==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHITIN BINDING PROTEIN 02-MAR-12 4ALC . COMPND 2 MOLECULE: CHITIN BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR M.GUDMUNDSSON,M.WU,T.ISHIDA,M.H.MOMENI,G.VAAJE-KOLSTAD,V.EIJ . 166 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7613.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 31.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 0 0.0 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 0.6 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 1 2 0 1 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 1 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 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 29 A H 0 0 55 0, 0.0 83,-2.1 0, 0.0 82,-1.1 0.000 360.0 360.0 360.0 132.3 -6.2 6.5 -19.1 2 30 A G E -A 82 0A 0 31,-1.5 33,-0.3 80,-0.3 2,-0.3 -0.979 360.0-154.5-174.1 164.1 -5.9 3.3 -17.2 3 31 A Y E -A 81 0A 34 78,-2.3 78,-2.9 -2,-0.3 2,-0.6 -0.930 32.8-100.0-144.3 163.4 -7.7 0.4 -15.5 4 32 A V E > +A 80 0A 0 -2,-0.3 5,-2.3 76,-0.2 76,-0.3 -0.832 33.2 179.9 -89.0 118.5 -7.2 -2.1 -12.7 5 33 A A E 5 +C 8 0B 21 74,-2.5 3,-0.4 -2,-0.6 75,-0.2 0.649 58.0 69.3 -91.7 -21.5 -6.2 -5.4 -14.3 6 34 A S E 5S+A 79 0A 63 73,-1.4 73,-2.8 1,-0.6 -1,-0.3 -0.932 109.5 19.0-154.4 125.3 -5.8 -7.5 -11.1 7 35 A P T 5S- 0 0 7 0, 0.0 -1,-0.6 0, 0.0 72,-0.1 0.679 118.9-112.5 -59.2 143.6 -8.0 -8.3 -9.5 8 36 A G B 5 -C 5 0B 4 -3,-0.4 154,-0.4 -2,-0.2 -3,-0.2 -0.136 28.2-126.3 -53.6 132.0 -9.8 -7.5 -12.7 9 37 A S >< - 0 0 0 -5,-2.3 4,-2.6 152,-0.2 152,-0.3 -0.312 24.8-106.7 -72.3 166.0 -12.1 -4.4 -12.5 10 38 A R T 4 S+ 0 0 1 150,-3.0 4,-0.5 1,-0.2 151,-0.1 0.923 123.6 44.3 -61.1 -42.1 -15.7 -4.6 -13.5 11 39 A A T >4 S+ 0 0 3 149,-0.5 3,-1.3 1,-0.2 4,-0.3 0.926 111.2 53.0 -66.4 -46.9 -14.9 -2.7 -16.7 12 40 A F G >4 S+ 0 0 21 1,-0.3 3,-2.1 -8,-0.2 6,-0.6 0.890 102.8 57.7 -57.4 -42.3 -11.7 -4.7 -17.5 13 41 A F G 3< S+ 0 0 16 -4,-2.6 9,-1.6 1,-0.3 8,-1.1 0.692 96.6 65.8 -63.6 -17.6 -13.6 -8.0 -17.2 14 42 A G G < S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.615 94.3 76.4 -75.3 -14.6 -15.9 -6.6 -20.0 15 43 A S S < >S- 0 0 11 -3,-2.1 5,-2.5 -4,-0.3 3,-0.3 -0.531 92.1-112.5 -97.5 163.9 -12.9 -6.7 -22.4 16 44 A S T > 5S+ 0 0 92 13,-0.6 3,-1.9 1,-0.2 -1,-0.1 0.886 119.8 56.4 -61.4 -37.2 -11.3 -9.5 -24.3 17 45 A A T 3 5S+ 0 0 75 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.856 107.9 49.8 -61.2 -33.0 -8.1 -9.0 -22.2 18 46 A G T > 5S- 0 0 7 -6,-0.6 3,-0.8 -3,-0.3 -1,-0.3 0.303 122.0-110.8 -86.3 7.6 -10.4 -9.5 -19.2 19 47 A G T < 5 - 0 0 45 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.548 47.8 -88.8 78.9 8.4 -11.8 -12.7 -20.7 20 48 A N T 3 - 0 0 4 1,-0.3 3,-1.9 -3,-0.2 33,-0.2 0.153 42.9-146.0-116.5 15.4 -20.7 -3.4 -20.4 26 54 A G G > S+ 0 0 37 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 -0.278 78.0 2.1 56.9-133.3 -21.0 -0.7 -23.1 27 55 A R G >> S+ 0 0 73 27,-2.4 4,-2.9 1,-0.3 3,-1.1 0.689 119.4 78.1 -61.4 -20.8 -17.8 1.2 -23.8 28 56 A A G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 26,-0.3 -2,-0.2 0.754 80.2 69.2 -62.6 -21.9 -15.9 -1.0 -21.2 29 57 A Q G <4 S+ 0 0 76 -3,-1.9 -13,-0.6 2,-0.2 -1,-0.2 0.875 119.5 16.4 -60.3 -35.8 -15.8 -3.8 -23.8 30 58 A W T <4 S+ 0 0 189 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.676 138.7 26.4-113.7 -25.9 -13.3 -1.8 -25.8 31 59 A E >< + 0 0 57 -4,-2.9 3,-2.2 1,-0.1 -2,-0.2 -0.405 53.5 156.5-142.0 65.0 -11.9 0.9 -23.6 32 60 A P T 3 S+ 0 0 5 0, 0.0 3,-0.5 0, 0.0 -20,-0.2 0.665 76.2 68.5 -63.9 -12.5 -12.1 -0.0 -19.9 33 61 A Q T 3 S+ 0 0 41 1,-0.2 -31,-1.5 -30,-0.1 51,-0.1 0.430 83.3 76.4 -77.5 -5.1 -9.3 2.6 -19.4 34 62 A S < + 0 0 9 -3,-2.2 2,-1.9 -33,-0.2 -1,-0.2 0.152 48.9 120.6-105.0 21.1 -11.6 5.5 -20.2 35 63 A I + 0 0 2 -3,-0.5 123,-2.1 -33,-0.3 2,-0.5 -0.530 40.7 157.3 -86.7 76.9 -13.7 6.0 -17.0 36 64 A E E +D 157 0C 60 -2,-1.9 121,-0.2 121,-0.2 -2,-0.0 -0.884 5.4 147.7-110.6 131.6 -12.6 9.6 -16.4 37 65 A A E -D 156 0C 7 119,-2.3 119,-2.8 -2,-0.5 4,-0.1 -0.964 53.1 -71.0-150.1 164.1 -14.5 12.1 -14.4 38 66 A P E > -D 155 0C 70 0, 0.0 3,-0.9 0, 0.0 117,-0.3 -0.204 64.0 -89.7 -54.9 148.8 -13.7 15.1 -12.2 39 67 A K T 3 S+ 0 0 63 115,-3.0 3,-0.1 1,-0.2 117,-0.1 -0.225 111.3 26.3 -53.3 148.8 -12.2 14.3 -8.8 40 68 A N T 3 S+ 0 0 134 1,-0.2 2,-0.8 -3,-0.1 -1,-0.2 0.752 77.4 147.8 64.0 27.9 -14.7 13.7 -6.0 41 69 A T < + 0 0 32 -3,-0.9 -1,-0.2 -4,-0.1 2,-0.1 -0.873 8.1 155.2 -89.5 112.0 -17.5 12.6 -8.3 42 70 A F + 0 0 49 -2,-0.8 2,-0.5 -3,-0.1 66,-0.3 -0.522 11.2 172.1-138.3 67.6 -19.5 10.1 -6.2 43 71 A I > - 0 0 98 3,-0.3 3,-2.6 64,-0.1 7,-0.1 -0.689 40.6-111.4 -86.1 122.9 -23.0 10.0 -7.5 44 72 A T T 3 S+ 0 0 69 -2,-0.5 63,-0.2 1,-0.3 62,-0.1 -0.294 103.9 14.2 -54.8 130.8 -25.1 7.3 -6.0 45 73 A G T 3 S+ 0 0 17 61,-3.1 -1,-0.3 59,-0.1 62,-0.1 0.430 119.1 73.1 79.9 1.5 -25.9 4.6 -8.6 46 74 A K <>> + 0 0 100 -3,-2.6 4,-0.8 60,-0.4 5,-0.5 0.019 59.1 104.8-134.0 23.4 -23.2 6.0 -10.9 47 75 A L T 45S+ 0 0 1 59,-0.3 3,-0.3 2,-0.2 113,-0.1 0.938 80.8 49.1 -69.4 -47.3 -20.0 5.0 -9.2 48 76 A A T 45S+ 0 0 3 1,-0.2 112,-0.3 10,-0.1 -1,-0.2 0.874 123.5 32.2 -63.7 -37.6 -19.1 2.1 -11.6 49 77 A S T >45S- 0 0 0 7,-0.1 3,-2.4 -4,-0.1 -1,-0.2 0.552 95.3-137.4 -91.3 -8.7 -19.6 4.4 -14.7 50 78 A A T 3<5 - 0 0 6 -4,-0.8 -3,-0.2 -3,-0.3 3,-0.1 0.718 66.0 -71.8 50.8 23.9 -18.5 7.6 -13.0 51 79 A G T 3 + 0 0 110 1,-0.3 3,-2.4 -4,-0.3 4,-0.3 0.802 64.6 67.0 -48.7 -39.2 -24.1 3.2 -18.0 57 85 A P G > S+ 0 0 51 0, 0.0 3,-1.2 0, 0.0 -1,-0.3 0.801 89.7 67.2 -59.5 -24.4 -24.5 -0.6 -18.2 58 86 A L G < S+ 0 0 2 -3,-2.0 -2,-0.2 1,-0.2 -10,-0.1 0.691 86.9 70.0 -64.1 -17.0 -21.8 -0.9 -15.5 59 87 A D G < + 0 0 27 -3,-2.4 47,-0.3 -4,-0.3 -1,-0.2 0.604 66.5 114.7 -83.7 -11.6 -24.1 0.7 -12.9 60 88 A E < - 0 0 102 -3,-1.2 2,-0.4 -4,-0.3 44,-0.1 -0.312 51.3-161.8 -56.1 139.5 -26.5 -2.2 -12.6 61 89 A Q + 0 0 16 42,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.895 27.9 132.3-136.7 106.2 -26.2 -3.7 -9.1 62 90 A T - 0 0 34 -2,-0.4 4,-0.5 41,-0.1 3,-0.4 -0.939 62.9-106.2-136.9 167.7 -27.3 -7.1 -8.0 63 91 A A S S+ 0 0 46 -2,-0.3 40,-0.1 1,-0.2 3,-0.0 0.778 118.3 28.9 -62.1 -26.3 -25.7 -9.9 -6.0 64 92 A T S S+ 0 0 126 1,-0.1 -1,-0.2 38,-0.0 39,-0.0 0.435 91.6 93.9-118.2 0.3 -25.1 -12.0 -9.1 65 93 A R S S+ 0 0 55 -3,-0.4 2,-0.3 2,-0.1 -2,-0.1 0.870 82.3 50.6 -64.3 -39.3 -24.7 -9.6 -12.0 66 94 A W S S- 0 0 4 -4,-0.5 2,-0.2 -44,-0.1 -44,-0.1 -0.753 83.5-109.6-111.7 147.9 -20.9 -9.3 -12.0 67 95 A H - 0 0 71 -2,-0.3 2,-0.4 -46,-0.1 95,-0.3 -0.507 36.2-152.8 -67.2 132.4 -18.0 -11.6 -12.0 68 96 A K - 0 0 44 -2,-0.2 2,-0.5 93,-0.1 95,-0.3 -0.871 10.6-134.7-108.1 145.3 -16.1 -11.7 -8.8 69 97 A T E -e 163 0C 36 93,-2.0 95,-2.7 -2,-0.4 2,-0.4 -0.821 28.0-124.1 -88.0 130.1 -12.4 -12.5 -8.1 70 98 A N E +e 164 0C 122 -2,-0.5 2,-0.3 93,-0.2 95,-0.2 -0.654 46.3 157.7 -74.6 126.5 -12.0 -14.8 -5.1 71 99 A I E -e 165 0C 21 93,-2.2 95,-2.8 -2,-0.4 2,-0.2 -0.838 32.8-126.0-137.7 171.9 -9.7 -13.1 -2.5 72 100 A T - 0 0 84 -2,-0.3 62,-0.1 93,-0.2 2,-0.1 -0.692 33.6 -94.6-110.8 172.3 -8.9 -13.3 1.2 73 101 A T S S+ 0 0 48 93,-0.4 -1,-0.1 -2,-0.2 63,-0.1 -0.293 90.7 45.3 -71.6 172.6 -8.9 -10.6 3.9 74 102 A G E S+ B 0 134A 17 60,-2.8 60,-2.9 -2,-0.1 58,-0.1 -0.522 104.8 13.4 85.4-158.3 -5.5 -9.1 4.6 75 103 A P E - B 0 133A 92 0, 0.0 2,-0.4 0, 0.0 58,-0.2 -0.204 61.9-175.1 -58.2 138.6 -3.0 -7.9 2.0 76 104 A L E - B 0 132A 21 56,-3.1 56,-2.5 -5,-0.1 2,-0.4 -0.991 19.5-136.9-133.7 126.7 -4.2 -7.6 -1.6 77 105 A D E - B 0 131A 101 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -0.705 18.1-162.7 -82.4 130.8 -2.1 -6.7 -4.6 78 106 A I E - B 0 130A 0 52,-3.2 52,-2.8 -2,-0.4 2,-0.5 -0.957 3.3-167.1-110.1 129.5 -3.6 -4.2 -7.0 79 107 A T E -AB 6 129A 32 -73,-2.8 -74,-2.5 -2,-0.5 -73,-1.4 -0.977 1.7-167.8-120.0 119.9 -2.2 -3.9 -10.5 80 108 A W E -AB 4 128A 0 48,-2.8 48,-2.1 -2,-0.5 2,-0.4 -0.754 7.9-154.6 -94.5 147.7 -3.1 -1.0 -12.8 81 109 A N E -AB 3 127A 44 -78,-2.9 -78,-2.3 -2,-0.3 2,-0.6 -0.998 9.5-156.1-118.1 128.1 -2.4 -0.8 -16.4 82 110 A L E -A 2 0A 4 44,-3.0 -80,-0.3 -2,-0.4 3,-0.3 -0.909 15.7-175.4-107.2 118.4 -2.1 2.7 -17.9 83 111 A T S S+ 0 0 61 -82,-1.1 2,-0.4 -2,-0.6 -81,-0.2 0.737 90.5 25.0 -78.7 -23.2 -2.7 3.0 -21.6 84 112 A A S S- 0 0 36 -83,-2.1 -1,-0.3 -51,-0.1 2,-0.2 -0.917 88.0-141.1-141.1 108.2 -1.8 6.7 -21.3 85 113 A Q - 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