==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 20-OCT-06 2NLD . COMPND 2 MOLECULE: BETA-DEFENSIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LUBKOWSKI,M.PAZGIER . 72 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 58.3 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 . 18 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.8 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 . 0 0.0 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 . 6 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 5.6 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 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 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 D > 0 0 95 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 177.8 1.6 -0.3 8.9 2 2 A H H > + 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.902 360.0 50.6 -54.4 -47.2 -2.1 -0.7 9.6 3 3 A Y H > S+ 0 0 182 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.963 116.4 37.6 -60.6 -53.9 -2.4 -4.0 7.7 4 4 A N H > S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.828 114.2 58.2 -71.7 -25.6 0.4 -5.8 9.4 5 5 A a H ><>S+ 0 0 4 -4,-2.8 5,-2.8 2,-0.2 3,-0.7 0.982 114.7 34.8 -60.7 -58.2 -0.4 -4.1 12.7 6 6 A V H ><5S+ 0 0 77 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.892 113.5 57.3 -71.3 -35.1 -3.9 -5.5 12.8 7 7 A S H 3<5S+ 0 0 75 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.745 108.1 51.5 -64.2 -20.9 -3.1 -8.8 11.1 8 8 A S T <<5S- 0 0 55 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.358 128.6 -96.6 -94.1 1.5 -0.6 -9.3 14.0 9 9 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.673 84.9 123.8 91.9 18.2 -3.1 -8.6 16.7 10 10 A G < - 0 0 10 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.3 -0.544 51.8-133.7-106.1 177.3 -2.3 -5.0 17.2 11 11 A A E -A 35 0A 40 24,-2.3 24,-3.0 -2,-0.2 2,-0.8 -0.994 15.3-127.8-133.0 134.6 -4.4 -1.8 17.1 12 12 A b E +A 34 0A 16 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.752 42.5 172.4 -85.2 111.2 -3.5 1.5 15.3 13 13 A L E -A 33 0A 59 20,-2.8 20,-3.1 -2,-0.8 14,-0.1 -0.931 35.8-153.0-128.6 143.6 -4.0 4.1 18.0 14 14 A Y S S+ 0 0 163 -2,-0.4 2,-0.1 18,-0.2 3,-0.1 0.600 80.9 37.5 -91.5 -15.1 -3.3 7.8 18.2 15 15 A S S S- 0 0 103 1,-0.3 18,-0.2 18,-0.1 -2,-0.1 -0.279 110.6 -32.2-117.1-155.0 -2.8 8.2 22.0 16 16 A A S S- 0 0 85 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 -0.279 70.4-101.3 -63.6 149.7 -1.3 6.0 24.8 17 17 A c - 0 0 34 -3,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.480 40.9-121.4 -71.5 137.4 -1.5 2.2 24.3 18 18 A P > - 0 0 70 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.259 49.5 -58.8 -76.6 168.4 -4.3 0.7 26.5 19 19 A I T 3 S+ 0 0 135 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.102 123.8 22.5 -53.8 139.4 -3.6 -1.9 29.2 20 20 A F T 3 S+ 0 0 184 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.581 109.8 84.4 80.1 11.8 -1.9 -5.2 27.9 21 21 A T < - 0 0 46 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.3 -0.951 51.8-175.6-131.9 162.8 -0.5 -3.6 24.7 22 22 A K - 0 0 130 -2,-0.3 14,-2.8 -3,-0.1 2,-0.3 -0.942 41.8 -71.8-150.1 166.8 2.7 -1.6 23.9 23 23 A I E +B 35 0A 101 -2,-0.3 12,-0.2 12,-0.2 2,-0.2 -0.486 49.9 159.6 -71.4 121.0 4.2 0.2 21.0 24 24 A Q E - 0 0 82 10,-3.1 2,-0.1 -2,-0.3 -1,-0.1 -0.677 64.9 -42.2-137.8 76.9 5.4 -2.2 18.2 25 25 A G E S- 0 0 45 -2,-0.2 9,-2.5 8,-0.0 -1,-0.3 -0.438 72.2 -84.6 97.3-170.8 5.6 -0.1 15.1 26 26 A T E -B 33 0A 57 7,-0.3 2,-0.3 -2,-0.1 7,-0.3 -0.799 25.0-159.1-133.8 170.3 3.4 2.5 13.5 27 27 A b E > +B 32 0A 0 5,-2.2 5,-2.6 -2,-0.2 4,-0.4 -0.942 62.6 40.9-139.6 167.9 0.3 3.1 11.4 28 28 A Y T > 5S- 0 0 95 -2,-0.3 3,-1.9 1,-0.2 -1,-0.2 0.958 132.4 -43.3 60.8 57.9 -1.4 5.8 9.2 29 29 A R T 3 5S- 0 0 129 1,-0.3 -1,-0.2 2,-0.1 38,-0.1 0.868 112.1 -57.6 53.8 39.9 1.7 7.2 7.5 30 30 A G T 3 5S+ 0 0 33 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.488 116.7 108.7 79.1 3.5 3.6 7.1 10.8 31 31 A K T < 5S+ 0 0 134 -3,-1.9 2,-0.3 -4,-0.4 -3,-0.2 0.597 74.1 48.1 -93.2 -13.1 1.1 9.3 12.7 32 32 A A E 0 0 118 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 174.1 3.6 12.9 0.6 39 2 B H H > + 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.900 360.0 48.9 -55.3 -46.4 6.2 13.3 -2.2 40 3 B Y H > S+ 0 0 179 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.974 116.0 40.7 -62.6 -55.7 4.8 16.6 -3.4 41 4 B N H > S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 6,-0.2 0.904 114.5 55.1 -58.7 -40.9 4.6 18.2 -0.0 42 5 B d H ><>S+ 0 0 2 -4,-3.0 5,-2.8 21,-0.2 3,-0.5 0.969 115.0 35.9 -57.6 -57.1 8.0 16.7 0.9 43 6 B V H ><5S+ 0 0 78 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.888 114.0 55.5 -71.2 -36.5 9.9 18.1 -2.0 44 7 B S H 3<5S+ 0 0 79 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.754 108.3 52.4 -66.1 -19.6 8.0 21.4 -2.2 45 8 B S T <<5S- 0 0 49 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.416 128.4 -97.6 -90.3 -1.2 9.0 21.9 1.5 46 9 B G T < 5S+ 0 0 63 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.693 84.8 124.0 91.3 21.5 12.7 21.3 0.8 47 10 B G < - 0 0 11 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.3 -0.594 52.4-132.7-106.5 174.4 12.7 17.6 1.8 48 11 B A E -C 72 0B 40 24,-2.7 24,-3.3 -2,-0.2 2,-0.7 -0.988 14.7-128.8-129.9 138.6 13.7 14.4 0.0 49 12 B e E +C 71 0B 16 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.779 41.7 172.9 -89.3 112.5 11.8 11.1 -0.2 50 13 B L E -C 70 0B 53 20,-2.8 20,-2.8 -2,-0.7 14,-0.1 -0.946 36.8-152.2-131.0 141.8 14.3 8.5 0.9 51 14 B Y S S+ 0 0 163 -2,-0.4 2,-0.1 18,-0.2 3,-0.1 0.660 82.1 36.7 -87.6 -15.9 14.0 4.8 1.6 52 15 B S S S- 0 0 100 1,-0.3 18,-0.2 18,-0.1 -2,-0.1 -0.226 110.2 -32.5-117.6-156.1 16.9 4.5 4.1 53 16 B A - 0 0 81 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 -0.302 69.0-101.7 -63.5 149.8 18.3 6.7 6.8 54 17 B f - 0 0 33 -3,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.489 41.4-123.0 -70.9 135.3 18.2 10.5 6.4 55 18 B P > - 0 0 70 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.245 48.7 -57.8 -77.8 170.0 21.5 11.9 5.4 56 19 B I T 3 S+ 0 0 134 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.132 123.6 23.0 -55.9 140.1 23.4 14.5 7.4 57 20 B F T 3 S+ 0 0 183 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.561 110.1 83.6 80.2 12.7 21.5 17.8 8.0 58 21 B T < - 0 0 46 -3,-1.4 2,-0.3 -4,-0.1 -1,-0.3 -0.966 52.4-175.3-134.3 161.2 18.0 16.3 7.5 59 22 B K - 0 0 135 -2,-0.3 14,-2.8 -3,-0.1 2,-0.4 -0.927 42.2 -70.5-148.1 167.7 15.6 14.3 9.7 60 23 B I E +D 72 0B 97 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.502 52.8 155.1 -71.6 122.4 12.3 12.5 9.4 61 24 B Q E - 0 0 88 10,-3.2 2,-0.2 -2,-0.4 -1,-0.1 -0.652 64.3 -35.5-143.7 72.5 9.4 14.9 8.8 62 25 B G E S- 0 0 29 -2,-0.1 9,-2.1 -33,-0.1 2,-0.3 -0.583 70.3 -88.9 107.2-169.4 6.6 12.9 7.0 63 26 B T E -D 70 0B 17 7,-0.3 2,-0.3 -2,-0.2 7,-0.3 -0.895 23.9-161.1-138.9 167.0 6.5 10.2 4.4 64 27 B e E > +D 69 0B 1 5,-2.4 5,-2.6 -2,-0.3 4,-0.3 -0.949 61.5 39.3-140.1 167.0 6.4 9.6 0.7 65 28 B Y T > 5S- 0 0 97 -2,-0.3 3,-2.0 1,-0.2 -1,-0.2 0.952 131.8 -43.6 63.0 58.0 5.5 6.9 -1.8 66 29 B R T 3 5S- 0 0 211 1,-0.3 -1,-0.2 2,-0.1 -37,-0.1 0.883 111.9 -56.9 52.0 42.8 2.4 5.4 -0.1 67 30 B G T 3 5S+ 0 0 29 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.418 116.4 109.6 80.1 -1.2 4.1 5.6 3.2 68 31 B K T < 5S+ 0 0 138 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.646 74.3 47.1 -87.3 -14.2 7.1 3.4 2.1 69 32 B A E