==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 15-APR-09 2WG4 . COMPND 2 MOLECULE: SONIC HEDGEHOG PROTEIN N-PRODUCT; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR B.BISHOP,A.R.ARICESCU,K.HARLOS,C.A.O'CALLAGHAN,E.Y.JONES, . 566 8 10 7 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 58.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 25.6 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 . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 53 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 2 0 1 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 4 5 7 6 0 1 1 1 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 . 3 0 3 1 1 0 0 1 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 40 A L 0 0 127 0, 0.0 121,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 124.1 27.0 -16.5 1.1 2 41 A T - 0 0 100 1,-0.1 0, 0.0 119,-0.1 0, 0.0 -0.876 360.0-120.6-102.7 133.3 23.8 -17.0 3.1 3 42 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 115,-0.3 -0.056 28.6 -99.9 -64.1 166.7 22.2 -20.5 3.1 4 43 A L - 0 0 0 113,-2.4 116,-0.1 112,-0.2 3,-0.1 -0.715 37.9-117.0 -88.3 142.0 18.6 -21.3 1.9 5 44 A A > - 0 0 25 -2,-0.3 3,-2.0 1,-0.1 128,-0.3 -0.349 43.2 -79.6 -74.1 157.7 15.9 -21.6 4.5 6 45 A Y T 3 S+ 0 0 36 338,-2.6 -1,-0.1 1,-0.3 3,-0.1 -0.334 117.8 7.1 -58.2 133.2 14.0 -24.9 5.0 7 46 A K T 3 S+ 0 0 73 126,-1.2 2,-0.3 1,-0.2 -1,-0.3 0.672 100.9 135.2 65.2 18.0 11.3 -25.4 2.3 8 47 A Q < - 0 0 70 -3,-2.0 125,-3.0 125,-0.0 2,-0.3 -0.734 34.7-167.5 -96.5 148.3 12.6 -22.3 0.5 9 48 A F E -A 132 0A 57 -2,-0.3 123,-0.2 123,-0.2 -4,-0.0 -0.987 15.7-114.1-137.8 146.4 13.1 -22.3 -3.3 10 49 A I E S+A 131 0A 46 121,-2.5 121,-2.8 -2,-0.3 2,-0.2 -0.996 98.7 35.5-132.2 129.8 14.8 -20.0 -5.8 11 50 A P S S- 0 0 38 0, 0.0 2,-1.9 0, 0.0 9,-0.0 0.544 95.0-126.1 -69.3 165.2 13.5 -18.4 -7.8 12 51 A N S S+ 0 0 132 -2,-0.2 2,-0.2 -4,-0.0 -2,-0.1 -0.177 80.3 83.6 -77.9 46.0 10.5 -17.7 -5.6 13 52 A V S S- 0 0 62 -2,-1.9 2,-0.1 4,-0.1 4,-0.0 -0.802 93.2 -62.4-136.2 177.3 8.1 -19.1 -8.3 14 53 A A > - 0 0 64 -2,-0.2 3,-1.4 1,-0.1 6,-0.3 -0.405 47.1-125.8 -63.9 139.8 6.6 -22.3 -9.6 15 54 A E T 3 S+ 0 0 30 1,-0.3 6,-2.5 5,-0.1 7,-0.6 0.862 104.8 54.1 -56.8 -41.7 9.3 -24.6 -11.0 16 55 A K T 3 S+ 0 0 63 5,-0.2 2,-0.3 4,-0.2 -1,-0.3 -0.013 84.3 108.9 -92.0 31.8 7.7 -25.1 -14.4 17 56 A T S X >S- 0 0 40 -3,-1.4 5,-2.3 5,-0.2 3,-1.7 -0.724 84.0-109.9 -98.8 157.6 7.4 -21.4 -15.2 18 57 A L T 3 5S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.788 118.1 61.5 -57.4 -28.7 9.5 -19.8 -17.8 19 58 A G T 3 5S+ 0 0 62 -5,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.779 117.9 24.7 -68.3 -27.0 11.4 -17.9 -15.1 20 59 A A T < 5S- 0 0 0 -3,-1.7 -4,-0.2 -6,-0.3 -5,-0.1 0.549 135.6 -32.0-103.3-111.4 12.5 -21.2 -13.6 21 60 A S T 5S- 0 0 2 -6,-2.5 124,-0.3 1,-0.2 -5,-0.2 0.444 86.8-132.0 -97.3 -2.3 12.9 -24.5 -15.5 22 61 A G < - 0 0 7 -5,-2.3 -1,-0.2 -7,-0.6 -5,-0.2 -0.022 42.2 -28.9 77.7 177.2 10.1 -23.9 -17.9 23 62 A R - 0 0 147 1,-0.1 2,-0.6 -3,-0.1 -6,-0.1 0.009 60.9-111.7 -62.4 169.2 7.2 -26.1 -18.9 24 63 A Y - 0 0 39 1,-0.1 3,-0.1 -8,-0.1 -1,-0.1 -0.927 25.8-174.6-110.2 117.9 7.2 -29.9 -19.0 25 64 A E - 0 0 160 -2,-0.6 2,-0.2 1,-0.3 -1,-0.1 0.866 55.0 -59.6 -82.6 -38.9 7.1 -31.4 -22.5 26 65 A G - 0 0 15 69,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.841 57.7 -65.7 163.9 160.1 6.8 -35.1 -21.7 27 66 A K - 0 0 73 -2,-0.2 2,-0.7 -3,-0.1 73,-0.2 -0.403 45.1-135.7 -67.6 136.7 8.3 -38.2 -20.0 28 67 A I + 0 0 3 71,-2.6 2,-0.1 59,-0.1 73,-0.1 -0.850 32.9 163.7-100.5 112.4 11.5 -39.5 -21.5 29 68 A T - 0 0 34 -2,-0.7 60,-0.1 71,-0.0 59,-0.0 -0.289 48.5-101.0-106.3-163.9 11.8 -43.2 -22.0 30 69 A R S S+ 0 0 119 58,-0.2 5,-0.2 1,-0.1 -1,-0.0 0.859 118.8 50.7 -90.9 -41.5 14.1 -45.4 -24.0 31 70 A N S S+ 0 0 143 3,-0.1 2,-0.5 4,-0.0 -1,-0.1 0.456 93.4 97.0 -75.7 0.7 11.8 -46.1 -27.0 32 71 A S S > S- 0 0 27 1,-0.1 3,-2.2 2,-0.0 4,-0.1 -0.813 78.4-136.6 -91.8 128.4 11.2 -42.4 -27.1 33 72 A E G > S+ 0 0 157 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.754 100.0 69.5 -55.0 -27.1 13.4 -40.6 -29.7 34 73 A R G > S+ 0 0 87 1,-0.3 3,-1.2 2,-0.1 -1,-0.3 0.452 73.1 90.9 -74.5 1.5 14.1 -37.8 -27.2 35 74 A F G X + 0 0 33 -3,-2.2 3,-1.0 1,-0.2 -1,-0.3 0.619 68.9 75.5 -70.7 -12.0 16.2 -40.2 -25.2 36 75 A K G < S+ 0 0 138 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.612 81.1 67.2 -79.8 -11.9 19.3 -39.2 -27.1 37 76 A E G < S+ 0 0 90 -3,-1.2 2,-0.5 -4,-0.1 21,-0.3 0.609 86.5 85.9 -80.2 -12.5 19.6 -35.9 -25.2 38 77 A L < + 0 0 7 -3,-1.0 19,-0.2 -4,-0.2 17,-0.1 -0.803 57.3 168.5 -94.6 124.6 20.4 -37.9 -22.1 39 78 A T E -F 56 0B 54 17,-1.9 17,-1.3 -2,-0.5 22,-0.0 -0.983 37.2 -95.0-138.3 148.1 24.0 -38.8 -21.6 40 79 A P E -F 55 0B 49 0, 0.0 2,-0.7 0, 0.0 15,-0.2 -0.239 26.3-142.0 -62.6 143.3 26.1 -40.3 -18.7 41 80 A N - 0 0 4 13,-0.5 2,-0.3 1,-0.1 5,-0.1 -0.899 17.7-178.8-108.8 103.1 28.0 -37.9 -16.4 42 81 A Y + 0 0 181 -2,-0.7 -1,-0.1 3,-0.0 12,-0.0 -0.197 21.5 153.2 -96.4 42.0 31.3 -39.5 -15.4 43 82 A N > - 0 0 21 -2,-0.3 3,-1.3 1,-0.2 -2,-0.1 -0.621 36.1-154.8 -73.3 117.1 32.5 -36.8 -13.1 44 83 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.634 91.0 65.8 -67.4 -13.4 34.9 -38.4 -10.6 45 84 A D T 3 S+ 0 0 51 34,-0.0 35,-1.0 2,-0.0 2,-0.4 0.060 92.1 76.5 -97.2 23.6 34.1 -35.6 -8.2 46 85 A I E < S-b 80 0A 8 -3,-1.3 2,-0.6 33,-0.1 35,-0.2 -0.999 70.7-139.9-137.3 135.2 30.4 -36.7 -7.8 47 86 A I E -b 81 0A 62 33,-2.8 35,-3.3 -2,-0.4 2,-0.6 -0.836 13.5-163.7 -98.5 116.6 28.9 -39.5 -5.8 48 87 A F E -b 82 0A 24 -2,-0.6 35,-0.2 33,-0.2 6,-0.1 -0.882 5.0-162.3-101.0 118.0 26.1 -41.5 -7.5 49 88 A K 0 0 57 33,-2.1 -1,-0.2 -2,-0.6 34,-0.1 0.949 360.0 360.0 -63.5 -53.1 24.1 -43.6 -5.1 50 89 A D 0 0 152 32,-0.3 -1,-0.2 33,-0.1 33,-0.0 -0.125 360.0 360.0 57.4 360.0 22.5 -45.9 -7.7 51 ! 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 52 95 A A 0 0 68 0, 0.0 34,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 19.9 21.5 -45.4 -15.4 53 96 A D + 0 0 15 1,-0.2 33,-0.3 32,-0.1 -4,-0.1 0.485 360.0 64.7 -95.1 -5.6 21.5 -42.7 -12.7 54 97 A R S S+ 0 0 81 31,-0.1 -13,-0.5 -6,-0.1 2,-0.2 0.580 73.5 109.5 -94.4 -12.9 24.2 -40.7 -14.6 55 98 A L E +F 40 0B 20 -15,-0.2 31,-0.5 -3,-0.1 2,-0.3 -0.465 42.9 135.0 -67.7 131.8 22.1 -40.0 -17.6 56 99 A M E -F 39 0B 4 -17,-1.3 -17,-1.9 -2,-0.2 46,-0.2 -0.977 53.6 -80.9-170.6 162.0 21.1 -36.3 -17.9 57 100 A T > - 0 0 10 44,-1.7 4,-2.4 -2,-0.3 3,-0.2 -0.241 42.0-112.8 -70.2 160.4 20.7 -33.3 -20.2 58 101 A Q H > S+ 0 0 103 -21,-0.3 4,-3.1 2,-0.2 5,-0.2 0.937 116.2 52.0 -60.5 -52.1 23.7 -31.1 -21.0 59 102 A R H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.810 113.4 48.3 -56.1 -29.1 22.6 -28.0 -19.2 60 103 A C H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 109.4 51.4 -75.5 -42.7 22.1 -30.2 -16.2 61 104 A K H X S+ 0 0 27 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.908 113.0 46.6 -59.1 -44.0 25.6 -31.8 -16.7 62 105 A D H X S+ 0 0 82 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.986 114.5 43.7 -62.1 -62.2 27.1 -28.3 -16.8 63 106 A K H X S+ 0 0 41 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.829 117.8 48.0 -53.3 -35.7 25.3 -26.8 -13.8 64 107 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.902 111.8 47.6 -74.8 -42.5 26.0 -30.0 -11.9 65 108 A N H X S+ 0 0 44 -4,-2.7 4,-1.2 1,-0.2 -2,-0.2 0.879 110.4 52.9 -64.1 -39.0 29.7 -30.2 -12.9 66 109 A A H X S+ 0 0 54 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.817 111.5 47.7 -64.8 -30.8 30.1 -26.5 -11.9 67 110 A L H X S+ 0 0 0 -4,-1.0 4,-1.8 -5,-0.3 -2,-0.2 0.873 99.4 65.6 -77.4 -39.8 28.6 -27.4 -8.6 68 111 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 12,-0.2 0.869 106.9 43.8 -49.9 -41.5 30.8 -30.4 -8.0 69 112 A I H X S+ 0 0 89 -4,-1.2 4,-2.2 1,-0.2 5,-0.2 0.939 107.2 58.4 -68.2 -49.0 33.7 -28.1 -7.8 70 113 A S H X S+ 0 0 29 -4,-1.3 4,-0.7 1,-0.2 -2,-0.2 0.774 104.7 54.2 -53.9 -29.4 32.0 -25.5 -5.6 71 114 A V H >X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 3,-1.1 0.983 111.5 38.4 -71.5 -60.8 31.4 -28.2 -3.0 72 115 A M H 3< S+ 0 0 60 -4,-1.3 5,-0.3 1,-0.3 -2,-0.2 0.749 116.0 56.8 -62.6 -23.0 34.9 -29.5 -2.4 73 116 A N H 3< S+ 0 0 127 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.755 112.2 42.4 -73.8 -26.2 35.9 -25.8 -2.8 74 117 A Q H << S+ 0 0 81 -3,-1.1 -2,-0.2 -4,-0.7 -3,-0.2 0.905 120.5 32.2 -86.6 -48.8 33.5 -25.1 0.1 75 118 A W S >< S- 0 0 42 -4,-2.9 3,-1.0 3,-0.3 2,-0.5 -0.840 89.6 -98.7-116.7 151.3 34.3 -27.9 2.5 76 119 A P T 3 S- 0 0 121 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.541 99.9 -21.6 -69.1 113.1 37.4 -29.9 3.3 77 120 A G T 3 S+ 0 0 81 -2,-0.5 2,-0.5 -5,-0.3 -5,-0.1 0.705 101.4 136.8 61.4 22.6 37.4 -33.2 1.4 78 121 A V < - 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