==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 07-MAR-00 1DZQ . COMPND 2 MOLECULE: LECTIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: ULEX EUROPAEUS; . AUTHOR R.LORIS,H.DE GREVE,M.-H.DAO-THI,J.MESSENS,A.IMBERTY,L.WYNS . 942 5 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 66.9 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 . 396 42.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 98 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 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 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 . 8 12 2 4 8 12 4 12 4 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 0 0 0 0 0 4 0 0 0 0 0 0 0 2 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 3 A S 0 0 56 0, 0.0 242,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-165.8 80.9 1.4 76.2 2 4 A D - 0 0 35 1,-0.1 232,-0.2 232,-0.1 3,-0.1 -0.271 360.0-111.5 -69.7 159.0 81.0 5.2 76.1 3 5 A D S S+ 0 0 41 230,-0.2 240,-2.0 1,-0.2 2,-0.3 0.910 94.1 2.8 -58.4 -47.6 81.7 7.3 79.2 4 6 A L E +AB 233 242A 11 229,-2.0 229,-1.8 238,-0.2 2,-0.2 -0.998 59.3 166.1-145.2 150.0 78.2 8.8 79.5 5 7 A S E +AB 232 241A 15 236,-1.2 236,-1.3 -2,-0.3 2,-0.3 -0.813 8.1 166.7-165.5 114.0 74.9 8.4 77.8 6 8 A F E -AB 231 240A 1 225,-2.5 225,-2.5 -2,-0.2 2,-0.4 -0.945 11.4-165.7-131.9 155.2 71.4 9.6 78.9 7 9 A N E -A 230 0A 17 232,-2.4 2,-0.5 -2,-0.3 223,-0.2 -0.983 7.4-171.8-145.9 130.2 68.0 10.0 77.3 8 10 A F E -A 229 0A 12 221,-2.8 221,-2.4 -2,-0.4 3,-0.1 -0.980 4.3-179.5-120.9 113.4 64.8 11.8 78.3 9 11 A D S S- 0 0 116 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.738 81.1 -6.6 -80.5 -26.9 61.8 11.1 76.0 10 12 A K S S- 0 0 82 219,-0.1 -1,-0.3 218,-0.0 2,-0.3 -0.923 79.0-115.7-156.4 165.3 59.7 13.4 78.2 11 13 A F - 0 0 3 19,-2.3 -3,-0.0 -2,-0.3 216,-0.0 -0.742 18.4-139.8-110.1 161.8 60.4 15.2 81.5 12 14 A V > - 0 0 8 -2,-0.3 3,-0.8 18,-0.0 16,-0.1 -0.944 35.4 -89.9-121.5 144.2 58.7 14.8 84.9 13 15 A P T 3 S+ 0 0 59 0, 0.0 3,-0.1 0, 0.0 14,-0.1 -0.289 113.3 3.7 -53.2 125.5 57.7 17.6 87.3 14 16 A N T 3 S- 0 0 124 12,-0.2 2,-0.4 1,-0.2 11,-0.0 0.965 86.2-162.4 57.9 54.5 60.6 18.2 89.7 15 17 A Q X - 0 0 9 -3,-0.8 3,-1.1 1,-0.1 -1,-0.2 -0.579 9.8-146.6 -67.3 123.0 62.9 15.8 87.9 16 18 A K T 3 S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.2 274,-0.0 0.513 90.6 58.2 -76.8 -3.8 65.7 15.1 90.3 17 19 A N T 3 S+ 0 0 13 271,-0.2 33,-2.7 32,-0.0 2,-0.4 0.139 95.7 73.4-109.8 19.3 68.5 14.6 87.8 18 20 A I E < S-P 49 0B 8 -3,-1.1 2,-0.6 31,-0.3 31,-0.2 -0.997 75.0-141.2-129.6 130.8 68.0 18.1 86.3 19 21 A I E -P 48 0B 55 29,-3.5 29,-2.3 -2,-0.4 2,-0.5 -0.869 16.7-149.9 -96.0 121.6 69.1 21.2 88.2 20 22 A F E -P 47 0B 58 -2,-0.6 2,-0.4 27,-0.2 27,-0.2 -0.825 16.8-179.5 -96.8 125.1 66.7 24.0 87.7 21 23 A Q E > -P 46 0B 12 25,-3.2 25,-2.6 -2,-0.5 3,-1.3 -0.941 54.8 -12.5-121.9 144.2 68.1 27.6 87.8 22 24 A G E 3 S-P 45 0B 53 -2,-0.4 23,-0.3 23,-0.2 13,-0.1 -0.406 126.9 -22.9 69.8-138.3 66.0 30.8 87.5 23 25 A D T 3 S+ 0 0 73 21,-2.8 -1,-0.2 11,-0.2 22,-0.2 0.304 97.8 129.0 -91.9 8.2 62.5 30.3 86.2 24 26 A A < + 0 0 8 -3,-1.3 2,-0.3 22,-0.2 10,-0.2 -0.353 25.6 138.8 -66.7 143.2 63.1 26.9 84.5 25 27 A S E -C 33 0A 53 8,-1.3 8,-2.6 10,-0.1 2,-0.5 -0.961 48.8-104.9-168.6 173.1 60.7 24.1 85.4 26 28 A V E -C 32 0A 13 -2,-0.3 6,-0.2 6,-0.2 -12,-0.2 -0.972 32.0-135.5-121.4 121.0 58.8 21.2 83.8 27 29 A S > - 0 0 20 4,-1.9 3,-1.6 -2,-0.5 -16,-0.1 -0.073 29.7-102.3 -63.2 169.0 55.0 21.4 83.2 28 30 A T T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.694 120.2 66.1 -68.3 -19.0 52.5 18.7 84.0 29 31 A T T 3 S- 0 0 119 2,-0.1 -1,-0.3 -17,-0.1 -18,-0.1 0.382 120.4-108.2 -82.4 3.5 52.4 17.8 80.3 30 32 A G S < S+ 0 0 9 -3,-1.6 -19,-2.3 1,-0.2 2,-0.4 0.749 74.0 131.9 79.1 26.3 56.1 16.8 80.6 31 33 A V - 0 0 24 -21,-0.2 -4,-1.9 -4,-0.1 2,-0.8 -0.897 58.5-123.0-113.8 141.5 57.8 19.6 78.8 32 34 A L E -CD 26 226A 1 194,-2.3 194,-2.4 -2,-0.4 2,-1.1 -0.737 22.6-166.4 -82.3 108.7 60.8 21.5 80.0 33 35 A Q E +CD 25 225A 32 -8,-2.6 -8,-1.3 -2,-0.8 192,-0.2 -0.794 9.3 178.7 -96.8 89.0 59.8 25.2 80.0 34 36 A V S S+ 0 0 0 190,-1.5 2,-0.4 -2,-1.1 179,-0.2 0.844 73.8 50.2 -60.8 -30.0 63.3 26.8 80.4 35 37 A T S S- 0 0 0 189,-0.7 189,-0.4 -3,-0.2 -10,-0.1 -0.883 102.9-102.3-111.3 138.0 61.5 30.1 80.2 36 38 A K - 0 0 87 -2,-0.4 2,-0.5 187,-0.1 5,-0.3 -0.297 31.2-162.0 -61.7 136.3 58.4 30.9 82.4 37 39 A V 0 0 54 1,-0.1 -4,-0.0 -4,-0.1 186,-0.0 -0.988 360.0 360.0-126.5 120.0 55.0 30.7 80.8 38 40 A S 0 0 112 -2,-0.5 -1,-0.1 3,-0.1 -2,-0.0 0.215 360.0 360.0-162.9 360.0 52.0 32.4 82.5 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 43 A T 0 0 102 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 146.8 53.0 37.0 81.4 41 44 A T - 0 0 51 -5,-0.3 176,-0.1 177,-0.1 -3,-0.1 -0.998 360.0 -83.3-168.4 159.5 56.5 38.2 82.5 42 45 A T - 0 0 82 -2,-0.3 2,-0.3 174,-0.1 174,-0.2 -0.348 57.8-179.8 -58.8 145.0 60.2 38.9 81.9 43 46 A S E - Q 0 215B 3 172,-2.1 172,-2.8 -8,-0.0 2,-0.3 -1.000 31.1-176.8-158.7 152.4 62.1 35.7 82.5 44 47 A I E + Q 0 214B 34 -2,-0.3 -21,-2.8 170,-0.2 2,-0.3 -0.982 21.4 162.0-145.9 134.5 65.5 33.9 82.6 45 48 A G E -PQ 22 213B 0 168,-2.1 168,-1.9 -2,-0.3 2,-0.3 -0.996 17.2-168.8-156.0 154.6 66.1 30.2 83.3 46 49 A R E -PQ 21 212B 1 -25,-2.6 -25,-3.2 -2,-0.3 2,-0.4 -0.981 4.2-164.0-143.0 150.5 68.6 27.4 83.0 47 50 A A E -PQ 20 211B 1 164,-2.7 164,-2.2 -2,-0.3 2,-0.3 -0.987 12.5-175.4-139.1 124.2 68.4 23.6 83.4 48 51 A L E -PQ 19 210B 0 -29,-2.3 -29,-3.5 -2,-0.4 2,-0.3 -0.893 35.0-104.0-121.3 152.9 71.4 21.4 83.7 49 52 A Y E -P 18 0B 2 160,-2.2 -31,-0.3 -2,-0.3 160,-0.2 -0.593 40.3-120.6 -70.8 135.4 71.9 17.7 84.0 50 53 A A S S+ 0 0 14 -33,-2.7 -32,-0.1 -2,-0.3 -1,-0.1 0.629 89.1 64.9 -54.6 -21.6 72.6 17.0 87.6 51 54 A A S S- 0 0 0 -34,-0.3 158,-0.3 238,-0.1 202,-0.1 -0.904 81.8-120.4-113.9 134.9 76.1 15.4 87.2 52 55 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 156,-0.2 -0.224 25.1-142.2 -61.3 156.7 79.3 17.0 85.8 53 56 A I E -R 207 0B 5 154,-3.1 154,-2.8 199,-0.0 2,-0.9 -0.961 11.8-126.8-125.4 135.6 80.9 15.5 82.7 54 57 A Q E +R 206 0B 23 -2,-0.4 152,-0.2 152,-0.2 3,-0.1 -0.786 28.6 177.1 -85.7 108.4 84.6 15.2 82.1 55 58 A I + 0 0 0 150,-2.5 9,-2.7 -2,-0.9 2,-0.3 0.651 66.1 5.5 -86.2 -18.6 85.1 16.9 78.8 56 59 A W B -W 63 0C 43 149,-0.9 2,-0.5 7,-0.2 -1,-0.2 -0.973 66.1-128.6-163.4 150.8 88.9 16.5 78.7 57 60 A D > - 0 0 4 5,-2.4 4,-2.0 -2,-0.3 143,-0.0 -0.926 5.3-164.3-109.5 123.2 91.7 14.8 80.8 58 61 A S T 4 S+ 0 0 69 -2,-0.5 -1,-0.1 2,-0.2 142,-0.0 0.753 90.7 55.9 -73.4 -25.4 94.8 16.8 81.9 59 62 A I T 4 S+ 0 0 124 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.995 123.0 20.8 -67.8 -64.6 96.7 13.5 82.6 60 63 A T T 4 S- 0 0 82 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.680 96.9-127.5 -79.4 -22.7 96.4 11.9 79.2 61 64 A G < + 0 0 28 -4,-2.0 -3,-0.1 1,-0.3 139,-0.1 0.278 57.2 149.7 90.6 -11.9 95.7 15.0 77.2 62 65 A K - 0 0 113 -6,-0.1 -5,-2.4 173,-0.1 2,-0.3 -0.153 34.0-152.0 -55.3 147.1 92.5 13.3 75.7 63 66 A V B -W 56 0C 32 -7,-0.2 -7,-0.2 -3,-0.1 2,-0.2 -0.916 18.2-117.4-122.0 146.4 89.5 15.4 74.6 64 67 A A - 0 0 0 -9,-2.7 2,-0.4 -2,-0.3 171,-0.2 -0.571 12.6-148.2 -88.0 146.0 86.0 14.1 74.5 65 68 A S E +E 234 0A 41 169,-2.2 169,-2.0 -2,-0.2 2,-0.3 -0.866 26.4 179.0-104.4 141.9 83.7 13.7 71.5 66 69 A F E -EF 233 171A 9 105,-1.5 105,-3.0 -2,-0.4 2,-0.3 -0.973 18.6-165.5-143.6 161.3 80.0 14.2 72.2 67 70 A A E -EF 232 170A 30 165,-2.5 165,-2.1 -2,-0.3 2,-0.3 -0.990 8.8-176.8-145.4 143.4 76.7 14.3 70.5 68 71 A T E -EF 231 169A 2 101,-2.6 101,-2.7 -2,-0.3 2,-0.4 -0.987 6.0-167.9-143.1 150.1 73.3 15.6 71.6 69 72 A S E +EF 230 168A 25 161,-2.6 161,-3.2 -2,-0.3 2,-0.3 -0.998 16.7 155.4-140.4 136.7 69.8 15.6 70.2 70 73 A F E -EF 229 167A 1 97,-1.9 97,-3.0 -2,-0.4 2,-0.4 -0.982 29.9-137.4-156.6 160.3 66.8 17.5 71.3 71 74 A S E +EF 228 166A 11 157,-1.1 156,-3.4 -2,-0.3 157,-0.8 -0.992 27.1 177.1-125.7 130.2 63.5 18.9 70.0 72 75 A F E -EF 226 165A 1 93,-1.9 93,-2.8 -2,-0.4 2,-0.4 -0.870 18.2-151.3-132.2 165.4 62.2 22.3 71.0 73 76 A V E -EF 225 164A 20 152,-2.5 152,-2.5 -2,-0.3 2,-0.5 -0.995 2.7-168.5-136.6 137.8 59.4 24.6 70.3 74 77 A V - 0 0 3 89,-0.5 88,-1.8 -2,-0.4 2,-0.6 -0.932 13.7-176.8-129.0 99.9 59.3 28.4 70.4 75 78 A K - 0 0 131 -2,-0.5 148,-2.0 86,-0.2 2,-0.3 -0.921 6.1-163.2-104.3 118.0 55.8 29.7 70.2 76 79 A A B -X 222 0D 7 -2,-0.6 146,-0.2 146,-0.3 5,-0.1 -0.763 19.1-141.1-100.3 145.9 55.3 33.4 70.1 77 80 A D S S+ 0 0 126 144,-1.7 -1,-0.1 -2,-0.3 145,-0.1 0.955 92.9 29.6 -67.8 -52.9 52.0 35.2 70.8 78 81 A K S S- 0 0 124 2,-0.6 -2,-0.2 143,-0.4 142,-0.0 0.100 115.2 -80.6 -85.7-155.8 52.4 37.8 68.1 79 82 A S S S+ 0 0 97 1,-0.1 2,-0.3 82,-0.0 82,-0.1 0.430 115.3 42.9 -89.8 2.1 54.4 37.1 64.9 80 83 A D + 0 0 62 141,-0.1 -2,-0.6 -5,-0.0 2,-0.3 -0.989 63.0 174.6-146.7 153.6 57.5 37.8 66.9 81 84 A G - 0 0 0 -2,-0.3 2,-0.3 45,-0.2 140,-0.2 -0.904 20.2 -88.8-149.4 175.8 59.1 37.0 70.2 82 85 A V - 0 0 2 138,-1.5 140,-0.3 -2,-0.3 2,-0.1 -0.931 61.8 -7.4-141.5 158.6 62.2 37.3 72.3 83 86 A D - 0 0 11 -2,-0.3 43,-1.3 132,-0.2 44,-1.3 -0.967 66.1-125.4-114.2 -22.5 64.8 36.4 73.3 84 87 A G E -ST 125 214B 0 130,-0.9 130,-1.5 41,-0.2 2,-0.3 -0.784 14.1 -98.0 142.2 179.8 66.0 32.9 72.4 85 88 A L E -ST 124 213B 1 39,-1.8 39,-3.2 -2,-0.2 2,-0.3 -0.922 27.6-164.3-135.2 156.1 67.2 29.6 73.6 86 89 A A E -ST 123 212B 0 126,-2.6 126,-2.1 -2,-0.3 2,-0.5 -0.999 17.8-150.0-149.3 145.1 70.7 28.0 74.1 87 90 A F E +ST 122 211B 2 35,-2.4 35,-2.9 -2,-0.3 2,-0.3 -0.950 39.0 174.2-106.4 135.2 72.4 24.7 74.6 88 91 A F E -ST 121 210B 0 122,-2.5 122,-1.8 -2,-0.5 2,-0.4 -0.958 38.8-144.3-148.4 164.4 75.6 25.1 76.5 89 92 A L E +ST 120 209B 5 31,-2.8 31,-2.1 -2,-0.3 120,-0.2 -0.994 35.7 162.6-124.3 123.9 78.7 23.7 78.3 90 93 A A E - 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