==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 27-JAN-11 2L8X . COMPND 2 MOLECULE: ARENICIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: ARENICOLA MARINA; . AUTHOR Z.O.SHENKAREV,K.I.TRUNOV,A.S.PARAMONOV,A.S.ARSENIEV . 42 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 33 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 40.5 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 . 2 4.8 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-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 . 7 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 4.8 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 1 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 2 0 0 0 0 1 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 0 1 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 R 0 0 234 0, 0.0 2,-0.5 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 154.6 8.1 -6.5 2.3 2 2 A W + 0 0 124 22,-0.0 19,-2.2 2,-0.0 2,-0.3 -0.918 360.0 161.7-108.3 127.2 7.5 -3.8 4.9 3 3 A a E -Ab 20 24A 18 20,-1.3 22,-1.7 -2,-0.5 2,-0.3 -0.788 24.7-144.1-134.2 175.9 8.6 -4.5 8.5 4 4 A V E -Ab 19 25A 16 15,-2.8 15,-1.4 -2,-0.3 2,-0.4 -0.971 7.9-167.1-149.9 130.5 9.3 -2.6 11.6 5 5 A Y E +Ab 18 26A 110 20,-2.1 22,-1.4 -2,-0.3 2,-0.3 -0.980 8.9 178.7-124.2 127.6 11.8 -3.2 14.4 6 6 A A E - b 0 27A 15 11,-3.2 2,-0.3 -2,-0.4 22,-0.3 -0.936 6.1-174.6-127.0 149.3 11.8 -1.5 17.7 7 7 A Y E - b 0 28A 71 20,-1.1 22,-2.2 -2,-0.3 2,-0.4 -0.909 1.7-178.2-148.9 116.2 14.1 -1.8 20.7 8 8 A V E +Cb 15 29A 46 7,-1.7 7,-2.8 -2,-0.3 2,-0.3 -0.953 6.3 169.5-118.2 133.9 13.7 -0.2 24.1 9 9 A R E +Cb 14 30A 96 20,-2.0 22,-1.9 -2,-0.4 2,-0.3 -0.930 10.2 146.2-147.8 118.3 16.2 -0.6 27.0 10 10 A I E > -C 13 0A 44 3,-1.3 3,-2.8 -2,-0.3 2,-2.1 -0.986 65.0 -10.8-150.0 153.5 16.3 1.4 30.2 11 11 A R T 3 S- 0 0 251 -2,-0.3 3,-0.0 1,-0.3 -2,-0.0 -0.352 130.8 -38.3 59.5 -82.9 17.1 0.8 33.8 12 12 A G T 3 S+ 0 0 76 -2,-2.1 2,-0.3 0, 0.0 -1,-0.3 0.094 114.4 98.4-161.7 26.4 17.4 -2.9 33.5 13 13 A V E < -C 10 0A 95 -3,-2.8 -3,-1.3 2,-0.0 2,-0.4 -0.878 48.5-159.8-122.4 154.6 14.6 -3.9 31.1 14 14 A L E -C 9 0A 79 -2,-0.3 2,-0.7 -5,-0.2 -5,-0.2 -0.934 6.9-178.0-139.3 111.9 14.6 -4.6 27.4 15 15 A V E -C 8 0A 83 -7,-2.8 -7,-1.7 -2,-0.4 2,-1.0 -0.853 6.9-171.7-113.4 94.2 11.4 -4.4 25.3 16 16 A R - 0 0 129 -2,-0.7 -9,-0.3 -9,-0.2 2,-0.2 -0.765 11.0-168.4 -90.0 102.7 12.2 -5.4 21.8 17 17 A Y + 0 0 159 -2,-1.0 -11,-3.2 -11,-0.3 2,-0.3 -0.534 8.6 174.5 -89.8 157.2 9.1 -4.7 19.7 18 18 A R E +A 5 0A 164 -13,-0.2 2,-0.3 -2,-0.2 -13,-0.2 -0.928 8.5 173.0-152.1 172.6 8.5 -5.8 16.1 19 19 A R E -A 4 0A 112 -15,-1.4 -15,-2.8 -2,-0.3 2,-0.3 -0.897 6.4-169.1 179.6 152.7 5.9 -5.9 13.4 20 20 A a E A 3 0A 67 -17,-0.3 -17,-0.2 -2,-0.3 -2,-0.0 -0.976 360.0 360.0-150.6 157.1 5.4 -6.8 9.7 21 21 A W 0 0 164 -19,-2.2 -17,-0.0 -2,-0.3 -2,-0.0 -0.292 360.0 360.0-112.6 360.0 2.8 -6.3 7.1 22 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 31 B R 0 0 140 0, 0.0 -20,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.9 8.8 0.5 4.2 24 32 B W E -b 3 0A 98 19,-0.8 19,-1.9 -22,-0.2 -20,-0.2 -0.899 360.0-165.2-138.7 104.9 11.0 -0.2 7.2 25 33 B b E -bD 4 42A 41 -22,-1.7 -20,-2.1 -2,-0.4 2,-0.3 -0.585 4.8-172.4 -88.9 152.4 10.2 1.6 10.5 26 34 B V E +bD 5 41A 31 15,-1.8 15,-1.5 -2,-0.2 2,-0.3 -0.935 11.4 163.6-150.5 121.9 12.7 1.7 13.3 27 35 B Y E +bD 6 40A 141 -22,-1.4 -20,-1.1 -2,-0.3 2,-0.3 -0.926 8.7 157.4-145.2 115.7 12.1 3.0 16.9 28 36 B A E -bD 7 39A 22 11,-1.3 11,-1.8 -2,-0.3 -20,-0.3 -0.898 23.4-162.3-133.9 162.1 14.3 2.3 19.9 29 37 B Y E +bD 8 38A 80 -22,-2.2 -20,-2.0 -2,-0.3 2,-0.4 -0.596 20.4 166.8-148.9 80.2 15.0 3.9 23.2 30 38 B V E -bD 9 37A 33 7,-1.8 7,-3.0 -22,-0.2 2,-0.4 -0.785 7.8-179.2 -99.1 140.3 18.2 2.8 24.9 31 39 B R E + D 0 36A 129 -22,-1.9 2,-0.3 -2,-0.4 5,-0.2 -0.998 7.0 160.4-142.5 135.7 19.6 4.7 27.8 32 40 B I E > - D 0 35A 86 3,-1.8 3,-3.0 -2,-0.4 2,-1.8 -0.973 61.8 -8.9-150.1 159.1 22.8 4.1 29.9 33 41 B R T 3 S- 0 0 242 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 -0.290 129.0 -41.9 54.4 -84.0 25.0 6.1 32.3 34 42 B G T 3 S+ 0 0 61 -2,-1.8 2,-0.4 1,-0.1 -1,-0.3 0.096 115.7 95.2-163.4 27.2 23.4 9.4 31.5 35 43 B V E < -D 32 0A 101 -3,-3.0 -3,-1.8 2,-0.0 2,-0.7 -0.992 55.3-152.6-132.3 124.9 22.8 9.5 27.8 36 44 B L E -D 31 0A 55 -2,-0.4 2,-0.9 -5,-0.2 -5,-0.3 -0.871 7.2-160.1-100.4 116.4 19.6 8.5 26.1 37 45 B V E +D 30 0A 100 -7,-3.0 -7,-1.8 -2,-0.7 2,-0.3 -0.841 17.2 178.9 -99.7 102.6 20.0 7.2 22.6 38 46 B R E -D 29 0A 172 -2,-0.9 2,-0.4 -9,-0.2 -9,-0.2 -0.790 7.6-169.3-105.4 147.6 16.7 7.5 20.7 39 47 B Y E +D 28 0A 122 -11,-1.8 -11,-1.3 -2,-0.3 2,-0.3 -1.000 10.4 168.0-139.8 135.7 16.1 6.5 17.1 40 48 B R E +D 27 0A 182 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.937 20.8 119.0-151.0 123.0 13.1 7.2 14.9 41 49 B R E -D 26 0A 114 -15,-1.5 -15,-1.8 -2,-0.3 2,-0.4 -0.899 32.3-155.1-178.1 150.0 12.8 6.7 11.1 42 50 B b E D 25 0A 66 -2,-0.3 -17,-0.3 -17,-0.3 -38,-0.1 -1.000 360.0 360.0-139.2 136.3 10.9 4.8 8.5 43 51 B W 0 0 149 -19,-1.9 -19,-0.8 -2,-0.4 -2,-0.0 -0.614 360.0 360.0 -90.4 360.0 12.0 3.9 4.9