==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING PROTEIN 30-NOV-09 2KR2 . COMPND 2 MOLECULE: MALECTIN-A; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR T.SCHALLUS,K.FEHER,C.MUHLE-GOLL . 190 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 28 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 1 A G 0 0 141 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 71.1 24.0 -17.6 -6.8 2 2 A A - 0 0 98 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.911 360.0-179.1-111.9 129.9 20.8 -18.2 -4.7 3 3 A M + 0 0 148 -2,-0.4 2,-0.4 0, 0.0 0, 0.0 -0.939 11.0 159.2-132.1 111.2 19.1 -15.4 -2.6 4 4 A S + 0 0 132 -2,-0.4 2,-0.0 1,-0.0 175,-0.0 -0.948 24.1 107.3-136.9 114.2 15.9 -16.2 -0.5 5 5 A G + 0 0 29 -2,-0.4 4,-0.1 174,-0.3 20,-0.0 -0.266 13.0 156.8 172.2 93.4 14.8 -14.0 2.4 6 6 A L S >> S+ 0 0 17 19,-0.2 3,-1.1 2,-0.1 4,-1.1 0.882 82.2 52.0 -87.8 -48.7 11.8 -11.6 2.5 7 7 A A T 34 S+ 0 0 50 18,-0.6 -1,-0.1 1,-0.2 21,-0.1 0.695 107.5 55.4 -60.3 -24.8 11.1 -11.5 6.4 8 8 A D T 34 S+ 0 0 161 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.563 110.0 44.8 -87.2 -12.0 14.9 -10.6 7.0 9 9 A K T <4 S+ 0 0 66 -3,-1.1 165,-1.1 -4,-0.1 -2,-0.2 0.606 83.6 113.0-107.5 -18.1 14.9 -7.5 4.7 10 10 A V E < +A 173 0A 45 -4,-1.1 163,-0.2 163,-0.2 3,-0.1 -0.292 28.5 166.2 -56.9 135.9 11.4 -5.8 5.8 11 11 A I E + 0 0 77 161,-1.6 2,-0.2 1,-0.2 162,-0.2 0.616 68.1 7.5-121.5 -28.5 11.8 -2.4 7.7 12 12 A W E +A 172 0A 26 160,-1.6 160,-2.3 63,-0.1 2,-0.3 -0.839 61.3 166.6-162.8 117.9 8.2 -0.9 7.7 13 13 A A E +A 171 0A 9 15,-0.4 17,-1.0 -2,-0.2 2,-0.3 -0.992 6.3 176.5-139.1 129.6 4.7 -2.5 6.6 14 14 A V E -A 170 0A 2 156,-1.3 156,-1.0 -2,-0.3 2,-0.5 -0.990 16.9-165.6-138.6 133.8 1.1 -1.2 7.3 15 15 A N E -A 169 0A 1 -2,-0.3 2,-1.0 154,-0.3 17,-0.3 -0.958 22.9-141.6-114.1 112.9 -2.5 -2.4 6.2 16 16 A A E S+A 168 0A 12 152,-1.9 152,-0.7 -2,-0.5 49,-0.4 -0.627 78.5 50.0 -79.9 97.5 -5.1 0.4 6.9 17 17 A G S S+ 0 0 0 -2,-1.0 25,-1.8 47,-0.4 47,-0.3 -0.162 104.8 16.6 176.3 -68.7 -8.2 -1.5 8.2 18 18 A G S S- 0 0 7 -3,-0.3 2,-0.2 45,-0.2 -1,-0.2 0.592 87.0 -81.8 -98.6-116.2 -7.8 -4.1 11.0 19 19 A E S S- 0 0 86 1,-0.1 12,-0.2 12,-0.1 11,-0.1 -0.738 76.2 -20.2-170.5 118.7 -4.9 -4.6 13.5 20 20 A S - 0 0 61 10,-0.3 2,-0.4 -2,-0.2 10,-0.2 0.945 60.3-173.1 51.5 107.8 -1.5 -6.4 13.3 21 21 A H E -F 29 0B 24 8,-0.6 8,-1.9 -3,-0.1 2,-0.6 -0.977 18.5-159.4-137.1 135.0 -1.0 -9.2 10.5 22 22 A V E -F 28 0B 81 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.906 22.2-151.9-104.8 114.5 1.8 -11.7 9.7 23 23 A D E >> -F 27 0B 6 4,-2.6 3,-2.3 -2,-0.6 4,-0.6 -0.532 32.0 -92.5 -88.5 161.1 1.6 -13.0 6.1 24 24 A V T 34 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.533 125.3 46.3 -45.1 -25.4 2.9 -16.5 4.7 25 25 A H T 34 S- 0 0 79 2,-0.1 -18,-0.6 156,-0.0 -1,-0.3 0.655 129.4 -92.4 -92.0 -21.1 6.5 -15.2 3.7 26 26 A G T <4 S+ 0 0 28 -3,-2.3 2,-0.5 1,-0.2 -2,-0.2 0.713 72.2 149.3 111.9 39.6 6.9 -13.4 7.1 27 27 A I E < -F 23 0B 2 -4,-0.6 -4,-2.6 144,-0.0 2,-0.4 -0.895 27.2-160.1-105.8 125.0 5.6 -9.8 6.5 28 28 A H E -F 22 0B 99 -2,-0.5 -15,-0.4 -6,-0.2 2,-0.3 -0.867 10.2-154.3-115.8 133.0 4.0 -8.0 9.6 29 29 A Y E -F 21 0B 5 -8,-1.9 -8,-0.6 -2,-0.4 -15,-0.2 -0.794 16.5-139.1 -97.8 144.8 1.7 -5.0 9.8 30 30 A R - 0 0 156 -17,-1.0 -10,-0.3 -2,-0.3 -1,-0.2 0.944 36.7 -85.5 -67.3-104.8 1.6 -2.8 13.1 31 31 A K S S- 0 0 100 -12,-0.2 8,-0.2 -11,-0.1 -12,-0.1 -0.351 76.8 -41.9 176.8 93.8 -1.8 -1.5 14.5 32 32 A D + 0 0 16 -17,-0.3 5,-0.3 -14,-0.2 -16,-0.1 0.857 68.3 161.9 46.5 58.1 -3.7 1.8 13.4 33 33 A P + 0 0 24 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.042 64.9 41.3 -98.5 33.5 -0.6 4.3 13.2 34 34 A L S S+ 0 0 24 1,-0.1 2,-0.7 39,-0.1 38,-0.1 0.531 106.9 46.5-139.1 -51.0 -2.1 7.1 11.0 35 35 A E S S- 0 0 54 1,-0.1 -1,-0.1 2,-0.1 36,-0.0 -0.842 136.4 -14.4-109.6 98.4 -5.8 8.0 12.0 36 36 A G S S- 0 0 68 -2,-0.7 2,-1.3 1,-0.1 -1,-0.1 -0.086 84.6-132.7 104.3 -30.8 -6.1 8.3 15.8 37 37 A R S S+ 0 0 172 -5,-0.3 2,-0.4 0, 0.0 -1,-0.1 -0.267 87.5 42.7 77.1 -46.1 -2.7 6.6 16.5 38 38 A V S S+ 0 0 140 -2,-1.3 2,-0.2 -5,-0.1 -6,-0.1 -0.961 84.6 85.8-134.0 116.5 -4.1 4.3 19.3 39 39 A G - 0 0 39 -2,-0.4 2,-0.2 -8,-0.2 -3,-0.1 -0.607 62.6 -74.0-165.5-133.8 -7.4 2.4 18.9 40 40 A R - 0 0 217 -2,-0.2 2,-0.3 -8,-0.0 -9,-0.0 -0.666 49.5 -64.8-138.0-168.4 -9.0 -0.8 17.5 41 41 A A - 0 0 57 -2,-0.2 2,-0.4 -22,-0.1 -23,-0.2 -0.703 36.7-167.7 -92.5 137.0 -10.2 -2.6 14.2 42 42 A S + 0 0 42 -25,-1.8 2,-0.4 -2,-0.3 22,-0.2 -0.985 8.7 174.7-128.7 120.8 -13.0 -1.3 12.0 43 43 A D + 0 0 49 -2,-0.4 2,-0.8 20,-0.1 3,-0.4 -0.889 6.3 175.0-131.3 100.8 -14.6 -3.5 9.2 44 44 A Y S S+ 0 0 137 20,-0.5 -2,-0.0 -2,-0.4 21,-0.0 -0.678 83.1 17.4-105.6 75.2 -17.6 -2.0 7.2 45 45 A G + 0 0 21 -2,-0.8 3,-0.3 47,-0.0 -1,-0.3 0.592 67.5 161.4 123.6 65.8 -18.0 -4.8 4.6 46 46 A M + 0 0 122 -3,-0.4 -2,-0.1 1,-0.2 17,-0.0 0.377 63.3 73.1 -92.2 1.2 -16.2 -8.0 5.8 47 47 A K S S+ 0 0 183 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.296 76.3 83.5-111.7 47.1 -18.1 -10.5 3.4 48 48 A L - 0 0 73 -3,-0.3 -1,-0.1 76,-0.0 76,-0.0 -0.606 67.0-166.8-146.7 73.9 -16.4 -9.4 0.1 49 49 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 76,-0.3 -0.179 24.2-105.7 -68.2 158.7 -13.0 -11.3 -0.2 50 50 A I > - 0 0 12 4,-0.2 3,-0.5 1,-0.1 12,-0.1 -0.702 20.4-155.2 -87.0 133.2 -10.1 -10.6 -2.6 51 51 A L T 3 S+ 0 0 146 -2,-0.4 -1,-0.1 1,-0.2 7,-0.0 0.623 85.6 56.8 -84.4 -18.4 -9.7 -13.1 -5.6 52 52 A R T 3 S+ 0 0 188 2,-0.0 -1,-0.2 6,-0.0 2,-0.2 0.089 105.0 52.0-104.0 23.8 -5.9 -12.7 -6.3 53 53 A S S < S- 0 0 39 -3,-0.5 5,-0.1 1,-0.1 131,-0.0 -0.655 83.6 -86.5-138.1-166.8 -4.5 -13.6 -2.8 54 54 A N - 0 0 37 -2,-0.2 4,-0.2 130,-0.1 -4,-0.2 -0.243 42.0-103.8 -94.7-178.6 -4.6 -16.1 0.1 55 55 A P S > S+ 0 0 88 0, 0.0 4,-1.1 0, 0.0 -5,-0.1 0.937 123.4 36.5 -72.3 -45.6 -7.1 -16.4 3.2 56 56 A E H >> S+ 0 0 109 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.948 122.1 43.2 -68.7 -52.3 -4.5 -14.8 5.7 57 57 A D H 34 S+ 0 0 6 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.549 103.8 69.1 -75.7 -6.7 -3.0 -12.3 3.1 58 58 A Q H 34 S+ 0 0 47 2,-0.2 3,-0.5 -4,-0.2 5,-0.2 0.878 98.8 50.0 -72.5 -42.3 -6.8 -11.6 2.0 59 59 A V H XX S+ 0 0 58 -4,-1.1 4,-1.5 -3,-0.5 3,-0.7 0.894 114.5 43.7 -61.1 -42.3 -7.2 -9.8 5.5 60 60 A L T 3< S+ 0 0 13 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.506 121.4 40.9 -81.4 -6.4 -3.9 -7.8 4.7 61 61 A Y T 34 S+ 0 0 39 -3,-0.5 -1,-0.2 -5,-0.1 -2,-0.2 0.061 125.6 32.2-123.6 20.5 -5.1 -7.2 1.1 62 62 A Q T <4 S+ 0 0 11 -3,-0.7 2,-0.2 106,-0.1 -3,-0.2 0.543 84.1 102.2-145.7 -35.0 -8.9 -6.4 1.9 63 63 A T < - 0 0 5 -4,-1.5 105,-0.4 -5,-0.2 2,-0.3 -0.464 42.9-177.3 -71.0 130.2 -9.5 -4.7 5.4 64 64 A E - 0 0 28 -47,-0.3 -20,-0.5 -2,-0.2 -47,-0.4 -0.980 11.7-175.2-127.5 141.0 -10.2 -0.8 5.4 65 65 A R - 0 0 15 -49,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.864 51.1 -43.4-100.6 -81.3 -10.7 1.5 8.5 66 66 A Y - 0 0 151 100,-0.1 2,-0.3 -31,-0.0 -1,-0.2 -0.979 41.1-142.8-153.7 165.8 -11.7 5.2 7.7 67 67 A N + 0 0 38 -2,-0.3 2,-0.0 1,-0.1 96,-0.0 -0.901 20.7 155.9-131.7 159.5 -11.0 8.3 5.5 68 68 A E - 0 0 144 -2,-0.3 2,-0.3 3,-0.0 -1,-0.1 0.066 55.0 -52.9-141.4-106.5 -10.8 12.1 5.8 69 69 A D S S- 0 0 77 1,-0.2 89,-0.1 90,-0.1 95,-0.0 -0.863 97.5 -10.5-158.7 121.6 -8.8 14.7 3.5 70 70 A S S S+ 0 0 65 -2,-0.3 2,-0.3 1,-0.2 88,-0.2 0.984 83.0 148.7 55.0 89.5 -5.0 14.8 2.5 71 71 A F E +G 157 0C 28 86,-1.5 86,-1.8 -3,-0.1 2,-0.3 -0.971 13.3 140.8-150.5 160.9 -3.2 12.2 4.6 72 72 A G E -G 156 0C 25 -2,-0.3 84,-0.2 84,-0.2 2,-0.2 -0.988 33.8 -75.7-176.9-173.1 -0.3 9.7 4.8 73 73 A Y E -G 155 0C 8 82,-1.1 82,-1.4 -2,-0.3 2,-0.4 -0.514 21.2-133.2-107.9 172.0 2.6 8.0 6.6 74 74 A D E -G 154 0C 99 80,-0.2 80,-0.2 -2,-0.2 78,-0.0 -0.987 14.0-172.8-128.2 121.2 6.3 8.5 7.8 75 75 A I E -G 153 0C 1 78,-2.5 78,-2.6 -2,-0.4 2,-0.6 -0.936 13.9-152.0-115.8 106.4 9.1 6.0 7.2 76 76 A P E +G 152 0C 103 0, 0.0 2,-0.3 0, 0.0 76,-0.2 -0.705 23.7 170.3 -84.1 117.5 12.5 6.8 9.0 77 77 A I + 0 0 13 74,-1.5 74,-0.1 -2,-0.6 3,-0.0 -0.875 27.2 174.0-124.8 157.5 15.6 5.5 7.2 78 78 A K + 0 0 197 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.097 59.6 82.0-146.8 20.0 19.5 5.9 7.5 79 79 A E - 0 0 116 57,-0.0 2,-0.3 59,-0.0 56,-0.0 -0.904 63.2-131.4-131.9 159.7 20.9 3.4 5.0 80 80 A E + 0 0 106 -2,-0.3 2,-0.3 2,-0.0 56,-0.2 -0.853 52.6 74.7-116.6 148.2 21.5 3.2 1.2 81 81 A G E S-B 135 0A 26 54,-0.8 54,-1.6 -2,-0.3 2,-0.6 -0.952 87.3 -26.3 158.8-138.1 20.7 0.6 -1.5 82 82 A E E -B 134 0A 62 93,-0.4 93,-0.7 -2,-0.3 2,-0.5 -0.875 55.5-173.5-115.6 104.1 17.6 -0.5 -3.4 83 83 A Y E -BC 133 174A 3 50,-1.2 50,-2.5 -2,-0.6 2,-0.5 -0.808 7.0-158.4 -99.7 128.3 14.3 0.1 -1.5 84 84 A V E -BC 132 173A 1 89,-2.0 89,-1.9 -2,-0.5 2,-0.7 -0.915 5.4-163.4-113.3 123.5 11.0 -1.2 -3.0 85 85 A L E +BC 131 172A 0 46,-1.7 46,-1.5 -2,-0.5 2,-0.5 -0.896 15.2 172.4-108.7 105.3 7.6 0.2 -2.0 86 86 A V E +BC 130 171A 26 85,-2.3 85,-0.6 -2,-0.7 2,-0.4 -0.964 4.9 177.1-114.5 122.3 4.8 -2.2 -3.1 87 87 A L E -BC 129 170A 2 42,-1.4 42,-1.5 -2,-0.5 2,-0.5 -0.990 22.3-137.1-131.7 136.7 1.2 -1.3 -1.9 88 88 A K E -BC 128 169A 25 81,-0.7 81,-1.2 -2,-0.4 2,-0.4 -0.814 15.7-162.4 -97.7 123.6 -2.1 -3.1 -2.6 89 89 A F E +BC 127 168A 6 38,-1.9 38,-1.6 -2,-0.5 2,-0.3 -0.869 14.9 172.9-105.8 133.2 -5.2 -0.9 -3.4 90 90 A A E - 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