==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 24-MAY-06 2H4B . COMPND 2 MOLECULE: PANCREATIC HORMONE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.JURT,A.AEMISSEGGER,P.GUENTERT,O.ZERBE,D.HILVERT . 68 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 64.7 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 . 0 0.0 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 . 1 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.9 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-112.1 17.4 -7.6 -4.0 2 2 A P - 0 0 95 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.182 360.0 -94.3 -65.6-178.6 19.4 -6.5 -0.8 3 3 A S S S+ 0 0 118 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.858 101.6 90.6 -67.5 -33.9 21.3 -8.6 1.8 4 4 A Q S S- 0 0 109 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.302 81.0-119.4 -65.0 147.1 18.1 -8.6 4.0 5 5 A P - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.013 55.2 -44.9 -74.5-175.6 15.6 -11.5 3.4 6 6 A T - 0 0 142 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.125 54.9-142.2 -54.1 140.9 11.9 -11.1 2.4 7 7 A Y - 0 0 96 -3,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.778 31.3-101.9 -98.3 161.9 9.8 -8.3 4.1 8 8 A P 0 0 124 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.673 360.0 360.0 -63.1 -10.6 6.1 -8.9 5.0 9 9 A G 0 0 30 0, 0.0 38,-0.0 0, 0.0 -3,-0.0 -0.274 360.0 360.0 71.2 360.0 5.1 -6.8 1.9 10 !* 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 11 11 C P >> 0 0 88 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 172.4 -8.1 -6.9 6.9 12 12 C V H 3> + 0 0 64 1,-0.3 4,-0.7 2,-0.2 53,-0.1 0.750 360.0 56.1 -55.9 -31.1 -8.9 -3.8 4.8 13 13 C E H >> S+ 0 0 153 2,-0.2 3,-0.9 1,-0.2 4,-0.7 0.917 107.9 45.7 -67.9 -47.1 -9.8 -1.9 8.0 14 14 C D H X4 S+ 0 0 98 -3,-0.6 3,-0.9 1,-0.2 4,-0.2 0.852 106.1 63.3 -63.6 -32.3 -6.4 -2.5 9.7 15 15 C L H >X S+ 0 0 12 -4,-2.0 4,-3.1 1,-0.2 3,-1.0 0.781 90.8 65.6 -63.0 -28.0 -4.9 -1.5 6.2 16 16 C I H S+ 0 0 59 -3,-1.0 4,-3.1 -4,-0.2 3,-0.2 0.756 103.3 59.1-116.0 -44.8 -1.1 0.7 8.0 19 19 C Y H X S+ 0 0 36 -4,-3.1 4,-1.0 1,-0.2 -3,-0.1 0.858 103.6 54.9 -53.2 -45.1 -1.2 2.1 4.4 20 20 C N H >< S+ 0 0 104 -4,-0.6 3,-0.6 -5,-0.3 -1,-0.2 0.932 116.3 35.8 -58.0 -47.9 -0.7 5.7 5.8 21 21 C D H >> S+ 0 0 112 1,-0.2 3,-2.4 -3,-0.2 4,-0.6 0.879 107.0 69.5 -73.9 -35.9 2.5 4.7 7.7 22 22 C L H 3X S+ 0 0 16 -4,-3.1 4,-2.1 1,-0.3 5,-0.2 0.699 79.9 76.5 -56.2 -21.5 3.6 2.2 4.9 23 23 C Q H S+ 0 0 128 -3,-2.4 4,-2.0 -4,-0.2 -1,-0.2 0.881 103.8 57.7 -75.5 -39.9 7.4 5.6 4.8 25 25 C Y H X S+ 0 0 58 -4,-0.6 4,-2.3 1,-0.3 3,-0.3 0.952 106.7 48.2 -58.1 -47.8 8.3 1.8 4.3 26 26 C L H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 6,-0.3 0.813 107.2 57.5 -62.5 -29.9 8.4 2.3 0.5 27 27 C N H <>S+ 0 0 51 -4,-0.8 5,-2.1 -5,-0.2 4,-0.4 0.932 108.3 46.1 -66.1 -41.7 10.6 5.4 1.1 28 28 C V H ><5S+ 0 0 95 -4,-2.0 3,-1.3 -3,-0.3 -2,-0.2 0.946 110.5 53.2 -65.4 -47.5 13.1 3.2 2.9 29 29 C V H 3<5S+ 0 0 49 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.911 119.7 33.4 -52.3 -51.3 13.0 0.5 0.2 30 30 C T T 3<5S- 0 0 19 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.397 105.1-128.4 -86.4 1.5 13.8 3.1 -2.5 31 31 C R T < 5S- 0 0 210 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.815 71.4 -61.9 48.8 34.9 16.0 5.1 -0.1 32 32 C H S > 0 0 82 0, 0.0 4,-2.5 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 169.4 8.4 -7.0 -7.0 47 12 D V H 3> + 0 0 73 1,-0.2 4,-1.7 2,-0.2 -17,-0.1 0.811 360.0 60.7 -54.9 -33.5 9.1 -3.7 -5.0 48 13 D E H 3> S+ 0 0 153 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.926 109.9 38.8 -61.3 -48.3 9.8 -1.9 -8.3 49 14 D D H X> S+ 0 0 96 -3,-0.6 4,-2.5 1,-0.2 3,-0.5 0.880 109.9 62.8 -69.9 -37.3 6.3 -2.5 -9.7 50 15 D L H 3X S+ 0 0 20 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.842 94.9 61.3 -57.8 -34.8 4.9 -1.9 -6.2 51 16 D I H 3X S+ 0 0 45 -4,-1.7 4,-1.2 -3,-0.2 -1,-0.2 0.913 112.3 36.9 -56.2 -51.1 6.3 1.7 -6.4 52 17 D R H < S+ 0 0 97 -4,-1.2 3,-0.6 -3,-0.4 -1,-0.2 0.870 117.2 41.5 -64.1 -38.1 0.8 5.4 -5.7 56 21 D D H >< S+ 0 0 113 -4,-1.4 3,-1.7 -3,-0.3 4,-0.4 0.801 101.5 72.4 -78.6 -26.3 -2.2 4.4 -7.9 57 22 D L H 3X S+ 0 0 15 -4,-2.7 4,-1.9 1,-0.3 3,-0.5 0.673 73.2 86.1 -62.7 -16.1 -3.5 2.1 -5.1 58 23 D Q H S+ 0 0 120 -3,-1.7 4,-2.1 2,-0.2 -1,-0.3 0.851 103.9 55.9 -67.6 -43.2 -7.8 5.0 -5.2 60 25 D Y H > S+ 0 0 40 -3,-0.5 4,-2.5 -4,-0.4 -2,-0.2 0.942 109.0 45.4 -57.1 -52.2 -8.4 1.3 -4.3 61 26 D L H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 6,-0.3 0.918 111.5 55.6 -59.1 -36.7 -8.3 2.1 -0.5 62 27 D N H X>S+ 0 0 53 -4,-1.7 5,-1.9 -5,-0.3 4,-0.6 0.890 109.5 45.5 -63.1 -41.1 -10.5 5.1 -1.3 63 28 D V H ><5S+ 0 0 94 -4,-2.1 3,-1.0 3,-0.2 -2,-0.2 0.956 107.5 56.6 -67.3 -52.1 -13.1 2.8 -3.0 64 29 D V H 3<5S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.840 125.8 22.3 -48.8 -36.5 -13.1 0.2 -0.2 65 30 D T H ><5S- 0 0 28 -4,-1.8 3,-2.2 -5,-0.2 -1,-0.3 0.287 104.4-120.3-116.7 8.7 -14.1 2.9 2.4 66 31 D R T <<5S- 0 0 202 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.869 71.6 -64.1 49.5 38.8 -15.6 5.5 -0.1 67 32 D H T 3