==== 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 26-JUN-90 2LTN . COMPND 2 MOLECULE: PEA LECTIN, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PISUM SATIVUM; . AUTHOR F.L.SUDDATH,S.R.PHILLIPS,H.EINSPAHR . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 71.3 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 . 207 45.4 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 . 51 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.4 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 . 2 3 3 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 . 0 0 0 0 0 0 2 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 55 0, 0.0 238,-2.8 0, 0.0 239,-0.5 0.000 360.0 360.0 360.0 146.0 41.4 25.3 75.3 2 2 A E E +AB 228 238A 10 226,-2.2 226,-2.7 236,-0.2 2,-0.3 -0.976 360.0 177.7-142.7 125.0 38.0 26.8 75.7 3 3 A T E -AB 227 237A 17 234,-2.4 234,-2.0 -2,-0.4 2,-0.3 -0.905 8.3-172.1-126.8 151.5 34.7 25.2 74.7 4 4 A T E +AB 226 236A 1 222,-1.4 222,-2.3 -2,-0.3 2,-0.3 -0.953 14.0 169.0-136.3 131.9 31.1 26.4 75.0 5 5 A S E +AB 225 235A 23 230,-2.4 230,-2.6 -2,-0.3 2,-0.3 -0.965 5.2 169.8-144.0 152.1 28.1 24.1 74.2 6 6 A F E -AB 224 234A 3 218,-2.3 218,-2.7 -2,-0.3 2,-0.3 -0.950 11.6-165.9-157.2 152.9 24.4 24.3 74.7 7 7 A L E +AB 223 233A 56 226,-1.7 226,-2.4 -2,-0.3 2,-0.4 -0.969 5.8 179.0-138.9 132.2 21.3 22.4 73.5 8 8 A I E +AB 222 232A 1 214,-2.8 214,-2.6 -2,-0.3 224,-0.2 -0.959 6.3 171.7-132.2 110.2 17.7 23.5 73.8 9 9 A T S S+ 0 0 62 222,-3.0 2,-0.3 -2,-0.4 223,-0.1 0.500 77.1 18.0 -96.5 -8.5 15.2 21.1 72.4 10 10 A K S S- 0 0 51 221,-0.4 -1,-0.3 212,-0.1 20,-0.2 -0.907 80.5-131.4-160.6 128.0 12.1 22.9 73.7 11 11 A F - 0 0 0 18,-2.6 17,-0.3 -2,-0.3 18,-0.1 -0.557 15.8-142.6 -81.1 154.9 12.0 26.5 74.9 12 12 A S - 0 0 9 -2,-0.2 3,-0.4 15,-0.1 15,-0.1 -0.782 24.5-114.1-114.5 157.0 10.4 27.6 78.2 13 13 A P S S+ 0 0 75 0, 0.0 2,-0.6 0, 0.0 13,-0.3 0.764 116.5 44.4 -59.1 -30.0 8.4 30.8 78.9 14 14 A D S S+ 0 0 93 3,-0.0 2,-1.3 2,-0.0 3,-0.1 -0.747 73.1 169.3-116.3 79.7 11.2 32.0 81.3 15 15 A Q > + 0 0 4 -2,-0.6 3,-1.8 -3,-0.4 -4,-0.0 -0.722 4.9 177.1 -94.6 86.9 14.3 31.2 79.2 16 16 A Q T 3 S+ 0 0 67 -2,-1.3 -1,-0.2 1,-0.3 264,-0.1 0.599 70.0 65.8 -71.7 -10.3 16.9 33.0 81.3 17 17 A N T 3 S+ 0 0 3 261,-0.1 30,-2.7 -3,-0.1 2,-0.3 0.300 93.7 73.4 -92.3 4.2 19.9 32.0 79.3 18 18 A L E < S-P 46 0B 11 -3,-1.8 2,-0.5 28,-0.2 28,-0.2 -0.878 71.6-142.1-113.6 154.3 18.6 33.9 76.3 19 19 A I E -P 45 0B 54 26,-3.1 26,-3.0 -2,-0.3 2,-0.4 -0.959 21.5-152.7-107.8 129.2 18.6 37.7 75.8 20 20 A F E -P 44 0B 71 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.824 12.8-175.0-110.1 140.3 15.5 38.9 73.9 21 21 A Q E > -P 43 0B 35 22,-2.7 22,-2.4 -2,-0.4 3,-1.9 -0.963 54.3 -18.8-132.8 146.5 15.3 42.0 71.8 22 22 A G E 3 S-P 42 0B 59 -2,-0.3 20,-0.3 1,-0.3 12,-0.1 -0.274 132.1 -11.3 62.3-123.8 12.4 43.8 70.0 23 23 A D T 3 S+ 0 0 66 18,-2.3 -1,-0.3 10,-0.2 19,-0.2 0.482 99.3 128.2 -87.2 -0.1 9.5 41.3 69.6 24 24 A G < + 0 0 9 -3,-1.9 2,-0.3 19,-0.3 9,-0.2 -0.434 25.1 139.2 -66.8 138.3 11.4 38.1 70.6 25 25 A Y E -C 32 0A 94 7,-1.9 7,-2.8 -2,-0.1 2,-0.3 -0.943 40.2-108.9-168.1 163.5 10.0 35.9 73.3 26 26 A T E +C 31 0A 14 -13,-0.3 5,-0.2 -2,-0.3 -6,-0.0 -0.739 46.3 97.1-113.1 151.9 9.5 32.3 74.1 27 27 A T + 0 0 47 3,-2.4 -15,-0.1 -2,-0.3 4,-0.1 0.351 46.6 70.5 106.9 145.4 6.6 29.9 74.3 28 28 A K S S- 0 0 115 -17,-0.3 3,-0.1 2,-0.0 -16,-0.1 0.086 127.3 -69.4 155.0 38.4 4.5 27.2 73.0 29 29 A E S S+ 0 0 88 1,-0.3 -18,-2.6 -18,-0.1 2,-0.3 0.510 122.0 104.8 73.2 1.3 7.8 25.5 73.7 30 30 A K S S- 0 0 30 -20,-0.2 -3,-2.4 191,-0.0 2,-0.6 -0.781 75.0-123.4-113.4 159.5 9.0 27.7 70.7 31 31 A L E -CD 26 219A 0 188,-3.1 188,-3.2 -2,-0.3 2,-0.5 -0.935 27.0-158.8 -98.1 117.1 11.1 30.8 70.3 32 32 A T E +CD 25 218A 10 -7,-2.8 -7,-1.9 -2,-0.6 186,-0.2 -0.882 19.2 173.4 -99.5 124.7 9.1 33.5 68.4 33 33 A L E S+ 0 0 0 184,-3.1 2,-0.3 -2,-0.5 -10,-0.2 0.840 75.1 1.2 -94.5 -48.4 11.1 36.2 66.7 34 34 A T E - D 0 217A 0 183,-1.5 183,-2.2 173,-0.1 -1,-0.4 -0.989 63.1-144.0-137.4 146.0 8.2 37.9 64.9 35 35 A K - 0 0 121 -2,-0.3 2,-1.7 181,-0.2 180,-0.3 -0.443 56.3 -77.0 -83.7 178.2 4.5 37.2 64.8 36 36 A A S S+ 0 0 46 -2,-0.2 2,-0.3 178,-0.1 180,-0.2 -0.610 91.5 120.0 -84.8 80.4 2.8 37.8 61.4 37 37 A V - 0 0 61 -2,-1.7 3,-0.4 178,-0.4 178,-0.4 -0.935 62.9 -96.0-139.5 155.0 2.7 41.6 61.7 38 38 A K S S+ 0 0 130 -2,-0.3 174,-0.2 1,-0.2 176,-0.1 -0.391 88.5 2.7 -77.9 150.8 4.2 44.4 59.5 39 39 A N S S+ 0 0 123 172,-1.2 2,-0.2 174,-0.3 -1,-0.2 0.819 91.3 131.8 48.3 55.5 7.4 46.3 60.0 40 40 A T - 0 0 23 -3,-0.4 170,-1.9 -5,-0.1 58,-0.4 -0.740 39.5-155.3-129.9 173.3 8.8 44.6 63.0 41 41 A V E + Q 0 209B 32 -2,-0.2 -18,-2.3 168,-0.2 2,-0.3 -0.985 9.4 178.4-146.4 141.3 12.0 43.0 64.3 42 42 A G E +PQ 22 208B 0 166,-2.0 166,-1.8 -2,-0.3 2,-0.3 -0.975 5.1 179.2-143.9 143.3 12.8 40.4 67.0 43 43 A R E -PQ 21 207B 1 -22,-2.4 -22,-2.7 -2,-0.3 2,-0.3 -0.955 10.6-165.3-137.5 158.8 16.2 38.9 68.0 44 44 A A E -PQ 20 206B 0 162,-1.9 162,-2.3 -2,-0.3 2,-0.3 -0.968 10.6-169.8-144.5 131.5 17.3 36.4 70.6 45 45 A L E -PQ 19 205B 2 -26,-3.0 -26,-3.1 -2,-0.3 2,-0.3 -0.880 30.6-107.9-122.5 148.6 20.9 36.0 71.7 46 46 A Y E -P 18 0B 0 158,-2.4 -28,-0.2 -2,-0.3 158,-0.2 -0.533 33.8-129.4 -70.8 138.7 22.7 33.3 73.8 47 47 A S S S+ 0 0 11 -30,-2.7 -29,-0.1 -2,-0.3 -1,-0.1 0.884 83.1 75.4 -59.7 -42.6 23.5 34.9 77.2 48 48 A S S S- 0 0 1 -31,-0.3 156,-0.3 231,-0.1 199,-0.1 -0.657 82.0-124.0 -79.7 135.1 27.2 33.9 77.4 49 49 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 154,-0.2 -0.277 29.1-137.8 -63.9 146.4 29.8 35.7 75.3 50 50 A I E -R 202 0B 0 152,-3.1 152,-2.3 196,-0.0 2,-1.0 -0.958 6.0-131.8-112.4 132.2 31.7 33.2 73.2 51 51 A H E +R 201 0B 4 -2,-0.4 150,-0.2 150,-0.2 3,-0.1 -0.813 34.7 169.5 -89.1 102.6 35.5 33.3 72.8 52 52 A I + 0 0 0 148,-2.2 9,-3.1 -2,-1.0 2,-0.3 0.712 61.5 13.7 -94.2 -17.9 35.8 32.9 69.0 53 53 A W B S-W 60 0C 42 147,-1.1 2,-0.6 7,-0.3 -1,-0.2 -0.955 71.9-127.2-150.7 154.0 39.4 33.8 68.4 54 54 A D > - 0 0 14 5,-2.9 4,-3.0 -2,-0.3 5,-0.2 -0.935 6.4-159.6-111.9 118.7 42.5 34.1 70.7 55 55 A R T 4 S+ 0 0 162 -2,-0.6 -1,-0.1 2,-0.2 145,-0.0 0.850 91.1 52.4 -59.4 -40.8 44.5 37.3 70.6 56 56 A E T 4 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.952 126.3 20.5 -63.5 -52.2 47.6 35.6 72.2 57 57 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.629 92.8-130.4 -93.1 -22.1 47.9 32.7 69.9 58 58 A G < + 0 0 29 -4,-3.0 -3,-0.1 1,-0.3 137,-0.1 0.398 56.8 148.4 76.4 6.7 45.9 33.9 66.8 59 59 A N - 0 0 69 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.3 -0.387 35.8-149.1 -69.6 156.9 43.9 30.6 66.9 60 60 A V B -W 53 0C 18 -7,-0.2 169,-0.4 -3,-0.1 -7,-0.3 -0.892 19.2-108.4-127.7 148.0 40.3 30.7 65.7 61 61 A A - 0 0 0 -9,-3.1 2,-0.4 -2,-0.3 167,-0.2 -0.453 15.4-136.4 -80.4 146.5 37.5 28.5 67.0 62 62 A N E +E 227 0A 76 165,-2.2 165,-2.6 -2,-0.1 2,-0.3 -0.803 35.7 177.0 -85.5 144.5 35.8 25.7 65.1 63 63 A F E -EF 226 166A 6 103,-1.5 103,-3.0 -2,-0.4 2,-0.3 -0.983 22.1-170.9-148.8 157.3 32.0 25.9 65.7 64 64 A V E -EF 225 165A 55 161,-2.4 161,-2.3 -2,-0.3 2,-0.4 -0.979 5.8-175.5-141.1 141.0 28.8 24.2 64.6 65 65 A T E -EF 224 164A 0 99,-2.8 99,-2.7 -2,-0.3 2,-0.4 -0.984 1.7-172.2-134.4 141.6 25.2 25.3 65.2 66 66 A S E +EF 223 163A 41 157,-1.9 157,-2.7 -2,-0.4 2,-0.3 -0.983 14.2 159.8-129.4 145.2 22.1 23.3 64.3 67 67 A F E -EF 222 162A 3 95,-1.9 95,-3.3 -2,-0.4 2,-0.4 -0.959 32.6-135.4-159.3 159.0 18.5 24.7 64.6 68 68 A T E +EF 221 161A 17 153,-1.3 152,-3.2 -2,-0.3 153,-0.9 -0.977 31.5 176.5-118.3 130.7 15.1 24.0 63.2 69 69 A F E -EF 219 160A 3 91,-2.1 91,-2.8 -2,-0.4 2,-0.4 -0.927 16.0-155.9-135.9 159.4 13.1 27.1 62.1 70 70 A V E -E 218 0A 10 148,-2.3 148,-2.5 -2,-0.3 2,-0.5 -0.987 5.0-158.2-135.4 140.1 9.7 27.8 60.5 71 71 A I E -E 217 0A 4 87,-0.5 86,-3.3 -2,-0.4 2,-0.5 -0.996 13.2-170.4-114.4 129.5 8.5 30.7 58.5 72 72 A N E +E 216 0A 74 144,-2.3 144,-3.3 -2,-0.5 84,-0.1 -0.951 9.9 175.4-125.8 103.0 4.7 31.0 58.5 73 73 A A - 0 0 4 -2,-0.5 142,-0.2 142,-0.3 3,-0.1 -0.789 41.0-118.8-108.6 154.4 3.3 33.5 56.1 74 74 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.806 101.3 0.6 -59.1 -34.2 -0.4 34.2 55.3 75 75 A N S > S- 0 0 90 3,-0.4 3,-0.5 -3,-0.0 -3,-0.0 -0.935 74.6-121.2-150.0 151.3 0.2 33.2 51.6 76 76 A S T 3 S+ 0 0 41 -2,-0.3 3,-0.2 1,-0.2 78,-0.1 0.286 104.5 65.6 -78.7 5.9 3.4 32.1 50.0 77 77 A Y T 3 S+ 0 0 173 1,-0.3 2,-0.6 0, 0.0 -1,-0.2 0.756 99.5 45.7 -98.9 -29.6 3.4 34.9 47.5 78 78 A N S < S+ 0 0 87 -3,-0.5 136,-0.5 136,-0.1 -3,-0.4 -0.935 75.5 149.4-119.7 96.7 3.9 37.9 49.8 79 79 A V - 0 0 2 -2,-0.6 2,-0.2 43,-0.3 135,-0.1 -0.898 24.7-146.4-144.9 135.7 6.6 37.3 52.4 80 80 A A - 0 0 1 -2,-0.4 2,-0.3 43,-0.1 131,-0.2 -0.885 37.1 -20.3-135.0 179.8 8.7 39.3 53.9 81 81 A D - 0 0 7 129,-0.3 41,-1.6 -2,-0.2 42,-0.8 -0.951 66.9-130.5 -69.6 -50.8 11.8 40.1 55.3 82 82 A G E -ST 121 209B 0 127,-1.5 127,-1.9 -2,-0.3 2,-0.3 -0.908 10.8 -97.6 147.2-175.2 13.8 37.0 56.3 83 83 A F E -ST 120 208B 0 37,-1.7 37,-2.8 -2,-0.3 2,-0.3 -0.941 27.3-165.8-136.3 152.1 15.7 35.5 59.2 84 84 A T E -ST 119 207B 0 123,-3.0 123,-1.9 -2,-0.3 2,-0.4 -0.983 22.2-146.0-140.4 156.0 19.3 35.3 60.1 85 85 A F E -ST 118 206B 4 33,-2.1 33,-2.9 -2,-0.3 2,-0.3 -0.972 41.9-175.4-107.6 139.2 21.7 33.4 62.4 86 86 A F E -ST 117 205B 1 119,-3.0 119,-1.9 -2,-0.4 2,-0.4 -0.889 33.1-152.2-142.2 156.8 24.4 36.0 63.3 87 87 A I E +ST 116 204B 4 29,-2.5 29,-2.0 -2,-0.3 117,-0.2 -1.000 38.0 151.0-125.7 123.3 27.7 36.5 65.1 88 88 A A E - 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