==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 15-FEB-96 1BEN . COMPND 2 MOLECULE: HUMAN INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR G.D.SMITH,E.CISZAK,W.PANGBORN . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 66.0 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 . 8 8.0 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 . 6 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 2 2 0 0 0 0 0 1 0 0 0 0 1 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 . 2 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 31 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-172.4 -0.7 20.1 -11.9 2 2 A I H > + 0 0 2 47,-0.4 4,-2.8 1,-0.2 5,-0.4 0.803 360.0 54.0 -58.7 -36.7 0.8 17.1 -10.1 3 3 A V H >>S+ 0 0 32 46,-0.2 5,-2.8 2,-0.2 4,-2.4 0.952 110.0 46.7 -64.2 -48.8 -0.6 14.4 -12.3 4 4 A E H 4>S+ 0 0 83 3,-0.2 5,-1.3 1,-0.2 -2,-0.2 0.929 120.6 38.6 -59.3 -44.9 0.7 15.8 -15.5 5 5 A Q H <5S+ 0 0 69 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.862 130.6 22.7 -74.6 -40.5 4.2 16.4 -14.0 6 6 A a H <5S+ 0 0 0 -4,-2.8 22,-2.6 -5,-0.2 5,-0.4 0.612 131.7 29.2-108.4 -16.8 4.7 13.3 -11.9 7 7 A b T <5S+ 0 0 26 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.810 127.6 36.1-109.1 -52.4 2.4 10.6 -13.2 8 8 A T T - 0 0 46 -2,-0.4 4,-2.0 1,-0.1 3,-0.2 -0.349 37.9-102.1 -82.6 167.0 12.4 14.7 -9.6 13 13 A L H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.882 124.2 55.6 -56.4 -40.2 12.3 14.9 -5.8 14 14 A Y H 4 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.867 106.2 48.8 -61.1 -40.2 12.5 18.7 -6.1 15 15 A Q H >4 S+ 0 0 76 -3,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.840 108.5 53.7 -70.7 -34.0 9.4 18.9 -8.3 16 16 A L H >< S+ 0 0 1 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.881 101.0 61.5 -66.1 -34.0 7.5 16.7 -6.0 17 17 A E G >< S+ 0 0 78 -4,-1.7 3,-1.4 1,-0.3 -1,-0.2 0.664 83.6 77.6 -66.2 -15.9 8.3 19.0 -3.1 18 18 A N G < S+ 0 0 107 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.601 91.1 57.1 -68.3 -12.3 6.5 21.8 -4.9 19 19 A Y G < S+ 0 0 28 -3,-1.9 28,-2.3 -4,-0.1 -1,-0.2 0.328 83.7 104.5-102.7 10.0 3.3 20.2 -3.6 20 20 A c B < A 46 0A 9 -3,-1.4 26,-0.3 26,-0.2 25,-0.1 -0.520 360.0 360.0 -82.3 157.2 4.2 20.3 0.1 21 21 A N 0 0 83 24,-2.1 -1,-0.1 80,-0.2 24,-0.1 -0.108 360.0 360.0 -85.8 360.0 2.5 22.9 2.3 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 0 130 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.0 14.9 8.9 -5.0 24 2 B V - 0 0 69 1,-0.1 2,-0.6 -12,-0.1 -11,-0.0 -0.205 360.0-147.8 -60.9 146.5 13.1 6.7 -7.5 25 3 B N + 0 0 123 2,-0.1 2,-0.3 -15,-0.1 -1,-0.1 -0.819 56.0 109.4-118.7 83.6 12.9 8.0 -11.1 26 4 B Q S S- 0 0 93 -2,-0.6 -15,-0.5 -15,-0.3 2,-0.4 -0.954 78.5 -80.9-149.2 165.4 9.5 6.5 -12.2 27 5 B H - 0 0 96 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.676 44.5-157.9 -72.3 130.8 6.0 7.5 -13.0 28 6 B L + 0 0 14 -22,-2.6 2,-0.3 -2,-0.4 -19,-0.1 -0.966 22.2 165.5-117.0 111.7 4.2 8.0 -9.7 29 7 B b > - 0 0 47 -2,-0.6 3,-1.4 -22,-0.1 4,-0.4 -0.911 40.2 -14.8-129.5 160.6 0.4 7.7 -10.0 30 8 B G T >> S- 0 0 17 -2,-0.3 4,-1.8 1,-0.3 3,-0.7 -0.154 126.5 -4.0 52.0-132.3 -2.6 7.2 -7.9 31 9 B S H 3> S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.821 132.4 61.5 -63.3 -28.5 -2.1 6.1 -4.3 32 10 B H H <> S+ 0 0 128 -3,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.881 103.3 49.6 -65.7 -35.6 1.6 5.7 -4.9 33 11 B L H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 -2,-0.2 0.923 110.7 49.6 -67.8 -44.0 1.9 9.4 -5.7 34 12 B V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.930 111.2 49.4 -61.0 -40.8 -0.0 10.3 -2.5 35 13 B E H X S+ 0 0 36 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.914 108.2 54.1 -66.3 -37.8 2.3 8.0 -0.5 36 14 B A H X S+ 0 0 9 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.938 109.6 47.9 -61.1 -45.3 5.4 9.7 -2.0 37 15 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.912 109.0 53.0 -62.5 -38.7 4.0 13.1 -1.0 38 16 B Y H X S+ 0 0 25 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.914 114.3 43.3 -61.5 -39.5 3.4 11.9 2.6 39 17 B L H < S+ 0 0 123 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.935 118.7 41.9 -69.4 -50.5 6.9 10.6 2.8 40 18 B V H < S+ 0 0 29 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.882 116.0 46.1 -68.2 -39.9 8.6 13.7 1.2 41 19 B c H >< S+ 0 0 5 -4,-2.5 3,-1.7 -5,-0.3 4,-0.3 0.689 79.4 174.1 -80.7 -21.0 6.6 16.4 2.9 42 20 B G G >< - 0 0 37 -4,-0.9 3,-1.3 -5,-0.3 -1,-0.2 -0.169 68.7 -3.3 50.0-134.3 6.7 15.1 6.4 43 21 B E G 3 S+ 0 0 182 1,-0.3 -1,-0.3 59,-0.1 3,-0.1 0.709 124.7 72.0 -64.0 -20.2 5.3 17.5 9.0 44 22 B R G < S- 0 0 130 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.824 90.2-153.8 -61.5 -35.7 4.6 20.1 6.4 45 23 B G < - 0 0 2 -3,-1.3 -24,-2.1 -4,-0.3 2,-0.3 -0.261 8.7-124.1 80.0-175.7 1.8 18.1 4.9 46 24 B F E -AB 20 101A 2 55,-2.0 55,-2.9 -26,-0.3 2,-0.4 -0.930 2.7-117.6-157.7 170.9 0.8 18.5 1.3 47 25 B F E - B 0 100A 53 -28,-2.3 2,-0.6 -2,-0.3 53,-0.2 -0.988 15.4-163.0-123.7 135.8 -2.0 19.2 -1.1 48 26 B Y E + B 0 99A 11 51,-3.1 51,-2.2 -2,-0.4 -2,-0.0 -0.903 20.6 160.9-118.0 104.7 -3.3 16.8 -3.7 49 27 B T + 0 0 34 -2,-0.6 -47,-0.4 49,-0.2 -46,-0.2 -0.823 9.8 177.8-130.3 87.0 -5.3 18.5 -6.3 50 28 B P S S+ 0 0 25 0, 0.0 2,-0.8 0, 0.0 -46,-0.1 0.648 74.4 62.7 -66.6 -20.8 -5.6 16.3 -9.5 51 29 B K 0 0 158 45,-0.5 45,-0.0 1,-0.2 0, 0.0 -0.597 360.0 360.0-105.7 64.0 -7.8 18.6 -11.5 52 30 B T 0 0 104 -2,-0.8 -1,-0.2 -3,-0.2 -3,-0.0 -0.070 360.0 360.0-126.6 360.0 -5.2 21.4 -11.6 53 !* 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 54 1 C G > 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 172.5 -8.6 16.3 13.4 55 2 C I H > + 0 0 17 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.867 360.0 51.7 -64.2 -38.9 -8.6 13.4 11.0 56 3 C V H > S+ 0 0 13 1,-0.2 4,-1.2 2,-0.2 5,-0.4 0.944 113.1 43.6 -65.1 -44.4 -5.7 11.8 12.9 57 4 C E H 4 S+ 0 0 111 1,-0.2 4,-0.5 2,-0.2 5,-0.2 0.888 120.8 40.9 -65.5 -39.7 -7.5 12.1 16.2 58 5 C Q H X S+ 0 0 67 -4,-2.4 4,-0.5 1,-0.1 -2,-0.2 0.839 122.2 34.8 -78.1 -36.9 -10.9 10.9 14.9 59 6 C d H < S+ 0 0 14 -4,-2.6 5,-0.4 -5,-0.2 -2,-0.2 0.451 110.5 54.3-110.6 10.0 -9.8 8.1 12.6 60 7 C e T < S+ 0 0 36 -4,-1.2 -3,-0.1 -5,-0.2 -2,-0.1 0.754 113.9 41.2-105.0 -31.3 -6.8 6.4 14.2 61 8 C T T 4 S+ 0 0 114 -4,-0.5 2,-0.3 -5,-0.4 -2,-0.1 0.843 129.5 20.0 -76.3 -51.5 -8.5 5.7 17.5 62 9 C S S < S- 0 0 75 -4,-0.5 2,-0.4 -5,-0.2 -1,-0.1 -0.855 93.9 -95.2-119.7 162.8 -11.9 4.7 16.1 63 10 C I - 0 0 164 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.643 34.9-148.9 -85.3 130.4 -12.8 3.5 12.6 64 11 C d - 0 0 20 -5,-0.4 2,-0.1 -2,-0.4 -5,-0.1 -0.838 9.9-137.3 -99.6 136.1 -14.1 6.2 10.2 65 12 C S > - 0 0 50 -2,-0.4 4,-2.6 1,-0.1 3,-0.3 -0.377 31.9-101.0 -78.3 169.8 -16.6 5.3 7.6 66 13 C L H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.884 124.8 57.0 -58.1 -36.4 -16.4 6.6 4.0 67 14 C Y H 4 S+ 0 0 169 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.860 107.8 45.3 -67.2 -41.0 -19.0 9.2 5.0 68 15 C Q H >4 S+ 0 0 70 -3,-0.3 3,-1.0 1,-0.2 4,-0.3 0.864 111.1 54.1 -70.9 -35.1 -16.9 10.6 7.8 69 16 C L H >< S+ 0 0 16 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.846 95.5 66.9 -66.8 -33.0 -13.8 10.6 5.6 70 17 C E G >< S+ 0 0 75 -4,-1.8 3,-1.6 1,-0.3 -1,-0.2 0.748 84.7 73.6 -59.0 -23.9 -15.6 12.7 2.9 71 18 C N G < S+ 0 0 123 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.730 94.5 54.0 -61.2 -22.2 -15.6 15.6 5.5 72 19 C Y G < S+ 0 0 70 -3,-2.0 28,-0.6 -4,-0.3 -1,-0.3 0.491 86.6 100.2 -95.7 -2.6 -11.9 16.0 4.8 73 20 C f B < C 99 0A 14 -3,-1.6 26,-0.2 -4,-0.2 25,-0.1 -0.439 360.0 360.0 -75.3 158.2 -12.1 16.3 1.0 74 21 C N 0 0 94 24,-2.2 25,-0.1 -2,-0.1 -1,-0.1 0.846 360.0 360.0 -68.1 360.0 -11.9 19.6 -0.8 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 0 218 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.6 0.8 4.5 22.0 77 2 D V - 0 0 70 1,-0.1 2,-1.4 4,-0.0 3,-0.1 -0.769 360.0-135.0 -85.3 117.8 -1.3 5.0 18.9 78 3 D N > + 0 0 68 -2,-0.6 4,-2.2 1,-0.2 3,-0.2 -0.663 28.0 178.3 -80.1 92.7 1.3 5.3 16.0 79 4 D Q H > S+ 0 0 93 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.748 73.8 61.2 -69.1 -31.6 -0.3 8.2 14.2 80 5 D H H > S+ 0 0 110 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.882 109.0 41.3 -61.9 -46.1 2.5 8.3 11.6 81 6 D L H > S+ 0 0 109 2,-0.2 4,-1.2 1,-0.2 3,-0.2 0.908 114.3 53.7 -67.3 -39.4 1.7 4.8 10.4 82 7 D e H >X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 3,-0.7 0.937 102.7 57.5 -58.7 -44.0 -2.0 5.6 10.7 83 8 D G H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 5,-0.3 0.856 99.2 60.1 -55.2 -36.3 -1.6 8.7 8.5 84 9 D S H 3X S+ 0 0 32 -4,-1.2 4,-1.1 -3,-0.2 -1,-0.3 0.924 109.0 42.4 -59.8 -44.3 -0.1 6.6 5.7 85 10 D H H S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 5,-0.5 0.865 103.7 59.7 -67.3 -34.2 -8.6 9.9 1.1 91 16 D Y H X5S+ 0 0 70 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.968 112.1 39.3 -55.2 -50.1 -7.2 9.3 -2.3 92 17 D L H <5S+ 0 0 136 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.941 120.4 43.9 -66.3 -46.2 -10.1 6.9 -3.0 93 18 D V H <5S+ 0 0 28 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.894 119.2 39.0 -71.0 -44.5 -12.8 8.8 -1.2 94 19 D f H ><5S+ 0 0 3 -4,-2.7 3,-2.0 -5,-0.2 4,-0.4 0.757 79.4 165.1 -78.4 -32.6 -12.1 12.3 -2.5 95 20 D G G ><