==== 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 1ZHP . 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) . 11659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 62.9 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 . 70 29.5 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 . 2 0.8 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 . 30 12.7 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 . 4 3 1 5 2 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 1 0 0 0 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 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,-0.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 127.2 12.7 38.5 61.6 2 17 A V B +A 182 0A 20 180,-3.1 180,-1.6 1,-0.2 133,-0.1 -0.848 360.0 3.3-100.3 130.9 11.5 42.0 60.8 3 18 A G S S+ 0 0 33 -2,-0.5 -1,-0.2 132,-0.3 2,-0.1 0.797 102.3 123.1 71.0 29.8 13.2 44.0 58.0 4 19 A G - 0 0 12 -3,-0.5 2,-0.3 144,-0.1 144,-0.3 -0.356 55.1-115.6-108.5-169.3 15.4 41.1 57.0 5 20 A T E -B 147 0B 93 142,-2.8 142,-2.2 -2,-0.1 -3,-0.0 -0.964 34.3 -88.9-133.7 150.3 16.1 39.2 53.8 6 21 A A E -B 146 0B 49 -2,-0.3 140,-0.2 140,-0.2 139,-0.1 -0.303 50.7-129.2 -55.3 130.1 15.7 35.6 52.7 7 22 A S - 0 0 10 138,-3.1 2,-0.4 55,-0.1 -1,-0.1 -0.126 17.0-106.3 -75.2 176.4 18.8 33.6 53.5 8 23 A V > - 0 0 96 1,-0.0 3,-2.9 54,-0.0 4,-0.4 -0.886 43.1 -95.2-107.1 136.8 20.9 31.5 51.2 9 24 A R T 3 S+ 0 0 145 -2,-0.4 53,-0.1 1,-0.3 -1,-0.0 -0.233 112.8 14.1 -51.8 130.3 20.7 27.7 51.6 10 25 A G T 3 S+ 0 0 42 98,-0.2 -1,-0.3 2,-0.1 50,-0.0 0.319 93.4 116.8 85.8 -8.7 23.5 26.5 53.8 11 26 A E S < S+ 0 0 62 -3,-2.9 -2,-0.1 1,-0.3 51,-0.0 0.902 83.2 28.3 -59.0 -47.4 24.3 30.0 55.0 12 27 A W S > S+ 0 0 14 -4,-0.4 3,-1.8 1,-0.1 -1,-0.3 -0.622 70.2 169.0-118.6 72.3 23.5 29.4 58.7 13 28 A P T 3 S+ 0 0 8 0, 0.0 47,-0.4 0, 0.0 97,-0.2 0.648 75.0 56.9 -56.1 -22.0 24.2 25.7 59.2 14 29 A W T 3 S+ 0 0 10 95,-0.2 19,-2.7 97,-0.1 2,-0.2 0.589 84.8 103.4 -88.5 -10.0 24.0 25.8 63.0 15 30 A Q E < -D 32 0C 5 -3,-1.8 45,-0.5 17,-0.2 46,-0.4 -0.533 50.4-179.2 -75.2 134.8 20.5 27.2 62.8 16 31 A V E -D 31 0C 1 15,-2.7 15,-1.7 -2,-0.2 2,-0.6 -0.937 24.6-133.5-133.1 156.6 17.7 24.7 63.5 17 32 A T E -DE 30 58C 0 41,-1.8 41,-1.7 -2,-0.3 2,-0.6 -0.944 18.3-148.3-113.8 112.7 13.9 24.9 63.6 18 33 A L E -DE 29 57C 3 11,-3.0 10,-3.3 -2,-0.6 11,-1.7 -0.716 19.1-168.7 -84.4 122.0 12.3 23.4 66.7 19 34 A H E -DE 27 56C 9 37,-3.4 37,-2.0 -2,-0.6 2,-0.4 -0.729 11.2-149.2-108.4 157.8 8.8 21.9 65.9 20 35 A T E -DE 26 55C 6 6,-2.1 6,-1.7 -2,-0.3 35,-0.2 -0.944 5.7-156.8-124.5 146.6 6.1 20.6 68.2 21 36 A T + 0 0 43 33,-1.8 4,-0.3 -2,-0.4 34,-0.1 0.338 51.9 123.4-105.2 9.2 3.7 17.8 67.3 22 37 A S S S- 0 0 58 2,-0.3 -1,-0.1 32,-0.2 2,-0.1 -0.968 91.6 -13.2-129.6 125.0 0.9 18.8 69.8 23 37AA P S S- 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.933 145.4 -17.6 -70.9 -31.3 -1.9 19.4 68.9 24 37BA T S S- 0 0 95 -2,-0.1 -2,-0.3 -4,-0.0 -4,-0.2 -0.945 83.9 -83.5-135.0 155.6 -0.5 19.5 65.4 25 37CA Q + 0 0 71 -4,-0.3 2,-0.3 -2,-0.3 -4,-0.2 -0.362 62.4 142.4 -62.1 133.4 3.0 19.9 64.0 26 37DA R E -D 20 0C 124 -6,-1.7 -6,-2.1 -2,-0.1 2,-0.2 -0.964 56.6 -81.7-167.6 152.9 4.2 23.5 63.7 27 38 A H E +D 19 0C 12 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.433 43.8 170.5 -64.2 124.7 7.4 25.6 64.2 28 39 A L E - 0 0 32 -10,-3.3 2,-0.3 1,-0.4 -9,-0.2 0.851 56.1 -26.8 -99.7 -55.4 7.8 26.5 67.9 29 40 A a E -D 18 0C 6 -11,-1.7 -11,-3.0 158,-0.1 -1,-0.4 -0.895 57.1-103.3-152.2 179.7 11.2 28.0 68.1 30 41 A G E -D 17 0C 2 158,-3.3 12,-0.5 -2,-0.3 2,-0.3 -0.622 33.4-180.0-105.7 168.9 14.7 28.3 66.7 31 42 A G E -D 16 0C 0 -15,-1.7 -15,-2.7 -2,-0.2 2,-0.4 -0.971 21.6-124.3-160.7 168.0 17.9 26.8 68.0 32 43 A S E -DF 15 40C 1 8,-2.1 8,-2.6 -2,-0.3 2,-0.5 -0.970 21.8-124.7-125.5 139.3 21.6 26.5 67.3 33 44 A I E + F 0 39C 0 -19,-2.7 79,-1.8 -2,-0.4 6,-0.2 -0.686 39.9 157.2 -78.8 124.2 23.6 23.4 66.9 34 45 A I E + 0 0 30 4,-3.0 2,-0.3 -2,-0.5 5,-0.2 0.450 63.6 15.1-126.5 -3.1 26.5 23.4 69.3 35 46 A G E > S- F 0 38C 13 3,-1.2 3,-1.3 75,-0.0 -1,-0.4 -0.971 87.2 -92.7-161.2 162.6 27.4 19.7 69.6 36 47 A N T 3 S+ 0 0 78 -2,-0.3 67,-3.2 1,-0.3 65,-0.1 0.800 130.5 13.6 -52.0 -29.4 26.7 16.5 67.8 37 48 A Q T 3 S+ 0 0 58 65,-0.2 62,-1.5 63,-0.0 2,-0.4 0.014 111.4 96.4-137.0 29.5 23.8 16.0 70.1 38 51 A W E < -FG 35 98C 30 -3,-1.3 -4,-3.0 60,-0.2 -3,-1.2 -0.960 42.6-176.0-131.5 120.9 23.4 19.5 71.7 39 52 A I E -FG 33 97C 2 58,-1.7 58,-1.8 -2,-0.4 2,-0.5 -0.941 14.9-150.2-112.8 125.2 21.0 22.3 70.7 40 53 A L E +FG 32 96C 0 -8,-2.6 -8,-2.1 -2,-0.5 2,-0.2 -0.825 36.5 136.0 -96.7 132.0 21.2 25.6 72.5 41 54 A T E - G 0 95C 0 54,-2.9 54,-2.7 -2,-0.5 2,-0.5 -0.800 51.3 -55.0-153.8-166.0 18.0 27.5 72.7 42 55 A A > - 0 0 0 -12,-0.5 3,-1.8 52,-0.3 52,-0.2 -0.755 28.4-150.8 -94.0 125.2 15.5 29.6 74.8 43 56 A A G > S+ 0 0 2 -2,-0.5 3,-2.2 1,-0.3 -1,-0.1 0.907 98.4 58.7 -55.9 -42.5 14.1 28.3 78.0 44 57 A H G > S+ 0 0 45 1,-0.3 3,-1.0 2,-0.1 -1,-0.3 0.610 88.7 77.0 -68.6 -6.4 10.9 30.2 77.6 45 58 A a G < S+ 0 0 6 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.535 88.4 59.7 -77.2 -4.7 10.4 28.3 74.4 46 59 A F G X + 0 0 14 -3,-2.2 3,-1.6 -4,-0.1 2,-0.5 0.094 68.8 137.0-112.5 20.8 9.3 25.3 76.4 47 59AA Y T < S+ 0 0 210 -3,-1.0 3,-0.1 1,-0.3 -3,-0.0 -0.578 78.3 13.0 -72.8 119.0 6.4 26.8 78.2 48 59BA G T 3 S+ 0 0 65 -2,-0.5 2,-0.7 1,-0.3 -1,-0.3 0.397 94.7 127.9 96.3 -2.6 3.5 24.3 78.2 49 59CA V < + 0 0 30 -3,-1.6 -1,-0.3 1,-0.2 -3,-0.0 -0.791 26.8 169.8 -92.2 112.4 5.8 21.4 77.1 50 60 A E + 0 0 143 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.905 65.8 26.7 -87.0 -48.0 5.5 18.4 79.3 51 61 A S > - 0 0 40 1,-0.1 3,-1.4 27,-0.0 -1,-0.2 -0.929 62.5-140.4-122.0 141.2 7.4 15.7 77.4 52 62 A P G > S+ 0 0 26 0, 0.0 3,-1.8 0, 0.0 24,-0.6 0.571 91.4 90.5 -72.4 -2.4 10.2 16.1 74.9 53 63 A K G 3 S+ 0 0 172 1,-0.3 24,-0.0 22,-0.1 25,-0.0 0.694 83.9 51.4 -64.7 -18.8 8.4 13.3 73.1 54 64 A I G < S+ 0 0 28 -3,-1.4 -33,-1.8 21,-0.0 -1,-0.3 0.370 92.2 101.3 -98.5 2.1 6.5 15.9 71.2 55 65 A L E < -E 20 0C 4 -3,-1.8 21,-0.6 -35,-0.2 2,-0.3 -0.638 46.1-178.6 -90.8 145.1 9.6 17.8 70.2 56 66 A R E -EH 19 75C 52 -37,-2.0 -37,-3.4 -2,-0.3 2,-0.5 -0.949 11.6-156.5-144.4 121.4 11.2 17.5 66.7 57 67 A V E -EH 18 74C 2 17,-2.7 17,-2.7 -2,-0.3 2,-0.6 -0.872 7.5-161.7-100.9 127.7 14.4 19.3 65.7 58 68 A Y E -E 17 0C 2 -41,-1.7 -41,-1.8 -2,-0.5 3,-0.3 -0.927 9.9-169.4-114.7 111.3 14.9 19.9 62.0 59 69 A S + 0 0 17 -2,-0.6 -43,-0.1 1,-0.2 50,-0.1 -0.434 62.9 24.0 -93.2 167.6 18.5 20.7 60.8 60 70 A G S S+ 0 0 28 -45,-0.5 2,-0.4 -47,-0.4 -1,-0.2 0.885 84.5 147.3 45.3 49.0 19.8 22.0 57.5 61 71 A I + 0 0 22 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.940 25.0 168.2-115.7 136.1 16.4 23.5 56.6 62 72 A L S S+ 0 0 22 -2,-0.4 83,-2.2 1,-0.4 2,-0.3 0.758 73.0 31.2-105.6 -57.8 16.0 26.7 54.5 63 73 A N B > S-J 144 0D 37 81,-0.2 3,-1.3 1,-0.1 -1,-0.4 -0.796 71.8-134.7-104.8 145.8 12.3 26.7 53.7 64 74 A Q G > S+ 0 0 27 79,-2.1 3,-1.6 -2,-0.3 -1,-0.1 0.707 100.9 73.9 -70.3 -19.0 9.6 25.3 56.0 65 75 A A G 3 S+ 0 0 75 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.691 81.6 70.3 -68.2 -16.0 8.0 23.6 53.0 66 76 A E G < S+ 0 0 53 -3,-1.3 2,-0.7 1,-0.1 -1,-0.3 0.733 84.0 87.4 -70.9 -18.8 10.9 21.1 53.1 67 77 A I < + 0 0 23 -3,-1.6 2,-0.2 -4,-0.2 -1,-0.1 -0.727 56.2 134.9 -89.9 113.7 9.3 19.8 56.2 68 78 A K S > S- 0 0 141 -2,-0.7 3,-0.9 4,-0.1 -2,-0.0 -0.599 70.1 -74.7-133.9-163.2 6.6 17.1 55.6 69 79 A E T 3 S+ 0 0 172 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.869 129.1 46.9 -68.8 -38.8 5.5 13.8 57.0 70 80 A D T 3 S+ 0 0 127 2,-0.0 2,-0.6 0, 0.0 -1,-0.2 0.203 84.1 116.7 -90.8 14.2 8.4 12.0 55.3 71 81 A T < - 0 0 27 -3,-0.9 -4,-0.0 1,-0.0 -5,-0.0 -0.743 64.7-129.0 -88.8 119.7 11.1 14.4 56.4 72 81AA S + 0 0 108 -2,-0.6 2,-0.3 -14,-0.0 -4,-0.1 -0.240 37.8 165.9 -61.3 157.1 13.7 12.9 58.7 73 82 A F - 0 0 79 -15,-0.1 2,-0.5 0, 0.0 -15,-0.2 -0.939 37.5 -95.6-160.9 176.2 14.4 14.8 61.9 74 83 A F E -H 57 0C 26 -17,-2.7 -17,-2.7 -2,-0.3 2,-0.1 -0.914 31.6-143.2-109.5 125.3 16.0 14.5 65.3 75 84 A G E -H 56 0C 9 -2,-0.5 25,-2.5 -19,-0.2 2,-0.5 -0.374 22.1-115.3 -78.6 164.0 13.9 13.5 68.3 76 85 A V E -I 99 0C 3 -24,-0.6 23,-0.2 -21,-0.6 -21,-0.2 -0.872 26.3-177.8-104.1 133.6 14.6 15.1 71.7 77 86 A Q E S+ 0 0 95 21,-3.1 2,-0.3 -2,-0.5 22,-0.2 0.838 71.2 6.4 -93.7 -39.5 15.9 12.9 74.5 78 87 A E E -I 98 0C 93 20,-1.4 20,-2.2 -26,-0.1 2,-0.5 -1.000 55.4-147.9-149.3 146.6 16.0 15.5 77.2 79 88 A I E -I 97 0C 39 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.962 18.7-168.4-112.8 116.3 15.1 19.2 77.8 80 89 A I E -I 96 0C 15 16,-3.2 16,-2.8 -2,-0.5 2,-0.3 -0.915 6.8-178.2-113.6 114.4 17.5 21.0 80.2 81 90 A I E -I 95 0C 56 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.742 37.9 -90.1-107.4 154.9 16.4 24.4 81.5 82 91 A H > - 0 0 22 12,-1.4 3,-1.1 10,-0.4 -1,-0.1 -0.352 27.7-137.3 -62.6 141.5 18.3 26.8 83.7 83 92 A D T 3 S+ 0 0 129 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.601 104.0 50.0 -74.2 -13.3 17.5 26.2 87.4 84 93 A Q T 3 S+ 0 0 122 8,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.024 85.6 114.7-113.8 24.9 17.3 30.0 88.0 85 94 A Y < + 0 0 53 -3,-1.1 7,-0.1 1,-0.2 3,-0.1 -0.855 20.7 153.7-103.7 127.4 15.0 30.7 85.1 86 95 A K - 0 0 178 -2,-0.5 2,-0.3 5,-0.5 -1,-0.2 0.647 69.7 -20.6-115.7 -34.0 11.5 32.1 85.7 87 96 A M > - 0 0 85 4,-0.5 3,-1.9 1,-0.1 -1,-0.4 -0.951 62.0 -98.5-175.6 155.5 10.8 33.9 82.5 88 97 A A G > S+ 0 0 15 -2,-0.3 3,-2.5 1,-0.3 5,-0.3 0.891 117.8 51.7 -45.2 -58.9 12.3 35.6 79.4 89 98 A E G 3 S+ 0 0 89 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.617 108.6 55.6 -59.6 -12.2 12.2 39.2 80.7 90 99 A S G < S- 0 0 67 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.202 108.9-125.2-105.7 13.3 13.9 38.0 83.8 91 100 A G S < S+ 0 0 5 -3,-2.5 -4,-0.5 1,-0.1 -5,-0.5 -0.070 81.9 95.8 74.8-176.0 16.9 36.4 82.1 92 101 A Y + 0 0 57 78,-0.3 2,-2.3 1,-0.2 -10,-0.4 0.751 49.8 157.7 60.7 22.5 18.4 32.9 82.3 93 102 A D + 0 0 0 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.536 29.6 115.9 -79.0 76.9 16.3 32.4 79.2 94 103 A I + 0 0 0 -2,-2.3 -12,-1.4 -52,-0.2 2,-0.3 -0.994 35.5 171.1-150.1 138.9 18.5 29.5 78.0 95 104 A A E -GI 41 81C 0 -54,-2.7 -54,-2.9 -2,-0.3 2,-0.4 -0.998 19.8-139.8-150.3 152.4 17.9 25.7 77.5 96 105 A L E -GI 40 80C 0 -16,-2.8 -16,-3.2 -2,-0.3 2,-0.5 -0.873 7.0-155.7-114.0 144.8 19.7 22.7 76.1 97 106 A L E -GI 39 79C 0 -58,-1.8 -58,-1.7 -2,-0.4 2,-0.9 -0.964 6.8-153.3-121.4 114.1 18.2 19.9 74.1 98 107 A K E -GI 38 78C 45 -20,-2.2 -21,-3.1 -2,-0.5 -20,-1.4 -0.785 24.6-136.4 -86.1 110.5 20.0 16.5 74.1 99 108 A L E - 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