==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 14-JAN-08 3BXQ . COMPND 2 MOLECULE: INSULIN A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.L.WAN,K.HUANG,S.Q.HU,J.WHITTAKER,M.A.WEISS . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 66.7 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 17.6 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 . 1 1.0 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 2 0 0 1 0 0 0 1 1 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 60 0, 0.0 4,-3.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-173.4 19.2 -0.5 15.2 2 2 A I H > + 0 0 9 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 360.0 56.8 -60.5 -38.2 17.3 1.7 12.8 3 3 A V H > S+ 0 0 18 46,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.901 114.6 38.7 -61.3 -40.0 14.4 -0.7 12.5 4 4 A E H >> S+ 0 0 44 -3,-0.3 4,-3.0 2,-0.2 3,-0.5 0.921 115.2 52.2 -76.5 -45.5 13.9 -0.6 16.3 5 5 A Q H 3X S+ 0 0 67 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.914 106.4 53.5 -57.1 -48.3 14.6 3.1 16.7 6 6 A a H 3< S+ 0 0 0 -4,-2.6 22,-2.3 -5,-0.2 5,-0.3 0.794 118.3 35.8 -59.9 -29.4 12.1 4.1 14.1 7 7 A b H << S+ 0 0 33 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.885 123.9 36.4 -93.5 -43.9 9.3 2.2 15.8 8 8 A T H < S+ 0 0 118 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.761 138.3 6.0 -79.9 -24.6 10.0 2.5 19.5 9 9 A S S < S- 0 0 65 -4,-2.1 2,-0.3 -5,-0.5 -3,-0.1 0.114 98.2 -85.3-121.4-126.3 11.2 6.1 19.1 10 10 A I - 0 0 83 17,-0.1 2,-0.3 -2,-0.1 17,-0.2 -0.963 35.5-165.3-150.0 159.6 11.1 8.3 16.0 11 11 A a B -A 26 0A 1 15,-2.5 15,-2.0 -2,-0.3 2,-0.2 -0.972 15.0-121.8-148.3 161.5 13.5 8.7 13.1 12 12 A S > - 0 0 16 -2,-0.3 4,-1.7 13,-0.2 3,-0.2 -0.650 25.2-119.2-103.7 161.2 14.2 11.0 10.1 13 13 A L H > S+ 0 0 40 11,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.791 116.2 59.8 -67.1 -25.9 14.4 10.3 6.4 14 14 A Y H 4 S+ 0 0 138 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.866 103.7 48.8 -70.1 -36.5 18.0 11.4 6.6 15 15 A Q H >4 S+ 0 0 74 -3,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.884 108.5 54.8 -69.1 -36.3 18.8 8.6 9.0 16 16 A L H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.837 94.8 68.8 -63.9 -33.4 17.0 6.2 6.7 17 17 A E G >< S+ 0 0 82 -4,-1.4 3,-1.7 1,-0.3 -1,-0.2 0.734 82.3 73.5 -58.1 -24.6 19.2 7.3 3.8 18 18 A N G < S+ 0 0 129 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.606 94.8 55.2 -65.7 -7.7 22.2 5.6 5.6 19 19 A Y G < S+ 0 0 87 -3,-2.2 28,-1.8 -4,-0.1 -1,-0.3 0.120 80.3 107.9-116.0 21.9 20.6 2.3 4.6 20 20 A c B < B 46 0B 22 -3,-1.7 26,-0.3 26,-0.2 25,-0.1 -0.656 360.0 360.0 -91.8 154.1 20.3 2.9 0.8 21 21 A N 0 0 101 24,-2.2 -1,-0.1 -2,-0.2 24,-0.1 -0.150 360.0 360.0 -79.4 360.0 22.7 0.9 -1.4 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 0 184 0, 0.0 2,-0.3 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 172.6 11.1 16.8 5.9 24 2 B V - 0 0 105 -13,-0.0 -11,-0.4 1,-0.0 2,-0.1 -0.871 360.0-105.6-132.4 165.3 9.9 15.7 9.3 25 3 B N + 0 0 100 -2,-0.3 2,-0.3 -13,-0.1 -13,-0.2 -0.453 44.3 170.1 -83.6 162.7 10.6 13.0 11.9 26 4 B Q B -A 11 0A 49 -15,-2.0 -15,-2.5 -2,-0.1 2,-0.5 -0.992 38.4-101.4-166.4 166.5 8.2 10.1 12.3 27 5 B R - 0 0 173 -2,-0.3 2,-0.5 -17,-0.2 -20,-0.2 -0.870 36.2-176.3 -98.1 125.2 7.4 6.8 13.8 28 6 B L + 0 0 24 -22,-2.3 2,-0.3 -2,-0.5 -20,-0.1 -0.944 5.2 175.4-129.1 110.3 7.8 3.9 11.3 29 7 B b > - 0 0 36 -2,-0.5 3,-1.8 -22,-0.1 4,-0.3 -0.829 48.9 -27.3-115.0 153.4 6.8 0.4 12.4 30 8 B G T >> S- 0 0 27 -2,-0.3 3,-1.2 1,-0.3 4,-0.9 -0.143 129.3 -1.0 50.6-132.1 6.7 -2.8 10.5 31 9 B S H 3> S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.722 123.9 71.9 -62.3 -23.5 6.0 -2.6 6.8 32 10 B H H <> S+ 0 0 112 -3,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.851 95.3 52.1 -63.4 -33.1 5.8 1.2 7.1 33 11 B L H <> S+ 0 0 1 -3,-1.2 4,-2.5 -4,-0.3 -1,-0.2 0.911 108.7 50.4 -68.0 -41.2 9.5 1.4 7.6 34 12 B V H X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.879 109.6 50.9 -63.6 -38.3 10.1 -0.7 4.5 35 13 B E H X S+ 0 0 69 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.907 110.4 49.6 -65.3 -40.3 7.8 1.6 2.5 36 14 B A H X S+ 0 0 13 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.908 110.2 49.9 -64.6 -43.5 9.7 4.7 3.7 37 15 B L H X S+ 0 0 3 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.906 109.3 52.7 -61.8 -41.2 13.1 3.1 2.8 38 16 B Y H X S+ 0 0 58 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.933 112.6 44.4 -59.7 -46.3 11.7 2.3 -0.7 39 17 B L H < S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.906 117.4 43.9 -66.8 -41.5 10.6 5.9 -1.2 40 18 B V H < S+ 0 0 31 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 121.8 36.5 -71.3 -41.7 13.9 7.4 0.2 41 19 B c H >< S+ 0 0 4 -4,-2.9 3,-2.0 -5,-0.2 -2,-0.2 0.817 79.3 166.6 -84.6 -32.6 16.3 5.1 -1.6 42 20 B G G >< S- 0 0 18 -4,-2.2 3,-1.8 -5,-0.4 -1,-0.2 -0.217 72.9 -0.4 55.4-136.6 14.5 4.6 -4.9 43 21 B E G 3 S+ 0 0 158 1,-0.3 61,-0.6 60,-0.1 -1,-0.3 0.663 124.4 73.5 -58.9 -17.4 16.7 3.0 -7.6 44 22 B R G < S- 0 0 101 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.812 92.0-151.3 -67.8 -29.1 19.6 2.9 -5.2 45 23 B G < - 0 0 0 -3,-1.8 -24,-2.2 -7,-0.2 2,-0.3 -0.145 8.5-134.4 80.0 176.8 17.9 0.0 -3.3 46 24 B F E -BC 20 101B 1 55,-2.0 55,-2.9 -26,-0.3 2,-0.4 -0.976 7.4-115.7-161.7 170.0 18.4 -0.6 0.4 47 25 B F E - C 0 100B 82 -28,-1.8 2,-0.7 -2,-0.3 53,-0.2 -0.964 18.2-156.1-117.1 133.0 19.0 -3.2 3.1 48 26 B Y E + C 0 99B 11 51,-3.1 51,-1.8 -2,-0.4 -2,-0.0 -0.945 22.2 169.6-108.9 110.9 16.4 -3.9 5.8 49 27 B T - 0 0 81 -2,-0.7 -46,-0.4 49,-0.2 -47,-0.2 -0.764 11.2-170.6-131.7 90.7 18.2 -5.3 8.8 50 28 B P - 0 0 21 0, 0.0 -48,-0.0 0, 0.0 -2,-0.0 -0.301 35.6 -90.6 -72.9 161.9 16.2 -5.7 12.1 51 29 B K 0 0 118 -50,-0.1 47,-0.0 1,-0.0 0, 0.0 -0.200 360.0 360.0 -68.2 163.9 17.9 -6.5 15.3 52 30 B T 0 0 172 45,-0.0 -1,-0.0 0, 0.0 0, 0.0 0.603 360.0 360.0 -11.8 360.0 18.4 -10.1 16.5 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 33 0, 0.0 4,-0.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 177.8 17.1 -9.3 -11.1 55 2 C I T 4 + 0 0 3 47,-0.3 3,-0.5 1,-0.2 5,-0.2 0.817 360.0 49.0 -46.0 -36.4 14.3 -9.4 -8.5 56 3 C V T >>>S+ 0 0 34 49,-0.2 3,-2.5 46,-0.2 4,-1.6 0.955 100.8 60.9 -71.0 -49.8 12.5 -6.8 -10.6 57 4 C E T 345S+ 0 0 99 1,-0.3 -1,-0.2 46,-0.2 -2,-0.2 0.617 113.4 39.8 -53.7 -13.1 12.9 -8.5 -14.0 58 5 C Q T 3<5S+ 0 0 59 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.258 121.8 36.6-122.5 12.1 10.9 -11.4 -12.6 59 6 C d T <45S+ 0 0 1 -3,-2.5 22,-1.2 -5,-0.2 5,-0.3 0.651 121.8 27.6-127.7 -49.7 8.2 -9.6 -10.5 60 7 C e T <5S+ 0 0 45 -4,-1.6 -3,-0.1 20,-0.2 22,-0.1 0.907 131.7 33.7 -85.3 -45.4 6.9 -6.4 -12.2 61 8 C T S -E 78 0C 10 -2,-0.3 4,-1.6 13,-0.3 3,-0.3 -0.672 25.2-119.1-102.2 158.6 6.5 -16.5 -6.3 66 13 C L H > S+ 0 0 35 11,-0.7 4,-0.9 1,-0.2 -1,-0.1 0.790 116.5 61.7 -64.3 -24.9 6.8 -15.8 -2.5 67 14 C Y H >4 S+ 0 0 135 10,-0.2 3,-0.6 1,-0.2 4,-0.3 0.913 103.1 47.6 -66.1 -42.7 9.2 -18.8 -2.6 68 15 C Q H >4 S+ 0 0 64 -3,-0.3 3,-1.8 1,-0.2 4,-0.2 0.847 102.8 63.3 -66.7 -34.2 11.5 -17.0 -5.0 69 16 C L H >< S+ 0 0 1 -4,-1.6 3,-2.1 1,-0.3 -1,-0.2 0.801 88.6 70.1 -60.8 -27.7 11.3 -13.9 -2.8 70 17 C E G X< S+ 0 0 77 -4,-0.9 3,-1.6 -3,-0.6 -1,-0.3 0.761 82.9 73.3 -60.3 -23.9 13.0 -15.9 -0.0 71 18 C N G < S+ 0 0 113 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.714 95.1 51.6 -62.6 -20.4 16.1 -15.8 -2.2 72 19 C Y G < S+ 0 0 36 -3,-2.1 28,-1.7 -4,-0.2 -1,-0.3 0.308 84.9 106.1-101.9 7.0 16.5 -12.1 -1.2 73 20 C f B < D 99 0B 14 -3,-1.6 26,-0.3 26,-0.2 25,-0.1 -0.520 360.0 360.0 -81.2 156.6 16.3 -12.6 2.6 74 21 C N 0 0 100 24,-2.0 -1,-0.1 23,-0.2 24,-0.1 -0.292 360.0 360.0 -96.7 360.0 19.5 -12.3 4.6 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 0 171 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 0.000 360.0 360.0 360.0-164.8 1.9 -21.1 -3.1 77 2 D V - 0 0 101 -13,-0.1 -11,-0.7 -10,-0.0 2,-0.3 -0.565 360.0-105.6-118.1-177.9 1.2 -19.3 -6.4 78 3 D N E +E 65 0C 86 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.3 -0.868 39.5 164.2-113.5 147.8 3.0 -16.8 -8.6 79 4 D Q E -E 64 0C 84 -15,-2.8 -15,-3.3 -2,-0.3 2,-0.5 -0.955 38.9 -92.4-154.1 171.0 2.1 -13.1 -9.0 80 5 D R - 0 0 135 -2,-0.3 2,-0.4 -17,-0.2 -20,-0.2 -0.787 34.4-177.4 -94.5 128.7 3.1 -9.7 -10.2 81 6 D L + 0 0 16 -22,-1.2 2,-0.3 -2,-0.5 -20,-0.1 -0.935 6.3 178.5-131.1 107.4 4.8 -7.4 -7.6 82 7 D e >> - 0 0 44 -2,-0.4 3,-1.8 -22,-0.1 4,-0.6 -0.762 48.2 -32.3-108.9 154.3 5.8 -3.9 -8.7 83 8 D G H >> S+ 0 0 25 -2,-0.3 4,-1.1 1,-0.3 3,-1.1 -0.029 128.6 1.5 43.4-128.5 7.4 -1.0 -6.8 84 9 D S H 3> S+ 0 0 39 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.735 125.9 67.7 -62.6 -23.1 6.5 -0.8 -3.1 85 10 D H H <> S+ 0 0 127 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.865 98.2 52.6 -66.9 -32.9 4.3 -3.9 -3.4 86 11 D L H S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.5 0.906 109.3 50.7 -62.2 -41.7 9.8 -9.1 0.9 91 16 D Y H X5S+ 0 0 67 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.7 47.6 -61.0 -45.3 9.1 -7.7 4.4 92 17 D L H <5S+ 0 0 131 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 118.4 40.0 -62.3 -44.4 6.3 -10.3 4.8 93 18 D V H <5S+ 0 0 30 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.885 126.9 30.4 -73.9 -40.9 8.4 -13.2 3.6 94 19 D f H ><5S+ 0 0 5 -4,-3.0 3,-2.2 -5,-0.2 -3,-0.2 0.842 78.0 157.4 -90.0 -38.1 11.7 -12.3 5.3 95 20 D G G >< + 0 0 23 -2,-0.6 3,-0.6 -57,-0.2 -47,-0.3 -0.768 12.0 172.0-130.0 89.2 18.4 -4.1 -5.2 103 28 D P T 3 S+ 0 0 25 0, 0.0 -47,-0.2 0, 0.0 -46,-0.2 0.877 79.2 61.0 -58.6 -44.0 16.7 -2.9 -8.4 104 29 D K T 3 0 0 172 -61,-0.6 -60,-0.1 -48,-0.1 -61,-0.0 0.801 360.0 360.0 -56.9 -33.9 19.9 -2.1 -10.2 105 30 D T < 0 0 121 -3,-0.6 -49,-0.2 -49,-0.0 -3,-0.0 -0.171 360.0 360.0 -66.3 360.0 21.1 -5.8 -10.0