==== 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 05-JUN-08 2VVC . COMPND 2 MOLECULE: ACTIVATED FACTOR XA HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.GROEBKE-ZBINDEN,D.W.BANNER,J.M.BENZ,F.BLASCO,G.DECORET,J.H . 563 5 16 14 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 59.5 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 . 168 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 2 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 . 32 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 3 2 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 . 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 . 7 7 4 10 5 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 . 4 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 16 A I 0 0 0 0, 0.0 2,-0.4 0, 0.0 179,-0.2 0.000 360.0 360.0 360.0 118.7 8.3 -6.0 25.3 2 17 A V B -A 179 0A 11 177,-2.4 177,-1.9 142,-0.0 132,-0.1 -0.850 360.0 -8.0 -95.2 135.3 11.5 -8.1 24.5 3 18 A G S S+ 0 0 28 130,-0.5 175,-0.1 -2,-0.4 142,-0.1 -0.450 97.5 95.7 69.0-152.6 11.1 -11.8 25.4 4 19 A G S S- 0 0 30 -2,-0.1 2,-0.3 143,-0.1 142,-0.2 -0.186 73.8 -89.2 66.1-163.7 7.9 -12.6 27.3 5 20 A Q E -B 145 0B 87 140,-2.2 140,-3.4 -3,-0.1 2,-0.2 -0.884 36.0 -87.9-143.2 160.1 4.7 -13.9 25.6 6 21 A E E -B 144 0B 94 138,-0.3 2,-0.3 -2,-0.3 138,-0.3 -0.553 54.7-105.4 -67.4 142.4 1.6 -12.5 24.0 7 22 A a - 0 0 1 136,-2.6 136,-0.1 -2,-0.2 3,-0.1 -0.576 33.0-126.9 -66.3 130.2 -1.2 -12.0 26.6 8 23 A K > - 0 0 131 -2,-0.3 3,-2.4 1,-0.2 4,-0.4 -0.328 50.8 -63.7 -65.2 159.0 -3.8 -14.7 26.3 9 24 A D T 3 S+ 0 0 83 1,-0.3 -1,-0.2 2,-0.1 94,-0.0 -0.196 123.8 3.8 -46.2 127.9 -7.4 -13.5 26.0 10 25 A G T 3 S+ 0 0 0 -3,-0.1 555,-1.6 2,-0.1 -1,-0.3 0.436 99.8 110.8 71.9 3.6 -8.5 -11.5 29.1 11 26 A E S < S+ 0 0 34 -3,-2.4 -2,-0.1 1,-0.2 3,-0.1 0.799 86.4 25.6 -79.3 -31.1 -5.0 -11.8 30.7 12 27 A a S > S+ 0 0 7 -4,-0.4 3,-1.1 1,-0.1 -1,-0.2 -0.467 71.2 148.7-134.4 60.0 -4.1 -8.1 30.4 13 28 A P T 3 + 0 0 0 0, 0.0 92,-1.8 0, 0.0 42,-0.3 0.627 65.1 64.4 -77.4 -13.9 -7.4 -6.2 30.3 14 29 A W T 3 S+ 0 0 7 90,-0.2 17,-2.9 -3,-0.1 2,-0.3 0.425 75.1 119.3 -89.4 -1.7 -6.1 -3.0 32.1 15 30 A Q E < -J 30 0C 7 -3,-1.1 40,-0.6 15,-0.2 2,-0.3 -0.508 42.0-173.7 -67.6 124.0 -3.8 -2.2 29.2 16 31 A A E -JK 29 54C 0 13,-2.8 13,-1.8 -2,-0.3 2,-0.5 -0.928 10.7-149.4-110.5 147.5 -4.4 1.1 27.4 17 32 A L E -JK 28 53C 3 36,-3.6 36,-3.8 -2,-0.3 2,-0.5 -0.973 6.8-142.4-119.7 125.7 -2.6 2.1 24.2 18 33 A L E -JK 27 52C 0 9,-2.5 8,-2.0 -2,-0.5 9,-0.9 -0.748 20.0-163.8 -82.5 129.0 -1.8 5.7 23.3 19 34 A I E -JK 25 51C 1 32,-1.9 32,-2.2 -2,-0.5 6,-0.3 -0.950 6.1-144.2-121.4 130.1 -2.1 6.4 19.6 20 35 A N > - 0 0 39 4,-2.8 3,-1.0 -2,-0.4 30,-0.1 0.134 44.9 -78.0 -73.0-167.2 -0.7 9.4 17.8 21 36 A E T 3 S+ 0 0 81 28,-0.3 2,-0.4 1,-0.2 29,-0.1 0.930 130.1 59.9 -57.7 -47.1 -2.3 11.3 14.9 22 37 A E T 3 S- 0 0 58 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.145 118.9-110.8 -70.9 24.0 -1.1 8.6 12.4 23 38 A N S < S+ 0 0 111 -3,-1.0 2,-0.4 -2,-0.4 -1,-0.1 0.588 77.2 134.7 53.8 13.2 -3.2 6.0 14.4 24 39 A E - 0 0 97 1,-0.0 -4,-2.8 2,-0.0 -1,-0.2 -0.779 57.6-122.5 -97.0 135.4 0.1 4.4 15.7 25 40 A G E +J 19 0C 12 -2,-0.4 -6,-0.3 -6,-0.3 3,-0.1 -0.417 36.3 162.9 -68.8 143.0 0.7 3.4 19.3 26 41 A F E + 0 0 24 -8,-2.0 157,-0.5 1,-0.5 2,-0.3 0.435 64.6 16.4-140.2 -11.2 3.7 5.1 20.9 27 42 A b E -J 18 0C 0 -9,-0.9 -9,-2.5 157,-0.1 -1,-0.5 -0.962 68.1-131.2-158.3 162.3 3.2 4.6 24.6 28 43 A G E -J 17 0C 1 157,-3.9 12,-0.4 -2,-0.3 2,-0.3 -0.473 18.5-170.9-107.9-177.4 1.0 2.5 26.9 29 44 A G E -J 16 0C 0 -13,-1.8 -13,-2.8 -2,-0.2 2,-0.5 -0.956 21.6-115.8-160.1 174.4 -1.2 3.3 29.9 30 45 A T E -JL 15 38C 0 8,-2.8 8,-3.3 -2,-0.3 2,-0.3 -0.981 22.8-128.7-122.4 124.6 -3.2 1.6 32.6 31 46 A I E + L 0 37C 0 -17,-2.9 76,-2.1 -2,-0.5 6,-0.2 -0.550 29.8 171.8 -64.1 126.8 -7.0 1.8 32.9 32 47 A L - 0 0 11 4,-2.7 2,-0.3 1,-0.4 77,-0.2 0.634 64.3 -23.6-111.7 -26.6 -7.8 2.8 36.5 33 48 A S S S- 0 0 10 3,-1.1 -1,-0.4 72,-0.1 65,-0.1 -0.915 85.6 -70.2-167.7-174.0 -11.6 3.4 36.2 34 49 A E S S+ 0 0 96 -2,-0.3 64,-2.7 1,-0.2 62,-0.1 0.843 131.5 29.7 -64.6 -32.1 -14.1 4.2 33.5 35 50 A F S S+ 0 0 42 62,-0.2 59,-2.7 58,-0.1 2,-0.4 0.598 109.2 74.2-100.0 -13.2 -12.8 7.8 33.1 36 51 A Y E - M 0 93C 18 57,-0.2 -4,-2.7 -3,-0.1 -3,-1.1 -0.858 45.5-174.6-121.6 141.2 -9.1 7.6 34.0 37 52 A I E -LM 31 92C 0 55,-2.4 55,-2.9 -2,-0.4 2,-0.4 -0.981 16.2-146.6-124.1 131.2 -5.9 6.3 32.5 38 53 A L E +LM 30 91C 0 -8,-3.3 -8,-2.8 -2,-0.4 2,-0.2 -0.833 35.2 145.3 -92.0 138.2 -2.5 6.2 34.2 39 54 A T E - M 0 90C 0 51,-2.6 51,-1.8 -2,-0.4 2,-0.4 -0.838 49.5 -68.9-153.3-167.4 0.5 6.8 32.0 40 55 A A > - 0 0 0 -12,-0.4 3,-1.4 49,-0.2 4,-0.4 -0.736 28.4-139.9 -95.2 140.6 4.1 8.3 31.9 41 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.868 103.0 62.8 -62.5 -29.9 4.5 12.1 32.1 42 57 A H G > S+ 0 0 4 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.596 88.8 69.4 -73.4 -10.0 7.3 11.7 29.5 43 58 A b G X S+ 0 0 0 -3,-1.4 3,-1.5 1,-0.2 -1,-0.3 0.725 83.0 72.2 -76.8 -23.0 4.8 10.4 26.9 44 59 A L G < S+ 0 0 29 -3,-1.4 -1,-0.2 -4,-0.4 3,-0.2 0.465 93.7 54.2 -78.2 0.0 3.1 13.7 26.6 45 60 A Y G < S+ 0 0 108 -3,-0.7 -1,-0.3 1,-0.1 -2,-0.1 0.379 91.7 72.8-108.0 1.9 6.1 15.2 24.7 46 61 A Q S < S+ 0 0 87 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.127 114.8 3.6-105.1 20.6 6.2 12.5 22.0 47 61AA A - 0 0 23 -3,-0.2 -1,-0.3 -27,-0.1 3,-0.1 -0.732 56.3-148.8 167.9 140.9 3.0 13.7 20.3 48 62 A K S S+ 0 0 202 1,-0.3 2,-0.6 -2,-0.2 -2,-0.1 0.877 90.0 45.0 -89.3 -49.6 0.8 16.7 20.8 49 63 A R S S+ 0 0 154 2,-0.0 -28,-0.3 0, 0.0 2,-0.3 -0.804 74.8 148.3 -97.5 121.0 -2.5 15.1 19.6 50 64 A F - 0 0 22 -2,-0.6 21,-0.5 -30,-0.1 2,-0.2 -0.979 26.2-156.6-145.6 163.2 -3.2 11.6 20.9 51 65 A K E -K 19 0C 69 -32,-2.2 -32,-1.9 -2,-0.3 2,-0.5 -0.742 24.4-110.1-126.1 179.6 -6.1 9.3 21.8 52 66 A V E -KN 18 69C 0 17,-2.5 17,-2.1 -2,-0.2 2,-0.4 -0.932 22.8-165.6-122.8 115.9 -6.6 6.2 24.0 53 67 A R E +KN 17 68C 29 -36,-3.8 -36,-3.6 -2,-0.5 2,-0.3 -0.805 12.3 175.2 -95.3 137.8 -7.2 2.7 22.6 54 68 A V E +KN 16 67C 1 13,-2.0 13,-1.5 -2,-0.4 -38,-0.1 -0.876 56.9 39.1-129.3 164.0 -8.4 -0.1 24.9 55 69 A G S S+ 0 0 9 48,-0.6 2,-0.3 -40,-0.6 49,-0.1 0.528 83.4 130.8 78.3 7.7 -9.5 -3.7 24.3 56 70 A D + 0 0 9 -41,-0.2 -1,-0.3 1,-0.1 3,-0.1 -0.694 21.1 154.1 -97.4 142.8 -6.7 -4.2 21.8 57 71 A R S S+ 0 0 65 -2,-0.3 86,-3.7 4,-0.2 2,-0.3 0.418 77.1 41.3-134.6 -13.9 -4.3 -7.1 21.7 58 72 A N B -P 142 0D 19 84,-0.3 84,-0.3 3,-0.2 -1,-0.2 -0.882 58.6-174.4-140.6 101.8 -3.5 -7.1 17.9 59 73 A T S S+ 0 0 48 82,-3.1 -1,-0.1 -2,-0.3 83,-0.1 0.922 85.0 52.0 -69.5 -41.8 -3.0 -3.8 16.2 60 74 A E S S+ 0 0 160 1,-0.1 2,-0.5 2,-0.0 -1,-0.2 0.925 111.7 48.6 -59.6 -48.5 -2.7 -5.1 12.7 61 75 A Q S S- 0 0 114 80,-0.1 2,-0.4 -4,-0.0 -3,-0.2 -0.857 80.9-142.1 -99.3 128.8 -5.9 -7.2 12.9 62 76 A E - 0 0 139 -2,-0.5 2,-0.1 -6,-0.1 -3,-0.1 -0.693 26.2-176.9 -86.9 135.9 -9.1 -5.5 14.2 63 77 A E - 0 0 114 -2,-0.4 2,-0.9 -5,-0.1 3,-0.3 -0.344 37.4 -71.5-115.4-170.2 -11.3 -7.6 16.4 64 78 A G S S+ 0 0 87 1,-0.2 -9,-0.0 -2,-0.1 -1,-0.0 -0.849 113.0 30.2 -85.8 106.8 -14.7 -7.6 18.2 65 79 A G S S+ 0 0 33 -2,-0.9 -1,-0.2 1,-0.3 -9,-0.1 0.271 74.4 127.7 137.5 -15.7 -14.2 -5.3 21.2 66 80 A E - 0 0 40 -3,-0.3 -1,-0.3 -11,-0.1 2,-0.3 -0.274 30.6-179.5 -67.3 157.8 -11.7 -2.5 20.5 67 81 A A E -N 54 0C 27 -13,-1.5 -13,-2.0 2,-0.0 2,-0.4 -0.974 21.2-138.7-158.4 145.0 -12.6 1.2 21.2 68 82 A V E -N 53 0C 80 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.894 17.3-167.7-110.6 138.1 -11.0 4.6 20.9 69 83 A H E -N 52 0C 16 -17,-2.1 -17,-2.5 -2,-0.4 2,-0.1 -0.989 16.3-132.1-127.4 126.0 -11.5 7.3 23.6 70 84 A E - 0 0 90 -2,-0.4 25,-2.7 -19,-0.2 2,-0.5 -0.427 26.6-112.8 -74.4 155.7 -10.6 10.9 23.3 71 85 A V E +O 94 0C 19 -21,-0.5 23,-0.3 23,-0.3 3,-0.1 -0.779 31.0 178.7 -94.2 123.5 -8.7 12.6 26.1 72 86 A E E + 0 0 105 21,-3.1 2,-0.4 -2,-0.5 22,-0.2 0.948 68.8 10.5 -84.3 -65.0 -10.5 15.3 28.0 73 87 A V E -O 93 0C 60 20,-1.3 20,-2.4 2,-0.0 2,-0.6 -0.960 62.9-149.3-120.5 135.0 -8.0 16.5 30.6 74 88 A V E -O 92 0C 70 -2,-0.4 2,-0.7 18,-0.2 18,-0.2 -0.909 11.6-168.6-100.5 121.0 -4.3 15.8 30.9 75 89 A I E +O 91 0C 43 16,-3.2 16,-3.3 -2,-0.6 2,-0.4 -0.908 10.9 179.4-113.9 104.3 -3.1 15.8 34.4 76 90 A K E -O 90 0C 85 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.813 39.6 -99.1-105.4 137.4 0.7 15.7 34.4 77 91 A H > - 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