==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-DEC-12 4I82 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.B.KHANDOKAR,J.K.FORWOOD . 242 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 42.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 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 . 3 0 0 1 1 0 2 2 2 2 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 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 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 H 0 0 218 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 34.9 31.6 33.2 2 6 A F - 0 0 140 31,-0.0 2,-0.2 32,-0.0 31,-0.0 -0.967 360.0-103.3-151.6 156.8 33.7 31.2 29.6 3 7 A D - 0 0 121 -2,-0.3 31,-0.0 1,-0.1 0, 0.0 -0.487 46.0 -85.5 -86.7 157.0 31.4 33.0 27.1 4 8 A A - 0 0 89 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.223 39.2-129.6 -57.6 147.6 27.8 32.1 26.2 5 9 A I - 0 0 69 26,-0.1 2,-0.3 2,-0.0 26,-0.2 -0.880 28.8-175.2-107.1 135.6 27.2 29.6 23.4 6 10 A S - 0 0 50 24,-2.8 2,-0.4 -2,-0.4 3,-0.1 -0.879 13.4-160.4-136.5 158.3 24.8 30.4 20.6 7 11 A A + 0 0 27 -2,-0.3 36,-0.0 1,-0.1 20,-0.0 -0.996 67.3 16.7-147.2 131.7 23.2 28.8 17.5 8 12 A F + 0 0 42 -2,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.872 55.3 148.1 74.6 40.7 21.6 30.2 14.4 9 13 A E S S+ 0 0 123 1,-0.2 2,-0.3 17,-0.1 18,-0.1 0.744 85.2 14.4 -64.6 -27.1 22.7 33.8 14.4 10 14 A N S S+ 0 0 50 16,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.976 77.0 150.7-141.9 156.9 22.5 33.2 10.6 11 15 A Y - 0 0 138 -2,-0.3 2,-0.3 14,-0.1 14,-0.2 -0.960 29.1-144.4-170.2 161.6 21.0 30.6 8.3 12 16 A E E -A 24 0A 117 12,-1.4 12,-2.4 -2,-0.3 2,-1.0 -0.985 15.7-147.4-128.1 130.3 19.4 29.7 4.9 13 17 A I E +A 23 0A 64 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.851 20.3 177.0 -90.0 102.1 16.6 27.1 4.5 14 18 A E E + 0 0 131 -2,-1.0 2,-0.3 8,-0.9 -1,-0.2 0.896 66.7 4.7 -73.3 -43.4 17.4 25.6 1.1 15 19 A K E +A 22 0A 56 7,-1.4 7,-1.7 2,-0.0 -1,-0.2 -0.992 49.5 173.8-140.5 146.2 14.6 23.0 1.2 16 20 A M E +A 21 0A 73 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.365 35.2 137.7-148.1 68.0 11.7 22.1 3.6 17 21 A R E > -A 20 0A 159 3,-1.9 3,-3.1 1,-0.1 41,-0.1 -0.936 66.7 -34.1-125.1 132.3 9.6 19.4 1.9 18 22 A D T 3 S- 0 0 140 39,-0.5 40,-0.2 -2,-0.4 -1,-0.1 0.716 126.9 -31.3 30.1 65.6 7.8 16.1 3.0 19 23 A G T 3 S+ 0 0 7 35,-0.4 68,-1.3 34,-0.2 2,-0.5 0.618 117.3 110.2 72.0 12.5 10.3 15.0 5.7 20 24 A H E < +AB 17 86A 59 -3,-3.1 -3,-1.9 66,-0.2 2,-0.4 -0.970 39.2 172.3-125.0 128.7 13.3 16.5 3.9 21 25 A V E -AB 16 85A 0 64,-2.5 64,-2.4 -2,-0.5 2,-0.4 -0.992 12.6-178.2-131.5 132.5 15.3 19.6 5.1 22 26 A V E +AB 15 84A 16 -7,-1.7 -7,-1.4 -2,-0.4 -8,-0.9 -0.988 14.1 168.7-123.2 138.1 18.4 21.3 4.0 23 27 A V E -AB 13 83A 0 60,-1.7 60,-3.2 -2,-0.4 -10,-0.2 -0.968 14.2-159.6-150.9 131.5 19.8 24.3 6.0 24 28 A T E +AB 12 82A 24 -12,-2.4 -12,-1.4 -2,-0.3 2,-0.3 -0.662 11.7 176.3-110.6 167.1 23.1 26.1 5.8 25 29 A T E - B 0 81A 5 56,-1.4 56,-3.3 -2,-0.2 2,-0.6 -0.953 28.7-120.3-171.3 148.2 24.9 28.4 8.3 26 30 A K E - B 0 80A 82 -2,-0.3 54,-0.2 54,-0.2 -17,-0.1 -0.878 29.4-127.6-103.5 115.7 28.1 30.3 8.8 27 31 A V + 0 0 0 52,-2.9 51,-1.3 -2,-0.6 2,-0.2 -0.426 39.7 173.2 -57.8 133.5 30.1 29.4 11.9 28 32 A V > - 0 0 30 49,-0.2 3,-0.7 50,-0.1 4,-0.2 -0.503 45.5 -77.7-129.1-162.5 30.8 32.6 13.8 29 33 A N G > S+ 0 0 115 1,-0.2 3,-1.5 -2,-0.2 7,-0.1 0.872 122.6 55.5 -80.0 -35.6 32.4 33.5 17.2 30 34 A S G 3 S+ 0 0 31 1,-0.3 -24,-2.8 -25,-0.1 -1,-0.2 0.432 99.8 66.7 -74.8 -1.3 29.5 32.6 19.6 31 35 A S G < S+ 0 0 3 -3,-0.7 8,-3.2 -26,-0.2 -1,-0.3 0.598 90.7 91.8 -83.6 -16.2 29.5 29.2 18.0 32 36 A L B < -F 38 0B 27 -3,-1.5 6,-0.2 6,-0.3 2,-0.1 -0.356 60.9-145.6 -95.0 159.0 33.0 28.4 19.4 33 37 A N > - 0 0 40 4,-2.5 3,-1.4 -2,-0.1 -1,-0.1 -0.255 50.0 -79.8 -98.5-165.3 34.6 26.8 22.5 34 38 A Y T 3 S+ 0 0 173 1,-0.3 -2,-0.0 2,-0.1 5,-0.0 0.630 129.9 57.8 -78.6 -14.1 37.8 27.8 24.3 35 39 A Y T 3 S- 0 0 184 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.328 118.2-110.8 -92.4 5.2 39.9 25.9 21.7 36 40 A G S < S+ 0 0 36 -3,-1.4 41,-0.6 1,-0.3 2,-0.3 0.671 79.6 127.3 70.5 18.5 38.4 28.1 18.9 37 41 A N B S-G 76 0C 64 39,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.746 75.4 -86.7-105.7 153.1 36.5 25.1 17.6 38 42 A A B -F 32 0B 9 37,-2.2 37,-0.3 -2,-0.3 -6,-0.3 -0.416 56.3-109.9 -63.9 125.5 32.8 24.9 16.9 39 43 A H > - 0 0 47 -8,-3.2 4,-2.0 -2,-0.2 5,-0.2 -0.224 12.9-129.7 -62.4 141.3 31.1 23.9 20.2 40 44 A G H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.882 111.3 51.5 -54.4 -44.1 29.6 20.4 20.6 41 45 A G H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.831 107.6 55.5 -61.0 -35.6 26.4 21.9 21.9 42 46 A Y H > S+ 0 0 4 -11,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 109.9 42.0 -64.5 -46.7 26.3 24.2 18.9 43 47 A L H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.947 114.2 53.9 -69.9 -41.5 26.5 21.4 16.3 44 48 A F H X S+ 0 0 64 -4,-2.5 4,-3.4 -5,-0.2 -2,-0.2 0.915 108.8 49.2 -53.7 -44.9 24.0 19.4 18.3 45 49 A T H X S+ 0 0 59 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.876 107.3 53.8 -64.8 -40.1 21.6 22.4 18.3 46 50 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.928 115.1 42.3 -55.4 -40.9 22.0 22.8 14.5 47 51 A C H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.939 112.8 51.0 -74.0 -50.0 21.0 19.1 14.3 48 52 A D H X S+ 0 0 51 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.850 111.0 48.8 -54.8 -40.3 18.2 19.2 16.8 49 53 A Q H X S+ 0 0 90 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.930 109.9 50.5 -71.2 -44.3 16.5 22.2 15.2 50 54 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.777 108.2 53.4 -65.4 -27.2 16.7 20.6 11.7 51 55 A S H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.896 107.3 51.3 -69.0 -41.5 15.1 17.5 13.1 52 56 A G H X S+ 0 0 22 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.816 111.8 48.4 -58.4 -32.9 12.4 19.7 14.5 53 57 A L H X S+ 0 0 18 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.890 105.6 55.6 -76.4 -40.9 12.1 21.1 10.9 54 58 A V H < S+ 0 0 0 -4,-2.4 -35,-0.4 1,-0.2 -2,-0.2 0.863 111.2 47.5 -54.7 -35.5 12.0 17.6 9.3 55 59 A V H <>S+ 0 0 9 -4,-1.7 5,-1.6 2,-0.2 3,-0.4 0.781 109.4 50.7 -77.2 -35.3 9.0 16.9 11.6 56 60 A I H ><5S+ 0 0 91 -4,-1.1 3,-1.5 1,-0.2 -2,-0.2 0.906 102.7 60.2 -71.9 -43.0 7.2 20.1 10.8 57 61 A S T 3<5S+ 0 0 22 -4,-2.4 -39,-0.5 1,-0.3 -1,-0.2 0.627 100.4 59.1 -56.2 -16.6 7.5 19.5 7.0 58 62 A L T 3 5S- 0 0 36 -3,-0.4 -1,-0.3 -40,-0.2 -2,-0.1 -0.114 119.4-109.2-104.7 31.6 5.5 16.3 7.7 59 63 A G T < 5S+ 0 0 49 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.653 82.1 121.7 53.4 20.7 2.5 18.2 9.1 60 64 A L < - 0 0 16 -5,-1.6 2,-0.3 61,-0.3 61,-0.2 -0.745 52.9-149.1-118.1 157.3 3.4 16.8 12.6 61 65 A D E +C 120 0A 91 59,-1.5 58,-2.3 -2,-0.3 59,-1.3 -0.876 29.9 150.0-118.0 156.2 4.3 18.0 16.0 62 66 A G E -C 118 0A 33 -2,-0.3 2,-0.3 56,-0.3 56,-0.2 -0.969 35.9-130.6-177.7 161.8 6.6 16.2 18.4 63 67 A V E -C 117 0A 81 54,-2.3 54,-3.2 -2,-0.3 2,-0.3 -0.935 35.9-109.1-123.2 143.0 9.1 16.3 21.3 64 68 A T E +C 116 0A 55 -2,-0.3 52,-0.2 52,-0.2 3,-0.1 -0.572 29.2 178.1 -78.4 131.9 12.4 14.5 21.3 65 69 A L E + 0 0 106 50,-2.6 2,-0.3 1,-0.3 51,-0.2 0.736 69.6 2.0 -95.3 -37.6 12.8 11.5 23.7 66 70 A Q E -C 115 0A 91 49,-1.6 49,-3.4 2,-0.0 2,-0.4 -0.993 56.7-172.3-155.3 141.6 16.4 10.6 22.8 67 71 A S E -C 114 0A 28 -2,-0.3 2,-0.3 47,-0.2 47,-0.2 -0.997 3.8-168.6-139.3 143.9 19.3 11.6 20.7 68 72 A S E -C 113 0A 23 45,-1.9 45,-2.5 -2,-0.4 2,-0.3 -0.921 13.5-178.2-116.1 145.7 22.7 10.2 19.8 69 73 A I E -C 112 0A 39 -2,-0.3 2,-0.4 43,-0.2 43,-0.3 -0.989 14.4-157.8-147.1 136.9 25.5 12.2 18.0 70 74 A N E -C 111 0A 20 41,-2.9 41,-2.5 -2,-0.3 2,-0.5 -0.978 15.1-141.7-114.6 134.1 29.0 11.4 16.7 71 75 A Y E +C 110 0A 116 -2,-0.4 39,-0.2 39,-0.2 3,-0.1 -0.846 27.5 165.4 -96.5 121.3 31.6 14.2 16.1 72 76 A L + 0 0 21 37,-2.5 2,-0.3 -2,-0.5 38,-0.2 0.893 60.9 6.1-105.4 -58.4 33.7 13.6 13.0 73 77 A K S S- 0 0 69 36,-1.3 -1,-0.4 35,-0.1 2,-0.1 -0.935 79.7-102.7-129.7 152.7 35.6 16.8 12.1 74 78 A A - 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