==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHITIN-BINDING PROTEIN 06-NOV-10 2XWX . COMPND 2 MOLECULE: GLCNAC-BINDING PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR E.WONG,G.VAAJE-KOLSTAD,A.GHOSH,R.H.GUERRERO,P.V.KONAREV,A.F. . 770 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32747.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 248 32.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 75 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 2 2 8 2 4 2 5 7 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 6 2 2 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 24 A H 0 0 2 0, 0.0 94,-2.0 0, 0.0 95,-1.7 0.000 360.0 360.0 360.0 135.8 1.8 64.0 85.6 2 25 A G E -A 94 0A 0 39,-1.9 41,-0.4 92,-0.3 2,-0.3 -0.979 360.0-130.3 168.0-176.7 2.8 60.6 87.1 3 26 A Y E -A 93 0A 27 90,-2.1 90,-3.0 -2,-0.3 2,-0.4 -0.969 33.8 -87.2-161.2 158.2 1.7 57.5 89.0 4 27 A V E +A 92 0A 0 -2,-0.3 10,-2.1 88,-0.2 88,-0.3 -0.648 57.7 168.4 -81.3 127.6 2.5 55.2 91.9 5 28 A S E -A 91 0A 2 86,-2.6 86,-0.5 -2,-0.4 7,-0.3 -0.712 39.8-145.0-136.2 175.3 5.0 52.6 90.7 6 29 A A + 0 0 18 -2,-0.2 7,-0.1 5,-0.1 -2,-0.0 -0.414 58.0 115.6-146.4 63.4 7.3 49.8 91.9 7 30 A V S S+ 0 0 103 17,-0.0 -1,-0.0 0, 0.0 86,-0.0 0.656 91.7 15.9-101.5 -24.0 10.3 49.8 89.5 8 31 A E S S- 0 0 109 -3,-0.0 -2,-0.1 0, 0.0 135,-0.0 0.681 138.6 -27.5-110.2 -85.9 12.9 50.8 92.2 9 32 A N S S+ 0 0 101 -4,-0.1 80,-0.3 81,-0.0 -3,-0.1 0.330 86.4 135.8-119.3 6.5 11.9 50.4 95.9 10 33 A G - 0 0 14 1,-0.1 80,-0.2 80,-0.1 3,-0.1 -0.313 46.3-148.4 -66.8 138.5 8.1 50.9 95.8 11 34 A V S S+ 0 0 32 78,-2.5 2,-0.3 1,-0.2 -1,-0.1 0.825 76.5 3.4 -74.7 -30.5 6.0 48.5 97.9 12 35 A A - 0 0 1 -7,-0.3 79,-0.3 77,-0.3 -1,-0.2 -0.975 69.1-117.9-163.6 140.7 3.0 48.4 95.6 13 36 A E - 0 0 10 -2,-0.3 162,-0.3 -3,-0.1 -8,-0.2 -0.438 38.5-104.9 -76.8 147.8 1.8 49.8 92.3 14 37 A G > - 0 0 0 -10,-2.1 4,-1.9 -2,-0.1 160,-0.2 -0.317 29.9-111.4 -66.5 153.4 -1.3 52.1 92.0 15 38 A R T 4 S+ 0 0 2 158,-2.9 4,-0.4 1,-0.2 3,-0.4 0.939 120.3 45.8 -47.5 -53.5 -4.5 50.7 90.7 16 39 A V T >> S+ 0 0 4 157,-0.4 3,-1.4 1,-0.2 4,-0.5 0.862 106.1 60.2 -63.1 -37.9 -4.2 52.8 87.5 17 40 A T H >> S+ 0 0 3 1,-0.3 4,-3.1 2,-0.2 3,-1.7 0.904 99.7 55.9 -55.8 -41.8 -0.6 51.8 87.1 18 41 A L H 3< S+ 0 0 2 -4,-1.9 12,-2.0 -3,-0.4 -1,-0.3 0.531 92.9 70.7 -74.9 -5.7 -1.6 48.1 86.9 19 42 A a H <4 S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.746 117.8 20.1 -72.5 -24.8 -3.9 48.9 84.0 20 43 A K H << S+ 0 0 31 -3,-1.7 2,-0.4 -4,-0.5 -2,-0.2 0.760 125.3 49.2-112.9 -38.5 -0.8 49.5 81.9 21 44 A F S < S- 0 0 61 -4,-3.1 -1,-0.2 -5,-0.2 9,-0.2 -0.882 80.2-115.7-113.7 138.0 2.0 47.7 83.7 22 45 A A - 0 0 38 -2,-0.4 7,-0.2 1,-0.1 6,-0.1 -0.361 41.3-100.2 -65.5 141.6 2.2 44.1 85.0 23 46 A A > - 0 0 5 5,-2.7 4,-1.6 -5,-0.1 2,-0.5 -0.250 41.9 -99.9 -59.8 145.0 2.6 43.7 88.8 24 47 A N T 4 S- 0 0 114 1,-0.2 2,-0.9 2,-0.2 -1,-0.1 -0.518 99.8 -3.4 -67.5 118.1 6.1 43.0 90.0 25 48 A G T 4 S+ 0 0 76 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.315 133.4 51.3 105.8 -54.4 6.4 39.3 90.7 26 49 A T T 4 S- 0 0 78 -2,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.731 88.6-139.8 -90.6 -25.1 3.0 38.0 89.9 27 50 A G < + 0 0 31 -4,-1.6 -3,-0.1 1,-0.2 2,-0.1 0.539 47.0 149.2 78.4 6.3 2.5 39.5 86.5 28 51 A E - 0 0 50 -6,-0.1 -5,-2.7 -4,-0.1 2,-0.3 -0.379 27.3-163.1 -73.5 154.3 -1.1 40.4 87.1 29 52 A K - 0 0 21 -7,-0.2 2,-0.2 396,-0.1 -10,-0.2 -0.938 24.5-112.1-126.8 155.4 -2.9 43.4 85.5 30 53 A N - 0 0 4 -12,-2.0 2,-0.3 -2,-0.3 3,-0.2 -0.625 41.7-138.7 -77.0 150.5 -6.1 45.2 86.3 31 54 A T + 0 0 17 46,-0.3 -12,-0.0 -2,-0.2 48,-0.0 -0.727 64.3 12.9-115.7 162.0 -8.7 44.7 83.6 32 55 A H + 0 0 78 -2,-0.3 -1,-0.2 1,-0.1 -13,-0.0 0.858 66.9 151.8 45.8 49.3 -11.3 46.8 81.8 33 56 A a > - 0 0 3 1,-0.3 3,-0.6 -3,-0.2 36,-0.4 0.527 42.1-143.9 -83.1 -8.2 -9.9 50.1 83.0 34 57 A G G > - 0 0 31 1,-0.2 3,-2.1 2,-0.1 -1,-0.3 -0.337 56.1 -18.2 75.3-157.2 -11.1 52.0 80.0 35 58 A A G > S+ 0 0 10 1,-0.3 3,-1.8 30,-0.2 4,-0.3 0.728 124.4 69.0 -62.4 -30.6 -9.3 54.9 78.4 36 59 A I G X S+ 0 0 0 30,-1.6 3,-1.2 -3,-0.6 -1,-0.3 0.675 78.8 81.8 -64.4 -16.7 -7.0 55.7 81.3 37 60 A Q G < S+ 0 0 22 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.822 92.7 50.0 -56.6 -26.6 -5.2 52.4 80.7 38 61 A Y G < S+ 0 0 14 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.584 122.3 29.6 -89.5 -13.7 -3.3 54.3 78.0 39 62 A E X + 0 0 11 -3,-1.2 3,-2.3 -4,-0.3 -1,-0.2 -0.395 59.9 164.0-142.3 68.2 -2.3 57.2 80.3 40 63 A P G > S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -38,-0.1 0.643 74.3 70.3 -57.6 -11.5 -2.0 56.1 83.9 41 64 A Q G 3 S+ 0 0 29 1,-0.2 -39,-1.9 -40,-0.1 54,-0.1 0.516 85.9 68.2 -84.0 -5.6 -0.1 59.4 84.5 42 65 A S G < + 0 0 14 -3,-2.3 2,-2.0 -41,-0.2 -1,-0.2 -0.043 47.2 127.4-116.3 29.9 -3.1 61.5 84.1 43 66 A V < + 0 0 1 -3,-0.5 128,-2.0 -41,-0.4 2,-0.4 -0.537 42.3 154.1 -81.5 71.9 -5.5 60.8 87.1 44 67 A E E +C 170 0B 50 -2,-2.0 126,-0.2 126,-0.2 -2,-0.1 -0.840 11.7 156.9-107.1 140.1 -5.6 64.6 87.8 45 68 A G E -C 169 0B 8 124,-3.0 124,-2.5 -2,-0.4 18,-0.1 -0.855 47.0 -51.1-148.3-177.4 -8.4 66.4 89.6 46 69 A P E -C 168 0B 48 0, 0.0 122,-0.3 0, 0.0 3,-0.2 -0.348 57.4-128.8 -60.1 139.7 -9.4 69.4 91.7 47 70 A D S S+ 0 0 53 120,-1.9 6,-0.4 6,-0.2 122,-0.1 -0.036 75.0 76.6 -75.4-175.0 -7.2 70.0 94.6 48 71 A G >> - 0 0 32 1,-0.3 4,-2.3 4,-0.1 3,-0.7 0.502 69.3-160.2 90.9 5.8 -8.3 70.6 98.2 49 72 A F T 34 + 0 0 17 1,-0.3 -1,-0.3 -3,-0.2 4,-0.2 -0.421 66.7 15.9 -60.8 134.1 -9.2 67.0 99.3 50 73 A P T 34 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 70,-0.1 -0.999 129.7 44.4 -95.0 -9.6 -11.0 66.3 101.6 51 74 A V T <4 S- 0 0 135 -3,-0.7 -2,-0.2 0, 0.0 2,-0.2 0.939 140.0 -11.6 -61.8 -45.1 -12.7 69.7 102.2 52 75 A T S < S+ 0 0 86 -4,-2.3 -4,-0.1 3,-0.0 -5,-0.0 -0.236 98.8 102.1-119.4-146.5 -13.2 70.1 98.4 53 76 A G S S- 0 0 14 -6,-0.4 -6,-0.2 -4,-0.2 -5,-0.1 -0.456 83.9 -9.0 100.0-171.4 -11.5 67.9 95.9 54 77 A P S S- 0 0 0 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.335 81.1-115.6 -58.4 138.1 -13.1 65.0 94.0 55 78 A R > - 0 0 135 1,-0.2 3,-2.6 3,-0.1 8,-0.1 -0.334 41.8 -73.5 -76.8 159.6 -16.5 64.2 95.3 56 79 A D T 3 S+ 0 0 83 1,-0.3 63,-0.2 2,-0.2 -1,-0.2 -0.180 123.4 25.2 -50.5 138.0 -17.5 60.9 97.0 57 80 A G T 3 S+ 0 0 20 61,-2.3 -1,-0.3 -3,-0.1 61,-0.1 0.277 117.1 67.4 83.5 -10.6 -17.7 58.0 94.5 58 81 A K <>> + 0 0 53 -3,-2.6 5,-1.0 60,-0.1 4,-0.7 0.051 66.6 102.1-123.0 23.7 -15.3 59.9 92.2 59 82 A I T >45S+ 0 0 0 59,-0.4 3,-0.6 2,-0.2 -3,-0.1 0.955 80.5 48.2 -71.4 -50.3 -12.1 59.7 94.3 60 83 A A T 345S+ 0 0 3 1,-0.3 113,-0.3 10,-0.1 -1,-0.2 0.821 120.9 38.2 -61.0 -32.6 -10.4 56.9 92.4 61 84 A S T >45S- 0 0 1 7,-0.1 3,-2.2 111,-0.1 6,-0.3 0.551 98.0-137.6 -90.9 -11.6 -11.1 58.6 89.0 62 85 A A T <<5 - 0 0 2 -4,-0.7 -3,-0.2 -3,-0.6 3,-0.1 0.758 65.6 -68.8 55.4 28.0 -10.5 62.1 90.4 63 86 A E T 3 S+ 0 0 44 1,-0.2 3,-0.9 -2,-0.2 -30,-0.2 0.840 99.7 57.0 -68.2 -29.6 -13.7 61.4 82.2 66 89 A L G 3 S+ 0 0 8 1,-0.2 -30,-1.6 -24,-0.1 3,-0.3 0.739 108.3 47.1 -68.4 -24.5 -10.9 59.0 81.0 67 90 A A G X + 0 0 0 -3,-0.7 3,-1.8 -6,-0.3 4,-0.3 0.109 67.0 124.3-112.2 21.3 -10.8 57.1 84.3 68 91 A A G X + 0 0 12 -3,-0.9 3,-1.4 1,-0.3 4,-0.2 0.785 68.3 63.7 -51.3 -33.0 -14.5 56.5 85.1 69 92 A A G > S+ 0 0 20 -36,-0.4 3,-1.5 1,-0.3 -1,-0.3 0.775 87.9 70.6 -67.4 -24.6 -14.0 52.7 85.4 70 93 A L G < S+ 0 0 2 -3,-1.8 -1,-0.3 -37,-0.3 -2,-0.2 0.691 84.0 71.5 -67.3 -16.8 -11.7 53.2 88.5 71 94 A D G < S+ 0 0 15 -3,-1.4 47,-0.3 -4,-0.3 -1,-0.3 0.622 70.5 106.3 -76.7 -13.7 -14.6 54.2 90.6 72 95 A E < - 0 0 16 -3,-1.5 2,-0.3 -4,-0.2 44,-0.1 -0.405 52.3-170.1 -63.0 144.3 -16.1 50.7 90.7 73 96 A Q + 0 0 0 42,-0.2 2,-0.3 -2,-0.0 -2,-0.0 -0.845 22.3 134.1-148.1 103.7 -15.6 49.2 94.1 74 97 A T > - 0 0 0 -2,-0.3 3,-0.6 677,-0.0 4,-0.4 -0.907 63.0-102.3-135.8 170.7 -16.3 45.6 95.1 75 98 A A T 3 S+ 0 0 11 -2,-0.3 40,-0.1 1,-0.2 3,-0.0 0.738 119.3 32.3 -64.3 -23.8 -14.3 43.0 97.1 76 99 A D T 3 S+ 0 0 19 1,-0.1 187,-0.2 38,-0.1 -1,-0.2 0.412 91.5 92.0-116.9 4.3 -13.1 41.2 94.0 77 100 A R S < S+ 0 0 41 -3,-0.6 -46,-0.3 185,-0.1 2,-0.3 0.848 82.2 49.7 -71.2 -35.1 -12.8 43.9 91.3 78 101 A W S S- 0 0 4 -4,-0.4 2,-0.2 -48,-0.1 -48,-0.1 -0.794 83.6-106.8-119.5 146.9 -9.2 44.9 91.7 79 102 A V - 0 0 22 -2,-0.3 2,-0.4 -64,-0.1 96,-0.3 -0.477 38.2-145.2 -62.3 130.9 -5.8 43.2 91.9 80 103 A K - 0 0 38 -2,-0.2 96,-0.3 94,-0.1 -1,-0.0 -0.880 5.4-149.1-108.7 137.2 -4.5 43.4 95.5 81 104 A R E -d 176 0B 20 94,-2.4 96,-1.9 -2,-0.4 -69,-0.0 -0.885 24.3-108.8-109.1 131.6 -0.8 43.8 96.4 82 105 A P E +d 177 0B 64 0, 0.0 2,-0.3 0, 0.0 96,-0.2 -0.215 46.9 161.7 -56.2 142.0 0.7 42.3 99.6 83 106 A I E -d 178 0B 0 94,-1.8 96,-2.4 5,-0.0 2,-0.3 -0.969 24.2-147.2-153.8 163.6 1.7 44.8 102.3 84 107 A Q - 0 0 87 -2,-0.3 64,-0.2 94,-0.2 94,-0.0 -0.947 28.7-100.8-131.8 157.3 2.6 44.9 106.0 85 108 A A S S+ 0 0 26 -2,-0.3 65,-0.1 66,-0.2 -1,-0.0 -0.216 83.5 37.9 -66.7 167.4 2.1 47.5 108.7 86 109 A G E S+ B 0 148A 18 62,-3.3 62,-2.7 2,-0.0 -2,-0.1 -0.421 105.3 10.6 87.2-164.7 5.0 49.7 109.8 87 110 A P E S+ B 0 147A 105 0, 0.0 2,-0.3 0, 0.0 60,-0.2 -0.209 70.2 161.1 -50.6 121.8 7.8 51.3 107.7 88 111 A Q E - B 0 146A 28 58,-2.8 58,-3.0 -5,-0.0 2,-0.5 -0.986 33.5-128.6-143.1 152.4 7.1 51.0 104.0 89 112 A T E - 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