==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 13-NOV-09 2KQQ . COMPND 2 MOLECULE: INSULIN B CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.X.HUA,Z.L.WAN,M.ZHAO,W.JIA,K.HUANG,M.A.WEISS . 51 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 31 60.8 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 . 2 3.9 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 . 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 . 3 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 7.8 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 1 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 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 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 G >>> 0 0 59 0, 0.0 3,-0.9 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 36.9 -7.2 6.0 1.3 2 2 A I T 345 + 0 0 14 1,-0.3 4,-0.4 2,-0.2 5,-0.2 0.867 360.0 44.5 -44.9 -36.1 -4.3 3.7 0.5 3 3 A V T 3>>S+ 0 0 24 3,-0.2 4,-3.9 2,-0.1 5,-1.0 0.806 109.3 59.8 -80.2 -28.6 -4.7 5.2 -3.1 4 4 A E H <>>S+ 0 0 91 -3,-0.9 4,-1.9 3,-0.2 5,-0.8 0.968 111.1 32.1 -62.3 -85.7 -5.1 8.7 -1.8 5 5 A Q H <5S+ 0 0 137 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.752 129.8 45.4 -45.8 -21.2 -1.8 9.5 0.1 6 6 A a H 4 - 0 0 64 -2,-0.2 4,-1.3 1,-0.1 3,-0.4 -0.917 19.4-134.2-115.9 140.1 5.5 4.2 2.6 13 13 A L H > S+ 0 0 41 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.859 103.2 70.7 -58.7 -31.3 5.8 0.6 1.2 14 14 A Y H > S+ 0 0 187 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.963 102.5 40.1 -51.1 -55.2 5.5 -0.6 4.8 15 15 A Q H 4 S+ 0 0 109 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.796 113.8 58.5 -66.3 -22.3 1.8 0.3 4.9 16 16 A L H >< S+ 0 0 3 -4,-1.3 3,-1.4 1,-0.2 -2,-0.2 0.913 103.6 48.0 -74.2 -40.4 1.6 -1.0 1.3 17 17 A E H >< S+ 0 0 89 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.680 97.7 73.7 -73.9 -11.3 2.8 -4.5 2.3 18 18 A N T 3< S+ 0 0 120 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.682 86.6 63.5 -74.0 -13.1 0.2 -4.3 5.1 19 19 A Y T < + 0 0 79 -3,-1.4 2,-1.8 -4,-0.2 28,-0.7 0.506 66.4 127.5 -87.3 -2.5 -2.4 -4.8 2.4 20 20 A c B < A 46 0A 27 -3,-1.4 26,-0.3 26,-0.2 -3,-0.1 -0.274 360.0 360.0 -55.3 85.7 -1.0 -8.3 1.6 21 21 A N 0 0 180 -2,-1.8 25,-0.2 24,-0.9 24,-0.2 -0.274 360.0 360.0-177.8 360.0 -4.3 -10.0 1.9 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 1 B F 0 0 196 0, 0.0 2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 175.9 13.1 3.0 -2.4 24 2 B V - 0 0 109 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.653 360.0 -52.6-111.1 171.3 11.8 5.9 -4.6 25 3 B N - 0 0 113 -2,-0.2 2,-2.4 1,-0.2 -1,-0.2 -0.114 59.8-123.3 -40.9 127.7 9.1 8.5 -4.1 26 4 B Q + 0 0 31 -15,-0.3 -15,-0.9 -3,-0.1 2,-0.7 -0.384 52.6 155.2 -79.8 69.6 6.0 6.3 -3.2 27 5 B H + 0 0 103 -2,-2.4 2,-0.4 -17,-0.2 -20,-0.2 -0.838 12.6 169.4 -97.6 115.3 3.8 7.7 -6.0 28 6 B L + 0 0 12 -22,-2.1 2,-0.4 -2,-0.7 -19,-0.2 -0.974 11.3 169.8-131.7 125.5 1.2 5.0 -6.8 29 7 B b > - 0 0 44 -2,-0.4 3,-2.1 -22,-0.1 2,-0.3 -0.878 60.8 -78.3-136.9 105.8 -1.9 5.5 -9.1 30 8 B X T 3>>S+ 0 0 30 -2,-0.4 4,-2.2 1,-0.3 5,-0.7 -0.113 134.8 46.4 41.8 -95.7 -4.0 2.5 -10.1 31 9 B S H 3>5S+ 0 0 94 -2,-0.3 4,-1.1 1,-0.3 -1,-0.3 0.864 129.4 29.3 -39.3 -41.3 -1.6 1.3 -12.8 32 10 B D H <>5S+ 0 0 67 -3,-2.1 4,-2.9 2,-0.2 -1,-0.3 0.844 112.7 66.2 -90.1 -36.0 1.2 1.8 -10.3 33 11 B L H >5S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 3,-0.4 0.967 114.2 30.7 -46.9 -63.3 -1.0 1.1 -7.2 34 12 B V H X5S+ 0 0 50 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.958 115.9 59.1 -63.0 -48.1 -1.5 -2.5 -8.2 35 13 B E H XS+ 0 0 0 -4,-2.2 4,-3.5 1,-0.2 5,-2.0 0.860 111.0 63.6 -52.7 -30.8 1.4 -4.3 -4.4 38 16 B Y H <5S+ 0 0 138 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.975 116.9 25.2 -59.3 -52.5 2.3 -6.7 -7.2 39 17 B L H <5S+ 0 0 141 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.890 127.2 49.3 -79.5 -38.9 6.0 -6.3 -6.6 40 18 B V H <5S+ 0 0 15 -4,-4.4 -3,-0.2 -5,-0.2 -2,-0.2 0.938 138.6 4.0 -66.0 -43.8 5.5 -5.4 -2.9 41 19 B c T ><5S+ 0 0 2 -4,-3.5 3,-0.7 -5,-0.4 2,-0.3 0.811 83.2 167.7-105.7 -66.6 3.2 -8.4 -2.3 42 20 B G G >