==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 10-OCT-11 3U4N . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.NORRMAN,T.N.VINTHER . 50 2 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3423.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 60.0 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 . 2 4.0 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 6.0 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 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 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 52 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-167.3 6.0 -11.1 -26.1 2 2 A I H >> + 0 0 1 47,-0.3 4,-2.6 1,-0.2 5,-0.5 0.833 360.0 56.2 -58.8 -34.3 2.7 -10.4 -24.2 3 3 A V H >>S+ 0 0 40 2,-0.2 5,-2.6 1,-0.2 4,-2.2 0.944 110.7 45.4 -66.6 -47.7 0.4 -10.5 -27.1 4 4 A E H 45S+ 0 0 138 3,-0.2 5,-0.3 1,-0.2 -1,-0.2 0.868 119.1 42.7 -52.7 -47.8 1.6 -14.0 -28.0 5 5 A Q H <5S+ 0 0 54 -4,-2.1 -2,-0.2 3,-0.1 -1,-0.2 0.786 132.7 15.1 -73.1 -33.8 1.4 -15.1 -24.4 6 6 A a H <>S+ 0 0 0 -4,-2.6 22,-3.3 -5,-0.2 5,-0.6 0.643 128.8 36.5-127.5 -21.0 -2.0 -13.5 -23.4 7 7 A b T < - 0 0 29 13,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.993 30.7-119.7-151.3 155.4 -1.9 -16.4 -17.0 13 13 A L H > S+ 0 0 81 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.921 113.9 58.2 -54.2 -46.6 -1.1 -14.6 -13.7 14 14 A Y H > S+ 0 0 175 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.918 112.0 39.7 -49.7 -52.1 2.4 -15.9 -13.9 15 15 A Q H > S+ 0 0 55 2,-0.2 4,-0.5 1,-0.2 3,-0.4 0.887 113.8 51.7 -70.7 -38.5 3.0 -14.3 -17.3 16 16 A L H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 4,-0.4 0.940 104.1 58.2 -65.2 -41.4 1.2 -11.0 -16.6 17 17 A E H >< S+ 0 0 86 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.769 90.7 70.5 -64.9 -26.8 3.1 -10.4 -13.5 18 18 A N H 3< S+ 0 0 109 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.796 96.6 55.2 -52.5 -32.7 6.4 -10.5 -15.4 19 19 A Y T << S+ 0 0 50 -3,-2.2 28,-1.8 -4,-0.5 -1,-0.2 0.606 82.4 104.9 -86.2 -5.6 5.3 -7.1 -16.9 20 20 A c B < A 46 0A 15 -3,-1.1 26,-0.3 -4,-0.4 25,-0.1 -0.355 360.0 360.0 -66.1 148.8 4.7 -5.3 -13.7 21 21 A N 0 0 139 24,-1.3 -1,-0.1 23,-0.1 24,-0.1 -0.341 360.0 360.0 -73.7 360.0 7.5 -2.8 -12.8 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 0 127 0, 0.0 3,-0.2 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 -19.3 -10.1 -12.4 -15.1 24 2 B V + 0 0 14 1,-0.2 2,-1.5 12,-0.1 -13,-0.1 0.748 360.0 76.6 -86.8 -17.3 -6.5 -13.5 -15.9 25 3 B N S S+ 0 0 120 -15,-0.1 2,-0.3 -13,-0.1 -1,-0.2 -0.441 87.0 62.0 -96.5 60.2 -7.1 -17.0 -17.3 26 4 B Q S S- 0 0 96 -2,-1.5 -15,-2.5 -3,-0.2 2,-0.4 -0.900 99.7 -62.4-160.1 176.4 -8.5 -16.2 -20.7 27 5 B H - 0 0 106 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.731 52.1-170.7 -75.8 128.0 -7.5 -14.4 -24.0 28 6 B L + 0 0 8 -22,-3.3 2,-0.3 -2,-0.4 -20,-0.1 -0.969 11.0 168.3-127.2 110.8 -6.9 -10.8 -23.2 29 7 B b > - 0 0 51 -2,-0.5 3,-1.9 -22,-0.1 4,-0.3 -0.894 46.1 -19.9-126.8 155.0 -6.4 -8.4 -26.1 30 8 B G T >> S- 0 0 38 -2,-0.3 4,-1.7 1,-0.3 3,-0.7 -0.246 130.8 -1.4 56.1-131.5 -6.2 -4.7 -26.5 31 9 B S H 3> S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.754 131.9 62.7 -63.1 -23.6 -7.8 -2.7 -23.8 32 10 B H H <> S+ 0 0 118 -3,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.874 105.4 46.3 -71.6 -36.6 -8.8 -5.9 -22.0 33 11 B L H <> S+ 0 0 0 -3,-0.7 4,-2.7 -4,-0.3 -2,-0.2 0.911 112.3 48.8 -63.7 -50.5 -5.0 -6.8 -21.7 34 12 B V H X S+ 0 0 52 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.913 111.1 51.0 -59.5 -43.8 -4.1 -3.3 -20.4 35 13 B E H X S+ 0 0 117 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 110.0 49.2 -62.5 -42.0 -6.9 -3.5 -17.9 36 14 B A H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.933 111.6 50.5 -59.1 -48.7 -5.7 -7.0 -16.6 37 15 B L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.916 111.2 48.9 -53.4 -46.2 -2.1 -5.5 -16.3 38 16 B Y H X S+ 0 0 156 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.926 112.8 45.9 -63.0 -45.8 -3.5 -2.6 -14.3 39 17 B L H < S+ 0 0 95 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.884 118.2 42.6 -67.2 -36.2 -5.5 -4.8 -11.9 40 18 B V H < S+ 0 0 22 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.912 118.7 41.5 -75.4 -43.3 -2.6 -7.2 -11.3 41 19 B c H >< S+ 0 0 4 -4,-2.5 3,-2.1 -5,-0.2 4,-0.2 0.682 81.3 175.5 -81.9 -21.1 0.2 -4.8 -11.0 42 20 B G G >< S- 0 0 40 -4,-1.6 3,-1.2 -5,-0.3 -1,-0.2 -0.202 70.1 -4.3 52.3-127.5 -1.6 -2.2 -8.9 43 21 B E G 3 S+ 0 0 204 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.541 122.8 75.6 -80.7 -3.2 0.7 0.6 -7.9 44 22 B R G < S- 0 0 112 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.758 86.8-154.8 -61.8 -35.6 3.7 -1.0 -9.4 45 23 B G < - 0 0 27 -3,-1.2 -24,-1.3 -4,-0.2 2,-0.3 -0.341 10.0-139.9 77.1-167.3 2.6 -0.0 -12.8 46 24 B F B -A 20 0A 58 -26,-0.3 2,-0.4 -2,-0.1 -26,-0.2 -0.968 11.4-104.0-170.1 175.0 3.8 -2.0 -15.9 47 25 B C - 0 0 74 -28,-1.8 2,-0.5 -2,-0.3 -2,-0.0 -0.971 21.0-165.5-116.3 135.0 5.0 -2.1 -19.4 48 26 B Y + 0 0 83 -2,-0.4 -2,-0.0 -46,-0.0 -14,-0.0 -0.986 16.9 175.1-121.3 107.5 2.6 -3.2 -22.4 49 27 B T - 0 0 90 -2,-0.5 -47,-0.3 1,-0.1 -46,-0.2 -0.682 13.6-168.0-130.6 87.1 4.8 -3.9 -25.4 50 28 B P 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -47,-0.1 0.460 360.0 360.0 -61.8 -16.8 3.1 -5.3 -28.4 51 29 B K 0 0 145 -48,-0.1 -2,-0.1 -49,-0.0 0, 0.0 0.564 360.0 360.0-156.4 360.0 5.7 -6.5 -30.8