==== 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 LECTIN 06-AUG-99 1CQ9 . COMPND 2 MOLECULE: PROTEIN (PEANUT LECTIN); . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR R.RAVISHANKAR,K.SUGUNA,A.SUROLIA,M.VIJAYAN . 928 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 396 42.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 1 0.1 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 . 112 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 12 0 4 8 4 18 6 0 0 2 2 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 8 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 50 0, 0.0 2,-0.6 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 132.9 -11.6 10.3 0.5 2 2 A E E -A 229 0A 17 227,-2.1 227,-2.9 239,-0.1 2,-0.4 -0.956 360.0-177.9-113.2 113.8 -8.4 12.4 0.8 3 3 A T E -A 228 0A 36 -2,-0.6 2,-0.4 237,-0.3 237,-0.3 -0.936 20.5-172.7-124.3 141.4 -5.5 10.3 2.0 4 4 A V E +A 227 0A 15 223,-1.8 223,-2.2 -2,-0.4 2,-0.3 -0.987 20.4 162.2-126.2 129.1 -1.8 10.9 2.9 5 5 A S E +A 226 0A 52 -2,-0.4 2,-0.3 233,-0.3 233,-0.2 -0.988 7.8 166.0-151.0 144.2 0.4 8.0 3.6 6 6 A F E -A 225 0A 23 219,-2.2 219,-3.0 -2,-0.3 2,-0.3 -0.984 17.5-153.4-152.3 160.8 4.1 7.3 3.7 7 7 A N E -A 224 0A 68 -2,-0.3 2,-0.6 229,-0.3 217,-0.2 -0.952 6.0-174.0-141.9 115.2 6.5 4.6 4.9 8 8 A F E +A 223 0A 21 215,-3.1 215,-1.9 -2,-0.3 3,-0.1 -0.918 11.1 169.9-111.1 106.6 10.2 5.2 6.0 9 9 A N S S- 0 0 78 -2,-0.6 2,-0.3 1,-0.4 -1,-0.1 0.598 81.0 -3.3 -83.7 -19.5 12.0 1.9 6.8 10 10 A S S S- 0 0 41 224,-0.2 -1,-0.4 213,-0.1 2,-0.3 -0.950 78.6-117.9-161.4 164.5 15.2 4.0 6.9 11 11 A F - 0 0 11 19,-2.6 2,-0.3 -2,-0.3 224,-0.0 -0.816 19.9-159.9-119.1 156.2 16.2 7.5 6.4 12 12 A S > - 0 0 12 -2,-0.3 3,-1.3 453,-0.0 2,-0.2 -0.982 25.9-107.7-138.4 146.8 18.5 9.2 3.9 13 13 A E T 3 S+ 0 0 144 -2,-0.3 12,-0.0 1,-0.2 14,-0.0 -0.539 102.4 20.1 -72.1 127.6 20.3 12.5 3.6 14 14 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 0.392 76.3 151.2 94.8 1.9 18.7 14.8 1.0 15 15 A N X - 0 0 14 -3,-1.3 3,-1.7 1,-0.2 -1,-0.3 -0.574 43.5-143.1 -73.8 123.0 15.3 13.3 0.8 16 16 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.2 0, 0.0 269,-0.1 0.600 96.1 65.4 -55.6 -20.5 12.9 16.1 -0.2 17 17 A A T 3 S+ 0 0 5 1,-0.1 32,-2.9 266,-0.1 2,-0.4 0.616 93.2 67.6 -82.8 -11.7 10.3 14.6 2.1 18 18 A I E < -H 48 0B 14 -3,-1.7 2,-0.5 30,-0.2 30,-0.2 -0.946 60.9-162.3-116.4 123.3 12.2 15.2 5.4 19 19 A N E -H 47 0B 57 28,-2.2 28,-2.5 -2,-0.4 2,-0.4 -0.877 11.8-156.1 -99.5 133.8 12.9 18.6 7.0 20 20 A F E -H 46 0B 75 -2,-0.5 2,-0.4 26,-0.2 26,-0.2 -0.864 9.3-173.0-110.7 138.4 15.6 18.6 9.6 21 21 A Q E -H 45 0B 21 24,-2.7 24,-3.4 -2,-0.4 3,-0.3 -0.999 52.3 -22.8-133.6 127.3 15.8 21.3 12.4 22 22 A G E S+H 44 0B 58 -2,-0.4 22,-0.3 22,-0.2 13,-0.1 -0.568 122.1 0.1 86.0-135.0 18.7 21.7 14.9 23 23 A D S S+ 0 0 27 20,-3.3 21,-0.2 -2,-0.3 -1,-0.2 0.127 85.3 144.2 -82.5 19.8 21.1 18.9 15.8 24 24 A V - 0 0 21 -3,-0.3 2,-0.3 21,-0.2 10,-0.2 -0.224 23.4-177.4 -67.2 140.0 19.7 16.1 13.6 25 25 A T E -B 33 0A 67 8,-1.5 8,-2.8 10,-0.1 2,-0.5 -0.952 22.5-142.9-139.8 147.5 21.9 13.6 12.0 26 26 A V E -B 32 0A 23 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.982 26.5-146.5-111.3 121.7 21.4 10.6 9.6 27 27 A L > - 0 0 51 4,-2.8 3,-2.4 -2,-0.5 -16,-0.1 -0.542 29.0-101.5 -86.4 166.8 23.7 7.8 10.4 28 28 A S T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.792 120.9 60.1 -58.7 -18.8 25.3 5.4 7.9 29 29 A N T 3 S- 0 0 92 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.582 117.9-106.6 -89.1 -5.0 22.6 2.9 9.0 30 30 A G S < S+ 0 0 6 -3,-2.4 -19,-2.6 1,-0.4 2,-0.2 0.431 80.2 127.3 96.0 -6.5 19.6 5.0 8.0 31 31 A N - 0 0 18 -21,-0.2 -4,-2.8 188,-0.0 -1,-0.4 -0.613 56.4-131.8 -79.0 153.4 18.7 5.8 11.6 32 32 A I E -BC 26 220A 0 188,-1.9 188,-2.0 -6,-0.2 2,-0.6 -0.900 10.8-152.3-108.3 133.8 18.2 9.4 12.5 33 33 A Q E -BC 25 219A 36 -8,-2.8 -8,-1.5 -2,-0.4 186,-0.2 -0.948 5.6-164.1-107.6 112.2 20.0 10.8 15.7 34 34 A L + 0 0 0 184,-1.9 2,-0.3 -2,-0.6 -11,-0.2 0.809 63.4 43.2 -69.8 -36.5 18.0 13.7 17.1 35 35 A T S S- 0 0 5 183,-0.4 2,-0.6 181,-0.1 183,-0.2 -0.781 73.0-123.6-115.6 164.9 20.6 15.2 19.5 36 36 A N > - 0 0 62 -2,-0.3 3,-1.2 1,-0.1 6,-0.3 -0.913 16.9-152.9 -98.4 121.9 24.3 16.1 19.5 37 37 A L T 3 S+ 0 0 42 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.715 90.5 52.0 -69.7 -23.4 26.1 14.5 22.3 38 38 A N T 3 S+ 0 0 149 2,-0.1 2,-0.4 177,-0.0 -1,-0.2 0.275 94.6 89.6 -95.5 8.0 28.9 17.1 22.6 39 39 A K S X S- 0 0 101 -3,-1.2 3,-0.9 172,-0.1 2,-0.2 -0.900 74.9-122.3-113.9 139.9 26.6 20.2 22.8 40 40 A V T 3 S- 0 0 73 -2,-0.4 172,-0.2 1,-0.2 171,-0.1 -0.534 95.1 -0.2 -76.0 138.4 25.0 21.9 25.8 41 41 A N T 3 S- 0 0 55 -2,-0.2 -1,-0.2 1,-0.1 170,-0.2 0.754 90.0-168.2 51.1 40.5 21.1 22.1 25.6 42 42 A S < - 0 0 3 -3,-0.9 168,-1.7 169,-0.3 2,-0.3 -0.138 11.0-175.8 -58.7 148.0 21.0 20.3 22.3 43 43 A V E + I 0 209B 10 166,-0.2 -20,-3.3 59,-0.1 2,-0.4 -0.992 7.3 170.2-147.2 133.4 17.7 20.1 20.2 44 44 A G E -HI 22 208B 0 164,-1.7 164,-1.9 -2,-0.3 2,-0.3 -0.980 5.6-177.1-146.7 140.6 17.0 18.4 17.0 45 45 A R E -HI 21 207B 2 -24,-3.4 -24,-2.7 -2,-0.4 2,-0.4 -0.978 9.2-161.4-137.8 147.1 13.7 17.8 15.3 46 46 A V E -HI 20 206B 5 160,-2.2 160,-2.1 -2,-0.3 2,-0.3 -1.000 16.0-173.3-131.3 136.1 12.7 15.9 12.1 47 47 A L E -HI 19 205B 1 -28,-2.5 -28,-2.2 -2,-0.4 2,-0.8 -0.926 35.9-107.4-134.5 152.9 9.4 16.6 10.2 48 48 A Y E -H 18 0B 11 156,-2.4 156,-0.4 -2,-0.3 -30,-0.2 -0.795 40.5-139.3 -77.6 119.4 7.3 15.2 7.3 49 49 A A S S+ 0 0 18 -32,-2.9 -1,-0.2 -2,-0.8 -31,-0.1 0.616 76.1 78.2 -57.1 -25.4 8.0 18.0 4.9 50 50 A M S S- 0 0 11 -33,-0.4 154,-0.3 154,-0.1 2,-0.2 -0.695 83.3-120.7 -95.6 137.6 4.5 18.3 3.5 51 51 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.537 28.4-145.8 -69.4 141.0 1.8 20.1 5.4 52 52 A V E -J 202 0B 3 150,-2.6 150,-2.2 -2,-0.2 2,-1.2 -0.965 9.1-131.7-114.1 129.0 -1.2 17.7 6.1 53 53 A R E +J 201 0B 31 -2,-0.5 148,-0.2 148,-0.2 147,-0.1 -0.694 29.7 175.1 -83.6 95.6 -4.7 19.0 6.1 54 54 A I + 0 0 5 146,-1.3 9,-2.4 -2,-1.2 2,-0.4 0.681 63.3 17.3 -75.6 -28.4 -6.2 17.6 9.2 55 55 A W B -O 62 0C 41 145,-0.9 2,-0.4 7,-0.2 7,-0.2 -0.992 69.5-135.2-145.8 148.9 -9.5 19.3 9.2 56 56 A S - 0 0 9 5,-2.2 191,-0.0 -2,-0.4 139,-0.0 -0.896 2.7-159.3-103.6 138.1 -11.6 21.1 6.6 57 57 A S S S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.1 3,-0.0 0.655 91.0 61.2 -85.5 -21.3 -13.3 24.3 7.2 58 58 A A S S+ 0 0 93 3,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.964 119.8 21.0 -63.6 -63.3 -15.8 23.8 4.3 59 59 A T S S- 0 0 53 2,-0.1 172,-0.0 173,-0.0 -3,-0.0 -0.562 94.1-117.4 -91.1 172.4 -17.3 20.6 5.7 60 60 A G + 0 0 45 -2,-0.2 -3,-0.1 -5,-0.1 -2,-0.0 0.350 66.2 138.8-101.1 14.8 -16.8 20.3 9.4 61 61 A N - 0 0 52 169,-0.2 -5,-2.2 -6,-0.1 2,-0.4 -0.121 37.3-162.8 -67.5 143.5 -14.7 17.0 9.1 62 62 A V B -O 55 0C 14 -7,-0.2 168,-0.4 166,-0.0 -7,-0.2 -0.909 26.1-120.0-120.1 143.7 -11.6 16.0 11.0 63 63 A A - 0 0 6 -9,-2.4 2,-0.3 -2,-0.4 166,-0.2 -0.539 14.8-136.3 -86.5 155.1 -9.4 13.2 9.6 64 64 A S E -D 228 0A 11 164,-1.9 164,-2.3 -2,-0.2 2,-0.3 -0.756 26.2-168.1-103.0 155.5 -8.5 9.9 11.4 65 65 A F E -DE 227 167A 4 102,-1.6 102,-2.6 -2,-0.3 2,-0.4 -0.992 20.1-160.6-151.0 151.8 -5.0 8.7 11.3 66 66 A L E +DE 226 166A 24 160,-2.8 160,-1.0 -2,-0.3 2,-0.3 -0.979 22.3 166.0-130.8 121.2 -2.9 5.7 12.1 67 67 A T E -DE 225 165A 1 98,-2.3 98,-2.7 -2,-0.4 2,-0.3 -0.975 11.8-175.1-139.9 148.7 0.8 5.9 12.6 68 68 A S E +DE 224 164A 42 156,-2.1 156,-2.6 -2,-0.3 2,-0.3 -0.984 10.8 161.3-140.5 146.1 3.5 3.7 14.0 69 69 A F E -DE 223 163A 7 94,-1.7 94,-2.3 -2,-0.3 2,-0.4 -0.960 23.3-140.0-157.6 166.3 7.2 4.2 14.7 70 70 A S E +DE 222 162A 11 152,-1.5 151,-2.5 -2,-0.3 152,-1.1 -0.998 20.7 173.2-136.8 142.1 10.1 2.8 16.6 71 71 A F E -DE 220 161A 1 90,-1.3 90,-2.7 -2,-0.4 2,-0.3 -0.743 16.8-147.7-136.0 178.9 12.8 4.5 18.5 72 72 A E E -DE 219 160A 18 147,-1.6 147,-2.5 -2,-0.2 2,-0.4 -0.958 3.2-163.7-152.8 134.2 15.7 3.7 20.8 73 73 A M E -D 218 0A 3 86,-0.5 85,-2.6 83,-0.4 2,-0.4 -0.942 15.3-172.6-116.7 141.7 17.2 5.7 23.6 74 74 A K E -D 217 0A 84 143,-1.9 143,-2.6 -2,-0.4 83,-0.1 -0.997 21.3-116.8-142.9 133.9 20.6 4.7 24.8 75 75 A D - 0 0 82 -2,-0.4 2,-0.4 141,-0.2 141,-0.1 -0.220 22.1-155.5 -60.5 152.0 22.8 5.8 27.8 76 76 A I > - 0 0 31 139,-0.5 3,-1.4 3,-0.4 139,-0.2 -0.983 34.3 -84.5-133.0 143.4 26.2 7.5 27.3 77 77 A K T 3 S+ 0 0 176 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.046 102.6 0.1 -50.1 141.8 29.0 7.5 29.9 78 78 A D T 3 S+ 0 0 146 1,-0.1 2,-0.4 0, 0.0 -1,-0.2 0.291 107.3 101.9 63.0 -6.1 29.1 10.0 32.7 79 79 A Y S < S- 0 0 84 -3,-1.4 -3,-0.4 136,-0.1 135,-0.2 -0.839 77.2-111.4-112.2 150.0 25.9 11.8 31.7 80 80 A D B -p 214 0D 99 133,-2.1 2,-1.1 -2,-0.4 135,-0.8 -0.591 39.9-110.7 -72.3 123.5 22.4 11.5 33.1 81 81 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.388 60.2-169.8 -62.1 95.8 20.0 9.8 30.6 82 82 A A - 0 0 2 -2,-1.1 134,-0.3 129,-0.1 129,-0.2 -0.970 20.4 -10.1-144.6 156.8 17.8 12.9 29.6 83 83 A D - 0 0 3 -2,-0.3 41,-1.3 132,-0.2 42,-0.5 -1.000 62.3-135.8-117.6 -12.8 15.5 14.1 28.3 84 84 A G E -KL 123 209B 0 125,-0.5 125,-0.9 39,-0.2 2,-0.3 -0.703 18.8 -80.4 131.1 175.7 13.3 12.2 26.0 85 85 A I E -KL 122 208B 0 37,-1.7 37,-2.9 -2,-0.2 2,-0.3 -0.821 28.6-163.8-117.7 157.9 11.5 12.1 22.7 86 86 A I E -KL 121 207B 0 121,-1.6 121,-1.8 -2,-0.3 2,-0.6 -0.995 12.7-148.1-143.7 133.9 8.1 13.6 21.7 87 87 A F E -KL 120 206B 5 33,-2.7 33,-2.6 -2,-0.3 2,-0.3 -0.950 38.2-179.1 -99.9 125.0 6.0 12.8 18.6 88 88 A F E -KL 119 205B 0 117,-2.8 117,-2.2 -2,-0.6 2,-0.4 -0.845 36.9-150.4-134.6 163.0 4.2 16.0 17.8 89 89 A I E +KL 118 204B 4 29,-2.4 29,-1.7 -2,-0.3 115,-0.2 -0.994 33.0 163.8-123.1 124.7 1.7 17.8 15.6 90 90 A A E - 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