==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 04-MAY-12 2LSQ . COMPND 2 MOLECULE: ANALOG OF THE FRAGMENT 197-221 OF BETA-1 ADRENORE . SOURCE 2 SYNTHETIC: YES; . AUTHOR V.N.BUSHUEV,K.A.ZYKOV,Z.D.BESPALOVA,R.S.BIBILASHVILI,E.E.EFR . 25 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 44.0 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 . 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 . 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 . 1 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 8.0 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 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 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 1 A N 0 0 206 0, 0.0 21,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -66.4 2.1 -0.0 -1.2 2 2 A a - 0 0 47 1,-0.1 21,-0.3 19,-0.1 3,-0.1 -0.617 360.0-128.6 -87.0 144.5 2.8 -3.7 -1.7 3 3 A W - 0 0 102 -2,-0.3 21,-1.1 1,-0.1 2,-0.4 0.121 40.3 -70.8 -74.3-165.5 -0.0 -6.2 -1.8 4 4 A R > - 0 0 176 19,-0.1 3,-1.0 1,-0.1 2,-0.1 -0.748 27.1-140.4 -95.9 139.9 -0.3 -9.4 0.2 5 5 A A T 3 S+ 0 0 56 -2,-0.4 -1,-0.1 1,-0.2 3,-0.0 -0.085 97.7 62.3 -87.3 35.7 1.9 -12.4 -0.4 6 6 A E T 3 S+ 0 0 166 -2,-0.1 2,-0.6 0, 0.0 -1,-0.2 0.174 75.3 104.1-142.0 13.4 -1.0 -14.8 0.2 7 7 A S X - 0 0 24 -3,-1.0 3,-1.0 1,-0.1 4,-0.4 -0.899 54.2-157.3-106.8 122.2 -3.4 -13.8 -2.6 8 8 A D T >> S+ 0 0 105 -2,-0.6 4,-1.0 1,-0.3 3,-0.7 0.730 96.0 62.3 -66.0 -21.6 -3.7 -16.1 -5.7 9 9 A E H 3> S+ 0 0 110 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.746 87.5 71.0 -75.3 -24.2 -4.9 -13.0 -7.6 10 10 A A H <4 S+ 0 0 12 -3,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.763 101.7 45.6 -62.9 -24.9 -1.6 -11.3 -7.0 11 11 A R H <4 S+ 0 0 176 -3,-0.7 4,-0.3 -4,-0.4 -1,-0.2 0.843 116.3 42.9 -86.0 -38.3 -0.1 -13.7 -9.5 12 12 A R H >< S+ 0 0 203 -4,-1.0 3,-1.1 1,-0.2 -2,-0.2 0.889 116.0 47.7 -74.6 -41.0 -2.8 -13.5 -12.1 13 13 A b G >< S+ 0 0 23 -4,-3.3 3,-1.9 1,-0.2 6,-0.3 0.757 92.3 80.4 -71.0 -24.8 -3.1 -9.7 -11.9 14 14 A Y G 3 S+ 0 0 180 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.778 90.8 54.2 -52.3 -27.1 0.7 -9.5 -12.1 15 15 A N G < S+ 0 0 145 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.1 -0.125 99.1 84.5-100.2 35.8 0.3 -9.9 -15.8 16 16 A D S X S- 0 0 77 -3,-1.9 3,-1.3 3,-0.3 -3,-0.0 -0.992 73.3-136.3-139.9 146.1 -2.2 -7.0 -16.1 17 17 A P G > S+ 0 0 111 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.754 106.6 61.3 -69.8 -25.1 -1.9 -3.2 -16.5 18 18 A K G 3 S+ 0 0 189 1,-0.2 -4,-0.1 2,-0.1 -5,-0.1 0.328 114.2 36.0 -84.0 8.1 -4.6 -2.7 -13.9 19 19 A b G < + 0 0 22 -3,-1.3 -3,-0.3 -6,-0.3 -1,-0.2 -0.160 65.6 136.9-153.8 47.3 -2.3 -4.5 -11.4 20 20 A S < + 0 0 98 -3,-0.7 -6,-0.1 -5,-0.1 -2,-0.1 0.227 44.2 121.8 -81.9 15.7 1.3 -3.5 -12.1 21 21 A D - 0 0 57 1,-0.1 2,-0.3 -8,-0.1 -19,-0.1 0.264 67.7-110.6 -61.5-164.5 1.8 -3.1 -8.4 22 22 A S - 0 0 84 -21,-0.4 2,-0.2 2,-0.0 -2,-0.1 -0.820 21.3-148.7-141.6 98.4 4.4 -5.0 -6.4 23 23 A V - 0 0 42 -2,-0.3 2,-0.4 -21,-0.3 -19,-0.1 -0.468 31.0-108.7 -68.4 130.2 3.3 -7.7 -3.9 24 24 A a 0 0 68 -21,-1.1 -1,-0.1 -2,-0.2 -19,-0.1 -0.444 360.0 360.0 -63.0 114.0 5.7 -8.0 -1.0 25 25 A K 0 0 244 -2,-0.4 -1,-0.2 -21,-0.1 -2,-0.1 0.530 360.0 360.0 -90.0 360.0 7.4 -11.4 -1.4