==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 26-JUL-11 3T4G . COMPND 2 MOLECULE: CYCLIC PSEUDO-PEPTIDE (ORN)AIIGLMV(ORN)KF(HAO)(4B . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.ZHAO,C.LIU,P.N.CHENG,D.EISENBERG,J.S.NOWICK . 26 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 34.6 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 . 0 0.0 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 7.7 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 . 1 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 7.7 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 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 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 0 A X 0 0 174 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.1 7.2 0.7 -3.4 2 1 A A - 0 0 56 13,-2.5 13,-1.8 2,-0.0 2,-0.4 -0.954 360.0-103.0-141.1 158.4 9.8 3.4 -2.4 3 2 A I - 0 0 167 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.715 42.1-168.7 -76.9 124.4 12.6 5.6 -3.6 4 3 A I - 0 0 125 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.986 6.6-173.7-123.4 134.5 15.9 4.1 -2.7 5 4 A G - 0 0 46 -2,-0.4 2,-0.4 2,-0.0 7,-0.0 -0.934 8.2-158.9-123.4 148.6 19.3 5.7 -2.9 6 5 A L - 0 0 137 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.999 4.0-165.6-131.6 133.4 22.8 4.4 -2.3 7 6 A M 0 0 121 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.967 360.0 360.0-120.6 124.9 25.8 6.5 -1.5 8 7 A V 0 0 103 3,-2.2 3,-2.3 -2,-0.5 -2,-0.0 -0.950 360.0 360.0-133.2 360.0 29.3 5.1 -1.8 9 ! 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 10 8 A X 0 0 170 0, 0.0 2,-0.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 176.0 31.3 10.3 -3.3 11 9 A K 0 0 70 -3,-2.3 -3,-2.2 0, 0.0 0, 0.0 -0.619 360.0 360.0 -96.2 155.8 28.8 8.8 -5.7 12 10 A F 0 0 149 -2,-0.2 -5,-0.2 -5,-0.2 -7,-0.0 -0.995 360.0 360.0-145.9 360.0 25.0 8.6 -5.3 13 ! 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 14 12 A X 0 0 236 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 145.6 12.9 2.6 -7.1 15 13 A K 0 0 159 -13,-1.8 -13,-2.5 0, 0.0 0, 0.0 -0.912 360.0 360.0-152.5 360.0 11.3 -0.6 -6.3 16 !* 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 17 0 B X 0 0 184 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.8 19.6 21.1 -15.2 18 1 B A - 0 0 67 13,-1.2 13,-1.5 2,-0.0 2,-0.3 -0.964 360.0 -81.0-161.1 173.1 20.0 18.2 -12.7 19 2 B I - 0 0 155 -2,-0.3 2,-0.4 11,-0.2 0, 0.0 -0.639 42.5-161.9 -90.8 140.5 18.6 16.5 -9.6 20 3 B I - 0 0 119 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.988 8.4-177.1-128.0 132.0 19.5 18.1 -6.3 21 4 B G - 0 0 50 -2,-0.4 2,-0.4 2,-0.0 7,-0.0 -0.981 10.8-157.1-127.8 155.5 19.3 16.6 -2.9 22 5 B L - 0 0 134 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.978 4.1-164.6-133.5 134.0 19.9 17.8 0.6 23 6 B M 0 0 120 -2,-0.4 5,-0.2 5,-0.2 -2,-0.0 -0.955 360.0 360.0-118.3 121.2 20.7 15.7 3.6 24 7 B V 0 0 102 3,-2.6 3,-2.6 -2,-0.5 -2,-0.0 -0.940 360.0 360.0-124.8 360.0 20.4 17.1 7.1 25 ! 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 26 8 B X 0 0 173 0, 0.0 2,-0.4 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0-171.8 19.1 11.8 9.0 27 9 B K 0 0 156 -3,-2.6 -3,-2.6 0, 0.0 0, 0.0 -0.836 360.0 360.0-102.5 141.7 16.6 13.5 6.7 28 10 B F 0 0 140 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.0 -0.994 360.0 360.0-134.4 360.0 17.0 13.5 2.9 29 ! 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 30 12 B X 0 0 243 0, 0.0 -11,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 150.5 15.0 19.5 -9.4 31 13 B K 0 0 160 -13,-1.5 -13,-1.2 0, 0.0 0, 0.0 -0.781 360.0 360.0-140.5 360.0 16.4 22.6 -10.8