==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 18-JUN-10 3NJW . COMPND 2 MOLECULE: BICYCLIC PEPTIDE BI-32169; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR H.NAR,A.SCHMID,C.PUDER,O.POTTERAT . 19 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 1614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 47.4 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 . 5 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 5.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 15.8 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 41 0, 0.0 14,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 8.2 7.3 24.4 5.5 2 2 A L B -A 14 0A 62 12,-2.8 12,-2.6 2,-0.2 7,-0.2 -0.610 360.0-128.7-102.5 157.0 9.0 21.9 7.7 3 3 A P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 12,-0.1 0.097 94.2 51.5 -85.2 23.6 11.9 19.5 7.3 4 4 A W S S+ 0 0 152 10,-0.2 2,-0.3 2,-0.1 -2,-0.2 -0.980 81.8 46.3-151.2 164.2 9.8 16.7 8.7 5 5 A G S S- 0 0 34 -2,-0.3 9,-0.0 10,-0.2 4,-0.0 -0.715 89.2 -42.8 104.5-158.9 6.4 15.2 8.1 6 6 A a E S-B 15 0A 40 9,-1.9 9,-2.2 -2,-0.3 12,-0.3 -0.725 80.0 -54.7-106.6 158.7 4.7 14.3 4.8 7 7 A P E S+B 14 0A 94 0, 0.0 7,-0.2 0, 0.0 6,-0.1 -0.525 95.8 28.0 -68.0 136.9 4.7 16.2 1.5 8 8 A S + 0 0 70 5,-0.7 6,-0.3 -2,-0.2 2,-0.1 0.653 36.3 167.5-140.0 152.0 3.7 19.0 1.4 9 9 A D > - 0 0 18 4,-1.7 3,-1.7 -7,-0.2 -1,-0.2 -0.392 61.3 -91.7 -83.5 175.5 3.3 22.2 3.4 10 10 A I T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 5,-0.0 0.906 127.0 54.3 -64.7 -36.1 2.4 25.4 1.6 11 11 A P T 3 S- 0 0 100 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.616 122.8-105.2 -68.8 -8.1 6.1 26.4 1.0 12 12 A G S < S+ 0 0 49 -3,-1.7 -2,-0.1 1,-0.2 2,-0.1 0.488 91.4 102.6 97.2 0.4 6.7 23.1 -0.6 13 13 A W S S- 0 0 151 1,-0.2 -4,-1.7 -6,-0.1 -5,-0.7 0.141 77.8 -80.4 -84.9-146.9 8.5 21.4 2.2 14 14 A N E -AB 2 7A 47 -12,-2.6 -12,-2.8 -6,-0.3 -10,-0.2 -0.634 35.8-173.9-116.7 171.3 6.7 18.9 4.5 15 15 A T E > - B 0 6A 23 -9,-2.2 -9,-1.9 -2,-0.2 3,-1.9 -0.910 34.0-127.9-159.4 145.3 4.4 18.9 7.5 16 16 A P G > S+ 0 0 56 0, 0.0 3,-1.6 0, 0.0 -11,-0.1 0.830 109.3 66.6 -55.8 -31.3 2.9 16.3 9.8 17 17 A W G 3 S+ 0 0 240 1,-0.3 -12,-0.1 2,-0.2 -8,-0.0 0.645 93.2 60.0 -65.9 -18.8 -0.5 17.8 9.0 18 18 A A G < 0 0 40 -3,-1.9 -1,-0.3 -12,-0.3 -13,-0.0 0.520 360.0 360.0 -85.4 -8.5 -0.1 16.6 5.3 19 19 A a < 0 0 125 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.952 360.0 360.0 -71.7 360.0 0.2 12.9 6.3