==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 30-JUN-11 3SOR . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.KAZEMIER,A.OUBRIE . 236 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0.4 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 . 23 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 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 2 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 . 3 3 2 5 1 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 . 0 0 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 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 1 388 A I > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 123.0 -9.0 -12.4 21.2 2 389 A V B 3 +A 182 0A 23 180,-2.6 180,-1.1 1,-0.2 134,-0.1 -0.712 360.0 10.8 -85.0 141.8 -5.3 -12.3 22.2 3 390 A G T 3 S+ 0 0 47 132,-0.4 -1,-0.2 -2,-0.3 2,-0.1 0.627 101.2 140.4 64.5 16.2 -4.4 -10.0 25.1 4 391 A G < - 0 0 21 -3,-0.5 2,-0.3 178,-0.1 144,-0.2 -0.457 43.9-138.2 -93.3 161.7 -8.1 -9.4 25.8 5 392 A T E -B 147 0B 78 142,-2.5 142,-1.9 -2,-0.1 -1,-0.0 -0.820 32.7 -89.7-115.8 156.8 -10.2 -9.1 29.0 6 393 A A E -B 146 0B 52 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.293 39.6-139.2 -63.4 144.9 -13.5 -10.5 30.0 7 394 A S - 0 0 6 138,-2.1 2,-0.2 55,-0.1 -1,-0.1 -0.570 13.1-122.8-100.2 168.4 -16.6 -8.5 29.2 8 395 A V > - 0 0 88 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.672 39.9 -77.9-107.6 163.1 -19.7 -8.0 31.4 9 396 A R T 3 S+ 0 0 148 1,-0.2 -1,-0.1 -2,-0.2 53,-0.1 -0.407 118.3 15.4 -60.8 130.4 -23.4 -8.7 30.7 10 397 A G T 3 S+ 0 0 43 98,-0.2 -1,-0.2 -2,-0.1 99,-0.0 0.417 94.3 112.4 87.7 -0.1 -24.9 -6.0 28.4 11 398 A E S < S+ 0 0 56 -3,-1.7 -2,-0.1 1,-0.2 97,-0.0 0.861 88.3 17.8 -77.4 -37.4 -21.5 -4.6 27.4 12 399 A W S > S+ 0 0 17 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.577 73.5 165.0-133.5 67.5 -21.5 -5.5 23.7 13 400 A P T 3 + 0 0 15 0, 0.0 97,-1.0 0, 0.0 47,-0.2 0.519 69.7 62.4 -79.5 -8.5 -25.1 -6.2 23.0 14 401 A W T 3 S+ 0 0 17 95,-0.2 19,-2.5 97,-0.1 2,-0.2 0.630 84.8 105.1 -76.2 -19.8 -24.9 -6.0 19.2 15 402 A Q E < -J 32 0C 6 -3,-1.8 45,-0.6 17,-0.2 46,-0.3 -0.417 50.6-175.5 -67.6 134.1 -22.5 -9.1 19.4 16 403 A V E -JK 31 59C 1 15,-2.2 15,-1.0 -2,-0.2 2,-0.5 -0.908 23.8-137.8-125.8 156.2 -23.8 -12.5 18.4 17 404 A T E -JK 30 58C 0 41,-2.0 41,-2.7 -2,-0.3 2,-0.6 -0.972 19.5-155.5-109.9 119.5 -22.5 -16.0 18.4 18 405 A L E -JK 29 57C 2 11,-2.9 10,-3.2 -2,-0.5 11,-1.6 -0.898 14.5-163.1 -97.0 125.6 -23.3 -17.9 15.3 19 406 A H E -JK 27 56C 8 37,-2.6 37,-2.0 -2,-0.6 2,-0.3 -0.809 13.0-148.1-109.6 148.0 -23.4 -21.7 15.8 20 407 A T E -J 26 0C 5 6,-2.2 6,-1.7 -2,-0.3 35,-0.2 -0.783 0.9-162.5-101.1 155.3 -23.3 -24.6 13.3 21 408 A T + 0 0 45 -2,-0.3 4,-0.3 33,-0.3 34,-0.1 0.124 48.4 124.6-122.6 23.2 -25.2 -27.8 14.2 22 409 A S S S- 0 0 41 2,-0.5 -1,-0.1 1,-0.2 4,-0.0 -0.985 92.0 -14.0-141.3 119.9 -23.4 -30.1 11.7 23 410 A P S S- 0 0 134 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.993 145.6 -13.4 -78.5 -5.8 -21.9 -32.6 12.5 24 411 A T S S- 0 0 100 2,-0.0 -2,-0.5 0, 0.0 2,-0.3 -0.958 80.5 -86.2-147.3 167.3 -22.2 -31.2 16.0 25 412 A Q + 0 0 75 -4,-0.3 2,-0.3 -2,-0.3 -4,-0.2 -0.588 60.8 132.7 -79.2 133.0 -23.1 -27.9 17.7 26 413 A R E -J 20 0C 133 -6,-1.7 -6,-2.2 -2,-0.3 2,-0.2 -0.965 61.0 -77.5-167.9 159.4 -20.3 -25.4 18.2 27 414 A H E +J 19 0C 11 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.485 41.9 173.8 -65.6 131.7 -19.5 -21.7 17.8 28 415 A L E - 0 0 31 -10,-3.2 2,-0.3 1,-0.4 -9,-0.2 0.780 56.9 -25.0-103.9 -54.4 -18.7 -21.0 14.1 29 416 A a E -J 18 0C 4 -11,-1.6 -11,-2.9 158,-0.1 -1,-0.4 -0.965 56.8-102.9-154.5 166.4 -18.3 -17.2 14.0 30 417 A G E -J 17 0C 2 158,-2.4 12,-0.4 -2,-0.3 2,-0.3 -0.428 36.7-178.8 -86.1 172.5 -19.1 -13.8 15.5 31 418 A G E -J 16 0C 0 -15,-1.0 -15,-2.2 -2,-0.1 2,-0.4 -0.957 21.0-126.4-162.9 160.8 -21.7 -11.4 14.0 32 419 A S E -JL 15 40C 1 8,-1.9 8,-2.7 -2,-0.3 2,-0.5 -0.995 19.6-127.2-122.3 131.5 -23.2 -8.0 14.6 33 420 A I E + L 0 39C 0 -19,-2.5 79,-2.6 -2,-0.4 6,-0.2 -0.616 38.0 160.1 -63.8 118.0 -26.9 -7.1 14.9 34 421 A I E + 0 0 31 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.377 63.7 8.5-120.6 0.0 -27.5 -4.3 12.4 35 422 A G E > S- L 0 38C 14 3,-1.1 3,-1.0 75,-0.1 -1,-0.3 -0.970 85.8 -90.0-173.3 169.5 -31.3 -4.5 12.0 36 423 A N T 3 S+ 0 0 75 -2,-0.3 67,-3.5 1,-0.3 65,-0.1 0.803 128.9 19.5 -69.9 -25.5 -34.3 -6.2 13.5 37 424 A Q T 3 S+ 0 0 51 65,-0.2 62,-2.8 63,-0.1 2,-0.4 0.134 113.6 95.1-119.5 14.7 -33.9 -9.2 11.1 38 425 A W E < -LM 35 98C 32 -3,-1.0 -4,-2.4 60,-0.2 -3,-1.1 -0.938 41.8-179.1-130.9 127.2 -30.3 -8.6 10.1 39 426 A I E -LM 33 97C 2 58,-2.3 58,-2.5 -2,-0.4 2,-0.5 -0.961 16.4-149.1-114.6 139.3 -26.8 -9.9 11.0 40 427 A L E +LM 32 96C 1 -8,-2.7 -8,-1.9 -2,-0.4 56,-0.2 -0.915 34.4 142.8-108.8 127.7 -23.6 -8.7 9.4 41 428 A T E - M 0 95C 0 54,-2.8 54,-2.4 -2,-0.5 2,-0.3 -0.672 48.5 -69.9-147.7-172.7 -20.8 -11.2 9.3 42 429 A A > - 0 0 0 -12,-0.4 3,-1.0 52,-0.3 52,-0.2 -0.770 28.2-137.6 -98.5 140.9 -17.8 -12.5 7.2 43 430 A A G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.2 4,-0.1 0.861 100.6 63.4 -64.0 -38.9 -18.2 -14.5 4.0 44 431 A H G > S+ 0 0 47 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.636 85.3 78.9 -65.2 -12.3 -15.5 -17.1 4.8 45 432 A a G < S+ 0 0 6 -3,-1.0 3,-0.4 1,-0.2 -1,-0.3 0.781 90.3 52.3 -63.2 -26.8 -17.6 -18.2 7.8 46 433 A F G X S+ 0 0 15 -3,-1.7 3,-2.1 -4,-0.2 -1,-0.2 0.284 71.1 115.7-101.1 9.4 -19.9 -20.3 5.5 47 434 A Y T < S+ 0 0 224 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.862 88.4 29.4 -41.3 -52.3 -17.2 -22.2 3.7 48 435 A G T 3 S+ 0 0 61 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.266 94.2 118.3 -94.8 14.9 -18.4 -25.6 5.1 49 436 A V < - 0 0 25 -3,-2.1 -3,-0.0 1,-0.1 -29,-0.0 -0.755 44.1-167.4-103.4 111.8 -22.1 -24.7 5.4 50 437 A E S S- 0 0 122 -2,-0.7 -1,-0.1 1,-0.2 -4,-0.0 0.764 70.4 -30.5 -65.0 -35.3 -24.5 -26.8 3.3 51 438 A S > - 0 0 35 27,-0.0 3,-1.1 0, 0.0 4,-0.3 -0.946 67.8 -89.2-170.0 167.6 -27.5 -24.5 3.8 52 439 A P G > S+ 0 0 37 0, 0.0 3,-0.8 0, 0.0 24,-0.6 0.564 105.0 87.6 -60.0 -12.7 -28.9 -22.0 6.4 53 440 A K G 3 S+ 0 0 192 1,-0.2 24,-0.0 22,-0.1 23,-0.0 0.746 87.6 47.2 -62.7 -29.2 -30.9 -24.9 8.1 54 441 A I G < S+ 0 0 22 -3,-1.1 -33,-0.3 21,-0.0 -1,-0.2 0.595 93.0 101.4 -89.2 -10.9 -28.0 -25.9 10.4 55 442 A L < - 0 0 5 -3,-0.8 21,-0.6 -4,-0.3 2,-0.4 -0.519 46.9-174.5 -79.0 138.6 -27.3 -22.3 11.5 56 443 A R E -KN 19 75C 61 -37,-2.0 -37,-2.6 -2,-0.2 2,-0.5 -0.988 12.6-150.6-124.7 137.5 -28.4 -20.9 14.9 57 444 A V E -KN 18 74C 2 17,-2.1 17,-2.7 -2,-0.4 2,-0.6 -0.961 11.2-164.4-110.3 123.1 -28.0 -17.2 16.0 58 445 A Y E -K 17 0C 1 -41,-2.7 -41,-2.0 -2,-0.5 2,-0.3 -0.939 7.1-174.9-109.8 116.9 -27.6 -16.6 19.7 59 446 A S E +K 16 0C 23 -2,-0.6 -43,-0.1 -43,-0.2 50,-0.1 -0.778 62.2 32.5-103.8 151.7 -28.1 -13.1 21.0 60 447 A G S S+ 0 0 23 -45,-0.6 2,-0.4 48,-0.5 -1,-0.2 0.813 79.3 143.3 79.1 33.5 -27.5 -11.9 24.6 61 448 A I + 0 0 21 -46,-0.3 -1,-0.3 -3,-0.3 3,-0.1 -0.877 24.1 164.5-109.3 132.6 -24.7 -14.3 25.5 62 449 A L S S+ 0 0 22 -2,-0.4 83,-3.0 1,-0.4 2,-0.4 0.705 79.8 34.0 -99.5 -54.5 -21.8 -13.5 27.7 63 450 A N B > S-P 144 0D 35 81,-0.2 3,-1.4 1,-0.1 -1,-0.4 -0.861 70.2-142.5-107.6 135.5 -20.7 -17.1 28.3 64 451 A Q G > S+ 0 0 28 79,-2.4 3,-1.4 -2,-0.4 -1,-0.1 0.728 97.7 72.0 -65.2 -25.4 -21.0 -19.9 25.8 65 452 A S G 3 S+ 0 0 60 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.605 81.5 72.1 -67.5 -14.4 -21.9 -22.3 28.6 66 453 A E G < S+ 0 0 40 -3,-1.4 2,-1.0 1,-0.1 -1,-0.3 0.540 73.0 99.8 -70.8 -12.7 -25.3 -20.6 29.0 67 454 A I < + 0 0 24 -3,-1.4 2,-0.2 -4,-0.1 -1,-0.1 -0.726 53.4 164.7 -88.7 102.8 -26.4 -22.2 25.7 68 455 A K > - 0 0 106 -2,-1.0 3,-1.4 4,-0.0 -2,-0.1 -0.497 57.5 -86.0-110.2 178.0 -28.5 -25.2 26.7 69 456 A E T 3 S+ 0 0 188 1,-0.3 -2,-0.1 -2,-0.2 -1,-0.0 0.697 131.6 39.7 -59.5 -20.5 -30.9 -27.5 24.9 70 457 A D T 3 S+ 0 0 140 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.302 79.2 120.7-114.3 3.1 -33.6 -24.9 25.7 71 458 A T < - 0 0 34 -3,-1.4 2,-0.1 1,-0.1 -4,-0.0 -0.605 68.8-121.4 -63.1 123.0 -31.7 -21.6 25.2 72 459 A S + 0 0 102 -2,-0.4 2,-0.3 -14,-0.0 -2,-0.1 -0.402 37.0 178.8 -67.6 152.5 -33.8 -19.9 22.5 73 460 A F - 0 0 84 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.886 29.3-104.4-145.2 168.2 -32.1 -18.9 19.3 74 461 A F E -N 57 0C 27 -17,-2.7 -17,-2.1 -2,-0.3 2,-0.1 -0.908 29.6-132.3-101.7 132.5 -32.9 -17.3 16.0 75 462 A G E -N 56 0C 26 -2,-0.5 25,-2.4 -19,-0.2 2,-0.5 -0.431 20.1-124.4 -74.0 152.2 -33.3 -19.4 12.8 76 463 A V E -O 99 0C 8 -21,-0.6 23,-0.2 -24,-0.6 -21,-0.1 -0.909 24.8-179.2-102.1 123.7 -31.5 -18.1 9.6 77 464 A Q E + 0 0 90 21,-3.1 2,-0.3 -2,-0.5 22,-0.2 0.744 69.2 9.5 -87.1 -31.8 -33.8 -17.7 6.5 78 465 A E E -O 98 0C 94 20,-1.3 20,-2.1 -26,-0.1 2,-0.5 -0.996 51.4-151.8-154.5 145.2 -31.0 -16.5 4.1 79 466 A I E -O 97 0C 40 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.979 18.8-167.1-117.1 110.2 -27.2 -16.2 3.7 80 467 A I E -O 96 0C 18 16,-3.2 16,-2.3 -2,-0.5 2,-0.3 -0.883 6.6-172.5-102.3 104.9 -26.4 -13.4 1.4 81 468 A I E -O 95 0C 70 -2,-0.8 14,-0.2 14,-0.2 2,-0.1 -0.749 35.7-100.5 -95.2 140.5 -22.7 -13.5 0.4 82 469 A H > - 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