==== 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 23-MAY-06 2H3S . COMPND 2 MOLECULE: PANCREATIC HORMONE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.JURT,A.AEMISSEGGER,P.GUENTERT,O.ZERBE,D.HILVERT . 34 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 26 76.5 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 . 2 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 47.1 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+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 0 0 0 0 0 0 0 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 . 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 0 116 0, 0.0 2,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.3 7.6 -16.7 0.9 2 2 A P - 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.509 360.0-174.5 -69.7 90.9 8.8 -13.1 1.2 3 3 A S - 0 0 122 -2,-1.5 0, 0.0 1,-0.2 0, 0.0 0.952 69.1 -34.3 -47.9 -74.1 7.7 -11.9 -2.3 4 4 A Q - 0 0 124 2,-0.1 2,-2.2 0, 0.0 -1,-0.2 -0.491 64.5-176.5-157.0 72.4 9.1 -8.3 -2.3 5 5 A P + 0 0 87 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.476 17.2 175.3 -77.1 64.7 8.9 -6.9 1.2 6 6 A T - 0 0 76 -2,-2.2 -2,-0.1 8,-0.0 0, 0.0 -0.309 8.6-167.7 -63.4 159.4 10.2 -3.4 0.3 7 7 A Y - 0 0 185 -2,-0.0 8,-0.1 0, 0.0 7,-0.0 -0.995 21.3-105.8-152.2 156.1 10.1 -0.9 3.2 8 8 A P 0 0 52 0, 0.0 7,-0.0 0, 0.0 0, 0.0 -0.045 360.0 360.0 -72.3 175.6 10.5 2.8 3.9 9 9 A G 0 0 74 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.509 360.0 360.0-144.7 360.0 13.7 4.3 5.5 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 B P >> 0 0 93 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 119.7 12.8 7.6 -3.8 12 12 B V H 3> + 0 0 107 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.879 360.0 67.4 -61.4 -34.4 9.3 9.1 -3.9 13 13 B E H 3> S+ 0 0 146 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.792 99.8 48.4 -54.5 -40.9 8.1 5.9 -5.6 14 14 B D H <> S+ 0 0 34 -3,-0.9 4,-2.0 2,-0.2 -1,-0.3 0.879 111.7 49.2 -68.7 -40.3 8.8 3.9 -2.4 15 15 B L H X S+ 0 0 94 -4,-1.1 4,-1.5 -3,-0.3 -2,-0.2 0.921 112.6 47.5 -63.8 -48.6 6.9 6.4 -0.2 16 16 B I H >X S+ 0 0 101 -4,-2.7 4,-3.2 2,-0.2 3,-0.5 0.938 110.6 52.2 -62.2 -46.5 3.9 6.4 -2.6 17 17 B R H 3X S+ 0 0 120 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.885 109.3 49.4 -58.1 -43.6 3.9 2.5 -2.7 18 18 B F H 3X S+ 0 0 116 -4,-2.0 4,-0.6 2,-0.2 -1,-0.3 0.802 115.8 43.7 -65.8 -30.1 3.9 2.3 1.1 19 19 B Y H XX S+ 0 0 151 -4,-1.5 3,-1.1 -3,-0.5 4,-0.8 0.927 107.6 58.2 -78.2 -46.1 1.0 4.8 1.2 20 20 B N H >X S+ 0 0 84 -4,-3.2 4,-2.9 1,-0.3 3,-0.6 0.789 96.3 65.1 -53.6 -30.8 -0.9 3.1 -1.6 21 21 B D H 3X S+ 0 0 83 -4,-1.4 4,-2.2 1,-0.3 -1,-0.3 0.892 98.4 52.5 -62.4 -39.7 -1.0 -0.1 0.4 22 22 B L H << S+ 0 0 98 -3,-1.1 4,-0.3 -4,-0.6 -1,-0.3 0.744 113.8 44.3 -65.1 -32.2 -3.2 1.5 3.1 23 23 B Q H XX S+ 0 0 111 -4,-0.8 4,-1.2 -3,-0.6 3,-1.1 0.885 108.8 55.9 -80.4 -42.1 -5.6 2.6 0.3 24 24 B Q H >X S+ 0 0 106 -4,-2.9 4,-1.7 1,-0.3 3,-0.7 0.900 101.0 57.9 -59.1 -41.2 -5.5 -0.8 -1.5 25 25 B Y H 3X S+ 0 0 171 -4,-2.2 4,-0.6 1,-0.3 5,-0.5 0.801 112.9 41.3 -61.1 -26.4 -6.6 -2.6 1.7 26 26 B L H <4 S+ 0 0 118 -3,-1.1 5,-0.4 -4,-0.3 -1,-0.3 0.643 115.8 50.7 -95.5 -10.8 -9.7 -0.3 1.7 27 27 B N H << S+ 0 0 92 -4,-1.2 -2,-0.2 -3,-0.7 -3,-0.2 0.563 116.3 37.2-104.0 -7.9 -10.2 -0.6 -2.1 28 28 B V H < S+ 0 0 97 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.610 126.9 33.3-118.1 -14.7 -10.1 -4.4 -2.4 29 29 B V S >X S+ 0 0 69 -4,-0.6 3,-1.5 -5,-0.4 4,-0.7 0.886 123.1 37.6-107.6 -57.8 -12.0 -5.2 0.8 30 30 B T H >> S+ 0 0 55 -5,-0.5 4,-3.2 1,-0.3 3,-1.1 0.892 108.4 65.9 -69.3 -26.0 -14.5 -2.5 1.4 31 31 B R H 34 S+ 0 0 214 -5,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.703 113.1 34.2 -69.0 -11.4 -15.3 -2.3 -2.4 32 32 B H H <4 S+ 0 0 181 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.408 128.2 36.4-118.9 -1.8 -16.6 -5.9 -2.1 33 33 B R H << 0 0 226 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.2 0.589 360.0 360.0-124.4 -22.9 -18.2 -5.7 1.5 34 34 B Y < 0 0 241 -4,-3.2 -3,-0.1 -5,-0.2 -4,-0.1 0.317 360.0 360.0 -93.2 360.0 -19.5 -2.1 1.7 35 !* 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 36 10 A X 0 0 337 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 13.1 7.9 6.7