==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-AUG-99 1CR7 . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR R.RAVISHANKAR,K.SUGUNA,A.SUROLIA,M.VIJAYAN . 1856 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 65838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1289 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 789 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 24 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 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 . 237 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 5 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 . 8 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 24 0 8 16 8 35 13 0 0 8 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 16 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 A 0 0 54 0, 0.0 2,-0.6 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 120.1 50.8 72.1 24.3 2 2 A E E -A 229 0A 18 227,-2.8 227,-2.5 239,-0.1 2,-0.4 -0.943 360.0-174.3-104.9 117.7 48.3 74.1 26.3 3 3 A T E -A 228 0A 24 -2,-0.6 2,-0.4 237,-0.3 237,-0.3 -0.943 15.5-171.1-123.6 137.9 44.8 72.9 25.9 4 4 A V E +A 227 0A 15 223,-2.1 223,-2.5 -2,-0.4 2,-0.3 -0.988 19.4 162.4-122.0 130.3 41.4 74.2 27.2 5 5 A S E +A 226 0A 40 -2,-0.4 233,-0.3 233,-0.3 2,-0.3 -0.992 8.9 162.0-152.6 142.3 38.4 72.1 26.8 6 6 A F E -A 225 0A 25 219,-2.0 219,-2.8 -2,-0.3 2,-0.4 -0.953 18.5-151.5-149.1 164.5 34.9 71.9 28.2 7 7 A N E -A 224 0A 72 229,-0.3 2,-0.5 -2,-0.3 229,-0.3 -0.967 6.2-169.8-147.2 123.5 31.6 70.3 27.2 8 8 A F E +A 223 0A 19 215,-3.0 215,-2.4 -2,-0.4 3,-0.1 -0.954 16.5 167.4-119.1 114.6 28.1 71.5 28.1 9 9 A N S S- 0 0 103 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.533 82.4 -4.6 -96.9 -11.2 25.1 69.3 27.4 10 10 A S S S- 0 0 48 224,-0.1 2,-0.3 213,-0.1 -1,-0.3 -0.930 74.2-128.5-166.1 170.2 22.9 71.6 29.5 11 11 A F - 0 0 9 19,-2.2 2,-0.3 -2,-0.3 224,-0.0 -0.920 15.4-169.6-131.7 157.6 23.4 74.6 31.7 12 12 A S > - 0 0 34 -2,-0.3 3,-1.4 14,-0.0 16,-0.0 -0.993 30.8-105.2-147.9 142.9 22.5 75.5 35.2 13 13 A E T 3 S+ 0 0 140 -2,-0.3 12,-0.0 1,-0.2 0, 0.0 -0.353 104.3 39.9 -63.1 150.0 22.6 78.8 37.2 14 14 A G T 3 S+ 0 0 43 1,-0.3 -1,-0.2 4,-0.1 0, 0.0 0.221 74.5 137.3 95.0 -16.2 25.4 78.9 39.7 15 15 A N X - 0 0 13 -3,-1.4 3,-1.9 1,-0.2 -1,-0.3 -0.519 48.3-150.0 -67.2 110.1 27.9 77.2 37.4 16 16 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.524 87.9 69.9 -62.3 -0.5 31.0 79.3 38.0 17 17 A A T 3 S+ 0 0 5 32,-0.1 32,-2.6 266,-0.1 2,-0.4 0.453 91.5 63.5 -95.1 -3.1 32.2 78.5 34.4 18 18 A I E < -H 48 0B 12 -3,-1.9 2,-0.5 30,-0.3 30,-0.2 -0.983 64.1-156.1-129.0 133.6 29.5 80.7 32.7 19 19 A N E -H 47 0B 56 28,-3.0 28,-2.4 -2,-0.4 2,-0.3 -0.920 9.1-152.5-108.4 131.5 29.0 84.4 32.8 20 20 A F E -H 46 0B 83 -2,-0.5 2,-0.4 26,-0.2 26,-0.2 -0.773 12.6-178.1-102.8 143.8 25.6 86.0 32.1 21 21 A Q E -H 45 0B 21 24,-2.1 24,-2.6 -2,-0.3 2,-0.2 -0.963 53.5 -18.6-141.7 122.7 25.3 89.5 30.7 22 22 A G E S-H 44 0B 52 -2,-0.4 22,-0.3 22,-0.2 2,-0.3 -0.527 121.3 -5.2 88.0-149.8 21.9 91.1 30.1 23 23 A D S S+ 0 0 32 20,-3.3 21,-0.2 -2,-0.2 -1,-0.2 0.083 86.3 144.2 -75.5 25.9 18.6 89.4 29.6 24 24 A V + 0 0 23 -2,-0.3 2,-0.3 21,-0.2 10,-0.2 -0.338 22.7 178.2 -69.6 143.5 20.0 85.9 29.8 25 25 A T E -B 33 0A 58 8,-2.8 8,-3.6 -2,-0.1 2,-0.6 -0.999 25.7-136.5-149.4 141.1 17.9 83.2 31.4 26 26 A V E -B 32 0A 22 -2,-0.3 6,-0.2 6,-0.2 -13,-0.1 -0.890 25.1-145.5 -99.3 119.8 18.3 79.4 32.1 27 27 A L > - 0 0 55 4,-3.0 3,-1.6 -2,-0.6 -16,-0.1 -0.350 29.7-100.3 -78.0 168.2 15.1 77.4 31.4 28 28 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.815 119.6 61.3 -57.2 -35.5 14.0 74.3 33.5 29 29 A N T 3 S- 0 0 96 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.115 121.1-103.0 -80.8 20.5 15.3 72.0 30.7 30 30 A G S < S+ 0 0 9 -3,-1.6 -19,-2.2 1,-0.2 2,-0.2 0.420 80.7 133.1 77.3 -5.6 18.9 73.2 31.0 31 31 A N - 0 0 11 -21,-0.2 -4,-3.0 -5,-0.0 2,-0.5 -0.517 53.9-128.8 -79.0 151.8 18.6 75.4 27.9 32 32 A I E -BC 26 220A 0 188,-2.2 188,-2.5 -6,-0.2 2,-0.6 -0.870 14.0-160.1-104.7 120.6 19.8 79.0 27.8 33 33 A Q E -BC 25 219A 30 -8,-3.6 -8,-2.8 -2,-0.5 186,-0.2 -0.913 4.6-164.9 -98.5 125.7 17.4 81.7 26.5 34 34 A L + 0 0 0 184,-2.3 2,-0.3 -2,-0.6 174,-0.2 0.879 61.4 44.7 -81.0 -40.3 19.3 84.8 25.5 35 35 A T S S- 0 0 3 183,-0.3 2,-0.5 181,-0.2 183,-0.2 -0.722 73.9-123.7-110.7 157.2 16.7 87.5 25.1 36 36 A N > - 0 0 63 -2,-0.3 3,-1.1 1,-0.1 6,-0.2 -0.879 17.0-148.2 -96.6 122.7 13.7 88.7 27.3 37 37 A L T 3 S+ 0 0 44 -2,-0.5 -1,-0.1 1,-0.2 180,-0.0 0.558 92.8 52.5 -67.4 -12.8 10.5 88.7 25.2 38 38 A N T 3 S+ 0 0 83 2,-0.1 2,-0.4 1166,-0.0 -1,-0.2 0.401 92.0 90.2-104.2 -1.0 8.9 91.6 27.1 39 39 A K S X S- 0 0 87 -3,-1.1 3,-0.8 -16,-0.1 2,-0.2 -0.835 72.0-130.0-103.0 140.2 11.8 94.0 26.7 40 40 A V T 3 S+ 0 0 18 -2,-0.4 172,-0.2 1,-0.3 171,-0.1 -0.546 96.1 8.9 -78.4 144.3 12.3 96.6 24.0 41 41 A N T 3 S- 0 0 56 -2,-0.2 -1,-0.3 1,-0.1 170,-0.2 0.863 91.7-168.7 48.7 49.6 15.9 96.3 22.6 42 42 A S < - 0 0 2 -3,-0.8 168,-2.1 169,-0.4 2,-0.3 -0.351 9.7-175.2 -68.9 140.1 16.6 93.2 24.5 43 43 A V E + I 0 209B 8 166,-0.2 -20,-3.3 59,-0.1 2,-0.4 -0.996 6.4 173.3-140.4 132.3 20.2 92.0 24.7 44 44 A G E +HI 22 208B 0 164,-2.2 164,-2.2 -2,-0.3 2,-0.3 -0.996 2.9 179.0-140.4 138.6 21.6 88.7 26.3 45 45 A R E -HI 21 207B 3 -24,-2.6 -24,-2.1 -2,-0.4 2,-0.4 -0.995 11.4-163.0-141.1 146.0 25.0 87.3 26.2 46 46 A V E -HI 20 206B 4 160,-2.7 160,-2.6 -2,-0.3 2,-0.3 -0.999 14.6-175.2-131.2 127.3 26.6 84.1 27.7 47 47 A L E -HI 19 205B 1 -28,-2.4 -28,-3.0 -2,-0.4 2,-0.7 -0.918 35.3-109.2-124.7 151.9 30.4 83.8 28.0 48 48 A Y E -H 18 0B 11 156,-2.5 156,-0.3 -2,-0.3 -30,-0.3 -0.737 37.5-135.6 -77.5 118.5 32.7 81.0 29.2 49 49 A A S S+ 0 0 19 -32,-2.6 -1,-0.2 -2,-0.7 -31,-0.1 0.793 81.0 72.3 -44.4 -46.7 33.9 82.5 32.4 50 50 A M S S- 0 0 11 -33,-0.3 154,-0.3 1,-0.0 2,-0.2 -0.568 84.1-124.2 -80.5 134.7 37.6 81.7 32.1 51 51 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 152,-0.2 -0.598 22.5-139.7 -76.3 147.0 39.6 83.7 29.5 52 52 A V E -J 202 0B 1 150,-2.3 150,-2.5 -2,-0.2 2,-1.1 -0.919 8.6-132.0-108.6 132.0 41.4 81.6 27.0 53 53 A R E +J 201 0B 25 -2,-0.4 148,-0.2 148,-0.2 147,-0.1 -0.718 26.9 178.4 -82.1 100.7 45.0 82.5 25.8 54 54 A I + 0 0 1 146,-1.5 9,-2.6 -2,-1.1 2,-0.3 0.533 63.7 9.7 -82.8 -7.7 44.7 82.3 22.1 55 55 A W B -O 62 0C 37 145,-1.0 2,-0.5 7,-0.2 7,-0.2 -0.974 63.6-133.9-164.8 153.3 48.3 83.3 21.3 56 56 A S > - 0 0 7 5,-1.8 4,-2.8 -2,-0.3 5,-0.3 -0.972 2.2-160.1-117.2 129.0 51.6 84.0 23.0 57 57 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.771 94.7 65.3 -72.1 -24.2 53.8 87.0 22.3 58 58 A A T 4 S+ 0 0 87 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.879 123.0 12.9 -64.2 -40.5 56.6 85.0 23.8 59 59 A T T 4 S- 0 0 65 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.600 93.1-130.4-111.9 -18.2 56.5 82.4 20.9 60 60 A G < + 0 0 25 -4,-2.8 2,-0.2 1,-0.3 -3,-0.2 0.557 58.3 143.9 77.3 7.7 54.3 84.2 18.4 61 61 A N - 0 0 47 -5,-0.3 -5,-1.8 169,-0.1 2,-0.3 -0.546 39.9-147.7 -82.0 145.5 52.2 81.0 18.1 62 62 A V B -O 55 0C 18 -7,-0.2 168,-0.4 -2,-0.2 -7,-0.2 -0.807 21.2-115.3-108.1 151.0 48.4 81.2 17.6 63 63 A A - 0 0 3 -9,-2.6 2,-0.4 -2,-0.3 166,-0.2 -0.471 16.4-138.9 -85.3 156.6 46.1 78.5 19.0 64 64 A S E -D 228 0A 9 164,-2.3 164,-2.6 -2,-0.1 2,-0.3 -0.876 25.0-169.7-108.9 146.1 43.9 76.1 16.9 65 65 A F E -DE 227 167A 1 102,-1.6 102,-2.8 -2,-0.4 2,-0.4 -0.985 19.9-164.3-143.9 149.2 40.4 75.4 18.1 66 66 A L E +DE 226 166A 21 160,-2.6 160,-2.3 -2,-0.3 2,-0.3 -0.996 22.8 166.7-127.3 131.4 37.5 73.1 17.4 67 67 A T E -DE 225 165A 2 98,-2.5 98,-3.5 -2,-0.4 2,-0.3 -0.997 14.9-173.7-150.4 146.0 34.1 73.9 18.7 68 68 A S E +DE 224 164A 41 156,-2.0 156,-2.8 -2,-0.3 2,-0.3 -0.988 11.2 164.9-140.4 143.8 30.5 72.8 18.1 69 69 A F E -DE 223 163A 7 94,-1.9 94,-2.9 -2,-0.3 2,-0.4 -0.971 20.8-144.8-153.7 160.1 27.3 74.1 19.5 70 70 A S E +DE 222 162A 14 152,-1.8 151,-2.8 -2,-0.3 152,-1.2 -0.993 20.4 170.0-133.9 143.4 23.6 73.9 18.8 71 71 A F E -DE 220 161A 1 90,-1.4 90,-2.7 -2,-0.4 2,-0.3 -0.898 17.9-146.4-142.6 172.5 20.9 76.5 19.1 72 72 A E E -DE 219 160A 17 147,-2.2 147,-3.1 -2,-0.3 2,-0.4 -0.998 3.1-162.5-146.4 139.2 17.2 77.0 18.2 73 73 A M E -D 218 0A 4 86,-0.6 85,-2.5 -2,-0.3 2,-0.4 -0.996 12.9-172.6-123.0 133.4 15.3 80.1 17.2 74 74 A K E -D 217 0A 92 143,-1.7 143,-2.7 -2,-0.4 83,-0.1 -0.987 21.1-121.9-132.3 134.7 11.5 80.2 17.4 75 75 A D - 0 0 75 -2,-0.4 2,-0.3 141,-0.2 141,-0.1 -0.218 22.7-159.6 -65.4 155.0 8.9 82.7 16.2 76 76 A I - 0 0 38 139,-0.4 3,-0.2 3,-0.3 139,-0.1 -0.926 32.8 -82.4-132.5 155.2 6.5 84.3 18.6 77 77 A K S S+ 0 0 183 -2,-0.3 2,-1.6 1,-0.2 3,-0.1 -0.238 101.2 2.2 -62.8 150.0 3.2 86.0 17.7 78 78 A D S S+ 0 0 102 1,-0.1 -1,-0.2 136,-0.0 2,-0.2 -0.130 107.0 94.6 72.3 -38.1 2.9 89.6 16.5 79 79 A Y S S- 0 0 24 -2,-1.6 -3,-0.3 -3,-0.2 135,-0.2 -0.528 80.2-110.3 -88.3 152.6 6.6 90.3 16.5 80 80 A D B -p 214 0D 98 133,-2.6 2,-0.8 -2,-0.2 135,-0.7 -0.618 40.8-104.4 -78.9 133.8 9.0 90.0 13.5 81 81 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.489 65.2-162.9 -61.7 102.7 11.5 87.1 13.9 82 82 A A - 0 0 0 -2,-0.8 134,-0.3 2,-0.1 129,-0.2 -0.970 16.8 -16.6-161.8 161.6 14.6 89.0 14.8 83 83 A D - 0 0 3 -2,-0.3 41,-1.6 127,-0.2 42,-0.6 -0.991 62.6-132.5-108.3 -16.9 17.5 89.6 15.2 84 84 A G E -KL 123 209B 0 125,-0.6 125,-1.0 39,-0.2 2,-0.3 -0.790 18.7 -84.4 136.1 179.9 19.7 86.6 15.3 85 85 A I E -KL 122 208B 0 37,-1.7 37,-3.2 -2,-0.3 2,-0.4 -0.922 28.4-160.6-127.1 149.8 22.6 85.0 17.3 86 86 A I E -KL 121 207B 0 121,-2.4 121,-2.2 -2,-0.3 2,-0.6 -0.999 11.2-152.1-137.1 131.6 26.3 85.6 17.1 87 87 A F E +KL 120 206B 2 33,-2.9 33,-3.2 -2,-0.4 2,-0.3 -0.924 37.8 175.6 -96.7 119.8 29.1 83.3 18.3 88 88 A F E -KL 119 205B 0 117,-2.3 117,-2.1 -2,-0.6 2,-0.4 -0.880 35.9-148.5-131.7 168.2 31.9 85.7 19.1 89 89 A I E +KL 118 204B 4 29,-2.9 29,-2.2 -2,-0.3 115,-0.2 -0.997 33.1 161.3-130.3 127.0 35.4 86.1 20.5 90 90 A A E - 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