==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 07-MAY-10 3MXW . COMPND 2 MOLECULE: SONIC HEDGEHOG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.G.HYMOWITZ,H.R.MAUN . 585 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 34.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 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 . 53 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 1 0 0 0 0 1 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 2 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 PARALLEL BRIDGES PER LADDER . 4 7 5 7 3 10 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 5 0 2 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 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 39 A L 0 0 130 0, 0.0 125,-0.1 0, 0.0 124,-0.1 0.000 360.0 360.0 360.0 108.7 -15.0 -15.4 64.8 2 40 A T - 0 0 95 123,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.833 360.0-111.2-106.2 140.6 -17.3 -14.9 61.8 3 41 A P - 0 0 71 0, 0.0 119,-0.3 0, 0.0 2,-0.2 -0.325 34.2-107.6 -66.1 151.4 -16.3 -15.8 58.3 4 42 A L - 0 0 5 117,-2.2 2,-0.1 116,-0.2 120,-0.1 -0.526 34.7-118.7 -70.4 144.6 -15.7 -13.0 55.8 5 43 A A > - 0 0 58 -2,-0.2 3,-2.2 1,-0.1 132,-0.3 -0.452 44.7 -76.7 -75.1 156.5 -18.3 -12.6 53.1 6 44 A Y T 3 S+ 0 0 51 1,-0.3 -1,-0.1 -2,-0.1 132,-0.1 -0.356 120.7 9.9 -55.5 131.7 -17.4 -13.1 49.4 7 45 A K T 3 S+ 0 0 20 130,-2.0 -1,-0.3 1,-0.3 2,-0.2 0.405 97.2 136.9 71.4 2.3 -15.6 -9.9 48.1 8 46 A Q < - 0 0 72 -3,-2.2 129,-2.7 129,-0.1 2,-0.4 -0.537 34.9-165.7 -75.1 145.6 -15.3 -8.6 51.7 9 47 A F E -A 136 0A 58 127,-0.2 127,-0.2 -2,-0.2 -4,-0.0 -0.989 14.9-120.0-130.7 145.1 -12.0 -7.0 52.8 10 48 A I E S+A 135 0A 34 125,-2.4 125,-2.0 -2,-0.4 2,-0.2 -1.000 97.5 36.6-134.5 131.3 -10.8 -6.1 56.3 11 49 A P S S- 0 0 46 0, 0.0 2,-2.4 0, 0.0 124,-0.1 0.590 100.1-122.8 -65.0 161.6 -10.0 -3.5 57.3 12 50 A N S S+ 0 0 133 -2,-0.2 2,-0.3 122,-0.1 -2,-0.1 -0.333 80.9 87.8 -80.4 58.5 -12.8 -2.1 55.2 13 51 A V S S- 0 0 61 -2,-2.4 4,-0.0 4,-0.1 0, 0.0 -0.941 91.4 -69.2-144.2 163.5 -10.5 0.3 53.3 14 52 A A > - 0 0 59 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.240 46.1-118.3 -58.0 143.1 -8.4 0.1 50.1 15 53 A E T 3 S+ 0 0 28 1,-0.3 6,-2.1 5,-0.1 7,-1.0 0.822 110.5 50.5 -47.9 -43.5 -5.4 -2.2 50.4 16 54 A K T 3 S+ 0 0 65 5,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.337 87.3 108.0 -87.6 7.5 -2.8 0.6 49.7 17 55 A T S X >S- 0 0 57 -3,-2.0 3,-1.6 5,-0.2 5,-1.4 -0.469 83.6-107.8 -85.1 161.2 -4.2 3.0 52.3 18 56 A L T 3 5S+ 0 0 162 1,-0.3 -1,-0.1 3,-0.1 130,-0.0 0.836 116.9 56.5 -58.9 -37.3 -2.4 3.8 55.5 19 57 A G T 3 5S+ 0 0 60 -5,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.680 118.3 30.8 -67.2 -17.1 -4.9 1.9 57.7 20 58 A A T < 5S- 0 0 0 -3,-1.6 114,-0.2 -6,-0.3 128,-0.2 0.361 130.4 -37.7-110.5-118.5 -4.3 -1.3 55.7 21 59 A S T 5S- 0 0 2 -6,-2.1 128,-0.5 -7,-0.2 -5,-0.2 0.669 80.1-140.9 -91.9 -17.9 -1.1 -2.5 53.9 22 60 A G < - 0 0 11 -5,-1.4 -5,-0.2 -7,-1.0 -1,-0.2 -0.096 41.2 -16.9 81.4 179.0 0.0 1.0 52.6 23 61 A R - 0 0 210 1,-0.1 2,-0.3 -7,-0.1 126,-0.2 -0.076 62.5-109.4 -64.8 149.7 1.6 2.0 49.3 24 62 A Y - 0 0 44 1,-0.1 -1,-0.1 75,-0.1 3,-0.1 -0.617 26.9-164.6 -69.2 127.7 3.3 -0.1 46.7 25 63 A E - 0 0 97 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.752 52.1 -69.1 -93.1 -27.4 7.0 0.6 46.8 26 64 A G - 0 0 15 73,-0.1 -1,-0.2 2,-0.0 73,-0.0 -0.462 55.1 -67.2 144.4 147.4 7.9 -0.9 43.5 27 65 A K - 0 0 133 -2,-0.2 2,-0.6 -3,-0.1 77,-0.2 -0.220 39.3-146.1 -56.2 137.4 8.3 -4.2 41.6 28 66 A I - 0 0 4 75,-2.5 2,-0.2 63,-0.2 77,-0.1 -0.948 19.0-164.5-107.2 113.9 11.1 -6.6 42.9 29 67 A S > - 0 0 60 -2,-0.6 3,-1.7 1,-0.1 6,-0.3 -0.654 31.5-111.1 -99.0 157.2 12.6 -8.5 40.0 30 68 A R T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 5,-0.1 0.873 116.6 52.7 -49.8 -43.9 14.8 -11.6 40.2 31 69 A N T 3 S+ 0 0 169 4,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.123 93.9 106.0 -83.9 23.9 17.9 -9.7 39.0 32 70 A S S < S- 0 0 33 -3,-1.7 4,-0.5 1,-0.1 3,-0.4 -0.678 74.6-129.0-109.3 158.0 17.5 -7.0 41.6 33 71 A E S > S+ 0 0 146 -2,-0.2 3,-0.7 1,-0.2 4,-0.2 0.811 112.4 56.2 -68.6 -32.7 19.3 -6.0 44.9 34 72 A R G > S+ 0 0 80 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.666 90.1 74.0 -75.7 -15.5 16.0 -5.9 46.7 35 73 A F G > S+ 0 0 35 -3,-0.4 3,-1.6 -6,-0.3 -1,-0.2 0.848 87.6 63.6 -60.6 -32.9 15.3 -9.5 45.5 36 74 A K G < S+ 0 0 161 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.648 88.9 67.7 -65.6 -20.1 17.9 -10.4 48.2 37 75 A E G < S+ 0 0 122 -3,-1.2 2,-0.4 -4,-0.2 -1,-0.3 0.611 89.2 81.1 -72.2 -16.6 15.5 -9.0 50.9 38 76 A L < - 0 0 13 -3,-1.6 23,-0.2 -4,-0.3 21,-0.1 -0.786 61.0-176.0 -95.0 138.2 13.2 -11.9 50.1 39 77 A T E -F 60 0B 59 21,-1.3 21,-1.1 -2,-0.4 2,-0.2 -0.955 31.6-100.6-130.5 147.4 13.8 -15.4 51.6 40 78 A P E -F 59 0B 36 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.512 26.6-131.9 -72.2 135.2 11.9 -18.6 51.0 41 79 A N + 0 0 4 17,-2.5 18,-0.0 -2,-0.2 5,-0.0 -0.763 26.4 178.1 -79.3 118.5 9.3 -19.7 53.7 42 80 A Y + 0 0 162 -2,-0.6 -1,-0.1 3,-0.0 4,-0.0 0.060 17.5 155.1-111.7 20.1 10.1 -23.4 54.3 43 81 A N > - 0 0 30 1,-0.2 3,-1.7 2,-0.1 -2,-0.1 -0.312 38.7-148.2 -52.8 118.4 7.4 -24.0 57.0 44 82 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.682 95.8 61.8 -65.2 -15.5 6.6 -27.7 57.0 45 83 A D T 3 S+ 0 0 61 2,-0.0 39,-0.7 38,-0.0 2,-0.4 0.257 93.8 75.7 -95.8 12.1 3.1 -26.9 58.0 46 84 A I E < S-b 84 0A 8 -3,-1.7 2,-0.5 37,-0.1 39,-0.2 -0.986 70.2-144.1-124.6 133.9 2.4 -24.9 54.9 47 85 A I E -b 85 0A 73 37,-2.6 39,-3.2 -2,-0.4 2,-0.6 -0.844 12.8-158.7 -92.6 125.3 1.7 -26.3 51.4 48 86 A F E -b 86 0A 20 -2,-0.5 39,-0.2 37,-0.2 10,-0.1 -0.942 9.2-153.3-106.9 121.4 3.2 -24.3 48.5 49 87 A K + 0 0 34 37,-3.0 -1,-0.2 -2,-0.6 38,-0.1 0.942 20.7 178.0 -54.8 -52.7 1.5 -24.9 45.2 50 88 A D > + 0 0 43 36,-0.3 3,-1.4 1,-0.1 -1,-0.1 0.877 12.6 160.9 48.1 47.9 4.7 -23.9 43.3 51 89 A E T 3 S+ 0 0 80 36,-0.3 -1,-0.1 1,-0.3 344,-0.1 0.736 71.3 63.9 -67.7 -21.1 3.0 -24.7 39.9 52 90 A E T 3 S- 0 0 35 1,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.645 99.5-139.7 -72.6 -17.3 5.8 -22.5 38.4 53 91 A N S < S+ 0 0 139 -3,-1.4 -2,-0.1 1,-0.1 -3,-0.0 0.845 79.4 98.3 52.6 38.5 8.4 -25.0 39.6 54 92 A T S S- 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.480 92.5-119.2-124.5 -13.4 10.6 -22.1 40.6 55 93 A G S >> S+ 0 0 20 -5,-0.1 3,-1.4 -7,-0.0 4,-0.5 0.484 72.4 132.8 78.7 5.1 10.0 -21.8 44.3 56 94 A A G >4 + 0 0 0 1,-0.3 3,-1.7 2,-0.2 34,-0.9 0.858 61.9 64.2 -53.2 -41.6 8.6 -18.2 43.8 57 95 A D G 34 S+ 0 0 0 1,-0.3 -1,-0.3 32,-0.2 31,-0.1 0.750 98.4 55.9 -57.8 -27.0 5.5 -18.9 45.9 58 96 A R G <4 S+ 0 0 69 -3,-1.4 -17,-2.5 31,-0.1 2,-0.3 0.686 86.0 98.6 -76.6 -20.5 7.8 -19.4 49.0 59 97 A L E << +F 40 0B 17 -3,-1.7 31,-1.6 -4,-0.5 2,-0.3 -0.553 47.4 129.9 -80.4 131.2 9.4 -15.9 48.6 60 98 A M E -F 39 0B 0 -21,-1.1 -21,-1.3 -2,-0.3 46,-0.2 -0.973 55.8 -80.7-166.7 165.7 8.0 -13.2 50.8 61 99 A T > - 0 0 12 44,-2.7 4,-2.4 -2,-0.3 5,-0.1 -0.311 45.5-107.1 -72.0 165.3 9.0 -10.4 53.3 62 100 A Q H > S+ 0 0 93 -25,-0.2 4,-2.4 1,-0.2 5,-0.1 0.905 121.2 50.8 -59.3 -45.1 9.7 -11.1 56.9 63 101 A R H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.894 108.9 51.9 -61.8 -39.4 6.4 -9.6 58.1 64 102 A C H > S+ 0 0 0 1,-0.2 4,-2.8 41,-0.2 -2,-0.2 0.940 110.6 48.7 -60.8 -46.4 4.6 -11.7 55.5 65 103 A K H X S+ 0 0 23 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.902 109.6 52.7 -53.9 -47.7 6.3 -14.8 56.9 66 104 A D H X S+ 0 0 87 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.932 114.2 40.1 -61.4 -50.4 5.5 -13.9 60.5 67 105 A K H X S+ 0 0 50 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.916 116.2 51.6 -66.7 -40.4 1.7 -13.5 59.8 68 106 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.865 108.6 51.3 -61.7 -37.9 1.6 -16.5 57.5 69 107 A N H X S+ 0 0 49 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.885 109.3 49.3 -70.0 -38.9 3.3 -18.7 60.1 70 108 A A H X S+ 0 0 43 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.909 110.7 52.2 -60.9 -44.3 0.8 -17.7 62.8 71 109 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.895 101.9 59.4 -61.1 -39.2 -1.9 -18.5 60.3 72 110 A A H X S+ 0 0 2 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.904 106.6 48.7 -55.8 -40.0 -0.4 -21.9 59.7 73 111 A I H X S+ 0 0 125 -4,-1.4 4,-1.5 -3,-0.2 -1,-0.2 0.947 112.5 45.4 -64.3 -50.6 -0.9 -22.7 63.4 74 112 A S H X S+ 0 0 31 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.841 107.6 58.2 -68.5 -34.2 -4.6 -21.5 63.6 75 113 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.955 108.5 45.3 -56.6 -51.7 -5.6 -23.3 60.4 76 114 A M H < S+ 0 0 67 -4,-1.6 -1,-0.2 1,-0.2 6,-0.2 0.820 114.2 50.2 -63.0 -31.5 -4.5 -26.7 61.8 77 115 A N H < S+ 0 0 132 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.887 112.0 47.3 -72.0 -40.6 -6.3 -25.8 65.1 78 116 A Q H < S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.919 129.3 19.4 -65.4 -48.7 -9.5 -24.9 63.3 79 117 A W S >< S- 0 0 46 -4,-2.7 3,-2.4 3,-0.2 -1,-0.3 -0.815 82.7-141.8-128.9 91.3 -9.5 -28.0 61.1 80 118 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.253 90.0 23.8 -55.5 133.1 -7.4 -30.9 62.3 81 119 A G T 3 S+ 0 0 79 1,-0.3 2,-0.3 -5,-0.1 -5,-0.1 0.302 105.5 99.3 92.2 -8.0 -5.7 -32.7 59.4 82 120 A V < - 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0 0 46 -2,-0.2 3,-1.4 110,-0.1 -1,-0.2 -0.204 63.0 -94.8 -64.5 162.7 -2.9 -6.4 39.0 98 136 A E T 3 S+ 0 0 155 1,-0.3 -1,-0.1 -4,-0.0 -2,-0.0 0.815 122.3 25.3 -47.7 -45.3 -0.5 -3.8 37.5 99 137 A E T 3 S+ 0 0 107 -73,-0.0 -1,-0.3 -72,-0.0 2,-0.1 -0.387 88.4 168.2-120.3 53.5 1.0 -2.7 40.9 100 138 A S X - 0 0 4 -3,-1.4 3,-1.6 1,-0.1 4,-0.2 -0.399 43.8-134.1 -74.4 140.2 0.4 -5.8 43.0 101 139 A L G > >S+ 0 0 0 1,-0.3 5,-2.5 2,-0.2 3,-1.3 0.714 103.7 74.4 -62.2 -18.6 2.0 -6.3 46.4 102 140 A H G > 5S+ 0 0 1 1,-0.2 -11,-1.7 4,-0.2 3,-1.3 0.814 84.0 65.1 -57.8 -31.5 2.8 -9.8 45.1 103 141 A Y G < 5S+ 0 0 16 -3,-1.6 -75,-2.5 1,-0.3 -1,-0.2 0.632 109.0 37.8 -73.1 -12.8 5.5 -8.2 43.0 104 142 A E G < 5S- 0 0 5 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.125 118.1-104.4-124.5 22.2 7.4 -7.2 46.1 105 143 A G T < 5S+ 0 0 0 -3,-1.3 -44,-2.7 -16,-0.2 -3,-0.2 0.702 88.8 116.4 69.5 24.3 6.7 -10.2 48.3 106 144 A R < + 0 0 3 -5,-2.5 41,-2.0 -46,-0.2 2,-0.3 0.281 65.4 57.3-106.6 8.7 4.1 -8.5 50.5 107 145 A A E - D 0 146A 0 -6,-0.4 2,-0.3 39,-0.2 39,-0.2 -0.986 53.6-170.6-142.1 149.4 1.2 -10.7 49.5 108 146 A V E - 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