==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN (AGGLUTININ) 23-AUG-95 2PEL . COMPND 2 MOLECULE: PEANUT LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARACHIS HYPOGAEA; . AUTHOR R.BANERJEE,K.DAS,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) . 33232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 67.9 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 . 397 42.8 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 . 105 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 7.3 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 17 6 1 0 3 1 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 51 0, 0.0 2,-0.6 0, 0.0 241,-0.3 0.000 360.0 360.0 360.0 136.4 18.2 10.9 41.0 2 2 A E E -A 229 0A 13 227,-2.1 227,-2.3 239,-0.1 2,-0.4 -0.952 360.0-178.9-114.4 106.3 20.5 14.0 40.9 3 3 A T E -A 228 0A 33 -2,-0.6 2,-0.4 237,-0.3 237,-0.3 -0.898 20.9-173.4-119.0 143.0 24.1 13.0 40.4 4 4 A V E +A 227 0A 14 223,-1.8 223,-2.0 -2,-0.4 2,-0.3 -0.998 20.3 163.1-127.2 123.2 27.5 14.8 40.1 5 5 A S E +A 226 0A 50 -2,-0.4 2,-0.3 233,-0.3 233,-0.2 -0.991 6.0 165.8-147.6 144.6 30.6 12.8 39.3 6 6 A F E -A 225 0A 23 219,-2.1 219,-2.8 -2,-0.3 2,-0.4 -0.968 18.2-151.9-154.8 157.3 34.1 13.6 38.0 7 7 A N E -A 224 0A 65 -2,-0.3 2,-0.6 217,-0.2 229,-0.3 -0.962 5.3-172.2-140.1 117.7 37.4 12.0 37.7 8 8 A F E +A 223 0A 18 215,-4.2 215,-2.4 -2,-0.4 3,-0.1 -0.928 13.6 166.6-112.8 106.0 40.8 13.7 37.7 9 9 A N S S- 0 0 80 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.619 81.7 -2.9 -83.9 -22.3 43.7 11.3 36.8 10 10 A S S S- 0 0 39 224,-0.2 -1,-0.3 -3,-0.1 2,-0.3 -0.935 78.5-119.5-161.2 160.9 46.0 14.3 36.3 11 11 A F - 0 0 11 19,-2.9 2,-0.3 -2,-0.3 224,-0.0 -0.746 20.6-161.6-113.3 158.9 45.5 18.1 36.5 12 12 A S > - 0 0 12 -2,-0.3 3,-1.2 453,-0.1 2,-0.3 -0.990 24.8-108.7-142.6 148.4 45.9 20.8 34.0 13 13 A E T 3 S+ 0 0 143 -2,-0.3 12,-0.0 1,-0.2 0, 0.0 -0.582 101.9 23.0 -75.6 132.8 46.4 24.5 34.0 14 14 A G T 3 S+ 0 0 40 -2,-0.3 -1,-0.2 1,-0.3 272,-0.0 0.472 77.3 150.6 90.4 4.5 43.4 26.4 32.6 15 15 A N X - 0 0 11 -3,-1.2 3,-2.0 1,-0.1 -1,-0.3 -0.616 43.1-144.8 -74.5 118.1 40.7 23.8 33.3 16 16 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 269,-0.1 0.653 94.0 65.4 -54.2 -20.9 37.4 25.5 33.9 17 17 A A T 3 S+ 0 0 6 266,-0.1 32,-3.1 1,-0.1 2,-0.4 0.547 93.6 68.1 -83.9 -7.2 36.4 22.9 36.4 18 18 A I E < -H 48 0B 14 -3,-2.0 2,-0.4 30,-0.2 30,-0.2 -0.980 61.4-161.9-120.1 128.9 39.2 23.7 39.0 19 19 A N E -H 47 0B 54 28,-2.1 28,-2.3 -2,-0.4 2,-0.4 -0.878 10.9-154.8-103.4 130.2 39.6 26.8 41.1 20 20 A F E -H 46 0B 76 -2,-0.4 2,-0.4 26,-0.2 26,-0.2 -0.852 9.9-174.1-108.5 139.9 43.0 27.6 42.6 21 21 A Q E -H 45 0B 22 24,-2.7 24,-3.2 -2,-0.4 3,-0.3 -0.996 53.1 -22.5-134.9 129.8 43.4 29.7 45.7 22 22 A G E S-H 44 0B 56 -2,-0.4 22,-0.3 22,-0.2 13,-0.1 -0.412 121.2 -0.6 77.1-144.5 46.8 30.8 47.1 23 23 A D S S+ 0 0 27 20,-3.6 21,-0.2 -2,-0.1 -1,-0.2 0.138 85.3 145.1 -73.3 19.5 50.1 29.1 46.5 24 24 A V - 0 0 22 -3,-0.3 2,-0.3 21,-0.2 10,-0.2 -0.374 24.1-175.7 -66.8 139.8 48.8 26.3 44.2 25 25 A T E -B 33 0A 69 8,-2.2 8,-3.2 -2,-0.1 2,-0.5 -0.941 22.5-141.8-135.0 148.5 50.9 25.0 41.3 26 26 A V E -B 32 0A 25 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.982 27.3-145.4-110.0 117.0 50.3 22.5 38.5 27 27 A L > - 0 0 49 4,-3.2 3,-1.9 -2,-0.5 -16,-0.1 -0.340 27.8-104.1 -82.7 166.9 53.5 20.5 37.8 28 28 A S T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.619 120.8 59.9 -65.4 -10.8 54.6 19.3 34.4 29 29 A N T 3 S- 0 0 93 2,-0.2 -1,-0.3 -19,-0.0 3,-0.1 0.459 119.1-104.3 -95.2 -6.1 53.5 15.8 35.6 30 30 A G S < S+ 0 0 7 -3,-1.9 -19,-2.9 1,-0.4 2,-0.2 0.326 82.0 126.4 97.4 -8.4 49.7 16.7 36.2 31 31 A N - 0 0 16 -21,-0.2 -4,-3.2 188,-0.0 -1,-0.4 -0.498 56.5-132.6 -80.3 151.8 50.2 16.7 40.0 32 32 A I E -BC 26 220A 0 188,-2.2 188,-1.7 -6,-0.2 2,-0.6 -0.867 8.8-152.0-106.5 138.5 49.2 19.8 42.0 33 33 A Q E -BC 25 219A 35 -8,-3.2 -8,-2.2 -2,-0.4 186,-0.2 -0.974 6.4-165.0-113.2 113.2 51.5 21.3 44.6 34 34 A L + 0 0 0 184,-2.5 2,-0.3 -2,-0.6 174,-0.2 0.858 63.7 43.7 -70.4 -40.4 49.5 23.0 47.3 35 35 A T S S- 0 0 5 183,-0.3 2,-0.6 181,-0.2 183,-0.2 -0.718 73.2-124.4-114.5 163.5 52.2 25.2 49.0 36 36 A N > - 0 0 65 -2,-0.3 3,-1.1 1,-0.1 6,-0.2 -0.916 17.6-153.2 -97.6 119.9 55.1 27.4 48.0 37 37 A L T 3 S+ 0 0 42 -2,-0.6 -1,-0.1 1,-0.2 5,-0.0 0.672 91.0 53.9 -67.3 -22.6 58.3 26.1 49.6 38 38 A N T 3 S+ 0 0 147 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.361 93.7 87.6 -93.8 2.7 60.0 29.6 49.6 39 39 A K S X S- 0 0 102 -3,-1.1 3,-0.9 -16,-0.0 2,-0.2 -0.838 74.9-122.8-112.1 143.7 57.2 31.5 51.4 40 40 A V T 3 S+ 0 0 77 -2,-0.4 172,-0.2 1,-0.3 171,-0.1 -0.585 97.4 0.6 -74.9 136.6 56.5 32.1 55.1 41 41 A N T 3 S- 0 0 56 -2,-0.2 -1,-0.3 173,-0.1 170,-0.2 0.796 89.7-170.5 49.1 43.8 53.0 30.8 56.1 42 42 A S < - 0 0 2 -3,-0.9 168,-1.5 169,-0.3 2,-0.3 -0.158 8.9-173.4 -60.2 152.5 52.1 29.5 52.6 43 43 A V E + I 0 209B 10 166,-0.2 -20,-3.6 -9,-0.1 2,-0.3 -0.963 6.7 176.2-151.7 132.9 48.5 28.4 51.9 44 44 A G E +HI 22 208B 0 164,-1.7 164,-1.9 -2,-0.3 2,-0.3 -0.989 3.8 179.9-140.0 133.7 47.3 26.7 48.7 45 45 A R E -HI 21 207B 2 -24,-3.2 -24,-2.7 -2,-0.3 2,-0.4 -0.982 9.1-164.3-137.2 145.1 43.7 25.4 48.1 46 46 A V E -HI 20 206B 7 160,-2.1 160,-1.6 -2,-0.3 2,-0.3 -0.968 13.7-171.5-128.1 140.6 42.2 23.7 45.1 47 47 A L E -HI 19 205B 2 -28,-2.3 -28,-2.1 -2,-0.4 2,-0.5 -0.988 35.4-110.0-138.2 149.8 38.4 23.3 44.6 48 48 A Y E -H 18 0B 10 156,-2.8 156,-0.3 -2,-0.3 -30,-0.2 -0.690 40.5-137.9 -71.8 123.2 35.9 21.6 42.3 49 49 A A S S+ 0 0 21 -32,-3.1 -1,-0.1 -2,-0.5 -31,-0.1 0.646 77.2 79.5 -60.4 -26.4 34.6 24.8 40.6 50 50 A M S S- 0 0 13 -33,-0.3 154,-0.3 154,-0.1 2,-0.2 -0.717 83.1-123.3 -90.8 134.0 30.9 23.9 40.6 51 51 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 152,-0.2 -0.599 28.6-143.6 -67.4 140.7 28.8 24.4 43.7 52 52 A V E -J 202 0B 3 150,-3.3 150,-2.4 -2,-0.2 2,-1.1 -0.937 7.4-132.3-112.5 134.7 27.3 21.0 44.6 53 53 A R E +J 201 0B 29 -2,-0.5 148,-0.2 148,-0.2 147,-0.1 -0.741 31.1 173.4 -85.4 96.2 23.8 20.9 46.1 54 54 A I + 0 0 4 146,-1.7 9,-2.8 -2,-1.1 2,-0.3 0.683 63.1 19.5 -79.8 -25.3 24.2 18.5 49.0 55 55 A W B S-O 62 0C 38 145,-0.8 2,-0.4 7,-0.2 7,-0.2 -0.979 71.4-135.5-146.5 147.5 20.8 18.8 50.7 56 56 A S - 0 0 7 5,-2.3 191,-0.0 -2,-0.3 139,-0.0 -0.903 3.7-159.0-105.8 135.3 17.4 20.0 49.4 57 57 A S S S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.1 0, 0.0 0.712 91.8 61.1 -84.6 -23.8 15.2 22.3 51.3 58 58 A A S S+ 0 0 95 3,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.975 120.9 18.5 -61.5 -60.5 12.1 21.2 49.3 59 59 A T S S- 0 0 54 2,-0.1 172,-0.0 173,-0.0 -4,-0.0 -0.465 93.8-117.9 -92.9 172.7 12.3 17.6 50.3 60 60 A G + 0 0 46 -2,-0.2 -3,-0.1 -5,-0.1 135,-0.1 0.250 64.8 142.5-103.6 17.8 14.4 17.0 53.5 61 61 A N - 0 0 52 169,-0.2 -5,-2.3 -6,-0.1 2,-0.3 -0.175 37.0-161.0 -64.9 145.3 17.0 14.8 51.6 62 62 A V B -O 55 0C 13 -7,-0.2 168,-0.4 166,-0.0 -7,-0.2 -0.901 25.0-122.5-115.5 139.9 20.7 14.8 52.1 63 63 A A - 0 0 5 -9,-2.8 2,-0.3 -2,-0.3 166,-0.2 -0.558 14.4-136.4 -87.6 159.4 22.9 13.3 49.3 64 64 A S E -D 228 0A 10 164,-2.4 164,-2.3 820,-0.2 2,-0.3 -0.733 25.1-166.4-104.7 158.2 25.3 10.4 49.8 65 65 A F E -DE 227 167A 1 102,-1.7 102,-2.2 -2,-0.3 2,-0.4 -0.999 17.9-160.4-149.5 150.2 28.8 10.6 48.3 66 66 A L E +DE 226 166A 22 160,-3.2 160,-1.6 -2,-0.3 2,-0.3 -0.997 22.1 168.1-129.1 128.3 31.7 8.4 47.5 67 67 A T E -DE 225 165A 1 98,-2.3 98,-2.8 -2,-0.4 2,-0.3 -0.999 13.6-176.0-141.7 146.1 35.1 9.9 46.8 68 68 A S E +DE 224 164A 42 156,-1.7 156,-2.7 -2,-0.3 2,-0.3 -0.992 12.2 160.4-139.0 144.6 38.7 8.7 46.5 69 69 A F E -DE 223 163A 5 94,-1.5 94,-2.0 -2,-0.3 2,-0.4 -0.963 23.8-141.3-153.2 165.3 42.0 10.6 46.1 70 70 A S E +DE 222 162A 11 152,-1.3 151,-2.5 -2,-0.3 152,-1.1 -0.977 20.4 174.9-135.8 146.2 45.7 10.1 46.6 71 71 A F E -DE 220 161A 1 90,-1.4 90,-2.7 -2,-0.4 2,-0.3 -0.833 17.1-144.8-138.9 175.7 48.3 12.5 47.8 72 72 A E E -DE 219 160A 20 147,-1.5 147,-2.6 -2,-0.3 2,-0.4 -0.978 4.0-164.2-150.7 130.8 51.9 12.6 48.7 73 73 A M E -D 218 0A 2 86,-0.6 85,-2.7 83,-0.4 86,-0.4 -0.960 15.7-176.2-116.5 135.8 53.8 14.5 51.4 74 74 A K E -D 217 0A 84 143,-1.7 143,-3.6 -2,-0.4 83,-0.1 -0.996 22.8-119.4-142.1 132.1 57.6 14.8 51.1 75 75 A D - 0 0 83 -2,-0.4 2,-0.4 141,-0.2 141,-0.1 -0.197 20.3-154.4 -60.6 152.8 60.2 16.3 53.4 76 76 A I > - 0 0 31 139,-0.5 3,-1.3 3,-0.4 139,-0.1 -0.970 34.5 -86.9-133.0 144.1 62.5 19.1 52.3 77 77 A K T 3 S+ 0 0 173 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 -0.052 102.3 3.1 -53.0 146.6 65.9 19.8 53.8 78 78 A D T 3 S+ 0 0 147 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.278 107.3 98.3 59.5 -5.7 66.4 21.9 56.9 79 79 A Y S < S- 0 0 86 -3,-1.3 -3,-0.4 136,-0.1 135,-0.2 -0.853 78.8-110.4-113.5 150.8 62.6 22.5 57.5 80 80 A D B -p 214 0D 100 133,-2.1 135,-1.2 -2,-0.3 2,-0.9 -0.673 39.7-110.7 -73.9 122.4 60.3 20.7 59.9 81 81 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 135,-0.2 -0.432 60.3-168.9 -59.9 95.4 57.8 18.6 57.9 82 82 A A - 0 0 2 -2,-0.9 134,-0.2 129,-0.1 2,-0.1 -0.943 20.1 -10.8-145.3 159.8 54.6 20.6 58.5 83 83 A D - 0 0 4 -2,-0.3 41,-1.4 132,-0.2 42,-0.6 -0.989 62.7-136.0-115.0 -17.1 51.6 21.1 58.5 84 84 A G E -KL 123 209B 0 125,-0.6 125,-1.0 39,-0.2 2,-0.3 -0.659 20.5 -78.0 128.4 177.6 49.4 18.7 56.5 85 85 A I E -KL 122 208B 0 37,-1.3 37,-3.1 -2,-0.2 2,-0.3 -0.798 29.2-159.6-115.2 158.0 46.5 18.4 54.0 86 86 A I E -KL 121 207B 0 121,-1.7 121,-1.8 -2,-0.3 2,-0.6 -0.991 11.1-148.9-143.2 134.1 42.8 18.7 54.7 87 87 A F E +KL 120 206B 3 33,-2.5 33,-2.2 -2,-0.3 2,-0.3 -0.934 39.6 179.4 -97.6 121.4 39.9 17.4 52.5 88 88 A F E -KL 119 205B 1 117,-3.3 117,-2.4 -2,-0.6 2,-0.4 -0.921 36.4-153.9-137.3 165.5 37.1 19.9 53.1 89 89 A I E +KL 118 204B 4 29,-2.9 29,-1.9 -2,-0.3 115,-0.2 -0.999 31.3 160.1-128.2 125.9 33.5 20.9 52.3 90 90 A A E - 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