==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 10-MAY-82 2INS . COMPND 2 MOLECULE: DES-PHE B1 INSULIN (CHAIN A); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.D.SMITH,W.L.DUAX,E.J.DODSON,G.G.DODSON,R.A.G.DEGRAAF,C.D.R . 100 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 70.0 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 . 11 11.0 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 31.0 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 2 1 0 1 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 . 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 64 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-131.6 -10.3 16.7 13.2 2 2 A I H > + 0 0 14 1,-0.2 4,-4.0 2,-0.2 5,-0.4 0.910 360.0 32.4 -38.3 -74.5 -10.1 14.3 10.3 3 3 A V H > S+ 0 0 17 45,-0.4 4,-1.9 2,-0.2 5,-0.4 0.946 119.9 51.6 -57.0 -50.6 -6.7 12.8 10.9 4 4 A E H >> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.975 121.1 35.6 -46.5 -72.3 -6.9 13.1 14.6 5 5 A Q H 3X S+ 0 0 64 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.867 109.7 56.9 -44.4 -61.3 -10.3 11.3 14.6 6 6 A a H 3< S+ 0 0 0 -4,-4.0 21,-2.0 -5,-0.2 5,-0.3 0.852 122.7 32.5 -50.1 -28.6 -10.0 8.8 11.8 7 7 A b H << S+ 0 0 39 -4,-1.9 -2,-0.2 -3,-0.8 -1,-0.2 0.968 122.5 40.9 -89.4 -60.4 -7.0 7.5 13.7 8 8 A A H < S+ 0 0 90 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.914 135.0 2.3 -47.6 -58.8 -7.7 8.0 17.4 9 9 A S S < S- 0 0 65 -4,-1.8 2,-0.3 -5,-0.3 18,-0.1 0.263 101.3 -73.1-104.1-131.2 -11.4 7.0 17.1 10 10 A V - 0 0 65 16,-0.1 2,-0.3 -2,-0.0 16,-0.2 -0.915 38.0-169.3-132.9 155.0 -13.3 5.8 14.1 11 11 A a B -A 25 0A 0 14,-2.2 14,-2.5 -2,-0.3 2,-0.2 -0.991 14.4-135.6-151.9 144.2 -14.6 7.4 10.9 12 12 A S >> - 0 0 19 -2,-0.3 4,-1.3 12,-0.2 3,-0.9 -0.599 30.4-113.2 -95.1 158.2 -16.9 6.6 8.0 13 13 A L H 3> S+ 0 0 79 10,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.641 114.4 67.1 -62.1 -20.8 -16.2 7.3 4.3 14 14 A Y H 34 S+ 0 0 173 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.891 102.1 45.0 -69.3 -35.9 -19.1 9.7 4.4 15 15 A Q H X4 S+ 0 0 73 -3,-0.9 3,-1.5 1,-0.2 -2,-0.2 0.852 106.6 62.0 -71.6 -34.2 -17.2 12.0 6.7 16 16 A L H >< S+ 0 0 0 -4,-1.3 3,-2.5 1,-0.3 4,-0.2 0.806 89.9 68.2 -58.9 -36.1 -14.2 11.6 4.5 17 17 A E G >< S+ 0 0 87 -4,-1.2 3,-1.5 1,-0.3 -1,-0.3 0.744 80.6 76.4 -63.8 -14.6 -16.0 13.2 1.6 18 18 A N G < S+ 0 0 133 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.632 91.4 60.3 -69.6 -3.6 -15.9 16.4 3.4 19 19 A Y G < S+ 0 0 52 -3,-2.5 27,-1.4 -4,-0.1 -1,-0.2 0.537 81.0 88.0 -99.4 -7.0 -12.3 16.6 2.3 20 20 A c B < B 45 0B 16 -3,-1.5 25,-0.2 -4,-0.2 26,-0.0 -0.324 360.0 360.0 -78.3-172.7 -12.4 16.5 -1.3 21 21 A N 0 0 88 23,-0.6 24,-0.1 19,-0.1 -1,-0.1 -0.352 360.0 360.0-127.2 360.0 -12.7 19.7 -3.2 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 2 B V 0 0 161 0, 0.0 -10,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-166.3 -19.4 1.2 8.0 24 3 B N - 0 0 107 -12,-0.2 2,-0.4 -11,-0.1 -12,-0.2 -0.850 360.0-155.7-114.2 145.1 -16.7 2.8 10.2 25 4 B Q B -A 11 0A 96 -14,-2.5 -14,-2.2 -2,-0.3 2,-0.9 -0.978 15.8-146.8-131.4 136.9 -13.0 2.7 9.6 26 5 B H + 0 0 115 -2,-0.4 2,-0.5 -16,-0.2 -19,-0.2 -0.882 36.4 174.3 -97.9 103.6 -10.0 3.0 11.9 27 6 B L + 0 0 11 -21,-2.0 2,-0.3 -2,-0.9 -19,-0.1 -0.954 7.9 174.1-124.0 116.2 -7.5 4.7 9.6 28 7 B b > - 0 0 39 -2,-0.5 3,-2.0 -21,-0.1 4,-0.2 -0.866 47.5 -26.2-122.5 157.3 -4.1 6.0 10.5 29 8 B G T >> S+ 0 0 21 -2,-0.3 4,-1.2 1,-0.3 3,-1.0 -0.142 128.0 1.3 52.1-130.2 -1.0 7.5 8.7 30 9 B S H 3> S+ 0 0 29 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.744 128.7 64.3 -59.9 -21.2 -0.7 6.6 5.1 31 10 B H H X> S+ 0 0 128 -3,-2.0 4,-1.9 1,-0.2 3,-0.6 0.879 96.3 57.9 -71.9 -30.5 -3.8 4.5 5.3 32 11 B L H <> S+ 0 0 0 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.940 105.6 50.5 -58.5 -49.7 -5.8 7.7 5.9 33 12 B V H 3X S+ 0 0 2 -4,-1.2 4,-1.6 1,-0.2 -1,-0.2 0.675 106.0 53.8 -66.5 -16.4 -4.5 9.1 2.7 34 13 B E H S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.5 0.885 108.6 54.2 -64.4 -35.7 -9.0 9.9 0.7 37 16 B Y H X5S+ 0 0 57 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.905 116.5 39.9 -62.5 -36.7 -7.4 9.0 -2.6 38 17 B L H <5S+ 0 0 129 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.961 114.0 48.3 -76.3 -53.3 -10.2 6.6 -3.2 39 18 B V H <5S+ 0 0 36 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.850 124.4 30.3 -60.9 -34.1 -13.2 8.4 -1.9 40 19 B c H ><5S+ 0 0 8 -4,-2.0 3,-2.2 -5,-0.3 -1,-0.2 0.740 82.9 154.4 -95.2 -20.2 -12.5 11.7 -3.7 41 20 B G G >< 0 0 38 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-169.6 -0.2 19.7 -12.7 54 2 C I H > + 0 0 2 46,-0.3 4,-3.2 1,-0.2 5,-0.3 0.830 360.0 53.8 -46.4 -50.3 1.3 17.0 -10.5 55 3 C V H >>S+ 0 0 41 2,-0.2 4,-4.7 3,-0.2 5,-1.6 0.949 114.3 39.7 -56.6 -52.6 -0.1 14.1 -12.5 56 4 C E H 4>S+ 0 0 95 2,-0.2 5,-3.3 1,-0.2 4,-0.2 0.987 118.0 46.6 -62.5 -56.3 1.4 15.2 -15.7 57 5 C Q H <>S+ 0 0 74 -4,-2.9 5,-1.2 1,-0.2 -1,-0.2 0.897 131.1 23.6 -51.4 -41.4 4.6 16.3 -14.3 58 6 C d H <5S+ 0 0 0 -4,-3.2 21,-2.3 3,-0.2 5,-0.3 0.681 128.0 33.2 -99.3 -28.0 4.8 13.0 -12.3 59 7 C e T <5S+ 0 0 33 -4,-4.7 -3,-0.2 -5,-0.3 21,-0.1 0.814 131.9 28.6 -99.6 -41.4 2.8 10.1 -13.8 60 8 C A T - 0 0 31 -2,-0.3 4,-0.9 12,-0.2 12,-0.2 -0.461 36.0 -97.8-105.0 178.7 12.0 13.8 -8.1 65 13 C L H >> S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 3,-1.2 0.928 122.8 66.2 -61.1 -34.3 11.4 14.0 -4.4 66 14 C Y H >4 S+ 0 0 43 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.923 99.0 47.9 -46.8 -56.9 12.4 17.6 -4.9 67 15 C Q H >4 S+ 0 0 61 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.687 100.2 65.3 -64.8 -16.2 9.4 18.5 -7.0 68 16 C L H X< S+ 0 0 0 -3,-1.2 3,-3.2 -4,-0.9 4,-0.3 0.873 85.6 74.1 -76.4 -26.6 6.9 16.9 -4.7 69 17 C E G X< S+ 0 0 97 -4,-1.3 3,-1.9 -3,-0.8 -1,-0.2 0.842 81.7 71.2 -49.2 -29.9 7.8 19.5 -2.1 70 18 C N G < S+ 0 0 116 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.691 96.2 50.6 -63.7 -11.9 5.9 22.0 -4.2 71 19 C Y G < S+ 0 0 35 -3,-3.2 27,-1.4 -4,-0.1 2,-0.5 0.275 78.3 115.4-106.4 10.8 2.6 20.3 -3.2 72 20 C f B < E 97 0D 11 -3,-1.9 25,-0.3 -4,-0.3 24,-0.1 -0.685 360.0 360.0 -81.7 126.8 3.3 20.4 0.5 73 21 C N 0 0 91 23,-2.3 -2,-0.1 -2,-0.5 -1,-0.0 -0.441 360.0 360.0 -65.8 360.0 0.7 22.7 2.0 74 !* 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 75 2 D V 0 0 127 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.000 360.0 360.0 360.0 -93.5 15.0 10.7 -7.2 76 3 D N + 0 0 96 -12,-0.2 2,-0.3 -14,-0.1 -12,-0.2 -0.646 360.0 146.8-133.9 87.8 13.2 10.2 -10.5 77 4 D Q B -D 63 0C 120 -14,-1.1 -14,-0.8 -2,-0.3 2,-0.6 -0.777 51.5-109.5-118.2 165.9 10.3 7.8 -10.8 78 5 D H - 0 0 118 -2,-0.3 2,-0.5 -16,-0.1 -19,-0.2 -0.756 41.2-175.7 -82.2 116.5 7.0 7.1 -12.6 79 6 D L + 0 0 19 -21,-2.3 2,-0.3 -2,-0.6 -19,-0.1 -0.906 4.6 176.6-130.1 108.7 4.3 7.7 -9.9 80 7 D e > - 0 0 53 -2,-0.5 3,-1.8 -21,-0.1 2,-0.2 -0.847 44.6 -32.4-113.0 140.6 0.7 7.0 -10.8 81 8 D G T 3> S+ 0 0 25 -2,-0.3 4,-1.1 1,-0.3 3,-0.5 -0.298 130.1 3.6 58.6-117.2 -2.6 7.0 -8.9 82 9 D S H 3> S+ 0 0 35 1,-0.2 4,-2.0 -2,-0.2 -1,-0.3 0.856 125.3 70.3 -67.5 -28.4 -2.4 6.0 -5.3 83 10 D H H <> S+ 0 0 128 -3,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.856 98.3 46.9 -55.7 -38.8 1.4 5.8 -5.7 84 11 D L H > S+ 0 0 2 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.835 107.8 55.5 -72.7 -35.3 1.8 9.5 -6.0 85 12 D V H X S+ 0 0 0 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.884 109.1 48.8 -67.8 -30.1 -0.4 10.2 -3.0 86 13 D E H X S+ 0 0 56 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.838 107.6 52.3 -75.7 -31.5 1.8 8.0 -1.0 87 14 D A H X S+ 0 0 16 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.911 108.4 56.3 -68.7 -31.1 5.0 9.7 -2.2 88 15 D L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.4 0.889 104.4 48.8 -62.5 -45.5 3.2 12.9 -1.1 89 16 D Y H X S+ 0 0 65 -4,-1.7 4,-1.0 3,-0.2 -1,-0.2 0.763 113.5 47.5 -66.3 -26.5 2.6 11.8 2.5 90 17 D L H < S+ 0 0 136 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.925 118.0 39.8 -80.6 -47.5 6.2 10.7 2.9 91 18 D V H < S+ 0 0 35 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.985 126.2 34.3 -61.0 -62.8 7.7 13.9 1.5 92 19 D f H >X S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 4,-0.6 0.733 80.8 160.6 -61.6 -38.2 5.3 16.3 3.0 93 20 D G T 3< + 0 0 25 -4,-1.0 -1,-0.2 -5,-0.4 -2,-0.1 -0.206 67.9 10.5 50.6-119.4 4.7 14.5 6.4 94 21 D E T 34 S+ 0 0 153 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.785 127.7 52.1 -64.6 -34.4 3.3 16.9 9.0 95 22 D R T <4 S- 0 0 135 -3,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.889 97.1-162.2 -68.7 -36.0 2.4 20.0 6.9 96 23 D G < - 0 0 0 -4,-0.6 -23,-2.3 -8,-0.1 2,-0.3 -0.288 3.3-106.3 82.5-169.5 0.5 17.7 4.6 97 24 D F B -E 72 0D 0 -50,-0.5 -50,-4.8 -25,-0.3 2,-0.4 -0.892 2.4-121.3-147.0 174.2 -0.6 18.4 1.1 98 25 D F E -C 46 0B 52 -27,-1.4 2,-0.5 -52,-0.3 -52,-0.2 -0.922 18.7-159.2-119.0 144.1 -3.2 19.2 -1.5 99 26 D Y E +C 45 0B 15 -54,-3.1 -54,-2.8 -2,-0.4 -2,-0.0 -0.940 19.8 167.6-130.7 101.2 -3.8 16.8 -4.4 100 27 D T + 0 0 33 -2,-0.5 3,-0.4 -56,-0.2 -46,-0.3 -0.862 5.7 167.1-120.7 84.7 -5.5 18.7 -7.2 101 28 D P S S+ 0 0 22 0, 0.0 -45,-0.1 0, 0.0 -1,-0.1 0.747 70.3 68.7 -69.9 -28.1 -5.3 16.6 -10.4 102 29 D K 0 0 176 -59,-0.3 -58,-0.1 -60,-0.2 -59,-0.1 0.847 360.0 360.0 -54.6 -39.8 -7.9 18.8 -12.3 103 30 D A 0 0 98 -3,-0.4 -3,-0.0 0, 0.0 0, 0.0 0.017 360.0 360.0 -73.1 360.0 -5.3 21.5 -12.3