==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-AUG-12 4GQ7 . COMPND 2 MOLECULE: FLOCCULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES PASTORIANUS; . AUTHOR L.SIM,M.GROES,K.OLESEN,A.HENRIKSEN . 220 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 59.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 34.1 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 . 1 0.5 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 . 20 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 3 3 1 2 1 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 . 0 2 1 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 23 A A 0 0 141 0, 0.0 217,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -25.4 1.3 3.6 38.9 2 24 A E + 0 0 180 2,-0.1 2,-0.1 0, 0.0 216,-0.0 0.574 360.0 105.0-125.3 -22.6 3.6 2.3 36.1 3 25 A A S S- 0 0 37 1,-0.1 2,-0.2 158,-0.0 158,-0.1 -0.428 76.0-109.4 -68.6 140.4 3.1 -1.6 36.0 4 26 A T - 0 0 40 156,-0.4 2,-0.2 -2,-0.1 115,-0.1 -0.496 36.1-110.2 -72.9 136.4 1.1 -2.9 33.0 5 27 A Q + 0 0 41 115,-0.4 115,-2.1 -2,-0.2 2,-0.2 -0.456 41.6 176.5 -71.3 133.7 -2.4 -4.3 34.0 6 28 A A E -A 216 0A 0 210,-2.3 210,-3.1 113,-0.2 2,-0.3 -0.651 14.9-135.8-124.0-177.7 -2.9 -8.0 33.7 7 29 A a E -AB 215 166A 0 159,-2.8 159,-2.3 208,-0.2 208,-0.2 -0.930 10.3-153.8-138.7 163.5 -5.7 -10.5 34.6 8 30 A L - 0 0 61 206,-2.1 207,-0.1 -2,-0.3 205,-0.1 -0.588 21.5-171.1-137.8 74.7 -6.3 -13.9 36.1 9 31 A P - 0 0 9 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.383 12.8-160.3 -65.5 146.3 -9.5 -15.4 34.7 10 32 A V + 0 0 111 2,-0.1 3,-0.1 -2,-0.1 204,-0.0 0.408 55.3 109.3-109.0 -3.0 -10.8 -18.6 36.4 11 33 A G S S- 0 0 38 1,-0.2 2,-0.3 195,-0.2 197,-0.0 -0.089 89.7 -69.0 -64.2 171.2 -12.9 -19.8 33.5 12 34 A S - 0 0 98 1,-0.1 194,-0.4 0, 0.0 2,-0.3 -0.519 59.0-121.0 -68.9 124.3 -12.0 -22.9 31.5 13 35 A R - 0 0 129 -2,-0.3 2,-0.4 -3,-0.1 192,-0.2 -0.513 25.8-159.7 -76.1 126.6 -8.9 -22.0 29.4 14 36 A K E -C 204 0B 107 190,-2.8 190,-2.9 -2,-0.3 2,-0.2 -0.844 20.8-114.5-106.7 143.6 -9.2 -22.2 25.6 15 37 A N E S-C 203 0B 69 -2,-0.4 188,-0.2 188,-0.2 38,-0.2 -0.481 70.5 -3.3 -76.3 140.7 -6.2 -22.5 23.3 16 38 A G S S- 0 0 0 186,-2.0 2,-0.2 -2,-0.2 39,-0.2 -0.022 85.6 -53.6 79.6-174.6 -5.5 -19.7 20.9 17 39 A M E -D 54 0B 1 37,-2.8 37,-2.6 35,-0.1 2,-0.4 -0.662 36.2-121.9-109.1 155.2 -7.1 -16.4 19.8 18 40 A N E - E 0 92B 15 74,-2.4 74,-2.8 -2,-0.2 2,-0.4 -0.797 27.3-162.7 -93.0 139.5 -10.5 -15.2 18.6 19 41 A V E -DE 51 91B 0 32,-2.8 32,-2.2 -2,-0.4 2,-0.3 -0.972 5.0-169.3-131.0 114.5 -10.5 -13.5 15.2 20 42 A N E -DE 50 90B 13 70,-2.6 70,-2.6 -2,-0.4 2,-0.3 -0.777 11.3-145.7 -99.3 148.7 -13.3 -11.4 13.9 21 43 A F E -DE 49 89B 0 28,-2.7 27,-2.7 -2,-0.3 28,-0.9 -0.888 13.2-167.1-116.9 146.1 -13.6 -10.1 10.3 22 44 A Y E -DE 47 88B 12 66,-2.6 66,-1.8 -2,-0.3 25,-0.2 -0.977 30.0 -96.8-134.6 145.1 -15.0 -6.8 9.0 23 45 A K + 0 0 60 23,-2.5 2,-0.3 -2,-0.3 64,-0.2 -0.315 43.5 176.0 -49.8 129.3 -16.1 -5.2 5.7 24 46 A Y - 0 0 17 62,-0.5 2,-0.2 21,-0.1 3,-0.1 -0.972 28.2-116.8-142.4 137.9 -13.4 -3.1 4.2 25 47 A S > - 0 0 82 -2,-0.3 3,-1.9 1,-0.1 2,-0.2 -0.456 29.8-106.7 -79.6 137.4 -13.6 -1.3 0.9 26 48 A L T 3 S+ 0 0 55 1,-0.3 151,-0.2 -2,-0.2 60,-0.1 -0.418 104.8 6.5 -60.0 124.8 -11.2 -2.1 -2.0 27 49 A Q T 3 S+ 0 0 105 149,-3.0 2,-1.2 58,-0.3 -1,-0.3 0.628 83.3 143.8 70.3 20.9 -8.7 0.8 -2.3 28 50 A D < + 0 0 33 -3,-1.9 4,-0.4 148,-0.2 -1,-0.2 -0.743 13.7 164.2 -83.4 94.3 -9.8 2.7 0.8 29 51 A S + 0 0 60 -2,-1.2 -1,-0.1 1,-0.1 118,-0.1 0.132 64.4 53.5-101.0 22.1 -6.4 3.9 1.9 30 52 A T S > S+ 0 0 78 2,-0.1 3,-2.1 3,-0.0 4,-0.2 0.720 91.1 62.9-120.5 -44.6 -7.7 6.6 4.3 31 53 A T G > S+ 0 0 50 1,-0.3 3,-1.8 2,-0.2 6,-0.2 0.912 103.1 52.9 -52.9 -46.0 -10.1 5.0 6.8 32 54 A Y G 3 S+ 0 0 2 -4,-0.4 113,-0.6 1,-0.3 -1,-0.3 0.390 96.9 68.0 -76.1 5.8 -7.4 2.7 8.3 33 55 A S G < S+ 0 0 9 -3,-2.1 -1,-0.3 111,-0.2 -2,-0.2 0.379 78.4 97.4 -99.4 0.1 -5.1 5.7 8.9 34 56 A D <> - 0 0 78 -3,-1.8 4,-2.0 -4,-0.2 3,-0.3 -0.801 67.7-149.6 -87.6 122.4 -7.5 7.0 11.6 35 57 A P H > S+ 0 0 59 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.802 99.5 54.7 -60.3 -30.1 -6.3 6.0 15.1 36 58 A Q H >>S+ 0 0 78 2,-0.2 5,-2.5 1,-0.2 4,-2.1 0.833 107.5 50.4 -71.4 -34.4 -10.0 5.9 16.3 37 59 A Y H 4>S+ 0 0 14 -3,-0.3 5,-1.6 -6,-0.2 6,-0.2 0.934 112.9 44.0 -67.9 -46.7 -10.8 3.4 13.5 38 60 A M H <5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.783 115.4 50.4 -71.3 -27.8 -7.9 1.0 14.3 39 61 A A H <5S- 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.942 139.6 -41.5 -72.2 -49.9 -8.7 1.3 18.0 40 62 A Y T ><5S+ 0 0 49 -4,-2.1 3,-2.5 95,-0.1 4,-0.2 0.543 110.1 90.4-155.5 -30.7 -12.4 0.6 17.9 41 63 A K G > - 0 0 32 3,-0.1 3,-0.6 1,-0.0 -1,-0.3 -0.943 57.6-174.0-138.8 116.6 -4.8 -7.2 -11.5 68 90 A W T 3 S+ 0 0 64 -2,-0.4 3,-0.0 -3,-0.2 -1,-0.0 -0.019 85.8 61.0 -93.2 28.4 -3.9 -5.0 -8.6 69 91 A N T 3 S+ 0 0 100 2,-0.1 2,-0.3 108,-0.1 -1,-0.2 0.153 91.0 72.2-140.2 15.9 -7.3 -3.3 -8.7 70 92 A T S < S- 0 0 72 -3,-0.6 108,-0.3 0, 0.0 -3,-0.1 -0.933 81.1-106.9-128.4 155.1 -9.8 -6.2 -8.1 71 93 A A - 0 0 39 -2,-0.3 2,-0.3 106,-0.1 -2,-0.1 -0.341 28.9-156.7 -71.3 159.7 -10.6 -8.2 -5.0 72 94 A S - 0 0 18 106,-0.1 13,-0.7 -2,-0.1 2,-0.3 -0.983 9.2-136.7-142.6 135.2 -9.4 -11.8 -4.7 73 95 A W + 0 0 156 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.653 33.6 142.1 -98.7 147.2 -10.9 -14.4 -2.5 74 96 A S B -M 82 0E 16 8,-2.3 8,-2.4 -2,-0.3 3,-0.2 -0.975 49.9-134.9-169.2 161.3 -9.2 -17.0 -0.2 75 97 A S S > S+ 0 0 58 -2,-0.3 4,-1.7 6,-0.2 5,-0.3 0.315 75.4 109.9-101.9 2.6 -9.3 -18.8 3.2 76 98 A D T 4 + 0 0 108 2,-0.2 2,-1.2 3,-0.2 -16,-0.3 0.705 58.4 81.8 -53.9 -25.1 -5.6 -18.1 3.8 77 99 A L T >4 S- 0 0 3 3,-0.5 3,-2.1 -3,-0.2 -1,-0.1 -0.731 129.7 -47.2 -86.3 93.3 -6.6 -15.6 6.6 78 100 A F T 34 S- 0 0 21 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.688 102.1 -65.1 60.0 26.8 -7.1 -18.0 9.6 79 101 A G T 3< S+ 0 0 60 -4,-1.7 2,-0.5 1,-0.2 -1,-0.3 0.537 103.3 128.9 74.4 7.8 -9.3 -20.4 7.6 80 102 A F < - 0 0 41 -3,-2.1 2,-0.7 -5,-0.3 -3,-0.5 -0.860 60.5-128.5-100.2 125.0 -12.0 -17.8 7.0 81 103 A Y + 0 0 140 -2,-0.5 -6,-0.2 -3,-0.1 2,-0.2 -0.620 59.8 109.7 -78.3 110.8 -13.1 -17.3 3.4 82 104 A T B S-M 74 0E 6 -8,-2.4 -8,-2.3 -2,-0.7 -6,-0.1 -0.722 74.6 -69.4-153.6-158.9 -13.0 -13.6 2.6 83 105 A T > - 0 0 13 3,-0.3 3,-1.6 -10,-0.2 -10,-0.2 -0.882 33.4-175.9-113.5 95.9 -11.1 -11.0 0.5 84 106 A P T 3 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 93,-0.2 0.722 83.5 67.8 -64.2 -20.2 -7.5 -10.6 1.9 85 107 A T T 3 S+ 0 0 1 -13,-0.7 -58,-0.3 1,-0.3 2,-0.2 0.716 119.3 17.4 -67.2 -24.7 -7.0 -7.8 -0.7 86 108 A N S < S+ 0 0 22 -3,-1.6 -62,-0.5 -14,-0.2 -3,-0.3 -0.722 94.5 102.9-153.2 101.8 -9.6 -5.8 1.3 87 109 A V E - F 0 175B 1 88,-1.3 88,-2.2 -3,-0.3 2,-0.4 -0.967 50.0-133.6-168.6 153.4 -10.6 -6.7 4.9 88 110 A T E -EF 22 174B 0 -66,-1.8 -66,-2.6 -2,-0.3 2,-0.4 -0.969 24.9-166.9-115.6 138.9 -10.1 -5.6 8.5 89 111 A V E -EF 21 173B 0 84,-2.9 84,-2.3 -2,-0.4 2,-0.5 -0.973 10.5-158.0-128.5 140.9 -9.4 -8.3 11.1 90 112 A E E -EF 20 172B 9 -70,-2.6 -70,-2.6 -2,-0.4 2,-0.5 -0.976 8.7-170.2-119.8 115.0 -9.5 -8.2 14.9 91 113 A M E +EF 19 171B 0 80,-3.0 80,-2.2 -2,-0.5 2,-0.3 -0.914 12.0 175.4-103.2 129.8 -7.5 -10.8 16.8 92 114 A T E +EF 18 170B 3 -74,-2.8 -74,-2.4 -2,-0.5 2,-0.3 -0.965 16.3 110.0-132.7 152.1 -8.0 -11.0 20.6 93 115 A G E - F 0 169B 0 76,-1.6 76,-2.4 -2,-0.3 2,-0.4 -0.958 59.3 -77.6 176.4-166.1 -6.8 -13.2 23.4 94 116 A Y E -GF 203 168B 1 109,-2.9 109,-2.0 -2,-0.3 2,-0.5 -0.993 30.7-143.9-122.7 128.0 -4.5 -13.3 26.5 95 117 A F E -GF 202 167B 0 72,-3.5 72,-2.9 -2,-0.4 107,-0.2 -0.788 13.6-155.9 -88.4 127.5 -0.7 -13.6 26.3 96 118 A L - 0 0 23 105,-3.1 70,-0.2 -2,-0.5 67,-0.1 -0.892 4.9-149.1-109.5 105.1 0.7 -15.7 29.1 97 119 A P - 0 0 1 0, 0.0 67,-1.8 0, 0.0 68,-0.2 -0.593 6.7-165.2 -71.0 124.0 4.4 -15.0 30.0 98 120 A P S S+ 0 0 87 0, 0.0 2,-0.3 0, 0.0 65,-0.1 0.637 78.4 35.5 -82.2 -14.1 6.2 -18.2 31.2 99 121 A Q S S- 0 0 105 63,-0.1 2,-0.4 2,-0.0 62,-0.1 -0.969 87.3-112.0-133.5 152.4 9.0 -16.0 32.6 100 122 A T S S+ 0 0 62 -2,-0.3 2,-0.3 62,-0.1 62,-0.2 -0.686 71.3 70.8 -81.3 132.0 9.2 -12.5 34.1 101 123 A G E S-N 161 0F 8 60,-2.2 60,-2.6 -2,-0.4 2,-0.4 -0.983 83.0 -29.4 157.2-163.5 10.9 -9.9 32.0 102 124 A S E -N 160 0F 58 -2,-0.3 2,-0.5 58,-0.2 58,-0.2 -0.706 43.6-163.2 -91.9 132.3 10.7 -7.7 28.9 103 125 A Y E -N 159 0F 2 56,-2.5 56,-2.2 -2,-0.4 2,-0.9 -0.955 1.8-163.4-117.9 113.2 8.7 -8.9 25.9 104 126 A T E -NO 158 187F 38 83,-2.0 83,-2.0 -2,-0.5 54,-0.3 -0.817 7.6-163.9-102.7 98.4 9.4 -7.1 22.6 105 127 A F E -NO 157 186F 5 52,-2.1 52,-2.1 -2,-0.9 2,-0.3 -0.526 14.0-168.4 -76.7 148.3 6.6 -7.8 20.1 106 128 A K E -NO 156 185F 50 79,-2.7 79,-2.2 50,-0.2 2,-0.6 -0.997 30.5-153.2-145.6 143.6 7.3 -6.9 16.4 107 129 A F E -NO 155 184F 0 48,-2.0 48,-1.7 -2,-0.3 77,-0.2 -0.980 14.1-157.3-106.8 113.2 5.9 -6.5 13.0 108 130 A A E S- 0 0 34 75,-2.3 46,-2.5 -2,-0.6 2,-0.3 0.882 81.2 -14.6 -57.0 -39.0 8.6 -7.3 10.4 109 131 A T E -N 153 0F 25 44,-0.2 2,-0.4 74,-0.2 -1,-0.2 -0.959 65.5-134.3-153.0 168.4 6.5 -5.2 8.1 110 132 A V - 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