==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 16-MAY-10 3N1O . COMPND 2 MOLECULE: INDIAN HEDGEHOG PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.KAVRAN,D.J.LEAHY . 451 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 14.4 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 . 3 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 . 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 . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 0 0 0 0 0 0 3 0 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 6 2 7 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 . 3 0 0 0 3 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 43 A K 0 0 238 0, 0.0 2,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -50.5 2.0 -1.3 52.8 2 44 A L - 0 0 62 125,-0.0 125,-0.1 0, 0.0 124,-0.1 -0.793 360.0-167.1 -96.7 103.0 2.1 -2.6 49.3 3 45 A V - 0 0 100 -2,-0.9 0, 0.0 123,-0.1 0, 0.0 -0.785 25.1-122.9 -86.8 123.8 2.6 0.1 46.8 4 46 A P - 0 0 71 0, 0.0 119,-0.3 0, 0.0 2,-0.2 -0.232 26.8-104.8 -63.2 153.9 1.9 -1.1 43.2 5 47 A L - 0 0 5 117,-2.5 2,-0.2 116,-0.2 120,-0.1 -0.565 35.4-120.5 -75.0 144.3 4.6 -0.9 40.6 6 48 A A > - 0 0 55 -2,-0.2 3,-2.3 1,-0.1 132,-0.3 -0.516 40.8 -82.0 -80.6 155.2 4.1 1.9 38.0 7 49 A Y T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.2 132,-0.1 -0.330 119.3 13.2 -56.8 134.1 3.9 1.0 34.3 8 50 A K T 3 S+ 0 0 94 130,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.387 99.7 131.5 76.1 -2.3 7.3 0.6 32.8 9 51 A Q < - 0 0 74 -3,-2.3 129,-2.7 129,-0.1 2,-0.3 -0.554 36.2-169.6 -80.8 145.8 8.8 0.4 36.3 10 52 A F E -A 137 0A 59 127,-0.2 127,-0.2 -2,-0.2 -4,-0.0 -0.977 17.0-113.1-136.1 151.2 11.2 -2.4 37.3 11 53 A S E S+A 136 0A 29 125,-2.5 125,-2.2 -2,-0.3 2,-0.2 -0.993 99.0 34.0-141.6 128.2 12.7 -3.5 40.6 12 54 A P S S- 0 0 47 0, 0.0 2,-1.7 0, 0.0 124,-0.1 0.546 99.3-121.1 -65.5 163.1 15.5 -3.4 41.6 13 55 A N S S+ 0 0 134 -2,-0.2 -2,-0.1 122,-0.0 3,-0.1 -0.010 82.5 88.0 -73.7 35.3 15.9 -0.1 39.6 14 56 A V S S- 0 0 58 -2,-1.7 4,-0.1 1,-0.1 0, 0.0 -0.833 92.7 -70.4-126.9 164.1 18.7 -1.5 37.5 15 57 A P > - 0 0 90 0, 0.0 3,-0.8 0, 0.0 7,-0.2 -0.185 51.6-117.0 -50.4 150.9 19.0 -3.4 34.2 16 58 A E T 3 S+ 0 0 25 1,-0.2 6,-2.4 5,-0.1 2,-0.7 0.918 103.8 51.9 -61.6 -52.7 17.7 -7.0 34.6 17 59 A K T 3 S+ 0 0 64 5,-0.2 -1,-0.2 4,-0.2 2,-0.2 -0.033 88.5 108.6 -86.9 36.4 20.8 -9.1 33.9 18 60 A T S X >S- 0 0 53 -3,-0.8 5,-2.3 -2,-0.7 3,-1.5 -0.688 81.2 -94.9-113.2 167.6 23.1 -7.3 36.3 19 61 A L T 3 5S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 130,-0.0 0.875 118.8 42.0 -50.2 -62.9 24.6 -8.4 39.6 20 62 A G T 3 5S+ 0 0 63 2,-0.1 -1,-0.3 3,-0.0 -3,-0.1 0.677 123.2 42.7 -61.1 -15.0 22.2 -7.0 42.2 21 63 A A T < 5S- 0 0 0 -3,-1.5 128,-0.2 -6,-0.2 -4,-0.2 0.504 131.1 -37.6 -99.7-120.4 19.2 -8.1 40.0 22 64 A S T 5S- 0 0 1 -6,-2.4 128,-0.4 1,-0.2 -5,-0.2 0.542 84.4-134.4 -87.0 -6.2 18.8 -11.4 38.1 23 65 A G < - 0 0 13 -5,-2.3 -1,-0.2 -7,-0.6 -5,-0.1 -0.140 43.1 -29.1 75.7-177.8 22.5 -11.5 37.2 24 66 A R - 0 0 185 1,-0.1 126,-0.2 -3,-0.1 -6,-0.1 -0.342 68.1 -95.0 -78.8 149.8 23.9 -12.3 33.8 25 67 A Y - 0 0 46 -8,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.296 28.6-160.5 -51.5 137.5 22.5 -14.5 31.0 26 68 A E - 0 0 82 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.057 50.9 -82.9-116.1 20.6 23.9 -18.1 31.2 27 69 A G - 0 0 22 2,-0.0 -1,-0.3 73,-0.0 0, 0.0 0.262 54.0 -64.6 94.4 147.0 23.0 -19.2 27.7 28 70 A K - 0 0 96 -3,-0.1 2,-0.6 1,-0.1 77,-0.2 -0.251 37.9-143.2 -66.1 148.9 20.0 -20.5 25.9 29 71 A I - 0 0 0 75,-2.9 2,-0.2 63,-0.2 77,-0.1 -0.923 19.9-177.1-116.2 104.6 18.5 -23.9 26.7 30 72 A A > - 0 0 30 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.606 42.5-106.0 -89.5 158.7 17.1 -25.8 23.7 31 73 A R T 3 S+ 0 0 21 1,-0.3 5,-0.1 -2,-0.2 -1,-0.1 0.872 120.7 54.8 -47.7 -41.0 15.4 -29.1 24.1 32 74 A S T 3 S+ 0 0 96 3,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.328 88.3 105.0 -83.3 8.7 18.5 -30.8 22.7 33 75 A S S X S- 0 0 31 -3,-2.2 3,-1.1 1,-0.1 4,-0.2 -0.602 72.5-134.9 -90.6 149.7 20.9 -29.3 25.3 34 76 A E G > S+ 0 0 131 1,-0.2 3,-1.6 -2,-0.2 -1,-0.1 0.813 107.6 69.2 -65.6 -28.7 22.4 -31.1 28.3 35 77 A R G > S+ 0 0 39 1,-0.3 3,-3.4 2,-0.2 4,-0.4 0.732 74.9 87.7 -57.5 -23.9 21.5 -27.9 30.2 36 78 A F G X S+ 0 0 17 -3,-1.1 3,-1.5 1,-0.3 -1,-0.3 0.778 74.1 68.4 -48.9 -30.5 17.8 -29.1 29.7 37 79 A K G < S+ 0 0 139 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.602 85.4 70.4 -68.6 -9.2 18.2 -31.1 32.9 38 80 A E G < S+ 0 0 103 -3,-3.4 25,-0.4 -4,-0.1 -1,-0.3 0.802 85.6 84.2 -72.9 -28.9 18.4 -27.8 34.7 39 81 A L < - 0 0 14 -3,-1.5 23,-0.2 -4,-0.4 21,-0.1 -0.383 60.6-171.0 -75.9 152.1 14.7 -27.2 34.0 40 82 A T E -F 61 0B 36 21,-2.5 21,-1.8 66,-0.1 26,-0.1 -0.996 26.0-105.9-145.9 140.7 12.0 -28.8 36.2 41 83 A P E -F 60 0B 20 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.372 20.0-149.1 -71.0 142.3 8.2 -29.0 35.7 42 84 A N + 0 0 0 17,-1.4 18,-0.0 1,-0.1 21,-0.0 -0.947 20.8 170.6-109.5 112.3 5.8 -26.8 37.6 43 85 A Y + 0 0 13 -2,-0.6 -1,-0.1 3,-0.0 327,-0.1 0.038 14.2 160.1-108.3 23.4 2.5 -28.6 38.2 44 86 A N > - 0 0 1 1,-0.2 3,-1.3 2,-0.1 162,-0.2 -0.292 32.6-152.5 -51.2 117.4 1.0 -26.1 40.6 45 87 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 161,-0.1 0.605 92.1 55.9 -68.8 -15.0 -2.8 -26.7 40.5 46 88 A D T 3 S+ 0 0 32 2,-0.0 39,-0.8 24,-0.0 2,-0.4 0.112 90.8 83.7-109.5 19.1 -3.4 -23.1 41.5 47 89 A I E < S-b 85 0A 6 -3,-1.3 2,-0.7 37,-0.1 39,-0.2 -0.989 72.2-137.3-121.0 132.1 -1.5 -21.5 38.6 48 90 A I E -b 86 0A 70 37,-2.9 39,-3.4 -2,-0.4 2,-0.7 -0.782 14.2-160.7 -89.1 118.7 -3.1 -20.9 35.2 49 91 A F E -b 87 0A 20 -2,-0.7 39,-0.2 37,-0.2 10,-0.1 -0.892 8.7-158.2-100.4 116.3 -0.7 -21.8 32.4 50 92 A K - 0 0 97 37,-2.9 -1,-0.2 -2,-0.7 38,-0.1 0.915 16.7-171.1 -55.4 -45.1 -1.9 -20.2 29.1 51 93 A D > + 0 0 23 36,-0.4 3,-1.6 -3,-0.1 37,-0.1 0.903 12.6 170.7 55.0 48.9 0.2 -22.8 27.2 52 94 A E T 3 S+ 0 0 81 36,-0.3 -1,-0.1 1,-0.3 37,-0.1 0.851 73.9 52.3 -62.2 -35.4 -0.3 -21.0 23.8 53 95 A E T 3 S- 0 0 103 1,-0.1 -1,-0.3 293,-0.0 -2,-0.1 0.527 103.2-133.5 -79.1 -3.9 2.1 -23.3 22.0 54 96 A N S < S+ 0 0 78 -3,-1.6 291,-0.1 292,-0.1 -2,-0.1 0.507 81.3 102.4 69.4 5.6 0.3 -26.4 23.3 55 97 A T S S- 0 0 17 291,-0.1 321,-0.2 292,-0.1 -1,-0.1 0.610 85.5-127.5 -95.3 -13.2 3.6 -28.0 24.3 56 98 A G > + 0 0 4 -5,-0.1 3,-2.0 1,-0.1 4,-0.2 0.577 69.1 133.6 71.0 10.3 3.4 -27.3 28.1 57 99 A A G > + 0 0 6 1,-0.3 3,-1.7 2,-0.2 34,-0.6 0.756 55.8 77.1 -60.5 -23.6 6.9 -25.8 27.7 58 100 A D G 3 S+ 0 0 10 1,-0.3 -1,-0.3 32,-0.2 33,-0.1 0.684 89.9 56.4 -56.4 -21.5 5.5 -22.9 29.8 59 101 A R G < S+ 0 0 20 -3,-2.0 -17,-1.4 31,-0.1 2,-0.6 0.558 83.9 93.8 -91.9 -10.9 5.8 -25.2 32.9 60 102 A L E < +F 41 0B 6 -3,-1.7 31,-0.5 -4,-0.2 2,-0.3 -0.775 52.7 129.2 -93.8 119.3 9.5 -25.9 32.5 61 103 A M E -F 40 0B 3 -21,-1.8 -21,-2.5 -2,-0.6 46,-0.2 -0.923 58.8 -69.0-157.5 170.4 11.7 -23.6 34.5 62 104 A T > - 0 0 16 44,-2.5 4,-2.9 -2,-0.3 5,-0.2 -0.317 44.4-114.6 -69.6 155.8 14.5 -23.5 37.1 63 105 A Q H > S+ 0 0 84 -25,-0.4 4,-2.2 1,-0.2 5,-0.1 0.864 118.9 52.8 -57.4 -35.6 13.9 -24.7 40.6 64 106 A R H > S+ 0 0 38 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.934 109.6 46.4 -66.9 -47.5 14.4 -21.1 41.8 65 107 A C H > S+ 0 0 0 41,-0.2 4,-3.1 1,-0.2 5,-0.2 0.948 111.4 53.5 -57.4 -50.4 11.9 -19.7 39.4 66 108 A K H X S+ 0 0 19 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.912 108.7 48.8 -50.3 -49.6 9.4 -22.4 40.3 67 109 A D H X S+ 0 0 12 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.872 113.3 44.5 -66.3 -39.5 9.7 -21.6 44.0 68 110 A R H X S+ 0 0 12 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.940 113.7 52.8 -66.4 -45.3 9.2 -17.9 43.7 69 111 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.894 108.0 50.3 -55.8 -44.9 6.3 -18.5 41.2 70 112 A N H X S+ 0 0 1 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.916 109.6 49.0 -62.9 -44.9 4.5 -20.8 43.7 71 113 A S H X S+ 0 0 7 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.895 110.2 52.0 -64.0 -39.1 4.7 -18.4 46.6 72 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.917 103.8 58.5 -58.9 -43.9 3.4 -15.7 44.4 73 115 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.866 108.3 46.3 -54.3 -37.7 0.5 -18.0 43.5 74 116 A I H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.850 113.3 46.1 -77.2 -35.6 -0.4 -18.2 47.1 75 117 A S H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.821 107.7 58.9 -77.0 -29.4 -0.2 -14.4 47.9 76 118 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 7,-0.2 0.929 107.7 45.4 -60.0 -45.8 -2.2 -13.7 44.7 77 119 A M H < S+ 0 0 45 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.825 113.5 52.3 -68.1 -29.4 -5.1 -15.8 46.0 78 120 A N H < S+ 0 0 46 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.886 110.6 45.8 -70.0 -40.3 -4.6 -14.0 49.3 79 121 A Q H < S+ 0 0 74 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.908 127.7 22.8 -72.4 -41.7 -4.7 -10.5 47.8 80 122 A W S >< S- 0 0 35 -4,-2.5 3,-1.9 3,-0.2 -1,-0.3 -0.900 76.7-142.9-130.7 106.1 -7.8 -11.3 45.7 81 123 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.417 93.4 25.9 -61.8 138.9 -10.2 -14.1 46.5 82 124 A G T 3 S+ 0 0 81 1,-0.2 2,-0.4 -5,-0.1 -5,-0.1 0.138 106.0 100.6 91.6 -19.2 -11.4 -15.7 43.3 83 125 A V < - 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0 0 96 1,-0.2 -1,-0.4 -2,-0.2 2,-0.4 0.275 68.7 -72.5 -72.6-155.3 15.7 -10.1 22.7 99 141 A E S S+ 0 0 168 1,-0.2 -1,-0.2 0, 0.0 0, 0.0 -0.856 120.0 15.2 -95.2 144.4 19.1 -11.7 22.5 100 142 A E S S+ 0 0 111 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.891 85.7 175.3 61.5 41.4 20.1 -13.3 25.7 101 143 A S > - 0 0 10 -3,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.607 37.4-135.3 -78.5 139.8 16.6 -13.4 27.2 102 144 A L G > >S+ 0 0 0 1,-0.3 5,-2.4 -2,-0.3 3,-1.4 0.724 104.0 72.1 -67.8 -18.9 16.2 -15.1 30.5 103 145 A H G > 5S+ 0 0 0 1,-0.2 -11,-2.5 4,-0.2 3,-0.9 0.736 85.5 67.4 -59.7 -24.7 13.1 -16.7 29.0 104 146 A Y G < 5S+ 0 0 14 -3,-1.7 -75,-2.9 1,-0.2 -1,-0.2 0.605 108.6 34.4 -78.4 -10.4 15.5 -18.8 26.9 105 147 A E G < 5S- 0 0 3 -3,-1.4 -1,-0.2 -77,-0.2 -2,-0.2 0.039 117.3 -99.2-133.4 27.5 16.7 -20.7 29.9 106 148 A G T < 5S+ 0 0 1 -3,-0.9 -44,-2.5 -45,-0.1 -41,-0.2 0.756 92.3 113.8 65.1 27.9 13.7 -20.9 32.1 107 149 A R < + 0 0 2 -5,-2.4 41,-1.8 -46,-0.2 2,-0.3 0.350 67.8 56.0-108.1 2.3 14.6 -18.0 34.4 108 150 A A E - 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