==== 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 16-DEC-03 1RWE . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.WAN,B.XU,Y.C.CHU,B.LI,S.H.NAKAGAWA,Y.QU,S.Q.HU,P.G.KATSOYA . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6474.0 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 . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 2 0 0 0 0 0 1 0 0 0 0 0 1 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 37 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 168.5 -1.1 20.0 -11.4 2 2 A I H > + 0 0 0 47,-0.3 4,-3.1 1,-0.2 5,-0.5 0.829 360.0 60.4 -58.8 -33.9 0.9 17.2 -9.7 3 3 A V H >>S+ 0 0 30 46,-0.2 5,-2.3 2,-0.2 4,-2.0 0.934 107.0 42.7 -62.6 -47.5 -0.7 14.6 -11.9 4 4 A E H 45S+ 0 0 94 -3,-0.3 5,-0.5 3,-0.2 -1,-0.2 0.887 121.7 41.7 -67.0 -37.4 0.6 16.0 -15.2 5 5 A Q H <5S+ 0 0 85 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.866 129.3 22.9 -78.8 -37.2 4.0 16.7 -13.7 6 6 A a H <5S+ 0 0 0 -4,-3.1 22,-2.5 -5,-0.2 5,-0.5 0.649 131.5 31.3-108.0 -17.0 4.6 13.6 -11.7 7 7 A b T <5S+ 0 0 21 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.796 126.2 36.7-106.3 -48.9 2.5 10.9 -13.2 8 8 A H S - 0 0 51 -2,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.377 38.8 -99.3 -79.9 168.6 12.4 14.9 -9.0 13 13 A L H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.914 127.3 51.3 -57.6 -43.0 12.3 15.1 -5.3 14 14 A Y H 4 S+ 0 0 170 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.839 107.8 53.2 -63.4 -33.2 12.4 18.9 -5.4 15 15 A Q H >4 S+ 0 0 86 1,-0.2 3,-1.0 -3,-0.2 -1,-0.2 0.890 108.1 50.1 -68.1 -40.9 9.5 18.9 -7.9 16 16 A L H >< S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.866 101.0 63.6 -66.3 -36.1 7.5 16.7 -5.5 17 17 A E G >< S+ 0 0 66 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.626 82.8 78.7 -65.2 -12.3 8.2 19.1 -2.6 18 18 A N G < S+ 0 0 117 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.667 92.3 53.5 -68.8 -14.7 6.3 21.9 -4.6 19 19 A Y G < S+ 0 0 35 -3,-2.0 28,-2.0 -4,-0.2 -1,-0.3 0.282 84.8 104.6-104.9 11.9 3.1 20.2 -3.3 20 20 A c B < A 46 0A 13 -3,-1.5 26,-0.3 26,-0.2 25,-0.1 -0.548 360.0 360.0 -85.7 158.2 4.0 20.2 0.4 21 21 A N 0 0 101 24,-1.7 -1,-0.1 80,-0.2 23,-0.1 -0.296 360.0 360.0 -77.9 360.0 2.2 22.7 2.6 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 0 129 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.8 15.0 9.2 -4.8 24 2 B V - 0 0 73 1,-0.1 2,-0.4 -12,-0.1 -11,-0.0 -0.154 360.0-149.5 -55.0 145.6 13.1 7.0 -7.3 25 3 B N + 0 0 117 2,-0.1 2,-0.3 -13,-0.1 -1,-0.1 -0.651 55.0 113.0-118.1 70.1 13.1 8.1 -10.9 26 4 B Q S S- 0 0 122 -2,-0.4 2,-0.6 -15,-0.2 -15,-0.5 -0.877 76.5 -88.9-136.8 165.7 9.7 6.7 -12.0 27 5 B H - 0 0 104 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.692 44.0-155.8 -74.6 120.7 6.2 7.8 -13.0 28 6 B L + 0 0 26 -22,-2.5 2,-0.3 -2,-0.6 -19,-0.1 -0.902 20.1 171.4-107.7 115.7 4.3 8.1 -9.8 29 7 B b > - 0 0 46 -2,-0.6 3,-1.8 -22,-0.1 4,-0.3 -0.889 40.0 -23.5-127.9 155.4 0.5 7.7 -10.2 30 8 B G T >> S- 0 0 16 -2,-0.3 4,-1.7 1,-0.3 3,-0.7 -0.208 126.5 -1.9 55.2-131.9 -2.6 7.5 -8.0 31 9 B S H 3> S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.741 133.2 61.2 -64.6 -21.3 -2.2 6.1 -4.5 32 10 B H H <> S+ 0 0 137 -3,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.853 103.7 47.8 -72.5 -34.6 1.5 5.7 -5.2 33 11 B L H <> S+ 0 0 0 -3,-0.7 4,-2.0 -4,-0.3 -2,-0.2 0.867 111.0 52.5 -72.1 -36.3 1.9 9.5 -5.9 34 12 B V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.912 109.1 47.6 -66.7 -42.1 0.0 10.2 -2.7 35 13 B E H X S+ 0 0 53 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.899 108.7 55.6 -66.2 -38.1 2.3 7.9 -0.6 36 14 B A H X S+ 0 0 11 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.929 110.7 45.0 -58.8 -44.7 5.3 9.6 -2.2 37 15 B L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.915 109.5 55.2 -64.6 -43.6 4.0 13.0 -1.0 38 16 B Y H X S+ 0 0 14 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.930 114.3 41.1 -54.0 -47.7 3.2 11.7 2.4 39 17 B L H < S+ 0 0 106 -4,-2.6 3,-0.3 2,-0.2 -2,-0.2 0.940 118.1 45.3 -65.9 -51.5 6.8 10.5 2.8 40 18 B V H < S+ 0 0 21 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.895 113.0 47.9 -62.8 -44.3 8.4 13.5 1.2 41 19 B c H >< S+ 0 0 1 -4,-3.1 3,-1.7 -5,-0.2 -1,-0.2 0.704 80.5 177.2 -76.1 -19.6 6.4 16.2 3.0 42 20 B G G >< - 0 0 40 -4,-1.0 3,-1.5 -5,-0.3 -1,-0.2 -0.210 67.9 -5.5 55.0-139.2 6.7 14.9 6.5 43 21 B E G 3 S+ 0 0 187 1,-0.3 -1,-0.3 59,-0.1 61,-0.1 0.659 125.5 72.9 -62.3 -18.0 5.1 17.0 9.3 44 22 B R G < S- 0 0 115 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.784 88.3-155.0 -69.0 -27.5 4.3 19.7 6.7 45 23 B G < - 0 0 1 -3,-1.5 -24,-1.7 -4,-0.2 2,-0.3 -0.267 9.8-129.9 76.8-172.3 1.6 17.7 5.2 46 24 B F E -AB 20 101A 0 55,-1.8 55,-3.4 -26,-0.3 2,-0.4 -0.930 2.8-111.3-162.3-179.2 0.6 18.3 1.6 47 25 B F E - B 0 100A 50 -28,-2.0 2,-0.6 -2,-0.3 53,-0.2 -0.998 16.9-162.1-132.0 131.6 -2.2 19.0 -0.9 48 26 B Y E + B 0 99A 11 51,-3.1 51,-2.3 -2,-0.4 -2,-0.0 -0.942 20.1 161.9-115.2 108.8 -3.3 16.5 -3.6 49 27 B T + 0 0 27 -2,-0.6 -47,-0.3 49,-0.2 -46,-0.2 -0.761 10.1 168.7-132.0 88.0 -5.3 18.2 -6.3 50 28 B P S S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 0.713 79.1 55.4 -69.3 -21.2 -5.6 16.2 -9.6 51 29 B K 0 0 123 45,-0.6 46,-0.1 -48,-0.0 -2,-0.1 0.979 360.0 360.0 -76.5 -59.8 -8.3 18.5 -10.9 52 30 B T 0 0 136 45,-0.1 45,-0.0 -50,-0.0 -3,-0.0 0.941 360.0 360.0 51.7 360.0 -6.6 22.0 -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 29 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-167.6 -7.3 17.3 13.5 55 2 C I H > + 0 0 7 47,-0.5 4,-2.8 49,-0.4 5,-0.3 0.776 360.0 56.1 -67.5 -27.1 -7.8 14.4 11.2 56 3 C V H >>S+ 0 0 8 46,-0.2 4,-2.4 48,-0.2 5,-1.1 0.940 111.0 42.9 -69.8 -46.0 -5.3 12.3 13.3 57 4 C E H 45S+ 0 0 78 3,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.917 121.5 41.8 -63.3 -43.9 -7.4 12.9 16.4 58 5 C Q H <5S+ 0 0 124 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.864 131.1 20.4 -73.3 -36.0 -10.6 12.3 14.6 59 6 C d H <5S+ 0 0 11 -4,-2.8 5,-0.3 -5,-0.2 -3,-0.2 0.489 124.0 45.9-119.8 -4.9 -9.6 9.3 12.4 60 7 C e T <5S+ 0 0 36 -4,-2.4 -3,-0.2 -5,-0.3 -4,-0.1 0.701 115.1 46.0-106.4 -25.9 -6.5 7.6 14.1 61 8 C H S - 0 0 50 -2,-0.5 4,-2.4 1,-0.1 3,-0.2 -0.231 37.4 -97.0 -73.2 172.0 -15.9 5.5 7.5 66 13 C L H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.867 128.3 54.8 -59.2 -33.9 -15.5 6.6 3.9 67 14 C Y H 4 S+ 0 0 173 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.861 108.6 45.7 -67.7 -38.3 -18.3 9.1 4.6 68 15 C Q H >4 S+ 0 0 93 -3,-0.2 3,-1.1 1,-0.2 -1,-0.2 0.862 110.9 54.4 -72.3 -36.0 -16.5 10.6 7.6 69 16 C L H >< S+ 0 0 14 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.838 94.7 68.4 -65.7 -32.8 -13.3 10.8 5.6 70 17 C E G >< S+ 0 0 74 -4,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.749 82.3 75.6 -59.6 -21.8 -15.1 12.7 2.9 71 18 C N G < S+ 0 0 133 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.719 93.8 52.6 -63.3 -18.6 -15.4 15.6 5.4 72 19 C Y G < S+ 0 0 71 -3,-2.3 28,-0.8 -4,-0.2 -1,-0.3 0.372 88.0 106.3 -98.4 3.2 -11.7 16.2 4.6 73 20 C f B < C 99 0A 20 -3,-1.9 26,-0.3 26,-0.2 25,-0.1 -0.421 360.0 360.0 -80.7 159.6 -12.0 16.4 0.9 74 21 C N 0 0 100 24,-2.5 25,-0.1 -2,-0.1 24,-0.1 0.937 360.0 360.0 -68.4 360.0 -11.8 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 1 D F 0 0 237 0, 0.0 2,-1.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 161.8 6.2 2.4 18.0 77 2 D V > + 0 0 94 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.469 360.0 159.5 -89.2 65.7 5.3 5.2 15.6 78 3 D N H > + 0 0 119 -2,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.899 70.0 50.8 -53.9 -49.2 1.5 4.5 15.5 79 4 D Q H > S+ 0 0 92 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 107.6 53.0 -61.2 -37.1 0.5 7.9 14.3 80 5 D H H > S+ 0 0 91 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.866 112.3 45.4 -67.8 -36.2 3.0 7.9 11.4 81 6 D L H >X S+ 0 0 96 -4,-1.6 4,-1.4 2,-0.2 3,-0.5 0.928 110.8 52.0 -72.5 -46.1 1.7 4.5 10.2 82 7 D e H 3X S+ 0 0 33 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.914 104.7 57.9 -56.7 -43.2 -2.0 5.5 10.5 83 8 D G H 3X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.860 99.6 57.8 -55.5 -38.2 -1.4 8.6 8.4 84 9 D S H < S+ 0 0 4 -4,-2.7 3,-1.9 -5,-0.2 4,-0.3 0.763 79.9 167.4 -74.5 -27.5 -12.1 12.3 -2.6 95 20 D G G >< S- 0 0 33 -4,-1.4 3,-1.4 -5,-0.4 -1,-0.2 -0.173 70.4 -2.0 50.9-133.3 -11.3 11.3 -6.2 96 21 D E G 3 S+ 0 0 144 1,-0.3 -45,-0.6 -46,-0.1 -1,-0.3 0.704 126.3 69.1 -61.9 -22.7 -11.1 14.2 -8.6 97 22 D R G < S- 0 0 91 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.776 89.0-162.0 -69.1 -26.6 -12.0 16.7 -5.8 98 23 D G < - 0 0 0 -3,-1.4 -24,-2.5 -4,-0.3 2,-0.3 -0.106 0.3-129.4 72.6-174.7 -8.6 16.1 -4.1 99 24 D F E -BC 48 73A 0 -51,-2.3 -51,-3.1 -26,-0.3 2,-0.4 -0.989 6.3-117.3-166.9 167.3 -7.7 17.0 -0.5 100 25 D F E -B 47 0A 100 -28,-0.8 2,-0.5 -2,-0.3 -53,-0.2 -0.938 22.9-154.9-114.1 138.0 -5.4 18.6 1.9 101 26 D Y E +B 46 0A 3 -55,-3.4 -55,-1.8 -2,-0.4 -80,-0.2 -0.969 20.7 165.1-117.1 118.0 -3.5 16.5 4.4 102 27 D T - 0 0 58 -2,-0.5 -47,-0.5 -57,-0.2 -46,-0.2 -0.866 23.1-163.6-134.1 98.8 -2.4 18.4 7.6 103 28 D P S S+ 0 0 34 0, 0.0 -47,-0.1 0, 0.0 2,-0.1 0.514 73.2 77.3 -60.1 -0.2 -1.4 16.1 10.5 104 29 D K 0 0 167 -61,-0.1 -49,-0.4 1,-0.1 -48,-0.2 -0.188 360.0 360.0 -98.3-168.3 -1.7 19.2 12.7 105 30 D T 0 0 148 -51,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 0.935 360.0 360.0 79.8 360.0 -4.6 21.2 14.2