==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-NOV-10 3POJ . COMPND 2 MOLECULE: MANNAN-BINDING LECTIN SERINE PROTEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR A.R.GINGRAS,P.C.E.MOODY,R.WALLIS . 227 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 34.4 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 . 2 0.9 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 0.9 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 . 9 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.8 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+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 4 2 0 4 2 2 2 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 2 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 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 1 165 A E 0 0 172 0, 0.0 28,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 122.3 35.3 -6.6 -10.1 2 166 A a E +a 29 0A 23 26,-0.6 28,-1.9 15,-0.0 3,-0.4 0.069 360.0 122.8-158.1 29.2 34.2 -4.9 -13.6 3 167 A S E + 0 0 56 26,-0.3 26,-0.1 1,-0.2 28,-0.1 -0.675 58.5 32.3 -94.2 150.1 32.5 -1.7 -12.5 4 168 A G E + 0 0 57 -2,-0.3 -1,-0.2 1,-0.2 27,-0.2 0.707 66.0 163.3 84.4 18.4 33.4 1.8 -13.5 5 169 A N E -a 31 0A 56 25,-2.2 27,-2.5 -3,-0.4 2,-0.4 -0.480 17.8-165.2 -67.2 144.6 34.8 1.4 -17.0 6 170 A L E -a 32 0A 103 25,-0.2 2,-0.5 -2,-0.1 27,-0.2 -0.984 6.3-170.3-138.9 120.8 35.0 4.7 -18.8 7 171 A F E +a 33 0A 60 25,-3.0 27,-2.6 -2,-0.4 5,-0.0 -0.962 19.0 167.0-120.3 125.0 35.4 5.0 -22.6 8 172 A T + 0 0 101 -2,-0.5 2,-0.3 25,-0.2 28,-0.2 0.331 51.6 103.2-110.5 -2.3 36.1 8.3 -24.4 9 173 A Q S S- 0 0 130 1,-0.1 25,-0.1 2,-0.1 -2,-0.0 -0.630 74.7-130.0 -78.8 144.0 37.1 6.7 -27.6 10 174 A R S S+ 0 0 131 -2,-0.3 103,-0.5 103,-0.0 2,-0.3 0.600 87.6 40.8 -71.7 -14.6 34.4 6.9 -30.4 11 175 A T E +E 112 0B 58 101,-0.2 2,-0.3 30,-0.1 101,-0.2 -0.985 67.7 125.1-133.8 148.0 34.7 3.2 -31.3 12 176 A G E -E 111 0B 25 99,-1.7 99,-2.6 -2,-0.3 2,-0.4 -0.964 44.3-115.4 178.2 171.7 35.0 -0.0 -29.3 13 177 A T E -E 110 0B 89 -2,-0.3 2,-0.4 97,-0.2 97,-0.2 -0.993 26.8-168.7-122.4 136.8 33.9 -3.5 -28.5 14 178 A I E -E 109 0B 7 95,-2.7 95,-3.0 -2,-0.4 2,-0.3 -0.947 6.6-179.1-126.4 136.9 32.7 -4.4 -25.0 15 179 A T E -E 108 0B 47 -2,-0.4 93,-0.2 93,-0.2 3,-0.1 -0.947 34.8 -98.5-130.4 161.2 32.0 -7.8 -23.6 16 180 A S > - 0 0 0 91,-2.2 3,-2.1 -2,-0.3 -14,-0.0 -0.340 67.6 -74.2 -63.2 154.8 30.8 -9.4 -20.5 17 181 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 90,-0.0 -0.316 117.7 4.6 -58.4 133.6 33.7 -10.7 -18.3 18 182 A D T > S- 0 0 107 1,-0.2 3,-2.4 5,-0.1 -2,-0.1 0.356 98.6-156.7 73.8 1.7 35.3 -13.8 -19.8 19 183 A Y T < S+ 0 0 22 -3,-2.1 -1,-0.2 1,-0.3 87,-0.1 -0.154 70.6 25.2 -50.6 137.4 33.1 -13.8 -22.9 20 184 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.908 119.2 67.4 -93.4 16.1 32.4 -16.2 -24.7 21 185 A N S < S- 0 0 96 -3,-2.4 83,-0.0 1,-0.2 82,-0.0 -0.510 110.0 -64.3 -87.2 162.5 33.0 -18.4 -21.7 22 186 A P - 0 0 49 0, 0.0 83,-0.2 0, 0.0 -1,-0.2 -0.207 52.5-122.0 -58.1 139.6 30.6 -18.1 -18.8 23 187 A Y - 0 0 21 81,-1.6 81,-0.2 1,-0.1 -5,-0.1 -0.293 38.7 -89.8 -73.9 156.3 30.5 -14.8 -16.9 24 188 A P > - 0 0 51 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.304 41.0-103.6 -67.2 153.6 31.2 -14.7 -13.2 25 189 A K T 3 S+ 0 0 118 1,-0.2 75,-0.2 75,-0.1 74,-0.1 -0.345 102.3 19.1 -65.8 147.0 28.6 -15.2 -10.6 26 190 A S T 3 S+ 0 0 61 73,-2.4 -1,-0.2 1,-0.2 2,-0.2 0.797 86.2 173.9 62.6 36.2 27.4 -12.1 -8.8 27 191 A S < - 0 0 8 -3,-0.8 71,-2.1 72,-0.3 2,-0.3 -0.535 21.0-177.7 -74.7 142.0 28.8 -9.7 -11.4 28 192 A E E + B 0 97A 33 69,-0.2 -26,-0.6 -2,-0.2 2,-0.3 -0.812 19.3 169.5-135.3 95.0 28.1 -6.0 -11.3 29 193 A a E -aB 2 96A 1 67,-2.9 67,-2.3 -2,-0.3 2,-0.3 -0.746 11.2-178.4-106.3 149.4 29.7 -4.4 -14.4 30 194 A S E - B 0 95A 21 -28,-1.9 -25,-2.2 -2,-0.3 2,-0.4 -0.987 6.7-175.0-147.2 144.1 29.3 -0.9 -15.7 31 195 A Y E -aB 5 94A 12 63,-2.4 63,-2.7 -2,-0.3 2,-0.5 -0.978 7.7-164.1-138.6 123.1 30.7 0.8 -18.8 32 196 A T E -aB 6 93A 25 -27,-2.5 -25,-3.0 -2,-0.4 2,-0.6 -0.924 6.8-156.3-111.9 129.7 30.2 4.5 -19.5 33 197 A I E -aB 7 92A 0 59,-2.6 59,-2.3 -2,-0.5 2,-0.5 -0.934 14.5-173.3-103.8 121.4 30.8 6.0 -22.9 34 198 A D E + B 0 91A 80 -27,-2.6 2,-0.3 -2,-0.6 57,-0.2 -0.936 13.8 159.8-125.6 92.8 31.5 9.7 -22.5 35 199 A L - 0 0 13 55,-2.7 55,-0.1 -2,-0.5 3,-0.1 -0.762 47.2 -82.3-110.7 167.7 31.8 11.6 -25.8 36 200 A E > - 0 0 160 -2,-0.3 3,-2.1 -28,-0.2 -1,-0.1 -0.365 60.3 -88.9 -67.6 144.8 31.5 15.3 -26.6 37 201 A E T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.293 115.1 44.2 -59.0 138.5 27.9 16.6 -27.0 38 202 A G T 3 S+ 0 0 62 1,-0.5 -1,-0.3 -3,-0.1 2,-0.2 -0.187 85.2 107.5 110.0 -36.1 26.8 16.2 -30.6 39 203 A F < - 0 0 76 -3,-2.1 -1,-0.5 74,-0.1 2,-0.5 -0.510 56.3-154.5 -68.1 147.9 28.1 12.7 -31.1 40 204 A M - 0 0 75 -2,-0.2 2,-0.3 50,-0.1 50,-0.2 -0.957 9.8-140.7-130.2 108.8 25.4 10.0 -31.2 41 205 A V - 0 0 0 48,-2.8 46,-2.2 -2,-0.5 47,-0.5 -0.518 12.6-164.2 -73.7 135.2 26.4 6.6 -30.1 42 206 A T E -FG 86 112B 59 70,-2.7 70,-2.2 -2,-0.3 2,-0.4 -0.924 9.6-164.3-116.6 140.4 25.1 3.5 -32.1 43 207 A L E -FG 85 111B 6 42,-2.9 42,-2.1 -2,-0.4 2,-0.3 -0.956 9.9-177.8-124.7 142.2 25.3 0.1 -30.5 44 208 A Q E - G 0 110B 98 66,-2.4 66,-2.6 -2,-0.4 2,-0.3 -0.983 23.1-132.0-139.0 136.5 25.0 -3.5 -31.9 45 209 A F E - G 0 109B 18 37,-0.5 2,-0.3 -2,-0.3 64,-0.3 -0.609 30.7-161.4 -78.5 145.8 25.2 -6.8 -30.2 46 210 A E - 0 0 44 62,-2.6 62,-0.5 -2,-0.3 -2,-0.0 -0.934 39.2 -15.9-132.0 146.9 27.4 -9.3 -32.0 47 211 A D S S+ 0 0 110 -2,-0.3 2,-0.2 60,-0.1 61,-0.1 -0.141 112.4 9.2 63.5-154.6 27.9 -13.1 -32.1 48 212 A I - 0 0 80 59,-0.1 2,-0.4 57,-0.0 60,-0.2 -0.454 60.2-169.7 -62.5 131.8 26.5 -15.3 -29.3 49 213 A F + 0 0 5 30,-0.4 2,-0.3 -2,-0.2 58,-0.2 -0.999 19.3 157.6-119.5 117.2 24.1 -13.5 -26.9 50 214 A D B +H 106 0C 23 56,-3.0 56,-2.8 -2,-0.4 2,-0.4 -0.771 2.6 157.3-150.6 96.7 23.3 -15.8 -23.9 51 215 A I B -I 78 0D 1 27,-2.2 27,-1.9 -2,-0.3 8,-0.1 -0.970 49.8 -98.1-121.1 137.3 22.1 -14.4 -20.6 52 216 A E + 0 0 38 -2,-0.4 10,-0.6 25,-0.2 9,-0.3 -0.229 50.0 177.3 -52.7 144.8 20.2 -16.6 -18.1 53 217 A D - 0 0 90 24,-0.2 -1,-0.1 8,-0.1 10,-0.0 -0.641 24.3-124.2-136.0-171.3 16.4 -16.1 -18.2 54 218 A H - 0 0 37 3,-0.4 5,-0.2 -2,-0.2 7,-0.0 -0.996 18.2-129.5-142.2 148.1 13.2 -17.4 -16.7 55 219 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.724 102.8 17.2 -79.5 -12.8 10.2 -18.9 -18.5 56 220 A E S S+ 0 0 162 1,-0.2 0, 0.0 -3,-0.0 0, 0.0 0.645 115.4 61.4-125.8 -27.0 7.6 -16.7 -16.7 57 221 A V S S- 0 0 20 114,-0.0 2,-0.8 1,-0.0 -3,-0.4 -0.870 86.7-113.1-110.8 136.3 9.3 -13.7 -15.1 58 222 A P S S- 0 0 99 0, 0.0 -5,-0.0 0, 0.0 18,-0.0 -0.585 80.1 -35.8 -80.3 112.3 11.2 -11.1 -17.4 59 223 A b S S+ 0 0 13 -2,-0.8 -6,-0.1 -5,-0.2 -7,-0.0 0.882 76.1 158.2 48.7 63.0 14.9 -11.2 -16.7 60 224 A P + 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.504 69.1 35.9 -90.3 -4.6 14.9 -11.8 -12.9 61 225 A Y S S+ 0 0 56 1,-0.4 2,-0.3 -9,-0.3 -8,-0.1 0.807 122.3 1.3-108.5 -65.7 18.4 -13.3 -12.6 62 226 A D + 0 0 2 -10,-0.6 -1,-0.4 36,-0.2 2,-0.3 -0.944 68.4 152.0-132.5 149.2 21.0 -11.7 -14.9 63 227 A Y E -C 97 0A 4 34,-2.3 34,-2.3 -2,-0.3 2,-0.4 -0.974 37.0-127.0-171.8 156.6 20.6 -8.9 -17.5 64 228 A I E -CD 96 76A 0 12,-1.7 12,-2.5 -2,-0.3 2,-0.3 -0.938 27.4-175.6-104.7 141.7 22.1 -6.1 -19.5 65 229 A K E -C 95 0A 4 30,-2.6 30,-3.0 -2,-0.4 2,-0.4 -0.991 8.4-157.2-134.2 142.7 20.5 -2.7 -19.3 66 230 A I E -CD 94 73A 0 7,-2.8 7,-2.8 -2,-0.3 2,-0.4 -0.980 8.5-172.2-122.9 137.7 21.4 0.5 -21.3 67 231 A K E +CD 93 72A 32 26,-2.9 26,-2.8 -2,-0.4 2,-0.3 -0.970 11.7 171.5-127.8 142.5 20.6 4.0 -20.3 68 232 A A E > S-CD 92 71A 8 3,-2.5 3,-2.4 -2,-0.4 24,-0.1 -0.932 70.3 -46.4-147.9 116.5 21.1 7.4 -22.2 69 233 A G T 3 S- 0 0 70 22,-0.5 20,-0.0 -2,-0.3 -1,-0.0 -0.382 124.5 -23.0 55.7-122.4 19.5 10.5 -20.7 70 234 A S T 3 S+ 0 0 127 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.530 117.8 101.7 -95.3 -2.3 16.0 9.5 -19.8 71 235 A K E < -D 68 0A 105 -3,-2.4 -3,-2.5 16,-0.1 2,-0.4 -0.591 50.0-170.9 -90.8 140.2 15.9 6.6 -22.2 72 236 A V E -D 67 0A 34 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.993 7.8-164.1-128.0 138.5 16.4 2.9 -21.1 73 237 A W E -D 66 0A 41 -7,-2.8 -7,-2.8 -2,-0.4 3,-0.2 -0.976 45.8 -43.1-119.8 135.5 16.8 -0.2 -23.2 74 238 A G E - 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