==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-13 4KKD . COMPND 2 MOLECULE: MANNAN-BINDING LECTIN SERINE PROTEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.YONGQING,P.G.WILMANN,S.B.REEVE,T.H.COETZER,A.I.SMITH,J.C.W . 795 8 14 10 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 461 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 246 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 71 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 2 0 0 1 2 1 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 . 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 . 13 10 7 12 9 2 1 2 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 . 4 4 2 0 0 2 0 2 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 86 0, 0.0 53,-0.0 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 110.1 58.0 -146.2 8.7 2 299 A N - 0 0 104 21,-0.2 22,-0.6 52,-0.1 54,-0.3 -0.239 360.0-113.9 -54.8 137.8 57.2 -144.8 12.2 3 300 A E E -A 23 0A 71 20,-0.2 20,-0.3 52,-0.1 -1,-0.1 -0.497 16.1-142.5 -94.3 138.9 53.8 -143.3 12.1 4 301 A a E -A 22 0A 1 18,-2.2 18,-0.9 -2,-0.2 53,-0.1 -0.654 33.7-104.1 -89.7 150.0 52.5 -139.8 12.4 5 302 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.029 42.5 -79.4 -68.8 176.5 49.3 -139.0 14.3 6 303 A E - 0 0 153 1,-0.1 2,-0.5 15,-0.0 14,-0.1 -0.372 42.0-129.7 -78.2 152.8 45.9 -138.2 12.9 7 304 A L - 0 0 24 -2,-0.1 8,-0.1 54,-0.0 -1,-0.1 -0.875 4.9-149.9-110.9 131.5 44.9 -134.7 11.7 8 305 A Q - 0 0 169 -2,-0.5 3,-0.1 6,-0.0 54,-0.1 -0.877 29.1-124.6 -89.4 126.0 41.9 -132.6 12.6 9 306 A P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 5,-0.1 -0.394 32.9-101.8 -65.7 147.5 41.0 -130.4 9.6 10 307 A P > - 0 0 14 0, 0.0 3,-2.1 0, 0.0 54,-0.1 -0.333 45.5 -85.1 -71.2 152.4 40.8 -126.6 10.5 11 308 A V T 3 S+ 0 0 120 1,-0.3 54,-0.4 -3,-0.1 3,-0.1 -0.368 118.9 14.5 -51.1 128.1 37.5 -124.9 11.1 12 309 A H T 3 S+ 0 0 88 1,-0.2 21,-3.0 -3,-0.1 -1,-0.3 0.651 121.7 63.3 79.4 16.1 36.3 -124.0 7.6 13 310 A G E < -B 32 0B 15 -3,-2.1 19,-0.3 19,-0.3 2,-0.3 -0.880 64.8-126.2-152.1-171.0 38.7 -126.1 5.6 14 311 A K E -B 31 0B 84 17,-2.2 17,-2.5 -2,-0.3 2,-0.3 -0.853 11.3-133.6-136.4 168.6 39.9 -129.6 4.7 15 312 A I E -B 30 0B 9 -2,-0.3 3,-0.3 15,-0.2 15,-0.2 -0.940 28.6-121.7-120.3 147.8 43.1 -131.7 4.5 16 313 A E E S+B 29 0B 105 13,-1.4 13,-4.5 1,-0.3 2,-0.1 -0.976 86.9 22.2-150.5 143.8 44.2 -133.9 1.7 17 314 A P S S- 0 0 62 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.468 78.2-165.9 -77.9 142.5 44.9 -136.6 1.3 18 315 A S + 0 0 90 -3,-0.3 2,-0.3 -2,-0.1 3,-0.1 -0.826 21.2 164.8 -87.1 115.1 42.8 -137.6 4.4 19 316 A Q - 0 0 83 -2,-0.7 3,-0.1 1,-0.1 -3,-0.0 -0.847 48.3-111.4-126.5 170.0 43.8 -141.2 5.3 20 317 A A S S+ 0 0 84 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.968 100.7 11.3 -61.7 -58.9 43.3 -143.5 8.3 21 318 A K - 0 0 120 -15,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.877 67.5-151.3-121.7 156.9 47.0 -143.6 9.3 22 319 A Y E -A 4 0A 3 -18,-0.9 -18,-2.2 -2,-0.3 2,-0.2 -0.990 16.7-171.8-128.2 136.1 50.0 -141.5 8.2 23 320 A F E > -A 3 0A 87 -2,-0.4 3,-0.9 -20,-0.3 29,-0.3 -0.638 40.3 -42.3-122.9 179.8 53.6 -142.8 8.1 24 321 A F T 3 S+ 0 0 78 -22,-0.6 29,-0.2 1,-0.2 -1,-0.2 -0.059 122.3 14.3 -45.0 130.6 57.1 -141.5 7.5 25 322 A K T 3 S+ 0 0 138 27,-3.4 2,-0.3 1,-0.2 -1,-0.2 0.766 86.7 155.1 74.7 29.6 57.5 -139.1 4.6 26 323 A D < - 0 0 39 -3,-0.9 26,-2.2 26,-0.3 2,-0.4 -0.701 28.6-153.3 -90.5 138.6 53.8 -138.4 4.2 27 324 A Q E + C 0 51B 110 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.940 14.3 177.7-112.9 133.3 52.5 -135.1 2.6 28 325 A V E - C 0 50B 2 22,-2.5 22,-2.6 -2,-0.4 2,-0.6 -0.979 19.0-143.4-130.8 145.5 49.2 -133.4 3.3 29 326 A L E -BC 16 49B 68 -13,-4.5 -13,-1.4 -2,-0.3 2,-0.5 -0.930 8.0-160.8-110.1 116.2 47.6 -130.2 2.0 30 327 A V E +BC 15 48B 1 18,-2.8 18,-1.9 -2,-0.6 2,-0.3 -0.824 24.7 163.6 -86.1 129.6 45.5 -128.2 4.4 31 328 A S E -BC 14 47B 13 -17,-2.5 -17,-2.2 -2,-0.5 2,-0.3 -0.901 27.5-119.0-138.7 172.2 43.3 -125.7 2.4 32 329 A b E -B 13 0B 21 14,-0.5 -19,-0.3 -2,-0.3 6,-0.1 -0.773 26.2 -98.0-117.8 154.9 40.2 -123.7 3.1 33 330 A D > - 0 0 75 -21,-3.0 3,-2.3 -2,-0.3 -1,-0.1 -0.146 58.4 -79.7 -57.9 167.5 36.6 -123.4 1.9 34 331 A T T 3 S+ 0 0 108 1,-0.3 -2,-0.1 -21,-0.0 -1,-0.1 0.786 126.7 48.7 -46.3 -50.2 35.7 -120.8 -0.7 35 332 A G T 3 S+ 0 0 0 32,-0.1 33,-3.0 57,-0.1 2,-0.3 0.413 108.5 69.1 -73.5 9.1 35.4 -117.7 1.6 36 333 A Y E < -D 67 0C 41 -3,-2.3 2,-0.3 31,-0.2 -4,-0.3 -0.868 56.6-155.4-137.3 154.6 38.7 -118.4 3.3 37 334 A K E -D 66 0C 66 29,-2.3 29,-2.7 -2,-0.3 2,-0.3 -0.936 39.5-100.0-123.3 149.3 42.5 -118.5 3.0 38 335 A V E -DE 65 45C 0 7,-2.8 7,-1.9 -2,-0.3 2,-0.5 -0.517 39.1-150.7 -67.3 129.0 45.0 -120.5 5.1 39 336 A L E +DE 64 44C 46 25,-3.9 25,-1.6 -2,-0.3 2,-0.3 -0.908 29.2 149.3-109.7 128.0 46.5 -118.4 7.8 40 337 A K E > S- E 0 43C 50 3,-2.2 3,-2.4 -2,-0.5 -2,-0.0 -0.914 73.1 -10.9-153.4 125.7 50.0 -119.0 9.1 41 338 A D T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.822 124.5 -60.9 56.6 32.0 52.6 -116.5 10.5 42 339 A N T 3 S+ 0 0 159 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.522 112.8 117.3 72.3 6.6 50.4 -113.7 9.2 43 340 A V E < -E 40 0C 88 -3,-2.4 -3,-2.2 2,-0.0 2,-0.4 -0.853 57.3-143.2-101.0 143.0 50.7 -114.9 5.6 44 341 A E E +E 39 0C 86 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.887 25.8 172.5-105.4 140.1 47.6 -116.0 3.8 45 342 A M E -E 38 0C 51 -7,-1.9 -7,-2.8 -2,-0.4 3,-0.1 -0.931 40.4-130.9-145.4 161.0 47.9 -118.9 1.4 46 343 A D S S+ 0 0 105 1,-0.3 -14,-0.5 -2,-0.3 2,-0.3 0.725 94.0 4.2 -86.7 -25.6 45.7 -121.1 -0.7 47 344 A T E -C 31 0B 67 -16,-0.2 2,-0.4 -9,-0.1 -1,-0.3 -0.973 62.1-155.1-156.6 154.6 47.2 -124.3 0.5 48 345 A F E -C 30 0B 25 -18,-1.9 -18,-2.8 -2,-0.3 2,-0.4 -0.996 15.9-137.5-142.3 132.9 49.8 -125.4 3.1 49 346 A Q E -C 29 0B 99 -2,-0.4 2,-0.4 -20,-0.2 -20,-0.2 -0.774 15.3-171.4-103.4 133.2 51.9 -128.5 3.1 50 347 A I E -C 28 0B 0 -22,-2.6 -22,-2.5 -2,-0.4 2,-0.4 -0.935 7.2-159.1-122.5 140.7 52.6 -130.7 6.1 51 348 A E E -C 27 0B 67 -2,-0.4 8,-2.5 -24,-0.2 2,-0.9 -0.956 19.7-123.7-126.7 142.3 55.0 -133.6 6.1 52 349 A a B -F 58 0D 0 -26,-2.2 -27,-3.4 -2,-0.4 -26,-0.3 -0.736 33.4-148.6 -85.9 105.7 55.4 -136.7 8.4 53 350 A L > - 0 0 65 4,-2.6 3,-2.0 -2,-0.9 4,-0.1 -0.244 25.7-103.5 -72.6 158.2 59.0 -136.6 9.8 54 351 A K T 3 S+ 0 0 145 1,-0.3 -30,-0.1 2,-0.1 -52,-0.1 0.913 117.4 59.8 -41.6 -55.6 61.0 -139.8 10.7 55 352 A D T 3 S- 0 0 102 1,-0.2 -1,-0.3 2,-0.0 -52,-0.1 0.267 121.5-101.4 -67.8 13.4 60.4 -139.3 14.4 56 353 A G S < S+ 0 0 17 -3,-2.0 2,-0.3 -54,-0.3 -1,-0.2 0.516 86.6 122.6 78.9 3.9 56.6 -139.5 14.1 57 354 A T - 0 0 72 -53,-0.1 -4,-2.6 -4,-0.1 -1,-0.3 -0.711 61.6-123.5 -93.1 149.0 56.2 -135.8 14.4 58 355 A W B -F 52 0D 27 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.646 20.7-121.0 -85.5 151.1 54.5 -133.6 11.7 59 356 A S S S+ 0 0 47 -8,-2.5 2,-0.3 -2,-0.2 -1,-0.1 0.874 92.6 2.1 -58.8 -39.8 56.5 -130.7 10.2 60 357 A N S S- 0 0 58 -9,-0.2 -1,-0.1 3,-0.0 2,-0.1 -0.953 78.5-105.2-139.7 163.2 53.9 -128.2 11.4 61 358 A K - 0 0 187 -2,-0.3 -54,-0.0 1,-0.1 -2,-0.0 -0.393 57.3 -84.3 -74.3 164.3 50.7 -128.1 13.4 62 359 A I - 0 0 43 -2,-0.1 -1,-0.1 1,-0.1 -54,-0.0 -0.618 54.0-142.0 -76.6 128.3 47.5 -127.7 11.3 63 360 A P - 0 0 20 0, 0.0 2,-0.3 0, 0.0 -23,-0.1 0.162 15.9 -92.9 -83.3-156.4 47.0 -124.0 10.8 64 361 A T E -D 39 0C 82 -25,-1.6 -25,-3.9 -54,-0.1 2,-0.6 -0.755 20.2-123.7-123.1 154.4 44.0 -121.9 10.7 65 362 A b E -D 38 0C 19 -54,-0.4 2,-0.3 -2,-0.3 -27,-0.2 -0.922 22.9-158.2-100.6 118.4 41.5 -120.6 8.1 66 363 A K E -D 37 0C 60 -29,-2.7 -29,-2.3 -2,-0.6 2,-0.2 -0.725 19.5-122.4 -87.6 139.8 41.0 -116.8 7.9 67 364 A I E -D 36 0C 48 -2,-0.3 -31,-0.2 -31,-0.2 2,-0.2 -0.577 35.6-100.7 -79.6 148.1 37.8 -115.5 6.4 68 365 A V - 0 0 13 -33,-3.0 24,-2.8 -2,-0.2 2,-0.5 -0.452 34.3-155.9 -72.5 135.6 38.2 -113.2 3.4 69 366 A D B -G 91 0E 53 22,-0.3 22,-0.2 -2,-0.2 3,-0.1 -0.966 16.7-170.2-119.1 121.5 38.0 -109.4 4.1 70 367 A c - 0 0 12 20,-2.3 53,-0.2 -2,-0.5 21,-0.1 0.290 37.8-148.3 -88.5 9.1 37.0 -106.9 1.4 71 368 A R - 0 0 163 19,-0.2 -1,-0.2 51,-0.1 52,-0.0 0.223 50.5 -12.7 49.9-176.1 37.9 -104.0 3.7 72 369 A A S S- 0 0 84 1,-0.1 2,-0.1 -3,-0.1 3,-0.1 -0.228 79.2-120.6 -49.3 128.2 36.1 -100.6 3.7 73 370 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.520 38.3 -88.1 -74.3 149.0 34.1 -100.4 0.6 74 371 A G - 0 0 43 -2,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.223 47.3-111.3 -51.2 135.0 35.0 -97.5 -1.7 75 372 A E - 0 0 147 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.393 29.0-131.5 -71.5 148.3 33.1 -94.3 -0.9 76 373 A L > - 0 0 16 3,-0.1 3,-0.8 23,-0.1 2,-0.5 -0.824 18.6-113.1-107.6 144.9 30.5 -93.0 -3.4 77 374 A E T 3 S- 0 0 146 -2,-0.3 58,-0.4 1,-0.3 3,-0.1 -0.644 98.5 -8.4 -87.8 121.3 30.2 -89.5 -4.7 78 375 A H T 3 S+ 0 0 67 -2,-0.5 23,-2.9 1,-0.3 -1,-0.3 0.476 127.0 94.2 68.3 5.2 27.1 -87.6 -3.6 79 376 A G E < -H 100 0F 16 -3,-0.8 -1,-0.3 21,-0.3 2,-0.3 -0.588 61.9-147.1-114.8 177.7 26.1 -91.1 -2.3 80 377 A L E -H 99 0F 82 19,-3.2 19,-2.4 -2,-0.2 2,-0.5 -0.954 15.2-116.6-143.6 164.6 26.4 -92.9 1.0 81 378 A I E -H 98 0F 32 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.897 18.2-171.8-111.1 127.4 26.8 -96.5 2.3 82 379 A T E -H 97 0F 81 15,-2.6 15,-3.2 -2,-0.5 2,-0.3 -0.975 19.4-140.3-109.8 125.4 24.4 -98.5 4.3 83 380 A F E -H 96 0F 50 -2,-0.5 13,-0.2 13,-0.2 7,-0.1 -0.639 18.7-124.5 -77.4 141.6 25.6 -101.8 5.7 84 381 A S S S+ 0 0 65 11,-2.7 2,-0.3 -2,-0.3 12,-0.1 0.657 96.7 30.1 -60.2 -12.4 23.0 -104.6 5.6 85 382 A T S > S- 0 0 74 10,-0.3 3,-2.5 4,-0.1 4,-0.1 -0.991 84.7-115.8-150.3 146.4 23.6 -105.0 9.3 86 383 A R T 3 S+ 0 0 232 -2,-0.3 -2,-0.1 1,-0.3 -3,-0.0 0.608 111.0 71.5 -62.6 -11.8 24.5 -102.8 12.2 87 384 A N T 3 S- 0 0 122 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.690 92.2-145.5 -73.9 -17.3 27.7 -104.8 12.5 88 385 A N < - 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