==== 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 SEED STORAGE PROTEIN 10-JUN-93 1CAX . COMPND 2 MOLECULE: CANAVALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR T-P.KO,J.D.NG,J.DAY,A.GREENWOOD,A.MCPHERSON . 1095 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41064.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 741 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 380 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 1.3 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 . 2 0.2 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 . 140 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 3 0 1 4 5 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 14 8 15 15 4 4 6 7 0 0 0 0 1 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 2 5 2 1 0 0 1 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 44 A A 0 0 112 0, 0.0 2,-4.9 0, 0.0 32,-0.0 0.000 360.0 360.0 360.0-117.6 28.0 15.8 15.8 2 45 A Q + 0 0 102 2,-0.1 2,-0.6 1,-0.0 0, 0.0 0.197 360.0 74.8 36.7 -19.3 29.7 19.3 16.6 3 46 A N + 0 0 143 -2,-4.9 31,-0.1 2,-0.0 30,-0.1 -0.994 68.8 163.7-115.9 101.9 28.1 18.5 19.9 4 47 A N > - 0 0 45 29,-1.5 3,-0.8 -2,-0.6 2,-0.6 -0.815 35.7-129.4-134.8 94.1 30.4 15.9 21.3 5 48 A P T 3 S- 0 0 103 0, 0.0 29,-0.1 0, 0.0 -2,-0.0 -0.271 72.0 -37.1 -57.0 98.4 30.3 15.0 25.1 6 49 A Y T 3 S+ 0 0 37 -2,-0.6 2,-0.6 27,-0.2 28,-0.1 0.471 85.4 151.7 77.6 6.3 33.9 15.0 26.8 7 50 A L < + 0 0 70 -3,-0.8 -1,-0.2 26,-0.2 30,-0.1 -0.683 35.8 170.1-102.8 137.5 36.2 13.6 24.2 8 51 A F + 0 0 5 -2,-0.6 281,-2.2 281,-0.1 2,-0.5 -0.100 62.7 108.3-102.3 15.9 39.8 14.2 23.5 9 52 A R E +A 288 0A 84 279,-0.2 2,-0.3 270,-0.0 279,-0.2 -0.943 47.6 177.9-108.2 120.2 39.4 11.2 21.1 10 53 A S E +A 287 0A 25 277,-2.6 277,-2.2 -2,-0.5 3,-0.1 -0.925 26.8 146.8-126.1 151.6 39.5 12.1 17.4 11 54 A N + 0 0 41 -2,-0.3 2,-0.5 275,-0.2 -1,-0.1 0.461 49.4 97.9-147.1 -30.2 39.4 10.1 14.1 12 55 A K + 0 0 120 1,-0.0 16,-0.6 274,-0.0 -1,-0.1 -0.750 37.2 164.8 -92.3 112.1 37.6 12.4 11.5 13 56 A F - 0 0 22 -2,-0.5 2,-0.4 14,-0.2 14,-0.2 -0.053 33.1-114.9 -97.7-162.8 39.2 14.5 8.9 14 57 A L - 0 0 62 -2,-0.1 12,-1.6 3,-0.0 622,-0.1 -0.980 27.1-115.5-140.6 124.4 37.9 16.2 5.8 15 58 A T E +G 25 0B 56 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.392 34.4 173.4 -63.2 138.4 38.9 15.4 2.4 16 59 A L E S- 0 0 18 8,-1.8 -1,-0.2 1,-0.2 9,-0.2 0.418 71.1 -13.0-114.7 -20.7 40.7 18.4 1.0 17 60 A F E -G 24 0B 13 7,-1.0 7,-0.9 -3,-0.1 2,-0.4 -0.538 58.8-175.9 176.4 121.3 41.7 16.7 -2.1 18 61 A K E +G 23 0B 147 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.987 18.2 144.8-133.3 135.4 41.9 13.2 -3.4 19 62 A N E > -G 22 0B 27 3,-2.3 2,-3.7 -2,-0.4 3,-1.8 -0.921 65.2 -89.1-153.0 148.9 43.3 11.9 -6.7 20 63 A Q T 3 S+ 0 0 156 -2,-0.3 3,-0.1 1,-0.3 30,-0.0 -0.231 125.5 57.9 -72.6 61.8 45.1 8.6 -7.3 21 64 A H T 3 S- 0 0 39 -2,-3.7 30,-3.5 1,-0.3 2,-0.3 0.217 121.9 -57.8-145.3 -38.2 48.3 10.2 -6.5 22 65 A G E < -GH 19 50B 8 -3,-1.8 -3,-2.3 28,-0.3 -1,-0.3 -0.989 41.1-122.7 173.0-176.0 47.3 11.3 -3.1 23 66 A S E -GH 18 49B 22 26,-1.1 26,-2.3 -2,-0.3 2,-0.4 -0.883 9.2-145.3-143.4 168.3 45.1 13.2 -0.8 24 67 A L E -GH 17 48B 12 -7,-0.9 -8,-1.8 -2,-0.3 -7,-1.0 -0.967 20.1-170.8-129.3 139.2 45.3 15.9 1.8 25 68 A R E -GH 15 47B 59 22,-2.0 22,-3.3 -2,-0.4 2,-0.5 -1.000 9.4-151.4-142.9 140.6 43.1 15.8 4.7 26 69 A L E - H 0 46B 4 -12,-1.6 20,-0.2 -2,-0.4 609,-0.0 -0.946 15.3-132.2-119.4 119.8 42.5 18.3 7.3 27 70 A L - 0 0 1 18,-2.6 2,-0.2 -2,-0.5 -14,-0.2 0.152 29.3-100.2 -57.0 165.1 41.5 17.6 10.8 28 71 A Q - 0 0 47 -16,-0.6 17,-0.2 1,-0.1 -1,-0.1 -0.555 47.0 -78.0 -94.8 153.9 38.7 19.3 12.6 29 72 A R > - 0 0 17 1,-0.2 3,-2.6 -2,-0.2 4,-0.2 -0.299 36.8-137.9 -51.6 116.9 38.9 22.1 15.2 30 73 A F T 3 S+ 0 0 4 13,-0.4 7,-0.3 10,-0.3 3,-0.2 0.698 105.0 48.0 -46.8 -21.9 39.9 20.3 18.3 31 74 A N T 3 S+ 0 0 21 1,-0.2 -1,-0.3 10,-0.1 -2,-0.1 0.104 75.5 102.8-109.5 16.1 37.3 22.7 19.8 32 75 A E S < S+ 0 0 51 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.491 104.0 8.8 -77.7 -2.2 34.3 22.3 17.5 33 76 A D S S+ 0 0 19 -3,-0.2 -29,-1.5 1,-0.2 2,-0.3 0.383 122.0 58.4-152.8 -15.1 32.5 20.1 19.9 34 77 A T - 0 0 16 -4,-0.1 -1,-0.2 -31,-0.1 -26,-0.0 -0.771 55.0-156.4-119.2 168.1 34.3 20.0 23.1 35 78 A E S > S+ 0 0 119 -2,-0.3 3,-1.0 -3,-0.1 -1,-0.1 0.585 84.2 71.7-123.1 -16.3 35.1 22.8 25.4 36 79 A K T 3 S+ 0 0 18 1,-0.2 3,-0.4 2,-0.1 -5,-0.1 0.819 86.9 62.5 -64.9 -38.3 38.0 21.3 27.1 37 80 A L T > + 0 0 8 -7,-0.3 3,-2.2 1,-0.2 -1,-0.2 0.163 67.1 130.0 -78.1 18.4 40.5 21.4 24.2 38 81 A E G X + 0 0 46 -3,-1.0 3,-0.6 1,-0.3 -1,-0.2 0.552 63.4 57.2 -46.4 -25.9 40.2 25.2 24.3 39 82 A N G 3 S+ 0 0 42 -3,-0.4 -1,-0.3 819,-0.4 3,-0.2 0.318 95.2 67.5 -91.4 0.7 44.0 25.9 24.3 40 83 A L G X + 0 0 1 -3,-2.2 3,-1.4 1,-0.1 -10,-0.3 0.231 65.4 118.3-105.2 8.6 44.4 24.0 21.1 41 84 A R T < S+ 0 0 92 -3,-0.6 -1,-0.1 1,-0.3 -10,-0.1 0.672 71.6 46.0 -46.9 -38.4 42.4 26.6 19.0 42 85 A D T 3 S+ 0 0 52 -3,-0.2 80,-3.2 84,-0.1 2,-0.3 -0.009 96.7 83.6-100.5 18.6 45.2 27.6 16.6 43 86 A Y E < -I 121 0B 34 -3,-1.4 -13,-0.4 78,-0.2 2,-0.4 -0.918 49.3-176.6-122.6 148.2 46.6 24.2 15.5 44 87 A R E -I 120 0B 4 76,-0.7 76,-2.8 -2,-0.3 2,-0.5 -0.994 20.2-137.0-145.1 140.0 45.4 21.8 12.9 45 88 A V - 0 0 0 -2,-0.4 -18,-2.6 74,-0.2 2,-0.4 -0.859 21.1-168.0-100.0 125.1 46.6 18.4 12.0 46 89 A L E -H 26 0B 6 -2,-0.5 72,-3.3 72,-0.4 2,-0.6 -0.965 9.0-151.6-114.6 135.9 46.8 17.8 8.3 47 90 A E E -HJ 25 117B 15 -22,-3.3 -22,-2.0 -2,-0.4 2,-0.5 -0.950 16.5-174.0-111.4 117.4 47.4 14.3 6.9 48 91 A Y E +HJ 24 116B 2 68,-2.8 68,-2.8 -2,-0.6 2,-0.3 -0.950 4.8 177.3-118.5 131.7 49.1 14.2 3.6 49 92 A C E +HJ 23 115B 46 -26,-2.3 -26,-1.1 -2,-0.5 2,-0.4 -0.972 2.4 179.6-133.1 142.9 49.7 11.2 1.4 50 93 A S E -HJ 22 114B 1 64,-1.7 64,-1.2 -2,-0.3 -28,-0.3 -0.990 25.2-126.2-148.6 141.2 51.3 10.6 -2.0 51 94 A K - 0 0 85 -30,-3.5 56,-0.1 -2,-0.4 61,-0.1 -0.699 54.6 -75.3 -86.3 129.8 52.0 7.7 -4.4 52 95 A P S S+ 0 0 29 0, 0.0 57,-0.2 0, 0.0 -1,-0.2 0.354 116.3 31.2 -23.8 142.6 55.7 7.2 -5.6 53 96 A N S S+ 0 0 44 54,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.997 95.4 149.1 59.9 74.0 56.9 9.6 -8.3 54 97 A T E -N 107 0C 0 53,-1.9 53,-2.3 124,-0.2 2,-0.5 -0.968 40.1-153.1-145.7 160.3 54.7 12.7 -7.2 55 98 A L E -NO 106 177C 0 122,-2.7 122,-2.9 -2,-0.3 2,-1.0 -0.964 7.5-164.6-132.5 125.8 54.3 16.4 -7.0 56 99 A L E -NO 105 176C 0 49,-1.4 49,-0.8 -2,-0.5 120,-0.2 -0.839 45.0-120.2-103.2 90.3 52.4 18.5 -4.6 57 100 A L E - 0 0 1 118,-1.4 46,-0.1 -2,-1.0 47,-0.0 0.001 34.5 -83.5 -39.0 137.2 52.5 21.8 -6.7 58 101 A P E + 0 0 2 0, 0.0 76,-1.2 0, 0.0 77,-0.4 -0.041 62.3 150.9 -46.1 125.9 54.1 24.9 -5.2 59 102 A H E -NP 103 133C 3 44,-1.2 44,-1.9 74,-0.2 74,-0.2 -0.964 36.8-127.8-153.1 155.9 51.9 26.9 -3.0 60 103 A H E - P 0 132C 2 72,-1.5 72,-2.5 -2,-0.3 2,-0.4 -0.563 24.7-133.6-102.0 174.9 52.4 29.1 -0.1 61 104 A S E - P 0 131C 3 40,-0.2 39,-2.8 70,-0.2 70,-0.2 -0.980 12.2-136.4-136.0 148.4 50.6 28.8 3.3 62 105 A D S S+ 0 0 2 68,-2.3 -1,-0.2 -2,-0.4 69,-0.1 0.991 84.1 35.1 -51.3 -70.9 49.0 31.0 5.7 63 106 A S S S- 0 0 1 67,-0.3 2,-0.3 1,-0.1 37,-0.3 -0.063 93.1 -80.1 -86.8-179.1 50.4 29.6 8.9 64 107 A D E -K 121 0B 15 57,-2.6 57,-3.9 35,-0.1 2,-0.5 -0.696 46.7-150.9 -84.9 136.9 53.6 28.1 10.3 65 108 A L E -KL 120 97B 5 32,-2.5 32,-2.9 -2,-0.3 2,-0.6 -0.968 15.1-164.8-118.4 127.6 54.0 24.4 9.4 66 109 A L E -KL 119 96B 3 53,-2.8 53,-1.3 -2,-0.5 2,-0.5 -0.938 23.0-163.1-105.2 117.1 55.7 21.8 11.3 67 110 A V E -KL 118 95B 6 28,-2.8 28,-1.9 -2,-0.6 2,-0.3 -0.904 12.2-178.7-110.9 134.8 56.3 18.9 9.0 68 111 A L E -KL 117 94B 16 49,-2.0 49,-1.7 -2,-0.5 2,-0.7 -0.917 26.1-132.6-126.4 153.1 57.1 15.3 9.9 69 112 A V E +K 116 0B 2 24,-2.3 23,-3.2 -2,-0.3 47,-0.2 -0.904 27.9 169.2-101.1 97.2 57.8 12.2 7.7 70 113 A L E S+ 0 0 9 45,-1.2 46,-0.2 -2,-0.7 2,-0.2 0.213 77.0 5.2 -88.1 5.0 55.7 9.3 9.3 71 114 A E E S+K 115 0B 36 44,-0.7 44,-3.5 19,-0.1 2,-0.4 -0.496 111.2 7.4 169.8 112.7 56.3 7.1 6.4 72 115 A G - 0 0 25 42,-0.2 19,-0.5 -3,-0.2 2,-0.3 -0.826 69.0 -76.5 125.2-156.2 58.5 7.6 3.4 73 116 A Q E +Q 90 0C 70 40,-0.4 2,-0.3 -2,-0.4 17,-0.2 -0.966 43.0 167.3-154.8 146.1 61.0 9.8 1.8 74 117 A A E -Q 89 0C 0 15,-1.4 15,-2.4 -2,-0.3 2,-0.6 -0.988 33.6-114.4-158.1 171.5 60.6 13.1 0.1 75 118 A I E -QR 88 106C 41 31,-1.9 31,-1.7 -2,-0.3 2,-0.9 -0.936 21.9-160.2-117.4 117.8 62.2 16.1 -1.3 76 119 A L E -QR 87 105C 2 11,-3.0 11,-1.4 -2,-0.6 2,-0.6 -0.825 8.1-175.2 -93.6 109.9 61.5 19.4 0.3 77 120 A V E -QR 86 104C 5 27,-2.1 27,-1.9 -2,-0.9 2,-0.7 -0.924 9.6-159.4 -99.6 131.5 62.2 22.2 -2.1 78 121 A L E -QR 85 103C 12 7,-2.0 7,-1.4 -2,-0.6 2,-0.7 -0.947 8.8-145.5-116.6 106.1 61.8 25.5 -0.2 79 122 A V E -Q 84 0C 1 23,-2.1 5,-0.2 -2,-0.7 620,-0.1 -0.629 21.8-174.0 -74.4 103.4 61.3 28.4 -2.6 80 123 A N E > -Q 83 0C 51 3,-1.5 3,-0.6 -2,-0.7 618,-0.1 -0.301 42.2 -96.3 -89.4 174.4 62.9 31.4 -1.2 81 124 A P T 3 S+ 0 0 14 0, 0.0 606,-0.2 0, 0.0 3,-0.1 0.362 120.4 9.9 -77.8 1.8 62.7 35.0 -2.6 82 125 A D T 3 S+ 0 0 96 1,-0.2 2,-0.3 611,-0.1 613,-0.1 0.084 130.8 16.2-170.3 33.7 66.0 34.4 -4.4 83 126 A G E < -Q 80 0C 17 -3,-0.6 -3,-1.5 612,-0.1 2,-0.3 -0.966 65.7-113.2 176.0-175.2 67.0 30.9 -4.1 84 127 A R E -Q 79 0C 102 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.935 12.1-157.3-139.1 151.2 65.8 27.4 -3.4 85 128 A D E -Q 78 0C 42 -7,-1.4 -7,-2.0 -2,-0.3 2,-0.2 -0.929 17.1-167.2-133.6 99.5 66.8 25.3 -0.5 86 129 A T E -Q 77 0C 65 -2,-0.4 2,-0.3 -9,-0.3 -9,-0.2 -0.608 5.5-172.8 -84.6 154.3 66.2 21.7 -1.4 87 130 A Y E -Q 76 0C 18 -11,-1.4 -11,-3.0 -2,-0.2 2,-0.4 -0.940 25.0-135.5-149.5 131.1 66.3 19.0 1.2 88 131 A K E -Q 75 0C 86 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.2 -0.744 25.5-161.5 -85.0 130.8 66.2 15.3 1.2 89 132 A L E -Q 74 0C 2 -15,-2.4 -15,-1.4 -2,-0.4 3,-0.1 -0.916 4.7-167.7-117.6 94.6 63.8 14.3 4.1 90 133 A D E > -Q 73 0C 55 -2,-0.5 3,-1.0 -17,-0.2 -21,-0.2 -0.245 42.4 -74.2 -73.7 171.3 64.2 10.7 5.2 91 134 A Q T 3 S+ 0 0 93 -19,-0.5 -21,-0.2 1,-0.2 -1,-0.2 -0.449 117.9 34.0 -74.3 147.2 61.5 9.3 7.3 92 135 A G T 3 S+ 0 0 29 -23,-3.2 -1,-0.2 1,-0.4 -22,-0.1 0.044 94.6 122.9 99.7 -19.4 61.3 10.3 11.0 93 136 A D < - 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