==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-11 3RBJ . COMPND 2 MOLECULE: SORTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR B.KHARE,S.V.L.NARAYANA . 379 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 24.0 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 . 1 0.3 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 . 1 0.3 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 2 5 0 2 2 0 1 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 1 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 5 A N > 0 0 79 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-119.0 -10.2 16.1 8.2 2 6 A I H >> + 0 0 27 1,-0.2 4,-2.5 2,-0.2 3,-1.7 0.915 360.0 54.7 -53.4 -47.7 -6.6 16.2 7.2 3 7 A N H 3> S+ 0 0 104 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.886 104.2 53.6 -54.4 -42.7 -5.5 15.5 10.7 4 8 A A H 34 S+ 0 0 41 -3,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.614 112.6 47.7 -68.9 -11.4 -7.7 12.4 10.8 5 9 A F H 4 S+ 0 0 13 -4,-0.3 3,-1.3 -5,-0.3 4,-0.3 0.924 109.3 48.5 -63.4 -46.3 -4.8 7.4 10.4 9 13 A V H >< S+ 0 0 21 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.864 103.0 62.9 -62.4 -37.1 -2.2 6.6 7.8 10 14 A T T 3< S+ 0 0 119 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.655 99.4 55.5 -62.9 -13.9 0.5 6.5 10.4 11 15 A K T < S+ 0 0 179 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.3 0.520 88.8 93.2 -97.3 -5.6 -1.3 3.6 12.1 12 16 A I S < S- 0 0 45 -3,-1.7 -3,-0.0 -4,-0.3 -4,-0.0 -0.759 78.6-118.3 -95.1 129.2 -1.3 1.4 8.9 13 17 A D >> - 0 0 112 -2,-0.4 4,-2.1 1,-0.1 3,-0.8 -0.212 22.7-111.2 -66.9 156.5 1.6 -1.1 8.3 14 18 A R H 3> S+ 0 0 175 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.893 115.4 56.2 -50.9 -51.6 4.0 -0.8 5.4 15 19 A V H 3> S+ 0 0 93 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.799 109.4 46.5 -53.3 -36.0 2.6 -4.0 3.7 16 20 A E H <> S+ 0 0 55 -3,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.944 112.7 47.8 -76.3 -51.6 -1.0 -2.7 3.7 17 21 A I H X S+ 0 0 22 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.941 113.0 50.9 -45.7 -53.8 0.0 0.7 2.3 18 22 A N H X S+ 0 0 69 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.929 110.1 48.5 -52.4 -52.0 2.1 -1.1 -0.3 19 23 A R H X S+ 0 0 121 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.881 112.8 48.3 -56.1 -45.9 -0.8 -3.3 -1.3 20 24 A R H X S+ 0 0 41 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.928 111.2 48.2 -67.4 -44.6 -3.1 -0.3 -1.6 21 25 A L H X S+ 0 0 16 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.982 108.0 56.3 -56.8 -49.6 -0.7 1.8 -3.7 22 26 A E H X S+ 0 0 124 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.890 105.3 51.9 -52.8 -42.7 -0.2 -1.2 -6.0 23 27 A L H X S+ 0 0 86 -4,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.963 112.9 45.2 -53.6 -53.8 -4.0 -1.4 -6.6 24 28 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 69,-0.3 0.824 109.7 54.2 -59.6 -39.6 -4.0 2.3 -7.5 25 29 A Y H X S+ 0 0 93 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.897 110.9 47.0 -61.0 -40.0 -0.8 2.0 -9.8 26 30 A A H X S+ 0 0 60 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.873 110.0 52.6 -69.1 -38.1 -2.7 -0.8 -11.6 27 31 A Y H X S+ 0 0 56 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.913 110.7 48.0 -63.4 -42.1 -5.8 1.3 -11.9 28 32 A N H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.889 108.6 53.3 -68.9 -39.1 -3.7 4.2 -13.4 29 33 A A H X S+ 0 0 63 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.954 106.4 53.7 -63.2 -41.7 -2.1 1.9 -15.8 30 34 A S H X S+ 0 0 81 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.894 110.9 46.7 -54.5 -46.3 -5.6 0.7 -17.0 31 35 A I H X S+ 0 0 35 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.902 115.0 44.5 -65.5 -47.0 -6.6 4.3 -17.7 32 36 A A H X S+ 0 0 7 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.854 113.5 52.5 -63.2 -34.8 -3.4 5.2 -19.5 33 37 A G H X S+ 0 0 41 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.823 106.7 50.6 -75.7 -34.4 -3.6 1.9 -21.5 34 38 A A H <>S+ 0 0 28 -4,-1.9 5,-2.2 -5,-0.2 3,-0.3 0.854 108.2 55.0 -64.6 -37.4 -7.2 2.5 -22.6 35 39 A K H ><5S+ 0 0 77 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.858 105.8 51.0 -65.3 -35.9 -6.0 6.0 -23.8 36 40 A T H 3<5S+ 0 0 97 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.711 102.9 60.9 -74.5 -20.9 -3.3 4.4 -25.9 37 41 A N T 3<5S- 0 0 119 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.329 120.5-107.4 -87.6 7.2 -5.9 2.1 -27.5 38 42 A G T < 5 + 0 0 60 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.657 69.4 153.7 75.6 16.4 -7.8 5.1 -28.9 39 43 A E < - 0 0 104 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.0 -0.431 47.4-108.8 -77.8 152.4 -10.5 4.5 -26.3 40 44 A Y - 0 0 221 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.623 26.4-126.8 -84.0 138.3 -12.7 7.3 -25.1 41 45 A P - 0 0 36 0, 0.0 2,-1.1 0, 0.0 50,-0.0 -0.762 14.8-142.3 -88.8 117.9 -12.3 8.6 -21.5 42 46 A A 0 0 90 -2,-0.6 49,-0.0 1,-0.1 -2,-0.0 -0.678 360.0 360.0 -82.6 99.9 -15.5 8.7 -19.5 43 47 A L 0 0 67 -2,-1.1 47,-0.2 47,-0.1 -1,-0.1 -0.692 360.0 360.0-105.2 360.0 -15.3 11.8 -17.4 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 60 A V 0 0 179 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 24.2 -22.2 5.0 -4.1 46 61 A V - 0 0 91 28,-0.1 3,-0.2 3,-0.0 2,-0.2 -0.991 360.0-157.6-158.1 148.2 -19.0 3.8 -5.6 47 62 A E > + 0 0 119 -2,-0.3 3,-0.7 1,-0.2 4,-0.2 -0.512 39.6 136.8-125.2 57.9 -15.5 2.9 -4.7 48 63 A Y T 3 S+ 0 0 27 -2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.867 91.2 35.2 -68.3 -33.4 -13.2 3.3 -7.6 49 64 A A T >> S+ 0 0 0 -3,-0.2 3,-1.8 1,-0.2 4,-0.6 0.054 79.7 123.7-110.0 28.9 -10.7 4.8 -5.2 50 65 A R G X4 + 0 0 166 -3,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.893 66.9 63.0 -54.1 -46.1 -11.5 2.7 -2.2 51 66 A M G 34 S+ 0 0 24 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.694 105.4 46.4 -52.4 -22.9 -7.9 1.6 -1.9 52 67 A L G <4 S+ 0 0 1 -3,-1.8 2,-0.3 -32,-0.0 81,-0.3 0.545 86.3 113.7-100.8 -8.0 -6.8 5.2 -1.2 53 68 A E << + 0 0 53 -3,-1.6 2,-0.4 -4,-0.6 5,-0.2 -0.529 31.7 171.1 -79.5 126.9 -9.5 6.2 1.3 54 69 A V B > S-A 57 0A 9 3,-2.2 3,-1.1 -2,-0.3 5,-0.1 -0.964 82.2 -13.4-128.9 109.6 -8.6 6.9 4.9 55 70 A K T 3 S- 0 0 141 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.906 130.8 -54.0 60.5 44.6 -11.4 8.4 6.9 56 71 A E T 3 S+ 0 0 118 1,-0.2 18,-0.4 -6,-0.1 -1,-0.2 0.295 119.7 104.7 76.1 -3.8 -13.3 9.0 3.7 57 72 A Q B < -A 54 0A 4 -3,-1.1 -3,-2.2 16,-0.1 16,-0.2 -0.693 55.3-158.8-107.4 156.4 -10.5 11.0 2.1 58 73 A I - 0 0 0 14,-3.0 75,-0.4 1,-0.4 2,-0.3 0.464 69.2 -58.3-112.1 1.0 -8.0 10.1 -0.6 59 74 A G E -B 72 0B 0 13,-0.6 13,-3.6 73,-0.2 -1,-0.4 -0.933 54.4 -99.3 152.3-171.9 -5.3 12.7 0.3 60 75 A H E -BC 71 131B 0 71,-1.9 71,-2.5 11,-0.3 2,-0.5 -0.971 20.3-134.2-141.6 153.7 -5.0 16.5 0.6 61 76 A V E -BC 70 130B 0 9,-3.0 9,-2.5 -2,-0.3 2,-0.3 -0.965 15.0-162.8-114.6 125.9 -3.7 19.1 -1.7 62 77 A I E +BC 69 129B 25 67,-2.4 67,-2.0 -2,-0.5 7,-0.2 -0.812 9.5 178.4-105.6 142.4 -1.3 21.9 -0.3 63 78 A I E > > -B 68 0B 0 5,-1.9 5,-1.5 -2,-0.3 3,-1.0 -0.713 6.8-173.2-147.0 85.0 -0.8 25.1 -2.4 64 79 A P G > 5S+ 0 0 71 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.874 79.1 68.2 -56.6 -39.1 1.5 27.5 -0.6 65 80 A R G 3 5S+ 0 0 137 62,-0.5 63,-0.1 1,-0.3 -2,-0.0 0.882 116.7 26.3 -46.8 -43.2 1.0 30.3 -3.1 66 81 A I G < 5S- 0 0 15 -3,-1.0 -1,-0.3 2,-0.1 52,-0.1 0.119 108.0-117.4-111.6 26.5 -2.6 30.7 -1.9 67 82 A N T < 5 + 0 0 151 -3,-2.0 2,-0.5 -4,-0.2 -2,-0.1 0.797 64.2 144.4 50.8 36.2 -2.3 29.3 1.6 68 83 A Q E < +B 63 0B 46 -5,-1.5 -5,-1.9 46,-0.1 2,-0.4 -0.923 27.9 173.4-112.5 130.5 -4.6 26.3 1.0 69 84 A D E +B 62 0B 70 -2,-0.5 -7,-0.2 -7,-0.2 -67,-0.1 -0.903 23.7 170.5-129.5 107.5 -4.4 22.9 2.5 70 85 A I E -B 61 0B 6 -9,-2.5 -9,-3.0 -2,-0.4 14,-0.1 -0.941 32.9-115.6-129.6 135.8 -7.5 20.9 1.5 71 86 A P E -B 60 0B 11 0, 0.0 14,-2.5 0, 0.0 2,-0.5 -0.373 27.0-134.9 -69.1 139.5 -8.7 17.2 1.7 72 87 A I E -Bd 59 85B 0 -13,-3.6 -14,-3.0 12,-0.2 -13,-0.6 -0.803 18.5-164.6 -94.2 126.6 -9.4 15.3 -1.6 73 88 A Y E - d 0 86B 14 12,-3.5 14,-2.6 -2,-0.5 2,-0.3 -0.849 27.3-106.6-107.3 149.8 -12.6 13.2 -1.9 74 89 A A E S+ d 0 87B 18 -18,-0.4 3,-0.3 -2,-0.3 14,-0.1 -0.569 84.9 16.9 -65.1 133.3 -13.3 10.5 -4.5 75 90 A G S S- 0 0 13 12,-1.0 12,-0.5 -2,-0.3 -2,-0.2 0.221 82.9 -97.2 88.1 153.6 -15.7 11.7 -7.2 76 91 A S + 0 0 47 10,-0.2 2,-0.4 4,-0.1 -1,-0.1 -0.169 65.7 148.8 -97.8 39.4 -17.1 15.1 -8.3 77 92 A A >> - 0 0 49 -3,-0.3 3,-3.5 1,-0.1 4,-1.8 -0.623 55.3-123.7 -83.8 129.6 -20.3 14.9 -6.1 78 93 A E H 3> S+ 0 0 112 -2,-0.4 4,-0.9 1,-0.3 -1,-0.1 0.784 109.6 57.6 -38.0 -50.2 -21.8 18.2 -4.8 79 94 A E H 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.670 111.5 43.2 -60.1 -21.2 -21.7 17.0 -1.2 80 95 A N H X> S+ 0 0 22 -3,-3.5 3,-2.1 2,-0.2 4,-2.0 0.856 105.8 59.8 -83.4 -48.6 -17.9 16.4 -1.5 81 96 A L H 3< S+ 0 0 15 -4,-1.8 26,-0.5 1,-0.3 -2,-0.2 0.648 99.5 63.6 -55.1 -12.0 -17.3 19.6 -3.4 82 97 A Q T 3< S+ 0 0 85 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.761 110.7 31.7 -84.7 -27.0 -18.7 21.2 -0.2 83 98 A R T <4 S- 0 0 113 -3,-2.1 2,-0.2 -4,-0.2 -2,-0.2 0.659 128.7 -50.8-106.0 -22.0 -16.0 20.1 2.1 84 99 A G S < S- 0 0 0 -4,-2.0 2,-0.3 -14,-0.1 23,-0.3 -0.784 86.4 -8.3-172.1-135.6 -13.0 20.0 -0.2 85 100 A V E -d 72 0B 0 -14,-2.5 -12,-3.5 -2,-0.2 2,-0.6 -0.654 47.6-144.3 -90.7 139.2 -11.6 18.9 -3.5 86 101 A G E -dE 73 105B 0 19,-2.1 19,-3.5 -2,-0.3 2,-0.4 -0.906 10.8-142.2-100.5 125.9 -13.3 16.4 -5.9 87 102 A H E -dE 74 104B 0 -14,-2.6 -12,-1.0 -2,-0.6 2,-0.6 -0.756 27.0-117.9 -84.6 134.2 -11.2 14.0 -7.8 88 103 A L > - 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