==== 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 28-APR-05 1ZJD . COMPND 2 MOLECULE: CATALYTIC DOMAIN OF COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.JIN,D.NAVANEETHAM,P.PANDEY,J.E.STRICKLER,R.E.BABINE, . 294 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 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 . 5 3 2 5 2 1 1 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 1 0 0 1 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 136.0 45.7 50.8 21.1 2 17 A V B +A 182 0A 16 180,-3.6 180,-1.6 1,-0.2 134,-0.1 -0.862 360.0 6.2-108.7 138.4 42.9 53.0 22.2 3 18 A G S S+ 0 0 41 -2,-0.4 -1,-0.2 132,-0.4 2,-0.1 0.759 102.8 118.4 70.0 25.9 42.8 55.1 25.4 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 144,-0.1 144,-0.2 -0.374 56.8-118.1-111.8-168.6 46.4 54.3 26.2 5 20 A T E -B 147 0B 82 142,-2.3 142,-2.3 -2,-0.1 -3,-0.0 -0.934 36.8 -82.6-134.3 156.6 49.7 56.1 26.7 6 21 A A E -B 146 0B 51 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.253 45.7-133.7 -57.5 137.1 53.1 56.1 25.1 7 22 A S - 0 0 7 138,-2.6 2,-0.3 55,-0.2 -1,-0.1 -0.561 16.0-117.4 -91.7 159.5 55.4 53.3 26.3 8 23 A V > - 0 0 89 -2,-0.2 3,-2.1 1,-0.1 4,-0.4 -0.658 39.2 -88.2 -96.0 152.4 59.0 53.8 27.3 9 24 A R T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.3 53,-0.1 -0.262 114.0 15.6 -57.0 141.0 61.9 52.1 25.5 10 25 A G T 3 S+ 0 0 42 98,-0.2 -1,-0.3 2,-0.1 99,-0.1 0.486 92.7 116.5 73.3 1.0 62.7 48.7 26.8 11 26 A E S < S+ 0 0 56 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.919 82.7 27.4 -68.4 -44.4 59.4 48.5 28.7 12 27 A W > + 0 0 17 -4,-0.4 3,-1.8 1,-0.1 -1,-0.3 -0.642 69.5 175.3-122.2 74.9 57.9 45.5 26.7 13 28 A P T 3 S+ 0 0 18 0, 0.0 47,-0.4 0, 0.0 97,-0.3 0.697 77.7 54.3 -49.4 -29.6 61.0 43.5 25.6 14 29 A W T 3 S+ 0 0 14 95,-0.2 19,-2.3 97,-0.1 2,-0.3 0.676 83.9 101.6 -85.6 -15.3 58.9 40.7 24.1 15 30 A Q E < +K 32 0C 4 -3,-1.8 46,-0.5 17,-0.2 2,-0.2 -0.518 48.9 176.3 -73.1 126.3 56.8 42.9 21.8 16 31 A V E -K 31 0C 0 15,-2.7 15,-0.9 -2,-0.3 2,-0.5 -0.747 26.5-126.1-123.0 173.2 57.8 42.9 18.2 17 32 A T E -KL 30 58C 0 41,-1.5 41,-2.3 -2,-0.2 2,-0.6 -0.986 16.7-147.7-123.5 124.7 56.4 44.5 15.0 18 33 A L E -KL 29 57C 1 11,-3.4 10,-3.7 -2,-0.5 11,-1.4 -0.823 18.7-170.1 -94.1 121.8 55.6 42.3 12.0 19 34 A H E -KL 27 56C 7 37,-3.6 37,-2.1 -2,-0.6 2,-0.4 -0.795 11.8-152.2-110.0 154.2 56.2 44.1 8.7 20 35 A T E -KL 26 55C 6 6,-1.9 6,-1.5 -2,-0.3 35,-0.2 -0.916 5.4-157.3-118.3 148.1 55.2 43.0 5.2 21 36 A T + 0 0 47 33,-1.7 4,-0.3 -2,-0.4 34,-0.1 0.474 54.1 120.6-102.6 -3.6 57.2 44.1 2.1 22 37 A S S S- 0 0 63 32,-0.3 4,-0.1 1,-0.2 -1,-0.1 -0.949 92.6 -9.3-119.7 133.0 54.3 43.5 -0.3 23 37AA P S S- 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.929 145.0 -25.1 -72.1 -22.8 53.2 45.5 -2.0 24 37BA T S S- 0 0 89 -4,-0.0 2,-0.3 -2,-0.0 -4,-0.2 -0.908 79.1 -75.9-140.9 167.6 55.3 47.8 0.2 25 37CA Q + 0 0 71 -4,-0.3 2,-0.3 -2,-0.3 -4,-0.2 -0.509 66.0 132.5 -72.2 126.5 56.9 47.9 3.7 26 37DA R E -K 20 0C 47 -6,-1.5 -6,-1.9 -2,-0.3 2,-0.2 -0.962 61.7 -80.9-169.7 152.5 54.4 48.6 6.5 27 38 A H E +K 19 0C 9 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.422 43.8 169.7 -61.4 124.5 53.4 47.4 9.9 28 39 A L E - 0 0 5 -10,-3.7 225,-1.9 1,-0.4 2,-0.3 0.807 57.2 -22.9-104.0 -47.2 51.1 44.4 9.5 29 40 A a E -K 18 0C 0 -11,-1.4 -11,-3.4 223,-0.2 -1,-0.4 -0.959 56.7-107.3-157.0 174.6 50.7 43.0 13.0 30 41 A G E +K 17 0C 1 158,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.430 34.7 178.1 -99.7 178.5 52.1 42.7 16.5 31 42 A G E -K 16 0C 0 -15,-0.9 -15,-2.7 -2,-0.1 2,-0.4 -0.952 22.5-121.2-174.8 159.8 53.7 39.6 18.0 32 43 A S E -KM 15 40C 1 8,-2.8 8,-3.2 -2,-0.3 2,-0.6 -0.944 18.4-130.1-120.4 136.9 55.4 38.2 21.1 33 44 A I E + M 0 39C 1 -19,-2.3 79,-2.2 -2,-0.4 6,-0.2 -0.700 37.9 157.4 -79.7 117.9 58.9 36.7 21.4 34 45 A I E + 0 0 27 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.536 67.7 21.8-115.3 -15.5 58.4 33.4 23.3 35 46 A G E > S- M 0 38C 12 3,-1.8 3,-1.3 75,-0.1 -1,-0.3 -0.960 87.0-102.1-146.5 160.8 61.6 31.7 22.1 36 47 A N T 3 S+ 0 0 68 -2,-0.3 67,-3.1 1,-0.3 3,-0.1 0.496 128.5 20.1 -65.5 1.0 65.0 32.9 20.7 37 48 A Q T 3 S+ 0 0 44 65,-0.2 62,-1.9 1,-0.1 2,-0.4 0.155 113.4 90.9-150.8 12.7 63.6 31.9 17.3 38 51 A W E < -MN 35 98C 25 -3,-1.3 -4,-2.6 60,-0.2 -3,-1.8 -0.960 44.8-175.6-128.5 123.8 59.9 31.9 18.0 39 52 A I E -MN 33 97C 2 58,-2.4 58,-2.8 -2,-0.4 2,-0.5 -0.959 15.6-151.2-114.5 122.7 57.3 34.6 17.7 40 53 A L E +MN 32 96C 0 -8,-3.2 -8,-2.8 -2,-0.5 2,-0.2 -0.833 36.5 140.6 -94.2 128.1 53.8 33.8 18.9 41 54 A T E - N 0 95C 0 54,-3.2 54,-2.7 -2,-0.5 2,-0.3 -0.759 50.6 -62.8-148.4-167.5 51.2 35.8 16.9 42 55 A A > - 0 0 0 -12,-0.4 3,-0.6 52,-0.3 52,-0.2 -0.694 28.6-141.7 -93.2 144.1 47.7 35.6 15.4 43 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.867 100.3 59.2 -67.6 -40.8 46.8 33.3 12.5 44 57 A H G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.1 -1,-0.2 0.633 86.0 80.2 -66.4 -11.0 44.6 35.8 10.7 45 58 A a G < S+ 0 0 0 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.774 90.3 53.6 -66.1 -23.8 47.5 38.2 10.5 46 59 A F G X S+ 0 0 11 -3,-1.7 3,-0.6 -4,-0.2 2,-0.4 0.014 74.2 152.7-102.1 29.9 48.7 36.2 7.5 47 59AA Y T < S- 0 0 87 -3,-1.5 3,-0.1 1,-0.3 -3,-0.1 -0.427 79.6 -0.2 -62.0 116.5 45.5 36.5 5.6 48 59BA G T 3 S+ 0 0 49 -2,-0.4 -1,-0.3 1,-0.3 2,-0.2 -0.007 93.6 136.6 94.1 -29.3 46.5 36.2 2.0 49 59CA V < + 0 0 34 -3,-0.6 -1,-0.3 1,-0.2 -3,-0.1 -0.328 26.9 179.0 -57.1 115.3 50.2 35.9 2.7 50 60 A E + 0 0 195 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.855 64.7 27.5 -88.3 -40.1 51.4 33.1 0.4 51 61 A S > - 0 0 40 1,-0.1 3,-1.2 27,-0.0 -1,-0.2 -0.967 63.9-138.1-129.1 142.6 55.1 33.1 1.4 52 62 A P G > S+ 0 0 31 0, 0.0 3,-1.2 0, 0.0 24,-0.6 0.467 90.4 90.2 -73.4 1.0 57.0 34.0 4.6 53 63 A K G 3 S+ 0 0 186 1,-0.3 24,-0.0 22,-0.1 25,-0.0 0.743 80.9 54.5 -69.3 -23.8 59.6 35.7 2.3 54 64 A I G < S+ 0 0 44 -3,-1.2 -33,-1.7 -34,-0.0 -32,-0.3 0.419 92.2 104.2 -90.1 2.8 57.7 39.0 2.4 55 65 A L E < -L 20 0C 5 -3,-1.2 21,-0.6 -35,-0.2 2,-0.4 -0.610 45.4-176.5 -91.7 146.2 57.8 39.0 6.2 56 66 A R E -LO 19 75C 66 -37,-2.1 -37,-3.6 -2,-0.3 2,-0.6 -0.982 9.5-159.5-141.9 126.3 60.0 41.0 8.6 57 67 A V E -LO 18 74C 1 17,-2.3 17,-2.6 -2,-0.4 2,-0.6 -0.928 7.9-164.5-108.5 118.8 60.1 40.8 12.3 58 68 A Y E -L 17 0C 1 -41,-2.3 -41,-1.5 -2,-0.6 3,-0.2 -0.899 7.4-170.6-109.3 113.2 61.6 43.8 14.2 59 69 A S + 0 0 18 -2,-0.6 50,-0.1 1,-0.2 -43,-0.1 -0.370 63.8 30.1 -91.0 172.3 62.6 43.3 17.8 60 70 A G S S+ 0 0 24 48,-0.5 2,-0.4 -47,-0.4 -1,-0.2 0.919 84.7 148.8 41.8 64.1 63.6 46.0 20.3 61 71 A I + 0 0 21 -46,-0.5 -1,-0.2 -3,-0.2 3,-0.1 -0.978 26.4 161.1-130.5 143.5 61.5 48.7 18.7 62 72 A L S S+ 0 0 19 -2,-0.4 83,-2.7 1,-0.3 2,-0.5 0.635 74.1 37.8-122.6 -44.0 59.7 51.7 20.3 63 73 A N B > -Q 144 0D 36 81,-0.2 3,-3.0 1,-0.1 -1,-0.3 -0.964 66.4-143.7-119.7 122.5 59.1 54.1 17.3 64 74 A Q G > S+ 0 0 29 79,-3.0 3,-2.1 -2,-0.5 -1,-0.1 0.811 101.2 71.7 -50.8 -28.9 58.1 52.8 13.9 65 75 A A G 3 S+ 0 0 67 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.787 81.6 72.0 -57.6 -28.6 60.2 55.6 12.6 66 76 A E G < S+ 0 0 51 -3,-3.0 2,-0.4 77,-0.2 -1,-0.3 0.680 77.2 95.7 -63.0 -18.7 63.3 53.7 13.8 67 77 A I < + 0 0 22 -3,-2.1 2,-0.2 -4,-0.3 -6,-0.0 -0.636 51.1 150.3 -80.0 128.2 62.8 51.2 10.9 68 78 A K - 0 0 133 -2,-0.4 -2,-0.0 4,-0.1 -3,-0.0 -0.768 61.4 -86.0-140.8-174.7 64.9 52.1 7.8 69 79 A E S S+ 0 0 193 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.825 128.9 43.3 -68.5 -32.2 66.5 50.3 4.9 70 80 A D S S+ 0 0 132 2,-0.1 -1,-0.2 -3,-0.0 -3,-0.1 0.710 87.5 116.0 -84.7 -23.8 69.7 49.6 7.0 71 81 A T - 0 0 32 1,-0.1 2,-0.1 -5,-0.1 -4,-0.1 -0.207 68.5-121.5 -52.6 129.6 67.7 48.6 10.1 72 81AA S + 0 0 109 -13,-0.0 2,-0.3 -5,-0.0 -13,-0.1 -0.418 38.8 166.7 -74.9 148.3 68.3 44.9 11.0 73 82 A F - 0 0 78 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.904 35.7-103.2-150.3 175.5 65.4 42.5 11.2 74 83 A F E -O 57 0C 28 -17,-2.6 -17,-2.3 -2,-0.3 2,-0.2 -0.931 29.4-139.5-111.9 129.1 64.6 38.8 11.5 75 84 A G E -O 56 0C 12 -2,-0.5 25,-2.3 -19,-0.2 2,-0.5 -0.525 20.4-119.8 -82.0 153.8 63.4 37.0 8.4 76 85 A V E -P 99 0C 5 -24,-0.6 23,-0.3 -21,-0.6 -21,-0.2 -0.831 24.4-176.5 -98.4 131.0 60.7 34.4 8.8 77 86 A Q E S+ 0 0 90 21,-3.3 2,-0.3 -2,-0.5 22,-0.2 0.748 70.6 5.7 -93.6 -29.3 61.6 30.8 7.8 78 87 A E E -P 98 0C 87 20,-1.3 20,-2.7 -26,-0.1 2,-0.7 -0.956 55.6-143.3-161.2 138.7 58.1 29.3 8.4 79 88 A I E -P 97 0C 38 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.900 20.9-165.0-103.0 112.7 54.6 30.3 9.3 80 89 A I E -P 96 0C 13 16,-3.3 16,-3.2 -2,-0.7 2,-0.4 -0.886 8.2-176.3-104.4 114.3 53.0 27.7 11.5 81 90 A I E -P 95 0C 57 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.903 36.6 -97.3-112.8 136.6 49.2 28.1 11.8 82 91 A H > - 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