==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIFUNGAL PROTEIN 04-SEP-04 1XD5 . COMPND 2 MOLECULE: ANTIFUNGAL PROTEIN GAFP-1; . SOURCE 2 ORGANISM_SCIENTIFIC: GASTRODIA ELATA; . AUTHOR W.LIU,N.YANG,M.WANG,R.H.HUANG,Z.HU,D.C.WANG . 445 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 72.6 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 . 187 42.0 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 . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 75 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 0 0.0 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 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 . 0 0 12 17 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 12 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 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 S 0 0 107 0, 0.0 16,-2.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 166.4 20.6 -1.0 16.0 2 2 A D + 0 0 21 14,-0.3 85,-2.8 84,-0.0 2,-0.3 0.391 360.0 48.0 -98.2 -0.2 19.4 1.8 18.3 3 3 A R E -A 86 0A 80 83,-0.2 2,-0.4 12,-0.1 83,-0.2 -0.977 57.8-154.0-145.3 154.6 21.7 4.4 16.9 4 4 A L E -A 85 0A 10 81,-2.6 81,-3.0 -2,-0.3 2,-0.2 -0.992 22.2-144.8-128.4 121.0 23.1 5.9 13.7 5 5 A N E > -A 84 0A 84 -2,-0.4 3,-1.4 79,-0.2 51,-0.3 -0.522 31.2 -90.8 -85.4 153.0 26.6 7.5 13.7 6 6 A S T 3 S+ 0 0 12 77,-2.8 51,-0.3 1,-0.3 -1,-0.1 -0.304 114.4 36.5 -61.0 144.7 27.5 10.6 11.6 7 7 A G T 3 S+ 0 0 52 49,-2.6 2,-0.3 1,-0.4 -1,-0.3 0.412 106.6 93.1 87.6 0.5 28.9 9.7 8.2 8 8 A H E < -D 56 0B 119 -3,-1.4 48,-2.2 48,-0.8 -1,-0.4 -0.812 56.8-158.7-123.2 164.2 26.5 6.8 8.0 9 9 A Q E -D 55 0B 82 -2,-0.3 2,-0.5 46,-0.2 46,-0.2 -0.940 20.3-123.6-139.4 156.4 23.0 6.4 6.6 10 10 A L E -D 54 0B 23 44,-2.8 44,-2.3 -2,-0.3 3,-0.1 -0.920 33.0-137.4 -96.2 130.8 19.9 4.2 6.9 11 11 A D > - 0 0 106 -2,-0.5 3,-2.7 42,-0.2 14,-0.3 -0.267 49.3 -56.6 -74.5 171.9 19.0 2.7 3.5 12 12 A T T 3 S+ 0 0 55 1,-0.3 -1,-0.2 39,-0.2 14,-0.2 -0.279 131.2 11.6 -54.5 128.9 15.4 2.6 2.4 13 13 A G T 3 S+ 0 0 40 12,-2.7 -1,-0.3 1,-0.3 13,-0.1 0.356 98.6 137.5 81.6 -5.4 13.2 0.8 5.0 14 14 A G < + 0 0 22 -3,-2.7 11,-2.0 11,-0.2 -1,-0.3 -0.317 30.6 178.7 -69.3 157.1 16.2 0.9 7.4 15 15 A S E -G 24 0C 40 9,-0.2 2,-0.4 -3,-0.1 9,-0.2 -0.974 36.6-121.2-155.5 161.4 15.5 1.8 11.0 16 16 A L E -G 23 0C 2 7,-2.6 7,-2.9 -2,-0.3 2,-0.4 -0.902 38.2-168.6-100.6 143.0 16.5 2.3 14.5 17 17 A A E +G 22 0C 44 -16,-2.2 2,-0.3 -2,-0.4 5,-0.2 -0.994 22.5 170.3-137.5 143.1 14.8 0.0 17.0 18 18 A E E > -G 21 0C 35 3,-2.2 3,-2.6 -2,-0.4 2,-0.1 -0.819 68.8 -59.0-150.4 105.2 14.5 -0.2 20.8 19 19 A G T 3 S- 0 0 74 -2,-0.3 -1,-0.2 1,-0.3 70,-0.0 -0.374 124.4 -9.6 57.1-123.0 12.0 -2.7 22.1 20 20 A G T 3 S+ 0 0 34 -2,-0.1 16,-2.8 -3,-0.1 2,-0.4 0.338 116.4 101.0 -86.2 4.2 8.6 -1.7 20.7 21 21 A Y E < -GH 18 35C 43 -3,-2.6 -3,-2.2 14,-0.2 2,-0.4 -0.790 48.5-177.3 -95.9 135.6 9.9 1.6 19.3 22 22 A L E -GH 17 34C 57 12,-2.2 12,-3.4 -2,-0.4 2,-0.6 -0.988 13.2-171.6-136.2 122.4 10.7 1.9 15.6 23 23 A F E +GH 16 33C 0 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.4 -0.952 27.6 173.9-116.3 108.9 12.2 4.9 13.9 24 24 A I E -GH 15 32C 29 8,-2.6 8,-2.4 -2,-0.6 2,-0.8 -0.924 38.6-142.7-130.5 135.6 12.1 4.2 10.2 25 25 A I E - H 0 31C 0 -11,-2.0 -12,-2.7 -2,-0.4 6,-0.2 -0.874 40.1-148.7 -92.0 113.4 12.8 5.9 6.9 26 26 A Q > - 0 0 28 4,-2.7 3,-2.0 -2,-0.8 26,-0.5 -0.372 24.5-114.2 -88.3 161.4 10.0 4.5 4.7 27 27 A N T 3 S+ 0 0 107 1,-0.3 24,-1.1 24,-0.1 25,-0.2 0.722 119.0 60.1 -59.8 -24.5 9.9 3.7 1.0 28 28 A D T 3 S- 0 0 21 22,-0.2 19,-2.4 2,-0.2 20,-0.5 0.378 120.0-113.0 -84.3 5.7 7.2 6.5 0.7 29 29 A a S < S+ 0 0 0 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.499 73.7 135.2 73.2 9.0 9.9 8.9 2.1 30 30 A N - 0 0 9 14,-0.1 -4,-2.7 13,-0.1 2,-0.6 -0.721 49.2-145.4 -82.6 135.0 8.1 9.5 5.4 31 31 A L E -H 25 0C 0 -2,-0.4 12,-2.1 -6,-0.2 2,-0.4 -0.924 31.9-178.8 -99.9 118.2 10.4 9.4 8.4 32 32 A V E -HI 24 42C 2 -8,-2.4 -8,-2.6 -2,-0.6 2,-0.6 -0.959 31.4-150.2-132.0 137.2 8.2 7.9 11.2 33 33 A L E -HI 23 41C 0 8,-2.8 7,-3.0 -2,-0.4 8,-1.0 -0.918 22.4-164.7 -97.9 119.5 8.4 7.0 14.8 34 34 A Y E -HI 22 39C 43 -12,-3.4 -12,-2.2 -2,-0.6 2,-0.7 -0.898 12.5-159.3-104.5 136.7 6.2 4.0 15.7 35 35 A D E > S-HI 21 38C 26 3,-3.1 3,-1.4 -2,-0.4 -14,-0.2 -0.927 85.9 -30.8-111.3 101.8 5.2 3.1 19.2 36 36 A N T 3 S- 0 0 105 -16,-2.8 -1,-0.2 -2,-0.7 -15,-0.1 0.944 128.8 -43.5 45.9 56.3 4.2 -0.6 19.0 37 37 A N T 3 S+ 0 0 154 -17,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.379 116.3 114.2 74.0 1.8 2.9 -0.0 15.5 38 38 A R E < -I 35 0C 83 -3,-1.4 -3,-3.1 2,-0.0 2,-0.3 -0.906 68.9-125.0-105.2 124.3 1.2 3.3 16.2 39 39 A A E +I 34 0C 19 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.509 37.8 163.7 -67.4 122.6 2.7 6.4 14.4 40 40 A V E + 0 0 9 -7,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.512 65.5 17.3-116.2 -9.8 3.5 9.0 17.1 41 41 A W E +I 33 0C 54 -8,-1.0 -8,-2.8 67,-0.0 -1,-0.4 -0.953 62.9 172.8-161.5 139.4 5.8 11.3 15.0 42 42 A A E -I 32 0C 48 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.993 39.1-133.1-151.2 151.3 6.6 11.9 11.4 43 43 A S - 0 0 20 -12,-2.1 -11,-0.1 -2,-0.3 -1,-0.1 0.719 45.7-132.3 -70.3 -22.5 8.5 14.2 9.1 44 44 A G + 0 0 47 -13,-0.3 -14,-0.1 1,-0.1 -12,-0.1 0.811 68.6 125.7 74.5 33.3 5.3 14.4 7.0 45 45 A T > + 0 0 8 -16,-0.1 3,-1.8 -14,-0.1 4,-0.4 0.107 24.6 142.7-112.6 18.6 7.3 13.8 3.7 46 46 A N T 3 S+ 0 0 35 1,-0.2 -17,-0.2 2,-0.1 4,-0.1 -0.392 74.0 15.7 -54.9 132.4 5.3 10.8 2.4 47 47 A G T 3 S+ 0 0 66 -19,-2.4 -1,-0.2 2,-0.5 -18,-0.1 0.379 88.7 112.5 84.3 -3.0 5.0 11.1 -1.3 48 48 A K S < S- 0 0 144 -3,-1.8 2,-0.3 -20,-0.5 -2,-0.1 0.793 98.4 -41.1 -69.4 -28.7 7.7 13.7 -1.8 49 49 A A - 0 0 21 -21,-0.4 -2,-0.5 -4,-0.4 2,-0.3 -0.904 66.2-111.5-172.8-171.4 9.7 11.0 -3.6 50 50 A S S S+ 0 0 77 -2,-0.3 -22,-0.2 1,-0.1 -23,-0.1 -0.894 82.8 40.8-135.8 167.5 10.5 7.3 -3.2 51 51 A G S S+ 0 0 28 -24,-1.1 16,-0.5 -2,-0.3 -39,-0.2 0.873 77.9 177.9 65.5 38.5 13.5 5.2 -2.2 52 52 A a E - E 0 66B 0 -26,-0.5 2,-0.3 -25,-0.2 14,-0.2 -0.336 17.6-158.8 -76.3 155.4 14.6 7.6 0.4 53 53 A V E - E 0 65B 22 12,-2.9 12,-2.2 -41,-0.1 2,-0.5 -0.880 13.9-131.9-126.8 160.0 17.6 7.3 2.7 54 54 A L E -DE 10 64B 0 -44,-2.3 -44,-2.8 -2,-0.3 2,-0.5 -0.970 21.6-164.8-118.5 119.8 18.4 8.9 6.0 55 55 A K E -DE 9 63B 69 8,-3.1 8,-2.5 -2,-0.5 2,-0.9 -0.923 14.9-157.1-112.0 122.4 21.8 10.5 6.5 56 56 A M E -DE 8 62B 1 -48,-2.2 -49,-2.6 -2,-0.5 -48,-0.8 -0.872 32.8-150.0 -90.3 107.4 23.3 11.5 9.8 57 57 A Q > - 0 0 41 4,-2.7 3,-1.7 -2,-0.9 -51,-0.1 -0.417 22.3-120.5 -86.2 156.9 25.8 14.0 8.5 58 58 A N T 3 S+ 0 0 78 1,-0.3 23,-2.2 2,-0.1 -1,-0.1 0.655 112.7 61.5 -66.2 -17.2 29.2 15.0 10.0 59 59 A D T 3 S- 0 0 40 21,-0.2 19,-2.9 2,-0.2 -1,-0.3 0.386 122.1-105.1 -90.4 5.2 28.0 18.6 10.3 60 60 A G S < S+ 0 0 0 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.413 79.2 132.3 90.5 -2.3 25.2 17.5 12.7 61 61 A N - 0 0 18 17,-0.1 -4,-2.7 14,-0.1 2,-0.6 -0.647 47.5-148.5 -82.3 139.3 22.4 17.8 10.1 62 62 A L E -E 56 0B 0 -2,-0.3 12,-2.3 -6,-0.2 2,-0.4 -0.947 27.1-178.8-108.1 122.4 20.0 14.9 9.7 63 63 A V E -EF 55 73B 4 -8,-2.5 -8,-3.1 -2,-0.6 2,-0.5 -0.965 28.4-144.3-134.5 135.5 18.8 14.7 6.2 64 64 A I E -EF 54 72B 0 8,-2.7 7,-3.0 -2,-0.4 8,-1.1 -0.854 28.5-176.6 -92.5 127.5 16.4 12.7 4.1 65 65 A Y E -EF 53 70B 46 -12,-2.2 -12,-2.9 -2,-0.5 2,-0.5 -0.934 25.9-159.4-121.1 147.9 17.7 12.2 0.5 66 66 A S E > S-EF 52 69B 6 3,-2.6 3,-2.1 -2,-0.3 2,-0.2 -0.960 79.4 -51.8-119.0 106.8 16.2 10.5 -2.5 67 67 A G T 3 S- 0 0 57 -16,-0.5 -14,-0.1 -2,-0.5 -16,-0.0 -0.482 123.3 -22.3 57.6-123.6 19.3 9.8 -4.6 68 68 A S T 3 S+ 0 0 114 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.541 116.5 102.3 -91.3 -7.9 21.0 13.2 -4.8 69 69 A R E < -F 66 0B 144 -3,-2.1 -3,-2.6 1,-0.0 2,-0.3 -0.654 68.2-134.5 -83.9 127.9 17.8 15.2 -4.0 70 70 A A E +F 65 0B 72 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.612 27.0 172.5 -75.6 136.9 17.4 16.7 -0.5 71 71 A I E - 0 0 43 -7,-3.0 2,-0.3 1,-0.5 -6,-0.2 0.720 60.7 -10.1-114.2 -38.5 13.8 16.1 0.9 72 72 A W E -F 64 0B 57 -8,-1.1 -8,-2.7 -27,-0.0 -1,-0.5 -0.972 57.5-165.8-164.1 151.5 13.9 17.2 4.5 73 73 A A E -F 63 0B 23 -2,-0.3 -10,-0.2 -10,-0.2 -12,-0.0 -0.995 31.9-132.8-148.0 150.1 16.4 18.2 7.2 74 74 A S - 0 0 14 -12,-2.3 -11,-0.1 -2,-0.3 -1,-0.1 0.724 42.8-138.5 -68.7 -21.0 16.6 18.7 10.9 75 75 A N + 0 0 124 -13,-0.3 -14,-0.1 1,-0.1 -12,-0.1 0.834 64.7 128.3 62.6 35.2 18.4 22.0 10.1 76 76 A T + 0 0 20 -16,-0.1 -1,-0.1 -14,-0.1 -15,-0.0 0.040 27.5 149.5-109.1 22.5 20.8 21.3 12.9 77 77 A N + 0 0 92 -17,-0.1 -17,-0.2 -15,-0.1 2,-0.2 -0.303 12.8 138.5 -54.2 134.9 23.9 21.8 10.7 78 78 A R - 0 0 117 -19,-2.9 -17,-0.1 1,-0.2 3,-0.1 -0.648 56.6 -24.5-150.8-149.7 26.9 23.2 12.7 79 79 A Q S S- 0 0 123 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 -0.399 76.8 -93.4 -70.3 150.4 30.6 22.6 12.8 80 80 A N + 0 0 127 -2,-0.1 2,-0.3 -3,-0.1 -21,-0.2 -0.314 69.0 119.2 -60.2 145.6 31.9 19.1 11.7 81 81 A G - 0 0 31 -23,-2.2 2,-0.6 -3,-0.1 -21,-0.2 -0.954 66.9 -56.7-177.2-166.6 32.3 16.6 14.5 82 82 A N + 0 0 120 -2,-0.3 2,-0.3 -23,-0.1 16,-0.2 -0.896 59.3 162.9 -97.8 117.5 31.2 13.2 15.7 83 83 A Y - 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