0.0 0.451 81.6 52.4-106.7 -9.5 -0.1 -7.8 20.2 112 159 A G + 0 0 13 63,-0.1 -1,-0.1 2,-0.1 5,-0.1 -0.039 66.1 117.6-128.4 31.7 -3.1 -6.2 21.9 113 160 A I > - 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