==== 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 2JD9 . COMPND 2 MOLECULE: YECBM32; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA ENTEROCOLITICA; . AUTHOR D.W.ABBOTT,A.B.BORASTON . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 38.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 1 0.7 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 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 0 1 3 0 1 0 0 0 0 0 1 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 1 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 0 113 0, 0.0 127,-0.2 0, 0.0 128,-0.1 0.000 360.0 360.0 360.0 168.5 24.0 14.2 19.2 2 8 A A - 0 0 10 125,-2.4 2,-0.6 1,-0.1 125,-0.4 -0.311 360.0-105.3 -61.1 144.0 23.0 10.6 18.3 3 9 A Q - 0 0 118 123,-0.1 42,-2.1 43,-0.0 2,-0.5 -0.655 26.8-153.0 -83.9 117.9 25.0 9.2 15.4 4 10 A I E +A 44 0A 26 -2,-0.6 40,-0.3 40,-0.2 3,-0.1 -0.780 15.8 177.1 -81.8 124.8 23.1 8.9 12.1 5 11 A V E + 0 0 85 38,-2.8 2,-0.3 -2,-0.5 39,-0.2 0.638 64.3 16.1-103.3 -18.2 24.6 6.1 10.0 6 12 A A E -A 43 0A 38 37,-1.2 37,-2.8 2,-0.0 2,-0.4 -0.979 56.4-163.8-158.6 139.2 22.2 6.2 6.9 7 13 A V E +A 42 0A 30 -2,-0.3 2,-0.3 35,-0.2 35,-0.2 -0.975 12.9 177.3-124.7 138.9 19.7 8.5 5.5 8 14 A T E -A 41 0A 63 33,-2.3 33,-3.1 -2,-0.4 2,-0.3 -0.952 4.8-170.7-133.3 162.7 17.1 7.5 2.9 9 15 A A E -A 40 0A 24 -2,-0.3 31,-0.2 31,-0.2 3,-0.1 -0.991 37.8-117.0-149.8 157.2 14.2 9.5 1.2 10 16 A S S S- 0 0 55 29,-2.1 2,-0.3 -2,-0.3 30,-0.1 0.806 94.5 -39.4 -54.5 -37.4 11.1 9.1 -1.0 11 17 A G - 0 0 25 28,-0.5 2,-0.3 -3,-0.0 -1,-0.2 -0.975 58.6-147.5-176.3 178.7 12.9 11.3 -3.6 12 18 A Y - 0 0 118 -2,-0.3 2,-1.4 -3,-0.1 22,-0.2 -0.988 37.4 -88.9-162.5 162.4 15.2 14.3 -4.0 13 19 A D B >> +H 18 0B 29 20,-1.6 5,-2.3 5,-0.7 4,-0.6 -0.644 45.0 176.1 -79.6 94.1 16.0 17.2 -6.2 14 20 A S T 45S+ 0 0 82 -2,-1.4 -1,-0.2 3,-0.2 5,-0.1 0.798 71.5 61.3 -76.1 -26.2 18.6 15.5 -8.4 15 21 A E T 45S+ 0 0 183 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.856 117.1 30.0 -66.0 -38.7 19.1 18.4 -10.8 16 22 A K T 45S- 0 0 158 -3,-0.2 -1,-0.2 2,-0.0 -2,-0.2 0.401 110.1-120.0-101.3 -3.8 20.3 20.6 -8.0 17 23 A G T <5 + 0 0 35 -4,-0.6 2,-1.7 1,-0.2 -3,-0.2 0.860 52.4 159.2 68.1 34.3 21.8 17.8 -5.9 18 24 A H B < -H 13 0B 28 -5,-2.3 15,-1.9 15,-0.1 -5,-0.7 -0.510 27.0-179.9 -87.5 68.3 19.7 18.4 -2.8 19 25 A V > - 0 0 51 -2,-1.7 3,-1.5 13,-0.2 4,-0.2 -0.189 40.4-112.1 -72.2 153.7 20.3 14.8 -1.7 20 26 A P G > S+ 0 0 22 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.875 113.1 62.7 -53.1 -45.0 19.0 13.1 1.5 21 27 A A G > S+ 0 0 60 1,-0.3 3,-1.7 -14,-0.2 4,-0.2 0.690 85.3 79.3 -58.6 -20.0 22.5 12.9 3.2 22 28 A N G X S+ 0 0 27 -3,-1.5 3,-0.6 1,-0.3 -1,-0.3 0.696 82.8 63.8 -55.7 -21.8 22.5 16.7 3.1 23 29 A I G < S+ 0 0 1 -3,-2.1 102,-2.1 -4,-0.2 -1,-0.3 0.725 107.5 40.3 -75.5 -20.1 20.3 16.6 6.1 24 30 A A G < S+ 0 0 42 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.194 86.0 95.0-114.9 10.4 22.9 14.9 8.3 25 31 A D S < S- 0 0 65 -3,-0.6 -1,-0.1 98,-0.3 -2,-0.1 0.393 88.1-121.7 -91.0 9.3 26.1 16.7 7.2 26 32 A G S S+ 0 0 64 -3,-0.2 2,-0.6 1,-0.2 98,-0.1 0.572 76.5 121.9 61.0 10.4 26.3 19.4 9.9 27 33 A D > - 0 0 55 -5,-0.3 3,-1.5 96,-0.2 -2,-0.2 -0.892 49.0-165.6-111.3 109.1 26.2 22.0 7.1 28 34 A V T 3 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.3 96,-0.1 0.636 87.4 66.1 -64.8 -14.4 23.4 24.5 7.2 29 35 A K T 3 S+ 0 0 172 94,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.569 94.5 65.4 -83.1 -18.3 24.3 25.5 3.6 30 36 A T < - 0 0 34 -3,-1.5 2,-0.3 93,-0.2 -12,-0.1 -0.794 65.9-178.0-102.4 160.4 23.2 22.1 2.2 31 37 A R - 0 0 61 -2,-0.3 2,-0.4 -14,-0.2 92,-0.2 -0.991 30.5-127.5-152.3 150.8 19.8 20.6 2.1 32 38 A W E +B 122 0A 0 90,-2.2 90,-2.6 -2,-0.3 2,-0.3 -0.846 37.1 179.7 -85.3 137.0 17.6 17.7 1.2 33 39 A A E +B 121 0A 4 -15,-1.9 -20,-1.6 -2,-0.4 2,-0.3 -0.992 11.1 163.1-142.0 141.6 14.6 18.8 -0.9 34 40 A A E -B 120 0A 4 86,-2.2 86,-3.3 -2,-0.3 2,-0.3 -0.989 27.3-125.7-150.9 156.4 11.7 17.0 -2.5 35 41 A S E +B 119 0A 62 -2,-0.3 84,-0.2 84,-0.2 2,-0.1 -0.764 67.8 7.4-107.7 147.7 8.3 18.0 -4.0 36 42 A G S S- 0 0 28 82,-2.2 2,-0.5 -2,-0.3 77,-0.1 -0.452 120.3 -13.8 84.5-162.3 4.8 16.7 -3.1 37 43 A E S S+ 0 0 162 75,-0.1 2,-0.2 -2,-0.1 75,-0.2 -0.707 88.0 162.9 -77.7 123.3 4.2 14.4 -0.2 38 44 A S E - C 0 111A 8 73,-2.9 73,-2.6 -2,-0.5 2,-0.3 -0.717 26.9-149.8-134.1 171.6 7.7 13.1 0.7 39 45 A W E - C 0 110A 85 71,-0.2 -29,-2.1 -2,-0.2 -28,-0.5 -0.987 5.0-166.0-150.2 153.4 9.7 11.4 3.4 40 46 A V E -AC 9 109A 1 69,-1.9 69,-2.8 -2,-0.3 2,-0.4 -0.996 14.6-161.5-134.3 137.9 13.2 11.3 4.9 41 47 A Q E -AC 8 108A 31 -33,-3.1 -33,-2.3 -2,-0.4 2,-0.4 -0.978 4.3-157.4-129.5 135.1 14.4 8.6 7.2 42 48 A L E -AC 7 107A 1 65,-3.0 65,-2.3 -2,-0.4 2,-0.5 -0.934 5.6-155.1-113.9 132.6 17.3 8.6 9.5 43 49 A E E -AC 6 106A 56 -37,-2.8 -38,-2.8 -2,-0.4 -37,-1.2 -0.928 13.7-145.0-110.8 124.9 18.9 5.4 10.8 44 50 A L E -A 4 0A 0 61,-3.0 -40,-0.2 -2,-0.5 3,-0.1 -0.549 25.0-111.8 -83.3 158.8 20.8 5.6 14.1 45 51 A D E S- 0 0 78 -42,-2.1 2,-0.3 -2,-0.2 -41,-0.1 0.842 97.5 -3.7 -52.6 -38.8 23.9 3.6 14.9 46 52 A K E S- 0 0 119 -43,-0.2 -1,-0.2 58,-0.1 58,-0.1 -0.978 86.9 -83.2-151.4 157.6 21.9 1.6 17.4 47 53 A E E + 0 0 102 -2,-0.3 2,-0.3 -3,-0.1 58,-0.3 -0.424 67.4 149.7 -56.9 132.3 18.4 1.4 19.0 48 54 A Q E - C 0 104A 30 56,-1.7 56,-2.1 -2,-0.1 2,-0.3 -0.988 50.7 -70.7-164.0 165.6 18.5 4.0 21.8 49 55 A S E - C 0 103A 66 -2,-0.3 2,-0.4 54,-0.2 54,-0.2 -0.504 45.4-163.9 -66.4 130.1 16.5 6.4 23.9 50 56 A I E + C 0 102A 0 52,-3.2 52,-1.9 -2,-0.3 3,-0.1 -0.953 23.8 157.7-119.0 136.3 15.3 9.5 21.9 51 57 A E E + 0 0 108 -2,-0.4 48,-1.8 1,-0.3 2,-0.3 0.494 62.4 15.5-134.2 -11.6 14.1 12.7 23.5 52 58 A N E - C 0 98A 13 46,-0.2 76,-2.1 85,-0.0 2,-0.3 -0.986 49.8-156.2-150.5 160.9 14.5 15.5 21.0 53 59 A I E -DC 127 97A 0 44,-1.8 44,-3.2 -2,-0.3 2,-0.4 -0.975 13.8-145.7-135.1 143.6 15.1 16.3 17.4 54 60 A L E -DC 126 96A 9 72,-2.5 72,-2.0 -2,-0.3 2,-0.4 -0.859 16.9-171.0 -99.3 132.9 16.6 19.5 16.0 55 61 A I E -DC 125 95A 1 40,-2.4 40,-2.1 -2,-0.4 70,-0.2 -1.000 13.2-172.0-129.4 128.6 15.3 20.6 12.7 56 62 A V E -D 124 0A 9 68,-2.7 67,-2.4 -2,-0.4 68,-1.3 -0.895 20.7-163.6-116.7 91.3 16.8 23.5 10.6 57 63 A P E -D 122 0A 3 0, 0.0 2,-0.3 0, 0.0 65,-0.3 -0.368 28.6 -93.6 -74.2 156.4 14.3 24.0 7.7 58 64 A F S S- 0 0 35 63,-2.1 5,-0.2 1,-0.2 63,-0.1 -0.557 102.9 -6.3 -69.4 131.8 15.2 25.9 4.6 59 65 A K S >> S- 0 0 90 -2,-0.3 4,-2.0 1,-0.1 3,-1.8 0.918 79.4-179.2 44.7 58.9 14.3 29.6 4.7 60 66 A P T 34 S+ 0 0 15 0, 0.0 31,-0.2 0, 0.0 -1,-0.1 0.753 72.7 55.6 -65.3 -26.7 12.4 29.1 8.0 61 67 A T T 34 S+ 0 0 84 31,-0.2 28,-0.1 1,-0.2 3,-0.1 0.640 118.1 34.4 -82.5 -12.4 11.3 32.8 8.3 62 68 A E T <4 S+ 0 0 117 -3,-1.8 2,-0.4 1,-0.3 -1,-0.2 0.640 121.0 42.8-105.9 -24.5 9.6 32.7 4.9 63 69 A R < - 0 0 45 -4,-2.0 2,-0.6 -5,-0.2 -1,-0.3 -0.984 60.9-153.6-135.4 126.4 8.3 29.1 4.8 64 70 A K - 0 0 44 -2,-0.4 51,-1.0 -3,-0.1 2,-0.4 -0.860 20.7-141.9 -96.9 121.2 6.7 26.8 7.3 65 71 A L E -E 114 0A 2 -2,-0.6 22,-1.8 49,-0.2 2,-0.5 -0.603 6.3-148.3 -80.5 130.6 7.2 23.2 6.8 66 72 A K E + F 0 86A 70 47,-2.7 46,-3.1 -2,-0.4 47,-0.3 -0.890 36.2 139.7 -95.9 138.3 4.4 20.8 7.4 67 73 A F E -EF 111 85A 0 18,-1.7 18,-2.4 -2,-0.5 2,-0.3 -0.980 41.1-136.6-167.8 160.9 5.4 17.4 8.6 68 74 A S E -E 110 0A 5 42,-2.6 42,-2.3 -2,-0.3 2,-0.5 -0.929 20.5-140.2-127.6 151.7 4.8 14.5 10.8 69 75 A I E +EF 109 82A 0 13,-2.6 12,-2.7 -2,-0.3 13,-1.5 -0.978 20.8 178.2-119.2 128.9 7.4 12.5 12.8 70 76 A F E -EF 108 80A 24 38,-3.2 38,-2.5 -2,-0.5 2,-0.3 -0.847 9.1-158.3-124.7 159.1 7.5 8.8 13.2 71 77 A Y E +EF 107 79A 36 8,-2.4 8,-2.2 -2,-0.3 2,-0.3 -0.962 12.8 169.0-137.3 154.6 9.8 6.3 15.0 72 78 A S E -E 106 0A 5 34,-2.0 34,-2.7 -2,-0.3 33,-2.2 -0.991 34.3-150.2-155.4 157.3 10.5 2.6 14.7 73 79 A N S S+ 0 0 70 -2,-0.3 31,-0.1 4,-0.3 -26,-0.1 0.457 103.0 36.0-101.2 -8.7 12.9 -0.2 15.8 74 80 A D S S- 0 0 71 3,-0.4 4,-0.1 32,-0.1 30,-0.0 0.511 97.2-123.5-121.9 -8.9 12.4 -2.3 12.6 75 81 A G S S+ 0 0 25 2,-0.3 3,-0.1 31,-0.1 -3,-0.0 0.470 100.5 68.0 79.2 3.6 12.0 0.2 9.8 76 82 A K S S+ 0 0 164 1,-0.2 2,-0.5 0, 0.0 -1,-0.1 0.605 90.1 53.2-124.2 -31.2 8.6 -1.3 8.8 77 83 A N S S- 0 0 103 2,-0.0 -3,-0.4 0, 0.0 2,-0.4 -0.974 71.6-164.1-118.8 126.3 6.2 -0.4 11.7 78 84 A W - 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0 0 37 -31,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.853 55.8-175.7-104.7 108.9 13.1 30.8 14.6 92 98 A K T 3 S+ 0 0 158 -2,-0.7 -31,-0.2 1,-0.2 -1,-0.1 0.710 83.5 33.2 -58.4 -35.7 16.0 31.9 12.3 93 99 A N T 3 S- 0 0 105 1,-0.5 -1,-0.2 -33,-0.1 2,-0.1 0.095 118.5 -83.7-137.1 -2.0 18.3 29.1 13.1 94 100 A G < - 0 0 1 -3,-0.6 -1,-0.5 -6,-0.1 2,-0.3 -0.410 38.7-115.3 110.8 175.4 16.2 26.0 13.7 95 101 A E E -C 55 0A 3 -40,-2.1 -40,-2.4 -2,-0.1 2,-0.4 -0.967 12.0-128.1-145.4 156.3 14.3 24.6 16.7 96 102 A K E -Cg 54 135A 29 38,-2.8 40,-1.9 -2,-0.3 2,-0.5 -0.929 16.6-151.3-106.2 142.7 14.4 21.5 18.9 97 103 A L E -Cg 53 136A 0 -44,-3.2 -44,-1.8 -2,-0.4 2,-0.3 -0.931 14.2-161.2-113.1 127.2 11.3 19.5 19.4 98 104 A T E +Cg 52 137A 43 38,-2.5 40,-2.5 -2,-0.5 2,-0.3 -0.734 15.7 160.6-112.3 155.1 11.1 17.6 22.7 99 105 A F E - 0 0 22 -48,-1.8 40,-0.1 -2,-0.3 3,-0.1 -0.978 50.0 -64.6-160.5 167.3 9.0 14.7 23.7 100 106 A T E S- 0 0 120 38,-0.3 -50,-0.1 -2,-0.3 -48,-0.0 -0.467 72.1 -99.8 -58.8 121.5 8.5 11.8 26.1 101 107 A P E + 0 0 73 0, 0.0 2,-0.3 0, 0.0 -50,-0.2 -0.120 48.3 178.7 -53.7 142.2 11.5 9.7 25.5 102 108 A V E -C 50 0A 25 -52,-1.9 -52,-3.2 -3,-0.1 2,-0.4 -0.940 31.2-109.6-135.4 161.5 11.0 6.6 23.3 103 109 A T E +C 49 0A 67 -2,-0.3 2,-0.3 -54,-0.2 -54,-0.2 -0.766 49.5 154.2 -94.5 133.9 13.3 3.8 22.1 104 110 A A E -C 48 0A 0 -56,-2.1 -56,-1.7 -2,-0.4 -31,-0.2 -0.988 41.7-172.4-158.6 147.0 14.1 3.9 18.4 105 111 A K E S+ 0 0 63 -33,-2.2 -61,-3.0 -2,-0.3 2,-0.4 0.571 86.3 43.9-104.3 -27.5 16.6 3.0 15.7 106 112 A Y E -CE 43 72A 38 -34,-2.7 -34,-2.0 -63,-0.2 2,-0.4 -0.937 58.4-171.0-124.7 145.0 14.8 4.9 12.9 107 113 A I E -CE 42 71A 0 -65,-2.3 -65,-3.0 -2,-0.4 2,-0.4 -1.000 10.5-171.6-129.6 131.8 13.2 8.3 12.7 108 114 A K E -CE 41 70A 28 -38,-2.5 -38,-3.2 -2,-0.4 2,-0.6 -0.984 12.3-157.5-127.7 130.7 11.1 9.3 9.7 109 115 A L E -CE 40 69A 0 -69,-2.8 -69,-1.9 -2,-0.4 2,-0.5 -0.934 7.9-156.9-102.8 122.0 9.7 12.7 8.8 110 116 A D E -CE 39 68A 35 -42,-2.3 -42,-2.6 -2,-0.6 2,-0.4 -0.894 23.3-159.7 -93.9 123.9 6.7 12.5 6.4 111 117 A T E -CE 38 67A 0 -73,-2.6 -73,-2.9 -2,-0.5 -44,-0.3 -0.888 26.7-173.3-123.4 146.9 6.7 15.9 4.8 112 118 A F E - 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