==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 08-DEC-98 2BQP . COMPND 2 MOLECULE: PROTEIN (PEA LECTIN); . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR S.N.RUZEINIKOV,I.MIKHAILOVA YU,I.N.TSYGANNIK,W.PANGBORN, . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 71.1 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 . 210 46.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 47 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 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 . 3 2 4 2 4 4 7 4 0 0 2 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 0 0 0 1 1 0 0 0 0 0 0 0 1 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 T 0 0 64 0, 0.0 238,-2.4 0, 0.0 239,-0.4 0.000 360.0 360.0 360.0 139.7 27.1 73.6 42.4 2 2 A E E +AB 228 238A 12 226,-2.6 226,-3.0 236,-0.2 2,-0.3 -0.990 360.0 178.9-144.4 130.3 28.4 74.3 38.9 3 3 A T E -AB 227 237A 20 234,-2.3 234,-1.8 -2,-0.4 2,-0.4 -0.970 10.5-167.7-135.2 154.9 26.7 73.4 35.6 4 4 A T E +AB 226 236A 2 222,-1.5 222,-2.6 -2,-0.3 2,-0.3 -0.997 15.4 165.9-140.9 134.8 27.4 73.9 31.9 5 5 A S E +AB 225 235A 17 230,-2.2 230,-2.4 -2,-0.4 2,-0.3 -0.993 6.0 164.6-150.2 152.9 25.0 73.3 29.0 6 6 A F E -AB 224 234A 6 218,-2.0 218,-1.9 -2,-0.3 2,-0.3 -0.976 13.2-163.9-161.1 160.5 24.6 74.0 25.3 7 7 A L E +AB 223 233A 56 226,-1.8 226,-2.4 -2,-0.3 2,-0.4 -0.963 7.3 176.3-151.2 130.3 22.6 73.0 22.2 8 8 A I E +AB 222 232A 1 214,-1.9 214,-2.2 -2,-0.3 224,-0.2 -0.915 3.0 173.6-135.7 105.8 23.4 73.6 18.6 9 9 A T S S+ 0 0 56 222,-2.8 2,-0.3 -2,-0.4 223,-0.1 0.526 76.2 26.0 -93.7 -5.0 20.9 72.0 16.3 10 10 A K S S- 0 0 88 221,-0.5 2,-0.3 212,-0.1 -1,-0.3 -0.954 80.9-130.1-153.5 136.4 22.4 73.6 13.2 11 11 A F B -P 29 0B 6 18,-2.1 18,-0.5 -2,-0.3 19,-0.1 -0.688 16.6-148.9 -94.1 138.9 25.9 74.8 12.6 12 12 A S > - 0 0 16 -2,-0.3 3,-0.8 17,-0.1 14,-0.1 -0.662 26.6-113.5 -98.9 161.7 26.6 78.3 11.3 13 13 A P T 3 S+ 0 0 78 0, 0.0 13,-0.3 0, 0.0 2,-0.1 0.728 116.9 44.9 -67.7 -21.0 29.7 79.2 9.1 14 14 A D T 3 S+ 0 0 84 3,-0.0 2,-1.9 2,-0.0 3,-0.0 -0.434 73.1 168.5-119.7 57.1 31.1 81.4 11.9 15 15 A Q X + 0 0 4 -3,-0.8 3,-1.2 1,-0.2 -4,-0.0 -0.498 5.5 176.0 -71.4 85.5 30.5 79.0 14.8 16 16 A Q T 3 + 0 0 68 -2,-1.9 -1,-0.2 1,-0.2 264,-0.0 0.476 66.5 68.6 -75.7 -5.2 32.6 81.0 17.3 17 17 A N T 3 S+ 0 0 3 261,-0.1 30,-3.2 30,-0.0 2,-0.3 0.304 93.0 72.9 -94.0 11.6 31.9 78.9 20.4 18 18 A L E < S-Q 46 0C 11 -3,-1.2 2,-0.5 28,-0.3 28,-0.2 -0.892 72.6-140.6-120.9 151.8 33.9 76.0 18.9 19 19 A I E -Q 45 0C 56 26,-3.4 26,-3.0 -2,-0.3 2,-0.3 -0.977 21.3-152.6-116.4 116.5 37.7 75.6 18.5 20 20 A F E -Q 44 0C 68 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.715 14.2-178.7 -94.0 139.3 38.6 73.9 15.2 21 21 A Q E > -Q 43 0C 33 22,-2.5 22,-2.7 -2,-0.3 3,-1.5 -0.961 55.7 -10.3-134.9 146.6 41.8 71.9 14.7 22 22 A G E 3 S-Q 42 0C 57 -2,-0.3 20,-0.3 1,-0.2 12,-0.1 -0.316 128.5 -18.6 66.8-140.1 43.0 70.3 11.5 23 23 A D T 3 S+ 0 0 73 18,-3.3 -1,-0.2 10,-0.3 19,-0.2 0.384 99.2 130.5 -81.9 1.7 40.6 70.1 8.6 24 24 A G < + 0 0 8 -3,-1.5 2,-0.3 17,-0.2 9,-0.2 -0.365 25.7 137.4 -64.5 132.7 37.6 70.7 10.9 25 25 A Y E -C 32 0A 87 7,-2.5 7,-3.5 -2,-0.1 2,-0.4 -0.978 47.2-103.3-164.0 167.0 35.1 73.5 9.9 26 26 A T E +C 31 0A 13 -13,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.818 41.3 152.0-104.9 143.5 31.4 74.4 9.6 27 27 A T E > +C 30 0A 39 3,-2.9 3,-1.7 -2,-0.4 -16,-0.1 -0.883 59.7 4.3-169.8 133.4 29.4 74.4 6.3 28 28 A K T 3 S- 0 0 159 1,-0.3 -16,-0.1 -2,-0.3 3,-0.1 0.871 127.5 -55.2 56.7 42.3 25.8 74.0 5.2 29 29 A E B 3 S+P 11 0B 106 -18,-0.5 -18,-2.1 1,-0.2 2,-0.3 0.395 120.6 104.7 71.7 1.2 24.4 73.6 8.7 30 30 A K E < -C 27 0A 36 -3,-1.7 -3,-2.9 -20,-0.2 2,-0.6 -0.814 69.7-131.4-117.9 149.6 26.9 70.8 9.3 31 31 A L E -CD 26 219A 0 188,-3.2 188,-2.6 -2,-0.3 2,-0.6 -0.886 26.5-156.3 -94.1 115.9 30.2 70.5 11.3 32 32 A T E +CD 25 218A 6 -7,-3.5 -7,-2.5 -2,-0.6 186,-0.2 -0.888 20.2 175.1 -99.8 121.4 32.7 68.8 9.0 33 33 A L E S- 0 0 0 184,-2.4 2,-0.3 -2,-0.6 -10,-0.3 0.848 72.7 -4.5 -89.3 -42.3 35.6 67.0 10.7 34 34 A T E - D 0 217A 0 183,-1.2 183,-1.7 8,-0.1 -1,-0.4 -0.982 63.6-135.9-149.7 149.5 37.2 65.5 7.5 35 35 A K - 0 0 124 -2,-0.3 2,-2.4 181,-0.2 180,-0.5 -0.426 53.0 -78.9 -91.3 178.3 36.4 65.3 3.8 36 36 A A S S+ 0 0 34 -2,-0.2 2,-0.3 178,-0.1 180,-0.2 -0.457 91.7 120.8 -80.6 69.3 36.7 62.1 1.9 37 37 A V > - 0 0 64 -2,-2.4 3,-0.6 178,-0.4 178,-0.3 -0.970 65.2 -98.1-136.8 151.5 40.5 62.4 1.5 38 38 A K T 3 S+ 0 0 123 -2,-0.3 174,-0.2 1,-0.2 176,-0.1 -0.318 92.8 3.9 -67.6 146.0 43.6 60.5 2.4 39 39 A N T 3 S+ 0 0 126 172,-2.2 2,-0.2 174,-0.3 -1,-0.2 0.762 89.7 134.7 50.5 46.2 45.7 61.2 5.5 40 40 A T < - 0 0 22 -3,-0.6 170,-2.0 -5,-0.1 58,-0.5 -0.681 36.5-158.2-116.9 170.3 43.7 64.0 7.2 41 41 A V E - R 0 209C 33 -2,-0.2 -18,-3.3 168,-0.2 2,-0.4 -0.985 6.6-174.2-145.6 142.6 42.5 64.9 10.7 42 42 A G E +QR 22 208C 0 166,-2.1 166,-2.2 -2,-0.3 2,-0.3 -0.991 6.0 175.5-141.8 135.3 39.7 67.1 11.9 43 43 A R E -QR 21 207C 1 -22,-2.7 -22,-2.5 -2,-0.4 2,-0.4 -0.977 10.5-169.8-141.9 149.6 38.9 68.2 15.5 44 44 A A E -QR 20 206C 0 162,-1.7 162,-2.4 -2,-0.3 2,-0.3 -0.977 8.2-170.1-142.7 129.9 36.3 70.5 17.0 45 45 A L E -QR 19 205C 2 -26,-3.0 -26,-3.4 -2,-0.4 2,-0.3 -0.902 28.9-115.6-121.5 145.4 36.3 71.5 20.7 46 46 A Y E -Q 18 0C 0 158,-2.3 158,-0.3 -2,-0.3 -28,-0.3 -0.674 33.0-127.1 -76.2 138.7 33.7 73.5 22.6 47 47 A S S S+ 0 0 11 -30,-3.2 -1,-0.1 -2,-0.3 -29,-0.1 0.847 82.9 75.9 -59.8 -39.8 35.3 76.7 23.7 48 48 A S S S- 0 0 0 -31,-0.3 156,-0.3 231,-0.1 2,-0.1 -0.541 79.9-125.3 -83.9 133.9 34.6 76.7 27.4 49 49 A P - 0 0 6 0, 0.0 2,-0.4 0, 0.0 154,-0.2 -0.509 28.9-136.4 -66.6 148.2 36.6 74.4 29.8 50 50 A I E -S 202 0C 0 152,-2.9 152,-2.1 -2,-0.1 2,-1.3 -0.853 8.5-127.6-110.1 143.4 34.3 72.2 31.8 51 51 A H E +S 201 0C 8 -2,-0.4 150,-0.2 150,-0.2 -49,-0.1 -0.749 36.7 169.2 -91.2 91.8 34.6 71.5 35.5 52 52 A I + 0 0 2 148,-1.3 9,-3.2 -2,-1.3 2,-0.3 0.767 61.9 8.3 -75.2 -34.1 34.5 67.7 35.4 53 53 A W B -X 60 0D 42 147,-1.2 2,-0.6 7,-0.3 7,-0.3 -0.989 69.8-120.5-148.4 159.4 35.6 67.1 39.0 54 54 A D > - 0 0 28 5,-3.4 4,-2.4 -2,-0.3 5,-0.3 -0.897 8.7-164.3-108.2 116.8 36.2 69.0 42.2 55 55 A R T 4 S+ 0 0 152 -2,-0.6 -1,-0.2 1,-0.2 0, 0.0 0.906 91.1 51.6 -59.8 -43.0 39.6 68.9 43.9 56 56 A E T 4 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.807 126.9 17.7 -67.4 -40.5 38.1 70.2 47.1 57 57 A T T 4 S- 0 0 71 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.579 96.5-125.2-106.3 -18.8 35.2 67.8 47.7 58 58 A G < + 0 0 24 -4,-2.4 -3,-0.2 1,-0.3 2,-0.1 0.629 56.0 156.8 81.2 12.6 36.4 65.1 45.3 59 59 A N - 0 0 53 -5,-0.3 -5,-3.4 -6,-0.0 2,-0.4 -0.424 31.2-149.8 -72.7 149.1 33.0 65.3 43.6 60 60 A V B -X 53 0D 24 -7,-0.3 169,-0.3 -2,-0.1 -7,-0.3 -0.947 20.5-114.1-120.0 137.8 32.8 64.1 39.9 61 61 A A - 0 0 0 -9,-3.2 2,-0.4 -2,-0.4 167,-0.2 -0.404 15.2-136.0 -74.2 149.0 30.3 65.7 37.5 62 62 A N E +E 227 0A 73 165,-2.3 165,-2.3 105,-0.1 2,-0.3 -0.799 37.4 173.1 -94.3 143.3 27.3 63.8 36.0 63 63 A F E -EF 226 166A 7 103,-1.5 103,-2.6 -2,-0.4 2,-0.3 -0.992 24.6-171.9-154.4 159.2 27.1 64.5 32.2 64 64 A V E -EF 225 165A 50 161,-2.0 161,-1.6 -2,-0.3 2,-0.3 -0.971 5.8-172.8-150.8 134.7 25.3 63.6 29.0 65 65 A T E -EF 224 164A 0 99,-2.6 99,-2.4 -2,-0.3 2,-0.4 -0.954 3.3-166.3-127.4 151.0 25.9 64.6 25.5 66 66 A S E +EF 223 163A 40 157,-2.1 157,-2.8 -2,-0.3 2,-0.3 -0.999 14.9 159.5-137.9 138.7 23.9 63.9 22.4 67 67 A F E -EF 222 162A 3 95,-1.8 95,-3.2 -2,-0.4 2,-0.4 -0.980 30.6-137.8-156.4 155.4 24.8 64.3 18.8 68 68 A T E +EF 221 161A 14 153,-1.3 152,-2.5 -2,-0.3 153,-0.9 -0.976 30.3 178.4-116.0 133.4 23.8 63.1 15.4 69 69 A F E -EF 219 160A 3 91,-2.2 91,-2.8 -2,-0.4 2,-0.3 -0.943 15.2-159.0-138.0 159.3 26.6 62.1 13.0 70 70 A V E -EF 218 159A 12 148,-2.4 148,-2.5 -2,-0.3 2,-0.4 -0.966 4.9-155.6-136.6 147.2 27.0 60.8 9.5 71 71 A I E -E 217 0A 2 87,-0.5 86,-3.0 -2,-0.3 2,-0.6 -0.999 8.7-167.5-127.9 123.3 29.8 59.0 7.7 72 72 A N E +E 216 0A 68 144,-2.5 144,-2.8 -2,-0.4 84,-0.1 -0.914 7.9 178.3-116.3 103.5 30.0 59.2 3.9 73 73 A A - 0 0 8 -2,-0.6 3,-0.2 142,-0.2 142,-0.2 -0.856 27.9-144.2-105.2 131.1 32.4 56.8 2.3 74 74 A P S S+ 0 0 97 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.801 98.6 39.3 -61.5 -32.2 32.6 56.8 -1.6 75 75 A N S > S- 0 0 73 3,-0.4 3,-1.1 139,-0.3 139,-0.1 -0.954 76.1-152.4-123.1 111.5 33.1 53.0 -1.4 76 76 A S T 3 S+ 0 0 57 -2,-0.5 3,-0.1 1,-0.2 78,-0.1 0.595 95.2 52.7 -56.1 -12.0 31.0 51.3 1.2 77 77 A Y T 3 S+ 0 0 190 1,-0.2 2,-0.7 -3,-0.0 -1,-0.2 0.751 103.9 52.4 -98.4 -27.4 33.7 48.6 1.5 78 78 A N S < S+ 0 0 79 -3,-1.1 -3,-0.4 136,-0.1 136,-0.4 -0.888 70.8 153.5-115.2 97.2 36.8 50.7 2.1 79 79 A V - 0 0 2 -2,-0.7 2,-0.3 43,-0.3 136,-0.1 -0.986 22.3-152.2-128.3 136.8 36.2 53.0 5.0 80 80 A A - 0 0 0 -2,-0.4 131,-0.1 43,-0.1 2,-0.1 -0.958 38.7 -17.5-163.6 151.0 38.7 54.5 7.5 81 81 A D - 0 0 7 -2,-0.3 41,-1.4 129,-0.2 42,-0.7 -0.934 66.2-125.0-113.4 -23.4 39.4 55.5 10.1 82 82 A G E -TU 121 209C 0 127,-1.0 127,-1.3 39,-0.2 2,-0.3 -0.875 11.4 -99.9 147.5-175.9 36.6 56.7 12.4 83 83 A F E -TU 120 208C 0 37,-1.8 37,-2.4 -2,-0.3 2,-0.3 -0.926 31.0-169.7-141.9 150.9 35.1 59.4 14.6 84 84 A T E -TU 119 207C 0 123,-2.1 123,-2.0 -2,-0.3 2,-0.5 -0.991 23.4-142.6-146.2 159.2 35.3 60.0 18.3 85 85 A F E -TU 118 206C 3 33,-1.8 33,-2.3 -2,-0.3 2,-0.3 -0.970 38.3-174.9-113.4 132.2 33.9 62.0 21.2 86 86 A F E -TU 117 205C 0 119,-2.1 119,-1.9 -2,-0.5 2,-0.5 -0.965 30.5-152.0-140.8 152.9 36.7 62.8 23.7 87 87 A I E +TU 116 204C 5 29,-2.5 29,-1.9 -2,-0.3 117,-0.2 -0.991 38.8 150.8-117.3 122.1 37.3 64.4 27.0 88 88 A A E - 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