==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE 09-OCT-97 1SJU . COMPND 2 MOLECULE: PROINSULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.X.HUA,S.Q.HU,W.H.JIA,Y.C.CHU,G.T.BURKE,S.H.WANG, . 50 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 44.0 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 . 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 0 0 0 1 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 . 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 F 0 0 105 0, 0.0 2,-0.3 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 -46.0 9.7 1.1 -3.7 2 2 A V - 0 0 69 2,-0.1 40,-0.3 1,-0.0 4,-0.0 -0.970 360.0-149.9-140.2 156.3 8.6 4.7 -3.8 3 3 A N S S+ 0 0 130 -2,-0.3 2,-0.2 38,-0.1 36,-0.0 -0.070 75.7 69.9-116.8 34.2 8.4 7.5 -1.2 4 4 A Q S S- 0 0 110 1,-0.1 36,-0.5 35,-0.1 2,-0.2 -0.515 95.2 -60.5-129.5-160.5 5.5 9.5 -2.9 5 5 A H + 0 0 87 -2,-0.2 31,-0.2 34,-0.1 -1,-0.1 -0.524 41.8 171.9 -86.3 157.3 1.8 9.0 -3.5 6 6 A L > - 0 0 8 29,-2.6 4,-1.3 32,-0.3 5,-0.3 0.551 20.6-157.3-135.3 -32.3 0.5 6.0 -5.5 7 7 A a H >> - 0 0 46 28,-1.8 4,-4.7 3,-0.2 3,-1.4 0.379 52.1 -54.6 60.2 149.9 -3.3 5.9 -5.3 8 8 A G H 3>>S+ 0 0 18 1,-0.3 4,-4.0 2,-0.3 5,-0.8 0.736 137.0 54.7 -18.4 -87.2 -5.1 2.5 -6.0 9 9 A S H 3>5S+ 0 0 78 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.779 129.4 21.3 -21.3 -57.3 -3.7 1.8 -9.4 10 10 A D H S+ 0 0 1 -4,-3.0 4,-1.6 -5,-0.4 5,-0.7 0.858 111.4 51.2 -39.7 -30.7 0.7 -3.8 -2.6 16 16 A Y H <5S+ 0 0 138 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.3 0.975 116.4 34.7 -71.8 -55.7 1.1 -6.4 -5.3 17 17 A L H <5S+ 0 0 119 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.763 113.6 64.2 -70.8 -20.3 4.9 -5.8 -5.7 18 18 A V H <5S- 0 0 25 -4,-5.2 -1,-0.2 -5,-0.2 -2,-0.2 0.913 130.3 -1.3 -68.5 -41.4 4.9 -5.2 -2.0 19 19 A b T <5S- 0 0 35 -4,-1.6 -3,-0.2 -5,-0.4 -2,-0.1 0.738 74.3-167.6-114.0 -65.1 3.9 -8.8 -1.2 20 20 A G < + 0 0 41 -5,-0.7 -4,-0.1 -4,-0.3 -3,-0.1 0.994 61.5 78.0 70.5 69.6 3.3 -10.7 -4.5 21 21 A E S S+ 0 0 147 -5,-0.0 -5,-0.0 0, 0.0 -1,-0.0 -0.007 101.1 11.0-164.0 -78.8 1.5 -13.8 -3.2 22 22 A R S S- 0 0 183 28,-0.2 -6,-0.0 -6,-0.0 0, 0.0 0.002 108.5 -92.8-107.1 29.9 -2.2 -13.7 -2.2 23 23 A G - 0 0 40 -7,-0.1 -7,-0.1 2,-0.1 -8,-0.0 0.831 61.8-106.7 66.8 28.2 -2.8 -10.3 -3.8 24 24 A F - 0 0 31 -8,-0.1 2,-0.5 26,-0.1 25,-0.2 0.124 58.5 -52.4 41.7-168.1 -2.1 -8.7 -0.4 25 25 A F + 0 0 102 -10,-0.1 -1,-0.1 2,-0.0 24,-0.1 -0.862 68.4 148.0-102.7 128.7 -5.2 -7.4 1.5 26 26 A Y + 0 0 58 -2,-0.5 -1,-0.0 3,-0.1 23,-0.0 -0.460 39.5 84.2-159.2 79.4 -7.5 -5.0 -0.4 27 27 A T S S+ 0 0 109 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.438 88.1 43.4-144.8 -50.8 -11.2 -5.1 0.4 28 28 A D S S- 0 0 112 2,-0.0 -2,-0.0 0, 0.0 3,-0.0 0.915 85.4-152.5 -71.6 -40.0 -12.0 -3.0 3.5 29 29 A K + 0 0 124 1,-0.1 -3,-0.1 3,-0.0 4,-0.0 0.998 26.4 170.7 66.5 66.8 -9.8 -0.1 2.3 30 30 A G S S+ 0 0 72 2,-0.0 2,-0.2 3,-0.0 -1,-0.1 0.003 71.8 25.4 -94.4 29.9 -8.9 1.5 5.6 31 31 A I + 0 0 27 2,-0.0 0, 0.0 3,-0.0 0, 0.0 -0.788 63.4 104.4-161.8-157.2 -6.4 3.6 3.6 32 32 A V S S+ 0 0 30 -2,-0.2 -24,-0.2 1,-0.1 5,-0.2 0.309 79.2 82.9 84.2 -11.8 -5.9 5.0 0.0 33 33 A E S S+ 0 0 160 3,-0.1 4,-0.4 2,-0.1 5,-0.1 0.707 103.8 25.9 -94.9 -21.9 -7.0 8.4 1.3 34 34 A Q S S+ 0 0 109 3,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.531 119.8 57.1-113.9 -13.2 -3.6 9.3 2.6 35 35 A c S S+ 0 0 1 2,-0.1 -29,-2.6 -30,-0.1 -28,-1.8 0.395 111.4 43.5 -98.3 4.3 -1.5 7.1 0.3 36 36 A a S S+ 0 0 40 -31,-0.2 -3,-0.1 -30,-0.2 -2,-0.1 0.752 131.3 17.0-112.5 -48.5 -3.0 8.7 -2.8 37 37 A T S S+ 0 0 107 -4,-0.4 2,-0.2 -5,-0.2 -3,-0.1 0.651 133.0 40.8 -98.8 -18.3 -3.0 12.4 -2.1 38 38 A S S S- 0 0 66 -34,-0.1 -32,-0.3 -5,-0.1 2,-0.1 -0.718 97.4 -87.8-121.1 173.8 -0.5 12.2 0.8 39 39 A I - 0 0 87 -2,-0.2 -34,-0.1 -34,-0.1 -3,-0.1 -0.432 40.6-157.4 -79.9 158.0 2.7 10.1 1.3 40 40 A c - 0 0 28 -36,-0.5 2,-0.2 -5,-0.2 -1,-0.1 -0.128 18.9-109.9-113.1-147.7 2.4 6.6 2.8 41 41 A S >> - 0 0 71 1,-0.1 3,-1.9 -2,-0.1 4,-1.7 -0.641 9.4-150.3-155.3 90.2 4.9 4.3 4.7 42 42 A L H 3> S+ 0 0 63 1,-0.3 4,-2.4 -40,-0.3 5,-0.1 0.791 99.9 63.4 -31.1 -36.7 6.2 1.2 2.8 43 43 A Y H 34 S+ 0 0 196 2,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.972 108.4 37.8 -58.6 -51.8 6.5 -0.3 6.3 44 44 A Q H X4 S+ 0 0 117 -3,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.944 116.4 51.8 -66.0 -45.8 2.7 -0.1 6.8 45 45 A L H >< S+ 0 0 7 -4,-1.7 3,-1.4 1,-0.3 4,-0.5 0.856 102.7 60.9 -60.5 -31.1 1.9 -1.0 3.2 46 46 A E T 3< S+ 0 0 115 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.435 99.5 58.6 -76.3 5.3 4.2 -4.0 3.6 47 47 A N T < S+ 0 0 106 -3,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.307 83.3 79.9-114.9 7.9 1.9 -5.2 6.4 48 48 A Y S < S+ 0 0 46 -3,-1.4 -2,-0.1 -4,-0.2 2,-0.1 0.875 85.4 64.7 -82.1 -36.7 -1.3 -5.4 4.3 49 49 A b 0 0 17 -4,-0.5 -33,-0.0 -25,-0.2 -26,-0.0 -0.425 360.0 360.0 -81.8 160.7 -0.5 -8.8 2.7 50 50 A N 0 0 180 -2,-0.1 -28,-0.2 0, 0.0 -26,-0.1 -0.570 360.0 360.0 -81.9 360.0 -0.2 -11.9 4.8