==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 09-DEC-11 3V1G . COMPND 2 MOLECULE: INSULIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Z.L.WAN,Q.X.HUA,N.P.WICKRAMASINGHE,K.HUANG,A.T.PETKOVA,S.Q.H . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 58.8 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 . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.8 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 1 3 0 0 0 0 0 1 0 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 46 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 174.7 39.0 3.0 11.7 2 2 A I H >> + 0 0 2 47,-0.4 4,-2.5 1,-0.2 5,-0.7 0.872 360.0 55.8 -69.3 -37.4 40.5 5.6 9.6 3 3 A V H >>S+ 0 0 37 47,-0.5 5,-2.8 1,-0.2 4,-1.4 0.914 110.6 43.9 -62.3 -43.3 39.2 8.5 11.6 4 4 A E H 45S+ 0 0 95 46,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.843 119.4 42.5 -71.3 -33.7 40.7 7.3 14.9 5 5 A Q H <5S+ 0 0 82 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.840 130.0 20.0 -82.4 -36.7 44.1 6.4 13.3 6 6 A a H <5S+ 0 0 1 -4,-2.5 22,-2.5 -5,-0.2 5,-0.4 0.664 134.7 31.6-110.1 -20.8 44.7 9.4 11.0 7 7 A b T < - 0 0 50 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.001 34.1-101.5 -60.6 167.2 52.2 7.9 8.5 13 13 A L H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.890 124.2 55.2 -56.6 -43.2 51.9 7.8 4.7 14 14 A Y H 4 S+ 0 0 186 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.910 109.0 46.9 -56.6 -46.1 52.1 4.0 4.9 15 15 A Q H >4 S+ 0 0 79 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.830 109.0 54.8 -66.4 -33.0 49.2 3.9 7.3 16 16 A L H >< S+ 0 0 2 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.859 103.1 57.6 -69.4 -32.2 47.3 6.3 5.0 17 17 A E G >< S+ 0 0 60 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.628 82.9 80.2 -74.2 -11.9 47.8 3.9 2.2 18 18 A N G < S+ 0 0 115 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.666 92.9 55.6 -66.4 -11.3 46.1 1.0 4.1 19 19 A Y G < S+ 0 0 25 -3,-1.3 28,-2.1 -4,-0.2 -1,-0.3 0.256 84.3 104.0-105.2 10.4 43.0 2.8 2.9 20 20 A c B < A 46 0A 11 -3,-1.9 26,-0.3 26,-0.2 25,-0.1 -0.544 360.0 360.0 -86.4 159.1 43.8 2.7 -0.8 21 21 A N 0 0 96 24,-1.9 -1,-0.1 -2,-0.2 24,-0.1 0.034 360.0 360.0 -75.6 360.0 42.0 0.2 -3.1 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 0 124 0, 0.0 -10,-0.1 0, 0.0 -11,-0.0 0.000 360.0 360.0 360.0 164.4 54.3 13.7 3.5 24 2 B V - 0 0 75 1,-0.1 -11,-0.1 -12,-0.1 4,-0.1 -0.090 360.0-149.5 -64.5 167.5 52.7 15.7 6.4 25 3 B N + 0 0 103 -13,-0.1 2,-0.3 2,-0.1 -15,-0.1 -0.518 57.8 85.3-141.2 66.3 52.7 14.5 10.0 26 4 B Q S S- 0 0 115 -15,-0.2 -15,-0.5 -17,-0.1 2,-0.4 -0.914 85.7 -58.0-153.2 178.7 49.6 15.8 11.6 27 5 B H - 0 0 99 -2,-0.3 2,-0.6 -17,-0.1 -20,-0.2 -0.530 44.7-163.5 -69.6 118.7 45.9 15.2 12.2 28 6 B L + 0 0 27 -22,-2.5 2,-0.3 -2,-0.4 -19,-0.1 -0.934 21.3 169.5-104.8 119.6 44.1 14.8 8.9 29 7 B b > - 0 0 48 -2,-0.6 3,-1.3 -22,-0.1 4,-0.1 -0.949 37.2 -14.2-135.6 155.2 40.3 15.2 9.4 30 8 B G T >> S- 0 0 21 -2,-0.3 4,-1.3 1,-0.3 3,-1.3 -0.287 127.0 -7.4 61.9-138.4 37.1 15.7 7.4 31 9 B S H 3> S+ 0 0 36 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.795 133.8 65.3 -61.0 -28.1 37.4 16.6 3.8 32 10 B H H <> S+ 0 0 130 -3,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.790 97.9 51.0 -65.0 -30.7 41.1 17.1 4.5 33 11 B L H <> S+ 0 0 1 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.874 111.2 49.7 -74.5 -35.0 41.5 13.4 5.2 34 12 B V H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.909 108.5 49.1 -70.9 -43.1 39.8 12.5 1.9 35 13 B E H X S+ 0 0 43 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.896 110.6 54.6 -61.1 -38.1 41.8 14.9 -0.3 36 14 B A H X S+ 0 0 10 -4,-1.2 4,-2.9 -5,-0.2 5,-0.2 0.954 109.9 44.8 -58.9 -49.4 44.9 13.3 1.3 37 15 B L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.4 0.903 110.6 55.8 -60.2 -41.5 43.7 9.8 0.3 38 16 B Y H X S+ 0 0 12 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.930 113.0 41.1 -56.6 -47.4 42.9 11.2 -3.1 39 17 B L H < S+ 0 0 120 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.938 119.3 42.4 -67.6 -50.4 46.4 12.4 -3.5 40 18 B V H < S+ 0 0 25 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.956 115.2 46.0 -64.4 -51.9 48.2 9.4 -2.0 41 19 B c H >< S+ 0 0 4 -4,-2.4 3,-1.3 -5,-0.2 2,-0.2 0.813 82.4 170.8 -64.4 -33.3 46.2 6.5 -3.5 42 20 B G G >< + 0 0 21 -4,-1.2 3,-1.0 -5,-0.4 -1,-0.2 -0.374 62.4 1.9 66.3-126.9 46.2 7.9 -7.0 43 21 B X G 3 S+ 0 0 107 1,-0.2 61,-0.5 -2,-0.2 -1,-0.2 0.500 124.1 65.9 -78.1 -7.1 44.9 5.7 -9.8 44 22 B R G < S- 0 0 111 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.587 95.0-147.6 -90.8 -11.0 44.0 2.8 -7.5 45 23 B G < - 0 0 0 -3,-1.0 -24,-1.9 -7,-0.2 2,-0.3 -0.199 11.3-129.6 72.5-170.9 41.3 4.9 -5.8 46 24 B F E -AB 20 101A 1 55,-1.8 55,-3.2 -26,-0.3 2,-0.4 -0.946 4.3-112.0-163.8 179.1 40.4 4.5 -2.2 47 25 B F E - B 0 100A 53 -28,-2.1 2,-0.6 -2,-0.3 53,-0.2 -0.996 14.3-162.1-132.4 132.4 37.6 4.0 0.4 48 26 B Y E + B 0 99A 5 51,-2.5 51,-2.2 -2,-0.4 -2,-0.0 -0.936 24.7 153.5-115.0 107.8 36.4 6.4 3.0 49 27 B T - 0 0 27 -2,-0.6 -47,-0.4 49,-0.2 -46,-0.2 -0.730 26.1-164.6-138.2 86.1 34.4 4.8 5.8 50 28 B P S S- 0 0 9 0, 0.0 -47,-0.5 0, 0.0 -46,-0.3 0.785 83.5 -40.9 -35.6 -45.5 34.5 6.7 9.1 51 29 B K 0 0 180 45,-0.4 46,-0.1 -50,-0.1 -2,-0.1 0.281 360.0 360.0-151.4 -54.3 33.2 3.6 10.9 52 30 B T 0 0 130 44,-0.5 46,-0.0 0, 0.0 44,-0.0 -0.135 360.0 360.0 40.9 360.0 30.4 2.0 8.8 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 66 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 171.7 32.0 5.9 -14.2 55 2 C I H > + 0 0 11 47,-0.3 4,-3.3 1,-0.3 5,-0.4 0.895 360.0 52.2 -54.5 -41.7 31.5 8.9 -11.9 56 3 C V H > S+ 0 0 3 46,-0.2 4,-1.3 1,-0.2 5,-0.3 0.890 112.8 45.7 -61.3 -39.9 34.4 10.6 -13.6 57 4 C E H 4 S+ 0 0 96 -3,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.904 121.5 35.1 -71.7 -43.3 32.7 10.0 -17.0 58 5 C Q H < S+ 0 0 86 -4,-3.1 4,-0.4 1,-0.1 -2,-0.2 0.810 127.1 35.5 -82.1 -31.2 29.2 11.1 -15.9 59 6 C d H < S+ 0 0 12 -4,-3.3 5,-0.3 -5,-0.3 -3,-0.2 0.577 117.0 46.6-102.7 -10.3 30.1 13.9 -13.5 60 7 C e S < S+ 0 0 23 -4,-1.3 -3,-0.2 -5,-0.4 3,-0.1 0.605 109.8 53.2-103.2 -17.5 33.2 15.5 -15.1 61 8 C T S S+ 0 0 113 -4,-0.5 2,-0.3 1,-0.3 -2,-0.1 0.836 130.9 0.8 -80.7 -35.8 31.8 15.6 -18.6 62 9 C S S S- 0 0 79 -4,-0.4 -1,-0.3 -5,-0.1 0, 0.0 -0.991 92.9 -77.7-152.0 155.1 28.8 17.4 -17.1 63 10 C I - 0 0 161 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.1 -0.232 37.9-158.6 -56.9 132.6 27.5 18.7 -13.7 64 11 C d - 0 0 19 -5,-0.3 2,-0.1 3,-0.0 -5,-0.0 -0.902 13.6-133.8-111.4 140.9 26.0 16.2 -11.3 65 12 C S > - 0 0 48 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.362 31.9 -98.7 -87.6 173.8 23.7 17.4 -8.6 66 13 C L H > S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.877 127.3 54.9 -56.5 -37.1 23.8 16.3 -4.9 67 14 C Y H > S+ 0 0 162 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.874 106.2 46.4 -66.0 -41.7 21.1 13.9 -5.9 68 15 C Q H 4 S+ 0 0 76 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.786 111.8 55.4 -72.8 -23.9 23.0 12.2 -8.7 69 16 C L H >< S+ 0 0 15 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.833 91.5 67.7 -78.1 -32.0 26.0 12.0 -6.4 70 17 C E H >< S+ 0 0 77 -4,-1.6 3,-2.0 1,-0.3 -1,-0.2 0.819 88.3 72.1 -55.8 -29.0 24.1 10.1 -3.6 71 18 C N T 3< S+ 0 0 117 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.918 94.7 50.6 -51.5 -46.4 24.1 7.3 -6.2 72 19 C Y T < S+ 0 0 71 -3,-1.2 28,-0.6 -4,-0.4 -1,-0.3 0.330 88.5 115.2 -77.1 6.8 27.8 6.8 -5.6 73 20 C f B < C 99 0A 23 -3,-2.0 26,-0.2 -4,-0.2 25,-0.1 -0.314 360.0 360.0 -77.3 164.4 27.6 6.6 -1.8 74 21 C N 0 0 101 24,-3.1 25,-0.2 -2,-0.0 24,-0.2 0.968 360.0 360.0 -80.9 360.0 28.4 3.5 0.3 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 0 259 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.1 40.8 18.8 -23.5 77 2 D V - 0 0 125 1,-0.1 2,-0.5 2,-0.0 -16,-0.0 0.087 360.0-108.6 -60.5 179.0 39.3 19.1 -20.0 78 3 D N > - 0 0 79 1,-0.1 4,-1.1 -18,-0.1 -1,-0.1 -0.941 25.0-176.1-125.1 115.6 41.1 17.7 -16.9 79 4 D Q H > S+ 0 0 103 -2,-0.5 4,-3.1 2,-0.2 5,-0.2 0.897 82.1 60.7 -70.2 -44.9 39.9 14.6 -15.0 80 5 D H H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.923 107.6 43.2 -50.4 -54.0 42.4 14.8 -12.2 81 6 D L H > S+ 0 0 111 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.861 114.2 52.7 -62.9 -35.7 41.3 18.3 -10.9 82 7 D e H X S+ 0 0 26 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.919 104.0 56.2 -66.6 -43.0 37.6 17.2 -11.3 83 8 D G H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.928 101.7 56.7 -53.5 -47.9 38.2 14.1 -9.2 84 9 D S H X S+ 0 0 27 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.908 111.5 43.3 -49.8 -46.8 39.5 16.2 -6.4 85 10 D H H X S+ 0 0 132 -4,-1.4 4,-1.9 -3,-0.2 -1,-0.2 0.914 111.2 55.6 -65.6 -42.6 36.2 18.1 -6.5 86 11 D L H X S+ 0 0 12 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.928 107.9 46.4 -57.2 -49.4 34.2 14.9 -6.8 87 12 D V H X S+ 0 0 0 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.775 110.4 52.9 -68.9 -24.9 35.7 13.2 -3.7 88 13 D E H X S+ 0 0 78 -4,-1.2 4,-1.3 -5,-0.3 -1,-0.2 0.862 111.2 48.1 -75.3 -33.7 35.2 16.4 -1.6 89 14 D A H X S+ 0 0 27 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.900 109.0 51.3 -71.0 -43.2 31.5 16.4 -2.7 90 15 D L H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.859 104.0 60.6 -62.7 -33.0 31.0 12.7 -1.9 91 16 D Y H X S+ 0 0 51 -4,-1.3 4,-1.1 -5,-0.2 -1,-0.2 0.931 113.3 35.4 -59.2 -45.7 32.5 13.4 1.6 92 17 D L H < S+ 0 0 133 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.918 121.0 47.5 -74.0 -44.2 29.6 15.9 2.3 93 18 D V H < S+ 0 0 22 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.910 116.2 40.4 -64.4 -48.3 26.9 14.0 0.4 94 19 D f H >< S+ 0 0 3 -4,-2.9 3,-1.8 -5,-0.2 -1,-0.2 0.796 83.4 173.6 -76.1 -29.2 27.6 10.5 1.8 95 20 D G G >< - 0 0 24 -4,-1.1 3,-1.9 -5,-0.5 -1,-0.2 -0.255 69.0 -7.1 58.8-142.8 28.2 11.6 5.4 96 21 D X G 3 S+ 0 0 119 1,-0.3 -44,-0.5 -47,-0.1 -45,-0.4 0.559 128.1 72.8 -64.9 -6.7 28.6 8.7 7.9 97 22 D R G < S- 0 0 121 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.792 87.4-166.5 -78.2 -29.4 27.6 6.3 5.1 98 23 D G < - 0 0 0 -3,-1.9 -24,-3.1 -7,-0.2 2,-0.3 -0.078 3.4-135.6 71.7-174.3 31.0 6.8 3.4 99 24 D F E -BC 48 73A 1 -51,-2.2 -51,-2.5 -26,-0.2 2,-0.4 -0.971 8.4-114.3-167.5 176.7 31.9 5.8 -0.1 100 25 D F E -B 47 0A 107 -28,-0.6 2,-0.6 -2,-0.3 -53,-0.2 -0.988 21.5-152.0-125.8 133.9 34.5 4.2 -2.4 101 26 D Y E +B 46 0A 9 -55,-3.2 -55,-1.8 -2,-0.4 -80,-0.2 -0.944 21.0 169.8-111.4 121.1 36.3 6.2 -5.1 102 27 D T + 0 0 85 -2,-0.6 -47,-0.3 -57,-0.2 -46,-0.2 -0.944 10.6 162.5-136.2 113.1 37.4 4.2 -8.1 103 28 D P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.878 69.5 -15.2 -87.6 -85.7 38.8 5.8 -11.4 104 29 D K 0 0 170 -61,-0.5 -59,-0.1 1,-0.2 0, 0.0 -0.976 360.0 360.0-132.6 122.8 40.6 3.2 -13.5 105 30 D T 0 0 164 -2,-0.4 -1,-0.2 -3,-0.1 -60,-0.1 0.948 360.0 360.0 47.4 360.0 41.9 -0.3 -12.3