==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 21-DEC-07 3BRR . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.T.MAGIS,K.BAILEY,J.A.HERNANDEZ-PRADA,K.BUSCHARD,D.A.OSTROV . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 65.7 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 . 12 11.8 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.9 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 2 1 0 1 0 0 0 2 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 . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 57 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-164.2 19.6 0.2 -13.3 2 2 A I H > + 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.833 360.0 58.1 -50.5 -36.9 17.4 -1.8 -10.9 3 3 A V H > S+ 0 0 16 46,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.956 115.6 36.7 -71.0 -40.9 14.5 0.7 -10.8 4 4 A E H >>S+ 0 0 62 -3,-0.2 4,-3.4 2,-0.2 5,-0.6 0.858 115.0 53.7 -71.1 -47.6 14.1 0.4 -14.5 5 5 A Q H X5S+ 0 0 66 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.921 109.3 49.4 -58.6 -45.0 14.9 -3.3 -14.8 6 6 A a H <5S+ 0 0 0 -4,-2.6 22,-2.4 -5,-0.2 5,-0.3 0.813 121.5 34.5 -59.7 -36.3 12.2 -4.3 -12.2 7 7 A b H <5S+ 0 0 42 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.903 128.0 32.8 -89.9 -49.7 9.6 -2.2 -13.9 8 8 A T H <5S+ 0 0 128 -4,-3.4 2,-0.2 -5,-0.1 -3,-0.2 0.804 138.1 8.9 -78.2 -30.7 10.4 -2.5 -17.6 9 9 A S S < - 0 0 22 -2,-0.3 4,-1.7 13,-0.2 13,-0.1 -0.597 24.3-119.2 -97.3 161.1 14.5 -11.1 -8.4 13 13 A L H > S+ 0 0 42 11,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.827 118.0 59.6 -66.0 -27.9 14.4 -10.4 -4.6 14 14 A Y H 4 S+ 0 0 129 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.909 103.9 48.0 -67.6 -41.3 18.0 -11.5 -4.8 15 15 A Q H >4 S+ 0 0 74 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.881 108.4 55.7 -61.3 -36.7 18.9 -8.7 -7.2 16 16 A L H >< S+ 0 0 1 -4,-1.7 3,-2.2 1,-0.3 -2,-0.2 0.821 93.2 70.0 -66.6 -31.7 17.0 -6.2 -4.9 17 17 A E G >< S+ 0 0 103 -4,-1.4 3,-1.5 1,-0.3 -1,-0.3 0.702 81.8 74.1 -57.5 -24.3 19.2 -7.3 -2.0 18 18 A N G < S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.584 92.3 56.7 -64.3 -10.5 22.1 -5.5 -3.7 19 19 A Y G < S+ 0 0 82 -3,-2.2 28,-1.9 -4,-0.1 -1,-0.3 0.316 82.0 107.9-107.6 -2.0 20.5 -2.2 -2.7 20 20 A c B < B 46 0B 25 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.447 360.0 360.0 -68.9 152.6 20.4 -2.9 1.0 21 21 A N 0 0 84 24,-2.7 24,-0.2 80,-0.2 25,-0.1 0.717 360.0 360.0 -77.6 360.0 22.8 -1.0 3.2 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 0 181 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 12.8 11.8 -15.6 -4.4 24 2 B V - 0 0 95 1,-0.1 -11,-0.4 -13,-0.0 2,-0.1 -0.749 360.0 -95.0 -95.3 159.2 9.8 -15.7 -7.5 25 3 B N - 0 0 97 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.376 46.5-155.5 -66.1 158.4 10.7 -13.0 -10.0 26 4 B Q B -A 11 0A 99 -15,-2.6 -15,-1.8 -2,-0.1 2,-0.6 -0.939 22.5-134.6-139.7 158.9 8.5 -9.9 -9.8 27 5 B H - 0 0 125 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.971 37.6-177.9-111.1 110.3 7.4 -7.0 -12.0 28 6 B L + 0 0 20 -22,-2.4 2,-0.3 -2,-0.6 -20,-0.1 -0.928 8.0 168.1-132.8 111.2 7.8 -3.9 -9.7 29 7 B b > - 0 0 43 -2,-0.5 3,-1.4 -22,-0.1 4,-0.3 -0.833 50.0 -21.6-124.6 152.3 7.0 -0.4 -10.7 30 8 B G T >> S- 0 0 28 -2,-0.3 3,-1.2 1,-0.3 4,-0.9 -0.187 127.9 -3.5 56.5-138.3 6.6 2.9 -8.8 31 9 B S H 3> S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.779 126.0 69.7 -56.4 -34.2 6.0 2.6 -5.1 32 10 B H H <> S+ 0 0 113 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.842 94.3 56.5 -57.5 -33.9 5.8 -1.2 -5.3 33 11 B L H <> S+ 0 0 2 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.2 0.937 109.8 43.8 -63.9 -47.4 9.5 -1.3 -6.0 34 12 B V H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.889 110.2 54.9 -73.2 -32.2 10.4 0.6 -2.8 35 13 B E H X S+ 0 0 58 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.924 108.6 50.7 -58.3 -37.6 7.9 -1.4 -0.8 36 14 B A H X S+ 0 0 15 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.923 109.1 50.0 -65.4 -42.7 9.8 -4.5 -2.1 37 15 B L H X>S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.6 0.878 107.5 54.9 -55.0 -43.6 13.1 -2.9 -1.0 38 16 B Y H X5S+ 0 0 65 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.926 112.6 42.3 -62.3 -40.8 11.6 -2.2 2.4 39 17 B L H <5S+ 0 0 139 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 117.8 45.2 -69.5 -45.7 10.7 -5.9 2.8 40 18 B V H <5S+ 0 0 37 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.845 130.3 21.0 -66.0 -38.9 13.9 -7.3 1.4 41 19 B c H ><5S+ 0 0 7 -4,-2.7 3,-1.9 -5,-0.2 -3,-0.2 0.822 80.4 154.1-100.2 -46.9 16.3 -4.9 3.3 42 20 B G G >< 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-154.3 17.1 9.1 12.9 55 2 C I H > + 0 0 5 47,-0.5 4,-1.2 2,-0.2 5,-0.2 0.865 360.0 47.7 -48.5 -46.8 14.3 9.2 10.3 56 3 C V H >>>S+ 0 0 30 46,-0.3 4,-2.3 2,-0.2 5,-1.1 0.948 111.5 49.4 -59.9 -54.4 12.5 6.5 12.2 57 4 C E H 345S+ 0 0 86 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.887 113.9 48.2 -44.8 -43.1 13.0 8.4 15.5 58 5 C Q H 3<5S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.2 0.692 126.5 20.3 -78.3 -22.6 11.7 11.5 13.6 59 6 C d H <<5S+ 0 0 2 -4,-1.2 22,-2.4 -3,-0.8 5,-0.2 0.688 121.8 41.3-121.9 -35.6 8.5 9.9 12.0 60 7 C e T <5S+ 0 0 49 -4,-2.3 -3,-0.2 -5,-0.2 22,-0.1 0.926 126.7 29.7 -85.6 -54.4 7.3 6.7 13.7 61 8 C T S - 0 0 12 -2,-0.3 4,-2.0 13,-0.2 13,-0.2 -0.514 24.5-120.4 -91.8 159.1 6.6 16.9 8.0 66 13 C L H > S+ 0 0 37 11,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.827 116.6 58.6 -64.2 -29.5 7.0 16.2 4.2 67 14 C Y H 4 S+ 0 0 162 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.884 105.8 47.2 -65.6 -41.7 9.6 19.0 4.2 68 15 C Q H >4 S+ 0 0 70 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.887 108.0 55.7 -63.9 -38.7 11.7 17.1 6.8 69 16 C L H >< S+ 0 0 1 -4,-2.0 3,-1.9 1,-0.3 -2,-0.2 0.850 95.7 67.8 -62.1 -29.1 11.2 13.9 4.7 70 17 C E G >< S+ 0 0 83 -4,-1.5 3,-1.4 1,-0.3 -1,-0.3 0.697 83.4 74.1 -59.5 -22.6 12.8 16.0 1.9 71 18 C N G < S+ 0 0 117 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.718 92.5 54.3 -66.9 -20.5 16.0 15.9 3.9 72 19 C Y G < S+ 0 0 39 -3,-1.9 28,-1.8 -4,-0.3 -1,-0.3 0.258 82.0 109.8-100.1 13.1 16.5 12.2 2.9 73 20 C f B < D 99 0B 14 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.578 360.0 360.0 -79.3 151.3 16.2 12.7 -0.9 74 21 C N 0 0 83 24,-1.8 25,-0.2 -26,-0.2 -1,-0.1 0.387 360.0 360.0 -78.7 360.0 19.4 12.2 -2.9 75 !* 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 76 1 D F 0 0 199 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 149.2 1.0 19.6 3.7 77 2 D V - 0 0 95 -13,-0.1 2,-0.6 -12,-0.0 -11,-0.4 -0.741 360.0 -90.7-136.5-175.9 1.0 18.5 7.4 78 3 D N + 0 0 80 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.899 45.2 166.0-110.1 112.3 2.8 16.2 9.8 79 4 D Q B -E 64 0C 119 -15,-0.8 -15,-0.8 -2,-0.6 2,-0.5 -0.715 44.6 -85.6-116.3 169.2 1.4 12.7 10.4 80 5 D H - 0 0 111 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.2 -0.636 43.1-170.0 -79.9 123.8 2.7 9.6 12.0 81 6 D L + 0 0 13 -22,-2.4 2,-0.3 -2,-0.5 -19,-0.2 -0.963 10.5 167.8-119.4 123.5 4.7 7.4 9.5 82 7 D e > - 0 0 49 -2,-0.5 3,-1.5 -22,-0.1 4,-0.2 -0.977 48.6 -26.1-135.2 147.7 5.9 3.9 10.4 83 8 D G T >> S- 0 0 23 -2,-0.3 3,-1.4 1,-0.3 4,-1.3 -0.197 127.6 -0.6 55.5-133.7 7.3 0.9 8.4 84 9 D S H 3> S+ 0 0 35 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.786 126.9 68.3 -61.6 -26.2 6.5 0.7 4.8 85 10 D H H <> S+ 0 0 117 -3,-1.5 4,-1.7 2,-0.2 -1,-0.3 0.850 97.2 52.5 -61.0 -31.9 4.4 3.9 5.1 86 11 D L H <> S+ 0 0 2 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.936 109.6 47.8 -71.7 -47.4 7.6 5.9 5.7 87 12 D V H X S+ 0 0 0 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.899 110.4 52.1 -58.6 -37.4 9.2 4.6 2.6 88 13 D E H X S+ 0 0 57 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.878 109.0 50.3 -69.2 -31.6 6.1 5.3 0.5 89 14 D A H X S+ 0 0 13 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.928 109.7 50.6 -70.6 -38.9 6.1 8.9 1.7 90 15 D L H X>S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.5 0.922 108.9 52.5 -60.0 -41.7 9.8 9.2 0.8 91 16 D Y H X5S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.927 111.6 46.1 -60.7 -46.4 9.0 7.8 -2.6 92 17 D L H <5S+ 0 0 143 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.915 118.2 41.2 -60.9 -46.0 6.2 10.5 -3.0 93 18 D V H <5S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.842 129.2 26.4 -70.4 -42.8 8.3 13.4 -1.8 94 19 D f H ><5S+ 0 0 7 -4,-3.1 3,-2.1 -5,-0.2 4,-0.2 0.814 78.2 152.9 -94.7 -39.4 11.6 12.5 -3.6 95 20 D G G ><