==== 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 3POF . 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) . 11989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 51.1 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 . 8 3.5 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 0 161 0, 0.0 28,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 125.4 31.7 10.3 15.0 2 166 A a E +a 29 0A 25 26,-0.5 28,-2.0 15,-0.0 3,-0.4 0.133 360.0 118.9-160.7 28.9 30.1 9.1 11.7 3 167 A S E + 0 0 63 26,-0.3 26,-0.1 1,-0.2 28,-0.1 -0.688 60.1 34.0 -99.4 152.0 26.8 7.4 12.7 4 168 A G E + 0 0 58 -2,-0.3 -1,-0.2 1,-0.2 27,-0.2 0.694 65.5 162.6 84.4 17.7 23.4 8.4 11.7 5 169 A N E -a 31 0A 57 25,-2.0 27,-2.4 -3,-0.4 2,-0.4 -0.491 18.8-164.1 -66.9 141.9 23.9 9.8 8.2 6 170 A L E -a 32 0A 106 25,-0.2 2,-0.5 -2,-0.1 27,-0.2 -0.988 6.9-170.1-135.8 121.5 20.5 10.0 6.3 7 171 A F E +a 33 0A 62 25,-3.1 27,-2.6 -2,-0.4 5,-0.0 -0.968 18.1 166.1-118.9 124.2 20.3 10.3 2.6 8 172 A T + 0 0 100 -2,-0.5 2,-0.3 25,-0.2 28,-0.2 0.318 50.6 103.4-112.3 -2.8 17.0 11.1 0.8 9 173 A Q S S- 0 0 130 1,-0.1 25,-0.1 2,-0.1 -2,-0.0 -0.630 74.9-129.7 -78.2 143.2 18.5 12.0 -2.5 10 174 A R S S+ 0 0 133 -2,-0.3 103,-0.7 102,-0.0 2,-0.3 0.630 89.1 40.3 -70.7 -15.0 18.2 9.3 -5.2 11 175 A T E +E 112 0B 56 101,-0.2 2,-0.3 2,-0.0 101,-0.2 -0.983 69.1 130.5-133.7 150.6 21.9 9.6 -6.1 12 176 A G E -E 111 0B 23 99,-1.7 99,-2.6 -2,-0.3 2,-0.4 -0.976 42.6-121.0 178.1 169.2 25.1 9.9 -4.1 13 177 A T E -E 110 0B 80 -2,-0.3 2,-0.4 97,-0.2 97,-0.2 -0.996 26.1-169.4-126.2 136.7 28.6 8.7 -3.3 14 178 A I E -E 109 0B 8 95,-2.8 95,-2.9 -2,-0.4 2,-0.3 -0.961 6.0-178.1-127.0 137.6 29.5 7.6 0.2 15 179 A T E -E 108 0B 51 -2,-0.4 93,-0.2 93,-0.2 3,-0.1 -0.942 34.1 -98.6-130.8 160.5 32.9 6.9 1.5 16 180 A S > - 0 0 0 91,-2.3 3,-2.0 -2,-0.3 -14,-0.0 -0.363 67.4 -74.4 -62.2 156.1 34.6 5.7 4.7 17 181 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.1 0, 0.0 90,-0.0 -0.303 117.9 4.4 -59.2 133.3 35.9 8.6 6.8 18 182 A D T > S- 0 0 108 1,-0.2 3,-2.4 5,-0.1 -2,-0.1 0.376 98.8-156.7 75.4 -0.5 39.0 10.2 5.4 19 183 A Y T < S+ 0 0 38 -3,-2.0 -1,-0.2 1,-0.3 87,-0.1 -0.194 71.3 24.9 -49.5 137.7 39.0 8.0 2.2 20 184 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.926 119.4 67.1 -93.2 17.3 41.3 7.3 0.4 21 185 A N S < S- 0 0 98 -3,-2.4 83,-0.0 1,-0.2 82,-0.0 -0.496 110.0 -64.2 -87.3 162.4 43.5 7.9 3.4 22 186 A P - 0 0 47 0, 0.0 83,-0.2 0, 0.0 -1,-0.2 -0.183 51.7-122.0 -59.8 139.7 43.2 5.5 6.3 23 187 A Y - 0 0 19 81,-1.6 81,-0.3 1,-0.1 -5,-0.1 -0.369 39.8 -90.5 -70.5 157.1 39.9 5.3 8.2 24 188 A P > - 0 0 51 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.248 40.0-101.8 -70.2 155.4 40.0 6.0 11.9 25 189 A K T 3 S+ 0 0 114 1,-0.2 75,-0.2 75,-0.1 74,-0.1 -0.391 103.1 17.3 -62.2 147.6 40.4 3.4 14.6 26 190 A S T 3 S+ 0 0 61 73,-2.2 -1,-0.2 1,-0.2 2,-0.2 0.820 86.2 174.0 59.2 35.0 37.3 2.3 16.4 27 191 A S < - 0 0 9 -3,-0.8 71,-2.1 72,-0.3 2,-0.3 -0.551 21.1-176.9 -73.2 143.0 34.9 3.6 13.8 28 192 A E E + B 0 97A 32 69,-0.2 -26,-0.5 -2,-0.2 2,-0.3 -0.828 19.6 170.6-135.4 95.4 31.2 3.0 13.9 29 193 A a E -aB 2 96A 1 67,-2.9 67,-2.3 -2,-0.3 2,-0.3 -0.772 10.8-179.2-105.9 148.2 29.7 4.5 10.9 30 194 A S E - B 0 95A 25 -28,-2.0 -25,-2.0 -2,-0.3 2,-0.4 -0.989 6.2-176.6-148.3 143.3 26.1 4.2 9.5 31 195 A Y E -aB 5 94A 13 63,-2.2 63,-3.0 -2,-0.3 2,-0.5 -0.990 7.7-163.7-139.8 125.6 24.4 5.6 6.5 32 196 A T E -aB 6 93A 30 -27,-2.4 -25,-3.1 -2,-0.4 2,-0.6 -0.962 7.3-156.3-115.5 128.4 20.7 5.1 5.7 33 197 A I E -aB 7 92A 0 59,-2.5 59,-2.3 -2,-0.5 2,-0.5 -0.946 15.3-173.2-101.5 120.4 19.3 5.7 2.3 34 198 A D E + B 0 91A 79 -27,-2.6 2,-0.2 -2,-0.6 57,-0.2 -0.935 13.8 159.6-123.6 96.5 15.6 6.4 2.7 35 199 A L - 0 0 13 55,-2.8 55,-0.1 -2,-0.5 3,-0.1 -0.714 47.3 -80.6-112.5 168.1 13.6 6.7 -0.5 36 200 A E > - 0 0 158 -2,-0.2 3,-2.0 -28,-0.2 -1,-0.1 -0.370 59.8 -90.1 -66.6 143.5 9.9 6.5 -1.4 37 201 A E T 3 S+ 0 0 176 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.317 114.7 45.9 -57.7 139.6 8.5 2.9 -1.7 38 202 A G T 3 S+ 0 0 62 1,-0.6 -1,-0.2 -3,-0.1 2,-0.1 -0.229 85.2 106.4 112.4 -34.3 8.9 1.8 -5.3 39 203 A F < - 0 0 73 -3,-2.0 -1,-0.6 74,-0.1 2,-0.5 -0.467 56.6-154.4 -73.8 147.1 12.4 3.0 -5.8 40 204 A M - 0 0 97 -2,-0.1 2,-0.3 -3,-0.1 50,-0.2 -0.953 10.6-140.2-128.5 106.2 15.0 0.3 -5.9 41 205 A V - 0 0 0 48,-2.8 46,-2.4 -2,-0.5 47,-0.5 -0.474 12.4-164.7 -70.5 134.7 18.5 1.3 -4.9 42 206 A T E -FG 86 112B 60 70,-2.8 70,-2.1 -2,-0.3 2,-0.4 -0.933 10.1-166.5-113.9 138.2 21.6 -0.1 -6.9 43 207 A L E -FG 85 111B 5 42,-2.7 42,-2.4 -2,-0.4 2,-0.3 -0.955 9.2-179.0-126.2 140.7 25.0 0.2 -5.2 44 208 A Q E - G 0 110B 96 66,-2.3 66,-2.4 -2,-0.4 2,-0.2 -0.983 24.0-129.9-139.8 136.2 28.5 -0.2 -6.7 45 209 A F E - G 0 109B 19 37,-0.5 2,-0.3 -2,-0.3 64,-0.3 -0.617 30.4-161.3 -76.3 146.3 31.9 0.1 -5.0 46 210 A E - 0 0 35 62,-2.6 62,-0.4 -2,-0.2 -2,-0.0 -0.930 39.4 -14.7-129.7 150.7 34.4 2.3 -6.8 47 211 A D S S+ 0 0 110 -2,-0.3 2,-0.2 60,-0.1 61,-0.1 -0.191 112.2 8.4 62.7-154.1 38.1 2.8 -6.9 48 212 A I - 0 0 81 59,-0.1 2,-0.5 57,-0.0 60,-0.2 -0.463 60.2-169.8 -63.9 134.9 40.3 1.4 -4.2 49 213 A F + 0 0 6 30,-0.4 2,-0.3 -2,-0.2 58,-0.2 -0.998 18.9 158.5-121.8 119.0 38.6 -1.0 -1.8 50 214 A D B +H 106 0C 22 56,-2.9 56,-2.9 -2,-0.5 2,-0.4 -0.783 2.1 156.8-151.3 97.0 40.9 -1.8 1.2 51 215 A I B -I 78 0D 1 27,-2.2 27,-1.9 -2,-0.3 8,-0.1 -0.972 50.5 -96.3-123.1 137.5 39.6 -3.0 4.6 52 216 A E - 0 0 38 -2,-0.4 10,-0.6 25,-0.1 9,-0.3 -0.231 50.1-179.4 -52.9 141.2 41.7 -5.0 7.0 53 217 A D - 0 0 92 24,-0.2 -1,-0.1 8,-0.1 10,-0.0 -0.672 23.8-128.5-133.7-177.7 41.3 -8.8 6.8 54 218 A H - 0 0 38 3,-0.4 5,-0.2 -2,-0.2 23,-0.0 -0.984 18.7-131.3-136.7 147.5 42.6 -12.0 8.3 55 219 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.764 102.1 18.9 -78.9 -17.1 44.0 -15.0 6.5 56 220 A E S S+ 0 0 165 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.657 116.0 58.9-122.5 -27.3 41.8 -17.6 8.2 57 221 A V S S- 0 0 20 114,-0.0 2,-0.7 0, 0.0 -3,-0.4 -0.894 85.9-112.9-113.1 138.2 38.8 -15.9 9.9 58 222 A P S S- 0 0 99 0, 0.0 -5,-0.0 0, 0.0 18,-0.0 -0.639 79.8 -33.5 -83.4 113.5 36.3 -13.9 7.8 59 223 A b S S+ 0 0 11 -2,-0.7 -6,-0.1 -5,-0.2 -7,-0.0 0.871 75.5 157.7 49.8 59.8 36.3 -10.2 8.6 60 224 A P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.560 69.5 33.3 -86.4 -8.7 37.1 -10.2 12.2 61 225 A Y S S+ 0 0 56 1,-0.4 2,-0.3 -9,-0.3 -8,-0.1 0.837 122.8 1.7-107.1 -64.3 38.5 -6.7 12.5 62 226 A D + 0 0 2 -10,-0.6 -1,-0.4 36,-0.2 2,-0.3 -0.943 67.7 154.0-130.5 150.1 36.9 -4.2 10.2 63 227 A Y E -C 97 0A 3 34,-2.3 34,-2.4 -2,-0.3 2,-0.4 -0.978 35.8-128.9-172.2 155.6 34.1 -4.5 7.7 64 228 A I E -CD 96 76A 0 12,-1.7 12,-2.6 -2,-0.3 2,-0.3 -0.935 26.9-175.1-105.5 140.1 31.2 -3.0 5.8 65 229 A K E -C 95 0A 4 30,-2.5 30,-3.0 -2,-0.4 2,-0.4 -0.984 9.3-155.8-131.1 145.8 27.8 -4.6 5.9 66 230 A I E -CD 94 73A 0 7,-2.8 7,-2.9 -2,-0.3 2,-0.4 -0.983 9.5-172.0-124.5 135.8 24.7 -3.6 3.9 67 231 A K E +CD 93 72A 32 26,-2.8 26,-2.9 -2,-0.4 2,-0.3 -0.981 11.3 168.1-127.5 136.8 21.1 -4.4 5.0 68 232 A A E > -CD 92 71A 2 3,-2.3 3,-2.4 -2,-0.4 2,-0.2 -0.905 68.7 -43.8-146.9 122.0 17.8 -4.0 3.1 69 233 A G T 3 S- 0 0 68 22,-0.5 20,-0.0 -2,-0.3 18,-0.0 -0.437 124.3 -24.4 58.7-125.3 14.6 -5.5 4.3 70 234 A S T 3 S+ 0 0 124 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.446 118.2 102.2 -93.0 -4.0 15.6 -9.0 5.4 71 235 A K E < -D 68 0A 88 -3,-2.4 -3,-2.3 16,-0.1 2,-0.4 -0.621 49.6-169.9 -93.1 141.5 18.6 -9.2 3.1 72 236 A V E -D 67 0A 50 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.998 6.2-164.2-129.0 134.6 22.1 -8.7 4.2 73 237 A W E -D 66 0A 57 -7,-2.9 -7,-2.8 -2,-0.4 3,-0.2 -0.975 46.0 -44.2-116.7 135.8 25.3 -8.3 2.0 74 238 A G E - 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