==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAY-05 1ZTL . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.NAGAFUJI,L.JIN,M.RYNKIEWICZ,J.QUINN,F.BIBBINS,H.MEYERS, . 237 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 31.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.1 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 1 1 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 . 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 5 2 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 . 0 0 0 0 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 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 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.0 3.3 47.6 20.9 2 17 A V B 3 +A 182 0A 20 180,-3.8 180,-1.5 1,-0.2 134,-0.1 -0.756 360.0 4.3 -96.1 139.9 2.7 48.2 17.2 3 18 A G T 3 S+ 0 0 46 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.787 102.4 124.7 63.3 29.3 0.2 46.1 15.2 4 19 A G < - 0 0 22 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.447 50.8-128.3-110.1-175.6 -1.0 44.2 18.2 5 20 A T E -B 147 0B 85 142,-2.2 142,-2.3 -2,-0.1 2,-0.1 -0.854 37.0 -74.8-131.2 168.7 -4.3 43.5 20.0 6 21 A A E -B 146 0B 57 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.367 50.2-127.5 -63.2 133.8 -5.7 43.8 23.4 7 22 A S - 0 0 8 138,-3.0 2,-0.3 55,-0.1 138,-0.1 -0.430 18.8-112.0 -81.5 158.2 -4.5 41.1 25.8 8 23 A V > - 0 0 96 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.712 46.9 -92.5 -86.3 140.8 -6.9 38.8 27.8 9 24 A R T 3 S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.284 111.3 9.9 -55.4 132.1 -6.7 39.5 31.5 10 25 A G T 3 S+ 0 0 38 98,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.448 91.4 120.0 77.8 0.1 -4.2 37.1 33.2 11 26 A E S < S+ 0 0 65 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.804 84.5 30.5 -66.2 -30.2 -2.9 36.0 29.8 12 27 A W S > S+ 0 0 12 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.515 72.9 169.5-129.7 65.0 0.6 37.3 30.6 13 28 A P T 3 S+ 0 0 11 0, 0.0 97,-0.9 0, 0.0 47,-0.3 0.576 74.3 58.6 -52.3 -17.8 0.8 36.9 34.5 14 29 A W T 3 S+ 0 0 2 95,-0.2 19,-2.2 97,-0.1 2,-0.3 0.637 83.1 102.6 -90.4 -12.6 4.6 37.6 34.6 15 30 A Q E < -I 32 0C 4 -3,-2.3 45,-0.5 17,-0.2 46,-0.5 -0.519 49.6-179.8 -74.6 130.1 4.2 41.0 33.0 16 31 A V E -IJ 31 59C 0 15,-2.3 15,-1.3 -2,-0.3 2,-0.6 -0.903 25.3-131.0-127.5 157.0 4.4 44.0 35.3 17 32 A T E -IJ 30 58C 0 41,-2.1 41,-2.1 -2,-0.3 2,-0.6 -0.954 19.5-149.8-110.4 120.3 4.1 47.7 34.8 18 33 A L E -IJ 29 57C 3 11,-3.1 10,-3.4 -2,-0.6 11,-1.6 -0.821 18.3-168.7 -93.6 119.6 6.9 49.7 36.3 19 34 A H E -IJ 27 56C 8 37,-3.3 37,-1.9 -2,-0.6 2,-0.4 -0.692 15.2-150.7-107.1 161.1 5.9 53.2 37.4 20 35 A T E -IJ 26 55C 7 6,-2.1 6,-2.1 -2,-0.2 35,-0.2 -0.958 5.5-154.8-124.5 142.8 7.8 56.3 38.5 21 36 A T + 0 0 44 33,-1.9 4,-0.2 -2,-0.4 34,-0.1 0.491 51.3 128.5 -97.0 -4.2 6.1 58.8 40.9 22 37 A S S S- 0 0 63 32,-0.3 2,-0.2 4,-0.1 4,-0.1 -0.895 85.7 -10.3-111.8 131.5 8.3 61.7 39.8 23 37AA P S S- 0 0 112 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.842 144.9 -21.9 -72.0 -39.7 7.2 64.3 39.0 24 37BA T S S- 0 0 103 -2,-0.2 -4,-0.1 -4,-0.1 -2,-0.1 -0.873 89.5 -75.4-124.5 160.1 3.7 62.7 39.0 25 37CA Q + 0 0 71 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.323 62.9 147.9 -64.4 132.6 2.9 59.0 38.7 26 37DA R E -I 20 0C 128 -6,-2.1 -6,-2.1 -2,-0.1 2,-0.2 -0.989 52.1 -88.7-158.1 155.7 3.3 57.4 35.2 27 38 A H E +I 19 0C 11 -2,-0.3 -8,-0.3 -8,-0.2 114,-0.1 -0.481 41.9 172.0 -66.8 138.1 4.1 54.2 33.5 28 39 A L E - 0 0 36 -10,-3.4 2,-0.3 1,-0.4 -9,-0.2 0.776 53.6 -20.7-113.0 -54.2 7.9 54.0 32.9 29 40 A a E -I 18 0C 5 -11,-1.6 -11,-3.1 158,-0.1 -1,-0.4 -0.900 57.8-107.4-150.5 174.8 8.7 50.5 31.6 30 41 A G E +I 17 0C 1 158,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.567 35.7 177.4-102.2 171.2 7.6 46.9 31.5 31 42 A G E -I 16 0C 0 -15,-1.3 -15,-2.3 -2,-0.2 2,-0.4 -0.982 22.9-120.1-165.9 169.5 9.1 44.0 33.4 32 43 A S E -IK 15 40C 1 8,-2.4 8,-3.2 -2,-0.3 2,-0.4 -0.980 18.2-131.0-128.2 132.1 8.9 40.3 34.2 33 44 A I E + K 0 39C 0 -19,-2.2 79,-2.5 -2,-0.4 6,-0.2 -0.623 37.0 157.8 -74.3 125.8 8.4 38.4 37.5 34 45 A I E + 0 0 30 4,-2.6 2,-0.3 -2,-0.4 -1,-0.2 0.434 64.5 16.8-127.5 -6.3 11.0 35.7 37.7 35 46 A G E > S- K 0 38C 17 3,-1.3 3,-1.4 75,-0.1 -1,-0.4 -0.972 87.8 -93.7-159.3 162.2 11.1 35.2 41.4 36 47 A N T 3 S+ 0 0 79 -2,-0.3 67,-3.3 1,-0.3 65,-0.1 0.702 128.7 18.7 -55.5 -18.9 8.9 35.9 44.5 37 48 A Q T 3 S+ 0 0 51 65,-0.2 62,-1.9 1,-0.0 2,-0.4 0.132 111.5 92.4-138.2 18.5 10.9 39.1 45.0 38 51 A W E < -KL 35 98C 33 -3,-1.4 -4,-2.6 60,-0.2 -3,-1.3 -0.959 43.3-173.8-131.5 129.3 12.5 39.7 41.6 39 52 A I E -KL 33 97C 3 58,-2.1 58,-2.4 -2,-0.4 2,-0.5 -0.931 15.6-150.4-112.2 133.0 11.6 41.6 38.5 40 53 A L E +KL 32 96C 1 -8,-3.2 -8,-2.4 -2,-0.4 2,-0.2 -0.909 36.4 135.7-104.9 130.9 13.7 41.3 35.4 41 54 A T E - L 0 95C 0 54,-2.5 54,-2.1 -2,-0.5 2,-0.3 -0.771 51.9 -59.3-151.9-164.7 13.8 44.4 33.2 42 55 A A - 0 0 0 -12,-0.4 3,-0.5 52,-0.2 52,-0.2 -0.667 27.6-147.0 -94.2 146.9 15.9 46.7 31.1 43 56 A A S > S+ 0 0 3 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.877 97.7 62.7 -77.2 -39.1 18.8 48.8 32.5 44 57 A H G > S+ 0 0 44 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.517 87.2 79.0 -65.7 -1.9 18.3 51.7 30.2 45 58 A a G 3 S+ 0 0 6 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.559 86.2 58.6 -82.7 -7.0 14.9 52.0 31.9 46 59 A F G X + 0 0 19 -3,-2.2 3,-1.6 3,-0.0 2,-0.8 -0.036 67.9 142.1-113.3 31.6 16.5 53.7 34.9 47 59AA Y T < S+ 0 0 217 -3,-0.7 3,-0.1 1,-0.3 -3,-0.0 -0.626 79.2 12.0 -76.6 112.2 18.1 56.6 33.1 48 59BA G T 3 S+ 0 0 68 -2,-0.8 2,-0.8 1,-0.2 -1,-0.3 0.478 94.3 130.4 98.9 5.8 17.7 59.6 35.5 49 59CA V < + 0 0 34 -3,-1.6 -1,-0.2 1,-0.2 -3,-0.0 -0.816 24.8 169.6 -98.0 107.1 16.7 57.4 38.4 50 60 A E + 0 0 193 -2,-0.8 -1,-0.2 1,-0.2 3,-0.0 0.701 67.6 30.4 -87.7 -20.0 18.8 58.3 41.5 51 61 A S > - 0 0 34 1,-0.1 3,-1.2 27,-0.0 -1,-0.2 -0.995 59.8-141.9-146.3 141.2 16.7 56.3 43.9 52 62 A P G > S+ 0 0 34 0, 0.0 3,-2.1 0, 0.0 24,-0.5 0.688 92.4 86.8 -68.8 -14.3 14.5 53.1 43.9 53 63 A K G 3 S+ 0 0 179 1,-0.3 23,-0.0 22,-0.1 24,-0.0 0.757 84.2 52.0 -56.8 -28.9 12.2 55.1 46.3 54 64 A I G < S+ 0 0 47 -3,-1.2 -33,-1.9 -34,-0.1 -32,-0.3 0.393 93.2 98.7 -90.1 3.4 10.3 56.7 43.4 55 65 A L E < -J 20 0C 3 -3,-2.1 21,-0.6 -35,-0.2 2,-0.3 -0.653 47.9-176.5 -93.6 150.5 9.7 53.3 41.7 56 66 A R E -JM 19 75C 65 -37,-1.9 -37,-3.3 -2,-0.3 2,-0.5 -0.981 10.8-154.5-144.6 128.4 6.5 51.3 42.0 57 67 A V E -JM 18 74C 1 17,-2.6 17,-2.8 -2,-0.3 2,-0.5 -0.922 7.9-166.3-109.4 125.0 5.8 47.8 40.6 58 68 A Y E -J 17 0C 2 -41,-2.1 -41,-2.1 -2,-0.5 3,-0.3 -0.946 6.3-171.5-112.9 129.1 2.3 46.7 39.7 59 69 A S E +J 16 0C 18 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.755 64.1 31.1-113.8 160.9 1.5 43.0 39.0 60 70 A G S S+ 0 0 21 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.851 83.7 148.4 62.1 34.3 -1.7 41.4 37.7 61 71 A I + 0 0 19 -46,-0.5 -1,-0.2 -3,-0.3 3,-0.1 -0.843 24.2 163.0-105.1 138.8 -2.6 44.5 35.7 62 72 A L S S+ 0 0 21 -2,-0.4 83,-1.9 1,-0.4 2,-0.4 0.690 74.2 32.5-111.6 -55.8 -4.4 44.5 32.4 63 73 A N B > -O 144 0D 32 81,-0.2 3,-2.3 1,-0.1 -1,-0.4 -0.891 67.8-140.2-110.1 133.3 -5.5 48.1 32.2 64 74 A Q G > S+ 0 0 29 79,-2.4 3,-2.8 -2,-0.4 -1,-0.1 0.840 101.4 74.8 -54.8 -31.0 -3.6 51.1 33.5 65 75 A A G 3 S+ 0 0 78 1,-0.3 -1,-0.3 78,-0.2 79,-0.1 0.799 83.0 67.0 -52.8 -28.4 -7.0 52.4 34.5 66 76 A E G < S+ 0 0 59 -3,-2.3 2,-0.8 1,-0.1 -1,-0.3 0.752 84.0 88.9 -64.1 -23.2 -6.9 49.8 37.3 67 77 A I < + 0 0 26 -3,-2.8 2,-0.2 -4,-0.3 -1,-0.1 -0.689 53.6 144.2 -85.5 109.9 -4.0 51.8 38.9 68 78 A A > - 0 0 49 -2,-0.8 3,-1.7 4,-0.1 -2,-0.0 -0.701 66.2 -83.7-130.1-178.0 -5.2 54.5 41.3 69 79 A E T 3 S+ 0 0 194 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.807 127.8 50.2 -61.6 -29.0 -3.9 56.1 44.5 70 80 A D T 3 S+ 0 0 146 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.232 84.6 115.2 -94.3 14.1 -5.5 53.3 46.5 71 81 A T < - 0 0 32 -3,-1.7 -4,-0.1 1,-0.1 -5,-0.0 -0.725 68.3-120.8 -89.0 129.5 -4.0 50.5 44.4 72 81AA S + 0 0 107 -2,-0.5 2,-0.3 1,-0.0 -4,-0.1 -0.283 39.8 170.2 -64.6 153.1 -1.6 48.1 46.2 73 82 A F - 0 0 79 -15,-0.1 2,-0.5 -17,-0.0 -15,-0.2 -0.960 34.8-102.1-156.6 169.3 1.9 47.9 44.7 74 83 A F E -M 57 0C 28 -17,-2.8 -17,-2.6 -2,-0.3 2,-0.2 -0.874 30.7-140.0-104.3 129.4 5.4 46.6 45.3 75 84 A G E -M 56 0C 9 -2,-0.5 25,-3.0 -19,-0.2 2,-0.6 -0.536 19.8-120.2 -82.2 153.2 8.1 48.9 46.5 76 85 A V E -N 99 0C 3 -21,-0.6 23,-0.3 -24,-0.5 -21,-0.2 -0.864 25.5-178.0-100.4 120.6 11.6 48.5 45.1 77 86 A Q E S+ 0 0 91 21,-3.0 2,-0.3 -2,-0.6 22,-0.2 0.830 70.5 3.3 -82.5 -35.7 14.3 47.8 47.7 78 87 A E E -N 98 0C 85 20,-1.6 20,-2.9 -26,-0.1 2,-0.6 -0.980 55.5-144.2-157.9 141.8 17.2 47.8 45.2 79 88 A I E -N 97 0C 39 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.923 18.6-165.2-106.2 118.8 18.0 48.4 41.6 80 89 A I E -N 96 0C 17 16,-3.5 16,-2.8 -2,-0.6 2,-0.4 -0.887 6.1-174.3-111.3 107.2 20.7 46.1 40.2 81 90 A I E -N 95 0C 60 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.801 36.9-101.3 -99.1 137.6 22.2 47.1 36.9 82 91 A H > - 0 0 14 12,-1.7 3,-1.7 -2,-0.4 12,-0.1 -0.331 29.5-130.8 -55.2 132.0 24.7 44.9 35.0 83 92 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.684 104.8 53.3 -62.7 -17.9 28.1 46.4 35.7 84 93 A Q T 3 S+ 0 0 102 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.469 82.0 116.2 -96.4 -2.1 29.0 46.2 32.0 85 94 A Y < + 0 0 56 -3,-1.7 7,-0.1 7,-0.2 3,-0.1 -0.451 19.7 149.4 -69.4 136.9 25.9 48.2 30.8 86 95 A K - 0 0 173 5,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.497 69.9 -12.3-130.8 -45.1 26.6 51.5 29.2 87 96 A M >> - 0 0 94 4,-0.4 3,-2.3 1,-0.1 4,-0.7 -0.962 62.0-108.3-165.3 146.8 23.6 51.8 26.8 88 97 A A G >4 S+ 0 0 15 -2,-0.3 3,-1.9 1,-0.3 5,-0.3 0.857 114.9 52.6 -36.2 -61.2 20.8 49.8 25.2 89 98 A E G 34 S+ 0 0 93 1,-0.3 77,-0.3 118,-0.1 -1,-0.3 0.643 107.0 53.8 -57.4 -19.6 22.4 49.7 21.7 90 99 A S G <4 S- 0 0 75 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.543 111.1-116.2 -93.8 -8.5 25.7 48.3 23.1 91 100 A G S << S+ 0 0 4 -3,-1.9 -5,-0.6 -4,-0.7 -4,-0.4 -0.499 84.6 92.5 105.0-176.7 24.2 45.4 24.9 92 101 A Y + 0 0 55 1,-0.2 2,-2.2 78,-0.2 -10,-0.3 0.731 47.8 157.0 56.4 25.5 24.0 44.3 28.6 93 102 A D + 0 0 1 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.540 30.5 116.2 -82.3 76.3 20.7 46.1 28.8 94 103 A I + 0 0 0 -2,-2.2 -12,-1.7 -52,-0.2 2,-0.3 -0.997 35.5 172.1-145.7 142.9 19.5 44.0 31.8 95 104 A A E -LN 41 81C 0 -54,-2.1 -54,-2.5 -2,-0.3 2,-0.4 -0.997 21.6-137.8-152.2 153.0 18.6 44.8 35.3 96 105 A L E -LN 40 80C 0 -16,-2.8 -16,-3.5 -2,-0.3 2,-0.5 -0.906 9.6-156.5-113.3 138.4 17.1 43.2 38.4 97 106 A L E -LN 39 79C 0 -58,-2.4 -58,-2.1 -2,-0.4 2,-0.8 -0.972 7.3-154.9-114.8 118.7 14.6 44.9 40.8 98 107 A K E -LN 38 78C 50 -20,-2.9 -21,-3.0 -2,-0.5 -20,-1.6 -0.854 19.4-140.0 -94.7 114.1 14.6 43.5 44.3 99 108 A L E - 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