==== 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 19-MAY-05 1ZRK . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.GUO,T.BANNISTER,R.NOLL,L.JIN,M.J.RYNKIEWICZ,F.BIBBINS, . 237 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11715.0 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 31.2 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 . 26 11.0 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 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 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 0.000 360.0 360.0 360.0 131.2 117.6 20.7 47.1 2 17 A V B +A 182 0A 21 180,-3.3 180,-1.4 1,-0.2 134,-0.1 -0.827 360.0 3.8-103.3 136.6 118.3 17.0 47.6 3 18 A G S S+ 0 0 45 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.734 101.5 122.4 67.9 24.5 120.8 15.0 45.5 4 19 A G - 0 0 23 -3,-0.4 2,-0.3 144,-0.1 144,-0.2 -0.337 51.4-128.9-105.9-171.2 121.9 18.0 43.6 5 20 A T E -B 147 0B 84 142,-2.3 142,-2.1 -2,-0.1 2,-0.2 -0.824 36.8 -72.8-133.8 173.4 125.2 19.8 42.9 6 21 A A E -B 146 0B 57 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.460 49.5-128.5 -69.5 135.7 126.6 23.3 43.1 7 22 A S - 0 0 8 138,-2.6 2,-0.3 -2,-0.2 138,-0.1 -0.435 20.2-111.8 -81.0 159.2 125.4 25.7 40.4 8 23 A V > - 0 0 97 -2,-0.1 3,-2.0 1,-0.1 4,-0.3 -0.670 46.7 -92.1 -86.8 146.2 127.8 27.7 38.3 9 24 A R T 3 S+ 0 0 136 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.374 112.8 12.8 -60.8 133.6 127.6 31.4 38.9 10 25 A G T 3 S+ 0 0 38 98,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.396 91.0 119.5 81.2 -4.3 125.1 33.1 36.6 11 26 A E S < S+ 0 0 64 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.790 85.2 29.0 -63.1 -29.8 123.8 29.7 35.5 12 27 A W S > S+ 0 0 14 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.487 71.8 169.1-131.5 63.9 120.3 30.6 36.8 13 28 A P T 3 S+ 0 0 11 0, 0.0 97,-1.1 0, 0.0 47,-0.3 0.562 74.9 58.9 -53.3 -12.7 120.2 34.5 36.5 14 29 A W T 3 S+ 0 0 1 95,-0.2 19,-2.4 97,-0.1 2,-0.2 0.579 83.1 103.0 -94.4 -10.2 116.4 34.6 37.2 15 30 A Q E < -J 32 0C 5 -3,-2.5 45,-0.5 17,-0.2 46,-0.4 -0.513 48.8-179.1 -76.2 135.9 116.8 32.9 40.6 16 31 A V E -JK 31 59C 1 15,-1.9 15,-1.0 -2,-0.2 2,-0.6 -0.921 25.1-132.1-131.2 158.5 116.5 35.2 43.7 17 32 A T E -JK 30 58C 0 41,-2.0 41,-2.1 -2,-0.3 2,-0.6 -0.966 20.0-150.4-112.5 119.8 116.8 34.6 47.4 18 33 A L E -JK 29 57C 2 11,-3.3 10,-3.3 -2,-0.6 11,-1.8 -0.830 17.8-168.2 -94.7 117.9 114.0 36.2 49.4 19 34 A H E -JK 27 56C 7 37,-3.2 37,-1.9 -2,-0.6 2,-0.4 -0.690 15.2-150.9-105.2 157.7 115.0 37.2 52.9 20 35 A T E -JK 26 55C 6 6,-2.3 6,-2.2 -2,-0.3 35,-0.2 -0.937 6.3-154.2-119.3 146.0 113.0 38.3 55.9 21 36 A T + 0 0 43 33,-2.0 4,-0.3 -2,-0.4 34,-0.1 0.434 51.2 133.0 -99.9 1.9 114.7 40.6 58.4 22 37 A S S S- 0 0 65 32,-0.3 2,-0.1 2,-0.1 4,-0.1 -0.892 84.4 -12.9-112.3 128.2 112.5 39.4 61.3 23 37AA P S S- 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.885 145.8 -19.5 -74.2 -35.1 113.6 38.7 63.9 24 37BA T S S- 0 0 105 -2,-0.1 -2,-0.1 -4,-0.1 -4,-0.1 -0.932 91.0 -77.3-128.7 154.0 117.1 38.7 62.4 25 37CA Q + 0 0 70 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.251 62.5 147.5 -61.5 131.5 117.9 38.4 58.6 26 37DA R E -J 20 0C 130 -6,-2.2 -6,-2.3 -4,-0.1 2,-0.2 -0.980 53.1 -86.2-156.1 159.6 117.6 35.0 57.0 27 38 A H E +J 19 0C 8 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.485 41.7 174.1 -67.0 139.1 116.7 33.4 53.7 28 39 A L E - 0 0 30 -10,-3.3 2,-0.3 1,-0.4 -9,-0.2 0.724 54.1 -23.6-115.5 -45.9 113.0 32.8 53.6 29 40 A a E -J 18 0C 6 -11,-1.8 -11,-3.3 158,-0.1 -1,-0.4 -0.972 58.3-101.8-161.3 170.4 112.2 31.4 50.1 30 41 A G E +J 17 0C 1 158,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.408 38.1 178.5 -92.3 175.4 113.3 31.2 46.5 31 42 A G E -J 16 0C 0 -15,-1.0 -15,-1.9 -2,-0.1 2,-0.4 -0.984 22.3-122.4-169.4 168.2 111.9 33.3 43.6 32 43 A S E -JL 15 40C 0 8,-2.1 8,-3.2 -2,-0.3 2,-0.5 -0.981 17.0-132.5-130.0 132.0 112.0 34.1 39.9 33 44 A I E + L 0 39C 1 -19,-2.4 79,-2.2 -2,-0.4 6,-0.2 -0.680 36.7 158.1 -77.4 121.7 112.6 37.3 38.1 34 45 A I E + 0 0 29 4,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.508 64.3 10.5-120.5 -11.1 109.9 37.6 35.5 35 46 A G E > S- L 0 38C 16 3,-1.3 3,-1.4 75,-0.0 -1,-0.3 -0.954 90.0 -84.4-157.6 169.3 109.8 41.3 34.9 36 47 A N T 3 S+ 0 0 81 -2,-0.3 67,-3.3 1,-0.3 65,-0.1 0.746 128.6 13.1 -54.0 -29.8 111.8 44.5 35.7 37 48 A Q T 3 S+ 0 0 55 65,-0.2 62,-2.1 63,-0.0 2,-0.4 0.006 111.8 97.6-136.8 32.0 110.0 44.9 39.0 38 51 A W E < -LM 35 98C 30 -3,-1.4 -4,-2.4 60,-0.2 -3,-1.3 -0.973 42.7-174.7-132.4 128.7 108.3 41.5 39.4 39 52 A I E -LM 33 97C 5 58,-1.8 58,-2.0 -2,-0.4 2,-0.6 -0.953 15.8-148.5-116.3 131.2 109.3 38.3 41.3 40 53 A L E +LM 32 96C 0 -8,-3.2 -8,-2.1 -2,-0.5 2,-0.2 -0.885 37.2 141.2-101.6 127.2 107.2 35.2 40.9 41 54 A T E - M 0 95C 0 54,-2.7 54,-2.4 -2,-0.6 2,-0.4 -0.767 50.2 -65.8-146.2-169.0 107.2 33.1 44.1 42 55 A A > - 0 0 0 -12,-0.4 3,-0.9 52,-0.3 52,-0.2 -0.738 27.9-142.7 -95.0 139.5 105.0 30.8 46.3 43 56 A A G > S+ 0 0 1 -2,-0.4 3,-2.2 1,-0.2 -1,-0.1 0.882 99.0 62.1 -63.7 -41.9 102.1 32.2 48.4 44 57 A H G > S+ 0 0 46 1,-0.3 3,-1.4 2,-0.1 -1,-0.2 0.692 85.7 79.4 -61.5 -14.9 102.7 30.0 51.4 45 58 A a G < S+ 0 0 8 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.691 87.0 58.4 -64.9 -16.5 106.1 31.7 51.7 46 59 A F G X + 0 0 13 -3,-2.2 3,-2.2 -4,-0.2 -1,-0.3 0.204 67.7 142.7-106.6 24.3 104.3 34.6 53.4 47 59AA Y T < S+ 0 0 214 -3,-1.4 3,-0.1 1,-0.3 -3,-0.0 -0.388 82.7 5.9 -59.2 128.0 102.7 32.8 56.3 48 59BA G T 3 S+ 0 0 67 1,-0.2 2,-0.9 -2,-0.1 -1,-0.3 0.393 95.2 131.4 77.5 -5.6 103.0 35.2 59.3 49 59CA V < + 0 0 28 -3,-2.2 -1,-0.2 1,-0.2 -3,-0.0 -0.736 26.4 172.5 -84.6 107.0 104.4 38.0 57.1 50 60 A E + 0 0 196 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.732 62.4 31.1 -85.2 -27.2 102.3 41.1 58.0 51 61 A S > - 0 0 38 1,-0.1 3,-1.0 27,-0.0 -1,-0.2 -0.988 62.6-137.9-139.3 148.0 104.2 43.7 56.0 52 62 A P G > S+ 0 0 35 0, 0.0 3,-1.5 0, 0.0 24,-0.6 0.622 94.6 83.1 -71.7 -15.7 106.4 43.8 52.8 53 63 A K G 3 S+ 0 0 184 1,-0.3 24,-0.0 22,-0.1 25,-0.0 0.656 83.2 55.1 -66.3 -19.1 108.8 46.0 54.8 54 64 A I G < S+ 0 0 44 -3,-1.0 -33,-2.0 -34,-0.0 -32,-0.3 0.397 93.2 97.3 -94.6 2.7 110.6 43.0 56.4 55 65 A L E < -K 20 0C 4 -3,-1.5 21,-0.5 -35,-0.2 2,-0.3 -0.670 47.6-179.4 -96.0 148.0 111.3 41.6 53.0 56 66 A R E -KN 19 75C 64 -37,-1.9 -37,-3.2 -2,-0.3 2,-0.5 -0.985 12.6-153.5-144.4 130.4 114.5 41.9 51.0 57 67 A V E -KN 18 74C 1 17,-2.2 17,-2.6 -2,-0.3 2,-0.5 -0.931 8.1-165.2-111.4 125.0 115.1 40.4 47.5 58 68 A Y E -K 17 0C 2 -41,-2.1 -41,-2.0 -2,-0.5 3,-0.3 -0.934 7.0-172.5-111.9 126.8 118.7 39.6 46.4 59 69 A S E +K 16 0C 17 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.715 63.7 33.0-111.8 163.3 119.5 38.9 42.8 60 70 A G S S+ 0 0 25 -45,-0.5 2,-0.4 48,-0.3 -1,-0.2 0.792 83.4 147.9 62.9 29.4 122.7 37.7 41.2 61 71 A I + 0 0 22 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.829 24.6 162.6-103.7 131.3 123.5 35.6 44.2 62 72 A L S S+ 0 0 20 -2,-0.4 83,-2.1 1,-0.4 2,-0.4 0.790 75.0 32.4-103.8 -53.1 125.4 32.2 44.1 63 73 A N B > -P 144 0D 32 81,-0.2 3,-2.1 1,-0.1 -1,-0.4 -0.895 68.0-140.6-110.3 134.6 126.4 31.9 47.8 64 74 A Q G > S+ 0 0 30 79,-2.4 3,-1.8 -2,-0.4 -1,-0.1 0.776 102.6 72.6 -59.9 -25.9 124.4 33.2 50.7 65 75 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 78,-0.2 79,-0.1 0.749 84.5 67.4 -60.8 -24.0 127.8 34.2 52.2 66 76 A E G < S+ 0 0 61 -3,-2.1 2,-0.6 2,-0.0 -1,-0.3 0.719 83.6 86.7 -67.3 -25.7 127.8 37.0 49.5 67 77 A I < + 0 0 23 -3,-1.8 2,-0.2 -4,-0.3 -9,-0.0 -0.731 56.0 148.7 -84.5 116.2 124.9 38.6 51.4 68 78 A A > - 0 0 48 -2,-0.6 3,-1.8 4,-0.1 -2,-0.0 -0.745 64.5 -84.2-133.0 179.9 126.1 41.0 54.1 69 79 A E T 3 S+ 0 0 193 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.785 127.7 52.0 -61.1 -26.1 124.9 44.2 55.7 70 80 A D T 3 S+ 0 0 144 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.199 84.2 110.9 -96.6 17.1 126.5 46.2 52.9 71 81 A T < - 0 0 31 -3,-1.8 2,-0.1 1,-0.0 -4,-0.1 -0.778 69.5-122.7 -93.7 133.0 125.0 44.2 50.1 72 81AA S + 0 0 108 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.412 36.4 175.2 -72.8 149.9 122.4 46.1 48.0 73 82 A F - 0 0 76 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.908 32.3-103.0-146.4 172.0 118.9 44.5 47.7 74 83 A F E -N 57 0C 28 -17,-2.6 -17,-2.2 -2,-0.3 2,-0.1 -0.889 31.2-138.3-105.2 127.4 115.5 45.2 46.3 75 84 A G E -N 56 0C 7 -2,-0.5 25,-2.3 -19,-0.2 2,-0.6 -0.446 18.9-121.6 -77.9 157.8 112.8 46.4 48.7 76 85 A V E -O 99 0C 4 -24,-0.6 23,-0.3 -21,-0.5 -21,-0.2 -0.910 25.1-178.2-106.1 120.8 109.3 44.9 48.3 77 86 A Q E S+ 0 0 95 21,-2.8 2,-0.3 -2,-0.6 22,-0.2 0.803 70.4 7.0 -83.8 -33.0 106.5 47.4 47.6 78 87 A E E -O 98 0C 83 20,-1.5 20,-2.5 -26,-0.1 2,-0.6 -0.983 54.6-147.5-157.4 140.2 103.7 45.0 47.5 79 88 A I E -O 97 0C 38 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.937 19.2-166.3-106.0 122.0 102.9 41.3 48.1 80 89 A I E -O 96 0C 17 16,-2.9 16,-2.8 -2,-0.6 2,-0.4 -0.922 6.0-174.0-115.8 108.5 100.2 40.0 45.8 81 90 A I E -O 95 0C 67 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.856 35.4-101.6-104.0 134.1 98.8 36.6 46.8 82 91 A H > - 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