==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-DEC-05 2FDA . 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) . 11678.0 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 . 2 0.8 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 . 23 9.7 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 3 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 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 0.000 360.0 360.0 360.0 119.4 2.8 47.5 20.8 2 17 A V B +A 182 0A 22 180,-3.1 180,-1.6 1,-0.2 134,-0.1 -0.756 360.0 6.1 -91.0 138.2 2.2 48.4 17.2 3 18 A G S S+ 0 0 43 132,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.663 102.4 123.3 70.9 15.6 -0.3 46.3 15.1 4 19 A G - 0 0 24 -3,-0.5 2,-0.3 178,-0.1 144,-0.2 -0.238 52.5-127.5 -97.2-171.4 -1.3 44.3 18.2 5 20 A T E -B 147 0B 80 142,-2.5 142,-2.5 -3,-0.1 2,-0.1 -0.870 36.8 -75.6-132.3 168.6 -4.7 43.6 19.9 6 21 A A E -B 146 0B 49 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.388 49.7-127.3 -64.3 136.3 -6.1 43.9 23.4 7 22 A S - 0 0 8 138,-2.8 2,-0.3 55,-0.1 138,-0.1 -0.489 19.0-112.0 -81.6 154.3 -5.0 41.1 25.7 8 23 A V > - 0 0 94 -2,-0.2 3,-2.3 1,-0.1 4,-0.4 -0.666 47.1 -90.6 -80.0 142.4 -7.3 39.0 27.7 9 24 A R T 3 S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.305 113.0 9.8 -54.5 128.1 -7.2 39.5 31.5 10 25 A G T 3 S+ 0 0 37 98,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.478 90.8 122.0 81.6 1.5 -4.6 37.2 33.0 11 26 A E S < S+ 0 0 64 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.879 84.6 28.7 -60.0 -41.6 -3.3 36.1 29.6 12 27 A W S > S+ 0 0 13 -4,-0.4 3,-2.3 1,-0.1 -1,-0.3 -0.618 72.3 168.3-123.2 70.6 0.2 37.2 30.5 13 28 A P T 3 S+ 0 0 12 0, 0.0 97,-0.8 0, 0.0 47,-0.3 0.585 75.9 58.8 -68.2 -12.6 0.4 36.8 34.3 14 29 A W T 3 S+ 0 0 1 95,-0.2 19,-2.4 97,-0.1 2,-0.3 0.588 84.7 103.3 -85.8 -13.5 4.2 37.3 34.3 15 30 A Q E < +J 32 0C 4 -3,-2.3 45,-0.5 17,-0.2 46,-0.4 -0.547 49.8 177.3 -73.9 126.9 3.7 40.8 32.7 16 31 A V E -JK 31 59C 2 15,-2.5 15,-1.2 -2,-0.3 2,-0.5 -0.890 25.6-129.5-127.7 160.7 4.1 43.7 35.1 17 32 A T E -JK 30 58C 0 41,-2.0 41,-1.9 -2,-0.3 2,-0.5 -0.952 16.4-146.0-113.5 121.1 4.0 47.5 34.7 18 33 A L E -JK 29 57C 4 11,-3.1 10,-3.3 -2,-0.5 11,-0.9 -0.729 20.7-166.3 -87.4 128.2 6.9 49.6 36.2 19 34 A H E -JK 27 56C 9 37,-2.9 37,-2.2 -2,-0.5 2,-0.4 -0.888 11.9-151.4-119.7 148.4 5.7 53.0 37.5 20 35 A T E -JK 26 55C 9 6,-2.4 6,-1.2 -2,-0.4 35,-0.2 -0.960 6.8-158.6-119.1 136.5 7.6 56.1 38.5 21 36 A T + 0 0 47 33,-2.0 4,-0.4 -2,-0.4 34,-0.1 0.306 53.6 124.9 -93.9 4.7 6.3 58.5 41.1 22 37 A S S S- 0 0 69 32,-0.3 2,-0.2 2,-0.3 4,-0.0 -0.969 91.6 -15.4-124.2 124.8 8.5 61.4 39.8 23 37AA P S S- 0 0 111 0, 0.0 2,-0.4 0, 0.0 3,-0.0 -0.705 144.8 -15.2 -72.1 -48.0 7.3 63.8 39.0 24 37BA T S S- 0 0 106 -2,-0.2 -2,-0.3 1,-0.1 -4,-0.2 -0.938 87.9 -84.0-117.5 138.9 3.8 62.2 38.9 25 37CA Q + 0 0 66 -2,-0.4 2,-0.3 -4,-0.4 -4,-0.2 0.048 66.2 147.9 -36.5 137.4 3.1 58.5 38.9 26 37DA R E -J 20 0C 130 -6,-1.2 -6,-2.4 -4,-0.0 2,-0.4 -0.973 53.4 -78.5-170.3 158.8 3.3 57.1 35.4 27 38 A H E +J 19 0C 9 -2,-0.3 -8,-0.2 -8,-0.2 3,-0.1 -0.533 45.8 165.8 -67.2 124.4 4.1 54.1 33.3 28 39 A L E - 0 0 31 -10,-3.3 2,-0.3 1,-0.4 -9,-0.2 0.838 55.3 -26.8-104.4 -60.4 7.9 53.8 32.8 29 40 A a E -J 18 0C 7 -11,-0.9 -11,-3.1 158,-0.1 -1,-0.4 -0.916 57.4-103.4-150.6 173.5 8.7 50.4 31.5 30 41 A G E +J 17 0C 2 158,-3.9 12,-0.5 -2,-0.3 2,-0.3 -0.455 34.1 174.6 -97.2 176.5 7.6 46.8 31.3 31 42 A G E -J 16 0C 1 -15,-1.2 -15,-2.5 -2,-0.2 2,-0.4 -0.983 22.8-123.2-171.9 167.2 8.9 43.7 33.2 32 43 A S E -JL 15 40C 2 8,-2.3 8,-3.1 -2,-0.3 2,-0.5 -0.985 20.0-127.7-129.5 133.3 8.4 40.0 33.9 33 44 A I E + L 0 39C 0 -19,-2.4 79,-2.5 -2,-0.4 6,-0.2 -0.649 36.6 159.8 -72.6 123.0 8.0 38.1 37.1 34 45 A I E + 0 0 29 4,-2.2 2,-0.3 -2,-0.5 -1,-0.2 0.404 66.5 7.6-123.4 -5.6 10.6 35.3 37.2 35 46 A G E > S- L 0 38C 16 3,-1.2 3,-1.5 75,-0.0 -1,-0.4 -0.962 87.5 -88.3-167.0 169.2 10.6 34.6 40.9 36 47 A N T 3 S+ 0 0 80 1,-0.3 67,-3.4 -2,-0.3 65,-0.0 0.694 127.8 20.2 -63.1 -20.1 8.6 35.6 44.1 37 48 A Q T 3 S+ 0 0 52 65,-0.2 62,-2.5 63,-0.0 2,-0.4 0.140 112.2 90.8-129.7 16.6 10.8 38.6 44.7 38 51 A W E < -LM 35 98C 35 -3,-1.5 -4,-2.2 60,-0.2 -3,-1.2 -0.960 43.9-175.5-131.7 126.3 12.3 39.2 41.3 39 52 A I E -LM 33 97C 2 58,-2.1 58,-2.4 -2,-0.4 2,-0.5 -0.958 16.5-150.5-111.3 130.7 11.3 41.2 38.2 40 53 A L E +LM 32 96C 1 -8,-3.1 -8,-2.3 -2,-0.5 2,-0.2 -0.890 37.0 136.0-100.5 131.4 13.4 40.8 35.0 41 54 A T E - M 0 95C 1 54,-2.4 54,-2.0 -2,-0.5 2,-0.4 -0.767 52.9 -58.8-153.3-168.2 13.5 43.9 32.8 42 55 A A > - 0 0 0 -12,-0.5 3,-0.7 52,-0.2 52,-0.2 -0.734 27.8-145.8 -93.7 138.3 15.7 46.3 30.7 43 56 A A G > S+ 0 0 4 -2,-0.4 3,-2.0 1,-0.2 -1,-0.1 0.859 98.5 62.4 -62.6 -38.3 18.7 48.1 32.2 44 57 A H G > S+ 0 0 44 1,-0.3 3,-1.3 2,-0.1 -1,-0.2 0.672 86.1 77.2 -69.3 -13.3 18.2 51.2 30.0 45 58 A a G < S+ 0 0 7 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.660 87.1 60.5 -65.2 -16.3 14.8 51.6 31.6 46 59 A F G X + 0 0 17 -3,-2.0 3,-1.6 -4,-0.1 2,-0.4 0.103 68.0 141.6-106.1 23.9 16.6 53.1 34.6 47 59AA Y T < S+ 0 0 218 -3,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.502 80.4 8.5 -63.5 121.3 18.2 56.1 32.9 48 59BA G T 3 S+ 0 0 64 -2,-0.4 2,-0.7 1,-0.3 -1,-0.3 0.308 94.3 132.6 89.8 -10.3 18.0 59.0 35.2 49 59CA V < + 0 0 31 -3,-1.6 -1,-0.3 1,-0.2 -3,-0.0 -0.675 26.1 173.1 -81.3 113.2 16.7 56.9 38.1 50 60 A E + 0 0 198 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.684 65.6 23.0 -93.7 -21.6 18.8 57.7 41.2 51 61 A S > - 0 0 33 1,-0.1 3,-1.0 27,-0.0 -1,-0.2 -0.998 61.8-136.0-147.7 144.0 16.8 55.7 43.7 52 62 A P G > S+ 0 0 35 0, 0.0 3,-1.9 0, 0.0 24,-0.5 0.596 93.7 87.2 -72.0 -9.6 14.5 52.6 43.7 53 63 A K G 3 S+ 0 0 181 1,-0.3 24,-0.0 22,-0.1 23,-0.0 0.729 83.4 54.5 -64.1 -23.0 12.3 54.6 46.1 54 64 A I G < S+ 0 0 46 -3,-1.0 -33,-2.0 -34,-0.1 2,-0.3 0.363 93.4 96.4 -91.2 5.3 10.5 56.2 43.1 55 65 A L E < -K 20 0C 3 -3,-1.9 21,-0.6 -35,-0.2 2,-0.4 -0.761 47.2-178.2-101.7 142.1 9.6 52.8 41.6 56 66 A R E -KN 19 75C 65 -37,-2.2 -37,-2.9 -2,-0.3 2,-0.5 -0.990 12.4-153.7-136.4 128.5 6.4 50.9 41.9 57 67 A V E -KN 18 74C 1 17,-2.7 17,-3.0 -2,-0.4 2,-0.5 -0.897 8.9-165.4-103.1 123.7 5.7 47.4 40.4 58 68 A Y E -K 17 0C 1 -41,-1.9 -41,-2.0 -2,-0.5 3,-0.3 -0.938 6.9-170.7-109.3 127.4 2.1 46.5 39.6 59 69 A S E +K 16 0C 19 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.738 63.5 30.5-110.1 160.0 1.3 42.9 38.9 60 70 A G S S+ 0 0 21 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.771 83.3 147.8 69.0 25.6 -2.0 41.3 37.7 61 71 A I + 0 0 19 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.779 24.5 162.5 -98.2 135.9 -2.8 44.4 35.7 62 72 A L S S+ 0 0 19 -2,-0.4 83,-2.2 1,-0.4 2,-0.4 0.694 74.9 35.1-105.0 -54.3 -4.7 44.5 32.4 63 73 A N B > -P 144 0D 35 81,-0.2 3,-2.3 1,-0.1 -1,-0.4 -0.860 68.8-140.2-106.1 133.7 -5.8 48.1 32.3 64 74 A Q G > S+ 0 0 29 79,-2.7 3,-2.1 -2,-0.4 -1,-0.1 0.787 102.1 73.7 -56.6 -26.3 -3.7 51.0 33.6 65 75 A A G 3 S+ 0 0 76 1,-0.3 -1,-0.3 78,-0.2 79,-0.1 0.683 81.4 68.9 -63.3 -18.5 -7.1 52.4 34.8 66 76 A E G < S+ 0 0 57 -3,-2.3 2,-0.7 1,-0.1 -1,-0.3 0.698 84.9 87.9 -68.2 -19.5 -6.9 49.7 37.5 67 77 A I < + 0 0 26 -3,-2.1 2,-0.2 -4,-0.3 -1,-0.1 -0.743 53.5 142.3 -93.2 113.5 -4.1 51.7 39.0 68 78 A A > - 0 0 48 -2,-0.7 3,-2.0 4,-0.1 -2,-0.0 -0.759 67.3 -81.1-133.2-178.1 -5.0 54.4 41.4 69 79 A E T 3 S+ 0 0 194 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.787 129.4 47.7 -57.0 -29.2 -3.7 55.9 44.7 70 80 A D T 3 S+ 0 0 143 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.255 85.2 113.8 -98.3 11.0 -5.3 53.1 46.6 71 81 A T S < S- 0 0 32 -3,-2.0 -4,-0.1 1,-0.1 2,-0.0 -0.702 70.3-117.7 -87.2 133.0 -4.0 50.2 44.4 72 81AA S + 0 0 109 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.334 40.4 171.4 -68.2 148.7 -1.6 47.9 46.0 73 82 A F - 0 0 80 -15,-0.1 2,-0.5 -2,-0.0 -15,-0.2 -0.938 33.9-105.7-148.2 168.5 1.9 47.7 44.5 74 83 A F E -N 57 0C 27 -17,-3.0 -17,-2.7 -2,-0.3 2,-0.1 -0.895 30.3-138.1-101.3 128.2 5.4 46.2 45.2 75 84 A G E -N 56 0C 8 -2,-0.5 25,-2.6 -19,-0.2 2,-0.6 -0.424 19.9-120.0 -72.9 159.0 8.1 48.5 46.3 76 85 A V E -O 99 0C 3 -21,-0.6 23,-0.2 -24,-0.5 -21,-0.2 -0.921 25.9-178.6-106.9 121.7 11.6 48.0 44.8 77 86 A Q E S+ 0 0 91 21,-2.8 2,-0.3 -2,-0.6 22,-0.2 0.821 70.0 4.7 -85.4 -35.4 14.4 47.2 47.3 78 87 A E E -O 98 0C 87 20,-1.5 20,-2.5 -26,-0.1 2,-0.5 -0.978 54.7-145.6-156.2 137.9 17.2 47.1 44.8 79 88 A I E -O 97 0C 39 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.917 18.9-163.9 -99.9 124.3 17.9 47.7 41.1 80 89 A I E -O 96 0C 18 16,-3.2 16,-2.5 -2,-0.5 2,-0.4 -0.918 7.0-173.2-114.0 108.4 20.5 45.4 39.7 81 90 A I E -O 95 0C 53 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.791 36.1-100.2 -98.3 139.6 22.0 46.5 36.4 82 91 A H > - 0 0 18 12,-1.8 3,-1.8 -2,-0.4 12,-0.1 -0.359 28.5-131.8 -57.0 132.9 24.4 44.2 34.4 83 92 A D T 3 S+ 0 0 142 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.704 105.0 50.0 -63.8 -19.8 28.0 45.4 35.1 84 93 A Q T 3 S+ 0 0 115 8,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.434 82.9 115.7 -98.3 -1.5 28.7 45.4 31.3 85 94 A Y < + 0 0 51 -3,-1.8 7,-0.1 1,-0.2 3,-0.1 -0.539 20.8 150.3 -76.6 131.6 25.7 47.3 30.2 86 95 A K S S- 0 0 175 5,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.583 70.3 -10.6-126.5 -35.2 26.4 50.7 28.6 87 96 A M >> - 0 0 91 4,-0.5 3,-2.9 1,-0.1 4,-0.6 -0.921 62.3-112.7-168.4 145.4 23.5 51.2 26.2 88 97 A A G >4 S+ 0 0 14 1,-0.3 3,-2.3 -2,-0.3 5,-0.3 0.880 118.3 54.0 -45.1 -50.9 20.6 49.1 24.8 89 98 A E G 34 S+ 0 0 94 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.600 106.9 54.7 -65.3 -10.5 22.2 49.2 21.3 90 99 A S G <4 S- 0 0 72 -3,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.491 110.6-123.2 -98.5 -7.3 25.4 47.8 22.9 91 100 A G S << S+ 0 0 6 -3,-2.3 -5,-0.5 -4,-0.6 -4,-0.5 -0.420 82.4 94.6 95.2-175.3 23.8 44.8 24.5 92 101 A Y + 0 0 56 1,-0.2 2,-2.1 78,-0.2 -10,-0.3 0.744 49.0 158.3 59.5 22.6 23.7 43.7 28.1 93 102 A D + 0 0 0 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.530 29.7 113.9 -80.6 77.9 20.4 45.5 28.3 94 103 A I + 0 0 0 -2,-2.1 -12,-1.8 -52,-0.2 2,-0.3 -0.997 34.5 168.7-151.8 144.9 19.2 43.5 31.3 95 104 A A E -MO 41 81C 0 -54,-2.0 -54,-2.4 -2,-0.3 2,-0.4 -0.989 22.0-137.0-155.1 153.2 18.4 44.3 35.0 96 105 A L E -MO 40 80C 0 -16,-2.5 -16,-3.2 -2,-0.3 2,-0.6 -0.933 8.0-152.8-114.7 140.2 16.8 42.7 38.0 97 106 A L E -MO 39 79C 0 -58,-2.4 -58,-2.1 -2,-0.4 2,-0.6 -0.968 8.8-153.8-109.0 117.6 14.4 44.4 40.4 98 107 A K E -MO 38 78C 45 -20,-2.5 -21,-2.8 -2,-0.6 -20,-1.5 -0.831 22.2-136.2 -86.6 119.3 14.5 42.9 43.9 99 108 A L E - 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