==== 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, BLOOD CLOTTING 26-APR-05 1ZHM . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.JIN,P.PANDEY,R.E.BABINE,D.T.WEAVER,S.S.ABDEL-MEGUID, . 237 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11840.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 64.1 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 . 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 . 26 11.0 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 . 11 4.6 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,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.5 3.0 47.0 20.5 2 17 A V B +A 182 0A 22 180,-3.2 180,-1.5 1,-0.2 134,-0.1 -0.794 360.0 3.2 -97.4 135.5 2.4 47.6 16.8 3 18 A G S S+ 0 0 42 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.701 102.1 125.4 68.5 21.0 -0.0 45.5 14.8 4 19 A G - 0 0 17 -3,-0.5 2,-0.3 178,-0.1 144,-0.2 -0.234 51.3-127.5 -99.8-169.8 -1.1 43.6 17.9 5 20 A T E -B 147 0B 78 142,-2.4 142,-2.3 -3,-0.1 2,-0.1 -0.900 36.8 -77.6-136.0 164.5 -4.4 42.8 19.6 6 21 A A E -B 146 0B 49 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.370 49.7-125.5 -63.6 137.9 -5.8 43.1 23.1 7 22 A S - 0 0 7 138,-2.6 2,-0.3 55,-0.1 138,-0.1 -0.442 20.4-110.1 -82.2 158.6 -4.7 40.3 25.4 8 23 A V > - 0 0 94 -2,-0.1 3,-2.4 1,-0.1 4,-0.3 -0.711 47.6 -94.9 -85.0 139.3 -7.0 38.1 27.4 9 24 A R T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.317 112.3 13.3 -56.4 131.9 -6.9 38.9 31.1 10 25 A G T 3 S+ 0 0 41 98,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.447 91.7 119.4 81.1 -0.2 -4.5 36.5 32.8 11 26 A E S < S+ 0 0 60 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.783 84.7 28.8 -67.3 -30.2 -3.1 35.4 29.4 12 27 A W S > S+ 0 0 11 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.583 72.5 170.0-131.3 68.3 0.5 36.6 30.3 13 28 A P T 3 S+ 0 0 12 0, 0.0 97,-0.9 0, 0.0 47,-0.3 0.591 75.1 58.1 -57.0 -14.8 0.6 36.3 34.1 14 29 A W T 3 S+ 0 0 12 95,-0.2 19,-2.3 97,-0.1 2,-0.3 0.631 82.9 103.1 -90.8 -15.1 4.3 37.0 34.2 15 30 A Q E < -J 32 0C 4 -3,-2.0 45,-0.5 17,-0.2 46,-0.4 -0.516 50.1-179.9 -71.6 128.3 3.9 40.4 32.5 16 31 A V E -J 31 0C 1 15,-2.2 15,-1.0 -2,-0.3 2,-0.5 -0.865 25.6-131.5-124.7 159.7 4.2 43.3 34.9 17 32 A T E -JK 30 58C 0 41,-2.3 41,-2.4 -2,-0.3 2,-0.6 -0.970 19.7-150.0-113.0 122.4 4.0 47.1 34.3 18 33 A L E -JK 29 57C 2 11,-3.3 10,-3.8 -2,-0.5 11,-1.7 -0.845 17.2-168.2 -95.5 122.1 6.8 49.0 35.9 19 34 A H E -JK 27 56C 9 37,-3.3 37,-2.1 -2,-0.6 2,-0.4 -0.770 14.7-150.3-109.8 154.9 5.8 52.5 36.9 20 35 A T E -JK 26 55C 6 6,-2.2 6,-1.9 -2,-0.3 35,-0.2 -0.927 7.1-152.2-116.9 146.2 7.9 55.5 38.1 21 36 A T + 0 0 46 33,-2.2 4,-0.3 -2,-0.4 34,-0.1 0.389 53.1 130.5 -98.0 2.4 6.2 58.0 40.5 22 37 A S S S- 0 0 65 32,-0.3 2,-0.2 2,-0.1 4,-0.1 -0.923 83.9 -11.3-116.3 129.4 8.4 60.9 39.2 23 37AA P S S- 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.839 144.3 -23.7 -70.9 -42.9 7.3 63.5 38.4 24 37BA T S S- 0 0 107 -2,-0.2 -4,-0.1 -4,-0.1 -2,-0.1 -0.863 91.1 -74.2-123.8 160.8 3.8 62.0 38.5 25 37CA Q + 0 0 72 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.299 63.2 146.8 -64.2 134.5 3.0 58.3 38.2 26 37DA R E -J 20 0C 132 -6,-1.9 -6,-2.2 -4,-0.1 2,-0.2 -0.980 53.6 -85.4-159.8 158.1 3.2 56.7 34.7 27 38 A H E +J 19 0C 8 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.511 41.8 174.0 -68.1 132.5 4.1 53.4 33.0 28 39 A L E - 0 0 30 -10,-3.8 2,-0.3 1,-0.4 -9,-0.2 0.796 54.7 -24.2-107.0 -51.2 7.9 53.2 32.5 29 40 A a E -J 18 0C 6 -11,-1.7 -11,-3.3 158,-0.1 -1,-0.4 -0.957 56.9-104.5-156.8 172.0 8.6 49.8 31.1 30 41 A G E +J 17 0C 1 158,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.432 37.5 173.3 -94.2 175.6 7.4 46.2 30.9 31 42 A G E -J 16 0C 0 -15,-1.0 -15,-2.2 -2,-0.1 2,-0.4 -0.967 23.9-119.6-171.8 170.0 9.0 43.3 32.9 32 43 A S E -JL 15 40C 1 8,-2.2 8,-3.2 -2,-0.3 2,-0.5 -0.987 17.8-127.6-132.0 133.9 8.6 39.6 33.7 33 44 A I E + L 0 39C 2 -19,-2.3 79,-2.1 -2,-0.4 6,-0.2 -0.631 38.0 158.3 -74.2 121.2 8.1 37.8 37.0 34 45 A I E + 0 0 27 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.465 66.1 13.2-121.0 -8.2 10.8 35.1 37.1 35 46 A G E > S- L 0 38C 16 3,-1.5 3,-1.2 75,-0.0 -1,-0.4 -0.964 87.2 -93.7-158.5 164.7 10.9 34.5 40.9 36 47 A N T 3 S+ 0 0 70 -2,-0.3 67,-3.6 1,-0.3 65,-0.1 0.723 128.6 20.7 -59.4 -21.0 8.8 35.4 43.9 37 48 A Q T 3 S+ 0 0 51 65,-0.2 62,-2.5 63,-0.0 2,-0.4 0.170 113.6 90.7-130.9 15.9 10.9 38.5 44.5 38 51 A W E < -LM 35 98C 33 -3,-1.2 -4,-2.5 60,-0.2 -3,-1.5 -0.951 43.2-177.6-129.4 131.9 12.3 38.9 41.1 39 52 A I E -LM 33 97C 4 58,-1.8 58,-2.2 -2,-0.4 2,-0.5 -0.965 17.7-149.2-117.9 131.8 11.4 40.8 38.0 40 53 A L E +LM 32 96C 0 -8,-3.2 -8,-2.2 -2,-0.4 56,-0.2 -0.903 36.2 142.6-102.6 127.5 13.6 40.5 34.8 41 54 A T E - M 0 95C 0 54,-2.9 54,-2.3 -2,-0.5 2,-0.4 -0.703 50.0 -64.5-144.8-165.0 13.5 43.6 32.7 42 55 A A > - 0 0 0 -12,-0.4 3,-1.4 52,-0.3 52,-0.2 -0.798 28.7-142.5 -99.5 136.2 15.7 45.9 30.5 43 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.859 98.4 62.1 -60.6 -39.9 18.7 47.8 31.9 44 57 A H G > S+ 0 0 45 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.537 85.4 79.3 -67.8 -4.1 18.1 50.9 29.7 45 58 A a G < S+ 0 0 8 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.600 86.3 60.1 -76.3 -11.7 14.7 51.3 31.3 46 59 A F G X + 0 0 11 -3,-1.8 3,-1.6 -4,-0.1 2,-0.4 0.061 67.5 141.9-106.8 25.2 16.4 52.9 34.3 47 59AA Y T < S+ 0 0 217 -3,-0.9 3,-0.1 1,-0.3 -3,-0.0 -0.539 81.2 7.8 -68.2 122.8 18.0 55.8 32.6 48 59BA G T 3 S+ 0 0 72 -2,-0.4 2,-0.9 1,-0.3 -1,-0.3 0.291 94.7 133.9 89.3 -10.6 17.8 58.8 34.9 49 59CA V < + 0 0 29 -3,-1.6 -1,-0.3 1,-0.2 -3,-0.0 -0.653 26.0 173.0 -78.5 105.6 16.5 56.6 37.7 50 60 A E + 0 0 191 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.0 0.760 64.3 22.4 -85.1 -28.2 18.5 57.6 40.7 51 61 A S > - 0 0 35 1,-0.1 3,-1.1 27,-0.0 -1,-0.2 -0.995 60.7-136.7-143.4 147.3 16.6 55.5 43.3 52 62 A P G > S+ 0 0 32 0, 0.0 3,-2.0 0, 0.0 24,-0.5 0.642 94.2 86.5 -73.5 -11.6 14.4 52.4 43.3 53 63 A K G 3 S+ 0 0 178 1,-0.3 24,-0.0 22,-0.1 -33,-0.0 0.715 84.2 54.0 -60.2 -23.9 12.2 54.4 45.7 54 64 A I G < S+ 0 0 44 -3,-1.1 -33,-2.2 -34,-0.0 -32,-0.3 0.427 93.6 96.3 -92.0 1.5 10.4 55.9 42.8 55 65 A L E < -K 20 0C 4 -3,-2.0 21,-0.5 -35,-0.2 2,-0.4 -0.654 47.4-177.7 -96.4 149.3 9.5 52.6 41.2 56 66 A R E -KN 19 75C 64 -37,-2.1 -37,-3.3 -2,-0.3 2,-0.6 -0.980 12.8-152.6-144.0 127.6 6.3 50.5 41.6 57 67 A V E -KN 18 74C 2 17,-2.5 17,-2.7 -2,-0.4 2,-0.5 -0.913 9.2-165.6-106.5 123.2 5.7 47.1 40.1 58 68 A Y E -K 17 0C 1 -41,-2.4 -41,-2.3 -2,-0.6 3,-0.3 -0.937 7.7-173.8-110.6 123.9 2.2 46.2 39.3 59 69 A S + 0 0 18 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.671 62.5 34.3-109.4 166.0 1.4 42.5 38.5 60 70 A G S S+ 0 0 24 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.822 83.3 146.0 60.5 34.0 -1.9 40.9 37.4 61 71 A I + 0 0 20 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.859 25.1 163.0-107.8 136.0 -2.7 43.9 35.3 62 72 A L S S+ 0 0 20 -2,-0.4 83,-2.2 1,-0.4 2,-0.4 0.739 74.8 34.3-107.8 -56.5 -4.6 43.9 32.0 63 73 A N B > S-P 144 0D 35 81,-0.2 3,-2.5 1,-0.1 -1,-0.4 -0.861 70.2-138.3-105.9 133.6 -5.7 47.6 31.6 64 74 A Q G > S+ 0 0 30 79,-2.8 3,-1.8 -2,-0.4 -1,-0.1 0.792 103.3 71.7 -57.0 -25.7 -3.6 50.5 32.9 65 75 A A G 3 S+ 0 0 77 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.713 82.7 68.5 -64.2 -20.2 -7.0 51.8 34.1 66 76 A E G < S+ 0 0 55 -3,-2.5 2,-0.7 1,-0.0 -1,-0.3 0.679 83.6 88.3 -71.5 -17.0 -7.0 49.2 36.8 67 77 A I < + 0 0 25 -3,-1.8 2,-0.2 -4,-0.3 -1,-0.0 -0.761 56.2 152.6 -89.6 112.9 -4.1 51.0 38.4 68 78 A A > - 0 0 46 -2,-0.7 3,-1.7 4,-0.1 -2,-0.0 -0.707 62.3 -88.9-126.8 179.2 -5.3 53.7 40.8 69 79 A E T 3 S+ 0 0 188 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.806 128.3 50.5 -61.7 -28.5 -3.9 55.4 43.9 70 80 A D T 3 S+ 0 0 146 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.331 85.2 113.8 -92.4 7.6 -5.5 52.6 46.0 71 81 A T < - 0 0 33 -3,-1.7 2,-0.1 1,-0.1 -4,-0.1 -0.632 69.2-120.2 -82.9 135.4 -4.1 49.8 43.9 72 81AA S + 0 0 107 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.409 38.3 173.6 -72.5 149.7 -1.5 47.5 45.7 73 82 A F - 0 0 79 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.922 33.2-105.4-148.7 171.0 2.0 47.3 44.2 74 83 A F E -N 57 0C 27 -17,-2.7 -17,-2.5 -2,-0.3 2,-0.1 -0.904 31.2-138.2-105.9 127.3 5.4 45.8 44.9 75 84 A G E -N 56 0C 7 -2,-0.5 25,-2.6 -19,-0.2 2,-0.6 -0.426 18.5-121.3 -77.6 160.3 8.1 48.2 46.0 76 85 A V E -O 99 0C 3 -21,-0.5 23,-0.3 -24,-0.5 -21,-0.2 -0.924 26.0-179.5-107.6 120.9 11.6 47.8 44.5 77 86 A Q E S+ 0 0 95 21,-2.9 2,-0.3 -2,-0.6 22,-0.2 0.817 70.7 8.8 -86.4 -34.6 14.4 47.2 47.0 78 87 A E E -O 98 0C 86 20,-1.6 20,-2.9 -26,-0.1 2,-0.6 -0.991 55.8-148.8-153.2 140.2 17.2 47.0 44.5 79 88 A I E -O 97 0C 39 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.944 18.5-164.4-106.3 121.3 17.9 47.6 40.8 80 89 A I E -O 96 0C 16 16,-3.5 16,-2.7 -2,-0.6 2,-0.4 -0.921 6.5-173.6-113.1 109.5 20.5 45.2 39.5 81 90 A I E -O 95 0C 71 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.851 36.4-101.4-102.2 134.5 22.0 46.3 36.1 82 91 A H > - 0 0 17 12,-1.9 3,-1.7 -2,-0.4 12,-0.1 -0.283 29.4-131.2 -52.8 132.2 24.4 44.1 34.3 83 92 A D T 3 S+ 0 0 151 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.689 105.9 52.9 -62.5 -19.0 27.9 45.5 34.9 84 93 A Q T 3 S+ 0 0 114 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.500 82.7 117.5 -94.2 -4.4 28.7 45.4 31.1 85 94 A Y < + 0 0 54 -3,-1.7 7,-0.1 1,-0.2 3,-0.1 -0.421 20.3 149.0 -67.2 134.6 25.6 47.3 30.2 86 95 A K - 0 0 168 5,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.555 69.4 -18.7-128.1 -50.1 26.2 50.6 28.5 87 96 A M > - 0 0 84 4,-0.4 3,-1.8 1,-0.1 -1,-0.4 -0.976 65.2-101.9-162.1 152.3 23.3 51.1 26.1 88 97 A A G > S+ 0 0 13 -2,-0.3 3,-1.9 1,-0.3 5,-0.3 0.861 115.8 53.0 -43.5 -53.7 20.5 49.0 24.5 89 98 A E G 3 S+ 0 0 83 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.650 106.2 54.0 -63.7 -16.6 22.1 48.8 21.0 90 99 A S G < S- 0 0 73 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.361 111.0-123.7 -98.2 3.6 25.4 47.5 22.4 91 100 A G S < S+ 0 0 5 -3,-1.9 -5,-0.6 -4,-0.4 -4,-0.4 -0.371 81.1 99.5 92.7-169.7 23.8 44.6 24.3 92 101 A Y + 0 0 52 1,-0.2 2,-2.1 78,-0.1 -10,-0.3 0.780 47.0 159.9 53.0 28.7 23.7 43.5 27.9 93 102 A D + 0 0 0 -5,-0.3 2,-0.3 -50,-0.1 -1,-0.2 -0.536 29.6 115.1 -82.5 77.9 20.3 45.2 28.1 94 103 A I + 0 0 0 -2,-2.1 -12,-1.9 -52,-0.2 2,-0.3 -0.996 34.8 170.7-150.2 140.2 19.2 43.3 31.1 95 104 A A E -MO 41 81C 0 -54,-2.3 -54,-2.9 -2,-0.3 2,-0.4 -0.989 20.9-140.1-149.7 153.3 18.4 44.1 34.7 96 105 A L E -MO 40 80C 0 -16,-2.7 -16,-3.5 -2,-0.3 2,-0.6 -0.919 8.2-153.9-116.0 141.1 16.8 42.5 37.8 97 106 A L E -MO 39 79C 1 -58,-2.2 -58,-1.8 -2,-0.4 2,-0.7 -0.975 8.1-152.9-115.3 118.5 14.5 44.2 40.2 98 107 A K E -MO 38 78C 51 -20,-2.9 -21,-2.9 -2,-0.6 -20,-1.6 -0.846 22.1-136.7 -90.9 118.1 14.5 42.7 43.7 99 108 A L E - 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