==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE PRECURSOR 22-JAN-13 4IUZ . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.AVITAL-SHMILOVICI,K.MANDAL,Z.P.GATES,N.PHILLIPS,M.A.WEISS, . 51 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 68.6 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 . 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 . 2 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 21.6 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 . 1 2.0 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 1 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 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 37 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 166.6 2.8 16.9 10.7 2 2 A I H > + 0 0 0 48,-0.6 4,-2.4 1,-0.2 5,-0.5 0.797 360.0 54.2 -61.5 -33.0 1.4 13.5 9.6 3 3 A V H >>S+ 0 0 39 48,-2.2 5,-2.7 1,-0.2 4,-1.9 0.936 111.6 44.8 -70.8 -40.4 -0.0 14.7 6.3 4 4 A E H 45S+ 0 0 71 47,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.739 117.9 47.7 -71.5 -21.9 3.3 16.2 5.2 5 5 A Q H <5S+ 0 0 51 -4,-1.7 -2,-0.2 3,-0.1 -1,-0.2 0.855 130.8 10.7 -79.9 -38.3 5.0 13.1 6.3 6 6 A a H <5S+ 0 0 0 -4,-2.4 22,-3.0 -5,-0.2 5,-0.5 0.595 129.7 39.2-124.5 -19.2 2.8 10.4 4.8 7 7 A b T <5S+ 0 0 24 -4,-1.9 -3,-0.2 -5,-0.5 -4,-0.1 0.837 128.1 25.0-103.6 -56.3 0.4 11.9 2.3 8 8 A T S > - 0 0 48 -2,-0.3 3,-1.5 1,-0.1 4,-0.6 -0.831 23.0-131.0 -87.4 135.3 7.5 4.5 6.3 13 13 A L H >> S+ 0 0 87 -2,-0.4 3,-1.1 1,-0.3 4,-0.5 0.825 107.5 70.0 -56.5 -24.3 4.8 2.6 8.2 14 14 A Y H >4 S+ 0 0 175 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.842 89.2 59.9 -62.4 -31.6 7.3 2.7 11.0 15 15 A Q H X4 S+ 0 0 66 -3,-1.5 3,-1.5 1,-0.3 -1,-0.3 0.787 91.2 68.9 -69.4 -21.7 6.8 6.4 11.4 16 16 A L H X< S+ 0 0 0 -3,-1.1 3,-2.0 -4,-0.6 4,-0.3 0.751 81.3 75.6 -64.5 -23.4 3.1 5.8 12.1 17 17 A E G X< S+ 0 0 115 -3,-1.2 3,-1.2 -4,-0.5 -1,-0.3 0.784 83.0 68.2 -57.4 -29.2 4.2 4.2 15.5 18 18 A N G < S+ 0 0 133 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.676 96.9 53.8 -62.8 -17.0 4.9 7.8 16.7 19 19 A Y G < S+ 0 0 39 -3,-2.0 28,-2.1 -4,-0.2 -1,-0.2 0.455 81.8 107.7-101.8 -3.7 1.1 8.6 16.7 20 20 A c B < A 46 0A 26 -3,-1.2 26,-0.3 -4,-0.3 25,-0.1 -0.368 360.0 360.0 -69.0 149.7 -0.1 5.6 18.8 21 21 A N 0 0 128 24,-2.6 25,-0.1 20,-0.1 -1,-0.1 0.808 360.0 360.0 -82.3 360.0 -1.3 6.5 22.2 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 0 200 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.6 7.1 -0.1 -1.7 24 2 B V T 3 + 0 0 123 1,-0.3 -14,-0.0 -14,-0.0 0, 0.0 0.837 360.0 42.2 -47.5 -37.2 9.4 2.7 -3.1 25 3 B N T 3 S+ 0 0 115 2,-0.0 2,-0.3 -15,-0.0 -1,-0.3 -0.236 75.2 152.1-115.4 40.5 6.3 4.8 -3.9 26 4 B Q < + 0 0 70 -3,-1.4 -15,-0.7 -15,-0.1 2,-0.3 -0.602 12.0 170.4 -69.2 122.7 3.9 4.5 -0.8 27 5 B H - 0 0 102 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.991 13.7-163.8-133.4 133.0 1.5 7.6 -0.1 28 6 B L + 0 0 33 -22,-3.0 2,-0.3 -19,-0.4 -22,-0.1 -0.943 18.6 163.4-124.6 108.3 -1.3 7.4 2.5 29 7 B b > - 0 0 54 -2,-0.5 3,-1.6 -22,-0.1 4,-0.2 -0.904 49.6 -21.1-125.6 151.9 -4.0 10.1 2.3 30 8 B G T >> S+ 0 0 58 -2,-0.3 4,-1.5 1,-0.3 3,-1.2 -0.176 131.3 2.7 57.7-132.5 -7.5 10.4 3.7 31 9 B S H 3> S+ 0 0 81 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.790 129.3 62.5 -59.7 -30.1 -9.2 7.1 4.8 32 10 B D H <> S+ 0 0 85 -3,-1.6 4,-2.3 2,-0.2 -1,-0.3 0.866 101.8 51.5 -59.4 -37.1 -6.0 5.2 3.8 33 11 B L H <> S+ 0 0 9 -3,-1.2 4,-2.4 -4,-0.2 5,-0.2 0.888 110.5 47.9 -69.7 -40.7 -4.0 7.1 6.5 34 12 B V H X S+ 0 0 71 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.940 112.4 49.6 -64.8 -43.2 -6.7 6.2 9.1 35 13 B E H X S+ 0 0 115 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.928 111.7 47.5 -58.6 -47.0 -6.6 2.6 8.1 36 14 B A H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.910 111.0 51.5 -67.0 -39.2 -2.8 2.4 8.2 37 15 B L H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.929 110.9 49.2 -60.3 -41.9 -2.7 4.1 11.7 38 16 B Y H X S+ 0 0 133 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 110.4 49.4 -68.3 -37.8 -5.3 1.6 13.0 39 17 B L H < S+ 0 0 153 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 117.0 41.4 -69.4 -34.4 -3.4 -1.4 11.7 40 18 B V H < S+ 0 0 51 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.924 121.9 38.9 -74.9 -43.0 -0.1 -0.1 13.2 41 19 B c H >< S- 0 0 6 -4,-3.1 3,-1.4 -5,-0.2 -3,-0.2 0.720 84.8-166.4 -88.5 -18.6 -1.5 1.0 16.6 42 20 B G G >< - 0 0 33 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 -0.368 67.1 -25.9 73.2-142.1 -4.1 -1.8 17.3 43 21 B E G 3 S+ 0 0 182 1,-0.2 -1,-0.2 -4,-0.1 3,-0.1 0.282 115.4 94.5 -95.2 18.7 -6.5 -0.9 20.0 44 22 B R G < S- 0 0 169 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.764 87.8-136.4 -61.2 -28.2 -4.1 1.5 21.8 45 23 B G < - 0 0 30 -3,-0.8 -24,-2.6 -7,-0.1 2,-0.3 -0.174 18.0-139.4 80.9 172.2 -5.8 4.2 19.8 46 24 B F B -A 20 0A 60 -26,-0.3 2,-0.3 -25,-0.1 -26,-0.2 -0.979 17.0-177.5-161.5 162.6 -4.0 7.1 18.0 47 25 B F - 0 0 116 -28,-2.1 2,-0.4 -2,-0.3 -2,-0.0 -0.984 14.0-151.6-161.0 162.3 -4.2 10.8 17.4 48 26 B Y - 0 0 99 -2,-0.3 -29,-0.0 1,-0.1 -2,-0.0 -0.995 11.0-149.4-140.8 143.8 -2.4 13.6 15.6 49 27 B T S S+ 0 0 122 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.838 79.6 4.0 -86.9 -35.4 -2.6 17.2 16.7 50 28 B K - 0 0 137 1,-0.1 -48,-0.6 2,-0.1 -1,-0.3 -0.974 62.5-131.4-149.2 143.9 -2.3 19.0 13.4 51 29 B P 0 0 70 0, 0.0 -48,-2.2 0, 0.0 -47,-0.9 0.850 360.0 360.0 -62.7 -35.1 -2.2 17.7 9.8 52 30 B T 0 0 101 -49,-0.2 -2,-0.1 -50,-0.2 -3,-0.0 0.589 360.0 360.0-146.5 360.0 0.8 19.8 8.9