==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 04-OCT-99 1QMO . COMPND 2 MOLECULE: MANNOSE BINDING LECTIN, FRIL; . SOURCE 2 ORGANISM_SCIENTIFIC: DOLICHOS LAB LAB; . AUTHOR T.W.HAMELRYCK,J.G.MOORE,M.CHRISPEELS,R.LORIS,L.WYNS . 920 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 596 64.8 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 . 408 44.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 72 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 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 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 . 4 8 4 4 8 12 14 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 4 0 0 0 0 0 0 0 0 2 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 12 0, 0.0 122,-2.1 0, 0.0 123,-0.9 0.000 360.0 360.0 360.0 -46.2 67.2 -4.1 22.3 2 2 A Q E +AB 122 570A 16 568,-1.3 568,-2.1 120,-0.2 2,-0.3 -0.997 360.0 179.0-150.9 148.4 66.2 -3.3 25.9 3 3 A S E -AB 121 569A 33 118,-1.7 118,-2.5 -2,-0.3 2,-0.4 -0.979 3.9-175.6-148.4 137.3 67.8 -2.7 29.3 4 4 A L E +AB 120 568A 5 564,-2.6 564,-3.8 -2,-0.3 2,-0.4 -0.992 7.4 168.3-137.9 131.6 66.2 -2.0 32.7 5 5 A S E +AB 119 567A 33 114,-2.9 114,-2.7 -2,-0.4 2,-0.3 -0.973 3.4 169.4-145.4 130.0 67.9 -1.2 35.9 6 6 A F E -AB 118 566A 2 560,-3.2 560,-2.6 -2,-0.4 2,-0.4 -0.985 11.8-162.2-141.2 148.9 66.6 0.2 39.2 7 7 A S E -AB 117 565A 30 110,-2.3 110,-1.6 -2,-0.3 2,-0.4 -0.993 4.3-172.6-135.7 139.3 67.8 0.6 42.7 8 8 A F E +AB 116 564A 1 556,-2.1 556,-0.8 -2,-0.4 108,-0.2 -0.984 14.5 162.4-124.4 136.8 66.1 1.2 46.1 9 9 A T S S+ 0 0 78 106,-2.0 554,-0.3 1,-0.5 2,-0.3 0.395 76.4 20.0-131.1 -6.0 68.0 2.0 49.3 10 10 A K S S- 0 0 19 105,-0.9 2,-0.6 552,-0.1 -1,-0.5 -0.939 77.2-126.9-153.6 157.4 65.2 3.4 51.4 11 11 A F - 0 0 1 18,-1.0 18,-0.4 -2,-0.3 19,-0.1 -0.904 20.4-147.6-121.7 106.2 61.5 2.9 51.0 12 12 A D - 0 0 5 -2,-0.6 3,-0.3 17,-0.1 15,-0.0 -0.322 21.6-120.1 -65.8 149.6 59.5 6.1 50.8 13 13 A P S S+ 0 0 107 0, 0.0 2,-0.9 0, 0.0 13,-0.1 0.878 111.3 45.3 -57.9 -43.0 55.9 6.0 52.3 14 14 A N S S+ 0 0 96 1,-0.0 2,-1.5 3,-0.0 3,-0.1 -0.760 74.4 176.8-105.5 83.0 54.4 7.0 49.0 15 15 A Q > + 0 0 9 -2,-0.9 3,-1.7 -3,-0.3 -1,-0.0 -0.582 3.4 177.6 -90.7 75.1 56.3 4.7 46.6 16 16 A E T 3 S+ 0 0 89 -2,-1.5 -1,-0.2 1,-0.3 154,-0.0 0.669 75.4 61.1 -49.5 -22.0 54.5 5.6 43.4 17 17 A D T 3 S+ 0 0 1 -3,-0.1 36,-1.5 151,-0.1 2,-0.3 0.024 96.4 66.7-101.2 28.3 56.9 3.3 41.5 18 18 A L E < S-P 52 0B 11 -3,-1.7 2,-0.4 34,-0.2 34,-0.2 -0.948 73.9-132.0-139.5 154.9 55.9 0.1 43.3 19 19 A I E -P 51 0B 55 32,-2.3 32,-1.8 -2,-0.3 2,-0.4 -0.938 21.4-148.2-113.3 139.8 52.7 -1.9 43.2 20 20 A F E +P 50 0B 77 -2,-0.4 2,-0.4 30,-0.2 30,-0.2 -0.900 18.3 174.4-116.0 133.5 51.3 -3.0 46.5 21 21 A Q E > -P 49 0B 27 28,-2.2 28,-3.0 -2,-0.4 3,-0.8 -1.000 53.7 -12.6-136.3 133.3 49.3 -6.1 47.2 22 22 A G E 3 S-P 48 0B 50 -2,-0.4 26,-0.3 26,-0.2 12,-0.1 -0.443 119.2 -25.2 80.6-152.4 48.1 -7.4 50.5 23 23 A H T 3 S+ 0 0 95 24,-2.3 25,-0.2 10,-0.2 -1,-0.2 0.321 96.2 130.6 -82.4 8.0 49.3 -6.2 53.9 24 24 A A < + 0 0 4 -3,-0.8 9,-0.3 23,-0.4 2,-0.2 -0.395 27.3 141.1 -64.5 137.3 52.5 -5.0 52.3 25 25 A T E -C 32 0A 68 7,-1.6 7,-2.3 9,-0.1 2,-0.3 -0.832 39.8-118.7-156.0-167.4 53.4 -1.4 53.2 26 26 A S E +C 31 0A 13 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.971 31.2 151.0-154.0 135.2 56.3 0.8 54.1 27 27 A T E > +C 30 0A 71 3,-1.4 3,-2.3 -2,-0.3 -16,-0.1 -0.972 65.7 24.8-156.4 157.6 57.3 2.9 57.2 28 28 A N T 3 S- 0 0 142 -2,-0.3 3,-0.1 1,-0.3 -16,-0.1 0.809 129.6 -65.6 51.5 30.6 60.6 4.0 58.8 29 29 A N T 3 S+ 0 0 95 -18,-0.4 -18,-1.0 1,-0.2 -1,-0.3 0.568 113.1 103.0 71.1 12.8 62.1 3.6 55.3 30 30 A V E < S-C 27 0A 29 -3,-2.3 -3,-1.4 -20,-0.2 2,-0.6 -0.811 73.7-109.4-122.7 166.7 61.7 -0.1 55.1 31 31 A L E -CD 26 561A 0 530,-3.4 530,-1.9 -2,-0.3 2,-1.0 -0.837 22.1-166.4 -98.5 116.7 59.4 -2.5 53.4 32 32 A Q E +CD 25 560A 21 -7,-2.3 -7,-1.6 -2,-0.6 528,-0.2 -0.740 11.9 173.5-104.1 85.3 56.9 -4.3 55.6 33 33 A V + 0 0 0 526,-1.2 2,-0.4 -2,-1.0 517,-0.3 0.571 66.3 59.5 -67.5 -8.9 55.6 -7.0 53.3 34 34 A T S S- 0 0 0 525,-0.9 525,-0.2 -11,-0.1 -9,-0.1 -0.979 96.1 -99.7-126.6 136.4 53.7 -8.5 56.3 35 35 A K - 0 0 20 -2,-0.4 8,-0.9 1,-0.1 2,-0.4 0.071 41.1-142.9 -46.3 157.1 51.0 -6.9 58.5 36 36 A L B -V 42 0C 62 6,-0.2 2,-0.1 -13,-0.1 -1,-0.1 -0.984 13.3-114.5-139.0 144.6 52.0 -5.5 61.8 37 37 A D > - 0 0 64 4,-3.8 3,-4.8 -2,-0.4 4,-0.3 -0.451 39.1-114.8 -66.5 135.4 50.7 -5.1 65.4 38 38 A S T 3 S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.2 -2,-0.0 0.497 121.7 54.7 -53.6 0.6 50.2 -1.5 66.2 39 39 A A T 3 S- 0 0 73 2,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.448 129.7 -97.2-110.0 -8.5 53.0 -2.1 68.7 40 40 A G S < S+ 0 0 27 -3,-4.8 -2,-0.2 1,-0.3 -4,-0.0 0.717 80.3 132.0 98.3 26.6 55.3 -3.4 66.0 41 41 A N - 0 0 41 -4,-0.3 -4,-3.8 37,-0.1 -1,-0.3 -0.867 60.5-101.5-112.7 144.9 54.8 -7.1 66.4 42 42 A P B -V 36 0C 5 0, 0.0 2,-0.2 0, 0.0 -6,-0.2 -0.287 35.6-149.3 -63.8 145.2 54.1 -9.6 63.6 43 43 A V - 0 0 57 -8,-0.9 514,-0.4 514,-0.2 3,-0.3 -0.592 15.3-104.6-109.9 173.1 50.6 -10.8 63.0 44 44 A S S S+ 0 0 59 1,-0.2 510,-0.2 -2,-0.2 512,-0.1 -0.639 89.3 21.3-100.8 156.0 49.2 -14.1 61.8 45 45 A S S S+ 0 0 65 508,-1.0 2,-0.4 510,-0.3 508,-0.2 0.894 84.2 150.9 58.3 46.9 47.6 -15.0 58.4 46 46 A S - 0 0 2 -3,-0.3 506,-2.6 507,-0.1 2,-0.4 -0.872 26.2-175.3-114.9 144.7 49.3 -12.2 56.5 47 47 A A E + Q 0 551B 8 -2,-0.4 -24,-2.3 504,-0.2 2,-0.4 -0.991 7.4 173.5-138.6 126.8 50.3 -11.9 52.8 48 48 A G E +PQ 22 550B 0 502,-2.5 502,-2.3 -2,-0.4 2,-0.3 -0.997 3.3 179.5-138.4 138.5 52.2 -9.0 51.2 49 49 A R E -PQ 21 549B 4 -28,-3.0 -28,-2.2 -2,-0.4 2,-0.4 -0.984 9.7-164.1-139.0 148.5 53.7 -8.4 47.8 50 50 A V E -PQ 20 548B 0 498,-2.5 498,-1.9 -2,-0.3 2,-0.4 -0.997 8.5-170.9-132.5 136.6 55.5 -5.7 46.0 51 51 A L E -PQ 19 547B 3 -32,-1.8 -32,-2.3 -2,-0.4 2,-0.3 -0.985 29.9-112.2-130.1 137.3 56.0 -5.4 42.3 52 52 A Y E -P 18 0B 1 494,-2.6 494,-0.3 -2,-0.4 -34,-0.2 -0.542 31.8-126.5 -69.6 129.2 58.2 -3.0 40.3 53 53 A S S S+ 0 0 20 -36,-1.5 -1,-0.1 -2,-0.3 -35,-0.1 0.859 85.2 72.6 -38.3 -60.5 55.9 -0.7 38.3 54 54 A A S S- 0 0 2 -37,-0.2 492,-0.4 115,-0.1 77,-0.1 -0.289 81.5-122.5 -69.4 142.9 57.4 -1.3 34.9 55 55 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 490,-0.2 -0.359 26.5-140.4 -74.2 164.7 57.0 -4.5 32.9 56 56 A L E -W 544 0D 10 488,-3.1 488,-2.5 -2,-0.1 2,-0.5 -0.994 6.8-129.9-135.9 131.0 60.1 -6.3 31.9 57 57 A R E +W 543 0D 17 -2,-0.4 486,-0.2 486,-0.2 3,-0.1 -0.673 27.8 171.9 -80.0 123.1 61.0 -8.0 28.7 58 58 A L - 0 0 1 484,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.752 62.6 -1.3-101.3 -30.3 62.3 -11.5 29.4 59 59 A W - 0 0 48 483,-0.9 -1,-0.3 511,-0.1 2,-0.3 -0.985 52.5-169.0-157.7 165.1 62.4 -12.8 25.9 60 60 A E > - 0 0 30 -2,-0.3 3,-1.1 3,-0.2 511,-0.1 -0.967 37.2-107.2-160.7 141.7 61.7 -12.2 22.2 61 61 A D T 3 S+ 0 0 142 -2,-0.3 2,-1.5 1,-0.3 -1,-0.2 0.857 116.8 33.6 -34.5 -70.5 61.6 -14.2 19.0 62 62 A S T 3 S+ 0 0 66 -3,-0.1 511,-2.6 511,-0.0 2,-0.4 -0.427 99.6 110.0 -90.9 64.8 64.8 -13.0 17.4 63 63 A A E < -E 572 0A 1 -2,-1.5 509,-0.3 -3,-1.1 -3,-0.2 -0.997 41.5-174.9-139.3 135.5 66.7 -12.5 20.7 64 64 A V E + 0 0 34 507,-1.4 2,-0.2 -2,-0.4 508,-0.1 -0.333 60.6 32.8-139.7 70.1 69.6 -14.4 22.1 65 65 A L E + 0 0 4 506,-0.2 506,-2.5 -2,-0.1 2,-0.4 -0.461 50.8 176.3 162.6 129.6 70.8 -13.5 25.6 66 66 A T E +E 570 0A 0 504,-0.2 445,-2.4 -2,-0.2 2,-0.3 -0.979 11.5 172.7-145.2 135.8 68.7 -12.3 28.5 67 67 A S E -EF 569 510A 12 502,-2.7 502,-2.8 -2,-0.4 2,-0.3 -0.998 11.5-176.8-148.8 145.2 70.2 -11.7 31.9 68 68 A F E -EF 568 509A 7 441,-1.0 441,-2.0 -2,-0.3 2,-0.4 -0.999 3.4-173.7-143.4 144.2 69.2 -10.3 35.2 69 69 A D E +EF 567 508A 58 498,-2.5 498,-2.6 -2,-0.3 2,-0.3 -0.998 10.2 172.1-135.6 134.7 70.9 -9.7 38.5 70 70 A T E -EF 566 507A 2 437,-1.9 437,-2.3 -2,-0.4 2,-0.4 -0.996 15.3-158.3-143.7 142.4 69.3 -8.5 41.7 71 71 A I E -EF 565 506A 35 494,-2.8 494,-2.9 -2,-0.3 2,-0.4 -0.945 13.5-167.1-122.7 141.9 70.6 -8.1 45.2 72 72 A I E -EF 564 505A 5 433,-2.2 433,-2.2 -2,-0.4 2,-0.5 -0.992 14.3-161.9-133.8 140.8 68.2 -8.0 48.2 73 73 A N E + F 0 504A 28 490,-1.8 489,-2.8 -2,-0.4 2,-0.3 -0.990 28.3 158.6-123.2 121.2 68.6 -7.1 51.8 74 74 A F E -EF 561 503A 1 429,-2.0 429,-3.7 -2,-0.5 2,-0.4 -0.932 28.5-146.1-140.6 160.9 65.9 -8.4 54.0 75 75 A E E -E 560 0A 43 485,-2.5 485,-1.7 -2,-0.3 2,-0.6 -0.996 4.7-166.8-134.6 123.5 65.5 -9.1 57.7 76 76 A I E +E 559 0A 0 425,-0.4 424,-0.5 -2,-0.4 2,-0.3 -0.967 29.4 153.6-112.5 116.4 63.4 -11.9 59.1 77 77 A S E -E 558 0A 5 481,-1.0 481,-4.3 -2,-0.6 422,-0.1 -0.928 26.2-167.0-139.7 161.8 63.0 -11.3 62.8 78 78 A T - 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