==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-AUG-09 3IIT . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SUZUKI . 287 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12921.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 61.0 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 . 87 30.3 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 . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 5.6 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 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 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 . 5 4 1 5 3 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 0 0, 0.0 2,-0.5 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 121.1 10.6 14.2 32.3 2 17 A V B -A 179 0A 15 177,-3.4 177,-1.5 142,-0.0 2,-0.2 -0.841 360.0 -17.1 -93.3 126.2 8.6 12.2 34.8 3 18 A G S S+ 0 0 28 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.534 94.5 101.7 75.6-150.5 10.0 12.6 38.2 4 19 A G S S- 0 0 19 -2,-0.2 2,-0.3 143,-0.1 142,-0.2 -0.184 71.5 -77.5 68.2-158.3 13.5 14.0 38.6 5 20 A Q E -B 145 0B 97 140,-2.5 140,-3.1 3,-0.0 2,-0.1 -0.892 43.0 -89.7-136.0 156.8 14.5 17.6 39.5 6 21 A E E -B 144 0B 63 -2,-0.3 2,-0.6 138,-0.3 138,-0.3 -0.454 45.7-108.7 -58.9 144.9 14.6 20.9 37.8 7 22 A a - 0 0 2 136,-3.0 136,-0.1 50,-0.1 3,-0.1 -0.717 42.1-146.6 -67.2 120.7 17.8 21.8 36.1 8 23 A K > - 0 0 106 -2,-0.6 3,-2.9 1,-0.2 4,-0.4 -0.341 42.0 -51.7 -87.0 171.1 19.2 24.5 38.4 9 24 A D T 3 S- 0 0 91 1,-0.3 -1,-0.2 2,-0.1 93,-0.0 -0.152 126.8 -2.4 -49.4 117.3 21.3 27.4 37.2 10 25 A G T 3 S+ 0 0 2 -3,-0.1 276,-1.7 275,-0.1 -1,-0.3 0.353 102.2 110.1 88.7 -7.7 24.1 26.1 35.1 11 26 A E S < S+ 0 0 54 -3,-2.9 -2,-0.1 1,-0.2 3,-0.1 0.713 82.9 27.0 -79.9 -26.1 23.3 22.4 35.5 12 27 A a > + 0 0 8 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.389 69.7 150.5-131.4 53.0 22.1 21.4 32.1 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.5 0, 0.0 42,-0.2 0.672 66.5 60.6 -71.7 -16.8 23.9 23.8 29.8 14 29 A W T 3 S+ 0 0 5 90,-0.2 17,-2.8 -3,-0.1 2,-0.2 0.356 77.5 116.8 -88.1 1.5 24.1 21.4 26.8 15 30 A Q E < -J 30 0C 8 -3,-1.7 40,-0.6 15,-0.2 2,-0.3 -0.557 43.5-173.9 -69.7 133.8 20.3 21.1 26.5 16 31 A A E -JK 29 54C 1 13,-2.5 13,-1.4 -2,-0.2 2,-0.5 -0.921 12.3-147.1-121.0 156.3 18.8 22.5 23.3 17 32 A L E -JK 28 53C 4 36,-2.6 36,-3.3 -2,-0.3 2,-0.5 -0.989 6.8-144.1-124.1 125.1 15.1 22.8 22.5 18 33 A L E -JK 27 52C 0 9,-3.1 8,-2.4 -2,-0.5 9,-1.0 -0.783 24.9-165.7 -87.8 132.4 13.7 22.4 19.0 19 34 A I E -JK 25 51C 5 32,-2.4 32,-2.1 -2,-0.5 6,-0.2 -0.934 8.6-140.1-127.7 142.1 10.8 24.8 18.6 20 35 A N > - 0 0 49 4,-2.5 3,-1.8 -2,-0.4 30,-0.1 -0.036 44.0 -79.4 -88.4-168.9 8.1 25.0 15.9 21 36 A E T 3 S+ 0 0 122 28,-0.3 29,-0.1 1,-0.3 -1,-0.0 0.831 130.9 56.5 -65.8 -30.7 6.6 27.9 14.1 22 37 A E T 3 S- 0 0 83 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.244 119.2-113.2 -81.4 12.2 4.3 28.6 17.1 23 38 A N S < S+ 0 0 91 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.763 73.2 136.6 59.5 27.9 7.5 28.9 19.2 24 39 A E - 0 0 44 2,-0.0 -4,-2.5 1,-0.0 -1,-0.2 -0.872 57.3-116.0-105.1 139.2 6.6 25.7 21.2 25 40 A G E +J 19 0C 12 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.489 37.1 164.9 -70.2 136.4 9.2 23.0 22.0 26 41 A F E + 0 0 20 -8,-2.4 2,-0.3 1,-0.4 157,-0.3 0.456 64.9 9.7-124.6 -9.6 8.5 19.7 20.4 27 42 A b E -J 18 0C 0 -9,-1.0 -9,-3.1 157,-0.1 -1,-0.4 -0.977 66.7-123.2-163.5 161.5 11.9 17.9 20.9 28 43 A G E -J 17 0C 1 157,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.427 20.6-173.0-102.1-179.9 15.3 18.3 22.6 29 44 A G E -J 16 0C 0 -13,-1.4 -13,-2.5 -2,-0.1 2,-0.4 -0.932 21.7-120.7-159.5 170.8 18.8 18.3 21.3 30 45 A T E -JL 15 38C 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.5 -0.978 24.2-124.0-120.9 130.6 22.4 18.3 22.8 31 46 A I E + L 0 37C 0 -17,-2.8 76,-2.3 -2,-0.4 6,-0.2 -0.616 32.4 171.5 -70.4 121.5 24.8 21.1 22.1 32 47 A L - 0 0 14 4,-2.5 2,-0.3 -2,-0.5 77,-0.2 0.709 64.5 -26.2-101.1 -27.5 28.0 19.5 20.6 33 48 A S S S- 0 0 38 3,-1.4 -1,-0.4 72,-0.1 3,-0.2 -0.948 83.2 -69.5-171.0-177.3 29.8 22.7 19.6 34 49 A E S S+ 0 0 96 -2,-0.3 64,-3.0 1,-0.2 62,-0.1 0.843 131.6 28.7 -64.9 -24.2 29.2 26.3 18.6 35 50 A F S S+ 0 0 47 62,-0.2 59,-2.8 1,-0.1 2,-0.4 0.577 109.6 71.5-106.8 -10.0 27.7 25.1 15.3 36 51 A Y E - M 0 93C 7 -3,-0.2 -4,-2.5 57,-0.2 -3,-1.4 -0.935 46.5-172.5-127.7 136.5 26.2 21.7 15.9 37 52 A I E -LM 31 92C 0 55,-2.0 55,-2.5 -2,-0.4 2,-0.5 -0.962 17.5-143.5-114.9 134.3 23.2 20.2 17.7 38 53 A L E +LM 30 91C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.2 -0.832 35.2 149.4 -93.4 131.6 22.7 16.5 18.1 39 54 A T E - M 0 90C 0 51,-2.9 51,-2.3 -2,-0.5 2,-0.4 -0.827 47.6 -77.8-144.6-171.8 19.0 15.3 18.0 40 55 A A > - 0 0 0 -12,-0.4 3,-1.1 49,-0.3 4,-0.5 -0.792 29.0-137.4 -94.7 133.6 16.8 12.3 17.0 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.3 4,-0.5 0.879 103.5 61.9 -53.5 -40.8 16.0 11.7 13.3 42 57 A H G > S+ 0 0 13 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.808 92.7 66.7 -63.5 -22.4 12.4 11.0 14.1 43 58 A b G X S+ 0 0 0 -3,-1.1 3,-1.6 1,-0.2 -1,-0.3 0.788 85.8 69.0 -66.0 -27.4 12.1 14.6 15.5 44 59 A L G X S+ 0 0 24 -3,-1.7 3,-0.8 -4,-0.5 -1,-0.2 0.797 94.4 56.9 -64.7 -24.8 12.6 16.0 12.0 45 60 A Y G < S+ 0 0 149 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.630 92.5 73.5 -78.4 -10.1 9.2 14.7 11.0 46 61 A Q G < S+ 0 0 90 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.2 0.484 103.2 25.2 -88.0 -3.6 7.4 16.6 13.8 47 61AA A < - 0 0 15 -3,-0.8 -1,-0.2 -4,-0.2 3,-0.1 -0.948 60.7-145.1-159.1 136.0 7.6 20.1 12.4 48 62 A K S S+ 0 0 96 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.957 94.2 14.4 -70.3 -49.4 7.9 21.4 8.9 49 63 A R S S+ 0 0 197 2,-0.0 -28,-0.3 0, 0.0 2,-0.3 -0.982 79.2 165.5-127.1 141.6 10.1 24.3 9.9 50 64 A F - 0 0 33 -2,-0.4 21,-0.5 -3,-0.1 2,-0.2 -0.975 20.5-155.1-151.7 161.7 11.9 24.7 13.1 51 65 A K E -KN 19 70C 89 -32,-2.1 -32,-2.4 -2,-0.3 2,-0.5 -0.756 24.8-114.0-129.0 176.3 14.6 26.6 15.0 52 66 A V E -KN 18 69C 0 17,-2.9 17,-3.4 -2,-0.2 2,-0.4 -0.972 21.0-161.4-122.1 125.1 16.8 25.7 18.0 53 67 A R E -KN 17 68C 22 -36,-3.3 -36,-2.6 -2,-0.5 2,-0.3 -0.865 11.3-178.4-102.7 138.6 16.6 27.5 21.3 54 68 A V E +KN 16 67C 3 13,-2.6 13,-2.6 -2,-0.4 -38,-0.1 -0.907 58.6 34.9-127.0 158.5 19.5 27.3 23.9 55 69 A G S S+ 0 0 9 -40,-0.6 2,-0.3 48,-0.6 10,-0.2 0.432 79.8 135.7 85.4 0.3 19.9 28.8 27.3 56 70 A D + 0 0 12 -41,-0.2 -1,-0.3 1,-0.2 3,-0.1 -0.644 17.8 156.3 -91.8 137.1 16.3 28.3 28.3 57 71 A R S S+ 0 0 65 -2,-0.3 86,-2.7 1,-0.3 2,-0.4 0.521 75.5 34.7-123.8 -23.5 15.3 26.9 31.7 58 72 A N B > -P 142 0D 14 3,-0.3 3,-1.7 84,-0.2 -1,-0.3 -0.919 62.2-161.9-137.5 105.9 11.8 28.3 32.1 59 73 A T T 3 S+ 0 0 58 82,-2.7 83,-0.1 -2,-0.4 -1,-0.1 0.553 87.0 66.5 -70.9 -3.4 9.7 28.7 28.9 60 74 A E T 3 S+ 0 0 147 81,-0.4 2,-0.3 1,-0.1 -1,-0.3 0.370 105.1 33.8 -96.9 3.3 7.3 31.2 30.7 61 75 A Q S < S- 0 0 90 -3,-1.7 2,-1.0 0, 0.0 -3,-0.3 -0.989 73.7-117.8-159.7 151.7 9.9 34.0 31.2 62 76 A E + 0 0 115 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.742 26.6 175.4 -92.1 100.3 12.9 35.7 29.6 63 77 A E - 0 0 92 -2,-1.0 -1,-0.1 -5,-0.2 -8,-0.0 0.278 51.0-113.8 -87.3 9.8 15.8 35.2 32.0 64 78 A G S S+ 0 0 67 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.042 99.6 82.6 90.3 -26.3 18.1 36.9 29.5 65 79 A G + 0 0 27 -10,-0.2 -9,-0.1 2,-0.0 2,-0.1 0.517 63.0 112.5 -92.5 -4.3 20.4 34.1 28.5 66 80 A E + 0 0 41 -11,-0.2 2,-0.3 -13,-0.1 -11,-0.2 -0.384 40.8 180.0 -71.9 140.1 18.1 32.4 25.9 67 81 A A E -N 54 0C 39 -13,-2.6 -13,-2.6 -2,-0.1 2,-0.4 -0.995 17.7-146.7-143.4 140.4 19.0 32.5 22.2 68 82 A V E -N 53 0C 72 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.859 16.3-166.0-104.2 135.3 17.3 31.1 19.1 69 83 A H E -N 52 0C 11 -17,-3.4 -17,-2.9 -2,-0.4 2,-0.2 -0.966 16.0-129.9-121.8 140.9 19.3 29.8 16.2 70 84 A E E -N 51 0C 80 -2,-0.4 25,-2.5 -19,-0.2 2,-0.5 -0.568 26.0-118.7 -81.6 150.1 18.3 29.0 12.7 71 85 A V E +O 94 0C 26 -21,-0.5 23,-0.3 23,-0.2 3,-0.1 -0.805 27.8 179.9 -90.4 128.7 19.2 25.7 11.2 72 86 A E E S+ 0 0 108 21,-3.1 2,-0.4 -2,-0.5 22,-0.2 0.879 70.2 14.5 -93.0 -47.3 21.4 25.8 8.1 73 87 A V E -O 93 0C 57 20,-1.8 20,-3.1 2,-0.0 2,-0.5 -1.000 60.6-153.6-133.5 132.9 21.8 22.1 7.3 74 88 A V E -O 92 0C 72 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.939 11.1-168.1-103.3 123.1 19.9 19.0 8.6 75 89 A I E -O 91 0C 35 16,-3.1 16,-2.7 -2,-0.5 2,-0.4 -0.928 10.5-176.0-115.6 102.6 22.0 15.9 8.4 76 90 A K E -O 90 0C 64 -2,-0.7 14,-0.2 14,-0.2 2,-0.2 -0.824 35.9-103.3-104.4 139.7 19.8 12.9 9.0 77 91 A H > - 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