==== 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 PLANT SEED STORAGE PROTEIN(VICILIN) 07-JUL-94 2PHL . COMPND 2 MOLECULE: PHASEOLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PHASEOLUS VULGARIS; . AUTHOR M.C.LAWRENCE,T.IZARD,M.BEUCHAT,R.J.BLAGROVE,P.M.COLMAN . 1081 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 809 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 403 37.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 105 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.0 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 4 0 3 1 10 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 1 3 19 10 9 3 6 12 2 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 . 1 1 0 0 5 7 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 11 A D 0 0 213 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.4 32.4 25.1 86.0 2 12 A N > - 0 0 28 1,-0.1 3,-0.8 3,-0.1 269,-0.0 -0.883 360.0-164.1-102.1 116.9 31.0 22.1 84.1 3 13 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 33,-0.1 0.667 86.5 60.7 -75.9 -12.0 32.9 21.6 80.8 4 14 A F T 3 S+ 0 0 4 277,-0.1 278,-2.0 28,-0.0 2,-0.4 0.357 86.6 90.2 -93.7 -0.1 30.1 19.3 79.5 5 15 A Y E < -A 281 0A 52 -3,-0.8 2,-0.6 276,-0.2 276,-0.2 -0.874 51.9-169.3-107.8 130.7 27.3 21.9 79.7 6 16 A F E -A 280 0A 0 274,-3.0 274,-2.1 -2,-0.4 2,-0.6 -0.890 15.3-150.2-120.3 94.6 26.5 24.2 76.8 7 17 A N > - 0 0 45 -2,-0.6 3,-3.3 272,-0.2 4,-0.4 -0.561 7.7-144.8 -68.8 110.3 24.0 26.9 77.9 8 18 A S G >> S+ 0 0 23 -2,-0.6 3,-1.2 1,-0.3 4,-1.0 0.839 95.0 70.0 -42.3 -44.7 21.9 27.9 75.0 9 19 A D G 34 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.659 122.4 11.8 -51.3 -21.1 21.8 31.6 76.1 10 20 A N G <4 S+ 0 0 113 -3,-3.3 -1,-0.3 3,-0.0 -2,-0.2 0.190 115.9 68.8-149.4 32.5 25.5 31.7 75.2 11 21 A S T <4 S+ 0 0 7 -3,-1.2 16,-2.1 -4,-0.4 2,-0.2 0.615 84.2 67.2-122.7 -21.0 26.5 28.7 73.1 12 22 A W E < -G 26 0B 22 -4,-1.0 2,-0.4 14,-0.2 14,-0.2 -0.690 61.9-154.4 -99.2 158.1 24.7 29.0 69.7 13 23 A N E -G 25 0B 129 12,-1.6 12,-2.6 -2,-0.2 2,-0.4 -0.999 20.4-118.1-135.0 136.1 25.4 31.7 67.0 14 24 A T E +G 24 0B 71 -2,-0.4 10,-0.3 10,-0.3 3,-0.1 -0.588 25.8 178.1 -75.9 124.1 22.9 32.9 64.4 15 25 A L E S- 0 0 34 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.908 75.7 -10.4 -83.6 -51.9 23.9 32.3 60.8 16 26 A F E +G 23 0B 21 7,-1.3 7,-2.5 976,-0.1 -1,-0.4 -0.989 65.3 174.0-147.4 147.5 20.7 33.8 59.4 17 27 A K E +G 22 0B 141 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.952 7.3 155.9-158.8 134.0 17.3 34.9 60.8 18 28 A N E > -G 21 0B 35 3,-3.2 3,-2.2 -2,-0.3 -2,-0.0 -0.950 61.5 -75.2-151.6 168.7 14.3 36.6 59.4 19 29 A Q T 3 S+ 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.529 129.8 45.9 -43.8 -7.9 10.6 36.9 60.1 20 30 A Y T 3 S- 0 0 55 1,-0.3 30,-2.3 162,-0.1 2,-0.3 0.576 122.6 -41.2-113.4 -16.8 10.1 33.4 58.7 21 31 A G E < -GH 18 49B 8 -3,-2.2 -3,-3.2 28,-0.2 2,-0.3 -0.990 47.5-123.1 177.2-171.2 12.9 31.4 60.4 22 32 A H E -GH 17 48B 28 26,-1.8 26,-1.9 -2,-0.3 2,-0.4 -0.990 1.2-157.3-159.5 160.2 16.5 31.0 61.6 23 33 A I E +GH 16 47B 6 -7,-2.5 -8,-3.6 -2,-0.3 -7,-1.3 -0.993 18.9 173.5-140.6 126.2 19.7 29.0 61.5 24 34 A R E -GH 14 46B 55 22,-2.0 22,-2.3 -2,-0.4 2,-0.4 -0.948 19.7-141.8-131.1 154.9 22.3 29.0 64.3 25 35 A V E -GH 13 45B 4 -12,-2.6 -12,-1.6 -2,-0.3 20,-0.2 -0.955 19.3-120.4-119.7 139.2 25.4 26.9 64.7 26 36 A L E -G 12 0B 0 18,-3.1 18,-0.3 -2,-0.4 -14,-0.2 -0.498 35.8-107.4 -74.3 144.4 26.7 25.5 68.0 27 37 A Q - 0 0 64 -16,-2.1 2,-0.2 -2,-0.2 17,-0.2 -0.141 49.4 -74.5 -62.8 168.9 30.2 26.5 69.0 28 38 A R >> - 0 0 24 1,-0.1 4,-1.3 15,-0.1 3,-0.5 -0.453 32.0-146.1 -71.4 135.1 33.1 24.1 68.8 29 39 A F H 3> S+ 0 0 0 13,-0.4 4,-1.7 10,-0.3 3,-0.5 0.933 97.6 52.3 -65.0 -48.6 33.3 21.4 71.5 30 40 A D H 34 S+ 0 0 32 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.646 105.8 58.1 -64.5 -16.5 37.1 21.3 71.7 31 41 A Q H <4 S+ 0 0 125 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.845 100.0 53.2 -83.2 -36.7 37.2 25.0 72.2 32 42 A Q H < S- 0 0 69 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.940 134.2 -14.4 -61.0 -40.4 35.0 25.0 75.3 33 43 A S >< - 0 0 18 -4,-1.7 3,-1.6 1,-0.1 -1,-0.3 -0.936 50.8-129.5-167.5 140.5 37.5 22.5 76.6 34 44 A K G > S+ 0 0 162 -2,-0.3 3,-1.5 1,-0.3 4,-0.1 0.697 104.8 72.2 -60.5 -23.0 40.3 20.2 75.6 35 45 A R G 3 S+ 0 0 67 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.873 95.0 56.4 -58.6 -35.2 38.6 17.3 77.4 36 46 A L G X S+ 0 0 9 -3,-1.6 3,-1.1 -7,-0.3 -1,-0.3 -0.052 73.1 122.0 -85.8 30.7 36.2 17.4 74.5 37 47 A Q G X + 0 0 53 -3,-1.5 3,-1.7 1,-0.3 -1,-0.2 0.788 60.3 64.1 -68.7 -32.2 38.9 17.0 71.9 38 48 A N G 3 S+ 0 0 59 454,-1.0 -1,-0.3 -3,-0.4 455,-0.1 0.267 99.5 58.2 -77.2 15.1 37.6 13.8 70.2 39 49 A L G X + 0 0 5 -3,-1.1 3,-2.6 2,-0.1 -10,-0.3 0.291 68.1 110.1-118.6 3.6 34.6 15.9 69.1 40 50 A E T < S+ 0 0 52 -3,-1.7 -2,-0.1 1,-0.3 -3,-0.1 0.781 77.5 55.4 -52.6 -25.1 36.7 18.5 67.2 41 51 A D T 3 S+ 0 0 87 -4,-0.2 2,-0.3 85,-0.1 -1,-0.3 0.391 96.9 73.3 -91.9 0.4 35.2 17.1 64.0 42 52 A Y < - 0 0 52 -3,-2.6 -13,-0.4 84,-0.2 2,-0.3 -0.870 52.6-178.3-117.4 157.6 31.5 17.4 64.7 43 53 A R E - I 0 125B 8 82,-1.9 82,-2.7 -2,-0.3 2,-0.4 -0.929 20.6-130.5-145.5 165.0 29.1 20.3 64.9 44 54 A L E - I 0 124B 0 -2,-0.3 -18,-3.1 -18,-0.3 2,-0.4 -0.987 17.8-170.3-123.6 125.6 25.4 21.0 65.6 45 55 A V E -HI 25 123B 4 78,-2.4 78,-2.1 -2,-0.4 2,-0.4 -0.925 4.5-166.1-115.1 140.5 23.2 23.0 63.3 46 56 A E E +HI 24 122B 5 -22,-2.3 -22,-2.0 -2,-0.4 2,-0.4 -0.983 8.1 176.6-130.3 136.9 19.7 24.2 64.3 47 57 A F E -HI 23 121B 8 74,-2.0 74,-2.5 -2,-0.4 2,-0.4 -0.999 8.0-172.0-145.8 136.8 17.0 25.6 62.1 48 58 A R E -HI 22 120B 65 -26,-1.9 -26,-1.8 -2,-0.4 2,-0.3 -1.000 7.9-170.6-133.0 137.1 13.3 26.6 62.7 49 59 A S E -HI 21 119B 4 70,-2.1 70,-2.8 -2,-0.4 -28,-0.2 -0.895 19.7-126.7-129.1 149.9 10.7 27.6 60.1 50 60 A K - 0 0 91 -30,-2.3 3,-0.3 -2,-0.3 62,-0.2 -0.432 55.3 -70.2 -84.0 165.2 7.2 29.2 60.0 51 61 A P S S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 67,-0.1 -0.205 112.6 15.1 -63.5 149.3 4.4 27.4 58.2 52 62 A E S S+ 0 0 43 60,-1.3 133,-2.1 62,-1.0 2,-0.3 0.935 93.1 131.8 55.7 62.1 4.5 27.3 54.4 53 63 A T E -LM 112 184C 1 59,-0.8 59,-1.6 -3,-0.3 2,-0.3 -0.796 43.5-145.7-132.9 170.4 8.1 28.4 53.7 54 64 A L E -LM 111 183C 1 129,-1.7 129,-3.2 -2,-0.3 2,-0.6 -0.987 11.7-140.2-140.6 139.8 11.1 27.2 51.7 55 65 A L E -LM 110 182C 8 55,-2.5 55,-1.2 -2,-0.3 127,-0.2 -0.937 38.9-117.0-100.0 118.9 14.8 27.4 52.5 56 66 A L E - 0 0 0 125,-2.6 52,-0.1 -2,-0.6 125,-0.1 -0.188 41.9 -75.9 -59.4 153.9 16.5 28.4 49.2 57 67 A P E + 0 0 0 0, 0.0 81,-2.5 0, 0.0 82,-0.7 -0.115 62.4 148.9 -55.1 138.3 19.0 26.0 47.5 58 68 A Q E -LN 108 137C 11 50,-1.3 50,-2.0 79,-0.2 2,-0.3 -0.943 33.3-143.5-156.9 170.4 22.5 25.6 48.8 59 69 A Q E - N 0 136C 0 77,-2.0 77,-3.4 -2,-0.3 2,-0.3 -0.962 18.7-157.6-139.3 144.3 25.2 23.0 49.2 60 70 A A E - N 0 135C 5 -2,-0.3 45,-2.6 46,-0.3 2,-0.6 -0.927 26.4-120.4-124.9 157.0 27.6 22.7 52.2 61 71 A D S S+ 0 0 0 73,-1.8 67,-3.1 -2,-0.3 68,-0.5 -0.171 85.8 77.9 -86.3 42.8 31.0 21.2 52.8 62 72 A A E S-J 127 0B 2 -2,-0.6 2,-0.4 65,-0.3 43,-0.2 -0.995 81.7-110.5-151.6 149.2 29.8 18.7 55.4 63 73 A E E -J 126 0B 48 63,-2.2 63,-2.0 -2,-0.3 2,-0.4 -0.681 41.7-155.1 -74.9 135.9 28.0 15.4 55.8 64 74 A L E -JK 125 102B 9 38,-2.5 38,-2.9 -2,-0.4 2,-0.5 -0.903 21.9-166.9-117.4 144.1 24.6 16.2 57.4 65 75 A L E -JK 124 101B 2 59,-1.8 59,-1.7 -2,-0.4 2,-0.4 -0.962 25.2-158.1-125.4 103.8 22.4 14.0 59.5 66 76 A L E -JK 123 100B 3 34,-2.4 34,-2.0 -2,-0.5 2,-0.4 -0.731 9.9-171.1 -91.0 133.7 19.0 15.9 59.6 67 77 A V E -JK 122 99B 2 55,-2.0 55,-2.6 -2,-0.4 2,-0.7 -0.951 20.6-141.7-133.6 119.4 16.4 15.3 62.3 68 78 A V E +J 121 0B 3 30,-2.3 53,-0.2 -2,-0.4 3,-0.1 -0.640 23.5 173.0 -76.0 109.9 12.8 16.6 62.6 69 79 A R E S+ 0 0 14 51,-1.9 2,-0.3 -2,-0.7 52,-0.2 0.568 73.2 5.5 -93.0 -14.2 12.4 17.4 66.3 70 80 A S E S+J 120 0B 32 50,-1.6 50,-2.5 -3,-0.1 -1,-0.4 -0.893 113.9 4.5-166.5 138.3 9.0 19.0 65.7 71 81 A G S S- 0 0 12 -2,-0.3 20,-1.4 48,-0.2 2,-0.3 -0.463 80.5 -69.8 89.6-158.7 6.8 19.3 62.6 72 82 A S E -O 90 0C 17 18,-0.2 2,-0.3 -2,-0.2 42,-0.3 -0.968 39.2-170.1-138.5 155.8 7.0 18.0 59.1 73 83 A A E -O 89 0C 0 16,-3.1 16,-2.9 -2,-0.3 2,-0.6 -0.979 21.6-140.9-149.6 153.3 9.3 18.7 56.2 74 84 A I E -OP 88 111C 0 37,-2.3 37,-2.3 -2,-0.3 2,-0.4 -0.993 27.8-170.4-115.9 114.6 9.7 18.0 52.5 75 85 A L E -OP 87 110C 0 12,-3.2 12,-2.9 -2,-0.6 2,-0.4 -0.929 2.7-171.2-108.0 133.3 13.4 17.5 51.7 76 86 A V E -OP 86 109C 0 33,-1.9 33,-1.6 -2,-0.4 2,-0.5 -0.993 10.6-154.9-133.9 129.5 14.7 17.3 48.1 77 87 A L E -OP 85 108C 2 8,-2.6 8,-2.0 -2,-0.4 2,-0.6 -0.922 8.0-155.9-100.9 131.8 18.1 16.3 46.9 78 88 A V E -OP 84 107C 1 29,-2.7 29,-0.7 -2,-0.5 6,-0.2 -0.918 9.6-168.4-112.8 102.9 19.3 17.6 43.4 79 89 A K E > -O 83 0C 30 4,-3.3 4,-1.5 -2,-0.6 3,-0.2 -0.664 28.2-118.4 -89.3 150.9 22.0 15.5 41.7 80 90 A P T 4 S+ 0 0 9 0, 0.0 2,-1.5 0, 0.0 971,-0.1 0.771 102.0 66.9 -60.3 -36.0 23.8 16.9 38.6 81 91 A D T 4 S- 0 0 82 965,-0.1 967,-0.1 1,-0.1 -2,-0.1 -0.352 129.1 -78.8 -89.2 57.1 22.8 14.2 36.1 82 92 A D T 4 S+ 0 0 70 -2,-1.5 2,-0.3 -3,-0.2 -1,-0.1 0.880 92.7 128.4 53.7 52.0 19.2 15.2 36.0 83 93 A R E < -O 79 0C 109 -4,-1.5 -4,-3.3 2,-0.0 2,-0.3 -0.994 31.8-179.9-139.4 143.6 18.1 13.5 39.3 84 94 A R E -O 78 0C 50 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.954 16.0-147.4-135.2 157.2 16.3 14.4 42.5 85 95 A E E -O 77 0C 70 -8,-2.0 -8,-2.6 -2,-0.3 2,-0.5 -0.999 14.4-155.1-129.3 123.0 15.4 12.6 45.7 86 96 A Y E +O 76 0C 23 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.898 13.8 179.1-104.6 129.4 12.1 13.5 47.5 87 97 A F E -O 75 0C 39 -12,-2.9 -12,-3.2 -2,-0.5 2,-0.5 -0.994 17.4-159.0-133.5 136.3 11.6 12.9 51.2 88 98 A F E -O 74 0C 22 109,-0.4 9,-0.4 -2,-0.4 2,-0.4 -0.956 20.6-173.3-111.7 119.2 8.7 13.6 53.5 89 99 A L E +O 73 0C 3 -16,-2.9 -16,-3.1 -2,-0.5 2,-0.3 -0.939 9.3 169.5-119.4 141.6 9.8 13.7 57.2 90 100 A T E -O 72 0C 14 7,-1.6 -18,-0.2 -2,-0.4 -22,-0.2 -0.937 32.7-133.5-141.8 160.3 7.6 14.1 60.3 91 101 A S S S+ 0 0 52 -20,-1.4 -1,-0.1 -2,-0.3 7,-0.1 0.893 92.7 17.8 -85.6 -40.2 8.2 13.7 64.0 92 102 A D S S+ 0 0 143 -21,-0.2 6,-0.1 5,-0.1 -1,-0.0 0.832 89.5 90.3-106.8 -39.8 5.3 11.6 65.2 93 103 A N > - 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