==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-02 1KSN . COMPND 2 MOLECULE: COAGULATION FACTOR XA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.MAIGNAN,J.P.GUILLOTEAU . 286 2 8 7 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 175 61.2 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 29.4 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 . 1 0.3 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 . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 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 . 4 4 2 4 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 0.000 360.0 360.0 360.0 130.6 10.5 14.0 32.2 2 17 A V B -A 179 0A 6 177,-3.5 177,-1.3 142,-0.0 2,-0.2 -0.855 360.0 -20.9 -96.8 127.9 8.4 12.0 34.7 3 18 A G S S+ 0 0 28 -2,-0.5 175,-0.1 130,-0.5 142,-0.1 -0.520 94.4 109.3 73.8-138.4 9.7 12.5 38.3 4 19 A G S S- 0 0 20 -2,-0.2 142,-0.2 143,-0.1 2,-0.2 0.152 70.3 -81.4 55.7 178.8 13.3 13.7 38.4 5 20 A Q E -B 145 0B 145 140,-1.6 140,-3.2 1,-0.1 2,-0.2 -0.696 43.2 -89.2-115.0 168.2 14.3 17.2 39.5 6 21 A E E -B 144 0B 65 138,-0.2 2,-0.5 -2,-0.2 138,-0.3 -0.525 44.4-110.7 -74.2 140.7 14.4 20.6 37.8 7 22 A a - 0 0 1 136,-2.7 136,-0.2 -2,-0.2 3,-0.1 -0.644 40.3-147.2 -72.9 121.9 17.7 21.4 36.0 8 23 A K >> - 0 0 110 -2,-0.5 3,-2.0 1,-0.2 4,-0.5 -0.234 42.7 -46.9 -81.8 178.9 19.2 24.2 38.2 9 24 A D T 34 S- 0 0 84 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.232 124.6 -9.5 -54.6 121.1 21.3 27.1 36.8 10 25 A G T 34 S+ 0 0 2 -3,-0.1 275,-1.1 2,-0.1 -1,-0.3 0.538 102.5 117.1 69.1 7.4 24.0 26.0 34.5 11 26 A E T <4 S+ 0 0 61 -3,-2.0 -2,-0.1 1,-0.2 3,-0.1 0.847 81.8 25.7 -73.8 -40.5 23.3 22.4 35.3 12 27 A a S >< S+ 0 0 9 -4,-0.5 3,-1.3 1,-0.1 -1,-0.2 -0.504 71.5 153.4-125.7 65.2 22.2 21.1 31.9 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.3 0, 0.0 42,-0.3 0.658 67.0 62.7 -67.2 -19.8 24.0 23.5 29.5 14 29 A W T 3 S+ 0 0 4 90,-0.2 17,-3.0 -3,-0.1 2,-0.2 0.462 75.5 114.6 -86.3 -3.5 24.1 21.0 26.6 15 30 A Q E < -J 30 0C 6 -3,-1.3 40,-0.7 15,-0.2 2,-0.3 -0.511 43.7-176.6 -71.8 133.3 20.4 20.8 26.3 16 31 A A E -JK 29 54C 1 13,-2.4 13,-1.3 -2,-0.2 2,-0.4 -0.821 13.2-143.8-121.6 164.1 19.0 22.2 23.1 17 32 A L E -JK 28 53C 5 36,-1.6 36,-2.4 -2,-0.3 2,-0.5 -0.949 5.0-142.6-140.4 118.8 15.4 22.4 22.1 18 33 A L E -JK 27 52C 0 9,-2.0 8,-2.7 -2,-0.4 9,-1.2 -0.651 25.9-169.6 -78.2 123.5 13.8 21.9 18.7 19 34 A I E -JK 25 51C 2 32,-2.6 32,-2.5 -2,-0.5 6,-0.2 -0.900 12.3-133.3-118.6 146.4 11.0 24.4 18.2 20 35 A N E > - K 0 50C 34 4,-2.0 3,-2.8 -2,-0.4 30,-0.2 -0.353 41.0 -87.0 -89.4 173.1 8.3 24.6 15.5 21 36 A E T 3 S+ 0 0 69 28,-1.1 29,-0.1 1,-0.3 -1,-0.1 0.723 129.5 57.6 -51.9 -23.0 7.2 27.5 13.4 22 37 A E T 3 S- 0 0 134 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.201 118.8-110.6 -95.2 15.5 4.7 28.3 16.2 23 38 A N S < S+ 0 0 105 -3,-2.8 2,-0.5 1,-0.2 -2,-0.1 0.661 73.9 135.6 66.3 19.8 7.5 28.5 18.8 24 39 A E - 0 0 114 -4,-0.1 -4,-2.0 2,-0.0 2,-0.3 -0.870 56.4-126.2-102.4 127.0 6.5 25.3 20.6 25 40 A G E +J 19 0C 12 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.533 34.9 167.2 -70.1 130.7 9.3 22.9 21.6 26 41 A F E + 0 0 24 -8,-2.7 2,-0.3 1,-0.3 157,-0.3 0.570 60.7 11.9-120.3 -16.7 8.6 19.5 20.2 27 42 A b E -J 18 0C 0 -9,-1.2 -9,-2.0 157,-0.1 -1,-0.3 -0.945 67.6-126.6-152.7 169.4 11.9 17.6 20.7 28 43 A G E -J 17 0C 1 157,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.452 19.9-173.9-111.9-172.5 15.2 18.0 22.4 29 44 A G E -J 16 0C 0 -13,-1.3 -13,-2.4 -2,-0.2 2,-0.5 -0.976 22.5-115.3-171.0 171.3 18.9 17.9 21.4 30 45 A T E -JL 15 38C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.4 -0.983 26.0-125.2-127.2 124.7 22.4 18.0 22.7 31 46 A I E + L 0 37C 0 -17,-3.0 76,-2.5 -2,-0.5 6,-0.2 -0.530 33.4 170.5 -67.9 123.0 24.9 20.7 21.9 32 47 A L - 0 0 14 4,-3.1 2,-0.3 1,-0.4 5,-0.2 0.705 64.2 -21.1-102.7 -33.2 27.9 18.9 20.4 33 48 A S S S- 0 0 18 3,-1.4 -1,-0.4 72,-0.1 65,-0.1 -0.927 81.6 -76.6-162.0 179.6 29.9 21.9 19.2 34 49 A E S S+ 0 0 104 -2,-0.3 64,-2.5 1,-0.2 3,-0.0 0.834 133.9 27.3 -59.9 -26.0 29.3 25.6 18.4 35 50 A F S S+ 0 0 43 62,-0.2 59,-2.5 1,-0.1 2,-0.4 0.664 110.1 76.3-109.3 -18.8 27.9 24.4 15.1 36 51 A Y E - M 0 93C 14 57,-0.2 -4,-3.1 62,-0.1 -3,-1.4 -0.855 45.6-174.2-112.9 131.9 26.4 20.9 15.8 37 52 A I E -LM 31 92C 0 55,-2.3 55,-2.6 -2,-0.4 2,-0.5 -0.957 16.0-148.6-115.7 126.0 23.3 19.6 17.5 38 53 A L E +LM 30 91C 0 -8,-2.6 -8,-2.2 -2,-0.5 2,-0.2 -0.807 33.8 147.2 -94.5 130.1 22.8 15.9 18.1 39 54 A T E - M 0 90C 0 51,-2.9 51,-1.8 -2,-0.5 2,-0.4 -0.796 48.4 -71.7-146.6-171.9 19.1 14.7 18.0 40 55 A A >> - 0 0 0 -12,-0.4 3,-1.7 -2,-0.2 4,-0.7 -0.787 29.1-140.7 -94.5 132.3 16.7 11.9 17.1 41 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.854 102.3 62.6 -56.9 -37.1 16.0 11.1 13.5 42 57 A H G >4 S+ 0 0 21 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.717 95.0 63.3 -64.4 -17.3 12.4 10.5 14.3 43 58 A b G X4 S+ 0 0 0 -3,-1.7 3,-2.8 1,-0.2 4,-0.2 0.869 83.4 72.6 -73.6 -37.9 12.1 14.1 15.4 44 59 A L G << S+ 0 0 30 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 0.259 97.9 55.0 -62.2 18.8 12.9 15.5 11.9 45 60 A Y G < S+ 0 0 114 -3,-0.6 -1,-0.3 -2,-0.1 -2,-0.2 0.498 86.5 77.6-124.2 -16.3 9.4 14.3 11.2 46 61 A Q S < S+ 0 0 105 -3,-2.8 2,-0.3 -4,-0.2 -2,-0.1 0.346 98.6 33.8 -79.9 4.3 7.5 16.1 14.0 47 61AA A - 0 0 24 -4,-0.2 3,-0.2 1,-0.2 -1,-0.1 -0.963 60.5-141.5-161.7 142.4 7.5 19.6 12.2 48 62 A K S S+ 0 0 175 1,-0.3 2,-0.4 -2,-0.3 -1,-0.2 0.983 99.4 8.9 -64.3 -58.3 7.3 21.2 8.8 49 63 A R S S+ 0 0 153 2,-0.0 -28,-1.1 0, 0.0 2,-0.3 -0.983 80.6 171.4-126.3 136.2 9.8 23.9 9.6 50 64 A F E -K 20 0C 39 -2,-0.4 21,-0.5 -30,-0.2 2,-0.2 -0.970 15.2-163.3-145.2 160.5 11.9 24.0 12.9 51 65 A K E -K 19 0C 84 -32,-2.5 -32,-2.6 -2,-0.3 2,-0.4 -0.792 25.2-109.3-132.8 175.0 14.7 25.8 14.6 52 66 A V E -KN 18 69C 0 17,-3.1 17,-4.3 -2,-0.2 2,-0.5 -0.934 22.8-166.5-115.7 129.9 17.1 25.1 17.6 53 67 A R E -KN 17 68C 37 -36,-2.4 -36,-1.6 -2,-0.4 2,-0.3 -0.962 9.2-176.6-118.1 125.3 16.9 27.0 20.9 54 68 A V E +KN 16 67C 2 13,-2.6 13,-1.2 -2,-0.5 -38,-0.2 -0.806 60.3 33.6-117.5 157.9 19.7 26.8 23.4 55 69 A G S S+ 0 0 9 -40,-0.7 2,-0.4 48,-0.4 10,-0.2 0.518 80.0 138.1 79.9 4.5 20.2 28.2 26.9 56 70 A D + 0 0 11 -41,-0.2 -1,-0.3 -3,-0.2 3,-0.1 -0.681 17.4 157.2 -89.4 135.9 16.5 27.9 27.8 57 71 A R S S+ 0 0 37 -2,-0.4 86,-2.3 1,-0.3 2,-0.3 0.519 73.3 33.0-126.7 -19.4 15.3 26.7 31.2 58 72 A N B > -P 142 0D 8 3,-0.3 2,-1.7 84,-0.2 3,-1.6 -0.879 63.2-154.0-146.0 105.6 11.8 28.1 31.4 59 73 A T T 3 S+ 0 0 45 82,-2.5 83,-0.1 -2,-0.3 3,-0.1 -0.029 89.8 63.2 -71.2 38.2 9.7 28.5 28.3 60 74 A E T 3 S+ 0 0 133 -2,-1.7 2,-0.3 1,-0.3 -1,-0.3 0.370 98.5 42.9-142.6 2.5 7.7 31.3 30.0 61 75 A Q S < S- 0 0 129 -3,-1.6 2,-1.8 0, 0.0 -1,-0.3 -0.933 72.3-129.6-154.3 126.5 10.2 34.1 30.6 62 76 A E + 0 0 168 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.594 32.7 175.8 -78.8 86.6 12.9 35.5 28.4 63 77 A E - 0 0 116 -2,-1.8 -1,-0.2 -5,-0.2 -7,-0.1 0.947 43.5-116.3 -56.5 -53.0 15.7 35.2 31.0 64 78 A G S S+ 0 0 45 -3,-0.2 -1,-0.1 -9,-0.1 -2,-0.1 0.163 95.8 86.8 135.8 -20.0 18.4 36.4 28.5 65 79 A G + 0 0 9 -10,-0.2 -9,-0.1 2,-0.0 36,-0.1 0.675 68.8 107.0 -82.5 -15.4 20.8 33.5 28.1 66 80 A E - 0 0 44 -11,-0.2 2,-0.2 -13,-0.1 -11,-0.2 0.018 45.2-175.6 -59.2 166.4 18.6 31.9 25.4 67 81 A A E -N 54 0C 37 -13,-1.2 -13,-2.6 2,-0.0 2,-0.4 -0.813 15.8-147.1-167.8 121.3 19.5 31.9 21.7 68 82 A V E -N 53 0C 72 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.3 -0.805 21.3-165.9 -94.5 134.2 17.4 30.6 18.7 69 83 A H E -N 52 0C 15 -17,-4.3 -17,-3.1 -2,-0.4 2,-0.3 -0.967 14.7-132.3-126.9 141.5 19.5 29.1 15.9 70 84 A E - 0 0 92 -2,-0.4 25,-3.5 -19,-0.2 2,-0.5 -0.667 23.6-123.4 -89.2 142.4 18.6 28.2 12.4 71 85 A V E +O 94 0C 23 -21,-0.5 23,-0.3 -2,-0.3 3,-0.1 -0.721 26.3 178.2 -89.4 129.9 19.5 24.9 10.9 72 86 A E E S+ 0 0 109 21,-3.8 2,-0.4 -2,-0.5 22,-0.2 0.850 73.3 15.5 -93.0 -47.2 21.6 25.0 7.8 73 87 A V E -O 93 0C 49 20,-1.9 20,-4.0 2,-0.0 2,-0.5 -0.989 60.5-160.9-131.9 136.6 22.1 21.3 7.3 74 88 A V E -O 92 0C 72 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.987 9.8-162.4-118.4 121.7 20.2 18.3 8.8 75 89 A I E -O 91 0C 35 16,-4.3 16,-2.5 -2,-0.5 2,-0.2 -0.873 11.5-174.6-108.8 97.9 22.1 15.1 8.6 76 90 A K E -O 90 0C 76 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.604 36.6 -95.9 -90.7 150.1 19.8 12.1 9.2 77 91 A H > - 0 0 16 12,-1.6 3,-2.2 10,-0.3 -1,-0.1 -0.534 27.1-140.8 -69.6 124.9 21.0 8.5 9.4 78 92 A N T 3 S+ 0 0 129 -2,-0.4 -1,-0.2 1,-0.3 -2,-0.0 0.862 101.5 50.1 -50.1 -42.1 20.7 6.9 6.0 79 93 A R T 3 S+ 0 0 159 2,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.163 78.2 137.2 -87.2 18.7 19.6 3.6 7.6 80 94 A F < - 0 0 23 -3,-2.2 2,-0.5 9,-0.1 7,-0.2 -0.495 36.7-161.0 -70.1 129.3 16.9 5.2 9.9 81 95 A T B >> -Q 86 0E 48 5,-2.2 4,-2.3 -2,-0.3 5,-0.7 -0.941 12.8-161.4-118.2 116.3 13.7 3.1 10.0 82 96 A K T 45S+ 0 0 156 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.757 88.6 57.3 -63.1 -29.1 10.5 4.8 11.2 83 97 A E T 45S+ 0 0 167 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.909 122.9 21.0 -71.2 -43.2 8.7 1.5 11.9 84 98 A T T 45S- 0 0 67 -3,-0.2 -2,-0.2 2,-0.1 81,-0.2 0.564 95.8-128.2-101.6 -12.8 11.3 0.1 14.3 85 99 A Y T ><5 + 0 0 92 -4,-2.3 3,-0.6 1,-0.3 2,-0.2 0.716 54.6 156.7 69.3 20.7 13.0 3.4 15.4 86 100 A D B 3 < +Q 81 0E 21 -5,-0.7 -5,-2.2 1,-0.2 -1,-0.3 -0.529 59.6 21.3 -77.1 148.5 16.2 1.7 14.5 87 101 A F T 3 S+ 0 0 17 -7,-0.2 2,-1.5 1,-0.2 -10,-0.3 0.933 78.3 174.2 59.7 48.7 19.1 4.1 13.7 88 102 A D < + 0 0 1 -3,-0.6 2,-0.3 79,-0.2 -1,-0.2 -0.582 32.5 111.1 -89.6 75.4 17.4 7.0 15.5 89 103 A I + 0 0 0 -2,-1.5 -12,-1.6 -49,-0.2 2,-0.3 -0.991 34.2 167.9-147.5 147.6 20.1 9.5 15.3 90 104 A A E -MO 39 76C 0 -51,-1.8 -51,-2.9 -2,-0.3 2,-0.4 -0.984 20.7-143.5-158.6 154.0 20.6 12.8 13.4 91 105 A V E -MO 38 75C 0 -16,-2.5 -16,-4.3 -2,-0.3 2,-0.5 -0.975 10.6-156.4-125.2 137.4 22.9 15.8 13.3 92 106 A L E -MO 37 74C 0 -55,-2.6 -55,-2.3 -2,-0.4 2,-0.6 -0.967 4.1-154.1-116.7 122.9 21.9 19.4 12.7 93 107 A R E -MO 36 73C 56 -20,-4.0 -21,-3.8 -2,-0.5 -20,-1.9 -0.856 20.1-139.9 -96.5 124.1 24.4 22.0 11.4 94 108 A L E - 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