==== 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 25-JAN-07 2JNI . COMPND 2 MOLECULE: ARENICIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: ARENICOLA MARINA; . AUTHOR T.V.OVCHINNIKOVA,Z.O.SHENKAREV,K.D.NADEZHDIN,S.V.BALANDIN, . 21 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 52.4 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 . 9 42.9 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 . 1 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 . 2 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 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 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 215 0, 0.0 2,-0.3 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 50.6 -16.6 0.9 0.3 2 2 A W - 0 0 162 2,-0.0 19,-2.0 0, 0.0 2,-0.3 -0.962 360.0-148.6-150.7 161.7 -13.6 -1.3 -0.2 3 3 A a E +A 20 0A 63 -2,-0.3 2,-0.3 17,-0.2 17,-0.3 -0.985 15.2 175.1-137.4 145.8 -10.0 -1.5 0.8 4 4 A V E -A 19 0A 71 15,-1.6 15,-2.4 -2,-0.3 2,-0.2 -0.989 24.3-122.5-150.1 151.0 -6.9 -2.8 -0.9 5 5 A Y E -A 18 0A 159 -2,-0.3 2,-0.3 13,-0.3 13,-0.3 -0.571 26.3-176.3 -94.2 158.6 -3.2 -2.9 -0.3 6 6 A A E -A 17 0A 28 11,-2.4 11,-2.5 -2,-0.2 2,-0.4 -0.970 21.9-121.3-150.1 160.0 -0.4 -1.6 -2.6 7 7 A Y E -A 16 0A 149 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.898 24.2-170.1-110.6 135.4 3.3 -1.4 -2.7 8 8 A V E -A 15 0A 57 7,-3.0 7,-2.9 -2,-0.4 2,-0.9 -0.904 27.4-115.5-123.1 151.4 5.3 1.8 -2.9 9 9 A R E +A 14 0A 199 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.775 48.7 154.7 -89.9 106.8 9.0 2.4 -3.6 10 10 A I E > +A 13 0A 85 3,-3.0 3,-1.4 -2,-0.9 -2,-0.1 -1.000 63.7 3.5-136.7 133.9 10.6 3.9 -0.5 11 11 A R T 3 S- 0 0 230 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.848 127.7 -63.7 62.6 35.6 14.2 3.8 0.6 12 12 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.661 122.6 100.2 62.7 15.9 15.1 1.9 -2.6 13 13 A V E < S-A 10 0A 89 -3,-1.4 -3,-3.0 -5,-0.0 2,-0.7 -0.863 78.6-113.2-128.8 162.7 12.8 -0.8 -1.2 14 14 A L E -A 9 0A 98 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.880 33.5-172.3-101.9 115.2 9.3 -1.9 -1.9 15 15 A V E -A 8 0A 71 -7,-2.9 -7,-3.0 -2,-0.7 2,-0.3 -0.863 13.8-138.4-109.1 141.8 7.0 -1.4 1.1 16 16 A R E +A 7 0A 190 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.742 25.6 171.3 -99.7 146.7 3.4 -2.7 1.3 17 17 A Y E -A 6 0A 82 -11,-2.5 -11,-2.4 -2,-0.3 2,-0.4 -0.944 30.1-111.6-147.8 166.3 0.5 -0.7 2.7 18 18 A R E -A 5 0A 193 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.858 30.2-171.9-106.4 138.3 -3.3 -0.8 3.1 19 19 A R E -A 4 0A 156 -15,-2.4 -15,-1.6 -2,-0.4 2,-0.3 -0.857 5.4-159.2-125.9 160.8 -5.6 1.6 1.3 20 20 A a E A 3 0A 70 -2,-0.3 -17,-0.2 -17,-0.3 -2,-0.0 -0.911 360.0 360.0-136.2 161.7 -9.3 2.4 1.5 21 21 A W 0 0 172 -19,-2.0 -1,-0.1 -2,-0.3 -17,-0.0 -0.035 360.0 360.0 -67.7 360.0 -11.8 4.0 -0.8