==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 13-DEC-12 4IDW . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.MARGIOLAKI,A.E.GIANNOPOULOU,J.P.WRIGHT,L.KNIGHT,M.NORRMAN, . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 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 . 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 . 17 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 3 0 1 0 0 1 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 . 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 66 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-167.9 -10.0 16.9 13.0 2 2 A I H > + 0 0 13 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.936 360.0 50.5 -62.0 -43.1 -10.4 14.0 10.5 3 3 A V H > S+ 0 0 19 46,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.901 118.5 39.9 -62.6 -42.5 -6.8 12.8 10.7 4 4 A E H >> S+ 0 0 51 2,-0.2 4,-1.6 1,-0.2 3,-0.9 0.955 118.1 46.8 -71.9 -48.3 -7.1 12.7 14.5 5 5 A Q H 3X S+ 0 0 91 -4,-3.6 4,-2.0 1,-0.3 3,-0.3 0.882 113.1 47.5 -68.4 -43.5 -10.7 11.3 14.6 6 6 A a H 3< S+ 0 0 0 -4,-3.6 22,-2.2 -5,-0.2 -1,-0.3 0.676 122.9 38.7 -65.0 -19.0 -10.1 8.6 12.0 7 7 A b H << S+ 0 0 57 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.454 123.8 35.5-111.2 -15.6 -7.0 7.7 14.0 8 8 A A H < S- 0 0 94 -4,-1.6 -3,-0.2 -3,-0.3 -2,-0.2 0.701 137.9 -2.7-103.2 -39.1 -8.1 8.2 17.6 9 9 A S S < S- 0 0 75 -4,-2.0 2,-0.4 -5,-0.4 19,-0.3 -0.322 95.5 -73.4-124.8-157.8 -11.6 6.9 17.0 10 10 A V - 0 0 55 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.886 38.7-169.7-106.5 147.2 -13.5 5.7 13.8 11 11 A a B -A 26 0A 3 15,-2.3 15,-2.1 -2,-0.4 2,-0.3 -0.858 16.1-127.2-125.3 163.7 -14.9 7.8 10.9 12 12 A S >> - 0 0 25 -2,-0.3 4,-1.0 13,-0.2 3,-0.5 -0.800 25.3-112.7-109.5 159.2 -17.2 7.0 8.0 13 13 A L H 3> S+ 0 0 47 11,-0.4 4,-1.7 -2,-0.3 3,-0.5 0.839 116.2 63.0 -60.4 -32.7 -16.6 7.6 4.2 14 14 A Y H 3> S+ 0 0 147 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.948 101.4 51.3 -56.5 -42.5 -19.5 10.2 4.2 15 15 A Q H <4 S+ 0 0 65 -3,-0.5 3,-0.4 1,-0.2 4,-0.3 0.790 105.2 57.6 -63.1 -30.2 -17.3 12.2 6.6 16 16 A L H >< S+ 0 0 2 -4,-1.0 3,-2.0 -3,-0.5 -1,-0.2 0.896 92.3 67.0 -71.8 -34.2 -14.4 11.9 4.1 17 17 A E H >< S+ 0 0 100 -4,-1.7 3,-2.1 -3,-0.5 -1,-0.2 0.827 87.0 71.9 -55.6 -27.6 -16.4 13.5 1.3 18 18 A N T 3< S+ 0 0 125 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.743 98.2 47.1 -61.6 -28.9 -16.3 16.8 3.3 19 19 A Y T < S+ 0 0 79 -3,-2.0 28,-1.6 -4,-0.3 -1,-0.3 0.233 88.1 103.5 -99.5 1.2 -12.6 17.2 2.5 20 20 A c B < B 46 0B 11 -3,-2.1 26,-0.2 26,-0.2 25,-0.1 -0.629 360.0 360.0 -76.4 151.6 -12.9 16.4 -1.3 21 21 A N 0 0 98 24,-1.6 -2,-0.1 -2,-0.2 -3,-0.0 -0.758 360.0 360.0 -90.0 360.0 -12.7 19.6 -3.5 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 0 194 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 153.2 -20.6 1.4 4.0 24 2 B V - 0 0 102 -13,-0.0 2,-0.5 1,-0.0 -11,-0.4 -0.778 360.0-102.7-112.2 152.2 -18.7 0.6 7.3 25 3 B N - 0 0 112 -2,-0.3 2,-0.4 -13,-0.1 -13,-0.2 -0.607 43.1-157.5 -75.0 121.4 -17.0 2.7 9.9 26 4 B Q B -A 11 0A 89 -15,-2.1 -15,-2.3 -2,-0.5 2,-0.7 -0.809 20.2-142.8-111.7 136.8 -13.2 2.6 9.5 27 5 B H - 0 0 122 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.898 33.4-177.1 -87.3 111.9 -10.2 3.2 11.8 28 6 B L + 0 0 29 -22,-2.2 2,-0.4 -2,-0.7 -20,-0.1 -0.942 12.2 163.7-124.8 126.1 -7.7 4.9 9.5 29 7 B b > - 0 0 35 -2,-0.5 3,-0.5 -22,-0.1 2,-0.1 -0.973 46.7 -12.3-139.5 129.7 -4.2 6.0 10.5 30 8 B G T >> S- 0 0 21 -2,-0.4 3,-1.1 1,-0.2 4,-1.0 -0.277 114.1 -20.3 100.6-155.3 -1.2 7.0 8.3 31 9 B S H 3> S+ 0 0 37 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.738 129.6 71.1 -61.1 -22.9 -0.4 6.7 4.6 32 10 B H H <> S+ 0 0 136 -3,-0.5 4,-1.0 1,-0.2 -1,-0.3 0.916 96.0 50.3 -62.6 -41.6 -3.1 4.1 4.8 33 11 B L H <> S+ 0 0 0 -3,-1.1 4,-2.2 2,-0.2 3,-0.3 0.891 100.3 58.7 -59.1 -54.6 -5.7 6.9 5.2 34 12 B V H X S+ 0 0 0 -4,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.850 100.3 61.1 -52.0 -29.9 -4.7 9.1 2.3 35 13 B E H X S+ 0 0 49 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.966 104.4 46.9 -57.7 -48.9 -5.4 6.0 0.1 36 14 B A H X S+ 0 0 12 -4,-1.0 4,-3.7 -3,-0.3 5,-0.3 0.907 108.2 56.8 -63.6 -32.9 -9.0 6.2 1.4 37 15 B L H X S+ 0 0 3 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.949 112.4 41.3 -60.2 -45.5 -8.9 9.9 0.6 38 16 B Y H < S+ 0 0 64 -4,-2.8 -1,-0.2 3,-0.2 -2,-0.2 0.844 116.6 48.6 -64.5 -43.5 -8.0 9.0 -3.0 39 17 B L H < S+ 0 0 128 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.941 119.8 38.2 -66.1 -45.9 -10.5 6.1 -3.1 40 18 B V H < S+ 0 0 39 -4,-3.7 -2,-0.2 -5,-0.2 -3,-0.2 0.985 133.5 23.7 -60.6 -68.6 -13.3 8.4 -1.7 41 19 B c S < S+ 0 0 17 -4,-3.2 2,-0.5 -5,-0.3 3,-0.5 0.994 75.3 149.2 -66.6 -84.9 -12.3 11.5 -3.6 42 20 B G S > S+ 0 0 16 -5,-0.3 3,-1.4 1,-0.2 -1,-0.1 -0.738 76.1 19.5 86.9-120.5 -10.3 10.6 -6.8 43 21 B E T 3 S+ 0 0 153 -2,-0.5 61,-0.4 1,-0.3 -1,-0.2 0.692 122.1 60.3 -57.9 -27.9 -10.9 13.1 -9.7 44 22 B R T 3 S- 0 0 99 -3,-0.5 -1,-0.3 1,-0.1 60,-0.2 0.883 100.3-145.3 -64.2 -31.1 -12.1 15.8 -7.3 45 23 B G < - 0 0 0 -3,-1.4 -24,-1.6 57,-0.1 2,-0.3 -0.228 12.2-127.5 73.9 167.9 -8.7 15.7 -5.5 46 24 B F E -BC 20 101B 1 55,-1.3 55,-3.1 -26,-0.2 2,-0.4 -0.956 3.1-121.6-136.3 172.1 -8.5 16.3 -1.7 47 25 B F E - C 0 100B 87 -28,-1.6 2,-0.6 -2,-0.3 53,-0.2 -0.939 18.7-154.1-114.3 135.2 -6.7 18.3 1.0 48 26 B Y E + C 0 99B 5 51,-3.6 51,-1.3 -2,-0.4 26,-0.2 -0.971 19.6 174.0-110.3 106.9 -4.8 16.4 3.6 49 27 B T + 0 0 68 -2,-0.6 -46,-0.5 49,-0.2 2,-0.2 -0.935 2.7 177.4-121.9 88.8 -4.6 18.5 6.8 50 28 B P - 0 0 33 0, 0.0 2,-0.5 0, 0.0 -48,-0.0 -0.479 33.2-112.9 -72.4 164.2 -3.1 16.9 9.9 51 29 B K 0 0 172 -2,-0.2 46,-0.1 -50,-0.1 47,-0.1 -0.935 360.0 360.0-103.1 130.5 -2.7 18.8 13.2 52 30 B A 0 0 121 -2,-0.5 0, 0.0 45,-0.1 0, 0.0 -0.962 360.0 360.0-143.9 360.0 0.9 19.6 14.3 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 41 0, 0.0 4,-1.8 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0-150.3 -0.1 19.8 -13.4 55 2 C I H > + 0 0 1 47,-0.6 4,-2.4 50,-0.4 5,-0.3 0.912 360.0 46.0 -55.8 -56.0 0.9 17.1 -10.8 56 3 C V H >>S+ 0 0 42 1,-0.3 4,-3.7 2,-0.2 5,-2.3 0.930 110.5 53.9 -62.0 -47.9 0.1 13.9 -12.8 57 4 C E H 4>S+ 0 0 94 3,-0.3 5,-1.4 1,-0.2 -1,-0.3 0.855 113.3 43.7 -51.1 -43.4 1.8 15.2 -16.0 58 5 C Q H <5S+ 0 0 87 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.962 132.3 18.1 -73.7 -43.2 5.0 15.9 -14.0 59 6 C d H <5S+ 0 0 0 -4,-2.4 22,-2.4 2,-0.1 5,-0.3 0.716 136.5 30.2-102.3 -42.9 5.1 12.6 -12.0 60 7 C e T <5S+ 0 0 35 -4,-3.7 -3,-0.3 -5,-0.3 -4,-0.1 0.750 128.6 38.3 -87.2 -39.3 2.8 10.1 -13.7 61 8 C A T - 0 0 20 -2,-0.3 4,-1.0 13,-0.2 3,-0.4 -0.682 31.3-107.3-102.4 162.5 11.8 14.1 -7.8 66 13 C L H > S+ 0 0 38 11,-0.4 4,-0.9 -2,-0.2 3,-0.4 0.835 118.7 62.2 -56.7 -31.8 10.8 14.4 -4.1 67 14 C Y H >> S+ 0 0 129 1,-0.2 3,-1.4 2,-0.2 4,-0.6 0.951 97.7 54.9 -60.4 -45.8 11.7 18.1 -4.3 68 15 C Q H >4 S+ 0 0 69 -3,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.775 101.9 59.8 -61.9 -27.2 8.9 18.7 -6.9 69 16 C L H >< S+ 0 0 1 -4,-1.0 3,-2.4 -3,-0.4 4,-0.4 0.828 88.4 71.4 -70.2 -30.9 6.4 17.2 -4.5 70 17 C E H X< S+ 0 0 107 -3,-1.4 3,-1.6 -4,-0.9 -1,-0.2 0.839 84.6 69.9 -57.2 -29.3 7.2 19.8 -1.8 71 18 C N T << S+ 0 0 128 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.453 98.4 50.3 -65.4 -4.3 5.3 22.3 -4.1 72 19 C Y T < S+ 0 0 18 -3,-2.4 28,-2.1 2,-0.1 -1,-0.3 0.459 88.2 101.4-110.1 -12.5 2.1 20.4 -3.1 73 20 C f B < D 99 0B 25 -3,-1.6 26,-0.3 -4,-0.4 25,-0.1 -0.525 360.0 360.0 -72.3 143.9 2.8 20.6 0.7 74 21 C N 0 0 92 24,-2.0 -1,-0.1 -26,-0.2 24,-0.1 0.046 360.0 360.0 -70.7 360.0 0.8 23.2 2.7 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 0 186 0, 0.0 2,-0.1 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 132.6 17.0 11.1 -4.7 77 2 D V - 0 0 93 1,-0.1 -11,-0.4 -12,-0.1 2,-0.3 -0.433 360.0-107.1-103.4 157.5 15.7 9.9 -8.1 78 3 D N - 0 0 85 -13,-0.2 2,-0.3 -2,-0.1 -13,-0.2 -0.696 45.8-179.1 -73.2 132.8 13.0 10.7 -10.6 79 4 D Q B -E 64 0C 87 -15,-2.1 -15,-1.9 -2,-0.3 2,-0.7 -0.960 33.1-115.9-134.6 156.5 10.2 8.2 -10.5 80 5 D H - 0 0 106 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.868 36.8-179.6 -96.4 107.4 6.9 7.5 -12.2 81 6 D L + 0 0 29 -22,-2.4 2,-0.4 -2,-0.7 -20,-0.1 -0.949 2.5 176.0-116.9 115.0 4.1 7.9 -9.6 82 7 D e > - 0 0 52 -2,-0.5 3,-1.0 -22,-0.1 4,-0.1 -0.927 43.8 -28.5-124.3 143.0 0.4 7.4 -10.7 83 8 D G T >> S- 0 0 21 -2,-0.4 3,-2.6 1,-0.2 4,-0.6 -0.062 121.2 -6.3 60.5-148.0 -2.9 7.3 -8.8 84 9 D S H 3> S+ 0 0 25 1,-0.3 4,-0.7 2,-0.2 3,-0.2 0.731 126.7 69.4 -52.4 -24.1 -3.2 6.3 -5.2 85 10 D H H X> S+ 0 0 134 -3,-1.0 3,-1.0 1,-0.2 4,-0.8 0.905 93.5 58.2 -60.8 -39.3 0.5 5.3 -5.2 86 11 D L H X> S+ 0 0 1 -3,-2.6 4,-2.6 1,-0.2 3,-0.8 0.884 92.6 65.4 -59.7 -37.2 1.3 9.1 -5.5 87 12 D V H 3X S+ 0 0 0 -4,-0.6 4,-2.9 1,-0.3 -1,-0.2 0.743 100.2 51.9 -62.1 -29.3 -0.5 10.1 -2.3 88 13 D E H < S+ 0 0 13 -4,-2.7 3,-1.6 -5,-0.2 -2,-0.2 0.849 76.3 162.4 -91.4 -41.4 5.1 16.5 3.5 95 20 D G G >< S+ 0 0 28 -4,-3.2 3,-1.3 -5,-0.4 -1,-0.2 -0.343 76.2 10.2 57.6-114.5 4.1 14.5 6.7 96 21 D E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -47,-0.1 -2,-0.1 0.698 122.6 63.9 -66.3 -34.1 2.6 16.9 9.2 97 22 D R G < S- 0 0 162 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.822 94.7-155.6 -59.3 -26.6 2.4 20.0 6.9 98 23 D G < - 0 0 0 -3,-1.3 -24,-2.0 -7,-0.2 2,-0.3 -0.131 5.9-130.1 66.1-174.0 -0.1 17.9 4.8 99 24 D F E -CD 48 73B 0 -51,-1.3 -51,-3.6 -26,-0.3 2,-0.4 -0.953 5.5-112.7-159.1 159.9 -0.8 18.6 1.2 100 25 D F E -C 47 0B 55 -28,-2.1 2,-0.5 -2,-0.3 -53,-0.2 -0.888 19.5-153.6 -98.5 142.9 -3.3 19.2 -1.5 101 26 D Y E +C 46 0B 13 -55,-3.1 -55,-1.3 -2,-0.4 -2,-0.0 -0.984 20.6 175.3-112.1 111.5 -3.8 16.7 -4.3 102 27 D T + 0 0 25 -2,-0.5 -47,-0.6 -57,-0.2 -46,-0.2 -0.918 20.1 168.3-125.0 96.5 -5.2 18.4 -7.3 103 28 D P S S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -47,-0.1 0.943 85.8 53.1 -61.7 -44.3 -5.7 16.5 -10.6 104 29 D K 0 0 164 -61,-0.4 -59,-0.1 -60,-0.2 -2,-0.1 0.818 360.0 360.0 -65.1 -39.0 -7.7 19.4 -12.1 105 30 D A 0 0 100 -51,-0.0 -50,-0.4 0, 0.0 -3,-0.1 -0.352 360.0 360.0 -63.1 360.0 -4.9 22.1 -11.4