==== 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 11-MAY-12 4F4V . 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) . 5927.0 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 . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.7 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 . 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 1 2 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 33 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-154.6 -0.6 19.9 -18.0 2 2 A I H > + 0 0 0 47,-0.4 4,-2.8 1,-0.2 5,-0.5 0.866 360.0 54.5 -55.9 -42.4 0.8 17.2 -15.7 3 3 A V H >>S+ 0 0 30 1,-0.2 5,-2.8 2,-0.2 4,-1.8 0.895 113.5 42.1 -65.1 -36.2 -0.4 14.3 -17.9 4 4 A E H 4>S+ 0 0 88 3,-0.2 5,-2.4 -3,-0.2 -1,-0.2 0.925 117.7 46.0 -75.7 -44.3 1.3 15.7 -20.9 5 5 A Q H <5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.902 130.4 18.4 -65.9 -37.3 4.4 16.6 -19.0 6 6 A a H <5S+ 0 0 0 -4,-2.8 22,-3.4 -5,-0.2 5,-0.4 0.632 132.2 29.9-116.6 -24.6 4.8 13.4 -17.1 7 7 A b T <5S+ 0 0 28 -4,-1.8 -3,-0.2 -5,-0.5 22,-0.1 0.799 127.4 33.8-104.7 -56.8 2.8 10.6 -18.7 8 8 A T T -A 25 0A 19 -2,-0.3 4,-2.1 13,-0.2 13,-0.2 -0.459 34.2-106.9 -85.1-180.0 11.6 14.4 -13.3 13 13 A L H > S+ 0 0 51 11,-0.6 4,-1.0 1,-0.3 12,-0.1 0.895 121.2 56.5 -82.3 -27.4 10.8 14.3 -9.8 14 14 A Y H 4 S+ 0 0 144 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.821 104.8 52.4 -65.9 -44.6 11.6 18.0 -9.5 15 15 A Q H >4 S+ 0 0 55 1,-0.2 3,-2.8 2,-0.2 4,-0.2 0.931 102.9 57.9 -57.5 -45.7 9.0 18.7 -12.2 16 16 A L H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.801 92.9 68.9 -57.5 -27.3 6.4 16.8 -10.3 17 17 A E G >< S+ 0 0 73 -4,-1.0 3,-1.3 -3,-0.4 -1,-0.3 0.651 81.3 78.0 -62.5 -12.9 7.1 19.2 -7.4 18 18 A N G < S+ 0 0 109 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.728 91.8 52.2 -66.3 -21.4 5.4 21.8 -9.7 19 19 A Y G < S+ 0 0 35 -3,-1.9 28,-2.1 -4,-0.2 -1,-0.2 0.235 84.5 109.1-102.4 8.8 2.1 20.3 -8.7 20 20 A c B < B 46 0B 16 -3,-1.3 26,-0.3 26,-0.2 25,-0.1 -0.551 360.0 360.0 -74.5 158.5 2.6 20.4 -5.0 21 21 A N 0 0 114 24,-2.0 24,-0.1 80,-0.2 -1,-0.1 -0.184 360.0 360.0 -89.4 360.0 0.6 22.9 -3.0 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 0 199 0, 0.0 2,-0.2 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0-134.2 17.4 11.3 -9.9 24 2 B V - 0 0 93 -13,-0.1 -11,-0.6 2,-0.0 2,-0.4 -0.797 360.0-125.9-129.1 174.2 15.6 10.1 -13.1 25 3 B N E +A 12 0A 88 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.997 38.3 156.7-116.2 123.6 12.9 10.9 -15.7 26 4 B Q E -A 11 0A 113 -15,-1.3 -15,-1.7 -2,-0.4 2,-0.5 -0.869 48.5 -89.1-133.4 171.7 10.2 8.2 -16.4 27 5 B H - 0 0 114 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.760 41.4-172.5 -79.0 127.4 6.6 8.0 -17.8 28 6 B L + 0 0 13 -22,-3.4 2,-0.3 -2,-0.5 -20,-0.1 -0.984 11.4 171.0-131.4 113.0 4.2 8.3 -14.9 29 7 B b > - 0 0 49 -2,-0.5 3,-1.4 -22,-0.1 4,-0.5 -0.922 42.6 -27.6-129.0 146.4 0.6 7.7 -15.8 30 8 B G T >> S+ 0 0 17 -2,-0.3 4,-1.6 1,-0.3 3,-0.8 -0.104 128.2 1.2 56.3-131.1 -2.7 7.3 -13.9 31 9 B S H 3> S+ 0 0 33 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.865 132.3 60.5 -64.0 -27.8 -2.5 6.0 -10.5 32 10 B H H <> S+ 0 0 126 -3,-1.4 4,-1.7 1,-0.2 -1,-0.3 0.831 102.3 52.5 -66.2 -30.6 1.3 5.9 -10.8 33 11 B L H <> S+ 0 0 0 -3,-0.8 4,-2.7 -4,-0.5 -1,-0.2 0.909 110.1 45.8 -73.1 -40.6 1.4 9.6 -11.4 34 12 B V H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.836 109.9 55.6 -78.6 -27.7 -0.6 10.4 -8.3 35 13 B E H X S+ 0 0 57 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.898 109.9 46.8 -61.7 -41.9 1.5 8.0 -6.3 36 14 B A H X S+ 0 0 13 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.961 111.6 50.2 -68.4 -45.4 4.6 9.9 -7.4 37 15 B L H X>S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.6 0.918 110.4 50.5 -54.8 -47.1 2.9 13.3 -6.6 38 16 B Y H X5S+ 0 0 61 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.926 112.0 47.9 -54.7 -46.2 2.1 11.9 -3.1 39 17 B L H <5S+ 0 0 137 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.958 118.9 37.8 -59.8 -49.6 5.7 10.8 -2.7 40 18 B V H <5S+ 0 0 26 -4,-2.7 -2,-0.2 1,-0.1 -1,-0.2 0.843 128.3 30.6 -71.2 -42.3 7.3 14.1 -3.8 41 19 B c H ><5S+ 0 0 4 -4,-2.9 3,-1.9 -5,-0.3 4,-0.2 0.803 78.5 153.4 -88.1 -41.5 4.7 16.5 -2.2 42 20 B G G >< + 0 0 28 -2,-0.6 3,-1.3 49,-0.2 -47,-0.4 -0.750 11.7 177.1-135.7 78.2 -5.7 18.1 -12.5 50 28 B P T 3 S+ 0 0 22 0, 0.0 -47,-0.1 0, 0.0 -1,-0.1 0.751 80.3 61.1 -62.4 -24.9 -5.6 16.1 -15.8 51 29 B K T 3 0 0 176 45,-0.4 46,-0.1 1,-0.3 47,-0.0 0.673 360.0 360.0 -71.4 -26.0 -7.8 18.6 -17.8 52 30 B T < 0 0 101 -3,-1.3 -1,-0.3 0, 0.0 -4,-0.0 -0.674 360.0 360.0 137.0 360.0 -5.0 20.9 -17.0 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 64 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-171.2 -9.5 16.8 7.6 55 2 C I H > + 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.896 360.0 55.0 -62.3 -44.1 -10.3 14.1 5.1 56 3 C V H > S+ 0 0 17 46,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.926 117.2 37.5 -53.7 -46.4 -6.7 12.8 4.9 57 4 C E H >>S+ 0 0 48 1,-0.2 4,-3.3 2,-0.2 5,-0.5 0.915 114.3 55.0 -77.3 -42.1 -6.7 12.3 8.7 58 5 C Q H X5S+ 0 0 60 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.896 105.6 50.6 -55.1 -48.6 -10.3 11.1 9.0 59 6 C d H <5S+ 0 0 0 -4,-2.6 22,-2.1 2,-0.2 -1,-0.2 0.782 118.6 40.1 -64.3 -30.3 -9.9 8.3 6.5 60 7 C e H <5S+ 0 0 41 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.907 122.4 34.9 -86.1 -51.1 -6.9 7.1 8.4 61 8 C T H <5S- 0 0 121 -4,-3.3 -3,-0.2 20,-0.1 -2,-0.2 0.785 139.0 -0.7 -74.2 -29.0 -7.7 7.5 12.1 62 9 C S S < - 0 0 20 -2,-0.3 4,-2.2 13,-0.2 5,-0.1 -0.630 22.0-122.0-104.3 160.5 -16.9 7.2 2.5 66 13 C L H > S+ 0 0 39 11,-0.3 4,-2.0 1,-0.2 5,-0.1 0.849 117.0 57.7 -64.2 -31.4 -16.4 7.4 -1.2 67 14 C Y H > S+ 0 0 136 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.880 107.0 47.0 -65.6 -44.0 -19.1 10.1 -1.2 68 15 C Q H >4 S+ 0 0 73 2,-0.2 3,-1.0 1,-0.2 -2,-0.2 0.887 110.6 53.3 -62.4 -38.7 -17.0 12.1 1.3 69 16 C L H >< S+ 0 0 0 -4,-2.2 3,-2.8 1,-0.2 4,-0.3 0.893 97.8 65.9 -59.2 -38.3 -13.9 11.5 -1.0 70 17 C E H >< S+ 0 0 79 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.751 86.0 70.1 -62.4 -23.6 -15.9 12.8 -3.9 71 18 C N T << S+ 0 0 116 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.666 93.4 58.9 -67.1 -16.6 -16.0 16.3 -2.3 72 19 C Y T < S+ 0 0 60 -3,-2.8 28,-1.9 -4,-0.2 -1,-0.2 0.452 81.1 106.8 -95.6 -1.9 -12.2 16.5 -3.0 73 20 C f B < D 99 0B 15 -3,-1.5 26,-0.3 -4,-0.3 25,-0.1 -0.387 360.0 360.0 -63.4 152.4 -12.6 16.0 -6.8 74 21 C N 0 0 111 24,-2.1 -1,-0.1 -26,-0.2 -2,-0.1 -0.479 360.0 360.0 -85.2 360.0 -12.1 19.1 -8.9 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 0 190 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 157.1 -20.2 1.2 -1.5 77 2 D V - 0 0 112 1,-0.1 -11,-0.3 -13,-0.0 -13,-0.1 -0.799 360.0 -94.8-105.6 154.1 -18.6 0.5 1.8 78 3 D N - 0 0 102 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.298 44.6-136.7 -63.6 158.1 -16.8 2.7 4.3 79 4 D Q B -E 64 0C 44 -15,-2.8 -15,-1.9 2,-0.1 2,-0.5 -0.869 18.7-155.9-127.4 144.6 -13.0 2.9 4.0 80 5 D H + 0 0 124 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.976 33.4 171.8-119.6 109.9 -10.0 3.0 6.2 81 6 D L + 0 0 19 -22,-2.1 2,-0.3 -2,-0.5 -20,-0.1 -0.966 10.8 175.3-134.3 114.1 -7.3 4.7 4.2 82 7 D e > - 0 0 47 -2,-0.5 3,-2.1 -22,-0.1 4,-0.3 -0.811 52.0 -25.5-113.6 161.0 -3.9 5.8 5.1 83 8 D G T >> S- 0 0 29 -2,-0.3 3,-1.2 1,-0.3 4,-0.8 -0.079 129.2 -0.5 43.8-125.2 -1.0 7.3 3.3 84 9 D S H 3> S+ 0 0 34 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.743 123.3 72.9 -69.3 -17.6 -0.8 6.6 -0.3 85 10 D H H <> S+ 0 0 123 -3,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.881 93.8 54.6 -65.7 -30.3 -4.0 4.4 -0.1 86 11 D L H <> S+ 0 0 2 -3,-1.2 4,-2.5 -4,-0.3 -1,-0.2 0.901 107.1 49.2 -62.4 -45.0 -6.0 7.6 0.3 87 12 D V H X S+ 0 0 0 -4,-0.8 4,-2.2 1,-0.2 -2,-0.2 0.893 109.5 52.0 -64.4 -43.3 -4.5 9.0 -2.9 88 13 D E H X S+ 0 0 43 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.906 110.1 49.2 -52.3 -50.3 -5.3 5.8 -4.8 89 14 D A H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 111.0 49.2 -62.3 -44.7 -8.9 6.0 -3.5 90 15 D L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.890 108.3 55.8 -57.1 -39.5 -9.2 9.7 -4.6 91 16 D Y H X S+ 0 0 55 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.918 111.5 41.0 -58.7 -48.8 -7.8 8.8 -8.0 92 17 D L H < S+ 0 0 135 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 117.3 49.3 -69.7 -42.3 -10.5 6.1 -8.7 93 18 D V H < S+ 0 0 29 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.864 118.1 35.7 -64.5 -41.7 -13.2 8.2 -7.3 94 19 D f H >< S+ 0 0 3 -4,-2.6 3,-1.7 1,-0.2 4,-0.3 0.695 80.7 175.6 -91.8 -25.3 -12.5 11.4 -9.1 95 20 D G G >< S- 0 0 32 -4,-1.6 3,-1.1 -5,-0.3 -1,-0.2 -0.240 70.6 -5.9 60.6-138.6 -11.3 10.1 -12.5 96 21 D E G 3 S+ 0 0 146 1,-0.3 -45,-0.4 -46,-0.1 -1,-0.3 0.557 127.3 71.3 -70.2 -12.0 -10.6 12.7 -15.2 97 22 D R G < S- 0 0 110 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.844 91.5-159.0 -66.6 -39.5 -12.0 15.4 -12.8 98 23 D G < - 0 0 0 -3,-1.1 -24,-2.1 -4,-0.3 2,-0.3 -0.226 2.2-126.0 84.3-176.7 -8.9 15.0 -10.7 99 24 D F E -CD 48 73B 0 -51,-1.6 -51,-2.7 -26,-0.3 2,-0.4 -0.964 5.5-112.5-157.9 165.6 -8.6 16.0 -7.1 100 25 D F E -C 47 0B 69 -28,-1.9 2,-0.6 -2,-0.3 -53,-0.2 -0.960 18.9-154.7-110.3 137.2 -6.8 17.9 -4.5 101 26 D Y E +C 46 0B 10 -55,-2.7 -55,-1.8 -2,-0.4 -80,-0.2 -0.935 22.7 165.6-108.5 114.1 -4.9 16.2 -1.7 102 27 D T - 0 0 58 -2,-0.6 -46,-0.3 -57,-0.2 -47,-0.2 -0.735 8.8-178.7-138.3 85.8 -4.6 18.4 1.3 103 28 D P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -48,-0.0 -0.293 40.0 -86.1 -69.4 159.7 -3.5 16.9 4.6 104 29 D K 0 0 145 -2,-0.0 -59,-0.1 -50,-0.0 -60,-0.0 -0.530 360.0 360.0 -58.6 136.0 -3.2 18.7 7.8 105 30 D T 0 0 140 -2,-0.2 0, 0.0 -3,-0.1 0, 0.0 0.339 360.0 360.0 51.1 360.0 0.1 20.5 8.5