==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JUL-95 1PFX . COMPND 2 MOLECULE: FACTOR IXA; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR H.BRANDSTETTER,M.BAUER,R.HUBER,P.LOLLAR,W.BODE . 382 3 11 10 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 58.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 34 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 0 0 1 3 0 0 1 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 5 4 6 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 0 1 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 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 C I > 0 0 2 0, 0.0 3,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 117.7 129.3 165.8 92.5 2 17 C V B 3 -A 179 0A 3 177,-2.3 177,-2.1 1,-0.2 132,-0.2 -0.647 360.0 -2.3 -85.1 125.7 130.5 168.2 89.8 3 18 C G T 3 S+ 0 0 41 130,-0.9 -1,-0.2 -2,-0.4 175,-0.1 0.665 102.7 122.9 73.1 16.4 133.9 167.6 88.3 4 19 C G < - 0 0 26 -3,-0.8 2,-0.3 175,-0.2 142,-0.2 0.080 57.3-111.5 -88.2-153.8 134.6 164.6 90.5 5 20 C E E -B 145 0B 115 140,-2.4 140,-2.7 -3,-0.1 2,-0.2 -0.929 32.2 -90.0-140.7 160.5 135.5 161.0 89.6 6 21 C N E -B 144 0B 79 -2,-0.3 138,-0.3 138,-0.2 2,-0.2 -0.530 41.8-131.8 -74.9 136.0 133.7 157.6 89.9 7 22 C A - 0 0 0 136,-3.1 -1,-0.1 -2,-0.2 5,-0.0 -0.543 18.5-112.2 -88.5 153.2 134.4 155.8 93.1 8 23 C K > - 0 0 143 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.688 42.7 -96.6 -84.5 137.8 135.4 152.1 93.3 9 24 C P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.310 112.9 20.3 -55.1 125.0 132.8 149.8 94.8 10 25 C G T 3 S+ 0 0 12 94,-0.1 363,-0.6 2,-0.1 362,-0.4 0.282 91.9 109.3 97.5 -9.5 133.6 149.2 98.5 11 26 C Q S < S+ 0 0 50 -3,-2.6 360,-0.1 1,-0.3 93,-0.0 0.675 82.5 40.5 -72.0 -19.8 135.8 152.3 98.7 12 27 C F > + 0 0 19 -4,-0.3 3,-1.2 3,-0.1 -1,-0.3 -0.591 62.8 172.8-134.0 77.1 133.2 154.1 100.8 13 28 C P T 3 S+ 0 0 2 0, 0.0 93,-2.5 0, 0.0 89,-0.1 0.395 83.7 44.1 -61.8 -1.5 131.7 151.7 103.5 14 29 C W T 3 S+ 0 0 7 91,-0.2 16,-1.5 15,-0.1 2,-0.4 0.512 81.4 112.5-119.0 -16.4 129.8 154.5 105.2 15 30 C Q E < -G 29 0C 5 -3,-1.2 39,-0.4 14,-0.2 2,-0.3 -0.469 49.4-173.0 -62.5 116.8 128.4 156.3 102.2 16 31 C V E -G 28 0C 0 12,-2.4 12,-1.4 -2,-0.4 2,-0.4 -0.881 20.0-137.0-118.8 145.2 124.7 155.8 102.3 17 32 C L E -GH 27 52C 4 35,-0.5 35,-2.7 -2,-0.3 2,-0.7 -0.885 16.4-147.0 -99.6 133.5 122.1 156.7 99.7 18 33 C L E -GH 26 51C 0 8,-2.6 7,-1.1 -2,-0.4 8,-1.0 -0.907 14.8-172.6-107.7 109.9 118.9 158.3 101.0 19 34 C N E + H 0 50C 19 31,-2.5 31,-2.9 -2,-0.7 2,-0.2 -0.830 26.8 124.3 -99.7 138.6 115.7 157.4 99.1 20 35 C G > + 0 0 12 -2,-0.4 3,-1.3 29,-0.2 2,-0.1 -0.670 67.6 3.6-158.8-144.3 112.5 159.2 100.0 21 36 C K T 3 S- 0 0 142 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 -0.416 146.9 -5.9 -57.3 113.7 109.9 161.3 98.2 22 38 C I T 3 S- 0 0 147 -2,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.161 112.0-117.5 81.7 -14.4 111.4 161.0 94.7 23 39 C D S < S+ 0 0 84 -3,-1.3 -4,-0.2 1,-0.1 -2,-0.0 0.041 87.5 51.4 73.7 172.7 114.6 159.1 95.8 24 40 C A + 0 0 30 1,-0.2 -5,-0.2 2,-0.1 116,-0.1 0.676 67.8 131.6 28.3 43.0 118.3 160.0 95.7 25 41 C F S S+ 0 0 32 -7,-1.1 159,-0.4 1,-0.2 158,-0.3 0.584 71.3 4.7 -93.3 -14.1 117.6 163.4 97.3 26 42 C a E -G 18 0C 5 -8,-1.0 -8,-2.6 157,-0.2 2,-0.2 -0.982 61.7-138.3-161.9 165.2 120.3 163.1 100.0 27 43 C G E -G 17 0C 2 158,-3.0 12,-0.3 -2,-0.3 2,-0.3 -0.527 19.6-172.0-116.5-173.2 123.2 161.0 101.2 28 44 C G E -G 16 0C 0 -12,-1.4 -12,-2.4 -2,-0.2 2,-0.4 -0.947 18.5-121.2-168.1 178.5 124.2 160.0 104.7 29 45 C S E -GI 15 37C 0 8,-2.3 8,-1.6 -2,-0.3 2,-0.4 -0.987 27.5-115.8-142.7 127.0 127.0 158.3 106.7 30 46 C I E + I 0 36C 0 -16,-1.5 78,-2.0 -2,-0.4 6,-0.2 -0.433 26.0 178.6 -65.1 114.6 126.7 155.3 109.0 31 47 C I E S- 0 0 18 4,-1.7 2,-0.3 1,-0.4 -1,-0.2 0.828 73.0 -35.8 -79.8 -37.9 127.5 156.2 112.6 32 48 C N E > S- I 0 35C 19 3,-1.5 3,-0.6 -3,-0.1 -1,-0.4 -0.933 81.0 -63.1-176.1 162.9 126.8 152.6 113.5 33 49 C E T 3 S+ 0 0 61 -2,-0.3 66,-2.6 1,-0.2 3,-0.1 0.540 128.8 26.9 -24.4 -37.6 124.6 149.5 112.7 34 50 C K T 3 S+ 0 0 58 64,-0.2 61,-2.9 1,-0.2 2,-0.4 0.802 116.8 51.6-104.1 -37.0 121.4 151.2 113.7 35 51 C W E < -IJ 32 94C 17 -3,-0.6 -4,-1.7 59,-0.2 -3,-1.5 -0.891 57.1-171.4-111.9 126.0 121.8 155.0 113.3 36 52 C V E -IJ 30 93C 0 57,-2.6 57,-2.1 -2,-0.4 2,-0.3 -0.581 17.9-132.2-103.3 172.2 122.9 156.9 110.1 37 53 C V E +IJ 29 92C 0 -8,-1.6 -8,-2.3 55,-0.2 2,-0.3 -0.939 33.2 146.8-126.2 150.0 123.7 160.6 109.9 38 54 C T E - J 0 91C 0 53,-2.3 53,-3.0 -2,-0.3 2,-0.4 -0.936 50.3 -67.9-163.5 177.5 122.6 163.2 107.4 39 55 C A > - 0 0 0 -12,-0.3 3,-1.6 51,-0.3 4,-0.3 -0.666 36.6-127.9 -85.5 136.4 121.8 166.9 107.1 40 56 C A G > S+ 0 0 3 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.825 103.7 70.8 -48.1 -39.3 118.6 168.2 108.8 41 57 C H G 3 S+ 0 0 38 1,-0.3 -1,-0.3 44,-0.1 144,-0.1 0.282 88.4 65.3 -67.7 15.0 117.4 169.9 105.6 42 58 C a G < S+ 0 0 1 -3,-1.6 2,-1.4 1,-0.1 -1,-0.3 0.557 75.2 95.5-106.5 -17.9 116.7 166.4 104.1 43 59 C I < - 0 0 46 -3,-2.2 -1,-0.1 -4,-0.3 30,-0.0 -0.615 58.7-171.0 -79.4 90.1 114.0 165.6 106.6 44 60 C E > - 0 0 80 -2,-1.4 3,-1.6 1,-0.1 -23,-0.1 -0.751 34.2-104.4 -84.6 122.4 110.8 166.6 104.6 45 60AC P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.182 99.0 8.9 -48.6 123.2 107.8 166.5 107.0 46 61 C G T 3 S+ 0 0 88 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.631 95.2 119.7 83.2 12.9 105.6 163.5 106.3 47 62 C V < - 0 0 44 -3,-1.6 2,-0.5 -26,-0.0 -1,-0.2 -0.823 59.5-125.9-110.1 154.3 107.8 161.4 104.0 48 63 C K - 0 0 199 -2,-0.3 2,-0.4 21,-0.0 23,-0.1 -0.876 25.6-155.1 -99.6 123.8 109.1 157.9 104.5 49 64 C I - 0 0 15 -2,-0.5 21,-2.4 21,-0.2 2,-0.5 -0.840 8.5-165.5-104.6 138.0 112.9 157.6 104.1 50 65 C T E -HK 19 69C 37 -31,-2.9 -31,-2.5 -2,-0.4 19,-0.2 -0.977 15.3-141.5-122.4 117.8 114.8 154.4 103.3 51 66 C V E -HK 18 68C 0 17,-0.8 17,-1.5 -2,-0.5 2,-0.3 -0.575 9.0-154.4 -75.8 141.3 118.6 154.3 103.7 52 67 C V E > -HK 17 67C 1 -35,-2.7 3,-1.3 -2,-0.2 -35,-0.5 -0.543 17.1-175.4-118.9 65.5 120.3 152.4 100.9 53 68 C A E 3 + K 0 66C 0 13,-1.4 13,-2.0 -2,-0.3 -37,-0.1 -0.101 68.5 21.8 -54.7 155.7 123.5 151.1 102.5 54 69 C G T 3 S+ 0 0 11 50,-0.5 10,-0.3 -39,-0.4 11,-0.3 0.618 87.9 145.2 61.0 12.1 125.9 149.3 100.2 55 70 C E < + 0 0 17 -3,-1.3 -1,-0.2 -40,-0.3 3,-0.1 -0.424 11.7 154.4 -79.1 159.4 124.5 150.9 97.1 56 71 C Y + 0 0 50 4,-0.3 87,-1.4 1,-0.2 2,-0.7 0.292 61.8 31.7-144.4 -77.7 126.8 151.8 94.1 57 72 C N B > -M 142 0D 14 85,-0.2 3,-1.5 3,-0.2 5,-0.3 -0.866 62.3-156.9 -98.6 115.4 125.3 152.0 90.6 58 73 C T T 3 S+ 0 0 62 83,-3.3 -1,-0.1 -2,-0.7 84,-0.1 0.795 89.6 61.5 -59.1 -33.2 121.7 153.1 90.7 59 74 C E T 3 S+ 0 0 149 82,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.643 108.2 47.6 -70.1 -15.3 120.8 151.6 87.4 60 75 C E S < S- 0 0 109 -3,-1.5 2,-1.2 2,-0.0 -4,-0.3 -0.975 85.9-112.6-134.2 147.7 121.6 148.1 88.7 61 76 C T - 0 0 119 -2,-0.3 -3,-0.1 -6,-0.1 -2,-0.0 -0.585 31.8-156.2 -78.1 92.2 120.9 146.0 91.8 62 77 C E > - 0 0 38 -2,-1.2 3,-1.9 -5,-0.3 -1,-0.0 -0.566 16.4-135.5 -70.8 128.7 124.1 145.6 93.7 63 78 C P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.563 102.2 65.5 -58.6 -11.4 124.1 142.5 95.9 64 79 C T T 3 S+ 0 0 34 -10,-0.3 -9,-0.2 2,-0.0 40,-0.1 0.694 73.8 118.6 -85.4 -22.3 125.6 144.6 98.7 65 80 C E < - 0 0 31 -3,-1.9 2,-0.3 -11,-0.3 -11,-0.2 -0.074 39.4-176.0 -49.1 138.1 122.6 146.9 99.0 66 81 C Q E -K 53 0C 25 -13,-2.0 -13,-1.4 2,-0.0 2,-0.2 -0.817 8.2-162.2-143.0 98.5 120.9 146.9 102.4 67 82 C R E +K 52 0C 137 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.474 12.1 174.6 -82.8 151.2 117.7 149.0 102.7 68 83 C R E -K 51 0C 40 -17,-1.5 -17,-0.8 -2,-0.2 2,-0.4 -0.928 26.2-120.3-146.3 169.6 116.3 150.1 106.0 69 84 C N E -K 50 0C 86 -2,-0.3 27,-1.9 -19,-0.2 2,-0.4 -0.948 23.0-123.8-120.6 136.9 113.4 152.3 107.1 70 85 C V E +L 95 0C 33 -21,-2.4 -21,-0.2 -2,-0.4 25,-0.2 -0.668 27.6 175.3 -78.4 128.5 113.8 155.4 109.3 71 86 C I E S+ 0 0 99 23,-2.4 2,-0.3 -2,-0.4 -1,-0.2 0.585 71.6 21.5-106.3 -18.4 111.6 155.2 112.4 72 87 C R E -L 94 0C 107 22,-0.7 22,-2.4 2,-0.0 2,-0.4 -0.987 57.9-165.5-151.2 140.1 112.9 158.4 114.0 73 88 C A E -L 93 0C 40 -2,-0.3 20,-0.2 20,-0.2 -3,-0.0 -0.931 10.1-173.2-130.4 103.9 114.6 161.5 112.6 74 89 C I E -L 92 0C 24 18,-2.4 18,-1.8 -2,-0.4 3,-0.1 -0.825 6.1-166.5-101.5 93.3 116.1 163.6 115.3 75 90 C P E -L 91 0C 45 0, 0.0 16,-0.3 0, 0.0 2,-0.1 -0.393 46.4 -73.5 -72.2 163.9 117.4 166.9 113.8 76 91 C H > - 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