==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 19-OCT-10 3PAR . COMPND 2 MOLECULE: PULMONARY SURFACTANT-ASSOCIATED PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR F.SHANG,M.J.RYNKIEWICZ,F.X.MCCORMACK,H.WU,T.M.CAFARELLA,J.HE . 144 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8759.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 5 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 1 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 85 A E > 0 0 189 0, 0.0 4,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.7 41.1 31.9 6.5 2 86 A E H >> + 0 0 112 2,-0.2 4,-2.5 1,-0.1 3,-0.6 0.876 360.0 66.3 -77.6 -43.3 40.4 29.8 9.6 3 87 A L H 3> S+ 0 0 100 1,-0.3 4,-3.4 2,-0.2 5,-0.4 0.918 94.7 55.3 -40.8 -64.2 44.0 30.1 10.7 4 88 A Q H 3> S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.839 111.6 44.5 -41.3 -47.0 43.8 33.8 11.3 5 89 A T H S+ 0 0 78 -4,-2.4 5,-2.6 2,-0.2 6,-0.7 0.909 113.1 49.0 -62.1 -40.9 50.0 33.4 36.6 22 106 A S H ><5S+ 0 0 54 -4,-2.8 3,-1.8 1,-0.2 5,-0.2 0.967 111.3 48.9 -62.9 -51.7 51.4 36.9 36.7 23 107 A L H 3<5S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.863 108.9 53.1 -54.7 -41.0 48.5 38.2 38.9 24 108 A Q H 3<5S- 0 0 131 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.600 114.8-120.5 -71.8 -10.7 49.0 35.2 41.3 25 109 A G T <<5S+ 0 0 41 -3,-1.8 -3,-0.2 -4,-0.5 -2,-0.1 0.734 76.1 128.9 77.4 23.5 52.6 36.2 41.5 26 110 A S S -A 33 0A 16 3,-2.9 3,-2.0 -2,-0.5 2,-0.2 -0.861 66.7 -52.9-140.8 100.6 60.9 40.2 31.1 31 115 A G T 3 S- 0 0 65 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.491 120.4 -21.8 67.1-133.6 61.1 40.3 27.3 32 116 A D T 3 S+ 0 0 169 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.432 122.3 92.6 -88.2 -0.5 61.1 36.7 26.1 33 117 A K E < -A 30 0A 29 -3,-2.0 -3,-2.9 110,-0.1 2,-0.5 -0.727 57.0-161.7 -96.1 145.5 62.2 35.3 29.5 34 118 A V E -A 29 0A 25 110,-2.3 110,-2.6 -2,-0.3 2,-0.3 -0.995 8.4-160.4-125.4 124.8 59.9 34.2 32.2 35 119 A F E +AB 28 143A 0 -7,-3.3 -7,-2.2 -2,-0.5 2,-0.3 -0.812 17.8 160.9-104.8 147.9 61.3 33.9 35.8 36 120 A S E - B 0 142A 35 106,-2.2 106,-3.6 -2,-0.3 2,-0.3 -0.982 18.4-164.1-163.1 150.4 59.7 31.9 38.5 37 121 A T E - B 0 141A 22 -2,-0.3 104,-0.2 -11,-0.3 102,-0.0 -0.973 21.2-146.3-135.8 150.8 60.6 30.3 41.9 38 122 A N E - 0 0 92 102,-0.7 3,-0.1 -2,-0.3 103,-0.1 0.161 54.8-108.4-100.5 19.0 58.8 27.6 44.0 39 123 A G E S+ 0 0 33 101,-0.4 2,-0.2 1,-0.2 102,-0.1 0.424 73.3 140.5 74.2 -0.9 60.0 29.4 47.1 40 124 A Q E - 0 0 100 100,-0.2 100,-2.8 99,-0.0 2,-0.7 -0.480 43.8-149.3 -79.9 146.4 62.6 26.7 48.0 41 125 A S E + B 0 139A 45 98,-0.2 98,-0.3 -2,-0.2 2,-0.2 -0.887 38.4 141.9-115.4 98.8 66.0 27.5 49.4 42 126 A V E - B 0 138A 19 96,-2.1 96,-2.8 -2,-0.7 94,-0.1 -0.768 50.3 -86.0-129.2 176.1 68.5 24.8 48.3 43 127 A N > - 0 0 36 -2,-0.2 4,-2.3 94,-0.2 92,-0.2 -0.230 52.0 -88.6 -77.8 174.2 72.1 24.6 47.2 44 128 A F H >> S+ 0 0 11 90,-1.9 4,-2.2 1,-0.2 3,-1.0 0.940 120.8 42.3 -46.0 -79.8 73.3 25.1 43.7 45 129 A D H 3> S+ 0 0 98 1,-0.3 4,-2.6 89,-0.3 -1,-0.2 0.845 113.5 55.7 -39.9 -44.9 73.2 21.7 42.0 46 130 A T H 3> S+ 0 0 48 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.944 109.1 47.3 -55.7 -47.7 69.9 21.1 43.7 47 131 A I H S+ 0 0 0 -4,-2.4 5,-3.4 1,-0.2 3,-0.3 0.920 113.9 44.7 -58.2 -48.3 64.8 24.0 37.0 52 136 A T H ><5S+ 0 0 78 -4,-2.3 3,-1.4 -5,-0.3 -1,-0.2 0.873 109.3 57.5 -65.6 -35.4 65.7 21.5 34.4 53 137 A R H 3<5S+ 0 0 165 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.4 49.8 -64.1 -28.3 63.2 19.1 35.8 54 138 A A T 3<5S- 0 0 68 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.438 128.1-100.3 -88.4 -1.2 60.5 21.8 35.2 55 139 A G T < 5S+ 0 0 67 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.587 93.4 86.0 93.3 10.9 61.7 22.3 31.6 56 140 A G S S- 0 0 53 41,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.980 87.6-106.0-154.8 158.2 70.6 42.7 31.2 64 148 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.875 121.0 52.3 -55.3 -38.6 70.0 45.3 33.9 65 149 A E H > S+ 0 0 137 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.919 110.4 45.4 -66.4 -44.3 66.2 44.6 33.5 66 150 A E H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.944 112.6 53.7 -62.9 -43.9 66.6 40.9 33.9 67 151 A N H X S+ 0 0 6 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.918 108.9 47.1 -55.5 -48.3 68.9 41.5 36.9 68 152 A E H X S+ 0 0 114 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.873 108.1 57.1 -61.8 -38.6 66.3 43.7 38.6 69 153 A A H X S+ 0 0 11 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.938 110.4 42.6 -59.6 -47.7 63.6 41.2 38.0 70 154 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.898 110.8 57.3 -66.2 -38.2 65.5 38.4 39.8 71 155 A A H X S+ 0 0 2 -4,-2.4 4,-3.0 -5,-0.3 -1,-0.2 0.886 102.8 54.0 -59.2 -39.4 66.4 40.9 42.5 72 156 A S H X S+ 0 0 45 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.873 109.4 47.7 -65.3 -34.1 62.7 41.6 43.1 73 157 A I H X S+ 0 0 15 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.881 111.9 50.1 -71.9 -36.3 62.1 37.9 43.6 74 158 A A H <>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 -2,-0.2 0.927 113.7 46.1 -64.4 -44.3 65.1 37.7 45.9 75 159 A K H ><5S+ 0 0 151 -4,-3.0 3,-1.7 50,-0.2 -2,-0.2 0.949 109.5 54.0 -62.5 -51.0 63.7 40.7 47.9 76 160 A K H 3<5S+ 0 0 153 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.875 116.3 37.4 -53.0 -43.9 60.2 39.2 48.0 77 161 A Y T 3<5S- 0 0 100 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.343 104.7-131.2 -92.1 8.5 61.4 36.0 49.6 78 162 A N T < 5S+ 0 0 137 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.2 0.879 70.2 108.8 42.3 49.6 64.0 37.8 51.6 79 163 A N S S- 0 0 75 1,-0.1 3,-1.2 27,-0.1 -2,-0.3 -0.590 100.1-120.7 -75.4 93.7 91.5 31.3 36.0 91 175 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.210 94.2 38.4 -33.3 147.3 89.9 32.9 39.1 92 176 A G T 3 S+ 0 0 37 1,-0.2 2,-0.5 -4,-0.1 -2,-0.1 0.241 97.8 99.1 89.3 -14.5 88.0 36.1 38.7 93 177 A D < - 0 0 85 -3,-1.2 -5,-3.7 -5,-0.0 2,-0.3 -0.909 51.6-175.2-109.8 133.4 86.5 34.8 35.5 94 178 A F E -F 87 0A 9 -2,-0.5 8,-1.9 -7,-0.3 2,-0.3 -0.901 4.8-160.7-125.7 154.6 83.0 33.2 35.3 95 179 A H E -FG 86 101A 35 -9,-2.9 -9,-2.1 -2,-0.3 6,-0.3 -0.925 28.1-100.4-133.4 158.4 81.1 31.6 32.6 96 180 A Y - 0 0 7 4,-2.8 -11,-0.2 -2,-0.3 6,-0.0 -0.428 49.0-101.8 -70.5 153.1 77.5 30.7 31.8 97 181 A L S S+ 0 0 58 -13,-0.5 -1,-0.1 1,-0.2 -12,-0.1 0.838 121.8 54.4 -46.1 -43.1 76.6 27.0 32.5 98 182 A D S S- 0 0 125 1,-0.1 -1,-0.2 2,-0.0 -13,-0.0 0.989 126.0 -95.3 -56.6 -60.3 76.9 26.0 28.8 99 183 A G S S+ 0 0 39 1,-0.2 -2,-0.1 0, 0.0 -1,-0.1 0.133 81.2 124.9 169.9 -33.9 80.3 27.5 28.5 100 184 A A - 0 0 50 -5,-0.2 -4,-2.8 1,-0.1 2,-0.4 0.029 66.5-103.2 -45.1 156.5 80.1 31.0 27.1 101 185 A S B -G 95 0A 86 -6,-0.3 -6,-0.3 1,-0.1 -1,-0.1 -0.739 42.0 -92.8 -92.1 134.9 81.8 33.7 29.3 102 186 A V + 0 0 27 -8,-1.9 -8,-0.1 -2,-0.4 -1,-0.1 -0.095 43.6 177.7 -44.3 130.1 79.7 36.0 31.4 103 187 A S + 0 0 102 1,-0.2 2,-0.2 -3,-0.0 -1,-0.1 0.839 63.0 45.2 -99.4 -73.5 78.9 39.2 29.6 104 188 A Y S S+ 0 0 45 -43,-0.1 2,-0.3 -42,-0.1 -1,-0.2 -0.516 71.2 177.1 -73.8 140.8 76.6 41.3 31.8 105 189 A T - 0 0 63 -2,-0.2 23,-0.0 -3,-0.1 -43,-0.0 -0.978 27.1-177.0-144.3 155.2 77.8 41.6 35.5 106 190 A N + 0 0 54 -2,-0.3 23,-2.4 21,-0.1 -2,-0.0 -0.260 23.4 174.7-147.1 50.1 76.6 43.4 38.6 107 191 A W B -h 129 0A 49 21,-0.3 23,-0.2 4,-0.1 3,-0.1 -0.241 37.8-111.5 -59.6 146.4 79.2 42.6 41.2 108 192 A Y > - 0 0 109 21,-2.9 3,-3.0 1,-0.2 -1,-0.1 -0.577 61.6 -69.8 -74.0 144.6 79.0 44.3 44.6 109 193 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 19,-0.0 -0.053 125.8 17.7 -41.6 123.7 81.9 46.7 44.9 110 194 A G T 3 S+ 0 0 59 1,-0.4 -2,-0.0 -3,-0.1 -3,-0.0 0.223 102.4 155.8 97.5 -15.2 85.2 44.8 45.3 111 195 A E < + 0 0 22 -3,-3.0 -1,-0.4 18,-0.2 -4,-0.1 -0.601 34.4 57.1 -91.5 156.7 83.7 41.5 43.9 112 196 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.483 78.9 116.0 -82.8 148.7 84.5 39.0 42.7 113 197 A R + 0 0 161 18,-0.2 2,-0.3 -2,-0.1 18,-0.2 -0.856 28.0 113.4-173.1 135.3 87.0 37.9 45.3 114 198 A G - 0 0 50 -2,-0.3 2,-0.7 2,-0.1 18,-0.1 -0.884 61.6 -75.3 165.8 162.1 87.2 34.9 47.7 115 199 A Q S S+ 0 0 203 -2,-0.3 2,-0.2 2,-0.0 18,-0.1 -0.674 84.4 71.7 -79.7 111.3 88.8 31.7 49.0 116 200 A G - 0 0 41 -2,-0.7 2,-0.4 3,-0.1 3,-0.3 -0.629 66.8-117.3 152.1 148.5 87.8 28.9 46.6 117 201 A K S S+ 0 0 166 1,-0.3 -28,-0.1 -2,-0.2 -27,-0.1 -0.832 96.6 8.4-104.1 144.2 88.2 27.3 43.2 118 202 A E S S- 0 0 124 -30,-0.6 -1,-0.3 -2,-0.4 2,-0.1 0.962 88.5-173.7 50.1 65.6 85.2 27.1 40.9 119 203 A K - 0 0 10 -3,-0.3 -32,-2.3 -31,-0.2 14,-0.2 -0.477 17.3-126.6 -90.2 162.5 82.9 29.3 43.0 120 204 A b E -DI 86 132A 0 12,-3.4 12,-1.8 -34,-0.2 2,-0.5 -0.373 19.7-119.8 -95.4 179.3 79.2 30.0 42.5 121 205 A V E - I 0 131A 0 -36,-0.5 -38,-3.2 -38,-0.4 2,-0.3 -0.976 23.6-170.6-129.9 121.0 77.5 33.4 42.3 122 206 A E E -DI 82 130A 2 8,-2.9 8,-2.1 -2,-0.5 2,-0.5 -0.779 16.6-135.6-106.6 152.2 74.8 34.6 44.7 123 207 A M E -DI 81 129A 0 -42,-2.0 -42,-1.4 -2,-0.3 6,-0.2 -0.926 15.1-137.7-109.9 130.2 72.7 37.7 44.3 124 208 A Y > - 0 0 49 4,-3.1 3,-2.7 -2,-0.5 -49,-0.1 -0.408 33.4-103.2 -77.1 160.6 72.1 40.0 47.3 125 209 A T T 3 S+ 0 0 49 1,-0.3 -50,-0.2 -51,-0.2 -1,-0.1 0.694 123.3 61.4 -61.5 -14.7 68.5 41.3 47.7 126 210 A D T 3 S- 0 0 93 2,-0.2 -1,-0.3 -52,-0.1 3,-0.1 0.488 119.4-110.7 -89.0 -0.9 69.8 44.7 46.3 127 211 A G S < S+ 0 0 1 -3,-2.7 -2,-0.1 1,-0.3 -56,-0.1 0.081 77.6 123.2 99.5 -25.1 70.7 42.9 43.1 128 212 A T - 0 0 21 -5,-0.1 -4,-3.1 1,-0.1 -1,-0.3 -0.303 56.1-121.1 -70.4 158.0 74.5 43.1 43.3 129 213 A W E -hI 107 123A 0 -23,-2.4 -21,-2.9 -6,-0.2 2,-0.3 -0.643 23.4-175.0-105.2 161.2 76.5 39.9 43.1 130 214 A N E - I 0 122A 17 -8,-2.1 -8,-2.9 -2,-0.2 2,-0.4 -0.982 20.4-134.2-150.1 135.4 79.0 38.1 45.3 131 215 A D E + I 0 121A 5 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.786 45.2 120.6 -98.3 137.8 81.0 34.9 44.5 132 216 A R E - I 0 120A 87 -12,-1.8 -12,-3.4 -2,-0.4 -18,-0.0 -0.886 56.4 -25.3-165.8-163.7 81.2 32.1 47.1 133 217 A G - 0 0 37 -2,-0.3 3,-0.3 -14,-0.2 -1,-0.2 -0.080 41.8-138.1 -59.7 162.5 80.6 28.4 47.8 134 218 A b S S+ 0 0 28 1,-0.2 -90,-1.9 -16,-0.1 -89,-0.3 0.318 88.3 77.8-104.4 6.2 77.9 26.5 46.0 135 219 A L + 0 0 129 -92,-0.2 -1,-0.2 -91,-0.1 -92,-0.1 0.208 67.6 106.0-102.8 16.0 76.6 24.6 49.1 136 220 A Q S S- 0 0 74 -3,-0.3 2,-0.9 -94,-0.1 -92,-0.2 -0.382 79.1-102.2 -87.3 171.8 74.6 27.4 50.7 137 221 A Y + 0 0 152 -94,-0.1 2,-0.3 -2,-0.1 -57,-0.3 -0.842 51.1 169.5-100.6 105.0 70.8 27.5 50.8 138 222 A R E -B 42 0A 24 -96,-2.8 -96,-2.1 -2,-0.9 -57,-0.2 -0.844 43.2 -91.2-117.4 152.3 69.6 29.9 48.2 139 223 A L E -Be 41 81A 2 -59,-2.7 2,-0.9 -2,-0.3 -57,-0.7 -0.373 42.9-128.7 -58.9 127.4 66.2 30.7 46.7 140 224 A A E + 0 0 1 -100,-2.8 -102,-0.7 -59,-0.1 2,-0.4 -0.734 34.4 175.7 -85.9 109.9 65.7 28.6 43.6 141 225 A V E -B 37 0A 0 -2,-0.9 -82,-2.5 -59,-0.4 2,-0.3 -0.951 7.3-167.6-116.2 133.7 64.8 30.8 40.7 142 226 A a E -BC 36 58A 10 -106,-3.6 -106,-2.2 -2,-0.4 2,-0.4 -0.785 10.8-146.4-117.4 161.9 64.3 29.5 37.2 143 227 A E E BC 35 57A 29 -86,-2.8 -86,-1.9 -2,-0.3 -108,-0.2 -0.966 360.0 360.0-125.5 143.3 64.0 31.1 33.8 144 228 A F 0 0 121 -110,-2.6 -110,-2.3 -2,-0.4 -88,-0.1 -0.913 360.0 360.0-128.5 360.0 61.9 29.7 30.9