==== 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 05-MAR-12 4ALQ . 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) . 7621.0 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 . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 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 57 0, 0.0 83,-2.0 0, 0.0 82,-1.3 0.000 360.0 360.0 360.0 127.2 -6.2 6.4 -19.1 2 30 A G E -A 82 0A 0 31,-1.4 33,-0.3 80,-0.3 2,-0.3 -0.981 360.0-154.1-172.5 165.7 -5.9 3.2 -17.2 3 31 A Y E -A 81 0A 34 78,-2.2 78,-2.8 -2,-0.3 2,-0.7 -0.938 33.4 -99.5-143.9 163.0 -7.8 0.3 -15.5 4 32 A V E > +A 80 0A 0 -2,-0.3 5,-2.3 76,-0.2 76,-0.3 -0.821 33.9 178.9 -87.9 117.4 -7.2 -2.2 -12.7 5 33 A A E 5 +C 8 0B 22 74,-2.5 3,-0.4 -2,-0.7 75,-0.2 0.651 58.9 69.0 -90.7 -23.0 -6.2 -5.5 -14.3 6 34 A S E 5S+A 79 0A 61 73,-1.5 73,-2.8 1,-0.5 -1,-0.3 -0.934 110.5 18.8-152.2 123.1 -5.7 -7.5 -11.1 7 35 A P T 5S- 0 0 7 0, 0.0 -1,-0.5 0, 0.0 72,-0.1 0.679 118.5-113.8 -60.0 143.3 -8.0 -8.3 -9.4 8 36 A G B 5 -C 5 0B 4 -3,-0.4 154,-0.4 -2,-0.1 -3,-0.2 -0.172 28.1-126.0 -56.2 133.5 -9.8 -7.5 -12.7 9 37 A S >< - 0 0 0 -5,-2.3 4,-2.7 152,-0.2 152,-0.3 -0.303 23.9-106.9 -73.4 164.4 -12.1 -4.5 -12.5 10 38 A R H > S+ 0 0 2 150,-2.8 4,-0.5 1,-0.2 151,-0.1 0.912 123.6 44.2 -57.7 -42.8 -15.8 -4.7 -13.5 11 39 A A H >4 S+ 0 0 4 149,-0.5 3,-1.3 1,-0.2 4,-0.3 0.934 111.4 52.2 -67.0 -47.7 -14.9 -2.7 -16.7 12 40 A F H >4 S+ 0 0 20 1,-0.3 3,-2.0 -8,-0.3 6,-0.6 0.884 103.2 58.3 -56.7 -41.8 -11.7 -4.7 -17.5 13 41 A F H 3< S+ 0 0 15 -4,-2.7 9,-1.6 1,-0.3 8,-1.1 0.699 96.9 64.8 -63.6 -17.7 -13.7 -8.0 -17.2 14 42 A G T << S+ 0 0 2 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.601 94.6 76.6 -76.9 -14.5 -15.9 -6.7 -20.0 15 43 A S S < >S- 0 0 11 -3,-2.0 5,-2.4 -4,-0.3 3,-0.4 -0.550 92.3-112.3 -95.3 163.0 -13.0 -6.7 -22.4 16 44 A S T > 5S+ 0 0 93 13,-0.6 3,-1.7 1,-0.2 -1,-0.1 0.880 119.2 57.0 -60.4 -36.4 -11.3 -9.5 -24.3 17 45 A A T 3 5S+ 0 0 76 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.860 107.9 49.5 -61.8 -32.5 -8.1 -9.1 -22.2 18 46 A G T > 5S- 0 0 7 -6,-0.6 3,-0.7 -3,-0.4 -1,-0.3 0.317 122.2-110.2 -88.0 7.5 -10.4 -9.6 -19.2 19 47 A G T < 5 - 0 0 45 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.542 47.7 -88.3 80.2 8.7 -11.9 -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 0.155 43.3-146.3-118.1 15.4 -20.7 -3.4 -20.4 26 54 A G G > S+ 0 0 37 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 -0.257 77.8 2.7 58.6-134.3 -21.0 -0.8 -23.1 27 55 A R G >> S+ 0 0 74 27,-2.5 4,-2.8 1,-0.3 3,-1.1 0.697 119.2 77.7 -61.3 -19.1 -17.8 1.1 -23.8 28 56 A A G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 26,-0.3 -2,-0.2 0.741 79.9 69.8 -65.3 -20.2 -16.0 -1.0 -21.2 29 57 A Q G <4 S+ 0 0 76 -3,-2.0 -13,-0.6 2,-0.2 -1,-0.2 0.883 119.4 16.2 -59.5 -36.3 -15.8 -3.9 -23.8 30 58 A W T <4 S+ 0 0 189 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.696 138.7 26.2-112.6 -26.5 -13.3 -1.8 -25.8 31 59 A E >< + 0 0 58 -4,-2.8 3,-2.1 1,-0.1 -2,-0.2 -0.437 53.0 156.7-142.9 64.0 -11.9 0.9 -23.6 32 60 A P G > S+ 0 0 5 0, 0.0 3,-0.5 0, 0.0 -20,-0.2 0.661 76.1 69.0 -64.2 -11.6 -12.1 -0.0 -19.9 33 61 A Q G 3 S+ 0 0 40 1,-0.2 -31,-1.4 -32,-0.1 51,-0.1 0.454 83.3 76.0 -77.1 -6.7 -9.3 2.6 -19.5 34 62 A S G < + 0 0 8 -3,-2.1 2,-1.9 -33,-0.2 -1,-0.2 0.174 48.5 120.8-104.0 21.5 -11.6 5.5 -20.2 35 63 A I < + 0 0 2 -3,-0.5 123,-2.2 -33,-0.3 2,-0.5 -0.530 40.7 157.5 -86.8 77.9 -13.7 6.0 -17.1 36 64 A E E +D 157 0C 60 -2,-1.9 121,-0.2 121,-0.2 -2,-0.0 -0.890 5.2 148.4-111.2 128.7 -12.6 9.6 -16.4 37 65 A A E -D 156 0C 6 119,-2.3 119,-2.7 -2,-0.5 4,-0.1 -0.961 52.7 -72.6-148.5 163.6 -14.6 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 -0.194 64.3 -87.7 -54.9 150.9 -13.7 15.1 -12.2 39 67 A K T 3 S+ 0 0 61 115,-3.2 3,-0.1 1,-0.2 117,-0.1 -0.220 111.5 25.2 -55.1 149.6 -12.2 14.4 -8.8 40 68 A N T 3 S+ 0 0 131 1,-0.2 2,-0.8 -3,-0.1 -1,-0.2 0.770 77.3 149.5 62.1 29.8 -14.7 13.7 -6.0 41 69 A T < + 0 0 31 -3,-0.9 -1,-0.2 -4,-0.1 2,-0.1 -0.860 7.2 154.7 -88.8 111.4 -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 -0.495 10.9 170.8-138.7 66.4 -19.5 10.1 -6.2 43 71 A I > - 0 0 102 3,-0.3 3,-2.6 64,-0.1 7,-0.1 -0.677 41.5-110.1 -85.7 124.6 -23.1 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 -0.282 103.9 12.9 -55.9 131.2 -25.1 7.3 -6.0 45 73 A G T 3 S+ 0 0 16 61,-3.0 -1,-0.3 59,-0.1 62,-0.1 0.446 119.0 74.3 79.0 2.6 -25.9 4.6 -8.6 46 74 A K <> + 0 0 101 -3,-2.6 4,-0.9 60,-0.4 5,-0.5 0.047 59.3 104.2-131.9 22.5 -23.3 6.1 -10.9 47 75 A L T 4 S+ 0 0 1 59,-0.3 3,-0.3 2,-0.2 113,-0.1 0.943 80.3 49.1 -69.9 -47.6 -20.0 5.0 -9.2 48 76 A A T 4 S+ 0 0 2 1,-0.2 112,-0.3 10,-0.1 -1,-0.2 0.863 123.7 32.2 -62.7 -36.1 -19.1 2.2 -11.6 49 77 A S T >4 S- 0 0 0 7,-0.1 3,-2.3 -4,-0.1 -1,-0.2 0.545 95.4-137.8 -92.2 -10.4 -19.6 4.4 -14.7 50 78 A A T 3< - 0 0 5 -4,-0.9 -3,-0.2 -3,-0.3 -2,-0.1 0.717 65.9 -71.3 50.2 24.4 -18.5 7.6 -13.0 51 79 A G T 3 S+ 0 0 48 -5,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.538 93.6 154.5 75.5 8.1 -21.5 9.1 -14.8 52 80 A V X - 0 0 24 -3,-2.3 3,-2.0 -6,-0.2 4,-0.3 -0.524 50.7-104.0 -80.0 133.8 -19.7 8.8 -18.1 53 81 A S T 3 S+ 0 0 82 -2,-0.3 -1,-0.1 1,-0.3 -26,-0.0 -0.213 104.2 17.4 -50.8 131.4 -21.6 8.5 -21.4 54 82 A G T 3 S+ 0 0 26 -3,-0.1 -27,-2.5 -28,-0.1 -26,-0.3 0.319 107.0 82.7 87.1 -9.6 -21.6 4.9 -22.8 55 83 A F X + 0 0 0 -3,-2.0 3,-1.9 -29,-0.2 4,-0.3 0.344 54.0 111.9-105.7 4.4 -20.6 3.3 -19.5 56 84 A E G > + 0 0 110 1,-0.3 3,-2.2 -4,-0.3 4,-0.3 0.791 64.5 67.0 -47.2 -39.3 -24.1 3.2 -18.0 57 85 A P G > S+ 0 0 51 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 0.809 89.4 67.2 -60.2 -24.4 -24.5 -0.6 -18.1 58 86 A L G < S+ 0 0 2 -3,-1.9 -2,-0.2 1,-0.2 -10,-0.1 0.708 86.8 70.8 -64.2 -17.8 -21.8 -0.9 -15.5 59 87 A D G < + 0 0 30 -3,-2.2 47,-0.3 -4,-0.3 -1,-0.2 0.575 66.5 114.5 -81.5 -8.5 -24.1 0.7 -12.9 60 88 A E < - 0 0 101 -3,-1.3 2,-0.4 -4,-0.3 44,-0.1 -0.338 51.0-162.1 -59.6 140.8 -26.5 -2.2 -12.6 61 89 A Q + 0 0 18 42,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.890 28.0 131.5-137.7 105.3 -26.2 -3.7 -9.1 62 90 A T - 0 0 39 -2,-0.4 4,-0.4 41,-0.1 3,-0.3 -0.925 63.3-106.0-136.5 168.5 -27.4 -7.1 -8.0 63 91 A A S S+ 0 0 39 -2,-0.3 40,-0.1 1,-0.2 3,-0.0 0.771 118.2 29.4 -63.7 -26.2 -25.7 -9.9 -6.0 64 92 A T S S+ 0 0 127 1,-0.1 -1,-0.2 38,-0.0 39,-0.0 0.435 91.4 93.8-117.1 0.4 -25.2 -12.0 -9.1 65 93 A R S S+ 0 0 57 -3,-0.3 2,-0.3 2,-0.1 -2,-0.1 0.861 82.4 50.2 -63.4 -39.6 -24.8 -9.6 -12.1 66 94 A W S S- 0 0 5 -4,-0.4 2,-0.2 -44,-0.1 -44,-0.1 -0.751 83.6-109.2-112.6 149.8 -21.0 -9.3 -12.1 67 95 A H - 0 0 73 -2,-0.3 2,-0.4 -57,-0.1 95,-0.3 -0.525 36.1-151.9 -71.1 133.6 -18.0 -11.7 -12.0 68 96 A K - 0 0 45 -2,-0.2 2,-0.5 93,-0.1 95,-0.3 -0.860 10.2-135.3-107.3 143.6 -16.1 -11.7 -8.7 69 97 A T E -e 163 0C 38 93,-2.0 95,-2.6 -2,-0.4 2,-0.4 -0.838 28.1-124.4 -87.6 129.8 -12.4 -12.5 -8.1 70 98 A N E +e 164 0C 124 -2,-0.5 2,-0.3 93,-0.2 95,-0.2 -0.641 45.8 158.8 -72.9 126.5 -12.0 -14.8 -5.1 71 99 A I E -e 165 0C 21 93,-2.4 95,-2.8 -2,-0.4 2,-0.2 -0.854 32.8-125.6-138.1 171.6 -9.7 -13.1 -2.5 72 100 A T - 0 0 89 -2,-0.3 62,-0.1 94,-0.3 2,-0.1 -0.680 33.8 -96.0-109.9 169.7 -8.9 -13.3 1.2 73 101 A T S S+ 0 0 46 -2,-0.2 -1,-0.1 63,-0.1 63,-0.1 -0.301 90.6 45.5 -70.9 172.3 -8.9 -10.6 3.9 74 102 A G E S+ B 0 134A 17 60,-2.8 60,-2.8 -2,-0.1 58,-0.1 -0.517 104.9 13.1 86.5-158.4 -5.5 -9.1 4.6 75 103 A P E - B 0 133A 91 0, 0.0 2,-0.4 0, 0.0 58,-0.2 -0.185 61.8-176.0 -58.1 138.7 -3.0 -7.9 2.0 76 104 A L E - B 0 132A 21 56,-2.7 56,-2.5 -5,-0.1 2,-0.4 -0.989 20.1-136.1-135.6 126.2 -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 -0.702 18.3-162.0 -82.0 130.3 -2.0 -6.7 -4.6 78 106 A I E - B 0 130A 0 52,-3.3 52,-2.7 -2,-0.4 2,-0.5 -0.956 3.9-167.5-109.9 129.5 -3.6 -4.2 -7.0 79 107 A T E -AB 6 129A 31 -73,-2.8 -74,-2.5 -2,-0.5 -73,-1.5 -0.972 1.3-168.5-120.6 120.2 -2.2 -3.9 -10.5 80 108 A W E -AB 4 128A 0 48,-2.6 48,-2.1 -2,-0.5 2,-0.4 -0.755 8.2-154.8 -93.0 147.4 -3.1 -1.0 -12.8 81 109 A N E -AB 3 127A 44 -78,-2.8 -78,-2.2 -2,-0.3 2,-0.6 -0.997 10.0-155.9-118.3 129.3 -2.4 -0.8 -16.5 82 110 A L E -A 2 0A 4 44,-2.9 -80,-0.3 -2,-0.4 3,-0.3 -0.913 16.3-175.7-108.0 119.1 -2.1 2.7 -17.9 83 111 A T S S+ 0 0 63 -82,-1.3 2,-0.4 -2,-0.6 -81,-0.2 0.734 90.1 26.8 -80.9 -23.4 -2.7 3.1 -21.7 84 112 A A S S- 0 0 36 -83,-2.0 -1,-0.3 -51,-0.1 2,-0.2 -0.915 87.1-142.1-139.1 107.3 -1.8 6.8 -21.3 85 113 A Q - 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