==== 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 01-MAY-12 4EXX . 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) . 5877.0 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 . 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 . 5 4.9 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 . 30 29.4 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 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 33 0, 0.0 4,-2.8 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-173.8 17.3 -9.2 -11.6 2 2 A I H >> + 0 0 0 47,-0.4 4,-3.1 1,-0.2 5,-0.6 0.812 360.0 54.6 -50.6 -37.3 14.3 -9.2 -9.3 3 3 A V H 4>S+ 0 0 29 2,-0.2 5,-3.1 46,-0.2 4,-0.5 0.913 112.2 42.9 -71.0 -41.7 12.4 -6.7 -11.5 4 4 A E H 4>S+ 0 0 84 3,-0.2 5,-1.8 -3,-0.2 -2,-0.2 0.931 118.9 46.3 -63.3 -44.7 12.9 -8.8 -14.5 5 5 A Q H <5S+ 0 0 101 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.882 131.9 13.4 -65.6 -45.4 12.0 -11.9 -12.5 6 6 A a T <5S+ 0 0 0 -4,-3.1 22,-0.6 -5,-0.2 5,-0.3 0.878 131.6 36.4-102.1 -55.2 9.0 -10.6 -10.7 7 7 A b T -A 25 0A 10 -2,-0.3 4,-2.9 13,-0.2 13,-0.2 -0.472 31.0-109.0 -84.3 165.7 6.6 -17.1 -7.0 13 13 A L H > S+ 0 0 56 11,-0.7 4,-1.0 1,-0.2 -1,-0.1 0.871 122.9 54.9 -61.2 -34.9 6.8 -16.2 -3.3 14 14 A Y H 4 S+ 0 0 136 2,-0.2 3,-0.4 1,-0.2 4,-0.4 0.869 106.2 49.4 -61.6 -41.0 9.7 -18.9 -3.2 15 15 A Q H >4 S+ 0 0 69 1,-0.2 3,-2.3 2,-0.2 4,-0.3 0.935 105.5 58.6 -69.7 -38.0 11.5 -17.1 -6.0 16 16 A L H >< S+ 0 0 0 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.842 94.0 66.1 -49.6 -34.0 11.0 -13.9 -4.0 17 17 A E G >< S+ 0 0 74 -4,-1.0 3,-1.8 -3,-0.4 -1,-0.3 0.667 81.2 80.1 -68.0 -15.8 12.9 -15.5 -1.2 18 18 A N G < S+ 0 0 110 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.780 91.1 51.6 -58.3 -21.9 15.9 -15.4 -3.5 19 19 A Y G < S+ 0 0 33 -3,-2.0 28,-2.1 -4,-0.3 -1,-0.3 0.286 86.1 109.3-102.7 7.9 16.3 -11.8 -2.5 20 20 A c B < B 46 0B 17 -3,-1.8 26,-0.3 26,-0.2 25,-0.1 -0.478 360.0 360.0 -75.8 157.5 16.2 -12.3 1.3 21 21 A N 0 0 120 24,-2.2 24,-0.1 80,-0.2 -1,-0.1 -0.271 360.0 360.0 -90.4 360.0 19.3 -11.9 3.3 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 0 191 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-174.6 1.0 -20.1 -3.4 24 2 B V - 0 0 102 -13,-0.1 -11,-0.7 2,-0.0 2,-0.4 -0.761 360.0-121.1-127.7 167.4 0.9 -18.3 -6.8 25 3 B N E +A 12 0A 80 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.988 43.7 153.7-109.4 126.9 3.0 -16.5 -9.5 26 4 B Q E -A 11 0A 114 -15,-1.7 -15,-2.1 -2,-0.4 2,-0.7 -0.870 50.4 -90.6-141.5 165.9 2.1 -12.9 -10.2 27 5 B H - 0 0 92 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.3 -0.782 41.4-173.4 -85.8 117.8 3.6 -9.6 -11.4 28 6 B L + 0 0 30 -2,-0.7 2,-0.4 -22,-0.6 -20,-0.1 -0.972 12.2 174.3-119.1 117.7 5.0 -7.8 -8.4 29 7 B b > - 0 0 46 -2,-0.5 3,-1.8 -22,-0.1 4,-0.5 -0.935 38.9 -26.5-131.9 145.1 6.2 -4.3 -9.3 30 8 B G T 3> S- 0 0 17 -2,-0.4 4,-1.9 1,-0.3 3,-0.5 -0.185 127.6 -1.2 63.7-137.7 7.5 -1.3 -7.6 31 9 B S H 3> S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.824 134.0 59.4 -58.2 -29.6 6.5 -0.7 -4.1 32 10 B H H <> S+ 0 0 105 -3,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.890 102.9 53.4 -68.6 -35.7 4.3 -4.0 -4.3 33 11 B L H > S+ 0 0 0 -3,-0.5 4,-2.7 -4,-0.5 -2,-0.2 0.971 111.6 43.1 -60.9 -50.1 7.5 -5.9 -5.1 34 12 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.860 112.0 54.4 -69.9 -27.5 9.3 -4.6 -2.0 35 13 B E H X S+ 0 0 76 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.917 109.3 48.5 -71.8 -35.0 6.2 -5.1 0.1 36 14 B A H X S+ 0 0 13 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.920 110.1 51.0 -66.5 -45.3 6.2 -8.7 -1.1 37 15 B L H X>S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.5 0.912 109.7 51.1 -54.0 -41.5 9.9 -9.0 -0.2 38 16 B Y H X5S+ 0 0 64 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.944 111.5 48.4 -62.6 -44.6 9.1 -7.7 3.2 39 17 B L H <5S+ 0 0 134 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.937 118.1 38.1 -58.5 -51.9 6.4 -10.2 3.5 40 18 B V H <5S+ 0 0 25 -4,-3.1 -2,-0.2 1,-0.1 -1,-0.2 0.895 129.2 29.1 -70.3 -39.9 8.5 -13.2 2.4 41 19 B c H ><5S+ 0 0 3 -4,-3.1 3,-2.0 -5,-0.2 4,-0.3 0.815 76.6 153.2 -95.4 -40.8 11.8 -12.2 4.1 42 20 B G G >< + 0 0 29 -2,-0.6 3,-1.1 49,-0.2 -47,-0.4 -0.807 10.0 173.6-132.6 82.1 18.5 -4.1 -6.3 50 28 B P T 3 S+ 0 0 22 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.803 80.1 60.8 -68.0 -27.3 16.6 -3.2 -9.5 51 29 B K T 3 0 0 144 45,-0.5 46,-0.1 1,-0.2 47,-0.1 0.699 360.0 360.0 -66.5 -20.5 19.8 -2.4 -11.4 52 30 B T < 0 0 111 -3,-1.1 -1,-0.2 0, 0.0 -50,-0.1 -0.903 360.0 360.0 105.4 360.0 20.8 -6.1 -10.7 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,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-165.2 19.2 -0.2 13.7 55 2 C I H > + 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 360.0 56.1 -62.1 -39.9 17.2 1.9 11.2 56 3 C V H > S+ 0 0 15 46,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.913 116.6 36.5 -59.1 -44.5 14.2 -0.6 11.1 57 4 C E H >>>S+ 0 0 47 2,-0.2 4,-3.1 1,-0.2 3,-0.7 0.927 115.2 54.1 -73.9 -46.4 13.8 -0.3 14.9 58 5 C Q H 3X5S+ 0 0 64 -4,-3.5 4,-1.9 1,-0.3 -2,-0.2 0.903 107.9 50.0 -53.4 -47.7 14.7 3.4 15.1 59 6 C d H 3<5S+ 0 0 0 -4,-2.8 22,-3.0 -5,-0.2 5,-0.3 0.768 119.8 38.5 -64.2 -26.1 12.0 4.3 12.6 60 7 C e H <<5S+ 0 0 41 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.933 122.4 34.8 -89.3 -58.6 9.5 2.3 14.5 61 8 C T H <5S- 0 0 116 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.799 138.7 -2.5 -78.8 -17.3 10.2 2.8 18.2 62 9 C S S < - 0 0 21 -2,-0.3 4,-2.2 13,-0.2 13,-0.1 -0.652 25.7-117.4-100.4 161.1 14.4 11.1 8.8 66 13 C L H > S+ 0 0 37 11,-0.4 4,-2.3 -2,-0.2 5,-0.1 0.817 118.3 60.0 -62.9 -29.3 14.3 10.5 5.0 67 14 C Y H > S+ 0 0 133 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.905 104.6 46.4 -68.7 -39.1 18.0 11.4 5.1 68 15 C Q H >4 S+ 0 0 72 1,-0.2 3,-1.1 2,-0.2 -2,-0.2 0.923 111.8 52.4 -66.2 -37.7 18.7 8.6 7.5 69 16 C L H >< S+ 0 0 0 -4,-2.2 3,-3.0 1,-0.3 -2,-0.2 0.898 97.6 66.9 -62.1 -38.6 16.7 6.3 5.3 70 17 C E H >< S+ 0 0 83 -4,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.759 87.4 69.8 -56.1 -26.4 18.8 7.4 2.3 71 18 C N T << S+ 0 0 119 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.643 92.0 58.5 -63.3 -17.3 21.7 5.7 3.9 72 19 C Y T < S+ 0 0 56 -3,-3.0 28,-2.1 -4,-0.2 -1,-0.3 0.332 80.4 108.4 -99.0 -0.3 20.2 2.4 3.2 73 20 C f B < D 99 0B 14 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.501 360.0 360.0 -71.5 153.3 19.9 2.9 -0.6 74 21 C N 0 0 106 24,-2.1 -1,-0.1 -26,-0.2 24,-0.1 -0.175 360.0 360.0 -71.0 360.0 22.3 0.8 -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 0 185 0, 0.0 2,-0.3 0, 0.0 -9,-0.0 0.000 360.0 360.0 360.0 159.0 11.0 16.8 4.7 77 2 D V - 0 0 107 1,-0.1 -11,-0.4 -12,-0.0 2,-0.1 -0.707 360.0 -94.9-100.0 152.7 9.5 15.7 8.0 78 3 D N - 0 0 100 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.329 44.8-132.8 -61.3 154.9 10.6 13.1 10.4 79 4 D Q B -E 64 0C 41 -15,-3.3 -15,-2.3 -2,-0.1 2,-0.6 -0.843 18.5-158.6-121.7 143.3 9.0 9.7 10.0 80 5 D H + 0 0 129 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.960 33.5 169.4-120.4 106.5 7.4 7.1 12.2 81 6 D L + 0 0 20 -22,-3.0 2,-0.3 -2,-0.6 -19,-0.1 -0.957 11.1 173.4-136.1 117.9 7.5 4.0 10.2 82 7 D e > - 0 0 47 -2,-0.5 3,-1.9 -22,-0.1 4,-0.2 -0.853 53.2 -22.1-119.7 155.2 6.9 0.4 11.3 83 8 D G T >> S- 0 0 27 -2,-0.3 3,-1.4 1,-0.3 4,-1.0 -0.140 129.8 -1.7 55.6-135.2 6.7 -2.7 9.4 84 9 D S H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.697 123.9 72.3 -62.1 -21.9 6.0 -2.5 5.7 85 10 D H H <> S+ 0 0 123 -3,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.840 95.1 53.0 -64.9 -30.0 5.7 1.3 5.9 86 11 D L H <> S+ 0 0 1 -3,-1.4 4,-3.1 -4,-0.2 -1,-0.2 0.930 108.0 49.7 -69.9 -42.2 9.4 1.5 6.4 87 12 D V H X S+ 0 0 0 -4,-1.0 4,-2.6 1,-0.2 -2,-0.2 0.906 110.4 50.7 -60.8 -42.4 10.0 -0.6 3.3 88 13 D E H X S+ 0 0 48 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.882 111.2 48.5 -59.4 -41.5 7.6 1.7 1.3 89 14 D A H X S+ 0 0 12 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.907 111.5 49.1 -68.7 -41.6 9.6 4.7 2.6 90 15 D L H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.920 109.9 52.4 -62.8 -42.3 12.9 3.1 1.6 91 16 D Y H X S+ 0 0 52 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.938 113.5 43.0 -56.6 -47.8 11.4 2.3 -1.8 92 17 D L H < S+ 0 0 132 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.6 47.8 -67.0 -43.2 10.4 6.0 -2.3 93 18 D V H < S+ 0 0 32 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 120.3 34.9 -65.4 -36.6 13.6 7.3 -1.0 94 19 D f H >< S+ 0 0 3 -4,-2.7 3,-2.3 1,-0.2 4,-0.3 0.657 77.3 170.0-100.5 -19.8 15.9 5.1 -3.0 95 20 D G G >< S+ 0 0 35 -4,-2.0 3,-1.5 -5,-0.3 -1,-0.2 -0.143 73.1 1.5 49.5-124.9 14.2 4.6 -6.3 96 21 D E G 3 S+ 0 0 146 1,-0.3 -45,-0.5 -46,-0.1 -1,-0.3 0.664 126.8 66.8 -71.3 -17.9 16.3 2.9 -8.9 97 22 D R G < S- 0 0 82 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.845 91.2-159.1 -69.9 -29.8 19.2 2.6 -6.5 98 23 D G < - 0 0 0 -3,-1.5 -24,-2.1 -4,-0.3 2,-0.3 -0.205 6.5-131.2 67.4-167.5 17.1 0.1 -4.5 99 24 D F E -CD 48 73B 0 -51,-1.7 -51,-3.2 -26,-0.3 2,-0.4 -0.967 5.3-109.0-166.5 169.8 18.0 -0.5 -0.9 100 25 D F E -C 47 0B 67 -28,-2.1 2,-0.6 -2,-0.3 -53,-0.2 -0.959 19.5-152.7-120.8 142.6 18.6 -3.1 1.7 101 26 D Y E +C 46 0B 10 -55,-3.3 -55,-2.1 -2,-0.4 -80,-0.2 -0.961 20.1 171.8-115.1 119.8 16.3 -3.8 4.6 102 27 D T - 0 0 66 -2,-0.6 -46,-0.4 -57,-0.2 -47,-0.2 -0.736 7.8-173.4-137.9 84.0 18.0 -5.2 7.6 103 28 D P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -48,-0.0 -0.280 38.3 -92.9 -63.9 156.8 16.0 -5.5 10.8 104 29 D K 0 0 138 -50,-0.1 -59,-0.1 -59,-0.0 0, 0.0 -0.469 360.0 360.0 -57.4 146.8 17.6 -6.5 14.0 105 30 D T 0 0 152 -2,-0.1 0, 0.0 -3,-0.1 0, 0.0 -0.104 360.0 360.0 43.6 360.0 17.5 -10.3 14.7