==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-OCT-06 2J8J . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SAMUEL,H.CHENG,P.W.RILEY,A.A.CANUTESCU,Z.BU,P.N.WALSH, . 180 2 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 28.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 . 1 0.6 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 . 30 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.9 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 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 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 . 2 0 5 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 272 A F 0 0 238 0, 0.0 2,-0.5 0, 0.0 82,-0.1 0.000 360.0 360.0 360.0-178.7 22.8 9.8 8.1 2 273 A a + 0 0 24 80,-0.2 2,-0.3 81,-0.1 84,-0.1 -0.854 360.0 166.8-109.2 131.0 21.2 6.6 6.8 3 274 A H - 0 0 136 -2,-0.5 2,-0.3 82,-0.0 77,-0.2 -0.955 55.2 -76.2-132.6 152.2 22.0 3.1 7.9 4 275 A S + 0 0 57 77,-0.5 2,-0.4 -2,-0.3 77,-0.2 -0.303 62.8 169.7 -50.4 105.4 20.1 -0.2 7.2 5 276 A S E -A 80 0A 68 75,-0.8 75,-2.4 -2,-0.3 2,-0.6 -0.985 17.3-168.1-130.2 119.8 17.3 0.2 9.7 6 277 A F E -A 79 0A 75 -2,-0.4 2,-0.5 73,-0.2 73,-0.2 -0.899 2.6-165.6-117.0 105.5 14.3 -2.2 9.6 7 278 A Y E -A 78 0A 49 71,-1.8 71,-1.1 -2,-0.6 3,-0.4 -0.789 15.2-151.0 -94.1 124.4 11.2 -1.2 11.7 8 279 A H + 0 0 113 -2,-0.5 69,-0.2 69,-0.2 68,-0.2 -0.504 67.8 19.5 -97.1 159.6 8.8 -4.0 12.2 9 280 A D S S+ 0 0 77 66,-0.4 64,-1.8 -2,-0.2 66,-0.6 0.447 114.1 78.1 69.2 3.6 5.0 -4.1 12.7 10 281 A T E -Bc 72 77A 26 66,-0.9 68,-0.8 -3,-0.4 2,-0.5 -0.938 60.2-167.4-152.1 112.8 4.9 -0.6 11.3 11 282 A D E -B 71 0A 3 60,-0.8 60,-2.4 -2,-0.4 2,-0.6 -0.901 6.3-159.8-108.5 130.4 5.1 0.5 7.7 12 283 A F E +B 70 0A 65 -2,-0.5 2,-0.4 58,-0.2 58,-0.2 -0.935 16.8 170.0-109.6 113.5 5.7 4.1 6.7 13 284 A L E +B 69 0A 3 56,-2.6 56,-2.8 -2,-0.6 4,-0.1 -0.942 6.5 168.9-121.9 148.2 4.7 5.2 3.2 14 285 A G - 0 0 4 -2,-0.4 48,-0.2 2,-0.3 -1,-0.1 0.664 60.0 -14.2-117.7 -81.7 4.6 8.7 1.8 15 286 A E S S+ 0 0 31 46,-0.5 47,-0.2 1,-0.2 145,-0.1 0.830 108.0 36.0 -95.9 -91.0 4.2 9.5 -1.8 16 287 A E E -D 61 0A 86 45,-2.0 45,-1.0 1,-0.0 2,-0.4 -0.341 55.9-164.2 -80.2 145.0 4.6 6.9 -4.6 17 288 A L E +D 60 0A 8 43,-0.2 2,-0.3 144,-0.1 43,-0.2 -0.982 17.3 156.2-124.4 140.2 3.7 3.2 -4.3 18 289 A D E -D 59 0A 42 41,-2.0 41,-2.6 -2,-0.4 2,-0.4 -0.971 20.0-160.0-157.9 153.0 4.9 0.5 -6.7 19 290 A I E -D 58 0A 3 144,-0.4 146,-0.4 -2,-0.3 2,-0.3 -0.982 7.4-167.8-142.3 123.9 5.3 -3.3 -6.5 20 291 A V E -D 57 0A 47 37,-2.1 37,-3.1 -2,-0.4 2,-0.8 -0.784 23.4-122.6-112.0 155.8 7.4 -5.5 -8.7 21 292 A A + 0 0 71 -2,-0.3 2,-0.3 35,-0.2 35,-0.3 -0.847 47.2 147.5-102.8 103.5 7.5 -9.3 -9.0 22 293 A A - 0 0 39 -2,-0.8 2,-0.1 33,-0.4 6,-0.1 -0.985 43.1-117.0-135.9 145.7 10.9 -10.7 -8.3 23 294 A K S S+ 0 0 186 -2,-0.3 32,-0.1 1,-0.1 31,-0.0 -0.483 90.0 41.0 -86.4 156.3 12.0 -14.0 -6.7 24 295 A S S >> S- 0 0 92 -2,-0.1 3,-0.9 30,-0.1 4,-0.7 0.974 77.5-147.2 65.0 82.4 13.8 -14.3 -3.4 25 296 A H T 34 S+ 0 0 41 29,-0.5 4,-0.2 1,-0.3 24,-0.1 0.671 91.4 52.4 -61.6 -22.6 11.9 -11.6 -1.6 26 297 A E T >4 S+ 0 0 111 1,-0.2 3,-2.3 2,-0.1 4,-0.3 0.890 98.0 64.8 -78.2 -36.3 14.8 -10.4 0.6 27 298 A A G X4 S+ 0 0 50 -3,-0.9 3,-1.5 1,-0.3 4,-0.4 0.730 82.3 80.7 -59.5 -22.1 17.1 -9.9 -2.4 28 299 A b G >X S+ 0 0 6 -4,-0.7 3,-1.7 1,-0.3 4,-0.5 0.822 78.1 70.2 -53.0 -32.7 14.7 -7.2 -3.6 29 300 A Q G X4 S+ 0 0 47 -3,-2.3 3,-1.7 1,-0.3 4,-0.4 0.884 91.2 58.9 -52.8 -38.5 16.4 -4.8 -1.1 30 301 A K G <> S+ 0 0 115 -3,-1.5 4,-1.5 -4,-0.3 3,-0.5 0.664 87.3 72.6 -74.8 -13.6 19.5 -4.8 -3.3 31 302 A L H <> S+ 0 0 65 -3,-1.7 4,-1.5 -4,-0.4 -1,-0.3 0.800 98.8 50.7 -68.8 -23.0 17.6 -3.4 -6.3 32 303 A c H << S+ 0 0 2 -3,-1.7 -1,-0.3 -4,-0.5 6,-0.2 0.645 107.6 52.8 -84.7 -16.1 17.6 -0.2 -4.3 33 304 A T H 4 S+ 0 0 61 -3,-0.5 -2,-0.2 -4,-0.4 3,-0.2 0.716 118.2 35.3 -88.7 -22.7 21.3 -0.5 -3.8 34 305 A N H < S+ 0 0 148 -4,-1.5 2,-0.5 1,-0.2 -2,-0.2 0.699 125.1 41.7-100.2 -25.6 22.1 -0.9 -7.5 35 306 A A S < S- 0 0 53 -4,-1.5 2,-1.1 -5,-0.3 -1,-0.2 -0.856 78.3-152.3-127.5 95.5 19.3 1.4 -8.7 36 307 A V + 0 0 92 -2,-0.5 -4,-0.1 -3,-0.2 -3,-0.1 -0.562 67.0 86.8 -75.0 97.8 19.0 4.6 -6.6 37 308 A R + 0 0 202 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.147 67.7 81.3-176.6 31.0 15.4 5.8 -6.8 38 309 A c + 0 0 8 -6,-0.2 -1,-0.2 -3,-0.2 23,-0.2 -0.958 45.8 179.6-144.8 124.3 13.6 3.9 -4.1 39 310 A Q + 0 0 2 21,-0.5 2,-0.5 -2,-0.3 42,-0.4 0.944 67.2 31.3 -92.8 -61.7 13.7 5.0 -0.4 40 311 A F E -E 60 0A 10 20,-2.1 20,-2.5 40,-0.1 2,-0.4 -0.876 65.5-159.3-106.6 130.7 11.6 2.7 1.7 41 312 A F E -EF 59 79A 11 38,-1.5 38,-2.0 -2,-0.5 2,-0.5 -0.899 11.5-141.4-105.8 135.7 11.3 -1.0 0.9 42 313 A T E +EF 58 78A 3 16,-4.2 16,-1.3 -2,-0.4 7,-0.7 -0.859 34.1 154.2-102.6 131.3 8.3 -3.0 2.3 43 314 A Y E - F 0 77A 26 34,-2.3 34,-2.3 -2,-0.5 14,-0.1 -0.924 30.3-156.5-148.6 157.2 9.0 -6.5 3.5 44 315 A T - 0 0 5 -2,-0.3 4,-0.2 32,-0.2 32,-0.1 -0.976 30.3-123.7-138.5 143.3 7.9 -9.3 5.8 45 316 A P S S+ 0 0 91 0, 0.0 -19,-0.1 0, 0.0 -20,-0.0 0.773 108.9 46.2 -53.4 -28.1 10.1 -12.2 7.0 46 317 A A S S- 0 0 72 5,-0.2 -21,-0.1 -21,-0.0 6,-0.1 0.982 139.0 -25.9 -80.0 -68.5 7.6 -14.6 5.6 47 318 A Q S S- 0 0 42 4,-0.7 9,-0.6 1,-0.1 7,-0.2 0.569 73.8-148.8-128.4 -17.6 6.6 -13.5 2.1 48 319 A A B > +G 51 0B 0 3,-0.5 3,-0.6 -4,-0.2 6,-0.3 -0.277 55.5 112.0 65.8-162.1 7.1 -9.8 1.8 49 320 A S T > S- 0 0 0 -7,-0.7 2,-3.0 7,-0.4 3,-0.8 0.997 114.5 -44.4 59.5 73.1 4.8 -7.8 -0.6 50 321 A d T 3 S- 0 0 18 1,-0.3 -1,-0.3 -8,-0.2 -7,-0.1 -0.292 125.0 -37.3 69.7 -56.4 2.9 -5.7 2.0 51 322 A N B < S+G 48 0B 44 -2,-3.0 -4,-0.7 -3,-0.6 -3,-0.5 0.229 135.3 28.7-161.6 -48.3 2.5 -8.9 4.2 52 323 A E < + 0 0 41 -3,-0.8 91,-0.7 88,-0.2 -1,-0.5 -0.954 68.0 108.7-124.2 148.9 2.0 -11.8 1.9 53 324 A G - 0 0 0 -2,-0.3 2,-2.1 90,-0.1 -4,-0.2 0.239 47.6-152.4 176.1 -35.8 3.3 -12.2 -1.7 54 325 A K S S+ 0 0 139 -6,-0.3 -29,-0.5 -7,-0.2 -30,-0.1 -0.511 92.4 24.0 75.5 -74.7 6.1 -14.8 -1.9 55 326 A G S S+ 0 0 17 -2,-2.1 2,-0.4 -32,-0.1 -33,-0.4 -0.332 99.7 101.5-120.6 48.6 7.8 -13.2 -4.9 56 327 A K - 0 0 40 -9,-0.6 2,-0.5 -35,-0.3 -7,-0.4 -0.999 51.4-155.2-132.7 133.8 6.7 -9.6 -4.8 57 328 A b E -D 20 0A 0 -37,-3.1 -37,-2.1 -2,-0.4 2,-0.5 -0.905 10.1-154.2-107.8 132.0 8.8 -6.6 -3.6 58 329 A Y E +DE 19 42A 8 -16,-1.3 -16,-4.2 -2,-0.5 2,-0.3 -0.907 18.4 171.1-112.8 129.4 7.0 -3.5 -2.4 59 330 A L E -DE 18 41A 24 -41,-2.6 -41,-2.0 -2,-0.5 2,-0.3 -0.954 13.1-169.0-136.4 154.0 8.6 -0.1 -2.4 60 331 A K E -DE 17 40A 1 -20,-2.5 -20,-2.1 -2,-0.3 -21,-0.5 -0.997 8.9-151.2-143.9 144.5 7.6 3.5 -1.9 61 332 A L E -D 16 0A 24 -45,-1.0 -45,-2.0 -2,-0.3 -46,-0.5 -0.957 6.9-171.7-122.9 131.1 9.3 6.8 -2.5 62 333 A S + 0 0 7 -2,-0.4 28,-0.3 -47,-0.2 3,-0.0 -0.981 11.5 168.2-123.0 117.3 8.9 10.1 -0.7 63 334 A S + 0 0 44 -2,-0.5 2,-0.2 27,-0.1 -1,-0.1 0.843 68.8 37.1 -91.9 -45.3 10.6 13.1 -2.2 64 335 A N S S- 0 0 83 26,-0.1 2,-2.2 25,-0.1 26,-0.1 -0.591 98.1 -94.5-101.7 167.8 9.0 15.8 -0.1 65 336 A G + 0 0 80 24,-0.2 3,-0.1 -2,-0.2 24,-0.1 -0.446 65.9 164.9 -77.6 65.4 8.0 15.9 3.6 66 337 A S - 0 0 28 -2,-2.2 2,-0.2 1,-0.1 -51,-0.1 -0.362 52.1 -69.2 -80.8 162.2 4.5 14.8 2.8 67 338 A P - 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0 0 20 -42,-0.4 -77,-0.5 -2,-0.3 -1,-0.1 0.854 36.9 -79.3-108.6 -67.3 19.1 0.7 3.0 82 353 A L S S+ 0 0 60 -79,-0.2 3,-0.3 -50,-0.1 -80,-0.2 -0.040 91.2 9.9-162.6 -93.6 22.1 3.2 2.7 83 354 A R S > S+ 0 0 164 1,-0.2 3,-1.3 2,-0.1 4,-0.1 0.815 109.2 65.0 -91.0 -31.8 22.9 6.2 0.5 84 355 A L G > S+ 0 0 3 1,-0.3 3,-1.9 -52,-0.2 -1,-0.2 0.618 76.4 90.5 -72.0 -9.4 19.6 7.1 -1.3 85 356 A a G > S+ 0 0 10 -3,-0.3 3,-1.6 1,-0.3 -1,-0.3 0.696 70.2 75.9 -61.5 -17.5 17.9 8.0 2.0 86 357 A K G X S+ 0 0 127 -3,-1.3 3,-1.1 1,-0.3 -1,-0.3 0.837 85.5 60.7 -63.3 -31.4 19.1 11.5 1.5 87 358 A M G < S+ 0 0 37 -3,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.457 74.2 98.5 -81.1 2.9 16.4 12.1 -1.1 88 359 A D G < S+ 0 0 47 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.817 106.3 15.8 -53.9 -34.5 13.8 11.4 1.5 89 360 A N < 0 0 111 -3,-1.1 -1,-0.3 -4,-0.2 -24,-0.2 0.205 360.0 360.0-122.3 12.2 13.5 15.2 1.9 90 361 A E 0 0 163 -3,-0.3 -2,-0.2 -28,-0.3 -3,-0.1 0.894 360.0 360.0 -96.8 360.0 15.2 16.1 -1.4 91 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 272 B F 0 0 262 0, 0.0 82,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.5 -24.8 7.8 -7.7 93 273 B e + 0 0 33 84,-0.0 2,-0.2 83,-0.0 78,-0.1 0.222 360.0 147.1-149.5 -53.9 -21.8 5.5 -7.2 94 274 B H S S+ 0 0 162 79,-0.2 79,-0.7 1,-0.1 2,-0.7 -0.238 77.4 4.2 49.1-105.2 -23.2 2.1 -6.5 95 275 B S E S+H 172 0C 83 -2,-0.2 2,-0.5 77,-0.2 77,-0.2 -0.897 72.9 158.3-114.0 101.6 -20.6 -0.3 -8.1 96 276 B S E +H 171 0C 37 75,-1.5 75,-2.0 -2,-0.7 2,-0.5 -0.881 9.6 161.3-125.1 99.2 -17.6 1.6 -9.4 97 277 B F E -H 170 0C 48 -2,-0.5 2,-0.3 73,-0.2 73,-0.3 -0.965 19.2-163.0-124.8 118.0 -14.5 -0.7 -9.8 98 278 B Y E -H 169 0C 43 71,-2.7 71,-2.2 -2,-0.5 2,-0.3 -0.712 14.7-145.4 -97.6 149.5 -11.5 0.1 -11.9 99 279 B H E +H 168 0C 116 -2,-0.3 69,-0.2 69,-0.2 68,-0.1 -0.775 68.0 18.2-117.8 157.2 -9.1 -2.6 -12.9 100 280 B D E S+ 0 0 98 67,-1.8 64,-1.2 -2,-0.3 2,-0.3 0.146 115.5 69.2 75.9 -18.5 -5.3 -2.9 -13.4 101 281 B T E -H 163 0C 38 66,-0.3 2,-0.3 62,-0.2 62,-0.2 -0.867 59.3-166.7-130.0 155.3 -4.9 0.3 -11.5 102 282 B D E -H 162 0C 4 60,-1.5 60,-1.9 -2,-0.3 2,-0.7 -0.946 13.1-146.0-146.2 126.6 -5.2 1.5 -7.9 103 283 B F E -H 161 0C 68 -2,-0.3 2,-0.6 58,-0.2 58,-0.2 -0.829 10.9-153.0 -97.7 116.4 -5.3 5.1 -6.7 104 284 B L E +H 160 0C 1 56,-3.2 56,-1.6 -2,-0.7 4,-0.1 -0.773 21.5 170.3 -89.1 119.1 -3.8 5.6 -3.2 105 285 B G - 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