==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-AUG-11 3TBE . COMPND 2 MOLECULE: SORTASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR B.KHARE . 1150 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 778 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 279 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 16 1.4 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 . 10 0.9 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 . 98 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 3 0 1 2 2 0 1 0 0 0 0 2 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 0 1 5 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 . 14 6 9 1 5 6 0 6 6 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 1 2 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 3 A H 0 0 133 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 164.9 41.7 -3.2 -0.8 2 4 A A > + 0 0 77 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.766 360.0 65.1 -74.3 -32.8 44.5 -1.4 -2.6 3 5 A N T 4 S+ 0 0 55 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.698 101.3 48.9 -59.3 -24.7 42.1 1.6 -2.4 4 6 A I T > S+ 0 0 10 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.622 101.8 57.9 -98.6 -15.0 42.4 1.7 1.4 5 7 A N H > S+ 0 0 111 -4,-0.5 4,-3.3 -3,-0.5 5,-0.2 0.879 105.1 54.3 -71.9 -39.3 46.2 1.5 1.8 6 8 A A H X S+ 0 0 35 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.802 110.9 46.4 -59.3 -33.5 46.2 4.6 -0.3 7 9 A F H > S+ 0 0 1 -4,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.946 113.6 46.6 -70.9 -53.8 43.8 6.1 2.3 8 10 A K H X S+ 0 0 38 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.916 115.4 47.6 -54.3 -48.3 45.9 4.9 5.3 9 11 A E H >X S+ 0 0 123 -4,-3.3 4,-0.9 1,-0.2 3,-0.5 0.929 111.2 48.4 -58.6 -54.4 49.1 6.2 3.7 10 12 A A H 3< S+ 0 0 9 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.758 104.3 61.6 -63.3 -26.3 47.8 9.6 2.8 11 13 A V H >< S+ 0 0 27 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 0.925 100.0 52.8 -66.5 -41.2 46.4 10.2 6.2 12 14 A T H << S+ 0 0 110 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.754 100.9 63.4 -69.0 -23.5 49.8 9.9 7.9 13 15 A K T 3< S+ 0 0 139 -4,-0.9 2,-0.5 -3,-0.1 -1,-0.3 0.251 87.2 97.2 -81.4 12.9 51.0 12.6 5.5 14 16 A I S < S- 0 0 36 -3,-1.7 5,-0.0 119,-0.1 -3,-0.0 -0.918 76.7-120.6-114.3 124.7 48.6 15.2 7.0 15 17 A D > - 0 0 114 -2,-0.5 4,-2.6 1,-0.1 5,-0.1 -0.157 21.3-129.9 -47.2 142.9 49.4 17.8 9.6 16 18 A R H > S+ 0 0 170 2,-0.2 4,-4.4 1,-0.2 5,-0.3 0.903 107.6 62.3 -68.0 -39.6 47.2 17.4 12.7 17 19 A V H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 110.1 42.3 -47.4 -46.0 46.3 21.1 12.6 18 20 A E H > S+ 0 0 64 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.971 112.3 51.6 -66.7 -54.7 44.7 20.3 9.3 19 21 A I H X S+ 0 0 23 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.921 111.8 49.5 -49.1 -44.9 43.2 17.0 10.4 20 22 A N H X S+ 0 0 74 -4,-4.4 4,-3.0 2,-0.2 -1,-0.2 0.927 108.9 50.5 -58.8 -47.2 41.6 18.9 13.3 21 23 A R H X S+ 0 0 143 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.950 111.3 49.5 -58.3 -48.9 40.3 21.7 11.1 22 24 A R H X S+ 0 0 43 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.884 111.3 48.3 -57.2 -41.3 38.7 19.1 8.8 23 25 A L H X S+ 0 0 14 -4,-2.4 4,-3.0 -5,-0.3 5,-0.3 0.912 105.9 57.7 -67.9 -37.0 37.1 17.3 11.8 24 26 A E H X S+ 0 0 122 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.903 107.1 49.4 -59.3 -37.6 35.8 20.5 13.2 25 27 A L H X S+ 0 0 99 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.957 109.8 50.5 -63.8 -52.1 34.0 21.0 9.8 26 28 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 67,-0.3 0.924 111.7 47.4 -49.4 -53.2 32.6 17.4 10.0 27 29 A Y H X S+ 0 0 93 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.897 111.4 51.1 -56.0 -40.9 31.3 18.0 13.7 28 30 A A H >< S+ 0 0 70 -4,-2.0 3,-0.7 -5,-0.3 -1,-0.2 0.874 109.0 50.2 -69.4 -36.1 29.7 21.3 12.7 29 31 A Y H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 100.8 66.3 -65.8 -38.6 28.0 19.7 9.8 30 32 A N H 3< S+ 0 0 5 -4,-2.4 2,-2.1 1,-0.3 3,-0.5 0.671 73.3 87.9 -66.0 -17.1 26.7 17.0 12.2 31 33 A A << + 0 0 73 -4,-0.8 -1,-0.3 -3,-0.7 -3,-0.1 -0.434 52.6 106.4 -70.5 57.4 24.7 19.6 14.0 32 34 A S > + 0 0 51 -2,-2.1 3,-0.7 3,-0.1 -1,-0.3 -0.094 52.5 95.1-108.6 15.1 22.1 18.6 11.3 33 35 A I T 3 S+ 0 0 53 -3,-0.5 -2,-0.1 1,-0.2 126,-0.1 0.772 74.8 60.8 -65.5 -29.2 20.7 17.1 14.5 34 36 A A T 3 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 -0.068 360.0 360.0 -98.3 32.4 18.6 20.2 14.8 35 37 A G < 0 0 105 -3,-0.7 -3,-0.1 -2,-0.0 0, 0.0 -0.613 360.0 360.0 -95.4 360.0 16.6 19.9 11.6 36 ! 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 37 45 A P 0 0 168 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.4 15.0 17.3 5.8 38 46 A A - 0 0 66 52,-0.1 2,-0.2 1,-0.0 0, 0.0 0.888 360.0-132.2 62.0 113.4 13.8 14.0 4.1 39 47 A L - 0 0 13 51,-0.1 2,-0.6 113,-0.0 51,-0.1 -0.595 14.1-134.4 -87.6 154.1 16.2 11.2 3.2 40 48 A K - 0 0 159 49,-0.4 49,-0.1 -2,-0.2 4,-0.1 -0.944 24.5-115.4-112.4 109.5 16.0 9.6 -0.2 41 49 A D - 0 0 29 -2,-0.6 111,-0.0 1,-0.2 109,-0.0 -0.221 33.4-129.1 -37.8 117.3 16.1 5.8 -0.2 42 50 A P S S+ 0 0 21 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.446 89.7 72.2 -69.3 -1.0 19.5 5.5 -2.1 43 51 A Y 0 0 42 1,-0.1 -2,-0.1 106,-0.1 0, 0.0 -0.913 360.0 360.0-119.4 99.1 18.1 3.1 -4.7 44 52 A S 0 0 161 -2,-0.6 -1,-0.1 -4,-0.1 -3,-0.0 0.305 360.0 360.0-175.6 360.0 15.7 4.7 -7.3 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 61 A V 0 0 131 0, 0.0 4,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -55.3 27.6 17.1 -4.2 47 62 A E > + 0 0 156 1,-0.1 3,-1.6 2,-0.1 4,-0.2 0.515 360.0 133.7 52.9 13.2 30.9 17.8 -2.2 48 63 A Y T 3 S+ 0 0 22 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.769 76.2 39.6 -62.4 -29.9 29.1 17.8 1.2 49 64 A A T >> S+ 0 0 0 1,-0.2 3,-1.1 2,-0.1 4,-0.6 -0.051 75.6 124.6-109.7 29.9 31.7 15.6 2.8 50 65 A R G X4 + 0 0 183 -3,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.894 65.7 63.6 -62.7 -39.5 34.8 17.1 1.2 51 66 A M G 34 S+ 0 0 25 1,-0.3 -1,-0.3 -3,-0.2 -29,-0.1 0.795 109.0 42.2 -49.9 -31.4 36.5 17.8 4.6 52 67 A L G <4 S+ 0 0 0 -3,-1.1 2,-0.5 -30,-0.1 81,-0.3 0.557 89.2 113.5 -94.2 -10.7 36.6 14.1 5.2 53 68 A E << + 0 0 58 -3,-1.8 2,-0.4 -4,-0.6 5,-0.2 -0.513 33.6 165.1 -78.9 117.8 37.7 13.1 1.7 54 69 A V B > S-A 57 0A 10 3,-2.8 3,-1.8 -2,-0.5 5,-0.1 -0.993 75.7 -12.2-133.3 123.7 41.1 11.6 1.3 55 70 A K T 3 S- 0 0 128 -2,-0.4 -1,-0.1 1,-0.3 -48,-0.1 0.887 131.0 -54.3 47.4 45.0 42.1 9.8 -1.9 56 71 A E T 3 S+ 0 0 117 1,-0.2 2,-0.3 -49,-0.0 18,-0.3 0.370 121.0 97.5 81.2 -0.9 38.4 9.9 -2.9 57 72 A Q B < -A 54 0A 2 -3,-1.8 -3,-2.8 16,-0.1 16,-0.2 -0.881 60.0-153.7-128.9 146.5 37.2 8.2 0.3 58 73 A I S S- 0 0 1 14,-3.1 75,-0.5 -2,-0.3 2,-0.3 0.685 74.6 -63.8 -94.6 -15.9 35.7 9.3 3.7 59 74 A G E -B 72 0B 1 13,-0.9 13,-2.9 73,-0.2 2,-0.3 -0.973 53.2 -91.6 173.4-156.9 37.1 6.3 5.5 60 75 A H E -BC 71 131B 11 71,-1.9 71,-2.8 11,-0.3 2,-0.4 -0.972 24.7-138.4-136.4 158.9 36.7 2.5 5.6 61 76 A V E -BC 70 130B 0 9,-2.6 9,-2.3 -2,-0.3 2,-0.6 -0.940 11.5-155.1-114.3 136.0 34.4 0.3 7.6 62 77 A I E -BC 69 129B 33 67,-3.3 67,-2.2 -2,-0.4 7,-0.2 -0.945 12.0-179.9-116.2 120.1 35.5 -3.0 9.2 63 78 A I E > > -B 68 0B 1 5,-2.1 3,-1.7 -2,-0.6 5,-0.5 -0.738 3.9-174.2-118.3 86.4 33.0 -5.7 9.9 64 79 A P G > 5S+ 0 0 37 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.850 76.9 63.9 -49.3 -49.8 34.9 -8.7 11.4 65 80 A R G 3 5S+ 0 0 137 62,-0.5 63,-0.1 1,-0.3 -2,-0.0 0.814 119.0 27.3 -46.2 -33.7 32.0 -11.2 11.6 66 81 A I G < 5S- 0 0 18 -3,-1.7 -1,-0.3 2,-0.1 52,-0.1 0.239 109.4-118.2-115.0 10.9 31.9 -11.1 7.8 67 82 A N T < 5 + 0 0 137 -3,-2.2 2,-0.4 -4,-0.4 -2,-0.1 0.958 59.8 144.1 46.7 70.5 35.5 -10.2 6.9 68 83 A Q E < +B 63 0B 37 -5,-0.5 -5,-2.1 2,-0.1 2,-0.4 -0.997 31.1 177.1-132.8 140.9 35.1 -7.0 5.2 69 84 A D E +B 62 0B 62 -2,-0.4 -7,-0.2 -7,-0.2 -65,-0.1 -0.903 27.2 175.7-130.8 108.4 37.1 -3.9 5.1 70 85 A I E -B 61 0B 5 -9,-2.3 -9,-2.6 -2,-0.4 14,-0.1 -0.954 29.2-120.5-123.7 133.0 35.4 -1.6 2.7 71 86 A P E -B 60 0B 2 0, 0.0 14,-2.5 0, 0.0 2,-0.5 -0.241 25.6-135.3 -61.6 157.1 36.1 2.0 1.7 72 87 A I E -Bd 59 85B 0 -13,-2.9 -14,-3.1 12,-0.2 -13,-0.9 -0.978 18.6-168.3-117.2 131.6 33.3 4.6 2.2 73 88 A Y E - d 0 86B 2 12,-3.3 14,-1.7 -2,-0.5 -16,-0.1 -0.880 26.9-108.8-111.6 147.5 32.4 7.1 -0.4 74 89 A A E S+ d 0 87B 11 -2,-0.3 3,-0.3 -18,-0.3 14,-0.1 -0.349 83.5 15.9 -66.3 157.3 30.2 10.2 0.0 75 90 A G B S-E 87 0B 8 12,-0.5 12,-1.1 1,-0.2 -2,-0.2 -0.071 85.4 -97.4 71.3-174.2 26.8 10.1 -1.7 76 91 A S + 0 0 34 10,-0.2 -1,-0.2 12,-0.1 10,-0.1 0.017 61.6 155.0-127.1 21.1 25.0 7.0 -3.0 77 92 A A >> - 0 0 36 -3,-0.3 4,-2.6 1,-0.1 3,-1.6 -0.289 49.7-129.4 -59.3 134.9 26.0 7.4 -6.6 78 93 A E H 3> S+ 0 0 110 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.824 106.4 66.0 -59.2 -35.5 25.9 4.1 -8.4 79 94 A E H 34 S+ 0 0 148 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.854 112.1 33.8 -47.8 -43.3 29.4 4.7 -9.7 80 95 A N H X> S+ 0 0 27 -3,-1.6 3,-1.9 1,-0.2 4,-1.0 0.835 107.5 64.9 -88.8 -40.4 30.6 4.5 -6.1 81 96 A L H 3< S+ 0 0 1 -4,-2.6 26,-0.4 1,-0.3 -1,-0.2 0.546 98.6 60.8 -58.1 -8.1 28.2 1.9 -5.0 82 97 A Q T 3< S+ 0 0 40 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.698 112.0 34.8 -86.9 -21.9 30.1 -0.3 -7.5 83 98 A R T <4 S- 0 0 95 -3,-1.9 2,-0.3 -4,-0.2 -2,-0.2 0.326 127.4 -47.6-116.6 5.0 33.4 0.0 -5.6 84 99 A G S < S- 0 0 0 -4,-1.0 2,-0.4 -14,-0.1 23,-0.3 -0.966 85.1 -18.1 167.2-145.2 32.4 0.1 -1.9 85 100 A V E -d 72 0B 0 -14,-2.5 -12,-3.3 -2,-0.3 2,-0.3 -0.781 49.3-149.4-100.4 135.6 30.1 1.6 0.6 86 101 A G E -dF 73 105B 0 19,-2.9 19,-2.8 -2,-0.4 2,-0.5 -0.755 12.7-129.2-100.5 152.6 28.1 4.8 0.1 87 102 A H E -dF 74 104B 0 -14,-1.7 2,-0.8 -12,-1.1 -12,-0.5 -0.887 24.4-120.1-103.5 129.2 27.1 7.3 2.8 88 103 A L > - 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