==== 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 1ZTK . 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) . 11719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 22 9.3 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 . 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 3 2 4 3 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 . 0 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 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.6 3.2 47.6 20.9 2 17 A V B 3 +A 182 0A 20 180,-3.5 180,-1.5 1,-0.2 134,-0.1 -0.769 360.0 3.1 -98.7 140.0 2.6 48.2 17.2 3 18 A G T 3 S+ 0 0 44 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.753 102.4 123.7 63.6 26.7 0.1 46.2 15.2 4 19 A G < - 0 0 21 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.333 51.6-127.1-106.0-170.0 -1.0 44.2 18.2 5 20 A T E -B 147 0B 85 142,-2.2 142,-2.3 -2,-0.1 -3,-0.0 -0.929 36.8 -75.1-137.8 162.5 -4.3 43.5 20.0 6 21 A A E -B 146 0B 56 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.255 50.2-126.3 -56.8 136.1 -5.7 43.7 23.5 7 22 A S - 0 0 9 138,-2.7 2,-0.3 55,-0.2 -1,-0.1 -0.432 19.4-111.1 -82.9 158.7 -4.6 41.0 25.8 8 23 A V > - 0 0 95 -2,-0.1 3,-2.2 1,-0.1 4,-0.4 -0.711 47.7 -92.9 -85.5 142.5 -6.9 38.8 27.8 9 24 A R T 3 S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.317 111.4 9.4 -57.6 133.1 -6.7 39.5 31.5 10 25 A G T 3 S+ 0 0 37 98,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.424 91.6 120.8 77.7 -2.2 -4.2 37.2 33.2 11 26 A E S < S+ 0 0 64 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.825 84.1 30.7 -62.5 -33.4 -2.9 36.0 29.9 12 27 A W S > S+ 0 0 13 -4,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.593 72.8 169.8-127.0 68.8 0.6 37.2 30.7 13 28 A P T 3 S+ 0 0 11 0, 0.0 97,-0.8 0, 0.0 47,-0.3 0.593 74.0 59.2 -56.1 -16.9 0.8 36.8 34.5 14 29 A W T 3 S+ 0 0 2 95,-0.2 19,-2.2 97,-0.1 2,-0.2 0.652 82.8 102.8 -89.6 -14.2 4.6 37.5 34.6 15 30 A Q E < -J 32 0C 4 -3,-1.9 45,-0.6 17,-0.2 46,-0.4 -0.468 49.5-179.4 -71.6 132.8 4.2 41.0 33.0 16 31 A V E -JK 31 59C 1 15,-2.4 15,-1.3 -2,-0.2 2,-0.5 -0.926 24.7-132.1-129.8 156.1 4.4 43.9 35.3 17 32 A T E -JK 30 58C 0 41,-2.0 41,-2.2 -2,-0.3 2,-0.6 -0.951 19.5-149.7-109.5 122.9 4.2 47.7 34.8 18 33 A L E -JK 29 57C 3 11,-3.3 10,-3.4 -2,-0.5 11,-1.5 -0.839 17.6-168.4 -95.6 120.6 6.9 49.7 36.4 19 34 A H E -JK 27 56C 9 37,-3.4 37,-2.0 -2,-0.6 2,-0.4 -0.745 14.8-150.9-108.8 159.0 5.9 53.2 37.4 20 35 A T E -JK 26 55C 7 6,-2.2 6,-2.0 -2,-0.3 35,-0.2 -0.936 5.7-154.4-120.7 145.6 7.9 56.2 38.6 21 36 A T + 0 0 45 33,-1.8 4,-0.3 -2,-0.4 34,-0.1 0.423 51.7 127.5-100.3 -0.7 6.3 58.7 41.0 22 37 A S S S- 0 0 63 32,-0.3 2,-0.1 2,-0.1 4,-0.1 -0.924 86.0 -9.4-114.5 131.0 8.4 61.7 39.9 23 37AA P S S- 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.888 145.1 -23.0 -73.1 -36.5 7.3 64.2 39.0 24 37BA T S S- 0 0 104 -2,-0.1 -4,-0.1 -4,-0.1 -2,-0.1 -0.930 89.2 -76.8-130.0 156.3 3.8 62.6 39.0 25 37CA Q + 0 0 70 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.264 62.4 148.4 -61.4 135.1 3.1 58.9 38.7 26 37DA R E -J 20 0C 133 -6,-2.0 -6,-2.2 -4,-0.1 2,-0.2 -0.981 52.2 -87.4-159.2 156.8 3.3 57.4 35.2 27 38 A H E +J 19 0C 12 -2,-0.3 -8,-0.3 -8,-0.2 114,-0.1 -0.503 42.5 171.6 -68.2 137.9 4.2 54.1 33.5 28 39 A L E - 0 0 37 -10,-3.4 2,-0.3 1,-0.4 -9,-0.2 0.752 54.4 -18.4-114.1 -51.2 7.9 53.9 32.9 29 40 A a E -J 18 0C 5 -11,-1.5 -11,-3.3 158,-0.1 -1,-0.4 -0.949 58.0-109.1-153.9 170.2 8.8 50.4 31.7 30 41 A G E -J 17 0C 1 158,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.500 35.4-179.9 -97.3 172.6 7.6 46.8 31.5 31 42 A G E -J 16 0C 0 -15,-1.3 -15,-2.4 -2,-0.2 2,-0.4 -0.978 21.6-123.4-165.8 165.6 9.1 44.0 33.4 32 43 A S E -JL 15 40C 2 8,-2.5 8,-3.2 -2,-0.3 2,-0.4 -0.977 18.3-130.3-125.2 134.0 8.9 40.2 34.1 33 44 A I E + L 0 39C 0 -19,-2.2 79,-2.5 -2,-0.4 6,-0.2 -0.653 36.7 158.0 -77.6 124.8 8.4 38.4 37.4 34 45 A I E + 0 0 32 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.357 65.0 18.5-126.6 -0.4 11.0 35.6 37.7 35 46 A G E > S- L 0 38C 13 3,-1.2 3,-1.2 75,-0.1 -1,-0.3 -0.980 86.0 -96.2-163.6 161.8 11.0 35.2 41.4 36 47 A N T 3 S+ 0 0 73 -2,-0.3 67,-3.5 1,-0.3 65,-0.0 0.705 128.8 19.1 -58.5 -17.7 8.9 35.9 44.5 37 48 A Q T 3 S+ 0 0 43 65,-0.2 62,-1.9 1,-0.0 2,-0.4 0.156 112.2 91.2-138.1 17.1 11.0 39.0 45.0 38 51 A W E < -LM 35 98C 28 -3,-1.2 -4,-2.5 60,-0.2 -3,-1.2 -0.960 43.0-174.4-131.1 130.9 12.6 39.6 41.6 39 52 A I E -LM 33 97C 2 58,-2.0 58,-2.4 -2,-0.4 2,-0.5 -0.941 15.3-151.7-113.7 132.1 11.6 41.5 38.5 40 53 A L E +LM 32 96C 1 -8,-3.2 -8,-2.5 -2,-0.4 2,-0.2 -0.918 36.0 137.5-105.6 129.4 13.8 41.2 35.3 41 54 A T E - M 0 95C 0 54,-2.4 54,-2.6 -2,-0.5 2,-0.2 -0.783 52.2 -59.4-150.6-168.7 13.7 44.3 33.1 42 55 A A > - 0 0 0 -12,-0.4 3,-0.6 52,-0.2 52,-0.2 -0.606 28.2-147.0 -88.1 145.4 15.9 46.6 31.0 43 56 A A G > S+ 0 0 4 -2,-0.2 3,-2.0 1,-0.2 -1,-0.1 0.846 98.1 63.3 -77.8 -36.5 18.8 48.6 32.4 44 57 A H G > S+ 0 0 42 1,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.445 86.6 79.2 -68.9 2.8 18.3 51.6 30.1 45 58 A a G < S+ 0 0 6 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.531 85.6 58.6 -86.7 -7.3 14.9 51.9 31.9 46 59 A F G X + 0 0 19 -3,-2.0 3,-1.6 3,-0.0 2,-0.8 -0.063 67.7 142.6-112.2 30.7 16.6 53.6 34.8 47 59AA Y T < S+ 0 0 215 -3,-0.6 3,-0.1 1,-0.3 -3,-0.0 -0.635 79.6 11.5 -75.3 109.9 18.1 56.5 33.0 48 59BA G T 3 S+ 0 0 68 -2,-0.8 2,-0.8 1,-0.3 -1,-0.3 0.474 94.6 130.7 100.7 4.5 17.8 59.5 35.4 49 59CA V < + 0 0 33 -3,-1.6 -1,-0.3 1,-0.2 -3,-0.0 -0.816 24.5 169.4 -95.8 107.1 16.8 57.4 38.3 50 60 A E + 0 0 196 -2,-0.8 -1,-0.2 1,-0.2 3,-0.0 0.732 67.4 30.8 -86.9 -23.8 18.8 58.2 41.4 51 61 A S > - 0 0 33 1,-0.1 3,-1.0 27,-0.0 -1,-0.2 -0.987 59.7-142.5-140.7 145.2 16.7 56.2 43.9 52 62 A P G > S+ 0 0 34 0, 0.0 3,-2.2 0, 0.0 24,-0.5 0.676 92.0 87.1 -74.2 -12.8 14.6 53.1 43.9 53 63 A K G 3 S+ 0 0 178 1,-0.3 24,-0.0 22,-0.1 23,-0.0 0.745 83.8 52.8 -57.4 -27.5 12.3 55.0 46.2 54 64 A I G < S+ 0 0 46 -3,-1.0 -33,-1.8 -34,-0.1 -32,-0.3 0.338 92.6 97.9 -92.0 7.3 10.4 56.6 43.4 55 65 A L E < -K 20 0C 3 -3,-2.2 21,-0.6 -35,-0.2 2,-0.4 -0.721 47.4-177.0 -98.8 149.5 9.7 53.2 41.7 56 66 A R E -KN 19 75C 63 -37,-2.0 -37,-3.4 -2,-0.3 2,-0.5 -0.991 10.9-154.9-142.5 131.4 6.5 51.2 42.0 57 67 A V E -KN 18 74C 1 17,-2.4 17,-3.0 -2,-0.4 2,-0.5 -0.948 7.8-166.1-112.3 126.1 5.9 47.8 40.5 58 68 A Y E -K 17 0C 1 -41,-2.2 -41,-2.0 -2,-0.5 3,-0.3 -0.951 6.0-170.4-113.4 129.1 2.3 46.6 39.8 59 69 A S E +K 16 0C 18 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.737 64.2 31.7-112.6 162.8 1.5 43.0 39.0 60 70 A G S S+ 0 0 21 -45,-0.6 2,-0.4 48,-0.4 -1,-0.2 0.866 83.3 146.9 60.7 36.8 -1.7 41.4 37.8 61 71 A I + 0 0 20 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.856 24.7 164.0-107.3 140.8 -2.6 44.5 35.8 62 72 A L S S+ 0 0 19 1,-0.4 83,-2.7 -2,-0.4 2,-0.4 0.676 74.4 32.5-114.2 -50.6 -4.4 44.5 32.4 63 73 A N B > -P 144 0D 33 81,-0.2 3,-2.3 1,-0.1 -1,-0.4 -0.917 68.9-138.9-113.3 135.4 -5.5 48.1 32.2 64 74 A Q G > S+ 0 0 29 79,-2.3 3,-2.7 -2,-0.4 -1,-0.1 0.825 101.3 75.3 -59.0 -27.3 -3.5 51.1 33.5 65 75 A A G 3 S+ 0 0 80 1,-0.3 -1,-0.3 78,-0.2 79,-0.1 0.750 82.4 67.8 -57.0 -22.5 -6.9 52.4 34.6 66 76 A E G < S+ 0 0 56 -3,-2.3 2,-0.7 1,-0.1 -1,-0.3 0.705 83.1 89.6 -69.7 -18.8 -6.8 49.8 37.4 67 77 A I < + 0 0 26 -3,-2.7 2,-0.2 -4,-0.3 -1,-0.1 -0.721 53.3 146.7 -87.7 112.8 -3.9 51.8 38.9 68 78 A A > - 0 0 48 -2,-0.7 3,-1.8 4,-0.1 -2,-0.0 -0.735 65.2 -87.0-131.2-180.0 -5.1 54.4 41.4 69 79 A E T 3 S+ 0 0 194 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.809 128.1 50.7 -63.0 -27.0 -3.7 56.0 44.6 70 80 A D T 3 S+ 0 0 145 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.240 85.5 112.7 -95.1 13.8 -5.4 53.2 46.6 71 81 A T < - 0 0 31 -3,-1.8 -4,-0.1 1,-0.1 -5,-0.0 -0.746 69.9-118.8 -90.5 130.7 -4.0 50.4 44.5 72 81AA S + 0 0 108 -2,-0.4 2,-0.3 1,-0.0 -4,-0.1 -0.267 39.4 171.4 -65.0 152.3 -1.5 48.0 46.1 73 82 A F - 0 0 80 -15,-0.1 2,-0.5 -17,-0.0 -15,-0.2 -0.965 33.9-105.9-155.0 166.5 2.0 47.9 44.7 74 83 A F E -N 57 0C 30 -17,-3.0 -17,-2.4 -2,-0.3 2,-0.1 -0.860 30.8-138.5-103.0 130.7 5.5 46.5 45.3 75 84 A G E -N 56 0C 10 -2,-0.5 25,-2.3 -19,-0.2 2,-0.6 -0.454 19.3-119.3 -80.1 161.7 8.2 48.8 46.5 76 85 A V E -O 99 0C 3 -21,-0.6 23,-0.3 -24,-0.5 -21,-0.2 -0.911 26.3-179.0-107.8 116.5 11.7 48.5 45.1 77 86 A Q E S+ 0 0 92 21,-2.7 2,-0.3 -2,-0.6 22,-0.2 0.844 70.8 5.3 -80.2 -36.3 14.4 47.7 47.6 78 87 A E E -O 98 0C 85 20,-1.5 20,-2.8 -26,-0.1 2,-0.5 -0.992 56.0-145.9-154.8 143.7 17.3 47.6 45.1 79 88 A I E -O 97 0C 40 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.942 18.8-165.3-108.9 121.1 18.1 48.3 41.5 80 89 A I E -O 96 0C 19 16,-3.2 16,-2.9 -2,-0.5 2,-0.4 -0.921 5.5-174.4-115.0 111.7 20.7 46.0 40.0 81 90 A I E -O 95 0C 59 -2,-0.6 14,-0.2 14,-0.2 2,-0.1 -0.845 36.9-102.5-103.6 137.0 22.2 47.0 36.7 82 91 A H > - 0 0 14 12,-1.7 3,-2.1 -2,-0.4 12,-0.1 -0.363 29.8-131.2 -57.0 128.5 24.7 44.8 34.9 83 92 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.692 104.5 54.9 -59.2 -19.3 28.2 46.3 35.5 84 93 A Q T 3 S+ 0 0 104 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.492 81.9 115.2 -93.3 -2.6 29.0 46.1 31.8 85 94 A Y < + 0 0 56 -3,-2.1 7,-0.1 7,-0.2 3,-0.1 -0.442 20.1 149.2 -70.4 137.3 25.9 48.1 30.7 86 95 A K S S- 0 0 172 5,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.494 70.2 -11.9-131.2 -43.4 26.5 51.4 29.0 87 96 A M >> - 0 0 94 4,-0.5 3,-2.4 1,-0.1 4,-0.7 -0.964 62.3-107.9-165.2 147.5 23.6 51.7 26.7 88 97 A A G >4 S+ 0 0 15 -2,-0.3 3,-1.7 1,-0.3 5,-0.3 0.864 115.4 52.7 -38.1 -57.6 20.8 49.7 25.1 89 98 A E G 34 S+ 0 0 91 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.608 106.3 54.1 -61.9 -14.2 22.4 49.6 21.6 90 99 A S G <4 S- 0 0 74 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.536 111.5-115.9 -97.3 -7.4 25.7 48.2 23.0 91 100 A G S << S+ 0 0 5 -3,-1.7 -5,-0.6 -4,-0.7 -4,-0.5 -0.457 84.7 92.8 102.4-178.2 24.2 45.2 24.8 92 101 A Y + 0 0 53 1,-0.2 2,-2.3 78,-0.2 -10,-0.3 0.741 46.7 157.1 59.8 24.9 24.0 44.2 28.5 93 102 A D + 0 0 1 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.546 30.5 117.1 -81.3 78.3 20.6 45.9 28.7 94 103 A I + 0 0 0 -2,-2.3 -12,-1.7 -52,-0.2 2,-0.3 -0.989 34.6 171.0-148.5 137.4 19.5 43.9 31.7 95 104 A A E -MO 41 81C 0 -54,-2.6 -54,-2.4 -2,-0.3 2,-0.4 -0.989 21.2-139.7-146.8 153.6 18.6 44.8 35.2 96 105 A L E -MO 40 80C 0 -16,-2.9 -16,-3.2 -2,-0.3 2,-0.5 -0.925 8.7-155.2-115.9 139.1 17.1 43.2 38.3 97 106 A L E -MO 39 79C 1 -58,-2.4 -58,-2.0 -2,-0.4 2,-0.8 -0.968 7.2-154.1-113.2 120.3 14.7 44.8 40.7 98 107 A K E -MO 38 78C 48 -20,-2.8 -21,-2.7 -2,-0.5 -20,-1.5 -0.860 20.0-139.5 -96.1 111.2 14.6 43.4 44.2 99 108 A L E - 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