==== 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 2NLF . 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) . 5303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 36 50.0 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 . 2 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.3 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 0 105 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 179.7 25.2 -4.7 10.8 2 2 A H H > + 0 0 93 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 360.0 48.9 -56.6 -47.9 21.8 -6.2 10.1 3 3 A Y H > S+ 0 0 177 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.959 116.2 40.7 -59.3 -55.3 22.0 -8.8 12.9 4 4 A N H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.875 113.5 54.5 -64.9 -35.8 23.2 -6.4 15.6 5 5 A a H <>S+ 0 0 4 -4,-2.9 5,-2.9 1,-0.2 -2,-0.2 0.962 114.1 40.5 -62.5 -50.2 20.8 -3.6 14.5 6 6 A V H ><5S+ 0 0 76 -4,-2.7 3,-1.4 1,-0.2 47,-0.2 0.901 114.1 53.3 -65.8 -43.1 17.8 -5.9 14.7 7 7 A S H 3<5S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.843 110.4 47.8 -59.1 -36.1 19.0 -7.6 17.9 8 8 A S T 3<5S- 0 0 68 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.200 124.1 -96.4 -94.2 11.7 19.4 -4.2 19.6 9 9 A G T < 5S+ 0 0 21 -3,-1.4 43,-0.4 1,-0.3 42,-0.2 0.541 80.9 128.7 91.6 9.9 16.0 -2.7 18.6 10 10 A G < - 0 0 2 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.3 -0.361 51.1-131.2 -91.6 172.5 17.0 -0.7 15.6 11 11 A Q E -A 35 0A 54 24,-1.9 24,-3.0 -2,-0.1 2,-0.4 -0.995 15.3-130.6-123.3 129.2 15.5 -0.8 12.1 12 12 A b E +A 34 0A 16 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.641 35.5 176.0 -76.5 132.0 17.6 -1.1 8.9 13 13 A E E -A 33 0A 61 20,-2.8 20,-3.2 -2,-0.4 14,-0.1 -0.991 33.6-158.1-142.9 133.7 16.6 1.6 6.4 14 14 A Y S S+ 0 0 165 -2,-0.4 -1,-0.1 18,-0.2 3,-0.1 0.810 85.3 30.9 -76.3 -32.2 17.9 2.6 3.0 15 15 A S S S- 0 0 101 1,-0.3 18,-0.2 18,-0.1 -2,-0.1 -0.162 116.2 -27.5-112.0-157.9 16.4 6.1 3.2 16 16 A A S S- 0 0 86 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 -0.288 73.9-102.8 -58.7 144.1 15.7 8.6 6.0 17 17 A c - 0 0 27 1,-0.1 3,-0.1 -3,-0.1 4,-0.1 -0.269 45.5 -93.6 -59.5 147.6 15.0 7.0 9.5 18 18 A P > - 0 0 33 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.260 63.9 -68.3 -57.7 156.2 11.4 6.9 10.5 19 19 A I T 3 S+ 0 0 112 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.094 122.5 20.1 -52.9 138.6 10.2 9.9 12.6 20 20 A F T 3 S+ 0 0 123 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.572 109.6 89.3 74.9 15.6 11.8 10.0 16.2 21 21 A T < - 0 0 28 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.3 -0.926 54.2-170.3-128.9 164.1 14.7 7.7 15.2 22 22 A K - 0 0 150 -2,-0.3 14,-2.6 -3,-0.1 2,-0.2 -0.921 35.5 -67.9-148.7 170.2 18.2 8.5 13.8 23 23 A I E +B 35 0A 96 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.390 47.4 157.6 -67.1 131.0 21.2 6.9 12.4 24 24 A Q E - 0 0 112 10,-3.2 2,-0.1 1,-0.4 -1,-0.1 -0.613 66.2 -32.2-149.0 79.9 23.3 4.7 14.7 25 25 A G E S- 0 0 44 -2,-0.1 9,-2.6 8,-0.0 -1,-0.4 -0.408 74.2 -88.6 98.8-174.2 25.3 2.3 12.6 26 26 A T E -B 33 0A 58 7,-0.3 2,-0.3 -2,-0.1 7,-0.3 -0.788 23.1-160.7-136.5 166.3 24.7 0.6 9.3 27 27 A b E > +B 32 0A 0 5,-2.1 5,-2.8 -2,-0.2 4,-0.2 -0.965 62.3 39.2-139.4 164.1 23.1 -2.5 7.7 28 28 A Y T > 5S- 0 0 75 -2,-0.3 3,-2.0 1,-0.2 -1,-0.2 0.970 133.0 -40.7 66.0 62.8 23.4 -4.4 4.3 29 29 A R T 3 5S- 0 0 243 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.870 113.4 -58.8 51.0 37.2 27.1 -4.1 3.5 30 30 A G T 3 5S+ 0 0 39 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.448 116.5 111.5 79.9 -0.2 27.0 -0.5 4.8 31 31 A K T < 5S+ 0 0 158 -3,-2.0 2,-0.3 -4,-0.2 -3,-0.2 0.618 72.8 47.5 -84.9 -12.9 24.3 0.6 2.2 32 32 A A E 0 0 123 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-178.8 0.2 8.2 22.1 39 2 B H H > + 0 0 60 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.912 360.0 49.4 -52.4 -48.3 3.9 9.4 22.2 40 3 B Y H > S+ 0 0 178 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.938 115.0 42.1 -60.2 -50.5 3.1 12.1 24.8 41 4 B N H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 6,-0.3 0.879 112.8 54.0 -68.2 -35.8 1.2 9.8 27.2 42 5 B d H <>S+ 0 0 2 -4,-3.1 5,-3.0 2,-0.2 3,-0.3 0.965 113.9 41.7 -62.0 -47.1 3.6 6.9 26.7 43 6 B V H ><5S+ 0 0 89 -4,-2.8 3,-1.4 -5,-0.2 -2,-0.2 0.920 114.4 51.9 -66.9 -42.8 6.6 9.1 27.7 44 7 B S H 3<5S+ 0 0 77 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.802 111.6 47.0 -60.5 -31.1 4.6 10.8 30.6 45 8 B S T 3<5S- 0 0 54 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.143 125.4 -92.7-105.3 18.4 3.7 7.5 32.1 46 9 B G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 1,-0.3 2,-0.1 0.535 82.3 127.1 92.2 4.9 7.1 5.7 32.0 47 10 B G < - 0 0 10 -5,-3.0 2,-0.4 -6,-0.3 -1,-0.3 -0.449 50.1-136.8 -87.9 173.5 7.0 4.0 28.7 48 11 B Q E -C 72 0B 107 24,-1.8 24,-3.0 -2,-0.1 2,-0.4 -1.000 18.0-129.4-125.9 130.2 9.3 4.0 25.7 49 12 B e E +C 71 0B 17 -2,-0.4 2,-0.4 22,-0.2 22,-0.2 -0.651 34.3 178.7 -79.5 131.9 8.1 4.2 22.1 50 13 B E E -C 70 0B 41 20,-2.8 20,-3.3 -2,-0.4 14,-0.1 -0.994 31.3-161.4-139.6 130.0 9.7 1.5 20.0 51 14 B Y S S+ 0 0 36 -2,-0.4 -1,-0.1 18,-0.2 3,-0.1 0.799 85.8 31.9 -75.6 -30.1 9.2 0.5 16.3 52 15 B S S S- 0 0 33 -43,-0.4 18,-0.2 1,-0.3 -2,-0.1 -0.066 117.3 -28.2-109.6-157.7 10.6 -3.0 16.8 53 16 B A S S- 0 0 67 -47,-0.2 -1,-0.3 -43,-0.1 -2,-0.1 -0.377 72.8-102.2 -58.4 143.8 10.6 -5.4 19.8 54 17 B f - 0 0 26 1,-0.1 3,-0.1 -4,-0.1 4,-0.1 -0.300 45.9 -94.9 -56.5 145.1 10.4 -3.9 23.2 55 18 B P > - 0 0 48 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.209 63.2 -67.4 -57.5 155.3 13.7 -3.8 25.2 56 19 B I T 3 S+ 0 0 138 1,-0.3 3,-0.1 -3,-0.1 0, 0.0 -0.082 122.3 18.8 -51.4 136.8 14.3 -6.7 27.6 57 20 B F T 3 S+ 0 0 194 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.570 109.5 89.9 75.7 14.9 11.9 -6.8 30.6 58 21 B T < - 0 0 47 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.3 -0.901 52.7-171.7-130.1 163.6 9.3 -4.6 29.0 59 22 B K - 0 0 139 -2,-0.3 14,-2.6 -3,-0.1 2,-0.1 -0.948 35.6 -65.0-148.8 170.9 6.3 -5.3 26.8 60 23 B I E +D 72 0B 103 -2,-0.3 12,-0.2 12,-0.2 2,-0.1 -0.344 45.1 159.4 -66.1 133.3 3.6 -3.6 24.7 61 24 B Q E - 0 0 110 10,-2.9 2,-0.1 1,-0.5 -1,-0.1 -0.621 67.4 -35.3-149.7 83.3 1.0 -1.4 26.4 62 25 B G E S- 0 0 47 -2,-0.1 9,-2.9 8,-0.0 -1,-0.5 -0.349 75.8 -88.4 90.2-176.5 -0.5 0.9 23.8 63 26 B T E -D 70 0B 74 7,-0.3 2,-0.3 -2,-0.1 7,-0.3 -0.752 23.2-156.7-128.2 170.2 1.1 2.6 20.8 64 27 B e E > +D 69 0B 0 5,-2.1 5,-2.8 -2,-0.2 4,-0.2 -0.956 62.8 38.7-138.5 165.2 3.0 5.6 19.5 65 28 B Y T > 5S- 0 0 34 -2,-0.3 3,-2.1 1,-0.2 -1,-0.2 0.963 131.5 -43.8 67.4 59.0 3.6 7.4 16.2 66 29 B R T 3 5S- 0 0 258 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.865 113.3 -56.9 52.8 35.0 0.2 7.3 14.6 67 30 B G T 3 5S+ 0 0 49 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.441 116.0 110.8 81.3 2.8 0.1 3.6 15.6 68 31 B K T < 5S+ 0 0 160 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.2 0.664 74.6 47.2 -85.1 -14.8 3.4 2.5 13.9 69 32 B A E