==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 11-OCT-10 3P6Z . COMPND 2 MOLECULE: THROMBIN LIGHT CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.CORRAL-RODRIGUEZ,P.E.BOCK,E.HERNANDEZ-CARVAJAL,R.GUTIERR . 586 10 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 26.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 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 . 39 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 2 0 2 0 2 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 . 9 8 0 8 6 4 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 0 0 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 1 333 A E > 0 0 101 0, 0.0 3,-2.3 0, 0.0 150,-0.0 0.000 360.0 360.0 360.0 154.3 13.3 17.4 -21.8 2 334 A A T 3 + 0 0 93 1,-0.3 0, 0.0 0, 0.0 0, 0.0 0.773 360.0 25.4 -46.8 -47.4 10.9 16.4 -24.5 3 335 A D T > S+ 0 0 62 146,-0.0 3,-1.2 2,-0.0 -1,-0.3 0.282 88.4 141.5-104.0 12.0 10.3 19.7 -26.2 4 336 A a T < + 0 0 11 -3,-2.3 145,-0.2 1,-0.2 146,-0.1 -0.066 61.1 18.1 -58.4 151.4 13.5 21.5 -25.3 5 337 A G T 3 S+ 0 0 0 143,-3.0 242,-1.5 241,-0.2 2,-0.6 0.433 87.4 110.7 77.4 1.1 15.3 23.9 -27.7 6 338 A L < - 0 0 29 -3,-1.2 -1,-0.1 142,-0.3 240,-0.1 -0.936 63.3-139.3-112.8 121.3 12.5 24.5 -30.2 7 339 A R > > - 0 0 0 -2,-0.6 5,-2.5 1,-0.1 3,-1.4 -0.540 5.3-138.2 -91.6 131.2 11.4 28.2 -29.8 8 340 A P T 3 5S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 136,-0.1 0.833 103.2 42.4 -55.1 -31.8 7.7 28.9 -30.0 9 341 A L T 3 5S+ 0 0 30 135,-0.4 33,-0.1 32,-0.4 135,-0.0 0.423 129.2 21.6 -98.2 -1.4 8.2 32.0 -32.1 10 342 A F T X >S+ 0 0 15 -3,-1.4 5,-2.3 31,-0.1 3,-1.5 0.452 128.2 23.7-123.8 -84.9 10.8 30.6 -34.4 11 343 A E G > 5S+ 0 0 16 1,-0.3 3,-1.7 2,-0.2 -5,-0.1 0.881 122.1 55.5 -59.5 -41.6 11.3 26.8 -35.0 12 344 A K G 3 > S+ 0 0 39 2,-0.1 3,-0.9 1,-0.1 4,-0.7 0.419 86.7 98.7-129.9 2.1 21.6 35.7 -37.3 20 352 A E H >> S+ 0 0 16 1,-0.3 4,-1.5 -3,-0.2 3,-0.9 0.844 79.3 63.5 -61.9 -32.1 21.1 32.0 -36.9 21 353 A R H 3> S+ 0 0 163 -4,-0.4 4,-3.2 1,-0.3 -1,-0.3 0.850 94.0 63.6 -57.4 -34.9 22.3 31.3 -40.5 22 354 A E H <> S+ 0 0 43 -3,-0.9 4,-1.5 1,-0.2 -1,-0.3 0.888 102.4 49.3 -57.9 -35.1 25.7 32.8 -39.3 23 355 A L H - 0 0 53 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.513 46.9 -86.2 -79.4 154.8 14.5 39.7 -31.3 40 372 B I T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.484 115.3 8.2 -64.6 131.3 11.5 39.0 -29.1 41 373 B G T 3 S+ 0 0 12 55,-0.1 -32,-0.4 -2,-0.1 -1,-0.3 0.566 90.7 123.8 79.2 8.9 11.3 35.3 -28.2 42 374 B M S < S+ 0 0 5 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.740 86.0 22.8 -72.9 -29.0 14.8 34.7 -29.7 43 375 B S > + 0 0 12 -4,-0.3 3,-2.6 1,-0.1 -1,-0.3 -0.541 69.4 165.6-138.2 65.4 16.1 33.3 -26.3 44 376 B P T 3 S+ 0 0 2 0, 0.0 103,-1.9 0, 0.0 51,-0.2 0.602 75.4 62.1 -71.9 -6.3 13.0 32.1 -24.4 45 377 B W T 3 S+ 0 0 2 101,-0.2 18,-2.3 103,-0.1 104,-0.1 0.480 76.0 120.8 -89.1 -2.3 15.2 30.1 -21.9 46 378 B Q E < -J 62 0C 3 -3,-2.6 49,-1.0 16,-0.2 50,-0.4 -0.380 44.4-169.3 -67.2 130.2 17.0 33.4 -20.8 47 379 B V E -JK 61 94C 0 14,-2.5 14,-1.2 47,-0.2 2,-0.6 -0.954 14.8-144.1-121.1 145.2 16.5 34.0 -17.1 48 380 B M E -JK 60 93C 0 45,-2.3 45,-2.5 -2,-0.4 2,-0.6 -0.940 9.2-147.3-104.6 120.9 17.3 37.0 -15.0 49 381 B L E -JK 59 92C 0 10,-2.8 9,-3.3 -2,-0.6 10,-1.2 -0.840 24.6-170.4 -82.6 122.5 18.6 36.5 -11.5 50 382 B F E -JK 57 91C 16 41,-3.0 41,-2.2 -2,-0.6 2,-0.4 -0.936 21.9-133.8-124.1 127.4 17.3 39.4 -9.4 51 383 B R E > -JK 56 90C 81 5,-3.3 5,-1.3 -2,-0.4 39,-0.2 -0.694 16.6-147.4 -80.5 128.8 18.2 40.4 -5.8 52 384 B K T 5S+ 0 0 87 37,-2.0 -1,-0.2 -2,-0.4 3,-0.2 0.947 76.0 44.8 -62.5 -53.4 15.0 41.1 -3.9 53 385 B S T 5S+ 0 0 102 36,-0.4 -1,-0.3 1,-0.3 2,-0.2 -0.945 120.3 22.8-150.2 119.2 16.2 43.8 -1.6 54 386 B P T 5S- 0 0 83 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.656 106.9-118.0 -68.1 155.3 17.9 46.1 -2.6 55 387 B Q T 5 + 0 0 102 -3,-0.2 2,-0.3 -2,-0.2 -3,-0.2 -0.459 53.4 150.0 -71.1 124.7 16.5 45.5 -6.1 56 388 B E E < -J 51 0C 84 -5,-1.3 -5,-3.3 -2,-0.2 2,-0.5 -0.961 51.2-121.0-158.2 139.0 19.4 44.6 -8.4 57 389 B L E +J 50 0C 29 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.701 33.6 178.6 -78.2 121.1 20.1 42.5 -11.6 58 390 B L E - 0 0 27 -9,-3.3 2,-0.3 -2,-0.5 -1,-0.2 0.864 49.1 -53.1 -91.9 -44.3 22.7 40.1 -10.4 59 391 B b E -J 49 0C 3 -10,-1.2 -10,-2.8 173,-0.1 -1,-0.4 -0.959 56.8 -79.2-177.2 176.3 23.4 37.9 -13.4 60 392 B G E +J 48 0C 2 173,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.434 37.5 175.1 -93.7 178.0 21.9 35.8 -16.1 61 393 B A E -J 47 0C 0 -14,-1.2 -14,-2.5 -2,-0.2 2,-0.3 -0.922 21.0-123.6-171.7 175.5 20.6 32.1 -15.9 62 394 B S E -JL 46 70C 0 8,-2.0 8,-3.1 -2,-0.3 2,-0.6 -0.999 14.8-124.4-143.7 147.2 18.9 29.6 -18.2 63 395 B L E + L 0 69C 0 -18,-2.3 86,-2.6 -2,-0.3 6,-0.2 -0.783 29.2 168.5 -96.5 120.4 15.8 27.6 -17.9 64 396 B I - 0 0 10 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.506 67.7 -11.0-112.5 -6.4 16.4 23.8 -18.4 65 397 B S S S- 0 0 22 3,-1.1 3,-0.5 85,-0.1 -1,-0.3 -0.944 87.8 -77.6-168.4-177.6 13.0 22.3 -17.3 66 398 B D S S+ 0 0 58 -2,-0.3 74,-2.0 1,-0.2 72,-0.1 0.701 129.0 27.5 -67.9 -13.2 9.9 23.6 -15.6 67 399 B R S S+ 0 0 16 72,-0.2 69,-2.9 1,-0.1 2,-0.4 0.491 109.4 76.9-121.4 -2.9 11.5 23.5 -12.1 68 400 B W E - M 0 135C 3 -3,-0.5 -4,-2.3 67,-0.2 -3,-1.1 -0.943 46.5-176.4-126.2 132.2 15.2 24.0 -12.8 69 401 B V E -LM 63 134C 0 65,-2.5 65,-2.6 -2,-0.4 2,-0.4 -0.979 15.8-147.6-126.4 138.9 17.4 27.0 -13.7 70 402 B L E +LM 62 133C 0 -8,-3.1 -8,-2.0 -2,-0.4 2,-0.2 -0.827 28.7 149.2-104.3 141.0 21.0 26.8 -14.5 71 403 B T E - M 0 132C 0 61,-2.9 61,-1.9 -2,-0.4 2,-0.4 -0.845 48.2 -75.4-152.2-171.2 23.5 29.6 -13.6 72 404 B A > - 0 0 0 -12,-0.4 3,-1.3 -2,-0.2 4,-0.4 -0.784 33.0-135.7 -93.0 138.6 27.2 30.3 -12.7 73 405 B A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 3,-2.0 0.839 102.0 64.8 -57.6 -38.4 28.1 29.5 -9.1 74 406 B H G 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 180,-0.0 0.734 91.1 66.0 -61.4 -21.0 30.0 32.9 -8.7 75 407 B b G <4 S+ 0 0 1 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.743 116.9 25.7 -63.5 -24.7 26.7 34.6 -9.1 76 408 B L T <4 S+ 0 0 0 -3,-2.0 9,-2.4 -4,-0.4 2,-0.5 0.754 129.6 31.7-111.1 -33.8 25.6 33.0 -5.7 77 409 B L E < +P 84 0D 34 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.972 56.0 136.5-138.4 117.0 28.8 32.4 -3.9 78 410 B Y E > > -P 83 0D 19 5,-2.8 5,-2.1 -2,-0.5 3,-1.5 -0.587 23.6-173.2-158.3 85.2 32.0 34.4 -4.1 79 411 B P G > 5S+ 0 0 45 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.754 76.7 68.6 -64.7 -26.2 33.4 35.0 -0.7 80 412 B P G 3 5S+ 0 0 74 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.832 111.7 37.7 -60.0 -25.4 36.2 37.4 -1.6 81 413 B W G < 5S- 0 0 151 -3,-1.5 3,-0.1 2,-0.1 -3,-0.0 0.001 120.9-109.8-105.5 22.6 33.4 39.9 -2.3 82 414 B D T < 5 + 0 0 156 -3,-2.0 2,-0.6 1,-0.2 -5,-0.0 0.806 66.0 153.6 53.8 34.8 31.2 38.8 0.6 83 415 B K E < +P 78 0D 38 -5,-2.1 -5,-2.8 2,-0.0 -1,-0.2 -0.849 6.3 139.0 -98.9 119.9 28.7 37.2 -1.7 84 416 B N E -P 77 0D 114 -2,-0.6 2,-0.2 -7,-0.2 -7,-0.2 -0.529 28.4-171.3-154.0 83.7 26.8 34.3 -0.3 85 417 B F - 0 0 29 -9,-2.4 2,-0.2 -2,-0.1 -2,-0.0 -0.566 6.5-154.5 -79.0 136.1 23.0 34.5 -1.4 86 418 B T > - 0 0 65 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.595 36.7 -95.0 -97.2 176.9 20.5 32.1 0.1 87 419 B E G > S+ 0 0 34 1,-0.3 3,-1.2 -2,-0.2 25,-0.5 0.881 124.2 54.9 -57.2 -40.7 17.2 31.0 -1.6 88 420 B N G 3 S+ 0 0 101 1,-0.2 -1,-0.3 25,-0.1 -36,-0.0 0.538 98.1 63.9 -74.7 -7.3 15.3 33.8 0.2 89 421 B D G < S+ 0 0 64 -3,-1.7 -37,-2.0 -37,-0.1 -36,-0.4 0.611 102.0 54.0 -86.2 -15.1 17.6 36.5 -1.1 90 422 B L E < -K 51 0C 1 -3,-1.2 22,-0.5 -4,-0.4 2,-0.3 -0.809 51.5-167.7-130.8 154.9 16.7 36.0 -4.7 91 423 B L E -KN 50 111C 25 -41,-2.2 -41,-3.0 -2,-0.3 2,-0.4 -0.940 19.2-136.0-129.0 158.5 14.1 35.8 -7.4 92 424 B V E -KN 49 110C 0 18,-2.7 18,-2.9 -2,-0.3 2,-0.5 -0.954 9.9-157.0-115.8 141.5 14.2 34.7 -11.0 93 425 B R E -KN 48 109C 8 -45,-2.5 -45,-2.3 -2,-0.4 2,-0.4 -0.970 16.4-170.7-118.9 119.0 12.5 36.6 -13.8 94 426 B I E +KN 47 108C 0 14,-3.1 14,-2.7 -2,-0.5 -47,-0.2 -0.887 59.5 26.9-119.1 144.8 11.7 34.5 -16.8 95 427 B G S S+ 0 0 7 -49,-1.0 -1,-0.2 -2,-0.4 2,-0.1 0.584 84.1 153.3 86.0 14.7 10.4 35.5 -20.3 96 428 B K + 0 0 13 -50,-0.4 -1,-0.2 -3,-0.3 -55,-0.1 -0.388 27.3 162.6 -79.2 156.2 12.0 39.0 -20.2 97 429 B H + 0 0 38 1,-0.2 91,-2.0 4,-0.1 -1,-0.1 0.532 65.7 66.3-126.2 -63.9 13.2 41.3 -23.0 98 430 B S B S-Q 187 0E 14 89,-0.2 89,-0.3 1,-0.1 -1,-0.2 -0.351 73.9-142.5 -58.0 137.3 13.4 44.8 -21.3 99 431 B R S S+ 0 0 12 87,-2.5 -1,-0.1 86,-0.1 88,-0.1 0.895 93.8 15.9 -68.4 -40.4 16.1 45.0 -18.6 100 432 B T S S+ 0 0 21 86,-0.5 192,-2.6 191,-0.1 -1,-0.1 0.667 101.3 93.9-114.3 -17.8 14.2 47.3 -16.3 101 433 B R S S- 0 0 145 190,-0.2 2,-0.8 1,-0.1 -4,-0.1 -0.386 74.4-120.3 -78.3 156.1 10.4 47.3 -17.3 102 434 B Y - 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