==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 28-JAN-02 1GUJ . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.WHITTINGHAM,D.J.SCOTT,K.CHANCE,A.WILSON,J.FINCH, . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 62.7 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 . 8 7.8 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 . 4 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 11.8 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 . 6 5.9 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 0 4 0 0 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 . 2 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 77 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-159.7 -4.1 13.7 3.0 2 2 A I H >> + 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.827 360.0 52.3 -65.9 -33.6 -1.8 16.7 3.7 3 3 A V H >>S+ 0 0 30 2,-0.2 5,-2.8 3,-0.2 4,-2.2 0.970 113.4 41.3 -69.1 -51.6 -3.4 18.9 1.1 4 4 A E H 4>S+ 0 0 127 3,-0.2 5,-1.6 1,-0.2 -2,-0.2 0.913 121.8 43.9 -62.3 -34.1 -7.0 18.5 2.3 5 5 A Q H <5S+ 0 0 56 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.868 130.1 18.6 -78.2 -35.4 -5.9 18.7 5.9 6 6 A a H <5S+ 0 0 1 -4,-2.5 22,-2.9 -5,-0.2 5,-0.3 0.663 132.6 33.9-113.5 -25.6 -3.4 21.6 5.8 7 7 A b T < - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.495 34.2-100.0 -96.2 169.2 -2.2 21.2 13.7 13 13 A L H > S+ 0 0 93 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.898 120.7 48.3 -58.7 -45.2 1.5 20.6 14.4 14 14 A Y H > S+ 0 0 167 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.812 108.7 54.1 -69.7 -28.3 1.2 16.9 15.1 15 15 A Q H 4 S+ 0 0 70 -3,-0.4 4,-0.4 2,-0.2 3,-0.3 0.952 112.7 44.5 -64.7 -47.4 -0.9 16.4 12.0 16 16 A L H >< S+ 0 0 12 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.938 111.0 53.6 -63.0 -42.5 1.9 18.0 10.0 17 17 A E H >< S+ 0 0 80 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.797 96.2 68.0 -63.5 -28.4 4.6 16.0 11.8 18 18 A N T 3< S+ 0 0 138 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.689 92.6 59.8 -67.4 -15.1 2.9 12.8 11.0 19 19 A Y T < S+ 0 0 76 -3,-1.8 28,-0.6 -4,-0.4 -1,-0.3 0.489 87.7 99.3 -88.0 -4.0 3.8 13.3 7.3 20 20 A c B < A 46 0A 21 -3,-1.6 26,-0.3 -4,-0.3 25,-0.1 -0.323 360.0 360.0 -78.8 164.1 7.5 13.3 8.0 21 21 A N 0 0 126 24,-2.5 -1,-0.1 -2,-0.0 24,-0.1 -0.153 360.0 360.0 -73.9 360.0 9.9 10.4 7.6 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 0 247 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.2 -8.1 38.2 7.3 24 2 B V - 0 0 101 1,-0.1 2,-0.4 2,-0.1 0, 0.0 -0.136 360.0-126.7 -51.8 138.2 -4.8 36.5 8.0 25 3 B N - 0 0 113 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.782 25.3-177.7 -94.6 126.1 -4.6 33.1 6.2 26 4 B Q + 0 0 117 -2,-0.4 -15,-0.3 -19,-0.1 2,-0.2 0.434 50.1 111.0 -99.2 -2.2 -3.7 29.9 8.2 27 5 B H - 0 0 74 -17,-0.1 2,-0.6 -19,-0.1 -20,-0.2 -0.469 57.4-147.7 -77.6 145.9 -3.7 27.5 5.2 28 6 B L + 0 0 49 -22,-2.9 2,-0.3 -19,-0.3 -20,-0.1 -0.939 29.8 164.2-115.6 111.2 -0.4 26.0 4.0 29 7 B b > - 0 0 48 -2,-0.6 3,-1.7 -22,-0.1 4,-0.4 -0.940 44.2 -29.3-133.1 148.5 -0.3 25.4 0.3 30 8 B G T >> S+ 0 0 24 -2,-0.3 4,-2.3 1,-0.3 3,-0.8 -0.178 129.3 4.8 56.5-131.3 2.2 24.7 -2.4 31 9 B S H 3> S+ 0 0 43 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.831 133.1 57.4 -58.5 -30.7 5.6 26.1 -1.8 32 10 B H H <> S+ 0 0 118 -3,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.862 106.6 48.7 -67.6 -34.6 4.4 27.2 1.7 33 11 B L H <> S+ 0 0 1 -3,-0.8 4,-2.2 -4,-0.4 -2,-0.2 0.913 110.8 49.9 -69.8 -42.5 3.5 23.6 2.5 34 12 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.921 111.0 49.6 -61.5 -41.8 6.8 22.3 1.3 35 13 B E H X S+ 0 0 85 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.862 108.1 54.4 -64.7 -37.7 8.6 24.9 3.5 36 14 B A H X S+ 0 0 14 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.905 110.2 45.5 -61.2 -46.0 6.5 23.9 6.5 37 15 B L H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.907 109.3 55.9 -64.3 -40.6 7.5 20.3 6.1 38 16 B Y H X S+ 0 0 70 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.940 113.9 41.5 -56.3 -44.2 11.1 21.3 5.6 39 17 B L H < S+ 0 0 134 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.954 119.9 38.9 -70.2 -53.1 10.9 23.2 9.0 40 18 B V H < S+ 0 0 37 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.866 117.8 46.8 -74.5 -31.6 9.0 20.7 11.1 41 19 B c H >< S+ 0 0 2 -4,-2.7 3,-2.2 -5,-0.3 4,-0.4 0.768 80.5 167.8 -83.5 -21.6 10.6 17.5 9.8 42 20 B G G >< - 0 0 34 -4,-1.2 3,-1.5 -5,-0.4 -1,-0.2 -0.130 69.3 -3.9 51.7-136.7 14.1 18.8 10.1 43 21 B E G 3 S+ 0 0 131 1,-0.3 61,-0.5 60,-0.1 -1,-0.3 0.597 125.4 72.0 -68.5 -8.2 16.7 16.0 9.7 44 22 B R G < S- 0 0 184 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.824 89.1-162.9 -71.2 -29.6 14.0 13.3 9.5 45 23 B G < - 0 0 0 -3,-1.5 -24,-2.5 -4,-0.4 2,-0.3 -0.137 1.2-132.6 71.9-172.8 13.1 14.6 6.0 46 24 B F E -AB 20 101A 1 55,-1.8 55,-3.4 -26,-0.3 2,-0.3 -0.982 7.4-113.8-169.7 163.1 9.9 13.9 4.2 47 25 B F E + B 0 100A 75 -28,-0.6 2,-0.3 -2,-0.3 53,-0.2 -0.840 35.1 176.9-104.9 144.2 8.3 12.8 0.9 48 26 B Y E - B 0 99A 11 51,-2.3 51,-2.5 -2,-0.3 -2,-0.0 -0.987 14.4-179.9-149.0 142.0 6.1 15.2 -1.1 49 27 B T - 0 0 55 -2,-0.3 47,-0.1 49,-0.3 2,-0.1 -0.974 19.7-142.3-138.9 127.1 4.2 15.2 -4.4 50 28 B P - 0 0 10 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.410 15.7-132.5 -79.7 162.6 2.2 18.1 -5.8 51 29 B K 0 0 132 -2,-0.1 45,-0.1 1,-0.0 0, 0.0 0.760 360.0 360.0 -81.5 -24.0 -1.0 17.7 -7.7 52 30 B T 0 0 149 43,-0.1 -1,-0.0 0, 0.0 0, 0.0 -0.811 360.0 360.0-112.1 360.0 0.2 20.2 -10.5 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 32 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-156.9 23.2 12.7 -0.6 55 2 C I H >> + 0 0 3 50,-0.5 4,-2.7 47,-0.4 5,-0.5 0.839 360.0 54.8 -65.9 -35.5 21.6 15.9 -1.9 56 3 C V H >>S+ 0 0 45 46,-0.3 5,-2.8 49,-0.2 4,-2.3 0.956 112.5 42.5 -63.5 -45.2 23.2 18.1 0.7 57 4 C E H 4>S+ 0 0 100 3,-0.2 5,-1.9 1,-0.2 -2,-0.2 0.926 119.1 44.3 -66.8 -41.4 26.7 17.0 -0.3 58 5 C Q H <5S+ 0 0 50 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.865 130.9 18.2 -72.2 -35.1 26.0 17.0 -4.0 59 6 C d H <5S+ 0 0 0 -4,-2.7 22,-3.0 -5,-0.2 5,-0.3 0.611 132.4 33.4-114.8 -19.3 24.2 20.3 -4.2 60 7 C e T < - 0 0 57 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.342 36.7-101.5 -77.4 169.2 24.2 19.8 -12.4 66 13 C L H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.913 123.8 49.7 -58.2 -43.3 20.5 19.8 -13.2 67 14 C Y H > S+ 0 0 178 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.848 108.0 53.6 -70.3 -29.8 20.5 16.0 -13.8 68 15 C Q H 4 S+ 0 0 80 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.931 111.8 45.2 -68.1 -40.0 22.3 15.4 -10.5 69 16 C L H >< S+ 0 0 11 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.915 113.2 50.7 -63.9 -42.8 19.5 17.4 -8.7 70 17 C E H >< S+ 0 0 70 -4,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.739 91.7 74.2 -68.4 -28.4 16.8 15.6 -10.7 71 18 C N T 3< S+ 0 0 131 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.799 90.2 63.8 -57.6 -20.5 18.3 12.2 -9.8 72 19 C Y T < S+ 0 0 57 -3,-1.4 28,-0.9 -4,-0.4 -1,-0.3 0.519 82.0 100.1 -81.4 -5.5 16.7 13.1 -6.3 73 20 C f B < C 99 0A 24 -3,-2.3 26,-0.3 26,-0.2 25,-0.1 -0.347 360.0 360.0 -76.5 161.9 13.2 13.0 -7.7 74 21 C N 0 0 124 24,-2.6 -1,-0.1 -2,-0.1 24,-0.1 -0.203 360.0 360.0 -83.0 360.0 10.9 10.0 -7.2 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 0 227 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.2 27.6 36.7 -9.0 77 2 D V - 0 0 125 1,-0.1 2,-0.2 2,-0.1 0, 0.0 -0.199 360.0 -92.4 -64.7 151.7 25.2 34.9 -6.7 78 3 D N - 0 0 109 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.467 31.2-158.8 -64.0 128.6 26.2 31.9 -4.8 79 4 D Q + 0 0 122 -2,-0.2 2,-0.3 -3,-0.1 -15,-0.3 0.442 59.7 104.6 -94.5 -6.6 25.5 28.7 -6.8 80 5 D H - 0 0 73 -17,-0.1 2,-0.7 -19,-0.1 -20,-0.2 -0.639 67.8-139.6 -70.7 138.1 25.5 26.3 -3.9 81 6 D L + 0 0 49 -22,-3.0 2,-0.3 -19,-0.4 -22,-0.1 -0.888 35.0 167.3-103.2 113.3 21.9 25.3 -3.1 82 7 D e > - 0 0 42 -2,-0.7 3,-1.5 -22,-0.1 4,-0.4 -0.870 36.1 -15.2-131.6 160.8 21.4 25.2 0.6 83 8 D G T >> S- 0 0 31 -2,-0.3 4,-1.2 1,-0.3 3,-1.0 -0.210 125.9 -8.2 55.6-138.3 18.7 25.0 3.3 84 9 D S H 3> S+ 0 0 41 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.784 130.9 67.4 -63.8 -25.9 15.2 25.7 2.2 85 10 D H H <> S+ 0 0 133 -3,-1.5 4,-1.8 1,-0.2 -1,-0.3 0.859 99.1 51.8 -62.5 -34.2 16.5 26.9 -1.2 86 11 D L H <> S+ 0 0 1 -3,-1.0 4,-2.1 -4,-0.4 -1,-0.2 0.921 109.8 46.3 -68.3 -42.9 17.5 23.3 -1.9 87 12 D V H X S+ 0 0 0 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.889 112.1 52.0 -70.0 -32.8 14.1 21.8 -1.0 88 13 D E H X S+ 0 0 42 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.875 108.6 51.5 -70.4 -34.2 12.4 24.5 -3.1 89 14 D A H X S+ 0 0 17 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.916 109.7 49.3 -65.6 -42.0 14.7 23.7 -6.0 90 15 D L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.923 108.3 53.9 -62.7 -41.9 13.7 20.0 -5.7 91 16 D Y H X S+ 0 0 52 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.915 112.1 46.0 -57.2 -44.1 10.1 20.9 -5.6 92 17 D L H < S+ 0 0 136 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.960 116.1 40.8 -66.5 -52.5 10.5 22.8 -8.9 93 18 D V H < S+ 0 0 35 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.795 114.4 51.4 -74.9 -20.2 12.5 20.3 -10.9 94 19 D f H >< S+ 0 0 3 -4,-2.2 3,-2.3 -5,-0.2 4,-0.3 0.784 75.7 166.8 -86.7 -25.7 10.6 17.3 -9.8 95 20 D G G >< S- 0 0 25 -4,-1.2 3,-1.7 -5,-0.3 -1,-0.2 -0.150 72.0 -5.3 48.6-136.1 7.1 18.5 -10.5 96 21 D E G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -47,-0.1 -2,-0.1 0.573 124.4 73.8 -69.0 -8.5 4.5 15.7 -10.5 97 22 D R G < S- 0 0 181 -3,-2.3 -1,-0.3 1,-0.1 -2,-0.2 0.825 89.2-160.1 -69.6 -29.2 7.2 13.1 -9.9 98 23 D G < - 0 0 0 -3,-1.7 -24,-2.6 -4,-0.3 2,-0.3 -0.113 5.2-125.2 71.4-175.0 7.5 14.3 -6.4 99 24 D F E -BC 48 73A 0 -51,-2.5 -51,-2.3 -26,-0.3 2,-0.6 -0.997 9.2-119.5-163.9 159.7 10.5 13.7 -4.2 100 25 D F E -B 47 0A 92 -28,-0.9 2,-0.7 -2,-0.3 -53,-0.2 -0.950 25.3-156.8-103.1 120.4 12.1 12.4 -1.1 101 26 D Y E +B 46 0A 11 -55,-3.4 -55,-1.8 -2,-0.6 -2,-0.0 -0.910 21.3 168.3 -98.5 114.2 14.0 15.1 0.8 102 27 D T + 0 0 58 -2,-0.7 -47,-0.4 -57,-0.2 -46,-0.3 -0.840 6.0 170.8-128.2 87.5 16.6 13.3 2.9 103 28 D P + 0 0 13 0, 0.0 -47,-0.2 0, 0.0 -1,-0.1 0.810 69.5 61.8 -71.9 -29.3 19.0 15.8 4.3 104 29 D K 0 0 165 -61,-0.5 -60,-0.1 -48,-0.1 -61,-0.1 0.860 360.0 360.0 -71.2 -35.4 20.9 13.5 6.7 105 30 D T 0 0 118 -3,-0.2 -50,-0.5 -49,-0.0 -49,-0.2 -0.865 360.0 360.0-126.0 360.0 22.2 11.1 4.2