==== 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 1ZTJ . 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) . 11684.0 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 . 0 0.0 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 . 27 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 13.1 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 5 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 . 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 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 137.8 13.2 63.4 81.0 2 17 A V B +A 182 0A 21 180,-3.0 180,-1.5 1,-0.2 134,-0.1 -0.840 360.0 4.3-105.9 136.7 12.6 62.7 77.3 3 18 A G S S+ 0 0 44 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.757 102.7 126.2 67.3 24.3 14.7 60.3 75.2 4 19 A G - 0 0 19 -3,-0.4 2,-0.3 144,-0.1 144,-0.2 -0.375 50.7-129.2-104.3-175.1 16.6 59.3 78.4 5 20 A T E -B 147 0B 81 142,-2.5 142,-2.1 -2,-0.1 2,-0.0 -0.896 35.3 -75.4-134.5 164.7 17.4 56.0 80.1 6 21 A A E -B 146 0B 60 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.310 50.2-127.9 -59.3 135.3 17.1 54.5 83.6 7 22 A S - 0 0 10 138,-2.6 2,-0.3 55,-0.1 -1,-0.1 -0.424 19.7-111.0 -82.0 158.6 19.8 55.7 85.9 8 23 A V > - 0 0 94 -2,-0.1 3,-2.4 1,-0.1 4,-0.3 -0.729 45.4 -93.4 -88.3 142.0 22.1 53.4 87.9 9 24 A R T 3 S+ 0 0 152 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.297 112.1 10.0 -55.4 129.5 21.4 53.4 91.7 10 25 A G T 3 S+ 0 0 40 98,-0.2 -1,-0.3 2,-0.1 52,-0.0 0.474 92.2 120.5 79.6 1.9 23.7 55.9 93.4 11 26 A E S < S+ 0 0 66 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.758 83.1 30.2 -69.3 -28.0 24.8 57.4 90.0 12 27 A W S > S+ 0 0 13 -4,-0.3 3,-2.0 96,-0.1 -1,-0.3 -0.568 72.0 170.2-132.2 67.9 23.6 60.9 90.8 13 28 A P T 3 S+ 0 0 10 0, 0.0 97,-0.8 0, 0.0 47,-0.3 0.581 75.0 57.5 -56.6 -15.3 24.0 61.0 94.7 14 29 A W T 3 S+ 0 0 3 95,-0.2 19,-2.6 97,-0.1 2,-0.3 0.611 83.4 103.1 -92.1 -13.8 23.3 64.8 94.8 15 30 A Q E < -J 32 0C 4 -3,-2.0 46,-0.4 17,-0.2 45,-0.4 -0.532 50.1-179.3 -71.8 126.2 19.9 64.4 93.1 16 31 A V E -J 31 0C 2 15,-2.4 15,-1.1 -2,-0.3 2,-0.5 -0.845 24.9-131.6-122.4 161.8 16.9 64.7 95.4 17 32 A T E -JK 30 58C 0 41,-2.0 41,-2.3 -2,-0.3 2,-0.6 -0.978 20.1-147.2-114.5 124.2 13.2 64.4 94.8 18 33 A L E -JK 29 57C 3 11,-3.3 10,-3.8 -2,-0.5 11,-1.4 -0.836 18.3-162.7 -95.4 121.9 11.1 67.2 96.4 19 34 A H E -JK 27 56C 9 37,-3.7 37,-2.1 -2,-0.6 2,-0.4 -0.735 12.5-152.3-109.4 152.8 7.7 66.1 97.6 20 35 A T E -JK 26 55C 7 6,-2.6 6,-1.7 -2,-0.3 35,-0.2 -0.979 5.7-158.0-122.3 135.7 4.5 68.0 98.5 21 36 A T + 0 0 42 33,-2.2 4,-0.3 -2,-0.4 34,-0.1 0.393 51.7 128.2 -92.1 5.5 2.0 66.6 101.0 22 37 A S S S- 0 0 67 32,-0.3 2,-0.2 2,-0.2 4,-0.1 -0.963 87.3 -14.3-124.7 132.2 -0.9 68.7 99.7 23 37AA P S S- 0 0 116 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.690 144.4 -20.7 -68.2 -45.9 -3.4 67.7 98.9 24 37BA T S S- 0 0 105 -2,-0.2 -2,-0.2 1,-0.1 -4,-0.1 -0.845 89.0 -76.2-116.3 156.7 -1.9 64.3 99.0 25 37CA Q + 0 0 73 -4,-0.3 2,-0.3 -2,-0.3 -4,-0.2 -0.196 63.5 142.7 -60.4 135.2 1.8 63.4 98.7 26 37DA R E -J 20 0C 132 -6,-1.7 -6,-2.6 -4,-0.1 2,-0.2 -0.986 54.7 -82.8-162.6 159.9 3.5 63.5 95.3 27 38 A H E +J 19 0C 6 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.502 41.9 172.3 -68.3 132.9 6.8 64.5 93.6 28 39 A L E - 0 0 30 -10,-3.8 2,-0.3 1,-0.4 -9,-0.2 0.796 55.3 -22.0-107.6 -53.5 6.9 68.2 93.0 29 40 A a E -J 18 0C 6 -11,-1.4 -11,-3.3 158,-0.1 -1,-0.4 -0.952 57.1-107.4-154.5 169.4 10.4 69.0 91.7 30 41 A G E +J 17 0C 1 158,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.419 37.1 175.9 -93.0 176.7 14.0 67.8 91.5 31 42 A G E -J 16 0C 0 -15,-1.1 -15,-2.4 -2,-0.1 2,-0.4 -0.968 23.1-119.3-170.2 169.7 16.8 69.4 93.5 32 43 A S E -JL 15 40C 1 8,-2.3 8,-3.1 -2,-0.3 2,-0.5 -0.984 17.4-129.1-130.3 132.9 20.5 69.1 94.3 33 44 A I E + L 0 39C 0 -19,-2.6 79,-2.3 -2,-0.4 6,-0.2 -0.650 38.5 157.1 -75.3 121.0 22.4 68.6 97.5 34 45 A I E + 0 0 30 4,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.447 65.9 17.1-121.9 -9.2 25.1 71.3 97.7 35 46 A G E > S- L 0 38C 15 3,-1.4 3,-1.3 75,-0.1 -1,-0.4 -0.973 86.7 -97.2-157.0 161.2 25.6 71.4 101.4 36 47 A N T 3 S+ 0 0 75 -2,-0.3 67,-3.2 1,-0.3 65,-0.1 0.721 128.0 21.7 -58.3 -19.3 24.8 69.2 104.5 37 48 A Q T 3 S+ 0 0 46 65,-0.2 62,-2.5 63,-0.0 2,-0.4 0.196 113.3 89.9-131.1 14.4 21.7 71.3 105.1 38 51 A W E < -LM 35 98C 32 -3,-1.3 -4,-2.4 60,-0.2 -3,-1.4 -0.949 44.0-174.8-129.3 131.6 21.2 72.8 101.7 39 52 A I E -LM 33 97C 4 58,-2.0 58,-2.2 -2,-0.4 2,-0.5 -0.943 16.4-150.8-113.9 132.0 19.3 71.8 98.5 40 53 A L E +LM 32 96C 1 -8,-3.1 -8,-2.3 -2,-0.4 2,-0.2 -0.914 36.1 140.3-103.9 128.2 19.6 74.0 95.4 41 54 A T E - M 0 95C 0 54,-2.6 54,-2.3 -2,-0.5 2,-0.3 -0.743 50.6 -64.0-147.4-167.0 16.6 74.0 93.2 42 55 A A > - 0 0 0 -12,-0.4 3,-0.6 52,-0.3 52,-0.2 -0.661 28.6-143.4 -93.5 148.5 14.3 76.1 91.0 43 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.854 97.0 64.0 -76.4 -36.9 12.2 79.0 92.4 44 57 A H G > S+ 0 0 42 1,-0.3 3,-0.7 2,-0.1 -1,-0.2 0.483 85.4 79.2 -68.0 -0.8 9.2 78.5 90.1 45 58 A a G < S+ 0 0 5 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.579 85.4 61.1 -82.8 -7.7 8.8 75.1 91.9 46 59 A F G X + 0 0 14 -3,-2.0 3,-1.3 2,-0.1 2,-0.5 0.018 66.3 141.8-109.8 29.2 7.2 76.9 94.8 47 59AA Y T < S+ 0 0 215 -3,-0.7 3,-0.1 1,-0.3 -3,-0.0 -0.573 80.8 8.0 -73.5 121.1 4.2 78.4 93.1 48 59BA G T 3 S+ 0 0 58 -2,-0.5 2,-0.8 1,-0.3 -1,-0.3 0.262 96.4 129.9 91.2 -10.5 1.2 78.2 95.5 49 59CA V < + 0 0 29 -3,-1.3 -1,-0.3 1,-0.2 -3,-0.0 -0.676 23.9 166.1 -81.8 108.8 3.5 77.0 98.2 50 60 A E + 0 0 191 -2,-0.8 -1,-0.2 1,-0.2 -3,-0.0 0.521 63.9 36.2-100.5 -7.8 2.8 79.2 101.3 51 61 A S > - 0 0 38 1,-0.1 3,-1.3 27,-0.0 -1,-0.2 -0.982 60.9-144.4-150.1 134.5 4.6 77.0 103.9 52 62 A P G > S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 24,-0.5 0.662 92.2 84.5 -68.8 -12.0 7.8 74.9 103.9 53 63 A K G 3 S+ 0 0 180 1,-0.3 24,-0.0 22,-0.1 25,-0.0 0.706 83.2 55.1 -63.4 -23.1 5.8 72.6 106.2 54 64 A I G < S+ 0 0 45 -3,-1.3 -33,-2.2 -34,-0.1 2,-0.3 0.418 92.4 98.3 -91.3 2.9 4.2 70.7 103.3 55 65 A L E < -K 20 0C 4 -3,-1.7 21,-0.5 -35,-0.2 2,-0.4 -0.681 47.7-176.5 -95.9 145.6 7.6 69.9 101.8 56 66 A R E -KN 19 75C 64 -37,-2.1 -37,-3.7 -2,-0.3 2,-0.5 -0.991 10.6-155.5-139.5 127.1 9.5 66.7 102.1 57 67 A V E -KN 18 74C 0 17,-2.4 17,-3.1 -2,-0.4 2,-0.5 -0.915 8.2-165.8-106.6 126.4 13.0 66.1 100.6 58 68 A Y E -K 17 0C 2 -41,-2.3 -41,-2.0 -2,-0.5 3,-0.3 -0.950 6.2-171.6-114.4 126.2 14.1 62.6 99.9 59 69 A S + 0 0 18 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.706 62.9 32.3-111.1 164.1 17.7 61.7 99.2 60 70 A G S S+ 0 0 27 -45,-0.4 2,-0.4 48,-0.4 -1,-0.2 0.843 83.3 146.0 61.4 35.9 19.4 58.5 98.0 61 71 A I + 0 0 23 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.877 26.0 163.4-110.2 136.6 16.3 57.6 95.9 62 72 A L S S+ 0 0 15 -2,-0.4 83,-2.4 1,-0.4 2,-0.4 0.726 75.0 35.3-108.2 -51.5 16.4 55.8 92.5 63 73 A N B > -P 144 0D 29 81,-0.2 3,-2.0 1,-0.1 -1,-0.4 -0.878 68.6-139.7-110.3 136.6 12.7 54.7 92.3 64 74 A Q G > S+ 0 0 29 79,-2.4 3,-2.0 -2,-0.4 -1,-0.1 0.808 102.0 72.1 -60.2 -27.3 9.7 56.7 93.5 65 75 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.716 82.9 68.8 -61.0 -21.6 8.4 53.3 94.7 66 76 A E G < S+ 0 0 61 -3,-2.0 2,-0.7 1,-0.1 -1,-0.3 0.719 83.3 88.6 -69.3 -20.8 11.0 53.3 97.5 67 77 A I < + 0 0 26 -3,-2.0 2,-0.2 -4,-0.3 -1,-0.1 -0.718 56.2 153.5 -87.0 112.9 9.1 56.2 99.0 68 78 A A - 0 0 45 -2,-0.7 -2,-0.0 4,-0.1 -3,-0.0 -0.693 60.8 -85.1-127.1 180.0 6.4 55.1 101.4 69 79 A E S S+ 0 0 197 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.802 129.6 41.3 -57.4 -31.5 4.6 56.4 104.5 70 80 A D S S+ 0 0 134 2,-0.1 -1,-0.2 0, 0.0 -3,-0.1 0.888 86.0 114.8 -83.1 -43.6 7.4 55.1 106.7 71 81 A T S S- 0 0 33 -5,-0.1 2,-0.1 1,-0.1 -4,-0.1 0.153 70.1-116.5 -29.5 135.3 10.3 56.1 104.5 72 81AA S + 0 0 105 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.459 39.1 173.2 -81.2 155.9 12.4 58.8 106.2 73 82 A F - 0 0 78 -2,-0.1 2,-0.5 -15,-0.1 -15,-0.2 -0.933 33.5 -99.9-152.6 172.8 12.8 62.3 104.7 74 83 A F E -N 57 0C 29 -17,-3.1 -17,-2.4 -2,-0.3 2,-0.1 -0.887 32.5-138.7-105.2 126.4 14.3 65.7 105.4 75 84 A G E -N 56 0C 8 -2,-0.5 25,-2.2 -19,-0.2 2,-0.6 -0.386 18.7-121.5 -75.6 161.1 11.9 68.4 106.6 76 85 A V E -O 99 0C 3 -21,-0.5 23,-0.3 -24,-0.5 -21,-0.2 -0.927 25.9-179.7-110.2 118.0 12.3 71.9 105.1 77 86 A Q E S+ 0 0 95 21,-2.6 2,-0.3 -2,-0.6 22,-0.2 0.813 70.6 6.4 -82.8 -33.6 13.0 74.7 107.6 78 87 A E E -O 98 0C 85 20,-1.6 20,-2.8 -26,-0.1 2,-0.6 -0.978 55.2-147.0-156.7 140.3 13.1 77.6 105.1 79 88 A I E -O 97 0C 38 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.934 19.1-166.1-105.8 120.1 12.5 78.3 101.5 80 89 A I E -O 96 0C 17 16,-3.5 16,-2.9 -2,-0.6 2,-0.4 -0.913 6.6-176.1-113.7 109.1 14.8 80.9 100.1 81 90 A I E -O 95 0C 66 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.830 38.1 -98.9-103.6 138.7 13.8 82.4 96.7 82 91 A H > - 0 0 17 12,-1.8 3,-1.6 -2,-0.4 12,-0.1 -0.298 29.8-132.4 -53.7 132.5 16.0 84.9 94.8 83 92 A D T 3 S+ 0 0 146 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.676 105.1 54.2 -65.1 -16.0 14.5 88.3 95.5 84 93 A Q T 3 S+ 0 0 112 8,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.509 81.7 115.7 -95.4 -3.8 14.7 89.2 91.8 85 94 A Y < + 0 0 49 -3,-1.6 7,-0.1 7,-0.2 3,-0.1 -0.433 21.2 150.5 -68.5 136.7 12.7 86.1 90.7 86 95 A K S S- 0 0 173 5,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.529 70.4 -15.1-128.4 -51.0 9.4 86.7 89.0 87 96 A M >> - 0 0 81 4,-0.3 3,-2.6 1,-0.1 4,-0.6 -0.977 64.7-106.4-160.1 148.5 9.0 83.8 86.6 88 97 A A G >4 S+ 0 0 14 -2,-0.3 3,-1.8 1,-0.3 5,-0.3 0.863 115.9 54.3 -40.7 -54.9 11.2 81.0 85.1 89 98 A E G 34 S+ 0 0 83 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.572 105.7 54.9 -62.7 -9.7 11.3 82.5 81.6 90 99 A S G <4 S- 0 0 77 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.507 110.2-120.9-100.3 -7.8 12.6 85.9 83.1 91 100 A G S << S+ 0 0 8 -3,-1.8 -5,-0.5 -4,-0.6 -1,-0.3 -0.546 83.1 95.3 103.7-169.5 15.5 84.4 84.9 92 101 A Y + 0 0 56 1,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.758 49.5 159.6 49.6 27.7 16.7 84.2 88.5 93 102 A D + 0 0 0 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.525 29.4 113.2 -81.4 78.3 15.0 80.9 88.7 94 103 A I + 0 0 0 -2,-2.1 -12,-1.8 -52,-0.2 2,-0.3 -0.997 35.8 171.9-150.7 144.1 16.9 79.6 91.7 95 104 A A E -MO 41 81C 0 -54,-2.3 -54,-2.6 -2,-0.3 2,-0.4 -0.989 20.9-138.3-151.5 156.2 16.0 78.8 95.3 96 105 A L E -MO 40 80C 0 -16,-2.9 -16,-3.5 -2,-0.3 2,-0.6 -0.934 8.5-154.4-118.8 140.2 17.6 77.3 98.4 97 106 A L E -MO 39 79C 1 -58,-2.2 -58,-2.0 -2,-0.4 2,-0.7 -0.974 8.7-153.1-115.0 117.2 15.9 74.9 100.8 98 107 A K E -MO 38 78C 50 -20,-2.8 -21,-2.6 -2,-0.6 -20,-1.6 -0.832 21.0-136.6 -90.5 119.5 17.3 74.9 104.3 99 108 A L E - 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