==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 08-JAN-10 3LBB . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN SMU.793; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-D.SU,Q.M.HOU,X.X.FAN,J.NAN,X.LIU . 248 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 78.2 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 . 118 47.6 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 12.9 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 0 2 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 . 4 0 1 0 3 0 2 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 4 A N 0 0 171 0, 0.0 3,-0.0 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 -54.9 57.3 -10.6 29.3 2 5 A H + 0 0 72 1,-0.1 2,-0.5 33,-0.0 33,-0.1 0.769 360.0 45.5 -79.1 -38.7 53.5 -10.9 30.1 3 6 A L S S+ 0 0 4 134,-0.0 2,-0.3 176,-0.0 -1,-0.1 -0.956 81.9 159.4 -99.3 135.2 53.9 -10.7 33.9 4 7 A H - 0 0 42 -2,-0.5 131,-0.1 132,-0.1 132,-0.1 -1.000 41.6 -91.3-156.1 155.2 56.3 -8.0 34.9 5 8 A E - 0 0 52 -2,-0.3 2,-0.4 130,-0.1 129,-0.2 -0.323 35.5-170.4 -64.3 144.3 57.3 -5.8 37.8 6 9 A I E -A 133 0A 0 127,-2.3 127,-2.5 -2,-0.1 2,-0.3 -0.975 4.0-158.4-131.3 147.5 55.7 -2.5 38.2 7 10 A R E -A 132 0A 68 24,-2.7 2,-0.4 -2,-0.4 125,-0.2 -0.962 3.2-164.9-129.0 151.7 56.8 0.2 40.6 8 11 A V E +A 131 0A 1 123,-2.6 123,-2.8 -2,-0.3 24,-0.0 -0.987 68.5 18.7-137.0 143.4 54.9 3.2 42.1 9 12 A F + 0 0 3 -2,-0.4 -1,-0.2 121,-0.2 3,-0.1 0.857 63.4 146.3 62.1 38.9 56.2 6.3 43.9 10 13 A E S S+ 0 0 72 1,-0.2 2,-0.3 -3,-0.2 120,-0.1 0.724 83.7 10.4 -71.0 -19.3 59.7 6.0 42.6 11 14 A N S S+ 0 0 57 16,-0.1 2,-0.3 118,-0.1 -1,-0.2 -0.972 78.7 155.8-148.4 157.0 59.4 9.8 42.7 12 15 A F - 0 0 88 -2,-0.3 2,-0.4 14,-0.1 14,-0.2 -0.950 27.7-143.8-170.1 163.3 56.8 12.1 44.2 13 16 A D E -B 25 0B 92 12,-2.1 12,-2.1 -2,-0.3 2,-0.9 -0.951 18.3-138.1-139.2 114.5 56.3 15.6 45.5 14 17 A M E +B 24 0B 57 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.622 27.0 176.6 -73.4 103.5 54.0 16.3 48.4 15 18 A V E - 0 0 73 8,-1.6 2,-0.3 -2,-0.9 9,-0.2 0.964 58.5 -7.0 -78.4 -58.0 52.2 19.5 47.2 16 19 A S E -B 23 0B 30 7,-1.7 7,-1.9 2,-0.1 2,-0.4 -0.997 48.1-166.1-143.3 154.0 49.7 20.1 50.0 17 20 A F E +B 22 0B 98 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.904 28.7 149.5-138.2 103.9 48.4 18.5 53.1 18 21 A E E > -B 21 0B 117 3,-2.5 3,-2.7 -2,-0.4 40,-0.1 -0.890 58.0 -67.3-136.2 161.8 45.2 19.9 54.6 19 22 A K T 3 S- 0 0 169 1,-0.3 40,-0.2 -2,-0.3 36,-0.1 -0.301 121.1 -10.3 -54.0 119.6 42.3 18.6 56.6 20 23 A G T 3 S+ 0 0 12 35,-0.5 68,-2.2 34,-0.2 2,-0.3 0.587 125.3 84.7 64.5 15.7 40.4 16.3 54.2 21 24 A H E < +BC 18 87B 42 -3,-2.7 -3,-2.5 66,-0.2 2,-0.4 -0.872 47.4 169.8-156.9 113.1 42.5 17.4 51.1 22 25 A V E -BC 17 86B 0 64,-2.0 64,-3.3 -2,-0.3 2,-0.4 -0.996 10.7-166.7-130.7 132.7 45.9 16.2 49.9 23 26 A I E +BC 16 85B 26 -7,-1.9 -7,-1.7 -2,-0.4 -8,-1.6 -0.968 12.4 169.2-120.4 128.1 47.7 16.9 46.6 24 27 A V E -BC 14 84B 0 60,-2.9 60,-3.4 -2,-0.4 2,-0.3 -0.998 15.1-155.7-134.5 141.8 50.7 14.9 45.4 25 28 A T E +BC 13 83B 28 -12,-2.1 -12,-2.1 -2,-0.4 2,-0.3 -0.838 13.8 173.4-109.8 157.8 52.5 15.0 42.0 26 29 A T E - C 0 82B 5 56,-1.9 56,-2.9 -2,-0.3 2,-0.5 -0.969 26.6-123.3-152.7 161.2 54.6 12.3 40.4 27 30 A E E - C 0 81B 91 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.959 27.8-118.7-116.0 129.6 56.2 11.8 37.1 28 31 A V + 0 0 0 52,-2.4 51,-2.4 -2,-0.5 2,-0.2 -0.471 41.6 176.3 -62.0 122.2 55.5 8.7 35.0 29 32 A V > - 0 0 37 -2,-0.3 3,-1.7 49,-0.2 4,-0.4 -0.568 45.6 -79.4-122.7-176.4 58.7 6.7 34.5 30 33 A D G > S+ 0 0 106 1,-0.3 3,-1.7 2,-0.2 7,-0.1 0.906 126.2 48.4 -58.7 -46.9 59.7 3.4 32.8 31 34 A K G 3 S+ 0 0 79 1,-0.3 -24,-2.7 -25,-0.1 -1,-0.3 0.425 100.6 68.3 -78.9 4.5 58.5 1.0 35.6 32 35 A S G < S+ 0 0 2 -3,-1.7 8,-3.1 -26,-0.2 -1,-0.3 0.572 87.9 98.2 -78.9 -19.3 55.1 2.9 35.8 33 36 A L B < -M 39 0C 20 -3,-1.7 6,-0.2 -4,-0.4 2,-0.2 -0.376 62.9-143.6 -89.9 152.2 54.3 1.5 32.3 34 37 A N > - 0 0 37 4,-2.9 3,-2.1 -2,-0.1 4,-0.1 -0.395 52.3 -79.0 -91.3 178.9 52.2 -1.5 31.0 35 38 A Y T 3 S+ 0 0 90 1,-0.3 -2,-0.1 -2,-0.2 -33,-0.0 0.867 128.4 57.2 -50.5 -38.8 53.2 -3.5 27.9 36 39 A Y T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.396 119.0-102.8 -77.5 6.7 51.9 -0.8 25.5 37 40 A G S < S+ 0 0 35 -3,-2.1 41,-0.7 1,-0.3 2,-0.3 0.631 85.4 115.6 81.0 8.4 54.0 2.0 26.9 38 41 A F B S-N 77 0D 84 39,-0.1 -4,-2.9 -4,-0.1 -1,-0.3 -0.815 79.9 -80.7-107.7 163.3 51.2 3.7 28.9 39 42 A A B -M 33 0C 10 37,-2.5 37,-0.3 -2,-0.3 -6,-0.3 -0.278 57.2-110.1 -59.3 130.2 50.9 4.1 32.7 40 43 A H > - 0 0 3 -8,-3.1 4,-2.9 1,-0.1 5,-0.2 -0.296 13.0-129.7 -68.2 139.0 49.7 0.9 34.1 41 44 A G H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.830 112.2 50.8 -59.4 -33.6 46.1 0.8 35.5 42 45 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.862 109.6 49.5 -68.5 -38.0 47.4 -0.7 38.7 43 46 A Y H > S+ 0 0 2 -11,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.959 112.4 49.7 -63.3 -45.6 50.1 2.0 39.0 44 47 A I H X S+ 0 0 4 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.945 112.3 45.6 -57.6 -50.6 47.3 4.6 38.5 45 48 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.864 109.3 55.7 -62.1 -43.4 45.1 3.0 41.1 46 49 A T H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.894 104.6 53.7 -60.1 -38.3 48.0 2.7 43.6 47 50 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.955 113.8 42.9 -56.1 -49.2 48.7 6.5 43.3 48 51 A C H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.909 112.8 52.7 -60.7 -46.9 45.0 7.1 44.2 49 52 A D H X S+ 0 0 12 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.921 109.9 46.5 -60.2 -45.0 44.9 4.6 47.0 50 53 A Q H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.922 111.9 51.5 -66.1 -42.2 48.0 6.0 48.8 51 54 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.907 105.9 54.7 -61.9 -36.4 46.7 9.5 48.5 52 55 A S H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.878 105.0 54.0 -66.7 -35.0 43.4 8.4 50.0 53 56 A G H X S+ 0 0 14 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.866 108.9 48.7 -63.7 -38.5 45.2 7.0 53.0 54 57 A L H X S+ 0 0 3 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.835 107.5 55.1 -67.5 -37.7 46.9 10.4 53.6 55 58 A V H X S+ 0 0 0 -4,-2.1 4,-0.8 2,-0.2 -35,-0.5 0.892 108.4 48.7 -59.7 -35.3 43.5 12.0 53.2 56 59 A S H ><>S+ 0 0 2 -4,-1.6 5,-1.8 2,-0.2 3,-1.0 0.944 111.2 48.8 -75.5 -45.0 42.3 9.8 56.1 57 60 A I H ><5S+ 0 0 32 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.953 105.4 61.0 -52.0 -43.9 45.4 10.7 58.2 58 61 A S H 3<5S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.669 100.7 52.1 -58.9 -22.8 44.6 14.4 57.4 59 62 A T T <<5S- 0 0 14 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.266 128.4 -97.4 -95.5 7.0 41.2 14.2 59.1 60 63 A G T < 5S+ 0 0 35 -3,-2.4 63,-2.1 1,-0.2 2,-0.3 0.689 83.1 105.2 90.8 25.2 42.8 12.7 62.2 61 64 A F E < -D 122 0B 49 -5,-1.8 2,-0.4 61,-0.3 61,-0.3 -0.944 63.0-130.7-141.7 153.5 42.3 8.8 61.8 62 65 A D E +D 121 0B 30 59,-4.4 59,-1.2 -2,-0.3 58,-0.9 -0.777 42.8 169.5 -87.2 143.5 43.6 5.4 61.0 63 66 A A E -D 119 0B 9 -2,-0.4 2,-0.4 56,-0.3 56,-0.2 -0.987 27.6-144.3-150.6 151.5 41.3 3.8 58.5 64 67 A V E -D 118 0B 70 54,-3.1 54,-3.3 -2,-0.3 2,-0.3 -0.991 25.5-119.5-124.3 134.4 41.3 0.8 56.4 65 68 A T E +D 117 0B 19 -2,-0.4 52,-0.3 52,-0.3 3,-0.1 -0.495 26.7 178.7 -69.9 126.8 39.8 0.7 52.9 66 69 A L E + 0 0 75 50,-2.9 131,-2.4 1,-0.3 2,-0.3 0.726 68.7 4.9 -90.6 -33.5 36.9 -1.8 52.5 67 70 A Q E -DE 116 196B 43 49,-1.5 49,-2.9 129,-0.2 2,-0.3 -0.990 58.0-170.1-159.8 137.5 36.2 -1.0 48.9 68 71 A S E -DE 115 195B 0 127,-1.9 127,-2.3 -2,-0.3 2,-0.4 -0.997 4.2-165.5-133.0 151.2 37.2 1.1 45.9 69 72 A S E -DE 114 194B 34 45,-2.1 45,-2.7 -2,-0.3 2,-0.3 -0.979 12.2-173.5-126.4 142.5 35.9 2.0 42.5 70 73 A I E -DE 113 193B 0 123,-2.5 123,-1.8 -2,-0.4 2,-0.5 -0.996 13.4-159.2-140.8 142.0 38.0 3.5 39.7 71 74 A N E -DE 112 192B 79 41,-2.8 41,-2.1 -2,-0.3 2,-0.5 -0.982 13.0-148.4-117.1 124.9 37.2 4.9 36.3 72 75 A Y E +D 111 0B 42 119,-2.3 39,-0.2 -2,-0.5 3,-0.1 -0.867 26.6 162.6 -90.8 125.4 40.0 5.2 33.7 73 76 A L + 0 0 90 37,-2.6 2,-0.3 -2,-0.5 38,-0.2 0.755 61.1 9.9-115.2 -40.3 39.4 8.2 31.4 74 77 A K S S- 0 0 104 36,-1.7 -1,-0.4 34,-0.1 2,-0.1 -0.986 78.7-104.4-145.5 142.2 42.7 9.1 29.6 75 78 A S - 0 0 69 -2,-0.3 2,-0.3 -3,-0.1 -35,-0.1 -0.430 24.8-135.4 -61.5 137.4 46.1 7.3 29.4 76 79 A G - 0 0 2 -37,-0.3 -37,-2.5 -2,-0.1 2,-0.3 -0.759 27.1-151.7 -86.2 148.7 49.1 8.5 31.4 77 80 A K B > -N 38 0D 94 -2,-0.3 3,-3.1 -39,-0.2 -49,-0.3 -0.880 27.6 -80.9-124.0 157.5 52.2 8.6 29.2 78 81 A L T 3 S+ 0 0 107 -41,-0.7 -49,-0.2 -2,-0.3 3,-0.1 -0.265 118.6 20.0 -49.7 133.3 55.9 8.2 29.9 79 82 A G T 3 S+ 0 0 34 -51,-2.4 -1,-0.3 1,-0.3 -50,-0.1 0.189 89.6 141.0 87.2 -20.5 57.2 11.5 31.2 80 83 A D < - 0 0 29 -3,-3.1 -52,-2.4 -53,-0.1 2,-0.6 -0.358 50.1-135.9 -58.9 141.0 53.8 12.9 32.2 81 84 A T E -C 27 0B 45 -54,-0.2 2,-0.5 -3,-0.1 24,-0.3 -0.867 26.9-160.8 -88.1 118.3 53.5 14.9 35.4 82 85 A L E -C 26 0B 0 -56,-2.9 -56,-1.9 -2,-0.6 2,-0.5 -0.869 9.0-150.5-102.9 133.8 50.5 13.6 37.2 83 86 A L E -CF 25 103B 54 20,-2.7 20,-2.0 -2,-0.5 2,-0.6 -0.905 8.2-161.3-103.3 122.9 48.6 15.5 39.8 84 87 A I E -CF 24 102B 0 -60,-3.4 -60,-2.9 -2,-0.5 2,-0.5 -0.927 9.2-174.7-110.6 115.3 46.8 13.3 42.4 85 88 A D E -CF 23 101B 15 16,-2.9 16,-2.4 -2,-0.6 2,-0.4 -0.942 2.1-170.0-118.1 115.7 44.2 15.2 44.4 86 89 A G E -CF 22 100B 0 -64,-3.3 -64,-2.0 -2,-0.5 2,-0.4 -0.872 4.6-177.9-106.7 134.1 42.4 13.5 47.2 87 90 A R E -CF 21 99B 133 12,-2.9 12,-2.7 -2,-0.4 2,-0.6 -0.998 26.8-128.5-132.2 132.0 39.3 14.9 49.0 88 91 A C E + F 0 98B 29 -68,-2.2 10,-0.2 -2,-0.4 3,-0.2 -0.673 26.6 173.7 -76.1 116.5 37.3 13.6 51.9 89 92 A V E S+ 0 0 84 8,-2.3 2,-0.4 -2,-0.6 9,-0.2 0.635 76.1 30.5 -98.0 -20.2 33.6 13.6 50.8 90 93 A H E - 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