==== 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 2H3T . 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) . 4360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 19 55.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 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 . 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 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-173.3 12.4 0.4 -14.0 2 2 A P - 0 0 103 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.292 360.0-135.9 -65.0 154.1 14.6 1.3 -11.0 3 3 A S S S+ 0 0 121 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.689 100.3 29.5 -84.5 -20.1 18.4 0.9 -11.3 4 4 A Q S S- 0 0 168 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.694 80.2-165.9-140.2 73.9 18.7 -0.7 -7.8 5 5 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.457 25.8-117.4 -63.9 138.3 15.4 -2.6 -7.0 6 6 A T - 0 0 113 -2,-0.1 -2,-0.0 1,-0.0 0, 0.0 -0.517 33.8-165.2 -74.1 153.6 15.2 -3.5 -3.2 7 7 A Y - 0 0 183 -2,-0.2 2,-0.0 1,-0.1 -1,-0.0 -0.853 19.4-107.4-137.6 161.3 15.0 -7.2 -2.3 8 8 A P 0 0 123 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.140 360.0 360.0 -77.6-176.8 14.1 -9.3 0.8 9 9 A G 0 0 88 -2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.783 360.0 360.0 74.5 360.0 16.7 -11.2 2.8 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 55 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.6 12.4 2.3 1.9 12 12 B V > + 0 0 94 3,-0.1 4,-2.7 2,-0.0 5,-0.3 0.665 360.0 52.3-131.9 -39.8 9.7 3.9 4.0 13 13 B E H > S+ 0 0 137 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.987 117.3 40.2 -66.8 -52.2 8.0 6.7 1.9 14 14 B D H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.724 115.5 56.5 -64.7 -28.4 7.4 4.4 -1.1 15 15 B L H >> S+ 0 0 86 2,-0.2 4,-1.4 3,-0.1 3,-0.6 0.967 113.5 34.7 -69.5 -57.5 6.5 1.6 1.4 16 16 B I H 3X S+ 0 0 85 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.863 114.0 60.5 -69.9 -29.3 3.7 3.5 3.3 17 17 B R H 3X S+ 0 0 189 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.785 105.7 48.2 -67.5 -25.5 2.6 5.2 0.0 18 18 B F H X S+ 0 0 160 -4,-1.4 4,-2.0 2,-0.2 3,-1.2 0.965 111.9 48.2 -69.3 -52.9 -0.1 0.8 1.7 20 20 B N H 3X S+ 0 0 98 -4,-3.1 4,-1.3 1,-0.3 -2,-0.2 0.833 102.9 63.3 -59.3 -34.8 -2.2 4.0 1.9 21 21 B D H 3< S+ 0 0 109 -4,-1.1 4,-0.3 -5,-0.2 -1,-0.3 0.727 115.0 31.3 -66.8 -23.0 -3.1 3.8 -1.9 22 22 B L H X S+ 0 0 76 -4,-2.0 3,-1.2 1,-0.2 4,-0.8 0.884 93.2 54.6 -58.9 -40.7 -6.1 1.4 2.3 24 24 B Q H >X>S+ 0 0 113 -4,-1.3 4,-3.3 1,-0.3 3,-1.3 0.928 103.6 53.4 -59.4 -45.4 -8.7 3.7 0.8 25 25 B Y H 345S+ 0 0 160 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.621 114.1 44.7 -65.9 -14.4 -10.1 0.8 -1.3 26 26 B L H <<5S+ 0 0 105 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.454 123.8 31.8-107.6 -4.2 -10.3 -1.2 2.0 27 27 B N H <<5S+ 0 0 90 -3,-1.3 4,-0.3 -4,-0.8 -2,-0.2 0.665 126.4 37.8-119.7 -37.1 -11.9 1.6 4.1 28 28 B V T <5S+ 0 0 84 -4,-3.3 -3,-0.2 -5,-0.2 -4,-0.1 0.786 122.4 40.9 -91.0 -31.7 -14.0 3.5 1.6 29 29 B V S > XS+ 0 0 46 -5,-0.8 3,-2.1 1,-0.2 5,-0.7 0.901 112.1 54.6 -86.6 -36.3 -15.2 0.5 -0.5 30 30 B T T 3>5S+ 0 0 53 1,-0.3 4,-0.6 4,-0.2 3,-0.4 0.804 91.8 76.0 -64.9 -20.0 -15.9 -1.7 2.5 31 31 B R T 345S+ 0 0 196 -4,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.659 86.3 63.1 -64.3 -15.3 -18.0 1.3 3.8 32 32 B H T <45S- 0 0 145 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.1 -0.517 135.6 -89.2-106.0 48.4 -20.6 -0.0 1.2 33 33 B R T 45 0 0 240 -3,-0.4 -2,-0.2 -2,-0.4 -3,-0.2 0.649 360.0 360.0 47.1 27.9 -20.8 -3.4 3.1 34 34 B Y << 0 0 211 -5,-0.7 -4,-0.2 -4,-0.6 -1,-0.1 0.795 360.0 360.0 -86.4 360.0 -17.9 -4.8 1.1 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 0 318 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 18.5 -8.0 4.2