==== 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 PLANT PROTEIN 25-NOV-99 1DGR . COMPND 2 MOLECULE: CANAVALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR T.-P.KO,A.MCPHERSON . 1039 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 389 37.4 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 . 13 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 92 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 3 3 6 0 3 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 . 0 9 15 12 7 6 10 7 0 0 0 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 3 9 0 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 46 A N 0 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.4 31.3 10.2 25.0 2 47 A N > - 0 0 28 1,-0.1 3,-1.0 3,-0.1 259,-0.0 -0.923 360.0-176.5-117.9 104.3 35.1 10.9 24.7 3 48 A P T 3 S+ 0 0 21 0, 0.0 28,-0.1 0, 0.0 -1,-0.1 0.669 82.0 60.3 -73.2 -17.2 35.9 14.5 23.7 4 49 A Y T 3 S+ 0 0 4 267,-0.0 268,-2.5 268,-0.0 2,-0.4 0.453 86.7 93.5 -89.7 -3.0 39.6 13.9 23.5 5 50 A L E < -A 271 0A 26 -3,-1.0 2,-0.4 266,-0.2 266,-0.2 -0.788 48.3-177.2 -98.7 132.9 39.3 11.2 20.8 6 51 A F E -A 270 0A 5 264,-2.8 264,-1.8 -2,-0.4 22,-0.0 -0.828 10.2-164.6-131.4 94.9 39.6 12.0 17.1 7 52 A R > - 0 0 87 -2,-0.4 3,-1.8 262,-0.2 262,-0.1 -0.206 38.7-100.1 -71.1 165.5 39.1 9.0 14.8 8 53 A S G > S+ 0 0 38 1,-0.3 3,-1.4 2,-0.1 -1,-0.1 0.801 119.0 68.1 -57.9 -30.0 40.2 9.0 11.1 9 54 A N G 3 S+ 0 0 129 1,-0.3 -1,-0.3 3,-0.0 260,-0.0 0.757 86.0 68.8 -62.6 -25.5 36.6 9.8 10.1 10 55 A K G < S+ 0 0 52 -3,-1.8 16,-1.6 2,-0.1 2,-0.6 0.238 77.4 104.1 -79.3 15.5 36.8 13.2 11.7 11 56 A F E < -G 25 0B 15 -3,-1.4 2,-0.3 14,-0.2 14,-0.2 -0.888 65.8-146.7-101.1 114.6 39.3 14.2 8.9 12 57 A L E -G 24 0B 95 12,-2.6 12,-3.1 -2,-0.6 2,-0.7 -0.641 21.5-125.8 -77.3 133.0 37.7 16.5 6.3 13 58 A T E -G 23 0B 77 -2,-0.3 10,-0.2 10,-0.2 3,-0.2 -0.731 25.6-175.2 -87.4 118.6 39.2 15.6 2.9 14 59 A L E S- 0 0 45 8,-2.0 2,-0.2 -2,-0.7 9,-0.2 0.792 73.4 -4.1 -79.4 -30.0 40.6 18.8 1.3 15 60 A F E -G 22 0B 25 7,-1.5 7,-1.6 2,-0.0 2,-0.3 -0.681 60.2-171.2-170.5 111.1 41.6 17.0 -1.9 16 61 A K E +G 21 0B 149 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.741 16.2 160.3-102.9 155.9 41.6 13.4 -3.2 17 62 A N - 0 0 38 3,-1.2 3,-0.4 -2,-0.3 158,-0.0 -0.940 54.4-102.4-163.1 163.1 43.2 12.3 -6.4 18 63 A Q S S+ 0 0 154 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.577 121.7 50.8 -75.9 -3.6 44.3 8.9 -7.7 19 64 A H S S- 0 0 28 1,-0.3 30,-3.2 155,-0.2 2,-0.3 0.640 125.0 -43.6-103.4 -20.5 47.9 9.9 -6.9 20 65 A G E - H 0 48B 6 -3,-0.4 -3,-1.2 28,-0.3 2,-0.3 -0.982 52.0-118.9 175.9-172.5 47.4 11.1 -3.3 21 66 A S E -GH 16 47B 26 26,-3.1 26,-2.8 -2,-0.3 2,-0.4 -0.997 1.0-150.3-155.9 155.1 45.3 13.0 -0.8 22 67 A L E -GH 15 46B 3 -7,-1.6 -8,-2.0 -2,-0.3 -7,-1.5 -0.990 22.4-175.5-128.6 120.2 45.4 15.9 1.6 23 68 A R E -GH 13 45B 58 22,-2.7 22,-2.2 -2,-0.4 2,-0.4 -0.903 12.3-154.4-121.9 150.1 43.2 15.8 4.7 24 69 A L E -GH 12 44B 16 -12,-3.1 -12,-2.6 -2,-0.3 20,-0.2 -0.980 16.3-133.0-124.5 128.8 42.4 18.3 7.5 25 70 A L E -G 11 0B 0 18,-2.8 18,-0.3 -2,-0.4 -14,-0.2 -0.508 33.4-102.3 -79.0 145.4 41.3 17.5 11.0 26 71 A Q - 0 0 25 -16,-1.6 17,-0.2 -2,-0.2 -1,-0.1 -0.160 54.6 -75.4 -60.4 161.2 38.4 19.4 12.5 27 72 A R > - 0 0 84 1,-0.1 3,-1.6 2,-0.1 4,-0.4 -0.301 38.6-128.5 -57.4 141.1 39.1 22.1 15.0 28 73 A F T 3 S+ 0 0 2 13,-0.5 3,-0.2 10,-0.4 -1,-0.1 0.828 111.1 46.7 -62.0 -30.8 40.1 20.6 18.4 29 74 A N T 3 S+ 0 0 37 1,-0.2 -1,-0.3 9,-0.1 -2,-0.1 0.064 83.4 105.1 -99.5 23.7 37.5 22.9 20.0 30 75 A E S < S+ 0 0 108 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.981 94.8 17.1 -66.4 -60.1 34.8 22.1 17.5 31 76 A D S S+ 0 0 111 -4,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.256 128.6 46.2 -98.6 9.9 32.6 19.7 19.6 32 77 A T > - 0 0 13 -4,-0.1 3,-0.5 1,-0.1 -1,-0.1 -0.985 52.9-153.5-157.5 145.6 34.0 20.7 23.0 33 78 A E G > S+ 0 0 99 -2,-0.3 3,-0.7 1,-0.2 -4,-0.1 0.334 87.2 86.3 -93.3 4.9 35.0 23.7 25.2 34 79 A K G 3 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.507 88.4 48.0 -82.5 -6.0 37.5 21.4 27.0 35 80 A L G X + 0 0 1 -3,-0.5 3,-1.7 1,-0.1 -1,-0.2 -0.137 62.2 129.8-127.9 40.1 40.2 22.1 24.4 36 81 A E G X + 0 0 74 -3,-0.7 3,-1.2 1,-0.3 4,-0.2 0.729 69.5 67.1 -65.1 -22.1 40.3 25.9 24.0 37 82 A N G 3 S+ 0 0 38 784,-0.5 -1,-0.3 1,-0.2 3,-0.1 0.533 100.7 49.7 -76.8 -4.0 44.0 25.8 24.6 38 83 A L G X S+ 0 0 0 -3,-1.7 3,-1.7 1,-0.1 -10,-0.4 0.259 75.8 108.2-113.9 9.6 44.4 24.0 21.2 39 84 A R T < S+ 0 0 106 -3,-1.2 -2,-0.1 1,-0.3 -1,-0.1 0.727 72.7 58.5 -63.8 -21.8 42.3 26.3 19.1 40 85 A D T 3 S+ 0 0 61 -4,-0.2 80,-2.4 84,-0.2 2,-0.4 0.466 96.0 80.1 -86.2 -0.5 45.2 27.8 17.2 41 86 A Y E < - I 0 119B 37 -3,-1.7 -13,-0.5 78,-0.2 2,-0.3 -0.849 51.6-177.3-113.8 144.6 46.4 24.4 15.9 42 87 A R E - I 0 118B 12 76,-1.5 76,-2.7 -2,-0.4 2,-0.4 -0.961 17.4-141.8-131.7 149.0 45.2 22.3 13.0 43 88 A V E - I 0 117B 3 -2,-0.3 -18,-2.8 -18,-0.3 2,-0.3 -0.935 18.9-175.9-113.3 135.1 46.4 18.9 12.0 44 89 A L E -HI 24 116B 3 72,-2.5 72,-3.5 -2,-0.4 2,-0.4 -0.953 9.9-156.5-128.3 151.9 46.8 17.9 8.4 45 90 A E E -HI 23 115B 15 -22,-2.2 -22,-2.7 -2,-0.3 2,-0.4 -0.989 6.5-164.1-129.1 136.7 47.8 14.6 6.8 46 91 A Y E +HI 22 114B 1 68,-3.0 68,-2.8 -2,-0.4 2,-0.4 -0.986 7.5 179.3-126.2 130.7 49.3 14.2 3.4 47 92 A C E +HI 21 113B 39 -26,-2.8 -26,-3.1 -2,-0.4 2,-0.3 -0.993 5.9 168.9-132.6 128.6 49.6 11.0 1.4 48 93 A S E -HI 20 112B 0 64,-1.9 64,-2.5 -2,-0.4 -28,-0.3 -0.984 26.9-124.0-139.4 151.3 51.0 10.5 -2.1 49 94 A K - 0 0 102 -30,-3.2 3,-0.4 -2,-0.3 56,-0.2 -0.302 54.4 -58.9 -84.6 171.6 52.0 7.6 -4.3 50 95 A P S S+ 0 0 33 0, 0.0 58,-0.2 0, 0.0 -1,-0.2 -0.111 118.2 12.7 -52.8 146.0 55.5 7.0 -5.9 51 96 A N S S+ 0 0 58 56,-1.4 126,-1.5 54,-1.3 2,-0.3 0.930 93.3 143.2 52.2 55.3 56.9 9.7 -8.3 52 97 A T E -MN 105 176C 0 53,-0.7 53,-2.2 -3,-0.4 2,-0.4 -0.873 36.5-153.7-123.4 157.7 54.3 12.4 -7.4 53 98 A L E -MN 104 175C 1 122,-3.1 122,-2.6 -2,-0.3 2,-0.7 -0.997 9.1-149.2-134.0 130.4 54.6 16.1 -6.9 54 99 A L E -MN 103 174C 0 49,-2.6 49,-0.8 -2,-0.4 120,-0.2 -0.895 40.8-112.8 -96.1 119.0 52.5 18.5 -4.8 55 100 A L E - 0 0 0 118,-2.9 46,-0.2 -2,-0.7 48,-0.1 -0.090 38.0 -83.8 -55.8 148.2 52.4 21.8 -6.7 56 101 A P E + 0 0 1 0, 0.0 76,-1.4 0, 0.0 77,-0.4 -0.249 65.3 144.7 -54.0 131.9 54.2 24.9 -5.3 57 102 A H E -MO 101 131C 3 44,-1.6 44,-2.2 74,-0.2 2,-0.4 -0.969 38.7-130.6-162.8 157.9 52.0 26.9 -2.9 58 103 A H E - O 0 130C 1 72,-1.4 72,-2.7 -2,-0.3 2,-0.3 -0.918 16.1-142.0-119.5 146.7 52.5 28.9 0.3 59 104 A S E - O 0 129C 3 40,-0.5 39,-2.9 -2,-0.4 70,-0.2 -0.716 13.7-137.1-102.3 156.6 50.5 28.6 3.5 60 105 A D S S+ 0 0 0 68,-1.9 62,-0.3 -2,-0.3 61,-0.3 0.470 86.6 65.5 -89.9 0.9 49.4 31.5 5.7 61 106 A S S S- 0 0 1 67,-0.4 2,-0.3 59,-0.1 37,-0.2 -0.771 91.6-100.6-120.8 162.5 50.5 29.4 8.7 62 107 A D E -J 119 0B 11 57,-2.1 57,-3.1 -2,-0.3 2,-0.4 -0.662 41.8-153.9 -79.7 134.7 53.7 28.0 10.2 63 108 A L E -JK 118 95B 4 32,-2.8 32,-3.2 -2,-0.3 2,-0.7 -0.922 17.4-159.7-117.0 138.1 54.0 24.3 9.4 64 109 A L E -JK 117 94B 4 53,-2.5 53,-2.4 -2,-0.4 2,-0.4 -0.931 23.9-158.4-112.2 100.8 55.8 21.6 11.3 65 110 A V E -JK 116 93B 2 28,-2.6 28,-2.0 -2,-0.7 2,-0.4 -0.686 12.0-176.6 -86.0 133.2 56.3 18.9 8.7 66 111 A L E -JK 115 92B 4 49,-2.4 49,-3.1 -2,-0.4 2,-0.8 -0.961 22.2-138.3-136.2 116.6 56.9 15.4 9.9 67 112 A V E +J 114 0B 0 24,-2.2 23,-3.1 -2,-0.4 47,-0.2 -0.615 23.6 175.3 -74.9 105.6 57.6 12.4 7.6 68 113 A L E + 0 0 3 45,-2.0 2,-0.3 -2,-0.8 46,-0.2 0.849 67.7 1.5 -80.0 -37.1 55.6 9.4 9.0 69 114 A E E S+J 113 0B 64 44,-1.9 44,-2.4 20,-0.1 -1,-0.3 -0.993 108.9 11.5-152.0 145.9 56.4 6.9 6.3 70 115 A G S S- 0 0 6 -2,-0.3 19,-0.4 42,-0.2 2,-0.3 -0.443 81.2 -71.3 90.6-162.7 58.5 6.9 3.1 71 116 A Q - 0 0 62 39,-0.2 2,-0.3 17,-0.2 36,-0.2 -0.911 46.0-171.8-133.4 157.8 61.1 9.4 1.8 72 117 A A E -P 87 0C 0 15,-2.4 15,-3.4 -2,-0.3 2,-0.5 -1.000 24.6-136.9-156.9 155.3 60.6 12.8 0.4 73 118 A I E -PQ 86 104C 36 31,-2.7 31,-2.6 -2,-0.3 2,-0.5 -0.964 24.3-168.6-112.7 120.6 62.2 15.8 -1.4 74 119 A L E -PQ 85 103C 0 11,-3.1 11,-3.2 -2,-0.5 2,-0.5 -0.953 3.1-169.2-114.1 130.2 61.2 19.2 0.0 75 120 A V E -PQ 84 102C 5 27,-1.9 27,-1.6 -2,-0.5 2,-0.6 -0.972 3.9-163.0-121.4 117.3 62.0 22.4 -1.8 76 121 A L E -PQ 83 101C 17 7,-2.8 7,-2.7 -2,-0.5 2,-0.4 -0.886 13.7-145.6-101.1 122.4 61.6 25.7 -0.0 77 122 A V E -P 82 0C 2 23,-2.9 5,-0.2 -2,-0.6 584,-0.1 -0.749 15.8-173.9 -93.5 131.6 61.5 28.7 -2.4 78 123 A N - 0 0 41 3,-3.0 582,-0.1 -2,-0.4 586,-0.0 -0.827 38.5-117.2-116.7 157.5 63.0 32.1 -1.3 79 124 A P S S+ 0 0 8 0, 0.0 580,-0.4 0, 0.0 581,-0.4 0.736 119.9 47.4 -66.4 -14.3 62.8 35.3 -3.2 80 125 A D S S- 0 0 149 579,-0.2 2,-0.2 1,-0.2 580,-0.1 0.787 131.8 -58.8 -93.1 -37.3 66.6 35.0 -3.3 81 126 A G - 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0 0 33 1,-0.1 4,-3.5 -5,-0.0 5,-0.3 -0.623 34.7-106.4 -98.7 160.8 45.5 80.4 37.5 1027 403 M G H > S+ 0 0 2 -2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.905 121.0 44.0 -48.3 -51.9 48.9 78.9 37.3 1028 404 M E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.957 115.3 48.4 -60.4 -52.1 50.0 80.4 40.6 1029 405 M E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.959 112.8 47.2 -52.3 -57.7 46.8 79.6 42.3 1030 406 M V H X S+ 0 0 1 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.924 111.4 53.8 -50.5 -46.9 46.9 76.0 41.1 1031 407 M E H < S+ 0 0 83 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.901 109.0 46.6 -56.4 -45.6 50.5 75.8 42.2 1032 408 M E H >X S+ 0 0 142 -4,-2.6 3,-2.8 1,-0.2 4,-0.9 0.947 107.1 57.2 -63.2 -48.2 49.8 76.9 45.7 1033 409 M L H >X S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.3 4,-0.5 0.836 105.7 51.3 -51.5 -36.2 46.9 74.6 46.1 1034 410 M L H 3< S+ 0 0 9 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.486 105.5 59.0 -81.5 -1.6 49.2 71.7 45.3 1035 411 M E H <4 S+ 0 0 64 -3,-2.8 -1,-0.2 -4,-0.2 -2,-0.2 0.603 84.8 77.4-101.0 -14.0 51.6 72.9 48.0 1036 412 M N H << S+ 0 0 59 -4,-0.9 2,-0.5 -3,-0.6 -532,-0.1 0.951 77.7 74.3 -61.8 -52.9 49.3 72.8 51.0 1037 413 M Q < - 0 0 16 -534,-0.6 -533,-0.1 -4,-0.5 -534,-0.0 -0.503 58.9-179.4 -65.4 113.0 49.5 69.0 51.5 1038 414 M K + 0 0 146 -2,-0.5 -1,-0.2 -33,-0.1 -32,-0.1 0.743 57.1 77.3 -86.9 -25.0 53.0 68.6 53.1 1039 415 M E - 0 0 68 -33,-0.1 -33,-2.3 -34,-0.1 2,-0.3 -0.071 69.9-139.5 -75.9-179.7 52.7 64.8 53.4 1040 416 M S - 0 0 10 2,-0.5 2,-2.5 -35,-0.3 -35,-0.1 -0.997 64.3 -15.1-144.7 143.8 53.1 62.2 50.6 1041 417 M Y S S+ 0 0 15 -37,-0.3 -113,-2.4 -2,-0.3 2,-0.4 -0.356 127.1 41.6 67.0 -74.3 51.2 58.9 49.8 1042 418 M F E S+L 927 0L 0 -2,-2.5 -2,-0.5 -115,-0.2 2,-0.3 -0.893 72.8 168.6-108.3 137.2 49.4 58.5 53.1 1043 419 M V E -L 926 0L 0 -117,-2.3 -117,-2.9 -2,-0.4 2,-0.7 -0.838 45.7 -75.3-138.7 174.8 47.8 61.5 54.9 1044 420 M D E -L 925 0L 67 -2,-0.3 -119,-0.2 -119,-0.2 -120,-0.1 -0.645 37.8-164.2 -75.4 113.5 45.5 62.3 57.8 1045 421 M G + 0 0 4 -121,-2.3 -1,-0.1 -2,-0.7 -544,-0.1 0.107 38.7 137.5 -87.8 24.5 42.0 61.5 56.5 1046 422 M Q 0 0 98 1,-0.1 -2,-0.0 -545,-0.1 -120,-0.0 -0.507 360.0 360.0 -74.7 137.3 40.2 63.4 59.2 1047 423 M P 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -547,-0.0 0.759 360.0 360.0 -60.9 360.0 37.2 65.6 58.1