==== 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 24-MAY-05 1ZSJ . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.GUO,T.BANNISTER,R.NOLL,L.JIN,M.RYNKIEWICZ,F.BIBBINS, . 238 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 64.7 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 30.7 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 . 27 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.0 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 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.3 3.0 47.1 20.7 2 17 A V B +A 182 0A 21 180,-3.1 180,-1.7 1,-0.2 134,-0.1 -0.804 360.0 5.9 -98.9 136.7 2.4 47.8 17.0 3 18 A G S S+ 0 0 38 132,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.652 102.4 120.7 71.3 17.3 0.0 45.6 15.0 4 19 A G - 0 0 20 -3,-0.4 2,-0.3 178,-0.1 144,-0.2 -0.205 52.8-127.4-100.3-167.4 -1.1 43.7 18.0 5 20 A T E -B 147 0B 79 142,-2.4 142,-2.3 -3,-0.1 2,-0.1 -0.892 36.9 -74.2-137.9 167.7 -4.4 43.1 19.8 6 21 A A E -B 146 0B 50 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.382 49.9-126.4 -65.2 136.6 -5.9 43.3 23.3 7 22 A S - 0 0 7 138,-2.6 2,-0.3 55,-0.1 -1,-0.1 -0.434 19.2-112.0 -81.6 157.4 -4.8 40.6 25.7 8 23 A V > - 0 0 96 -2,-0.1 3,-2.2 1,-0.1 4,-0.3 -0.692 49.1 -90.7 -84.7 142.4 -7.1 38.4 27.6 9 24 A R T 3 S+ 0 0 133 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.307 111.8 8.6 -56.4 131.0 -7.0 39.1 31.4 10 25 A G T 3 S+ 0 0 38 98,-0.1 -1,-0.3 2,-0.1 52,-0.0 0.489 90.4 122.8 77.3 3.2 -4.4 36.9 33.0 11 26 A E S < S+ 0 0 64 -3,-2.2 -2,-0.1 1,-0.3 3,-0.1 0.768 83.3 31.8 -66.8 -28.6 -3.1 35.6 29.7 12 27 A W S > S+ 0 0 12 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.602 73.3 170.9-130.2 69.8 0.5 36.8 30.5 13 28 A P T 3 S+ 0 0 12 0, 0.0 97,-0.9 0, 0.0 47,-0.3 0.580 74.3 58.6 -57.4 -15.5 0.6 36.4 34.3 14 29 A W T 3 S+ 0 0 1 95,-0.2 19,-2.4 97,-0.1 2,-0.3 0.631 83.4 103.5 -90.3 -14.1 4.4 37.1 34.5 15 30 A Q E < +J 32 0C 4 -3,-1.9 45,-0.5 17,-0.2 46,-0.5 -0.506 48.9 179.4 -72.2 128.5 4.0 40.5 32.8 16 31 A V E -J 31 0C 0 15,-2.2 15,-1.0 -2,-0.3 2,-0.5 -0.863 25.8-131.5-124.9 160.2 4.2 43.5 35.2 17 32 A T E -JK 30 58C 0 41,-2.1 41,-2.2 -2,-0.3 2,-0.6 -0.972 19.9-150.1-113.1 123.0 4.0 47.2 34.6 18 33 A L E -JK 29 57C 2 11,-3.4 10,-3.7 -2,-0.5 11,-1.7 -0.853 17.1-168.5 -96.3 122.0 6.8 49.2 36.2 19 34 A H E -JK 27 56C 8 37,-3.2 37,-2.1 -2,-0.6 2,-0.4 -0.758 14.5-150.8-109.7 156.3 5.8 52.7 37.3 20 35 A T E -JK 26 55C 8 6,-2.2 6,-2.1 -2,-0.3 35,-0.2 -0.934 7.2-152.0-118.7 145.9 7.8 55.7 38.4 21 36 A T + 0 0 45 33,-2.0 4,-0.3 -2,-0.4 34,-0.1 0.442 52.0 131.1 -97.9 0.3 6.2 58.2 40.8 22 37 A S S S- 0 0 64 32,-0.3 2,-0.2 2,-0.2 4,-0.1 -0.907 84.1 -12.1-114.0 131.7 8.3 61.1 39.6 23 37AA P S S- 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.861 145.2 -21.3 -73.0 -37.1 7.3 63.7 38.8 24 37BA T S S- 0 0 107 -2,-0.2 -2,-0.2 -4,-0.1 -4,-0.1 -0.923 90.7 -77.1-127.3 154.2 3.8 62.2 38.8 25 37CA Q + 0 0 69 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.215 62.3 147.4 -59.7 134.9 3.0 58.5 38.5 26 37DA R E -J 20 0C 136 -6,-2.1 -6,-2.2 -4,-0.1 2,-0.2 -0.984 52.9 -84.6-160.1 159.5 3.2 56.9 35.1 27 38 A H E +J 19 0C 8 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.505 42.4 172.1 -68.1 133.7 4.1 53.6 33.4 28 39 A L E - 0 0 30 -10,-3.7 2,-0.3 1,-0.4 -9,-0.2 0.772 54.7 -19.5-109.8 -49.5 7.8 53.4 32.8 29 40 A a E -J 18 0C 5 -11,-1.7 -11,-3.4 158,-0.1 -1,-0.4 -0.963 56.4-108.6-156.4 168.1 8.6 49.9 31.5 30 41 A G E +J 17 0C 1 158,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.436 37.4 176.0 -92.6 175.5 7.4 46.3 31.2 31 42 A G E -J 16 0C 0 -15,-1.0 -15,-2.2 -2,-0.1 2,-0.4 -0.964 23.0-122.0-169.8 168.3 9.0 43.5 33.2 32 43 A S E -JL 15 40C 1 8,-2.1 8,-3.1 -2,-0.3 2,-0.5 -0.988 18.1-127.4-130.3 135.6 8.6 39.8 34.0 33 44 A I E + L 0 39C 0 -19,-2.4 79,-2.4 -2,-0.4 6,-0.2 -0.670 38.7 157.5 -77.2 120.7 8.2 37.9 37.2 34 45 A I E + 0 0 28 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.450 65.6 15.1-121.7 -6.4 10.9 35.3 37.4 35 46 A G E > S- L 0 38C 16 3,-1.4 3,-1.3 75,-0.0 -1,-0.3 -0.966 86.9 -95.1-159.1 163.5 11.0 34.7 41.2 36 47 A N T 3 S+ 0 0 75 -2,-0.3 67,-3.2 1,-0.3 65,-0.1 0.720 128.2 21.0 -59.6 -20.3 8.9 35.5 44.2 37 48 A Q T 3 S+ 0 0 53 65,-0.2 62,-2.4 63,-0.0 2,-0.4 0.152 113.0 90.2-132.0 17.6 10.9 38.7 44.8 38 51 A W E < -LM 35 98C 31 -3,-1.3 -4,-2.4 60,-0.2 -3,-1.4 -0.958 43.5-176.0-131.3 131.5 12.4 39.2 41.4 39 52 A I E -LM 33 97C 2 58,-2.0 58,-2.3 -2,-0.4 2,-0.5 -0.946 17.4-149.7-115.1 133.5 11.4 41.1 38.3 40 53 A L E +LM 32 96C 1 -8,-3.1 -8,-2.1 -2,-0.4 56,-0.2 -0.924 35.9 142.2-105.1 128.1 13.6 40.7 35.1 41 54 A T E - M 0 95C 0 54,-2.8 54,-2.3 -2,-0.5 2,-0.4 -0.715 49.6 -65.3-145.7-166.1 13.6 43.9 32.9 42 55 A A > - 0 0 0 -12,-0.4 3,-1.3 52,-0.3 52,-0.2 -0.771 29.1-139.6 -98.9 140.1 15.8 46.1 30.7 43 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.858 98.8 63.4 -61.7 -38.8 18.7 48.1 32.0 44 57 A H G > S+ 0 0 44 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.511 84.9 79.0 -69.6 0.3 18.0 51.2 29.9 45 58 A a G < S+ 0 0 8 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.635 86.3 59.5 -79.3 -13.7 14.7 51.6 31.7 46 59 A F G X + 0 0 18 -3,-1.9 3,-1.4 -4,-0.2 2,-0.5 0.007 68.4 142.6-105.8 26.8 16.5 53.1 34.7 47 59AA Y T < S+ 0 0 213 -3,-0.7 3,-0.1 1,-0.3 -3,-0.0 -0.576 80.7 6.6 -72.0 119.1 18.0 56.1 32.9 48 59BA G T 3 S+ 0 0 71 -2,-0.5 2,-1.0 1,-0.3 -1,-0.3 0.331 95.1 135.6 90.3 -7.9 17.9 59.1 35.2 49 59CA V < + 0 0 32 -3,-1.4 -1,-0.3 1,-0.2 -3,-0.1 -0.650 25.2 172.4 -78.3 104.7 16.6 56.8 38.0 50 60 A E + 0 0 186 -2,-1.0 -1,-0.2 1,-0.2 -4,-0.0 0.715 63.6 23.7 -85.9 -22.1 18.6 57.8 41.1 51 61 A S > - 0 0 33 1,-0.1 3,-1.1 27,-0.0 -1,-0.2 -0.999 61.0-135.0-148.9 148.1 16.7 55.7 43.6 52 62 A P G > S+ 0 0 35 0, 0.0 3,-1.2 0, 0.0 24,-0.6 0.550 94.3 85.6 -74.8 -5.6 14.5 52.6 43.8 53 63 A K G 3 S+ 0 0 177 1,-0.3 24,-0.0 22,-0.1 -33,-0.0 0.694 83.9 53.5 -68.9 -21.4 12.1 54.6 46.0 54 64 A I G < S+ 0 0 47 -3,-1.1 -33,-2.0 -34,-0.1 -32,-0.3 0.381 93.0 97.7 -94.9 4.6 10.3 56.1 43.1 55 65 A L E < -K 20 0C 4 -3,-1.2 21,-0.6 -35,-0.2 2,-0.4 -0.693 47.2-177.7 -98.1 148.0 9.5 52.7 41.6 56 66 A R E -KN 19 75C 62 -37,-2.1 -37,-3.2 -2,-0.3 2,-0.5 -0.986 12.5-153.0-142.7 128.3 6.3 50.7 41.9 57 67 A V E -KN 18 74C 2 17,-2.5 17,-2.9 -2,-0.4 2,-0.5 -0.912 9.3-165.8-107.1 124.7 5.7 47.3 40.4 58 68 A Y E -K 17 0C 1 -41,-2.2 -41,-2.1 -2,-0.5 3,-0.3 -0.945 7.2-171.8-112.1 124.1 2.1 46.3 39.6 59 69 A S + 0 0 19 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.688 63.1 32.2-109.4 163.9 1.3 42.6 38.9 60 70 A G S S+ 0 0 24 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.819 83.7 148.1 61.5 33.1 -1.9 41.0 37.7 61 71 A I + 0 0 21 -46,-0.5 -1,-0.2 -3,-0.3 3,-0.1 -0.828 24.8 161.3-104.9 137.8 -2.7 44.1 35.6 62 72 A L S S+ 0 0 18 -2,-0.4 83,-2.2 1,-0.4 2,-0.4 0.697 74.7 35.0-111.8 -53.9 -4.6 44.1 32.3 63 73 A N B > -P 144 0D 35 81,-0.2 3,-2.3 1,-0.1 -1,-0.4 -0.869 68.8-139.9-108.4 135.3 -5.7 47.7 32.0 64 74 A Q G > S+ 0 0 29 79,-2.6 3,-1.8 -2,-0.4 -1,-0.1 0.784 102.0 72.9 -59.5 -25.0 -3.7 50.7 33.3 65 75 A A G 3 S+ 0 0 78 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.712 82.2 68.9 -63.0 -19.9 -7.0 52.0 34.5 66 76 A E G < S+ 0 0 57 -3,-2.3 2,-0.7 1,-0.1 -1,-0.3 0.721 84.2 87.4 -70.2 -20.2 -7.0 49.4 37.3 67 77 A I < + 0 0 25 -3,-1.8 2,-0.2 -4,-0.3 -1,-0.1 -0.739 54.5 146.4 -89.3 112.9 -4.1 51.3 38.8 68 78 A A > - 0 0 47 -2,-0.7 3,-2.0 4,-0.1 -2,-0.0 -0.745 65.5 -84.5-131.2 178.8 -5.2 54.1 41.2 69 79 A E T 3 S+ 0 0 189 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.813 129.1 49.4 -58.3 -30.1 -3.9 55.7 44.3 70 80 A D T 3 S+ 0 0 144 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.338 85.2 113.0 -92.7 7.8 -5.5 52.9 46.4 71 81 A T < - 0 0 32 -3,-2.0 2,-0.1 1,-0.1 -4,-0.1 -0.653 69.7-120.5 -83.3 133.4 -4.1 50.0 44.2 72 81AA S + 0 0 106 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.367 38.2 172.8 -70.9 151.7 -1.6 47.8 46.0 73 82 A F - 0 0 79 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.940 34.0-104.6-151.5 170.1 1.9 47.5 44.5 74 83 A F E -N 57 0C 29 -17,-2.9 -17,-2.5 -2,-0.3 2,-0.1 -0.900 32.1-139.0-105.2 124.4 5.3 46.0 45.2 75 84 A G E -N 56 0C 9 -2,-0.5 25,-2.4 -19,-0.2 2,-0.6 -0.367 19.1-119.3 -74.9 161.8 8.0 48.4 46.3 76 85 A V E -O 99 0C 3 -24,-0.6 23,-0.3 -21,-0.6 -21,-0.2 -0.921 25.6-178.3-107.8 123.5 11.5 48.0 44.9 77 86 A Q E S+ 0 0 94 21,-2.9 2,-0.3 -2,-0.6 22,-0.2 0.818 70.6 6.0 -86.7 -35.0 14.3 47.3 47.3 78 87 A E E -O 98 0C 85 20,-1.6 20,-2.7 -26,-0.1 2,-0.5 -0.989 55.3-146.3-155.2 142.2 17.2 47.2 44.9 79 88 A I E -O 97 0C 38 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.941 18.4-164.8-107.4 121.9 17.9 47.8 41.2 80 89 A I E -O 96 0C 16 16,-3.4 16,-2.6 -2,-0.5 2,-0.4 -0.909 6.2-173.8-114.3 107.0 20.6 45.5 39.8 81 90 A I E -O 95 0C 58 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.787 37.1-100.2 -97.8 139.4 22.0 46.6 36.4 82 91 A H > - 0 0 15 12,-1.7 3,-1.6 -2,-0.4 -1,-0.1 -0.333 30.2-130.1 -56.8 134.8 24.5 44.4 34.5 83 92 A D T 3 S+ 0 0 132 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.698 105.9 51.7 -63.4 -19.1 28.0 45.8 35.2 84 93 A Q T 3 S+ 0 0 102 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.483 82.2 118.7 -96.3 -2.7 28.8 45.7 31.5 85 94 A Y < + 0 0 52 -3,-1.6 7,-0.1 7,-0.2 3,-0.1 -0.433 18.2 149.1 -68.6 132.5 25.7 47.7 30.4 86 95 A K S S- 0 0 164 5,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.549 70.6 -18.9-126.2 -47.1 26.3 51.0 28.7 87 96 A M >> - 0 0 95 4,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.975 63.2-102.4-164.9 153.4 23.3 51.3 26.4 88 97 A A G >4 S+ 0 0 14 -2,-0.3 3,-1.7 1,-0.3 5,-0.3 0.853 116.3 52.3 -43.7 -53.0 20.6 49.2 24.8 89 98 A E G 34 S+ 0 0 89 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.634 107.0 54.7 -65.4 -14.0 22.2 49.0 21.3 90 99 A S G <4 S- 0 0 78 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.462 110.5-122.3 -97.3 -3.7 25.5 47.8 22.8 91 100 A G S << S+ 0 0 5 -3,-1.7 -5,-0.5 -4,-0.5 -4,-0.4 -0.470 82.3 96.4 98.1-171.0 23.9 44.8 24.6 92 101 A Y + 0 0 54 1,-0.2 2,-2.1 -2,-0.1 -10,-0.3 0.748 48.1 158.3 52.9 27.0 23.8 43.7 28.2 93 102 A D + 0 0 0 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.522 29.6 113.9 -82.7 76.2 20.5 45.5 28.4 94 103 A I + 0 0 0 -2,-2.1 -12,-1.7 -52,-0.2 2,-0.3 -0.998 35.7 172.0-148.5 143.1 19.3 43.5 31.4 95 104 A A E -MO 41 81C 0 -54,-2.3 -54,-2.8 -2,-0.3 2,-0.4 -0.994 20.5-139.5-151.6 153.3 18.4 44.3 35.0 96 105 A L E -MO 40 80C 0 -16,-2.6 -16,-3.4 -2,-0.3 2,-0.5 -0.914 7.9-155.0-116.5 142.1 16.9 42.8 38.1 97 106 A L E -MO 39 79C 1 -58,-2.3 -58,-2.0 -2,-0.4 2,-0.7 -0.981 8.1-153.7-116.6 118.7 14.5 44.4 40.5 98 107 A K E -MO 38 78C 37 -20,-2.7 -21,-2.9 -2,-0.5 -20,-1.6 -0.860 21.3-136.7 -93.3 117.8 14.5 42.9 44.0 99 108 A L E - 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