==== 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 4ALE . 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) . 7650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 66.3 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 . 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 . 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 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 56 0, 0.0 83,-2.1 0, 0.0 82,-1.2 0.000 360.0 360.0 360.0 129.9 -6.2 6.5 -19.1 2 30 A G E -A 82 0A 0 31,-1.4 33,-0.3 80,-0.3 2,-0.3 -0.977 360.0-154.4-173.9 162.0 -5.9 3.3 -17.1 3 31 A Y E -A 81 0A 35 78,-2.2 78,-2.9 -2,-0.3 2,-0.7 -0.922 33.1-100.6-141.8 163.6 -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 -0.837 33.5 179.9 -88.8 118.5 -7.2 -2.1 -12.7 5 33 A A E 5 +C 8 0B 21 74,-2.5 3,-0.4 -2,-0.7 75,-0.2 0.670 58.6 68.5 -91.0 -23.4 -6.2 -5.4 -14.3 6 34 A S E 5S+A 79 0A 63 73,-1.4 73,-2.8 1,-0.5 -1,-0.3 -0.944 109.5 19.9-152.8 124.3 -5.8 -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 0.683 118.5-113.3 -57.8 142.2 -8.0 -8.2 -9.5 8 36 A G B 5 -C 5 0B 4 -3,-0.4 154,-0.4 -2,-0.1 -3,-0.2 -0.146 28.4-126.3 -53.4 132.9 -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 -0.314 23.8-107.0 -74.0 165.5 -12.1 -4.4 -12.5 10 38 A R H > S+ 0 0 2 150,-2.9 4,-0.5 1,-0.2 151,-0.1 0.929 123.8 43.8 -58.2 -44.5 -15.7 -4.6 -13.5 11 39 A A H >4 S+ 0 0 4 149,-0.5 3,-1.3 1,-0.2 4,-0.3 0.928 111.4 52.8 -65.4 -48.2 -14.9 -2.7 -16.7 12 40 A F H >4 S+ 0 0 21 1,-0.3 3,-2.1 -8,-0.2 6,-0.6 0.884 102.6 58.5 -55.2 -43.2 -11.7 -4.7 -17.4 13 41 A F H 3< S+ 0 0 17 -4,-2.6 9,-1.7 1,-0.3 8,-1.0 0.684 96.7 64.8 -63.1 -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 0.611 94.0 76.9 -77.0 -14.4 -15.9 -6.7 -20.0 15 43 A S S < >S- 0 0 11 -3,-2.1 5,-2.4 -4,-0.3 6,-0.3 -0.528 91.9-113.3 -94.8 162.3 -12.9 -6.7 -22.4 16 44 A S T > 5S+ 0 0 91 13,-0.6 3,-1.7 1,-0.2 -1,-0.1 0.874 119.4 57.5 -61.1 -36.0 -11.3 -9.6 -24.3 17 45 A A T 3 5S+ 0 0 75 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.877 107.7 49.5 -60.1 -34.0 -8.1 -9.0 -22.2 18 46 A G T > 5S- 0 0 6 -6,-0.6 3,-0.8 -3,-0.3 -1,-0.3 0.323 122.0-110.3 -86.3 6.8 -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 0.529 47.8 -89.2 80.9 7.0 -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 0.158 42.7-146.0-116.7 13.8 -20.7 -3.4 -20.4 26 54 A G G > S+ 0 0 39 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 -0.286 77.8 1.7 58.5-134.3 -21.0 -0.7 -23.1 27 55 A R G >> S+ 0 0 73 27,-2.4 4,-3.0 1,-0.3 3,-1.2 0.681 119.5 77.7 -61.9 -20.8 -17.7 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 0.724 80.2 69.6 -63.9 -19.2 -15.9 -1.0 -21.2 29 57 A Q G <4 S+ 0 0 77 -3,-1.9 -13,-0.6 2,-0.2 -1,-0.2 0.879 119.7 16.3 -62.3 -33.8 -15.8 -3.8 -23.8 30 58 A W T <4 S+ 0 0 190 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.667 139.0 26.0-115.4 -26.2 -13.3 -1.8 -25.8 31 59 A E >< + 0 0 58 -4,-3.0 3,-2.1 1,-0.1 -2,-0.2 -0.408 53.3 156.7-142.1 63.7 -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 0.679 76.0 69.0 -61.9 -12.0 -12.1 -0.0 -19.9 33 61 A Q G 3 S+ 0 0 42 1,-0.2 -31,-1.4 -32,-0.1 51,-0.1 0.429 83.4 76.0 -77.4 -5.2 -9.3 2.6 -19.4 34 62 A S G < + 0 0 9 -3,-2.1 2,-1.9 -33,-0.2 -1,-0.2 0.173 48.2 120.6-105.8 21.8 -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 -0.551 41.3 157.9 -86.3 78.0 -13.7 6.0 -17.0 36 64 A E E +D 157 0C 65 -2,-1.9 121,-0.2 121,-0.2 -2,-0.0 -0.895 5.3 147.9-111.1 130.5 -12.6 9.6 -16.4 37 65 A A E -D 156 0C 7 119,-2.3 119,-2.7 -2,-0.5 4,-0.1 -0.970 52.8 -71.8-150.1 165.0 -14.5 12.1 -14.4 38 66 A P E > -D 155 0C 73 0, 0.0 3,-0.9 0, 0.0 117,-0.3 -0.193 64.6 -88.5 -57.2 151.3 -13.7 15.1 -12.2 39 67 A K T 3 S+ 0 0 63 115,-3.1 3,-0.1 1,-0.2 117,-0.1 -0.212 111.2 25.2 -55.4 149.9 -12.2 14.3 -8.8 40 68 A N T 3 S+ 0 0 132 1,-0.2 2,-0.8 -3,-0.1 -1,-0.2 0.759 77.3 149.3 61.9 28.5 -14.7 13.7 -6.0 41 69 A T < + 0 0 31 -3,-0.9 -1,-0.2 -4,-0.1 9,-0.0 -0.862 7.5 155.2 -87.4 110.7 -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 -0.488 10.6 171.0-137.2 65.1 -19.5 10.1 -6.2 43 71 A I > - 0 0 97 3,-0.3 3,-2.6 64,-0.1 7,-0.1 -0.664 41.2-110.8 -82.8 122.4 -23.0 10.1 -7.5 44 72 A T T 3 S+ 0 0 69 -2,-0.5 63,-0.2 1,-0.3 -1,-0.1 -0.265 103.7 13.6 -53.4 130.4 -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 0.435 119.2 73.9 80.6 -0.0 -25.9 4.6 -8.6 46 74 A K <>> + 0 0 101 -3,-2.6 4,-0.8 60,-0.4 5,-0.5 0.020 59.4 104.5-130.9 23.7 -23.2 6.1 -10.9 47 75 A L T 45S+ 0 0 1 59,-0.3 3,-0.3 2,-0.2 113,-0.1 0.939 80.2 49.1 -71.2 -46.1 -20.0 5.0 -9.2 48 76 A A T 45S+ 0 0 2 1,-0.2 112,-0.3 10,-0.1 -1,-0.2 0.857 123.1 32.4 -64.6 -35.8 -19.1 2.2 -11.6 49 77 A S T >45S- 0 0 0 7,-0.1 3,-2.3 -4,-0.1 -1,-0.2 0.545 95.7-137.0 -91.8 -10.5 -19.6 4.4 -14.7 50 78 A A T 3<5 - 0 0 5 -4,-0.8 -3,-0.2 -3,-0.3 -2,-0.1 0.725 65.7 -71.3 52.4 23.9 -18.5 7.6 -13.0 51 79 A G T 3 + 0 0 110 1,-0.3 3,-2.3 -4,-0.2 4,-0.3 0.794 64.8 67.2 -49.9 -38.3 -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 0.803 89.2 67.7 -59.7 -24.3 -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 0.702 86.8 70.1 -62.5 -18.8 -21.8 -0.9 -15.5 59 87 A D G < + 0 0 28 -3,-2.3 47,-0.3 -4,-0.3 -1,-0.2 0.590 66.2 114.4 -82.6 -9.0 -24.1 0.7 -12.9 60 88 A E < - 0 0 100 -3,-1.2 2,-0.4 -4,-0.3 44,-0.1 -0.333 51.1-162.5 -59.1 141.0 -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 -0.905 27.7 131.9-136.9 106.7 -26.2 -3.7 -9.1 62 90 A T - 0 0 34 -2,-0.4 4,-0.4 41,-0.0 3,-0.3 -0.934 63.3-105.5-138.5 168.8 -27.3 -7.1 -8.0 63 91 A A S S+ 0 0 47 -2,-0.3 40,-0.1 1,-0.2 3,-0.0 0.767 118.2 29.0 -63.2 -26.7 -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 0.444 91.2 94.2-118.0 1.7 -25.1 -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 0.863 82.3 51.1 -63.8 -39.8 -24.7 -9.6 -12.0 66 94 A W S S- 0 0 4 -4,-0.4 2,-0.2 -44,-0.1 -44,-0.1 -0.755 83.4-109.7-111.1 148.7 -21.0 -9.3 -12.0 67 95 A H - 0 0 73 -2,-0.3 2,-0.4 -46,-0.1 95,-0.3 -0.498 36.2-153.8 -66.8 132.3 -18.0 -11.6 -12.1 68 96 A K - 0 0 45 -2,-0.2 2,-0.5 93,-0.1 95,-0.3 -0.872 10.8-134.4-109.2 146.1 -16.1 -11.7 -8.8 69 97 A T E -e 163 0C 37 93,-1.9 95,-2.7 -2,-0.4 2,-0.4 -0.826 27.9-123.4 -89.2 131.3 -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 -0.649 46.4 157.9 -73.6 126.3 -12.0 -14.8 -5.1 71 99 A I E -e 165 0C 23 93,-2.3 95,-2.7 -2,-0.4 2,-0.2 -0.859 32.4-127.2-139.0 170.8 -9.7 -13.1 -2.5 72 100 A T - 0 0 86 -2,-0.3 62,-0.1 94,-0.2 2,-0.1 -0.666 34.1 -93.0-110.3 173.0 -8.9 -13.3 1.2 73 101 A T S S+ 0 0 47 -2,-0.2 -1,-0.1 63,-0.1 63,-0.1 -0.293 90.6 43.4 -72.0 173.9 -8.8 -10.7 3.9 74 102 A G E S+ B 0 134A 18 60,-2.8 60,-2.9 -2,-0.1 58,-0.1 -0.497 104.9 15.0 83.4-156.0 -5.5 -9.0 4.6 75 103 A P E - B 0 133A 92 0, 0.0 2,-0.4 0, 0.0 58,-0.2 -0.196 61.8-175.2 -58.6 137.4 -3.0 -7.9 2.0 76 104 A L E - B 0 132A 21 56,-3.0 56,-2.6 -5,-0.1 2,-0.5 -0.992 19.7-136.8-132.7 126.3 -4.2 -7.6 -1.6 77 105 A D E - B 0 131A 102 -2,-0.4 2,-0.5 54,-0.2 54,-0.2 -0.710 18.8-162.7 -81.5 127.8 -2.0 -6.7 -4.6 78 106 A I E - B 0 130A 0 52,-3.1 52,-2.7 -2,-0.5 2,-0.5 -0.942 3.2-166.7-108.4 130.2 -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,-1.4 -0.975 1.1-167.4-120.3 120.5 -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,-0.5 -0.775 7.4-155.5 -94.1 145.4 -3.1 -1.0 -12.8 81 109 A N E -AB 3 127A 45 -78,-2.9 -78,-2.2 -2,-0.3 2,-0.6 -0.996 9.8-156.2-117.0 128.0 -2.4 -0.8 -16.4 82 110 A L E -A 2 0A 6 44,-2.9 -80,-0.3 -2,-0.5 3,-0.3 -0.905 16.7-176.1-107.1 119.0 -2.1 2.6 -17.9 83 111 A T S S+ 0 0 74 -82,-1.2 2,-0.3 -2,-0.6 -81,-0.2 0.729 90.4 26.8 -80.4 -22.8 -2.7 3.0 -21.7 84 112 A A S S- 0 0 36 -83,-2.1 -1,-0.3 -51,-0.1 2,-0.1 -0.906 87.2-142.0-139.9 106.1 -1.8 6.7 -21.3 85 113 A Q - 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