==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR 08-JUN-01 1JCA . COMPND 2 MOLECULE: INSULIN A; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.A.WEISS,Z.WAN,M.ZHAO,Y.-C.CHU,S.H.NAKAGAWA,G.T.BURKE,W.JIA . 101 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 65.3 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 7.9 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 . 1 1.0 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 1 0 0 0 0 0 0 1 0 0 0 1 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 59 0, 0.0 3,-1.2 0, 0.0 4,-1.1 0.000 360.0 360.0 360.0-163.0 -1.1 20.0 -11.9 2 2 A I H 3>> + 0 0 2 47,-0.5 4,-2.6 1,-0.2 5,-0.7 0.766 360.0 64.6 -66.6 -26.5 0.8 17.1 -10.3 3 3 A V H 34>S+ 0 0 49 46,-0.2 5,-1.0 1,-0.2 -1,-0.2 0.581 104.5 46.7 -76.0 -11.3 -0.7 14.5 -12.6 4 4 A E H <45S+ 0 0 108 -3,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.730 122.5 34.1 -96.3 -31.2 1.0 16.1 -15.7 5 5 A Q H <5S+ 0 0 62 -4,-1.1 4,-0.4 3,-0.1 -2,-0.2 0.942 129.5 26.4 -88.0 -57.3 4.4 16.5 -14.0 6 6 A a T <5S+ 0 0 0 -4,-2.6 22,-2.1 2,-0.1 5,-0.4 0.629 132.7 31.0 -88.8 -13.5 4.8 13.5 -11.7 7 7 A b T - 0 0 59 -2,-0.5 4,-0.7 13,-0.1 5,-0.2 -0.245 44.2 -88.4 -77.8 175.0 12.5 14.3 -8.8 13 13 A L H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.833 126.4 47.5 -57.0 -33.7 12.4 15.0 -5.0 14 14 A Y H > S+ 0 0 165 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.908 105.2 55.2 -80.7 -42.1 12.2 18.8 -5.4 15 15 A Q H 4 S+ 0 0 80 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.571 112.0 47.6 -66.2 -10.1 9.5 18.9 -8.1 16 16 A L H >< S+ 0 0 0 -4,-0.7 3,-1.4 -3,-0.3 -1,-0.2 0.707 101.2 63.3 -98.8 -32.0 7.3 16.9 -5.7 17 17 A E H >< S+ 0 0 57 -4,-1.0 3,-1.5 -3,-0.3 -2,-0.2 0.657 87.0 72.6 -68.6 -18.6 8.1 19.1 -2.7 18 18 A N T 3< S+ 0 0 124 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.588 90.9 61.0 -69.0 -10.7 6.5 22.1 -4.4 19 19 A Y T < S+ 0 0 37 -3,-1.4 28,-1.7 -17,-0.0 -1,-0.3 0.312 87.9 93.7 -99.0 7.4 3.2 20.2 -3.7 20 20 A c B < A 46 0A 9 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.386 360.0 360.0 -85.1 175.2 3.8 20.4 0.1 21 21 A N 0 0 102 24,-1.4 -1,-0.2 79,-0.1 24,-0.1 0.056 360.0 360.0 -94.0 360.0 2.4 23.1 2.3 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 0 111 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.3 14.3 9.8 -4.8 24 2 B V - 0 0 77 1,-0.1 -13,-0.1 -12,-0.1 0, 0.0 -0.108 360.0-137.7 -58.8 144.4 13.1 7.1 -7.3 25 3 B N + 0 0 140 -15,-0.1 2,-0.1 2,-0.1 -1,-0.1 0.144 67.4 105.7 -92.1 24.1 13.4 7.7 -11.0 26 4 B Q S S- 0 0 100 -15,-0.1 -15,-0.5 1,-0.1 2,-0.5 -0.488 80.5 -94.2-101.9 169.8 9.9 6.2 -11.9 27 5 B H - 0 0 90 -17,-0.1 2,-0.6 -2,-0.1 -20,-0.2 -0.703 40.9-149.4 -77.7 122.4 6.5 7.6 -12.9 28 6 B L + 0 0 9 -22,-2.1 2,-0.2 -2,-0.5 -19,-0.1 -0.867 27.6 161.8-101.3 114.7 4.5 8.0 -9.7 29 7 B b >> - 0 0 45 -2,-0.6 3,-1.5 -22,-0.1 4,-1.0 -0.770 38.0 -4.3-129.3 172.7 0.7 7.6 -10.2 30 8 B G H 3> S- 0 0 26 1,-0.3 4,-1.0 -2,-0.2 3,-0.4 -0.106 125.9 -11.9 54.2-132.0 -2.5 6.9 -8.3 31 9 B S H 3> S+ 0 0 33 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.671 134.3 64.5 -73.7 -17.6 -2.2 6.1 -4.6 32 10 B H H <> S+ 0 0 127 -3,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.827 100.2 51.5 -72.9 -34.4 1.6 5.7 -5.0 33 11 B L H X S+ 0 0 1 -4,-1.0 4,-2.1 -3,-0.4 -2,-0.2 0.860 111.1 47.6 -66.7 -38.9 1.8 9.4 -6.0 34 12 B V H X S+ 0 0 0 -4,-1.0 4,-1.3 2,-0.2 -2,-0.2 0.834 112.4 49.3 -70.9 -34.9 -0.1 10.4 -2.8 35 13 B E H X S+ 0 0 46 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.768 108.0 54.0 -76.6 -27.1 2.1 8.1 -0.7 36 14 B A H X S+ 0 0 7 -4,-1.5 4,-2.6 2,-0.2 3,-0.4 0.973 109.3 48.7 -66.1 -52.4 5.2 9.7 -2.2 37 15 B L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 5,-0.4 0.769 107.7 56.1 -55.1 -33.8 3.9 13.1 -1.2 38 16 B Y H X S+ 0 0 8 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.905 113.3 39.3 -66.6 -44.1 3.2 11.8 2.3 39 17 B L H < S+ 0 0 122 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.958 114.9 51.6 -69.5 -53.2 6.8 10.6 2.8 40 18 B V H < S+ 0 0 22 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.793 121.6 30.1 -58.2 -37.2 8.5 13.6 1.1 41 19 B c H >< S+ 0 0 10 -4,-1.6 3,-1.0 -5,-0.2 2,-0.4 0.880 78.8 163.2 -91.5 -46.7 6.6 16.3 3.1 42 20 B G G >< S+ 0 0 13 -4,-1.6 3,-0.5 -5,-0.4 -1,-0.2 -0.486 73.9 13.8 70.7-115.8 5.9 14.6 6.5 43 21 B E G 3 S+ 0 0 176 -2,-0.4 60,-0.3 1,-0.2 -1,-0.3 0.461 125.2 61.8 -75.0 -3.1 5.0 17.1 9.2 44 22 B R G < S- 0 0 107 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.795 92.7-158.6 -87.1 -34.7 4.4 19.8 6.6 45 23 B G < - 0 0 0 -3,-0.5 -24,-1.4 -7,-0.2 2,-0.3 -0.252 4.8-125.1 81.2-173.6 1.6 17.9 4.9 46 24 B F E -AB 20 100A 0 54,-2.1 54,-2.2 -26,-0.3 2,-0.4 -0.901 3.5-119.0-156.1 178.7 0.4 18.4 1.3 47 25 B F E - B 0 99A 52 -28,-1.7 2,-0.6 -2,-0.3 52,-0.2 -0.999 16.3-165.7-133.2 132.2 -2.4 19.1 -1.2 48 26 B Y E + B 0 98A 13 50,-2.7 50,-2.1 -2,-0.4 -2,-0.0 -0.970 17.0 163.6-117.9 109.0 -3.4 16.7 -3.9 49 27 B T - 0 0 56 -2,-0.6 -47,-0.5 48,-0.2 -46,-0.2 -0.891 13.1-173.7-127.2 98.8 -5.6 18.3 -6.5 50 28 B P + 0 0 12 0, 0.0 2,-0.1 0, 0.0 46,-0.1 0.322 37.2 126.3 -81.5 9.3 -5.6 16.0 -9.6 51 29 B K 0 0 136 44,-0.2 -48,-0.1 45,-0.1 -2,-0.1 -0.390 360.0 360.0 -85.8 148.0 -7.5 18.2 -12.1 52 30 B T 0 0 196 -2,-0.1 -1,-0.1 -49,-0.1 0, 0.0 -0.834 360.0 360.0 -99.0 360.0 -6.8 19.5 -15.5 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 63 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-130.5 -7.5 17.1 13.7 55 2 C I H >> + 0 0 16 46,-0.3 4,-1.8 2,-0.2 5,-0.6 0.860 360.0 59.3 -76.5 -38.2 -8.1 14.1 11.4 56 3 C V H 45S+ 0 0 8 46,-0.3 -1,-0.2 45,-0.3 26,-0.1 0.392 110.4 46.6 -72.2 3.9 -5.0 12.2 12.6 57 4 C E H 45S+ 0 0 124 -3,-0.4 -1,-0.2 3,-0.0 -2,-0.2 0.597 115.7 40.9-117.0 -26.9 -6.7 12.4 16.0 58 5 C Q H >X5S+ 0 0 94 -4,-0.7 4,-2.0 -3,-0.4 3,-1.0 0.941 122.5 32.9 -88.8 -57.0 -10.2 11.3 15.1 59 6 C d T 3<5S+ 0 0 14 -4,-1.8 5,-0.3 1,-0.2 -3,-0.2 0.620 118.7 54.4 -75.0 -16.8 -9.8 8.4 12.5 60 7 C e T 34 - 0 0 58 -2,-0.4 4,-1.2 1,-0.1 5,-0.1 -0.214 33.2 -97.8 -74.2 173.1 -16.4 5.6 8.0 66 13 C L H > S+ 0 0 101 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.814 128.4 50.4 -60.2 -31.4 -16.3 6.5 4.3 67 14 C Y H 4 S+ 0 0 172 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.798 106.9 52.2 -77.0 -34.1 -18.9 9.2 5.0 68 15 C Q H 4 S+ 0 0 91 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.673 108.0 54.0 -76.3 -21.4 -16.9 10.6 8.0 69 16 C L H >< S+ 0 0 15 -4,-1.2 3,-0.9 1,-0.2 -2,-0.2 0.725 90.3 73.4 -84.9 -25.2 -13.9 10.9 5.6 70 17 C E G >< S+ 0 0 84 -4,-0.8 3,-0.9 1,-0.2 -1,-0.2 0.668 84.8 69.8 -62.2 -17.4 -15.7 12.9 3.0 71 18 C N G 3 S+ 0 0 110 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.913 95.0 54.0 -60.9 -44.1 -15.6 15.9 5.4 72 19 C Y G < S+ 0 0 55 -3,-0.9 27,-0.7 -4,-0.3 -1,-0.2 0.401 92.2 91.5 -77.4 -0.5 -11.9 16.1 4.8 73 20 C f B < C 98 0A 12 -3,-0.9 25,-0.3 -4,-0.2 17,-0.0 -0.204 360.0 360.0 -84.5-178.8 -12.1 16.3 1.0 74 21 C N 0 0 103 23,-2.1 23,-0.1 -2,-0.0 -1,-0.1 0.905 360.0 360.0 -90.3 360.0 -12.2 19.6 -1.1 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 2 D V 0 0 128 0, 0.0 2,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 97.0 -1.0 5.2 18.6 77 3 D N > - 0 0 99 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.755 360.0-173.6 -89.1 100.1 1.6 5.6 15.9 78 4 D Q H > S+ 0 0 95 -2,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.517 77.9 60.3 -72.8 -6.7 0.0 8.4 14.0 79 5 D H H > S+ 0 0 100 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.886 109.3 40.0 -86.9 -43.8 2.6 8.2 11.2 80 6 D L H > S+ 0 0 116 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.874 119.5 50.0 -66.8 -35.6 1.7 4.6 10.2 81 7 D e H >X S+ 0 0 33 -4,-2.0 4,-1.2 1,-0.2 3,-0.5 0.887 107.2 51.3 -67.9 -42.2 -1.9 5.6 10.8 82 8 D G H 3X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.811 101.6 64.2 -64.5 -33.1 -1.7 8.8 8.7 83 9 D S H 3X S+ 0 0 28 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.834 106.0 42.6 -56.8 -40.3 -0.2 6.6 5.9 84 10 D H H X S+ 0 0 26 -4,-1.1 4,-2.7 -3,-0.4 3,-0.7 0.966 110.4 48.9 -68.0 -51.9 -8.4 6.4 2.0 89 15 D L H 3X>S+ 0 0 2 -4,-2.8 4,-1.2 1,-0.3 5,-0.5 0.681 105.6 58.9 -61.4 -23.9 -8.8 10.1 1.2 90 16 D Y H 3X5S+ 0 0 63 -4,-1.0 4,-1.0 -5,-0.2 -1,-0.3 0.899 114.0 37.5 -68.1 -41.9 -7.4 9.4 -2.3 91 17 D L H <<5S+ 0 0 134 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.1 0.929 117.9 46.5 -76.2 -47.8 -10.2 6.9 -2.9 92 18 D V H <5S+ 0 0 32 -4,-2.7 -3,-0.2 1,-0.1 -1,-0.1 0.840 122.7 34.2 -64.2 -40.9 -13.1 8.6 -1.2 93 19 D f H ><5S+ 0 0 13 -4,-1.2 3,-0.6 -5,-0.3 2,-0.4 0.965 81.1 169.7 -83.7 -62.1 -12.5 12.1 -2.7 94 20 D G G ><< - 0 0 28 -4,-1.0 3,-0.5 -5,-0.5 -1,-0.2 -0.742 69.0 -0.2 89.2-133.5 -11.2 11.3 -6.2 95 21 D E G 3 S+ 0 0 130 -2,-0.4 -44,-0.2 1,-0.2 -1,-0.2 0.632 124.6 68.7 -71.8 -11.9 -10.8 14.2 -8.7 96 22 D R G < S- 0 0 112 -3,-0.6 -1,-0.2 1,-0.1 -45,-0.1 0.914 93.2-163.8 -65.8 -42.2 -12.1 16.7 -6.1 97 23 D G < - 0 0 0 -3,-0.5 -23,-2.1 -8,-0.1 2,-0.3 -0.312 6.1-121.1 88.5-172.5 -8.9 16.1 -4.2 98 24 D F E -BC 48 73A 0 -50,-2.1 -50,-2.7 -25,-0.3 2,-0.5 -0.977 5.1-122.3-162.6 169.6 -7.9 16.9 -0.6 99 25 D F E -B 47 0A 108 -27,-0.7 2,-0.5 -2,-0.3 -52,-0.2 -0.991 22.4-160.8-124.6 118.1 -5.6 18.7 1.7 100 26 D Y E +B 46 0A 6 -54,-2.2 -54,-2.1 -2,-0.5 -79,-0.1 -0.907 16.6 166.7-104.2 129.4 -3.6 16.7 4.3 101 27 D T - 0 0 54 -2,-0.5 -46,-0.3 -56,-0.2 -45,-0.3 -0.939 24.8-157.2-142.1 112.4 -2.2 18.6 7.2 102 28 D P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 -46,-0.3 0.893 84.4 3.2 -52.9 -45.5 -0.9 16.5 10.2 103 29 D K 0 0 173 -60,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.987 360.0 360.0-149.0 138.3 -1.3 19.5 12.5 104 30 D T 0 0 198 -2,-0.3 -3,-0.0 -3,-0.1 0, 0.0 -0.061 360.0 360.0 38.8 360.0 -2.7 23.0 12.1