==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 28-APR-12 4EWX . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.FAVERO-RETTO,L.C.PALMIERI,L.M.T.R.LIMA . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6020.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 64.7 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 . 13 12.7 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 . 4 3.9 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 . 3 2.9 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 . 3 1 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 . 1 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 32 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0-156.5 -17.0 10.3 29.5 2 2 A I H > + 0 0 2 47,-0.3 4,-2.4 1,-0.2 5,-0.4 0.849 360.0 50.9 -56.8 -39.6 -15.4 7.9 27.0 3 3 A V H >>S+ 0 0 31 2,-0.2 5,-2.5 3,-0.2 4,-1.9 0.901 115.4 42.0 -68.1 -42.0 -12.2 7.5 29.2 4 4 A E H 4>S+ 0 0 85 3,-0.2 5,-2.1 4,-0.2 -2,-0.2 0.925 119.6 44.3 -69.2 -44.4 -14.3 6.8 32.3 5 5 A Q H <5S+ 0 0 85 -4,-3.2 -2,-0.2 3,-0.1 -3,-0.2 0.828 130.8 20.7 -65.5 -35.3 -16.7 4.5 30.4 6 6 A a H <5S+ 0 0 0 -4,-2.4 22,-2.8 -5,-0.3 5,-0.4 0.731 131.3 28.3-115.3 -30.1 -14.0 2.6 28.4 7 7 A b T <5S+ 0 0 27 -4,-1.9 -3,-0.2 -5,-0.4 22,-0.1 0.862 127.7 33.1-101.1 -53.4 -10.6 2.9 30.0 8 8 A T T -A 25 0A 24 -2,-0.3 4,-1.9 13,-0.2 3,-0.2 -0.449 33.7-108.5 -88.0 164.6 -18.3 -3.0 24.6 13 13 A L H > S+ 0 0 54 11,-0.5 4,-1.0 1,-0.2 -1,-0.1 0.830 121.4 57.2 -59.6 -35.2 -17.9 -2.2 20.9 14 14 A Y H 4 S+ 0 0 146 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.853 105.4 50.4 -64.2 -38.2 -21.6 -1.2 20.8 15 15 A Q H >4 S+ 0 0 52 1,-0.2 3,-2.3 2,-0.2 4,-0.3 0.897 102.8 60.2 -63.5 -43.3 -20.8 1.4 23.6 16 16 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.783 92.9 66.9 -57.0 -28.8 -17.9 2.7 21.5 17 17 A E G >< S+ 0 0 77 -4,-1.0 3,-1.6 1,-0.3 -1,-0.3 0.689 80.5 78.9 -63.2 -20.0 -20.4 3.5 18.7 18 18 A N G < S+ 0 0 105 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.789 94.4 49.7 -57.2 -26.4 -21.8 6.2 21.1 19 19 A Y G < S+ 0 0 34 -3,-1.5 28,-2.0 -4,-0.3 -1,-0.3 0.279 84.7 107.3-104.3 8.8 -18.8 8.3 20.0 20 20 A c B < B 46 0B 16 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.492 360.0 360.0 -72.0 154.1 -19.1 8.0 16.2 21 21 A N 0 0 121 24,-2.2 -1,-0.1 80,-0.2 24,-0.1 -0.307 360.0 360.0 -81.6 360.0 -20.3 11.0 14.3 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 0 186 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-144.8 -18.5 -9.5 21.4 24 2 B V - 0 0 89 -13,-0.1 -11,-0.5 2,-0.0 2,-0.4 -0.807 360.0-129.5-132.7 171.5 -16.5 -8.6 24.5 25 3 B N E +A 12 0A 83 -2,-0.2 2,-0.2 -13,-0.1 -13,-0.2 -0.973 39.1 149.9-124.3 114.7 -15.8 -5.9 27.2 26 4 B Q E -A 11 0A 109 -15,-1.1 -15,-1.4 -2,-0.4 2,-0.5 -0.804 51.0 -83.6-132.5 173.9 -12.1 -4.9 27.9 27 5 B H - 0 0 119 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.2 -0.723 39.8-168.7 -80.6 128.4 -10.1 -1.8 29.1 28 6 B L + 0 0 16 -22,-2.8 2,-0.4 -2,-0.5 -20,-0.1 -0.913 13.2 173.3-123.8 105.5 -9.4 0.5 26.3 29 7 B b > - 0 0 52 -2,-0.5 3,-1.5 -22,-0.1 4,-0.2 -0.887 42.7 -33.4-120.8 140.9 -6.8 3.2 27.1 30 8 B G T 3> S+ 0 0 18 -2,-0.4 4,-1.5 1,-0.3 3,-0.4 -0.329 126.9 0.7 66.8-126.8 -5.0 6.0 25.2 31 9 B S H 3> S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.786 131.9 61.1 -70.6 -26.6 -4.0 5.2 21.6 32 10 B H H <> S+ 0 0 126 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.809 101.5 53.4 -65.1 -32.2 -5.7 1.8 22.0 33 11 B L H > S+ 0 0 0 -3,-0.4 4,-2.1 -4,-0.2 -2,-0.2 0.947 111.5 43.9 -64.9 -47.0 -9.0 3.6 22.7 34 12 B V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.795 109.2 57.0 -73.1 -28.2 -8.7 5.7 19.5 35 13 B E H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.932 109.6 46.9 -59.8 -46.7 -7.6 2.6 17.5 36 14 B A H X S+ 0 0 16 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.880 110.5 50.9 -63.8 -43.0 -10.9 0.9 18.6 37 15 B L H X>S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.6 0.911 109.3 51.4 -60.6 -43.6 -12.9 4.0 17.7 38 16 B Y H X5S+ 0 0 68 -4,-2.2 4,-2.2 3,-0.2 -2,-0.2 0.933 112.2 47.8 -55.8 -48.2 -11.3 4.0 14.3 39 17 B L H <5S+ 0 0 126 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.925 118.5 37.9 -56.6 -52.8 -12.3 0.4 13.9 40 18 B V H <5S+ 0 0 22 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.882 128.2 31.6 -71.2 -43.6 -15.9 0.8 15.0 41 19 B c H ><5S+ 0 0 5 -4,-3.0 3,-1.9 -5,-0.2 -3,-0.2 0.878 78.3 153.4 -86.8 -44.0 -16.7 4.1 13.4 42 20 B G G >< + 0 0 34 -2,-0.6 3,-2.1 49,-0.2 -47,-0.3 -0.707 12.3 174.3-132.0 80.9 -12.8 14.0 23.8 50 28 B P T 3 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.680 80.8 65.4 -63.5 -21.9 -11.1 12.9 27.1 51 29 B K T 3 0 0 172 45,-0.3 46,-0.1 46,-0.1 45,-0.0 0.528 360.0 360.0 -74.4 -9.5 -12.1 16.1 28.9 52 30 B T < 0 0 106 -3,-2.1 -50,-0.1 0, 0.0 -1,-0.1 -0.158 360.0 360.0 91.4 360.0 -15.6 14.6 28.4 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,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-166.5 -9.7 16.8 3.6 55 2 C I H > + 0 0 12 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.879 360.0 56.3 -58.2 -43.3 -6.9 16.0 6.0 56 3 C V H > S+ 0 0 19 46,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.957 116.9 34.6 -54.3 -55.4 -7.7 12.3 6.1 57 4 C E H > S+ 0 0 49 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.855 117.0 55.7 -68.0 -39.6 -7.3 12.0 2.3 58 5 C Q H X S+ 0 0 66 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.914 106.3 48.3 -61.5 -46.7 -4.5 14.6 2.1 59 6 C d H < S+ 0 0 0 -4,-2.9 22,-1.1 2,-0.2 5,-0.2 0.815 120.1 40.4 -64.1 -31.7 -2.2 12.8 4.6 60 7 C e H < S+ 0 0 38 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.949 120.1 39.4 -82.0 -58.0 -2.8 9.5 2.8 61 8 C T H < S- 0 0 116 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.847 135.6 -8.2 -60.5 -52.8 -2.7 10.6 -0.9 62 9 C S S < S- 0 0 64 -4,-2.2 2,-0.3 -5,-0.3 19,-0.1 0.020 102.5 -53.1-116.5-130.4 0.2 13.1 -0.5 63 10 C I - 0 0 83 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.836 41.0-161.4-112.0 178.5 1.8 14.4 2.4 64 11 C d B -E 79 0C 0 15,-2.4 15,-4.2 -2,-0.3 2,-0.3 -0.993 9.7-138.6-147.6 151.4 0.8 16.0 5.7 65 12 C S > - 0 0 23 -2,-0.3 4,-1.8 13,-0.2 5,-0.1 -0.781 22.7-124.4-111.2 155.6 2.3 18.1 8.5 66 13 C L H > S+ 0 0 38 11,-0.4 4,-1.7 -2,-0.3 -1,-0.1 0.856 112.6 57.9 -63.7 -34.5 1.9 17.9 12.3 67 14 C Y H 4 S+ 0 0 140 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.885 106.2 47.0 -63.2 -42.2 0.9 21.6 12.3 68 15 C Q H >4 S+ 0 0 69 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.847 110.7 53.9 -64.5 -38.5 -2.0 20.9 9.9 69 16 C L H >< S+ 0 0 0 -4,-1.8 3,-2.1 1,-0.2 4,-0.3 0.831 96.6 66.7 -62.6 -34.0 -3.0 17.9 12.0 70 17 C E G >< S+ 0 0 83 -4,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.698 84.9 72.1 -64.0 -20.5 -3.1 20.2 15.1 71 18 C N G < S+ 0 0 119 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.649 91.8 59.6 -66.5 -13.9 -6.1 22.0 13.5 72 19 C Y G < S+ 0 0 65 -3,-2.1 28,-1.9 -4,-0.1 -1,-0.2 0.566 79.0 104.7-100.2 -7.5 -8.1 18.9 14.3 73 20 C f B < D 99 0B 15 -3,-0.9 26,-0.3 -4,-0.3 25,-0.1 -0.336 360.0 360.0 -62.5 151.0 -7.7 18.9 18.1 74 21 C N 0 0 112 24,-2.0 -1,-0.1 23,-0.3 -2,-0.1 -0.447 360.0 360.0 -78.5 360.0 -10.6 20.1 20.2 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 0 189 0, 0.0 2,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 156.1 9.1 18.3 12.8 77 2 D V - 0 0 111 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.664 360.0 -88.6-110.7 162.1 9.0 16.5 9.4 78 3 D N - 0 0 104 -2,-0.2 2,-0.4 -13,-0.1 -13,-0.2 -0.321 44.3-138.7 -71.7 155.7 6.2 15.9 6.9 79 4 D Q B -E 64 0C 42 -15,-4.2 -15,-2.4 -2,-0.1 2,-0.6 -0.909 19.7-160.7-129.2 138.4 4.0 12.8 7.2 80 5 D H + 0 0 129 -2,-0.4 2,-0.4 -17,-0.2 -20,-0.2 -0.889 33.3 170.9-117.5 99.2 2.5 10.2 5.0 81 6 D L + 0 0 23 -22,-1.1 2,-0.3 -2,-0.6 -19,-0.1 -0.931 8.8 171.3-127.1 129.3 -0.3 8.8 7.1 82 7 D e > - 0 0 59 -2,-0.4 3,-1.6 -22,-0.1 4,-0.1 -0.947 50.0 -18.4-141.5 146.0 -3.0 6.4 6.2 83 8 D G T >> S- 0 0 27 -2,-0.3 3,-1.3 1,-0.3 4,-0.7 -0.311 129.3 -5.0 59.1-133.7 -5.8 4.4 7.9 84 9 D S H 3> S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.717 125.0 73.9 -63.8 -22.6 -5.3 4.0 11.6 85 10 D H H <> S+ 0 0 120 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.753 93.1 54.0 -65.2 -26.4 -1.8 5.7 11.4 86 11 D L H <> S+ 0 0 2 -3,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.929 107.4 49.1 -68.0 -45.3 -3.6 9.0 11.0 87 12 D V H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.821 110.0 53.9 -64.5 -34.4 -5.6 8.5 14.2 88 13 D E H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.947 109.3 46.1 -58.3 -54.4 -2.4 7.6 15.9 89 14 D A H X S+ 0 0 15 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.931 112.5 51.0 -60.0 -45.4 -0.7 10.8 14.8 90 15 D L H X S+ 0 0 2 -4,-2.8 4,-2.0 2,-0.2 5,-0.3 0.878 107.9 52.7 -59.0 -41.5 -3.8 12.8 15.9 91 16 D Y H X S+ 0 0 60 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.961 113.1 44.5 -56.7 -52.1 -3.8 11.2 19.3 92 17 D L H < S+ 0 0 141 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 115.2 46.8 -57.3 -46.6 -0.1 12.1 19.8 93 18 D V H < S+ 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.824 121.9 33.6 -70.1 -33.4 -0.5 15.7 18.5 94 19 D f H >< S+ 0 0 2 -4,-2.0 3,-1.9 -5,-0.2 4,-0.3 0.723 79.1 168.6-100.0 -28.5 -3.6 16.6 20.5 95 20 D G G >< S+ 0 0 27 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.2 -0.262 71.6 2.8 54.7-117.1 -3.2 14.6 23.7 96 21 D E G 3 S+ 0 0 138 1,-0.2 -45,-0.3 -2,-0.1 -1,-0.3 0.638 126.5 63.8 -81.2 -16.9 -5.6 15.6 26.4 97 22 D R G < S- 0 0 95 -3,-1.9 -23,-0.3 1,-0.1 -1,-0.2 0.756 94.5-158.8 -72.0 -24.6 -7.5 18.1 24.2 98 23 D G < - 0 0 0 -3,-0.6 -24,-2.0 -4,-0.3 2,-0.3 -0.119 3.8-125.9 65.5-169.7 -8.5 15.2 22.0 99 24 D F E -CD 48 73B 0 -51,-1.6 -51,-3.1 -26,-0.3 2,-0.4 -0.937 6.5-107.4-160.7 169.9 -9.6 15.5 18.4 100 25 D F E -C 47 0B 78 -28,-1.9 2,-0.7 -2,-0.3 -53,-0.2 -0.979 20.1-155.6-116.5 131.4 -12.2 14.8 15.8 101 26 D Y E +C 46 0B 10 -55,-2.9 -55,-2.0 -2,-0.4 -80,-0.2 -0.918 22.2 167.8-104.9 111.7 -11.6 12.3 13.0 102 27 D T - 0 0 75 -2,-0.7 -46,-0.3 -57,-0.2 -47,-0.1 -0.800 9.9-173.7-132.4 90.5 -13.7 13.2 10.0 103 28 D P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.285 35.3 -94.9 -74.0 165.6 -13.0 11.4 6.7 104 29 D K 0 0 144 -50,-0.1 -59,-0.1 -2,-0.0 0, 0.0 -0.556 360.0 360.0 -77.4 150.5 -14.7 12.2 3.4 105 30 D T 0 0 151 -2,-0.2 0, 0.0 -61,-0.0 0, 0.0 0.403 360.0 360.0 4.4 360.0 -17.7 10.1 2.5