==== 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 SEED STORAGE PROTEIN 02-JUN-93 1CAW . COMPND 2 MOLECULE: CANAVALIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR T-P.KO,J.D.NG,J.DAY,A.GREENWOOD,A.MCPHERSON . 365 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 34.5 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 44 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 1 1 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 . 2 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 . 8 2 3 6 1 4 3 0 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 1 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 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 86 0, 0.0 2,-0.3 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0-161.3 18.1 5.8 21.1 2 45 A Q + 0 0 105 3,-0.0 2,-3.9 0, 0.0 31,-0.1 -0.848 360.0 21.4 179.7-142.6 14.4 6.0 21.8 3 46 A N S S+ 0 0 135 -2,-0.3 3,-0.1 29,-0.1 30,-0.1 0.123 92.0 115.5 -41.1 20.5 11.8 8.5 23.3 4 47 A N S S- 0 0 115 -2,-3.9 2,-0.0 1,-0.2 3,-0.0 0.113 73.3 -18.5 -77.9-165.2 14.2 11.6 22.7 5 48 A P - 0 0 79 0, 0.0 2,-2.3 0, 0.0 -1,-0.2 -0.129 57.0-138.4 -46.8 117.7 13.7 14.7 20.4 6 49 A Y + 0 0 66 27,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.439 53.9 140.7 -74.8 75.2 11.1 14.2 17.8 7 50 A L - 0 0 61 -2,-2.3 27,-0.2 2,-0.1 26,-0.1 -0.771 66.3-127.5-119.5 177.8 13.1 15.9 15.1 8 51 A F S S+ 0 0 3 -2,-0.3 281,-4.1 281,-0.1 2,-0.4 0.229 89.9 83.5-101.9 9.6 13.8 15.4 11.5 9 52 A R E +A 288 0A 76 279,-0.2 2,-0.3 277,-0.0 279,-0.2 -0.963 55.4 176.9-114.5 121.5 17.7 15.6 12.2 10 53 A S E +A 287 0A 25 277,-1.5 277,-1.5 -2,-0.4 3,-0.1 -0.858 16.2 170.7-122.2 157.5 19.7 12.5 13.3 11 54 A N + 0 0 88 -2,-0.3 2,-0.4 275,-0.2 -1,-0.1 0.132 51.7 86.1-151.3 21.8 23.4 11.9 14.1 12 55 A K - 0 0 131 16,-0.0 16,-0.6 2,-0.0 2,-0.1 -0.738 48.6-173.1-135.9 96.6 23.9 8.4 15.7 13 56 A F E -G 27 0B 23 -2,-0.4 2,-0.5 14,-0.2 14,-0.3 -0.441 26.5-120.7 -78.3 157.5 24.4 5.4 13.6 14 57 A L E -G 26 0B 90 12,-3.7 12,-3.6 -2,-0.1 2,-0.9 -0.846 18.1-137.5 -99.0 128.8 24.5 2.0 15.2 15 58 A T E +G 25 0B 45 -2,-0.5 10,-0.2 10,-0.3 3,-0.1 -0.805 26.3 173.7 -86.7 103.0 27.7 0.0 14.5 16 59 A L E S+ 0 0 96 8,-1.6 2,-0.4 -2,-0.9 -1,-0.2 0.986 71.8 17.1 -71.3 -61.8 26.6 -3.6 13.8 17 60 A F E S-G 24 0B 22 7,-0.7 7,-0.8 2,-0.0 2,-0.4 -0.917 78.2-175.2-112.7 136.7 30.0 -5.1 12.8 18 61 A K E +G 23 0B 140 -2,-0.4 2,-0.3 5,-0.1 5,-0.2 -0.981 18.7 130.3-146.9 130.7 33.2 -3.3 13.7 19 62 A N E > -G 22 0B 28 3,-1.1 2,-0.8 -2,-0.4 3,-0.5 -0.922 58.6 -95.0-155.3 174.5 36.9 -3.7 13.1 20 63 A Q T 3 S+ 0 0 159 -2,-0.3 3,-0.1 1,-0.2 153,-0.1 -0.930 111.1 59.8-109.6 102.3 39.8 -1.6 11.9 21 64 A H T 3 S- 0 0 61 -2,-0.8 30,-1.8 1,-0.1 2,-0.3 -0.132 122.9 -18.7 166.8 -18.3 40.0 -2.3 8.2 22 65 A G E < -GH 19 50B 12 -3,-0.5 -3,-1.1 28,-0.3 2,-0.3 -0.972 59.9-131.4 174.7 177.2 36.4 -1.0 7.7 23 66 A S E -GH 18 49B 25 26,-2.9 26,-0.9 -2,-0.3 2,-0.2 -0.955 3.3-162.1-147.6 164.3 33.0 -0.2 9.3 24 67 A L E -GH 17 48B 10 -7,-0.8 -8,-1.6 -2,-0.3 -7,-0.7 -0.754 19.9-179.9-153.3 95.5 29.2 -0.8 8.8 25 68 A R E -GH 15 47B 70 22,-1.5 22,-2.1 -10,-0.2 2,-0.5 -0.855 15.4-147.2-112.9 141.4 26.7 1.5 10.6 26 69 A L E -GH 14 46B 11 -12,-3.6 -12,-3.7 -2,-0.4 2,-0.4 -0.848 12.7-135.8-107.5 127.5 23.0 1.6 10.7 27 70 A L E -GH 13 45B 2 18,-2.2 18,-0.5 -2,-0.5 -14,-0.2 -0.629 39.0-101.6 -77.8 131.1 20.9 4.7 11.0 28 71 A Q - 0 0 29 -16,-0.6 2,-0.2 -2,-0.4 17,-0.1 -0.102 48.0 -87.0 -50.4 148.4 18.1 4.2 13.4 29 72 A R > - 0 0 45 1,-0.1 3,-2.1 15,-0.1 4,-0.3 -0.481 43.4-117.3 -66.3 124.6 14.7 3.5 11.9 30 73 A F T 3> S+ 0 0 11 13,-0.6 4,-0.5 10,-0.4 3,-0.3 0.656 104.7 47.3 -26.0 -54.3 13.0 6.9 11.2 31 74 A N T 34 S+ 0 0 34 6,-0.2 -1,-0.3 1,-0.2 7,-0.1 0.478 81.8 96.7 -80.6 -7.8 9.9 6.7 13.4 32 75 A E T <4 S+ 0 0 86 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.941 95.1 30.2 -46.5 -62.5 11.6 5.6 16.7 33 76 A D T 4 S+ 0 0 23 -4,-0.3 2,-0.2 -3,-0.3 -1,-0.2 0.949 122.9 41.3 -60.4 -60.6 11.9 8.9 18.2 34 77 A T < - 0 0 4 -4,-0.5 3,-0.3 -27,-0.2 -30,-0.0 -0.556 56.0-146.3-101.2 162.1 8.9 10.6 16.7 35 78 A E S S+ 0 0 171 -2,-0.2 3,-0.3 1,-0.2 -1,-0.1 0.270 98.7 76.8 -98.8 4.1 5.4 10.0 15.9 36 79 A K S S+ 0 0 41 1,-0.2 -1,-0.2 -6,-0.1 3,-0.1 0.350 88.0 49.4 -95.2 -8.4 6.2 12.4 12.9 37 80 A L + 0 0 5 -3,-0.3 -6,-0.2 -6,-0.1 -1,-0.2 -0.005 64.5 127.8-126.0 26.8 8.2 10.1 10.7 38 81 A E + 0 0 76 -3,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.468 64.3 68.0 -63.7 -6.7 5.8 7.0 10.5 39 82 A N S > S+ 0 0 90 1,-0.2 3,-0.7 2,-0.1 2,-0.7 0.959 104.3 37.7 -68.6 -75.9 5.9 7.0 6.7 40 83 A L T 3 S+ 0 0 0 1,-0.3 -10,-0.4 -10,-0.1 3,-0.4 0.150 80.8 117.6 -56.7 13.9 9.5 6.0 6.1 41 84 A R T 3 S+ 0 0 109 -2,-0.7 2,-0.4 -3,-0.4 -1,-0.3 0.659 73.7 56.7 -60.4 -17.1 9.2 3.7 9.1 42 85 A D S < S+ 0 0 47 -3,-0.7 80,-0.4 85,-0.1 -1,-0.3 -0.691 94.7 81.3-114.8 65.4 9.9 0.9 6.6 43 86 A Y - 0 0 40 -2,-0.4 -13,-0.6 -3,-0.4 2,-0.3 -0.773 56.0-166.3-172.8 126.8 13.2 2.3 5.3 44 87 A R E - I 0 120B 29 76,-0.7 76,-1.9 -2,-0.2 2,-0.5 -0.892 14.0-140.9-118.7 148.9 16.7 2.0 6.8 45 88 A V E -HI 27 119B 2 -18,-0.5 -18,-2.2 -2,-0.3 2,-0.4 -0.935 20.1-159.5-114.1 125.1 19.6 4.1 5.8 46 89 A L E -HI 26 118B 10 72,-4.1 72,-3.3 -2,-0.5 2,-0.4 -0.866 12.4-167.8-116.0 150.0 23.0 2.5 5.6 47 90 A E E -HI 25 117B 8 -22,-2.1 -22,-1.5 -2,-0.4 2,-0.4 -0.982 9.2-178.0-125.1 133.6 26.6 3.6 5.6 48 91 A Y E +HI 24 116B 1 68,-2.1 68,-2.0 -2,-0.4 2,-0.3 -0.869 2.7 175.4-144.9 117.3 29.6 1.5 4.8 49 92 A C E +HI 23 115B 30 -26,-0.9 -26,-2.9 -2,-0.4 2,-0.3 -0.742 5.0 160.9-116.5 159.8 33.3 2.3 4.8 50 93 A S E -HI 22 114B 0 64,-0.8 64,-1.0 -28,-0.3 -28,-0.3 -0.922 32.6-106.5-160.0 173.3 36.4 0.4 4.2 51 94 A K - 0 0 100 -30,-1.8 3,-0.2 -2,-0.3 56,-0.1 -0.850 51.5 -68.3-116.8 157.0 40.0 0.9 3.4 52 95 A P S S+ 0 0 30 0, 0.0 61,-0.1 0, 0.0 -1,-0.1 -0.136 113.9 30.2 -47.2 115.1 41.9 0.3 0.1 53 96 A N S S+ 0 0 49 54,-0.8 126,-1.0 1,-0.2 2,-0.3 0.727 89.4 140.5 99.5 43.7 42.3 -3.4 -0.9 54 97 A T E -M 178 0C 0 53,-0.3 53,-1.2 -3,-0.2 2,-0.5 -0.808 41.6-155.5-120.0 150.1 39.2 -4.9 0.6 55 98 A L E -MN 177 106C 46 122,-2.9 122,-2.0 -2,-0.3 2,-0.9 -0.974 18.1-140.9-122.9 118.9 36.5 -7.4 -0.2 56 99 A L E -M 176 0C 0 49,-2.8 49,-0.2 -2,-0.5 120,-0.2 -0.744 38.6-121.0 -81.0 111.4 33.1 -7.2 1.3 57 100 A L - 0 0 16 118,-1.8 2,-0.2 -2,-0.9 46,-0.1 -0.009 40.9 -74.3 -47.4 156.6 32.5 -10.9 2.0 58 101 A P + 0 0 41 0, 0.0 76,-2.7 0, 0.0 77,-0.3 -0.324 66.2 138.8 -73.0 132.7 29.5 -12.6 0.3 59 102 A H E -OP 103 133C 4 44,-1.5 44,-4.0 74,-0.2 2,-0.3 -0.986 36.5-135.8-157.2 162.1 26.0 -12.0 1.5 60 103 A H E -OP 102 132C 42 72,-1.0 72,-1.9 42,-0.3 2,-0.3 -0.944 16.4-136.6-124.7 147.0 22.5 -11.4 0.4 61 104 A S E - P 0 131C 3 40,-0.8 39,-4.9 -2,-0.3 70,-0.2 -0.768 8.8-149.8-101.2 149.1 19.9 -8.9 1.7 62 105 A D S S+ 0 0 21 68,-1.8 2,-0.2 -2,-0.3 69,-0.1 0.736 84.5 72.3 -79.9 -25.2 16.2 -9.7 2.4 63 106 A S S S- 0 0 1 67,-0.4 2,-0.4 36,-0.1 59,-0.2 -0.621 92.1-106.7 -95.3 149.8 15.7 -6.1 1.5 64 107 A D B -S 121 0D 26 57,-1.9 57,-4.0 -2,-0.2 34,-0.2 -0.630 45.2-152.8 -71.6 127.5 15.8 -4.0 -1.7 65 108 A L E -J 97 0B 7 32,-3.0 32,-0.9 -2,-0.4 2,-0.3 -0.508 19.9-160.1-101.6 167.5 19.0 -1.9 -1.6 66 109 A L E -J 96 0B 1 53,-0.5 53,-2.9 30,-0.2 2,-0.6 -0.967 18.3-156.1-137.9 119.9 20.1 1.5 -3.1 67 110 A V E +JK 95 118B 10 28,-3.7 28,-1.9 -2,-0.3 2,-0.4 -0.911 14.2 176.7-115.6 125.7 23.9 2.0 -3.3 68 111 A L E -JK 94 117B 8 49,-5.8 49,-4.9 -2,-0.6 2,-1.0 -0.979 25.8-138.5-120.0 128.6 25.6 5.4 -3.4 69 112 A V E - K 0 116B 3 24,-1.3 23,-1.2 -2,-0.4 3,-0.3 -0.707 17.2-176.7 -90.1 100.5 29.3 6.2 -3.4 70 113 A L E S- 0 0 7 45,-1.1 46,-0.2 -2,-1.0 -1,-0.1 0.216 80.5 -13.4 -80.3 15.4 29.7 9.2 -1.1 71 114 A E E S+ K 0 115B 41 44,-0.6 44,-2.8 41,-0.0 -1,-0.3 -0.125 105.9 53.8 148.5 110.2 33.4 9.1 -1.9 72 115 A G - 0 0 14 -3,-0.3 19,-0.8 42,-0.2 2,-0.5 -0.858 68.8 -75.5 148.1-179.4 35.5 6.3 -3.7 73 116 A Q B -T 90 0E 44 39,-0.3 17,-0.2 -2,-0.2 2,-0.2 -0.867 50.4-171.7-121.4 98.7 36.3 3.8 -6.6 74 117 A A - 0 0 1 15,-1.7 2,-0.3 -2,-0.5 15,-0.3 -0.576 28.5-165.3-107.6 170.5 34.1 0.7 -6.7 75 118 A I E -Q 106 0C 39 31,-0.8 31,-1.1 13,-0.4 2,-0.4 -0.970 21.8-165.8-136.1 106.0 33.7 -2.7 -8.3 76 119 A L E -QR 105 87C 3 11,-3.8 11,-1.8 -2,-0.3 2,-0.4 -0.802 8.2-174.4-106.2 145.1 30.3 -4.3 -7.8 77 120 A V E -QR 104 86C 5 27,-0.9 27,-1.5 -2,-0.4 2,-0.4 -0.966 4.4-171.6-136.9 118.2 29.3 -7.9 -8.4 78 121 A L E -QR 103 85C 26 7,-0.9 7,-2.5 -2,-0.4 2,-0.4 -0.920 19.5-149.0-104.5 139.5 25.8 -9.3 -8.2 79 122 A V E + R 0 84C 44 23,-2.1 5,-0.2 -2,-0.4 -2,-0.0 -0.971 22.9 158.1-126.8 131.8 25.6 -13.1 -8.5 80 123 A N - 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