==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-JAN-10 3LC5 . COMPND 2 MOLECULE: COAGULATION FACTOR IX; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.WANG,R.BECK . 289 2 7 6 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.6 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 . 80 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.7 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-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.8 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 . 0 0.0 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 2 0 1 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 . 3 4 1 7 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 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 V > 0 0 0 0, 0.0 3,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 124.6 -20.0 -7.6 13.4 2 17 A V B 3 +A 179 0A 17 177,-2.2 177,-2.4 1,-0.2 132,-0.1 -0.754 360.0 5.0 -87.6 128.6 -21.2 -11.0 12.0 3 18 A G T 3 S+ 0 0 30 130,-0.6 -1,-0.2 -2,-0.5 175,-0.1 0.787 99.7 141.1 69.7 29.8 -22.5 -13.4 14.7 4 19 A G < - 0 0 20 -3,-0.7 2,-0.3 129,-0.1 142,-0.2 0.044 47.1-119.5 -83.2-165.0 -22.2 -10.8 17.4 5 20 A E E -B 145 0B 92 140,-1.7 140,-1.7 138,-0.0 2,-0.3 -0.975 33.3 -93.3-133.7 150.7 -24.5 -10.0 20.4 6 21 A D E -B 144 0B 101 -2,-0.3 138,-0.2 138,-0.2 2,-0.1 -0.487 41.5-133.7 -59.9 124.0 -26.3 -6.8 21.3 7 22 A A - 0 0 3 136,-3.4 136,-0.1 -2,-0.3 -1,-0.1 -0.472 17.8-121.9 -69.3 149.8 -24.2 -4.7 23.7 8 23 A K > - 0 0 104 -2,-0.1 3,-2.3 1,-0.1 4,-0.4 -0.624 40.6 -86.0 -86.3 156.2 -26.0 -3.3 26.7 9 24 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 47,-0.1 -0.474 119.9 15.4 -63.0 131.4 -26.0 0.5 27.2 10 25 A G T 3 S+ 0 0 10 -2,-0.1 278,-0.3 94,-0.1 277,-0.3 0.371 93.2 114.8 86.4 -2.6 -22.7 1.3 29.0 11 26 A Q S < S+ 0 0 26 -3,-2.3 275,-0.1 1,-0.3 93,-0.0 0.823 90.8 18.9 -72.9 -32.5 -21.2 -2.1 28.2 12 27 A F S > S+ 0 0 16 -4,-0.4 3,-2.1 92,-0.1 -1,-0.3 -0.521 71.8 166.8-133.8 68.6 -18.4 -0.6 26.0 13 28 A P T 3 S+ 0 0 5 0, 0.0 93,-2.7 0, 0.0 41,-0.2 0.336 73.1 62.7 -73.3 6.7 -18.2 3.1 27.0 14 29 A W T 3 S+ 0 0 1 91,-0.2 16,-2.0 93,-0.1 94,-0.2 0.512 82.1 103.9 -97.6 -14.4 -14.9 3.6 25.1 15 30 A Q E < -J 29 0C 4 -3,-2.1 39,-0.6 14,-0.2 40,-0.4 -0.462 48.7-179.4 -69.0 136.3 -16.5 2.8 21.8 16 31 A V E -JK 28 53C 0 12,-1.9 12,-1.5 -2,-0.2 2,-0.3 -0.953 19.5-136.8-129.4 158.1 -17.3 5.6 19.4 17 32 A V E -JK 27 52C 2 35,-2.2 35,-2.4 -2,-0.3 2,-0.5 -0.841 17.1-137.6-108.0 150.4 -18.9 5.7 15.9 18 33 A L E -JK 26 51C 0 8,-2.4 7,-1.2 -2,-0.3 8,-0.8 -0.936 12.3-164.3-111.7 128.9 -17.5 7.8 13.1 19 34 A N E + K 0 50C 23 31,-3.4 31,-3.4 -2,-0.5 4,-0.2 -0.917 30.6 127.8-108.2 138.1 -19.7 9.9 10.7 20 35 A G S S- 0 0 25 2,-2.1 29,-0.1 -2,-0.4 28,-0.0 -0.293 80.6 -10.2-145.6-123.5 -18.4 11.2 7.4 21 36 A K S S+ 0 0 151 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.871 144.7 16.3 -53.4 -42.2 -19.7 11.0 3.8 22 38 A V S > S- 0 0 97 0, 0.0 -2,-2.1 0, 0.0 3,-0.7 -0.925 101.1 -95.9-125.1 156.6 -22.1 8.4 5.3 23 39 A D T 3 S+ 0 0 118 -2,-0.3 -4,-0.2 -4,-0.2 -2,-0.0 -0.475 101.1 7.2 -70.4 140.0 -23.0 7.9 9.0 24 40 A A T 3 S+ 0 0 18 -6,-0.4 -1,-0.2 -2,-0.2 -5,-0.2 0.861 71.4 149.6 62.3 44.2 -21.1 5.1 10.9 25 41 A F S < S+ 0 0 53 -7,-1.2 2,-0.3 -3,-0.7 158,-0.2 0.694 71.7 6.7 -77.7 -20.6 -18.5 4.2 8.1 26 42 A a E -J 18 0C 8 -8,-0.8 -8,-2.4 158,-0.1 160,-0.2 -0.946 69.1-127.2-152.8 169.4 -16.0 3.3 10.9 27 43 A G E -J 17 0C 2 158,-3.0 12,-0.5 -2,-0.3 2,-0.3 -0.577 20.4-176.0-113.6 179.7 -15.5 2.8 14.6 28 44 A G E -J 16 0C 0 -12,-1.5 -12,-1.9 -2,-0.2 2,-0.3 -0.961 19.7-126.1-162.6 174.2 -13.1 4.1 17.2 29 45 A S E -JL 15 37C 0 8,-2.6 8,-2.5 -2,-0.3 2,-0.4 -0.985 29.2-114.9-131.1 143.9 -12.0 3.9 20.9 30 46 A I E + L 0 36C 0 -16,-2.0 78,-2.9 -2,-0.3 6,-0.2 -0.674 27.9 176.4 -78.4 126.2 -11.5 6.8 23.4 31 47 A V S S- 0 0 19 4,-2.0 2,-0.3 1,-0.5 -1,-0.2 0.851 72.5 -32.7 -90.7 -51.4 -7.9 7.3 24.5 32 48 A N S S- 0 0 21 3,-1.5 -1,-0.5 75,-0.1 3,-0.3 -0.905 79.1 -73.4-151.8-176.2 -8.8 10.3 26.6 33 49 A E S S+ 0 0 72 -2,-0.3 66,-2.5 1,-0.2 64,-0.1 0.762 131.0 35.5 -53.7 -31.8 -11.4 13.3 26.5 34 50 A K S S+ 0 0 43 64,-0.2 61,-3.1 198,-0.2 2,-0.3 0.676 114.4 59.9 -97.0 -20.8 -9.5 15.0 23.7 35 51 A W E - M 0 94C 6 -3,-0.3 -4,-2.0 59,-0.2 -3,-1.5 -0.882 51.3-170.2-121.8 146.9 -8.3 12.0 21.6 36 52 A I E -LM 30 93C 0 57,-2.2 57,-3.2 -2,-0.3 2,-0.4 -0.995 14.2-147.9-126.6 131.8 -9.8 9.0 19.7 37 53 A V E +LM 29 92C 0 -8,-2.5 -8,-2.6 -2,-0.4 55,-0.2 -0.863 34.4 146.6 -98.8 134.4 -7.8 6.1 18.3 38 54 A T E - M 0 91C 0 53,-2.6 53,-2.1 -2,-0.4 2,-0.3 -0.688 51.7 -66.9-144.9-168.4 -9.2 4.6 15.1 39 55 A A > - 0 0 0 -12,-0.5 3,-0.9 51,-0.3 4,-0.3 -0.778 34.2-135.3 -97.2 143.9 -7.9 2.9 11.9 40 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.824 100.7 63.3 -68.6 -34.7 -5.9 5.0 9.4 41 57 A H G 3 S+ 0 0 52 1,-0.3 -1,-0.2 44,-0.0 163,-0.0 0.748 92.0 67.3 -64.0 -22.4 -7.7 3.6 6.3 42 58 A a G < S+ 0 0 9 -3,-0.9 2,-0.9 1,-0.1 -1,-0.3 0.686 83.1 90.3 -65.8 -20.7 -10.9 5.2 7.6 43 59 A V < + 0 0 35 -3,-1.8 2,-0.5 -4,-0.3 -1,-0.1 -0.725 53.3 172.6 -84.7 103.4 -9.2 8.6 7.0 44 60 A E > - 0 0 101 -2,-0.9 3,-1.3 3,-0.1 -3,-0.0 -0.958 35.7-116.0-105.8 127.7 -10.0 9.9 3.5 45 60AA T T 3 S+ 0 0 139 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 -0.147 96.7 32.1 -61.4 155.9 -8.8 13.4 2.9 46 61 A G T 3 S+ 0 0 80 1,-0.2 2,-0.7 0, 0.0 -1,-0.2 0.121 93.0 116.0 85.1 -20.6 -11.4 16.2 2.2 47 62 A V < - 0 0 26 -3,-1.3 2,-0.5 2,-0.0 -1,-0.2 -0.731 60.6-145.7 -90.6 114.7 -13.8 14.4 4.5 48 63 A K - 0 0 153 -2,-0.7 2,-0.5 -3,-0.1 23,-0.1 -0.702 23.8-156.8 -65.6 121.6 -14.9 16.2 7.6 49 64 A I - 0 0 5 -2,-0.5 21,-1.3 21,-0.3 2,-0.4 -0.931 5.2-155.8-109.2 132.9 -15.4 13.3 10.1 50 65 A T E -KN 19 69C 16 -31,-3.4 -31,-3.4 -2,-0.5 2,-0.4 -0.893 7.1-147.3-105.9 134.4 -17.7 13.7 13.1 51 66 A V E -KN 18 68C 0 17,-2.4 17,-3.2 -2,-0.4 2,-0.5 -0.857 9.8-166.7-101.9 137.5 -17.1 11.5 16.2 52 67 A V E -KN 17 67C 9 -35,-2.4 -35,-2.2 -2,-0.4 3,-0.3 -0.984 6.7-174.5-126.8 117.8 -20.1 10.4 18.3 53 68 A A E +KN 16 66C 0 13,-3.4 13,-2.1 -2,-0.5 -37,-0.1 -0.597 63.7 38.9-102.7 168.7 -19.5 8.9 21.8 54 69 A G S S+ 0 0 7 -39,-0.6 2,-0.3 50,-0.5 10,-0.3 0.836 80.8 150.9 60.3 35.4 -22.0 7.4 24.2 55 70 A E + 0 0 32 -40,-0.4 -1,-0.2 -3,-0.3 -45,-0.1 -0.781 16.1 150.0-101.2 141.3 -23.9 5.8 21.3 56 71 A H S S+ 0 0 35 -2,-0.3 87,-1.6 1,-0.3 2,-0.6 0.511 74.1 37.1-132.0 -54.7 -25.9 2.5 21.7 57 72 A N B > S-P 142 0D 17 85,-0.2 3,-1.4 3,-0.1 -1,-0.3 -0.943 71.5-152.8-106.8 116.7 -28.7 2.7 19.2 58 73 A I T 3 S+ 0 0 46 83,-3.3 84,-0.1 -2,-0.6 -1,-0.1 0.539 92.4 35.0 -71.0 -8.8 -27.5 4.4 16.0 59 74 A E T 3 S+ 0 0 142 82,-0.2 -1,-0.3 2,-0.0 2,-0.3 0.093 109.9 65.3-132.8 25.3 -31.0 5.7 15.0 60 75 A E S < S- 0 0 119 -3,-1.4 2,-0.6 81,-0.2 -4,-0.1 -0.819 82.1-107.1-131.1 176.1 -32.6 6.5 18.4 61 76 A T + 0 0 96 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.1 -0.893 32.5 168.7-113.3 105.3 -31.9 9.0 21.2 62 77 A E - 0 0 44 -2,-0.6 -1,-0.1 -5,-0.2 -7,-0.0 0.670 42.2-133.2 -80.5 -19.1 -30.3 7.6 24.4 63 78 A H S S+ 0 0 164 1,-0.0 -8,-0.1 -9,-0.0 -2,-0.1 0.781 90.7 91.8 59.2 29.1 -29.5 11.1 25.8 64 79 A T + 0 0 26 -10,-0.3 2,-0.2 -11,-0.1 -9,-0.1 0.259 60.0 115.4-120.3 2.7 -26.1 9.7 26.6 65 80 A E - 0 0 54 -13,-0.0 2,-0.4 40,-0.0 -11,-0.3 -0.500 42.9-170.2 -84.3 143.6 -24.5 10.8 23.3 66 81 A Q E -N 53 0C 25 -13,-2.1 -13,-3.4 -2,-0.2 2,-0.4 -0.976 8.3-162.6-132.5 118.7 -21.7 13.3 22.8 67 82 A K E +N 52 0C 139 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.820 13.5 173.1-106.3 137.0 -20.9 14.5 19.3 68 83 A R E -N 51 0C 38 -17,-3.2 -17,-2.4 -2,-0.4 2,-0.3 -0.942 27.8-118.9-141.2 159.4 -17.6 16.2 18.4 69 84 A N E -N 50 0C 63 -2,-0.3 27,-2.4 -19,-0.2 2,-0.8 -0.748 25.1-124.2 -98.9 148.9 -15.7 17.5 15.4 70 85 A V E +O 95 0C 26 -21,-1.3 -21,-0.3 -2,-0.3 25,-0.2 -0.831 31.8 171.0 -96.5 107.4 -12.3 16.2 14.4 71 86 A I E + 0 0 102 23,-1.6 2,-0.4 -2,-0.8 -1,-0.2 0.795 68.8 26.6 -85.2 -31.9 -9.9 19.2 14.1 72 87 A R E -O 94 0C 123 22,-1.1 22,-3.7 2,-0.0 2,-0.4 -1.000 62.8-166.4-138.0 136.4 -6.6 17.2 13.7 73 88 A I E -O 93 0C 54 -2,-0.4 20,-0.2 20,-0.2 -3,-0.0 -0.983 1.6-171.8-126.1 122.4 -6.0 13.7 12.3 74 89 A I E -O 92 0C 29 18,-3.2 18,-2.0 -2,-0.4 2,-0.2 -0.804 3.8-171.1-119.3 88.5 -2.7 11.9 12.8 75 90 A P E -O 91 0C 55 0, 0.0 16,-0.2 0, 0.0 14,-0.1 -0.515 47.1 -82.7 -71.1 148.5 -2.3 8.7 10.7 76 91 A H > - 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