==== 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 06-MAY-12 4F1A . 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) . 5921.0 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 . 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 . 17 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 28.4 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 3 0 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 37 0, 0.0 3,-0.3 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0-166.0 -0.5 -19.8 12.2 2 2 A I >>> + 0 0 2 47,-0.3 4,-1.7 1,-0.2 3,-0.9 0.826 360.0 51.4 -49.1 -40.1 0.8 -17.1 9.8 3 3 A V H 3>>S+ 0 0 30 49,-0.3 5,-2.4 1,-0.3 4,-1.4 0.946 111.4 47.9 -65.8 -43.7 -0.4 -14.2 12.1 4 4 A E H 345S+ 0 0 94 -3,-0.3 -1,-0.3 3,-0.2 -2,-0.1 -0.339 115.6 45.5 -89.3 41.1 1.4 -15.7 15.1 5 5 A Q H <45S+ 0 0 85 -3,-0.9 -2,-0.2 -2,-0.8 -1,-0.2 0.260 128.9 14.2-139.0 -41.3 4.6 -16.3 13.2 6 6 A a H <5S+ 0 0 0 -4,-1.7 22,-3.3 22,-0.1 5,-0.5 0.581 132.9 37.0-120.7 -25.3 5.3 -13.0 11.2 7 7 A b T < -A 25 0A 17 -2,-0.3 4,-2.3 13,-0.2 13,-0.2 -0.494 32.2-108.5 -93.6 168.2 11.7 -14.2 7.4 13 13 A L H > S+ 0 0 49 11,-0.7 4,-1.2 1,-0.2 -1,-0.1 0.878 122.3 55.1 -61.7 -37.6 10.9 -14.1 3.6 14 14 A Y H 4 S+ 0 0 146 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.885 105.5 50.8 -61.7 -44.8 11.8 -17.8 3.5 15 15 A Q H >4 S+ 0 0 60 1,-0.2 3,-2.0 2,-0.2 4,-0.2 0.889 103.3 60.3 -60.7 -39.9 9.3 -18.6 6.3 16 16 A L H >< S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.856 90.8 68.9 -54.5 -31.6 6.7 -16.7 4.3 17 17 A E G >< S+ 0 0 72 -4,-1.2 3,-1.6 -3,-0.4 -1,-0.3 0.731 79.4 79.4 -60.4 -17.1 7.2 -19.2 1.5 18 18 A N G < S+ 0 0 113 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.746 92.0 52.3 -59.9 -22.5 5.6 -21.8 3.8 19 19 A Y G < S+ 0 0 38 -3,-2.2 28,-1.9 -4,-0.2 -1,-0.2 0.312 83.8 108.3-102.0 9.8 2.2 -20.2 2.7 20 20 A c B < B 46 0B 17 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.478 360.0 360.0 -74.1 153.0 2.6 -20.4 -1.1 21 21 A N 0 0 98 24,-1.8 -1,-0.1 80,-0.2 24,-0.1 -0.184 360.0 360.0 -79.0 360.0 0.6 -22.9 -3.1 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 0 185 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-162.3 17.2 -11.1 3.9 24 2 B V - 0 0 93 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.702 360.0-124.1-120.9 172.0 15.6 -10.0 7.3 25 3 B N E +A 12 0A 85 -2,-0.2 2,-0.2 -13,-0.2 -13,-0.2 -0.998 42.3 153.7-109.4 124.2 13.0 -10.8 9.9 26 4 B Q E -A 11 0A 111 -15,-1.3 -15,-1.6 -2,-0.4 2,-0.5 -0.831 50.7 -84.7-134.3 173.3 10.4 -8.0 10.6 27 5 B H - 0 0 117 -2,-0.2 2,-0.5 -17,-0.2 -20,-0.3 -0.775 43.2-173.8 -77.2 125.2 6.7 -7.7 11.9 28 6 B L + 0 0 14 -22,-3.3 2,-0.4 -2,-0.5 -22,-0.1 -0.961 10.8 171.5-126.6 110.5 4.3 -8.2 9.0 29 7 B b > - 0 0 50 -2,-0.5 3,-1.8 -22,-0.1 4,-0.3 -0.937 42.4 -32.7-124.7 144.6 0.7 -7.6 9.7 30 8 B G T >> S+ 0 0 18 -2,-0.4 4,-2.2 1,-0.3 3,-0.6 -0.177 127.7 3.9 62.2-133.8 -2.6 -7.3 7.9 31 9 B S H 3> S+ 0 0 33 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.828 133.1 56.9 -61.6 -27.3 -2.4 -5.9 4.5 32 10 B H H <> S+ 0 0 130 -3,-1.8 4,-1.8 2,-0.2 -1,-0.3 0.854 104.1 52.5 -69.1 -36.8 1.4 -5.7 4.8 33 11 B L H <> S+ 0 0 0 -3,-0.6 4,-2.7 -4,-0.3 -2,-0.2 0.935 110.7 47.2 -62.7 -45.8 1.5 -9.4 5.4 34 12 B V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.890 108.9 54.4 -69.8 -32.8 -0.5 -10.2 2.3 35 13 B E H X S+ 0 0 57 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.909 109.7 48.2 -59.2 -40.8 1.6 -7.8 0.2 36 14 B A H X S+ 0 0 13 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.915 110.3 51.2 -68.5 -42.1 4.7 -9.8 1.4 37 15 B L H X>S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.6 0.938 110.1 49.6 -56.1 -44.6 3.0 -13.1 0.5 38 16 B Y H X5S+ 0 0 64 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.912 111.9 49.8 -62.9 -45.7 2.2 -11.8 -3.0 39 17 B L H <5S+ 0 0 131 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.917 117.9 37.0 -52.6 -50.9 5.9 -10.7 -3.3 40 18 B V H <5S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.868 129.9 28.8 -76.4 -37.5 7.3 -14.1 -2.2 41 19 B c H ><5S+ 0 0 3 -4,-2.7 3,-2.2 -5,-0.2 -3,-0.2 0.831 78.0 153.0 -96.4 -42.9 4.8 -16.5 -3.9 42 20 B G G >< + 0 0 23 -2,-0.6 3,-1.2 49,-0.2 -47,-0.3 -0.679 8.7 172.7-135.7 74.6 -5.7 -17.9 6.6 50 28 B P T 3 S+ 0 0 18 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.749 74.8 63.7 -62.8 -22.6 -5.3 -15.9 9.9 51 29 B K T 3 0 0 152 45,-0.4 46,-0.1 46,-0.1 47,-0.0 0.772 360.0 360.0 -75.0 -20.5 -7.8 -18.1 11.9 52 30 B T < 0 0 112 -3,-1.2 -49,-0.3 0, 0.0 -3,-0.1 -0.409 360.0 360.0 -63.9 360.0 -5.5 -21.0 11.4 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 61 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-170.7 -9.7 -17.1 -13.5 55 2 C I H > + 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.851 360.0 57.3 -55.2 -44.2 -10.4 -14.2 -11.1 56 3 C V H > S+ 0 0 18 46,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.960 116.1 35.4 -54.2 -54.3 -6.8 -13.1 -11.0 57 4 C E H >>>S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 3,-1.0 0.980 115.4 54.1 -63.3 -59.4 -6.8 -12.6 -14.8 58 5 C Q H 3X5S+ 0 0 66 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.902 106.8 52.4 -40.3 -57.9 -10.4 -11.4 -15.2 59 6 C d H 3<5S+ 0 0 0 -4,-2.7 22,-1.4 1,-0.2 -1,-0.3 0.869 119.2 36.6 -50.4 -38.0 -9.8 -8.6 -12.6 60 7 C e H <<5S+ 0 0 44 -4,-1.2 -2,-0.2 -3,-1.0 -1,-0.2 0.952 125.3 33.1 -86.8 -56.6 -6.8 -7.4 -14.6 61 8 C T H <5S+ 0 0 124 -4,-2.5 2,-0.2 -5,-0.1 -3,-0.2 0.898 137.6 12.0 -59.3 -46.2 -7.7 -7.9 -18.3 62 9 C S S < - 0 0 21 -2,-0.3 4,-1.8 13,-0.2 3,-0.2 -0.667 24.1-115.9-109.8 161.9 -16.9 -7.0 -8.6 66 13 C L H > S+ 0 0 39 11,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.810 118.1 59.8 -62.8 -29.4 -16.4 -7.3 -4.8 67 14 C Y H 4 S+ 0 0 138 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.869 104.5 46.4 -69.9 -38.6 -19.1 -10.0 -4.9 68 15 C Q H >4 S+ 0 0 72 -3,-0.2 3,-0.9 1,-0.2 -1,-0.2 0.842 111.3 53.7 -64.0 -38.3 -17.0 -12.1 -7.3 69 16 C L H >< S+ 0 0 0 -4,-1.8 3,-2.5 1,-0.2 4,-0.3 0.873 96.4 67.2 -65.5 -33.4 -13.9 -11.6 -5.1 70 17 C E G >< S+ 0 0 79 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.768 85.4 70.8 -58.9 -22.8 -15.9 -12.8 -2.1 71 18 C N G < S+ 0 0 119 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.659 93.1 57.7 -70.4 -12.5 -16.0 -16.3 -3.6 72 19 C Y G < S+ 0 0 59 -3,-2.5 28,-2.1 -4,-0.1 -1,-0.3 0.438 80.7 109.0-100.8 0.9 -12.2 -16.6 -2.9 73 20 C f B < D 99 0B 16 -3,-1.4 26,-0.3 -4,-0.3 25,-0.1 -0.439 360.0 360.0 -68.5 152.8 -12.6 -16.0 0.9 74 21 C N 0 0 91 24,-2.2 -1,-0.1 -26,-0.2 -2,-0.1 -0.364 360.0 360.0 -80.9 360.0 -12.0 -19.0 3.1 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,-0.2 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 148.4 -20.1 -1.3 -4.5 77 2 D V - 0 0 109 1,-0.1 -11,-0.4 -12,-0.0 2,-0.0 -0.685 360.0 -91.3-104.8 162.7 -18.6 -0.5 -7.9 78 3 D N - 0 0 103 -2,-0.2 2,-0.4 -13,-0.1 -13,-0.2 -0.285 43.3-136.9 -73.6 160.5 -16.8 -2.7 -10.3 79 4 D Q B -E 64 0C 42 -15,-3.1 -15,-2.3 2,-0.1 2,-0.6 -0.939 18.7-160.0-129.0 137.0 -13.0 -3.0 -10.1 80 5 D H + 0 0 126 -2,-0.4 2,-0.5 -17,-0.2 -20,-0.2 -0.965 33.9 170.1-113.6 108.6 -10.0 -3.1 -12.4 81 6 D L + 0 0 22 -22,-1.4 2,-0.3 -2,-0.6 -19,-0.1 -0.966 11.6 173.6-133.9 117.3 -7.3 -4.7 -10.3 82 7 D e > - 0 0 44 -2,-0.5 3,-1.7 -22,-0.1 4,-0.3 -0.845 53.1 -21.3-117.1 156.9 -3.9 -6.0 -11.4 83 8 D G T >> S- 0 0 29 -2,-0.3 3,-1.3 1,-0.2 4,-0.9 -0.119 128.5 -2.4 53.6-135.7 -0.9 -7.4 -9.4 84 9 D S H 3> S+ 0 0 33 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.733 124.7 71.3 -62.3 -21.4 -0.7 -6.5 -5.7 85 10 D H H <> S+ 0 0 126 -3,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.834 95.1 53.5 -67.3 -32.5 -3.9 -4.4 -6.0 86 11 D L H <> S+ 0 0 1 -3,-1.3 4,-2.3 -4,-0.3 -1,-0.2 0.858 107.7 50.3 -65.9 -41.2 -5.9 -7.5 -6.4 87 12 D V H X S+ 0 0 0 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.862 107.9 52.9 -68.8 -33.0 -4.5 -9.0 -3.2 88 13 D E H X S+ 0 0 48 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.912 110.0 49.3 -65.2 -40.9 -5.3 -5.8 -1.3 89 14 D A H X S+ 0 0 12 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.899 109.8 49.5 -65.0 -41.4 -8.8 -6.0 -2.5 90 15 D L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.894 109.5 53.6 -63.4 -40.2 -9.1 -9.7 -1.5 91 16 D Y H X S+ 0 0 56 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.917 112.4 43.5 -57.2 -45.6 -7.7 -8.7 1.9 92 17 D L H < S+ 0 0 132 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.910 116.0 47.1 -70.2 -43.9 -10.4 -6.0 2.4 93 18 D V H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 119.9 36.0 -67.4 -36.4 -13.2 -8.1 1.2 94 19 D f H >< S+ 0 0 5 -4,-2.4 3,-1.9 -5,-0.2 -2,-0.2 0.797 78.7 175.1 -94.3 -31.9 -12.5 -11.2 3.2 95 20 D G G >< S- 0 0 31 -4,-2.0 3,-2.5 -5,-0.3 -1,-0.2 -0.232 71.3 -6.4 60.7-141.8 -11.1 -9.9 6.5 96 21 D E G 3 S+ 0 0 147 1,-0.3 -45,-0.4 -46,-0.1 -1,-0.3 0.580 124.4 75.1 -63.9 -12.3 -10.4 -12.5 9.2 97 22 D R G < S- 0 0 87 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.828 91.9-154.5 -65.2 -28.0 -12.0 -15.2 6.9 98 23 D G < - 0 0 0 -3,-2.5 -24,-2.2 -7,-0.2 2,-0.3 -0.083 5.9-134.7 70.6-174.8 -8.7 -15.0 4.9 99 24 D F E -CD 48 73B 0 -51,-1.7 -51,-2.9 -26,-0.3 2,-0.4 -0.972 6.3-113.1-161.0 168.7 -8.6 -15.9 1.2 100 25 D F E -C 47 0B 70 -28,-2.1 2,-0.6 -2,-0.3 -53,-0.2 -0.956 16.9-151.9-118.1 142.8 -6.7 -17.8 -1.4 101 26 D Y E +C 46 0B 10 -55,-3.0 -55,-1.8 -2,-0.4 -80,-0.2 -0.936 22.0 171.5-109.0 113.7 -4.9 -16.1 -4.2 102 27 D T - 0 0 68 -2,-0.6 -46,-0.4 -57,-0.2 -47,-0.1 -0.718 6.2-177.5-130.4 84.1 -4.7 -18.4 -7.2 103 28 D P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.349 35.8 -98.6 -70.3 157.0 -3.4 -16.9 -10.5 104 29 D K 0 0 142 1,-0.1 -59,-0.1 -50,-0.1 -60,-0.0 -0.593 360.0 360.0 -71.2 150.5 -3.3 -19.0 -13.7 105 30 D T 0 0 180 -2,-0.2 -1,-0.1 -61,-0.1 -62,-0.0 0.513 360.0 360.0 -92.4 360.0 -0.0 -20.6 -14.6