==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-DEC-12 4IGD . COMPND 2 MOLECULE: MANNAN-BINDING LECTIN SERINE PROTEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.HARMAT,M.MEGYERI,A.VEGH,J.DOBO . 397 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19357.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 31.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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-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 . 35 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 8 4 6 5 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 1 0 1 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 1 298 A G 0 0 94 0, 0.0 54,-0.2 0, 0.0 53,-0.1 0.000 360.0 360.0 360.0-127.4 28.0 -76.8 40.2 2 299 A N + 0 0 90 52,-0.2 22,-2.4 51,-0.2 2,-0.4 -0.891 360.0 64.1-140.9 30.3 26.2 -76.2 38.1 3 300 A E E -A 23 0A 101 20,-0.2 20,-0.2 52,-0.2 50,-0.0 -0.902 56.1-140.1-111.0 140.2 23.2 -73.9 38.3 4 301 A a E -A 22 0A 3 18,-1.5 18,-0.6 -2,-0.4 53,-0.2 -0.686 30.4 -93.8 -98.7 152.2 23.4 -70.1 38.8 5 302 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.024 51.6 -81.7 -57.7 161.5 21.1 -68.0 41.0 6 303 A E - 0 0 99 1,-0.1 2,-0.3 15,-0.0 14,-0.1 -0.427 52.1-127.3 -63.5 138.8 18.0 -66.3 39.7 7 304 A L - 0 0 33 -2,-0.1 -1,-0.1 -3,-0.1 8,-0.1 -0.691 8.4-140.0 -97.5 144.8 18.9 -63.0 38.1 8 305 A Q - 0 0 148 -2,-0.3 6,-0.1 6,-0.1 54,-0.0 -0.893 16.9-134.0-103.2 115.9 17.4 -59.5 38.8 9 306 A P - 0 0 65 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.487 32.4-114.2 -63.5 134.1 16.8 -57.2 35.8 10 307 A P > - 0 0 18 0, 0.0 3,-1.4 0, 0.0 2,-0.2 -0.151 39.4 -82.8 -65.6 164.7 18.1 -53.8 36.7 11 308 A V T 3 S+ 0 0 110 1,-0.3 54,-0.4 21,-0.0 3,-0.1 -0.536 120.2 11.9 -68.9 133.4 15.7 -50.8 37.0 12 309 A H T 3 S+ 0 0 84 1,-0.3 21,-3.2 -2,-0.2 -1,-0.3 0.812 124.5 81.2 66.4 31.0 15.0 -49.4 33.6 13 310 A G E < -B 32 0B 15 -3,-1.4 19,-0.3 19,-0.3 -1,-0.3 -0.813 58.8-151.2-149.3-172.4 16.6 -52.5 32.1 14 311 A K E -B 31 0B 83 17,-2.3 17,-2.0 -2,-0.2 2,-0.4 -0.951 12.6-124.3-159.6 173.8 16.1 -56.1 31.1 15 312 A I E -B 30 0B 19 -2,-0.3 15,-0.2 15,-0.2 3,-0.0 -0.986 26.8-122.4-134.0 142.2 17.9 -59.5 30.7 16 313 A E E S+B 29 0B 113 13,-1.6 13,-3.0 -2,-0.4 2,-0.1 -0.999 84.5 26.3-143.5 143.5 18.1 -61.9 27.7 17 314 A P S S- 0 0 66 0, 0.0 2,-1.1 0, 0.0 -1,-0.2 0.586 80.7-144.5 -76.3 152.3 17.5 -64.6 27.1 18 315 A S + 0 0 113 -2,-0.1 2,-0.3 -3,-0.0 -2,-0.1 -0.706 30.7 171.8 -85.2 98.3 14.8 -64.8 29.8 19 316 A Q - 0 0 74 -2,-1.1 3,-0.1 1,-0.1 0, 0.0 -0.804 40.1-136.2-108.7 149.7 15.1 -68.4 31.2 20 317 A A S S+ 0 0 119 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.890 95.6 15.1 -67.5 -40.7 13.3 -69.9 34.2 21 318 A K S S- 0 0 36 -15,-0.1 2,-0.4 -3,-0.0 -1,-0.2 -0.999 72.8-147.3-137.4 139.7 16.5 -71.6 35.3 22 319 A Y E -A 4 0A 16 -18,-0.6 -18,-1.5 -2,-0.4 2,-0.3 -0.883 17.0-172.5-109.5 138.0 20.1 -70.9 34.2 23 320 A F E > -A 3 0A 94 -2,-0.4 3,-1.9 -20,-0.2 29,-0.3 -0.828 40.2 -52.7-128.1 165.4 22.8 -73.6 34.0 24 321 A F T 3 S+ 0 0 78 -22,-2.4 29,-0.2 -2,-0.3 -1,-0.2 0.080 121.4 15.6 -39.7 134.0 26.6 -73.8 33.4 25 322 A K T 3 S+ 0 0 146 27,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.438 89.8 138.8 78.6 1.9 27.9 -72.1 30.3 26 323 A D < - 0 0 42 -3,-1.9 26,-2.7 26,-0.1 2,-0.4 -0.489 37.5-154.9 -72.3 147.9 24.7 -70.1 29.8 27 324 A Q E - C 0 51B 106 24,-0.2 2,-0.3 -2,-0.2 24,-0.2 -0.965 11.0-171.6-130.1 144.2 25.1 -66.5 28.8 28 325 A V E - C 0 50B 2 22,-2.9 22,-2.6 -2,-0.4 2,-0.5 -0.989 15.7-142.0-135.2 145.1 22.9 -63.4 29.2 29 326 A L E -BC 16 49B 70 -13,-3.0 -13,-1.6 -2,-0.3 2,-0.5 -0.919 13.6-151.1-103.2 127.4 23.0 -59.8 28.0 30 327 A V E +BC 15 48B 0 18,-3.3 18,-1.8 -2,-0.5 2,-0.2 -0.872 27.7 164.4 -95.1 126.1 22.0 -57.0 30.3 31 328 A S E -BC 14 47B 15 -17,-2.0 -17,-2.3 -2,-0.5 2,-0.3 -0.770 25.0-125.6-132.5 178.9 20.5 -54.0 28.6 32 329 A b E -B 13 0B 20 14,-0.5 -19,-0.3 -19,-0.3 3,-0.1 -0.850 25.2 -96.5-130.0 163.1 18.4 -50.9 29.4 33 330 A D > - 0 0 80 -21,-3.2 3,-2.0 -2,-0.3 -1,-0.1 -0.038 63.5 -62.5 -67.2 174.7 15.2 -49.2 28.3 34 331 A T T 3 S+ 0 0 104 1,-0.3 -1,-0.2 -21,-0.0 3,-0.1 -0.405 127.5 22.9 -59.0 130.8 15.0 -46.4 25.8 35 332 A G T 3 S+ 0 0 4 84,-0.3 33,-3.3 1,-0.3 2,-0.3 0.386 111.0 88.3 91.2 -3.1 16.9 -43.4 27.1 36 333 A Y E < -D 67 0C 49 -3,-2.0 2,-0.3 31,-0.3 -1,-0.3 -0.892 54.7-163.9-124.5 156.3 19.1 -45.4 29.4 37 334 A K E -D 66 0C 62 29,-2.3 29,-2.3 -2,-0.3 2,-0.2 -0.934 32.7 -91.8-134.4 160.7 22.4 -47.2 29.0 38 335 A V E -DE 65 45C 0 7,-2.5 7,-1.7 -2,-0.3 2,-0.6 -0.529 35.5-152.6 -71.4 134.7 24.4 -49.9 30.9 39 336 A L E +DE 64 44C 41 25,-2.8 25,-1.1 -2,-0.2 2,-0.5 -0.905 21.7 166.8-114.7 106.1 26.8 -48.5 33.4 40 337 A K E > S- E 0 43C 60 3,-2.2 3,-1.0 -2,-0.6 -2,-0.0 -0.924 77.5 -31.1-119.9 105.7 29.9 -50.6 34.2 41 338 A D T 3 S- 0 0 140 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.914 123.3 -49.5 53.6 49.0 32.6 -48.8 36.1 42 339 A N T 3 S+ 0 0 142 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.663 113.4 120.4 65.0 19.6 31.7 -45.5 34.5 43 340 A V E < -E 40 0C 81 -3,-1.0 -3,-2.2 2,-0.0 2,-0.3 -0.969 57.3-139.5-113.0 125.0 31.8 -46.9 31.0 44 341 A E E +E 39 0C 114 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.637 29.8 166.5 -84.2 139.6 28.5 -46.7 29.0 45 342 A M E -E 38 0C 56 -7,-1.7 -7,-2.5 -2,-0.3 3,-0.1 -0.997 44.1-131.1-152.5 151.3 27.5 -49.6 26.9 46 343 A D S S+ 0 0 112 -2,-0.3 -14,-0.5 1,-0.2 2,-0.3 0.903 94.1 3.8 -66.6 -43.5 24.5 -51.0 25.0 47 344 A T E -C 31 0B 64 -16,-0.1 2,-0.4 -9,-0.1 -1,-0.2 -0.980 59.2-153.3-143.1 153.2 24.8 -54.4 26.6 48 345 A F E -C 30 0B 37 -18,-1.8 -18,-3.3 -2,-0.3 2,-0.5 -0.996 20.2-137.6-128.2 137.4 26.8 -56.3 29.2 49 346 A Q E +C 29 0B 98 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.2 -0.816 20.3 177.8-105.9 129.5 27.4 -60.0 29.2 50 347 A I E -C 28 0B 0 -22,-2.6 -22,-2.9 -2,-0.5 2,-0.3 -0.893 8.9-162.7-119.1 152.6 27.3 -62.4 32.1 51 348 A E E -C 27 0B 69 -2,-0.3 8,-2.3 -24,-0.2 2,-0.6 -0.977 25.0-111.4-136.6 153.4 27.7 -66.2 32.1 52 349 A a B -F 58 0D 0 -26,-2.7 -27,-3.3 -2,-0.3 6,-0.2 -0.720 38.1-145.5 -83.4 119.0 27.0 -69.1 34.4 53 350 A L > - 0 0 50 4,-2.8 3,-1.7 -2,-0.6 -51,-0.2 -0.340 23.8-106.4 -84.5 165.2 30.2 -70.6 35.7 54 351 A K T 3 S+ 0 0 53 1,-0.3 -52,-0.2 2,-0.1 -30,-0.1 0.838 118.9 56.5 -58.6 -35.6 31.0 -74.3 36.5 55 352 A D T 3 S- 0 0 107 -54,-0.2 -1,-0.3 2,-0.1 -52,-0.2 0.515 123.1-102.7 -78.3 -5.0 30.8 -73.6 40.2 56 353 A G S < S+ 0 0 10 -3,-1.7 2,-0.3 1,-0.4 -2,-0.1 0.626 84.4 115.2 94.6 15.7 27.3 -72.2 39.9 57 354 A T - 0 0 71 -53,-0.2 -4,-2.8 -55,-0.0 -1,-0.4 -0.870 67.4-109.9-115.3 151.8 28.1 -68.5 40.2 58 355 A W B -F 52 0D 29 -2,-0.3 -6,-0.2 -6,-0.2 -8,-0.0 -0.501 24.9-121.8 -77.2 148.8 27.7 -65.8 37.6 59 356 A S S S- 0 0 39 -8,-2.3 2,-0.3 -2,-0.2 -1,-0.1 0.790 90.0 -0.3 -61.7 -29.8 30.8 -64.3 36.0 60 357 A N S S- 0 0 81 -9,-0.2 2,-0.2 3,-0.0 -2,-0.1 -0.938 80.5 -92.7-150.3 172.7 29.8 -60.8 37.2 61 358 A K - 0 0 74 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.574 52.9 -87.6 -89.4 155.5 27.2 -58.9 39.1 62 359 A I - 0 0 47 -2,-0.2 -1,-0.1 1,-0.1 -12,-0.0 -0.459 46.6-142.8 -63.9 119.4 24.2 -57.2 37.4 63 360 A P - 0 0 8 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.012 18.1-109.0 -70.3-175.6 25.2 -53.7 36.3 64 361 A T E -D 39 0C 84 -25,-1.1 -25,-2.8 -54,-0.1 2,-0.6 -0.715 16.4-117.0-116.9 167.5 22.9 -50.7 36.5 65 362 A b E -D 38 0C 18 -54,-0.4 2,-0.4 -2,-0.2 -27,-0.2 -0.919 27.4-164.6-109.4 113.4 21.0 -48.5 34.0 66 363 A K E -D 37 0C 63 -29,-2.3 -29,-2.3 -2,-0.6 3,-0.1 -0.804 27.1-108.4 -98.9 136.4 22.0 -44.8 33.9 67 364 A I E -D 36 0C 50 -2,-0.4 -31,-0.3 -31,-0.2 -32,-0.1 -0.281 43.9 -97.4 -60.9 144.0 19.9 -42.2 32.2 68 365 A V - 0 0 9 -33,-3.3 24,-2.6 23,-0.1 2,-0.6 -0.317 32.6-143.6 -65.4 143.9 21.3 -40.8 29.0 69 366 A D B -G 91 0E 45 22,-0.2 22,-0.3 1,-0.1 3,-0.1 -0.916 14.8-168.9-117.1 107.6 23.2 -37.5 29.2 70 367 A c - 0 0 9 20,-1.9 53,-0.3 -2,-0.6 21,-0.2 0.560 37.8-157.5 -67.4 -6.6 22.8 -35.1 26.3 71 368 A R - 0 0 165 19,-0.7 -1,-0.2 51,-0.1 50,-0.0 -0.221 46.3 -2.3 65.2-152.0 25.7 -33.3 28.0 72 369 A A S S- 0 0 82 -3,-0.1 51,-0.1 1,-0.1 3,-0.1 -0.607 76.6-121.8 -81.5 126.2 26.3 -29.6 27.3 73 370 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.158 37.2 -88.3 -60.1 155.9 24.0 -27.8 24.8 74 371 A G - 0 0 32 1,-0.1 2,-0.3 49,-0.1 0, 0.0 -0.387 46.7-106.0 -67.0 143.8 25.4 -26.1 21.7 75 372 A E - 0 0 176 -3,-0.1 2,-0.8 -2,-0.1 -1,-0.1 -0.543 25.3-146.2 -75.1 130.8 26.4 -22.4 22.2 76 373 A L > - 0 0 18 -2,-0.3 3,-2.7 3,-0.1 2,-0.2 -0.866 17.0-132.7 -99.6 107.5 24.1 -19.9 20.6 77 374 A E T 3 S+ 0 0 147 -2,-0.8 58,-0.4 1,-0.3 3,-0.1 -0.406 94.9 5.5 -59.9 126.0 26.1 -17.0 19.3 78 375 A H T 3 S+ 0 0 43 1,-0.3 23,-3.1 -2,-0.2 -1,-0.3 0.652 122.7 98.2 70.6 17.3 24.2 -13.8 20.5 79 376 A G E < -H 100 0F 11 -3,-2.7 2,-0.3 21,-0.3 -1,-0.3 -0.682 62.9-131.0-128.4-179.2 21.9 -16.1 22.4 80 377 A L E -H 99 0F 91 19,-2.4 19,-1.8 -2,-0.2 2,-0.5 -0.974 9.1-136.9-138.3 148.9 21.2 -17.6 25.9 81 378 A I E -H 98 0F 58 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.927 18.5-175.1-109.3 123.1 20.6 -21.0 27.4 82 379 A T E -H 97 0F 82 15,-2.2 15,-1.1 -2,-0.5 -2,-0.0 -0.913 14.9-146.7-122.1 105.3 17.8 -21.2 30.0 83 380 A F E -H 96 0F 54 -2,-0.5 13,-0.2 13,-0.2 7,-0.1 -0.216 17.7-125.6 -65.1 157.9 17.4 -24.6 31.7 84 381 A S S S+ 0 0 80 11,-1.5 2,-0.3 5,-0.2 -1,-0.1 0.113 89.7 37.4 -94.5 21.4 13.9 -25.8 32.8 85 382 A T S > S- 0 0 54 10,-0.1 3,-1.7 4,-0.0 -2,-0.1 -0.966 84.2-111.4-165.9 154.7 15.1 -26.4 36.4 86 383 A R T 3 S+ 0 0 99 -2,-0.3 -3,-0.0 1,-0.3 -2,-0.0 0.572 115.0 58.2 -68.3 -7.8 17.4 -25.0 39.0 87 384 A N T 3 S- 0 0 127 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.465 102.7-129.1 -99.9 -3.8 19.6 -28.0 38.7 88 385 A N < - 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