==== 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 18-AUG-06 2J38 . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SENGER,M.A.CONVERY,C.CHAN,N.S.WATSON . 285 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 60.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 29.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 3 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 . 6 3 2 5 2 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 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 16 A I 0 0 1 0, 0.0 2,-0.6 0, 0.0 179,-0.3 0.000 360.0 360.0 360.0 119.9 10.9 14.0 32.2 2 17 A V B -A 179 0A 9 177,-3.2 177,-1.8 178,-0.0 2,-0.3 -0.835 360.0 -12.7 -88.5 119.7 8.7 12.1 34.6 3 18 A G S S+ 0 0 27 -2,-0.6 175,-0.1 130,-0.5 142,-0.1 -0.714 92.8 99.9 93.2-142.1 10.2 12.6 38.1 4 19 A G S S- 0 0 19 -2,-0.3 2,-0.3 143,-0.1 142,-0.2 -0.004 70.1 -80.3 56.2-155.9 13.7 14.1 38.6 5 20 A Q E -B 145 0B 120 140,-2.3 140,-2.5 3,-0.0 2,-0.1 -0.852 41.8 -86.3-137.8 170.1 14.5 17.8 39.5 6 21 A E E -B 144 0B 69 -2,-0.3 2,-0.6 138,-0.2 138,-0.3 -0.509 46.6-108.5 -73.6 149.5 14.8 21.1 37.8 7 22 A a - 0 0 1 136,-2.4 136,-0.2 50,-0.2 3,-0.1 -0.762 38.8-142.6 -74.2 124.1 18.1 22.0 36.3 8 23 A K > - 0 0 110 -2,-0.6 3,-2.4 1,-0.2 4,-0.4 -0.382 44.2 -56.5 -82.0 165.8 19.5 24.7 38.6 9 24 A D T 3 S+ 0 0 89 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.168 125.2 1.4 -49.6 123.2 21.5 27.6 37.1 10 25 A G T 3 S+ 0 0 1 -3,-0.1 275,-1.4 276,-0.1 -1,-0.3 0.310 101.4 109.0 83.7 -4.3 24.5 26.3 35.1 11 26 A E S < S+ 0 0 58 -3,-2.4 -2,-0.1 1,-0.2 3,-0.1 0.753 82.8 27.6 -79.6 -31.5 23.8 22.6 35.5 12 27 A a > + 0 0 11 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.368 69.8 151.7-126.6 57.6 22.6 21.4 32.1 13 28 A P T 3 + 0 0 1 0, 0.0 92,-1.7 0, 0.0 42,-0.3 0.642 65.5 63.4 -65.9 -19.0 24.4 23.9 29.8 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.5 92,-0.1 2,-0.2 0.342 75.6 119.4 -88.3 5.6 24.5 21.4 26.8 15 30 A Q E < -J 30 0C 10 -3,-1.6 40,-0.5 15,-0.2 2,-0.4 -0.491 40.4-174.4 -71.1 138.0 20.7 21.2 26.4 16 31 A A E -JK 29 54C 0 13,-1.9 13,-1.6 -2,-0.2 2,-0.4 -0.987 11.1-151.1-132.3 142.9 19.2 22.4 23.1 17 32 A L E -JK 28 53C 11 36,-2.9 36,-3.3 -2,-0.4 2,-0.5 -0.964 9.5-141.6-117.2 130.1 15.5 22.7 22.2 18 33 A L E -JK 27 52C 0 9,-3.1 8,-1.7 -2,-0.4 9,-0.9 -0.785 26.1-163.9 -89.9 128.1 14.2 22.2 18.7 19 34 A I E -JK 25 51C 1 32,-2.9 32,-2.3 -2,-0.5 6,-0.2 -0.964 8.3-149.0-123.1 137.2 11.4 24.7 18.1 20 35 A N > - 0 0 40 4,-2.2 3,-2.0 -2,-0.4 4,-0.2 -0.096 48.3 -71.8 -84.4-169.6 8.6 25.0 15.4 21 36 A E T 3 S+ 0 0 91 28,-0.4 29,-0.1 1,-0.3 26,-0.0 0.731 131.3 55.1 -55.6 -32.9 6.9 28.0 13.8 22 37 A E T 3 S- 0 0 158 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.163 120.7-107.5 -87.8 15.4 4.9 28.7 17.0 23 38 A N S < S+ 0 0 106 -3,-2.0 2,-0.5 1,-0.2 -2,-0.2 0.899 74.8 149.9 54.2 44.6 8.2 28.9 19.0 24 39 A E - 0 0 103 -4,-0.2 -4,-2.2 0, 0.0 -1,-0.2 -0.935 48.1-124.6-116.6 124.4 7.1 25.6 20.4 25 40 A G E +J 19 0C 9 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.412 38.0 155.8 -67.8 134.3 9.4 22.8 21.6 26 41 A F E + 0 0 23 -8,-1.7 2,-0.3 1,-0.4 157,-0.3 0.454 66.6 13.6-131.6 -15.3 8.8 19.3 20.1 27 42 A b E -J 18 0C 0 -9,-0.9 -9,-3.1 157,-0.1 -1,-0.4 -0.982 66.3-127.5-157.4 158.7 12.3 17.7 20.6 28 43 A G E -J 17 0C 2 157,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.359 19.7-170.4 -99.0-177.5 15.6 18.1 22.4 29 44 A G E -J 16 0C 0 -13,-1.6 -13,-1.9 10,-0.1 2,-0.4 -0.960 20.4-120.8-161.9 170.5 19.2 18.2 21.3 30 45 A T E -JL 15 38C 0 8,-2.0 8,-2.8 -2,-0.3 2,-0.4 -0.998 24.7-127.0-126.7 124.6 22.8 18.2 22.7 31 46 A I E + L 0 37C 0 -17,-2.5 76,-2.0 -2,-0.4 6,-0.2 -0.613 31.9 170.5 -70.2 120.7 25.3 21.0 22.0 32 47 A L - 0 0 15 4,-3.2 2,-0.3 -2,-0.4 5,-0.2 0.647 63.7 -27.1-105.1 -25.9 28.5 19.3 20.6 33 48 A S S S- 0 0 33 3,-1.2 -1,-0.4 72,-0.1 3,-0.1 -0.938 82.4 -69.1-173.8 178.2 30.4 22.5 19.5 34 49 A E S S+ 0 0 101 -2,-0.3 64,-3.1 1,-0.2 3,-0.0 0.732 134.1 27.5 -56.9 -25.2 29.8 26.2 18.3 35 50 A F S S+ 0 0 49 62,-0.2 59,-2.1 1,-0.1 2,-0.5 0.547 109.9 79.7-111.1 -12.8 28.3 24.8 15.0 36 51 A Y E + M 0 93C 10 57,-0.2 -4,-3.2 -3,-0.1 -3,-1.2 -0.869 42.2 179.6-122.1 137.0 26.9 21.4 15.9 37 52 A I E -LM 31 92C 0 55,-1.7 55,-2.6 -2,-0.5 2,-0.5 -0.908 18.0-146.8-117.3 135.1 23.8 19.9 17.6 38 53 A L E +LM 30 91C 0 -8,-2.8 -8,-2.0 -2,-0.4 53,-0.2 -0.905 31.9 150.6-102.0 133.4 23.1 16.3 18.1 39 54 A T E - M 0 90C 0 51,-3.1 51,-2.0 -2,-0.5 2,-0.4 -0.783 47.4 -77.3-145.6-174.4 19.5 15.0 17.9 40 55 A A > - 0 0 0 -12,-0.4 3,-1.9 49,-0.2 4,-0.4 -0.817 30.3-136.5 -94.8 136.9 17.3 12.0 17.0 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.3 4,-0.2 0.866 103.9 62.7 -56.1 -38.7 16.7 11.3 13.3 42 57 A H G > S+ 0 0 10 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.541 89.4 71.1 -67.8 -7.6 13.0 10.6 14.0 43 58 A b G X S+ 0 0 1 -3,-1.9 3,-0.8 1,-0.2 -1,-0.3 0.782 84.4 67.8 -78.9 -23.0 12.7 14.2 15.2 44 59 A L G < S+ 0 0 26 -3,-1.7 3,-0.4 -4,-0.4 -1,-0.2 0.522 90.7 61.5 -73.2 -11.3 13.0 15.5 11.6 45 60 A Y G < S+ 0 0 114 -3,-0.6 -1,-0.3 -4,-0.2 3,-0.1 -0.214 92.5 72.7-104.5 37.8 9.7 14.1 10.6 46 61 A Q S < S+ 0 0 93 -3,-0.8 2,-0.2 1,-0.3 -1,-0.2 0.303 96.9 29.3-134.4 6.0 7.9 16.3 13.2 47 61AA A - 0 0 27 -3,-0.4 -1,-0.3 1,-0.1 3,-0.2 -0.806 60.1-139.7-169.9 128.3 7.9 19.9 11.9 48 62 A K S S+ 0 0 204 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.873 95.7 6.1 -55.2 -40.8 8.0 21.3 8.4 49 63 A R S S+ 0 0 150 -3,-0.1 -28,-0.4 2,-0.0 2,-0.3 -0.984 76.2 171.6-151.6 133.6 10.5 24.0 9.5 50 64 A F - 0 0 35 -2,-0.3 21,-0.5 -3,-0.2 2,-0.3 -0.932 18.1-152.7-142.4 164.3 12.4 24.5 12.8 51 65 A K E -K 19 0C 69 -32,-2.3 -32,-2.9 -2,-0.3 2,-0.5 -0.782 26.3-112.9-125.3 170.6 15.1 26.4 14.6 52 66 A V E -KN 18 69C 0 17,-3.0 17,-3.1 -2,-0.3 2,-0.4 -0.946 23.1-163.4-114.0 128.5 17.3 25.6 17.6 53 67 A R E +KN 17 68C 36 -36,-3.3 -36,-2.9 -2,-0.5 2,-0.3 -0.918 12.6 172.1-110.0 133.1 17.1 27.3 21.1 54 68 A V E +KN 16 67C 1 13,-2.7 13,-2.1 -2,-0.4 -38,-0.1 -0.827 53.7 41.9-128.6 168.9 19.9 27.2 23.7 55 69 A G S S+ 0 0 7 48,-0.5 2,-0.4 -40,-0.5 10,-0.3 0.636 80.3 128.8 71.4 18.3 20.5 28.8 27.1 56 70 A D + 0 0 17 -41,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.880 24.0 160.2-113.7 136.6 16.9 28.5 28.3 57 71 A R S S+ 0 0 56 -2,-0.4 86,-2.7 1,-0.3 2,-0.4 0.628 77.3 34.9-119.3 -28.0 15.6 27.1 31.6 58 72 A N B > -P 142 0D 14 3,-0.2 3,-1.1 84,-0.2 -1,-0.3 -0.964 61.4-161.4-131.2 111.5 12.1 28.5 31.9 59 73 A T T 3 S+ 0 0 55 82,-2.3 83,-0.1 -2,-0.4 -1,-0.1 0.632 85.2 69.7 -69.3 -9.3 10.1 29.0 28.7 60 74 A E T 3 S+ 0 0 144 81,-0.4 2,-0.3 2,-0.0 -1,-0.2 0.152 106.3 16.2 -96.1 17.8 7.8 31.5 30.5 61 75 A Q S < S- 0 0 117 -3,-1.1 2,-0.6 0, 0.0 -3,-0.2 -0.977 79.2 -94.6-172.8 170.0 10.3 34.4 30.9 62 76 A E + 0 0 150 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.1 -0.884 28.0 171.5-102.2 112.9 13.6 36.0 29.9 63 77 A E - 0 0 146 -2,-0.6 -1,-0.1 -5,-0.1 -7,-0.0 0.426 53.3-117.6 -95.6 0.7 16.6 35.1 32.0 64 78 A G S S+ 0 0 60 1,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.285 95.6 88.4 86.6 -7.1 18.9 36.8 29.4 65 79 A G + 0 0 6 -10,-0.3 -9,-0.1 2,-0.0 -11,-0.1 0.459 58.9 122.6 -99.5 -1.8 21.0 33.8 28.3 66 80 A E + 0 0 43 -13,-0.0 2,-0.3 -11,-0.0 -11,-0.2 -0.262 34.2 178.0 -65.8 144.0 18.6 32.6 25.6 67 81 A A E -N 54 0C 34 -13,-2.1 -13,-2.7 2,-0.0 2,-0.4 -0.964 15.0-154.8-152.2 127.8 19.8 32.3 21.9 68 82 A V E -N 53 0C 78 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.869 14.7-167.1-104.3 137.9 17.9 31.1 18.8 69 83 A H E -N 52 0C 15 -17,-3.1 -17,-3.0 -2,-0.4 2,-0.3 -0.974 15.9-134.3-130.1 137.0 19.8 29.6 15.8 70 84 A E - 0 0 86 -2,-0.4 25,-2.4 -19,-0.2 26,-0.5 -0.643 26.9-121.9 -84.1 148.2 18.9 28.8 12.3 71 85 A V E -O 94 0C 28 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.777 24.3-177.2 -93.3 131.5 19.9 25.4 10.8 72 86 A E E S+ 0 0 105 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.875 72.5 13.7 -90.9 -45.2 22.1 25.5 7.6 73 87 A V E -O 93 0C 55 20,-1.4 20,-2.7 2,-0.0 2,-0.5 -0.997 61.2-151.4-137.1 134.6 22.4 21.7 7.0 74 88 A V E -O 92 0C 68 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.944 11.9-163.5-104.9 125.0 20.5 18.7 8.4 75 89 A I E -O 91 0C 35 16,-2.8 16,-2.2 -2,-0.5 2,-0.3 -0.877 11.6-177.8-114.5 99.0 22.6 15.5 8.5 76 90 A K E -O 90 0C 81 -2,-0.6 14,-0.2 14,-0.2 2,-0.2 -0.711 36.3-104.6 -95.3 139.4 20.4 12.4 8.9 77 91 A H > - 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