==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR-BINDING PROTEIN 05-JAN-07 2JDA . COMPND 2 MOLECULE: YECBM32; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR D.W.ABBOTT,A.B.BORASTON . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 38.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 0.7 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 . 30 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 2 6 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 2 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 7 A T 0 0 126 0, 0.0 2,-0.2 0, 0.0 127,-0.2 0.000 360.0 360.0 360.0 153.3 86.5 -10.5 19.4 2 8 A A - 0 0 9 125,-2.0 2,-0.5 1,-0.1 125,-0.5 -0.500 360.0-107.1 -67.6 137.4 83.1 -9.5 18.2 3 9 A Q - 0 0 118 -2,-0.2 42,-1.4 123,-0.1 2,-0.7 -0.565 24.0-150.8 -76.0 120.5 82.0 -11.6 15.2 4 10 A I E +A 44 0A 37 -2,-0.5 40,-0.3 40,-0.2 3,-0.1 -0.841 20.6 173.6 -86.9 112.0 81.9 -9.6 12.0 5 11 A V E + 0 0 68 38,-2.3 2,-0.3 -2,-0.7 39,-0.2 0.652 62.2 19.0 -95.2 -15.4 79.2 -11.3 9.9 6 12 A A E -A 43 0A 38 37,-1.4 37,-3.0 2,-0.0 2,-0.4 -0.989 57.7-165.7-158.6 139.2 79.1 -9.0 6.9 7 13 A V E +A 42 0A 34 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.992 11.0 175.9-126.7 137.0 81.3 -6.4 5.4 8 14 A T E -A 41 0A 66 33,-2.0 33,-3.0 -2,-0.4 2,-0.3 -0.922 6.1-173.7-131.3 163.0 80.3 -3.8 2.8 9 15 A A E -A 40 0A 24 -2,-0.3 31,-0.2 31,-0.2 3,-0.1 -0.990 39.4-114.6-153.6 162.3 82.2 -1.0 1.2 10 16 A S S S- 0 0 54 29,-2.3 2,-0.3 -2,-0.3 30,-0.1 0.787 93.2 -40.6 -61.8 -33.1 82.0 2.0 -1.1 11 17 A G - 0 0 26 28,-0.4 2,-0.3 -3,-0.0 -1,-0.2 -0.944 56.4-151.9 179.2 177.9 84.3 0.3 -3.6 12 18 A Y - 0 0 117 -2,-0.3 2,-1.2 -3,-0.1 22,-0.2 -0.969 39.3 -83.5-165.0 164.3 87.3 -1.9 -3.9 13 19 A D B >> +H 18 0B 32 20,-1.7 5,-2.0 5,-0.6 4,-0.8 -0.633 44.3 178.6 -79.9 96.4 90.2 -2.8 -6.3 14 20 A S T 45S+ 0 0 84 -2,-1.2 -1,-0.2 3,-0.2 5,-0.1 0.689 72.8 61.1 -77.4 -21.6 88.5 -5.3 -8.4 15 21 A E T 45S+ 0 0 182 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.880 118.0 29.0 -71.6 -40.0 91.5 -5.9 -10.7 16 22 A K T 45S- 0 0 158 2,-0.0 -2,-0.2 -3,-0.0 -1,-0.2 0.524 108.6-124.0 -93.5 -8.1 93.6 -7.2 -7.8 17 23 A G T <5 + 0 0 32 -4,-0.8 2,-2.0 1,-0.2 -3,-0.2 0.846 48.9 161.9 68.0 35.4 90.6 -8.5 -5.8 18 24 A H B < -H 13 0B 28 -5,-2.0 15,-1.7 15,-0.1 -5,-0.6 -0.518 27.6-178.9 -84.6 68.5 91.3 -6.5 -2.7 19 25 A V > - 0 0 50 -2,-2.0 3,-1.5 13,-0.2 4,-0.2 -0.251 40.7-108.1 -77.8 158.5 87.7 -7.0 -1.7 20 26 A P G > S+ 0 0 19 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.885 114.8 62.1 -55.2 -39.5 85.9 -5.8 1.5 21 27 A A G > S+ 0 0 62 1,-0.3 3,-1.7 -14,-0.2 11,-0.1 0.743 87.6 74.3 -61.4 -22.8 85.8 -9.2 3.1 22 28 A N G X S+ 0 0 29 -3,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.658 83.7 68.0 -61.1 -18.8 89.6 -9.3 3.1 23 29 A I G < S+ 0 0 0 -3,-2.5 102,-2.0 -4,-0.2 -1,-0.3 0.639 110.9 30.6 -76.6 -12.5 89.5 -6.7 6.0 24 30 A A G < S+ 0 0 35 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.017 86.0 102.8-135.9 27.0 88.0 -9.3 8.3 25 31 A D S < S- 0 0 70 -3,-0.6 -3,-0.1 2,-0.2 -2,-0.1 0.366 88.4-114.7 -98.7 3.5 89.4 -12.7 7.2 26 32 A G S S+ 0 0 69 1,-0.2 2,-0.6 99,-0.2 98,-0.1 0.534 83.5 112.5 76.1 10.8 92.0 -13.1 9.9 27 33 A D > - 0 0 46 -5,-0.2 3,-1.6 96,-0.2 -2,-0.2 -0.933 51.1-164.2-121.1 109.9 94.8 -12.9 7.3 28 34 A V T 3 S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.3 96,-0.1 0.615 88.1 67.7 -69.0 -11.5 97.1 -9.9 7.4 29 35 A K T 3 S+ 0 0 164 94,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.552 92.7 67.1 -82.7 -13.3 98.3 -10.7 3.9 30 36 A T < - 0 0 32 -3,-1.6 2,-0.3 93,-0.2 -5,-0.1 -0.893 69.5-176.3-104.7 147.0 94.9 -10.0 2.3 31 37 A R - 0 0 60 -2,-0.4 2,-0.4 -14,-0.1 92,-0.2 -0.945 30.0-128.7-138.7 153.9 93.6 -6.4 2.2 32 38 A W E +B 122 0A 0 90,-2.1 90,-2.4 -2,-0.3 2,-0.3 -0.890 35.3 178.7 -89.0 137.7 90.7 -4.2 1.3 33 39 A A E +B 121 0A 4 -15,-1.7 -20,-1.7 -2,-0.4 2,-0.3 -0.995 8.8 164.1-144.2 138.8 91.7 -1.3 -0.8 34 40 A A E -B 120 0A 4 86,-2.1 86,-2.9 -2,-0.3 2,-0.3 -0.974 28.6-121.9-149.7 155.3 89.7 1.5 -2.5 35 41 A S E +B 119 0A 66 -2,-0.3 84,-0.2 84,-0.2 2,-0.1 -0.760 68.0 3.8-109.7 148.7 90.6 4.9 -4.0 36 42 A G S S- 0 0 24 82,-2.3 2,-0.5 -2,-0.3 77,-0.2 -0.291 119.0 -15.7 76.6-169.4 89.4 8.4 -3.0 37 43 A E S S+ 0 0 162 75,-0.2 2,-0.2 -2,-0.1 75,-0.2 -0.612 87.4 161.0 -70.3 123.3 87.1 9.1 -0.1 38 44 A S E - C 0 111A 8 73,-2.2 73,-2.6 -2,-0.5 2,-0.3 -0.690 28.4-145.9-134.9 177.7 85.7 5.6 0.7 39 45 A W E - C 0 110A 87 71,-0.3 -29,-2.3 -2,-0.2 -28,-0.4 -0.989 3.6-162.9-152.8 152.4 84.0 3.7 3.5 40 46 A V E -AC 9 109A 0 69,-2.1 69,-2.8 -2,-0.3 2,-0.4 -0.995 14.5-157.3-135.4 133.5 84.0 0.1 4.8 41 47 A Q E -AC 8 108A 32 -33,-3.0 -33,-2.0 -2,-0.4 2,-0.5 -0.962 2.5-157.6-124.3 127.5 81.2 -1.1 7.1 42 48 A L E -AC 7 107A 0 65,-3.1 65,-2.4 -2,-0.4 2,-0.5 -0.917 5.3-159.7-106.4 121.0 81.4 -4.0 9.5 43 49 A E E -AC 6 106A 59 -37,-3.0 -38,-2.3 -2,-0.5 -37,-1.4 -0.927 10.7-151.4-103.3 126.2 78.2 -5.7 10.7 44 50 A L E -A 4 0A 0 61,-3.0 -40,-0.2 -2,-0.5 3,-0.1 -0.510 29.5-106.6 -86.8 167.2 78.4 -7.6 13.9 45 51 A D E S- 0 0 73 -42,-1.4 2,-0.3 -2,-0.2 -41,-0.1 0.845 96.9 -10.0 -65.5 -32.0 76.2 -10.6 14.7 46 52 A K E S- 0 0 114 -43,-0.2 2,-0.2 58,-0.1 -1,-0.2 -0.983 87.9 -74.2-154.5 165.2 74.2 -8.5 17.2 47 53 A E E + 0 0 103 -2,-0.3 2,-0.3 -3,-0.1 58,-0.3 -0.436 68.9 148.9 -59.0 129.5 74.1 -5.2 18.9 48 54 A Q E - C 0 104A 32 56,-2.0 56,-2.5 -2,-0.2 2,-0.2 -0.975 49.7 -70.1-160.6 169.9 76.7 -5.4 21.6 49 55 A S E - C 0 103A 83 -2,-0.3 2,-0.5 54,-0.2 54,-0.2 -0.498 40.9-160.4 -75.2 134.3 79.2 -3.4 23.7 50 56 A I E + C 0 102A 0 52,-3.1 52,-1.8 -2,-0.2 3,-0.1 -0.982 23.5 159.1-118.8 125.7 82.3 -2.1 21.8 51 57 A E E + 0 0 121 -2,-0.5 48,-0.8 1,-0.3 2,-0.3 0.569 62.7 11.7-123.2 -18.2 85.4 -1.2 23.7 52 58 A N E - C 0 98A 7 46,-0.2 76,-2.6 2,-0.0 2,-0.4 -0.989 50.5-149.8-155.5 161.0 88.2 -1.3 21.2 53 59 A I E -DC 127 97A 1 44,-2.1 44,-3.1 -2,-0.3 2,-0.5 -0.991 12.6-150.4-130.3 128.0 89.1 -1.6 17.5 54 60 A L E -DC 126 96A 26 72,-2.8 72,-2.1 -2,-0.4 2,-0.4 -0.858 18.0-171.1 -90.5 125.7 92.3 -3.2 16.2 55 61 A I E -DC 125 95A 1 40,-2.4 40,-2.3 -2,-0.5 70,-0.2 -0.984 13.6-175.2-123.3 130.2 93.4 -1.7 12.9 56 62 A V E -D 124 0A 21 68,-2.6 67,-2.3 -2,-0.4 68,-1.2 -0.831 17.2-164.9-122.8 84.9 96.2 -3.1 10.8 57 63 A P E -D 122 0A 5 0, 0.0 65,-0.3 0, 0.0 2,-0.2 -0.409 27.6 -97.4 -73.5 155.3 96.8 -0.7 7.9 58 64 A F S S- 0 0 36 63,-2.1 63,-0.2 1,-0.2 5,-0.1 -0.458 99.3 -4.7 -72.4 136.8 98.7 -1.6 4.8 59 65 A K S >> S+ 0 0 88 -2,-0.2 4,-1.6 1,-0.1 3,-1.6 0.904 79.0 178.8 47.1 53.3 102.4 -0.6 4.6 60 66 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.784 70.5 56.5 -62.3 -31.4 102.1 1.3 7.9 61 67 A T T 34 S+ 0 0 62 1,-0.2 28,-0.1 29,-0.1 3,-0.1 0.658 117.7 35.9 -77.9 -11.7 105.7 2.6 8.2 62 68 A E T <4 S+ 0 0 117 -3,-1.6 2,-0.4 1,-0.2 -1,-0.2 0.641 121.0 39.7-100.3 -25.8 105.4 4.2 4.7 63 69 A R < - 0 0 46 -4,-1.6 2,-0.6 -5,-0.1 -1,-0.2 -0.989 59.1-154.6-141.8 124.8 101.8 5.4 4.7 64 70 A K - 0 0 54 -2,-0.4 51,-0.9 -3,-0.1 2,-0.4 -0.887 22.9-140.8-101.2 121.6 99.5 7.0 7.3 65 71 A L E -E 114 0A 3 -2,-0.6 22,-2.1 49,-0.2 2,-0.5 -0.685 6.0-145.0 -85.1 132.2 95.8 6.4 6.7 66 72 A K E + F 0 86A 82 47,-2.8 46,-2.9 -2,-0.4 47,-0.3 -0.843 38.3 144.0 -95.8 130.3 93.4 9.3 7.3 67 73 A F E -EF 111 85A 0 18,-2.3 18,-2.5 -2,-0.5 2,-0.3 -0.987 39.7-140.4-161.7 166.1 90.0 8.1 8.6 68 74 A S E -E 110 0A 4 42,-2.6 42,-1.9 -2,-0.3 2,-0.4 -0.925 18.4-143.2-129.2 151.7 87.0 8.5 10.8 69 75 A I E +EF 109 82A 1 13,-2.9 12,-3.0 -2,-0.3 13,-1.5 -0.985 18.4 179.0-125.1 133.1 85.0 5.9 12.8 70 76 A F E -EF 108 80A 24 38,-2.7 38,-2.5 -2,-0.4 2,-0.3 -0.883 10.2-155.7-128.2 153.6 81.3 5.8 13.3 71 77 A Y E +EF 107 79A 39 8,-2.6 8,-2.2 -2,-0.3 2,-0.3 -0.944 15.4 166.0-131.4 158.3 78.9 3.4 15.0 72 78 A S E -E 106 0A 5 34,-1.9 34,-2.5 -2,-0.3 33,-2.2 -0.989 35.1-149.3-162.5 153.0 75.2 2.6 14.6 73 79 A N S S+ 0 0 67 4,-0.3 -1,-0.1 -2,-0.3 -26,-0.1 0.623 103.9 35.8 -96.0 -24.4 72.5 0.2 15.6 74 80 A D S S- 0 0 70 3,-0.4 4,-0.1 32,-0.1 30,-0.0 0.517 97.5-124.6-106.3 -10.5 70.5 0.6 12.4 75 81 A G S S+ 0 0 20 2,-0.3 3,-0.1 31,-0.1 -3,-0.0 0.579 100.0 69.7 76.0 9.3 73.1 1.1 9.7 76 82 A K S S+ 0 0 165 1,-0.3 2,-0.5 0, 0.0 -1,-0.1 0.571 89.7 52.3-126.3 -31.3 71.4 4.4 8.7 77 83 A N S S- 0 0 114 2,-0.0 -3,-0.4 0, 0.0 2,-0.3 -0.973 73.8-164.1-121.0 122.0 72.1 6.9 11.6 78 84 A W - 0 0 68 -2,-0.5 -6,-0.2 -6,-0.1 29,-0.0 -0.837 15.6-166.3-117.1 143.7 75.7 7.2 12.6 79 85 A Q E -F 71 0A 115 -8,-2.2 -8,-2.6 -2,-0.3 2,-0.3 -0.961 30.2-114.0-120.9 141.3 77.5 8.6 15.6 80 86 A P E -F 70 0A 44 0, 0.0 -10,-0.3 0, 0.0 3,-0.1 -0.579 24.0-177.2 -78.2 137.7 81.2 9.3 15.7 81 87 A L E S- 0 0 8 -12,-3.0 2,-0.3 1,-0.4 -11,-0.2 0.786 84.3 -25.8 -84.6 -38.9 83.7 7.5 17.8 82 88 A A E -F 69 0A 7 -13,-1.5 -13,-2.9 -3,-0.1 -1,-0.4 -0.898 62.4-147.9-168.7 148.2 86.4 9.8 16.3 83 89 A E E S+ 0 0 129 -2,-0.3 -15,-0.2 -15,-0.2 -13,-0.0 -0.920 72.2 16.1-123.0 147.4 86.9 11.9 13.2 84 90 A G E S+ 0 0 65 -2,-0.3 -16,-0.2 1,-0.2 -1,-0.2 0.843 78.2 158.8 64.4 38.7 90.0 12.9 11.2 85 91 A L E -F 67 0A 19 -18,-2.5 -18,-2.3 -3,-0.2 2,-0.4 -0.508 27.8-151.3 -77.8 157.3 92.4 10.3 12.8 86 92 A E E -F 66 0A 80 -20,-0.2 -20,-0.2 -2,-0.2 2,-0.1 -0.997 17.9-121.2-124.9 142.1 95.6 9.2 11.2 87 93 A T - 0 0 1 -22,-2.1 2,-0.2 -2,-0.4 -31,-0.0 -0.342 35.6-103.8 -69.7 156.4 97.2 5.8 11.7 88 94 A S - 0 0 11 1,-0.1 3,-0.2 -24,-0.1 -25,-0.1 -0.561 17.1-159.6 -81.3 146.5 100.7 5.7 13.1 89 95 A S + 0 0 35 115,-0.4 -1,-0.1 -2,-0.2 144,-0.1 0.251 66.6 104.7-102.1 14.0 103.8 4.9 11.0 90 96 A A S S- 0 0 24 142,-0.5 2,-0.3 114,-0.2 -1,-0.1 0.851 89.0 -17.3 -67.9 -39.0 105.8 3.9 14.0 91 97 A D - 0 0 28 -3,-0.2 3,-0.3 141,-0.1 -1,-0.1 -0.890 59.4-103.6-157.1-177.9 105.7 0.2 13.4 92 98 A K S S+ 0 0 159 -2,-0.3 -33,-0.1 1,-0.2 -3,-0.0 0.165 89.0 94.3-102.4 15.7 104.1 -2.8 11.6 93 99 A N S S- 0 0 104 1,-0.2 -1,-0.2 -33,-0.0 2,-0.1 0.528 83.7-125.7 -88.1 -5.8 102.2 -4.1 14.6 94 100 A G - 0 0 10 -3,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.275 28.0 -93.6 78.5 178.4 98.8 -2.4 14.1 95 101 A E E -C 55 0A 18 -40,-2.3 -40,-2.4 38,-0.1 2,-0.7 -0.991 13.6-139.3-137.5 145.3 97.1 -0.3 16.7 96 102 A K E -Cg 54 135A 41 38,-0.8 40,-2.7 -2,-0.3 2,-0.4 -0.910 25.3-159.2-106.2 107.4 94.5 -0.9 19.4 97 103 A L E -Cg 53 136A 1 -44,-3.1 -44,-2.1 -2,-0.7 2,-0.3 -0.752 9.9-169.6 -90.0 132.7 92.1 2.1 19.4 98 104 A T E +Cg 52 137A 23 38,-2.5 40,-2.8 -2,-0.4 41,-0.5 -0.827 13.9 153.6-126.5 163.4 90.1 2.7 22.6 99 105 A F E - 0 0 19 -48,-0.8 3,-0.1 -2,-0.3 -17,-0.1 -0.960 57.0 -55.4-173.8 162.3 87.3 4.9 23.5 100 106 A T E S- 0 0 110 39,-0.4 -50,-0.1 -2,-0.3 -48,-0.0 -0.436 75.1-100.6 -51.7 125.5 84.3 5.2 25.9 101 107 A P E - 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