==== 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 13-MAY-05 1ZOM . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIN,H.DENG,L.JIN,P.PANDEY,M.RYNKIEWICZ,F.BIBBINS,S.CANTIN, . 237 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 65.0 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 . 72 30.4 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 . 27 11.4 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 . 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 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 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,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.1 3.1 47.2 20.5 2 17 A V B +A 182 0A 23 180,-3.5 180,-1.4 1,-0.2 134,-0.1 -0.777 360.0 3.4 -97.3 139.7 2.5 47.9 16.8 3 18 A G S S+ 0 0 44 -2,-0.4 -1,-0.2 132,-0.3 2,-0.1 0.695 101.9 124.0 64.4 20.6 0.0 45.8 14.9 4 19 A G - 0 0 20 -3,-0.4 2,-0.3 178,-0.1 144,-0.2 -0.248 51.3-127.9-100.0-169.6 -1.1 43.8 17.9 5 20 A T E -B 147 0B 82 142,-2.4 142,-2.2 -3,-0.1 2,-0.1 -0.901 36.5 -74.6-136.3 166.5 -4.4 43.2 19.6 6 21 A A E -B 146 0B 56 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.354 50.4-126.1 -62.8 135.0 -5.9 43.4 23.1 7 22 A S - 0 0 7 138,-2.8 2,-0.3 55,-0.1 -1,-0.1 -0.400 19.6-110.3 -80.3 157.6 -4.7 40.7 25.4 8 23 A V > - 0 0 95 -2,-0.1 3,-2.3 1,-0.1 4,-0.3 -0.701 48.6 -93.7 -83.6 141.6 -7.1 38.4 27.4 9 24 A R T 3 S+ 0 0 135 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.336 111.7 10.6 -57.3 130.8 -6.9 39.2 31.1 10 25 A G T 3 S+ 0 0 39 98,-0.1 -1,-0.3 51,-0.1 4,-0.1 0.439 91.1 121.1 79.9 -0.4 -4.4 37.0 32.8 11 26 A E S < S+ 0 0 63 -3,-2.3 -2,-0.1 1,-0.3 3,-0.1 0.783 83.7 31.3 -65.2 -29.1 -3.1 35.7 29.5 12 27 A W S > S+ 0 0 13 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.515 72.9 170.4-129.4 63.7 0.5 36.9 30.3 13 28 A P T 3 S+ 0 0 10 0, 0.0 97,-0.7 0, 0.0 47,-0.4 0.607 74.2 58.3 -50.9 -18.7 0.6 36.6 34.1 14 29 A W T 3 S+ 0 0 1 95,-0.2 19,-2.5 97,-0.1 2,-0.3 0.650 82.8 102.7 -89.0 -14.8 4.4 37.3 34.3 15 30 A Q E < -J 32 0C 5 -3,-2.3 45,-0.5 17,-0.2 46,-0.4 -0.497 49.4-179.8 -71.9 128.2 4.0 40.7 32.6 16 31 A V E -J 31 0C 2 15,-2.1 15,-1.2 -2,-0.3 2,-0.5 -0.855 24.7-131.7-123.6 162.1 4.2 43.6 35.0 17 32 A T E -JK 30 58C 0 41,-2.0 41,-2.2 -2,-0.3 2,-0.6 -0.980 19.0-149.7-115.7 122.7 4.0 47.4 34.4 18 33 A L E -JK 29 57C 2 11,-3.2 10,-3.6 -2,-0.5 11,-1.7 -0.845 17.0-169.5 -96.9 119.0 6.8 49.4 36.0 19 34 A H E -JK 27 56C 9 37,-3.0 37,-2.0 -2,-0.6 2,-0.4 -0.707 14.2-150.2-106.4 157.9 5.8 52.9 37.0 20 35 A T E -JK 26 55C 6 6,-2.2 6,-1.9 -2,-0.3 35,-0.2 -0.945 6.4-153.0-120.2 145.4 7.8 55.9 38.2 21 36 A T + 0 0 43 33,-2.2 4,-0.3 -2,-0.4 34,-0.1 0.427 51.7 131.2 -98.0 2.0 6.2 58.4 40.5 22 37 A S S S- 0 0 61 32,-0.3 2,-0.1 2,-0.1 4,-0.1 -0.909 85.1 -11.3-113.2 128.9 8.4 61.3 39.3 23 37AA P S S- 0 0 113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.880 144.9 -22.4 -74.2 -37.4 7.3 63.9 38.6 24 37BA T S S- 0 0 107 -2,-0.1 -4,-0.1 -4,-0.1 -2,-0.1 -0.922 91.0 -75.9-128.2 156.0 3.8 62.4 38.7 25 37CA Q + 0 0 71 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.236 62.1 146.7 -61.8 135.1 3.0 58.7 38.3 26 37DA R E -J 20 0C 123 -6,-1.9 -6,-2.2 -4,-0.1 2,-0.2 -0.982 53.1 -84.6-160.3 158.6 3.2 57.1 34.8 27 38 A H E +J 19 0C 10 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.501 42.5 172.6 -68.4 135.2 4.1 53.8 33.1 28 39 A L E - 0 0 34 -10,-3.6 2,-0.3 1,-0.4 -9,-0.2 0.776 54.2 -20.8-110.3 -51.6 7.9 53.6 32.5 29 40 A a E -J 18 0C 5 -11,-1.7 -11,-3.2 158,-0.1 -1,-0.4 -0.944 57.7-106.1-154.5 171.6 8.7 50.1 31.3 30 41 A G E +J 17 0C 0 158,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.512 37.0 176.0 -97.4 172.0 7.5 46.5 31.0 31 42 A G E -J 16 0C 0 -15,-1.2 -15,-2.1 -2,-0.2 2,-0.4 -0.971 22.8-121.0-165.9 171.7 9.0 43.6 33.0 32 43 A S E -JL 15 40C 2 8,-2.0 8,-2.9 -2,-0.3 2,-0.5 -0.988 17.5-129.5-132.0 133.2 8.7 39.9 33.8 33 44 A I E + L 0 39C 1 -19,-2.5 79,-2.4 -2,-0.4 6,-0.2 -0.658 38.4 156.4 -76.5 122.2 8.1 38.1 37.1 34 45 A I E + 0 0 29 4,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.410 65.6 17.2-123.7 -6.3 10.8 35.4 37.3 35 46 A G E > S- L 0 38C 15 3,-1.3 3,-1.5 75,-0.1 -1,-0.4 -0.976 86.5 -96.2-160.4 159.8 10.9 34.9 41.1 36 47 A N T 3 S+ 0 0 79 -2,-0.3 67,-3.3 1,-0.3 65,-0.1 0.699 128.2 19.6 -55.1 -20.7 8.7 35.7 44.1 37 48 A Q T 3 S+ 0 0 50 65,-0.2 62,-2.3 63,-0.0 2,-0.4 0.144 113.0 91.2-134.6 17.4 10.8 38.8 44.7 38 51 A W E < -LM 35 98C 32 -3,-1.5 -4,-2.4 60,-0.2 -3,-1.3 -0.955 43.4-174.9-130.7 131.6 12.3 39.3 41.3 39 52 A I E -LM 33 97C 2 58,-2.0 58,-2.3 -2,-0.4 2,-0.5 -0.960 16.3-150.1-116.2 129.7 11.5 41.2 38.1 40 53 A L E +LM 32 96C 1 -8,-2.9 -8,-2.0 -2,-0.5 2,-0.2 -0.884 36.6 141.8 -99.4 128.0 13.6 40.8 35.0 41 54 A T E - M 0 95C 0 54,-2.8 54,-2.5 -2,-0.5 2,-0.4 -0.739 50.7 -64.8-147.1-167.8 13.6 44.0 32.9 42 55 A A > - 0 0 0 -12,-0.4 3,-1.1 52,-0.3 52,-0.2 -0.747 28.8-143.6 -95.9 138.6 15.8 46.2 30.7 43 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.860 98.7 60.7 -64.6 -39.3 18.8 48.2 32.1 44 57 A H G > S+ 0 0 42 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.540 86.9 79.8 -68.9 -4.8 18.3 51.2 29.8 45 58 A a G < S+ 0 0 7 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.577 85.7 60.0 -77.2 -9.4 14.9 51.6 31.4 46 59 A F G X + 0 0 19 -3,-1.8 3,-1.5 -4,-0.1 2,-0.6 -0.074 68.4 142.1-110.0 31.5 16.5 53.2 34.5 47 59AA Y T < S+ 0 0 215 -3,-0.9 3,-0.1 1,-0.3 -3,-0.0 -0.652 78.7 10.8 -76.9 117.6 18.1 56.2 32.7 48 59BA G T 3 S+ 0 0 68 -2,-0.6 2,-0.9 1,-0.2 -1,-0.3 0.537 94.8 131.9 92.2 7.9 17.8 59.2 35.0 49 59CA V < + 0 0 31 -3,-1.5 -1,-0.2 1,-0.2 -3,-0.0 -0.812 25.6 170.9 -98.9 101.8 16.7 57.0 37.9 50 60 A E + 0 0 199 -2,-0.9 -1,-0.2 1,-0.2 -4,-0.0 0.711 66.2 25.8 -82.2 -22.6 18.7 57.9 41.0 51 61 A S > - 0 0 35 1,-0.1 3,-0.9 27,-0.0 -1,-0.2 -0.996 60.7-137.3-145.5 148.6 16.7 55.8 43.5 52 62 A P G > S+ 0 0 34 0, 0.0 3,-1.7 0, 0.0 24,-0.5 0.644 93.1 85.7 -76.1 -9.9 14.4 52.7 43.5 53 63 A K G 3 S+ 0 0 178 1,-0.3 24,-0.0 22,-0.1 25,-0.0 0.712 84.1 54.3 -62.5 -23.6 12.1 54.7 45.9 54 64 A I G < S+ 0 0 46 -3,-0.9 -33,-2.2 -34,-0.1 -32,-0.3 0.431 92.7 96.6 -91.4 1.0 10.3 56.3 42.9 55 65 A L E < -K 20 0C 4 -3,-1.7 21,-0.6 -35,-0.2 2,-0.4 -0.680 48.5-175.7 -95.4 147.0 9.5 52.9 41.3 56 66 A R E -KN 19 75C 65 -37,-2.0 -37,-3.0 -2,-0.3 2,-0.6 -0.988 11.4-153.4-141.3 126.7 6.3 50.9 41.6 57 67 A V E -KN 18 74C 1 17,-2.7 17,-2.8 -2,-0.4 2,-0.5 -0.900 9.2-167.1-106.1 121.5 5.7 47.4 40.2 58 68 A Y E -K 17 0C 1 -41,-2.2 -41,-2.0 -2,-0.6 3,-0.3 -0.933 6.4-172.5-110.4 123.6 2.1 46.4 39.4 59 69 A S + 0 0 18 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.659 63.1 32.9-107.4 165.3 1.3 42.8 38.7 60 70 A G S S+ 0 0 22 -45,-0.5 2,-0.4 48,-0.4 -1,-0.2 0.802 83.3 147.0 61.2 31.3 -1.9 41.2 37.4 61 71 A I + 0 0 23 -46,-0.4 -1,-0.2 -3,-0.3 -51,-0.1 -0.799 24.9 162.9-103.6 142.2 -2.8 44.2 35.3 62 72 A L S S+ 0 0 20 1,-0.4 83,-2.1 -2,-0.4 2,-0.4 0.668 74.8 32.9-113.9 -57.5 -4.6 44.3 32.0 63 73 A N B > -P 144 0D 34 81,-0.2 3,-2.3 1,-0.1 -1,-0.4 -0.870 69.4-139.2-107.0 135.6 -5.7 47.9 31.7 64 74 A Q G > S+ 0 0 28 79,-2.3 3,-2.3 -2,-0.4 -1,-0.1 0.803 101.7 74.4 -59.2 -27.0 -3.7 50.8 33.0 65 75 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.743 82.2 68.8 -59.2 -21.2 -7.0 52.2 34.1 66 76 A E G < S+ 0 0 57 -3,-2.3 2,-0.7 1,-0.1 -1,-0.3 0.721 82.8 87.7 -70.1 -20.5 -7.0 49.6 36.9 67 77 A I < + 0 0 24 -3,-2.3 2,-0.2 -4,-0.3 -1,-0.1 -0.734 54.7 149.6 -88.7 112.6 -4.1 51.5 38.5 68 78 A A > - 0 0 48 -2,-0.7 3,-1.7 4,-0.1 -2,-0.0 -0.687 63.3 -86.8-127.1-179.1 -5.3 54.2 40.9 69 79 A E T 3 S+ 0 0 195 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.824 127.9 50.4 -62.5 -30.3 -3.9 55.8 44.1 70 80 A D T 3 S+ 0 0 146 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.299 85.4 113.5 -90.8 9.1 -5.6 53.1 46.1 71 81 A T < - 0 0 32 -3,-1.7 2,-0.1 1,-0.1 -4,-0.1 -0.669 69.3-120.5 -84.4 134.3 -4.2 50.2 44.1 72 81AA S + 0 0 109 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.411 38.6 172.3 -71.8 148.4 -1.6 47.9 45.8 73 82 A F - 0 0 78 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.918 33.8-103.4-147.9 171.3 1.9 47.7 44.3 74 83 A F E -N 57 0C 29 -17,-2.8 -17,-2.7 -2,-0.3 2,-0.1 -0.887 31.1-139.1-104.9 128.3 5.3 46.2 45.0 75 84 A G E -N 56 0C 9 -2,-0.5 25,-2.4 -19,-0.2 2,-0.6 -0.450 19.0-120.6 -79.1 159.3 8.0 48.6 46.1 76 85 A V E -O 99 0C 3 -21,-0.6 23,-0.3 -24,-0.5 -21,-0.2 -0.914 25.2-177.9-107.3 118.0 11.5 48.1 44.7 77 86 A Q E S+ 0 0 92 21,-2.8 2,-0.3 -2,-0.6 22,-0.2 0.823 70.7 5.1 -80.9 -33.9 14.2 47.4 47.2 78 87 A E E -O 98 0C 88 20,-1.5 20,-2.8 -26,-0.1 2,-0.6 -0.981 55.2-145.9-157.7 141.0 17.1 47.4 44.7 79 88 A I E -O 97 0C 38 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.933 19.0-164.9-106.2 121.3 17.9 47.9 41.1 80 89 A I E -O 96 0C 17 16,-3.3 16,-2.7 -2,-0.6 2,-0.4 -0.916 5.6-173.1-113.8 108.4 20.6 45.6 39.7 81 90 A I E -O 95 0C 60 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.838 36.5-101.9-100.6 134.5 22.1 46.7 36.4 82 91 A H > - 0 0 13 12,-1.7 3,-2.1 -2,-0.4 12,-0.1 -0.306 30.3-129.5 -54.1 129.2 24.5 44.4 34.6 83 92 A D T 3 S+ 0 0 132 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.645 105.4 53.6 -58.8 -17.5 28.0 45.8 35.2 84 93 A Q T 3 S+ 0 0 102 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.483 81.8 117.1 -96.8 -3.2 28.8 45.7 31.5 85 94 A Y < + 0 0 57 -3,-2.1 7,-0.1 7,-0.2 3,-0.1 -0.446 18.6 147.9 -69.6 135.6 25.8 47.7 30.4 86 95 A K S S- 0 0 170 5,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.520 70.8 -13.3-130.0 -46.0 26.4 51.1 28.8 87 96 A M >> - 0 0 93 4,-0.4 3,-2.3 1,-0.1 4,-0.6 -0.965 63.0-107.5-164.0 148.4 23.5 51.4 26.3 88 97 A A G >4 S+ 0 0 14 -2,-0.3 3,-1.9 1,-0.3 5,-0.3 0.863 115.1 53.5 -40.1 -56.9 20.8 49.3 24.8 89 98 A E G 34 S+ 0 0 94 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.608 106.4 54.6 -61.8 -13.4 22.3 49.1 21.3 90 99 A S G <4 S- 0 0 73 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.497 111.1-116.3 -98.0 -6.6 25.6 47.8 22.7 91 100 A G S << S+ 0 0 5 -3,-1.9 -5,-0.5 -4,-0.6 -4,-0.4 -0.457 84.8 91.6 103.0-178.2 24.1 44.8 24.6 92 101 A Y + 0 0 53 1,-0.2 2,-2.2 78,-0.2 -10,-0.3 0.746 48.0 158.5 57.8 24.9 23.8 43.8 28.2 93 102 A D + 0 0 0 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.511 31.1 114.8 -81.2 75.8 20.5 45.6 28.3 94 103 A I + 0 0 0 -2,-2.2 -12,-1.7 -52,-0.2 2,-0.3 -0.998 36.0 172.9-147.5 140.9 19.3 43.6 31.3 95 104 A A E -MO 41 81C 0 -54,-2.5 -54,-2.8 -2,-0.3 2,-0.4 -0.991 20.4-140.0-148.4 153.7 18.4 44.5 34.9 96 105 A L E -MO 40 80C 0 -16,-2.7 -16,-3.3 -2,-0.3 2,-0.5 -0.931 9.0-155.1-116.2 139.8 16.9 42.8 38.0 97 106 A L E -MO 39 79C 0 -58,-2.3 -58,-2.0 -2,-0.4 2,-0.7 -0.971 7.4-153.4-114.8 119.8 14.5 44.5 40.4 98 107 A K E -MO 38 78C 47 -20,-2.8 -21,-2.8 -2,-0.5 -20,-1.5 -0.860 20.4-138.2 -94.2 116.1 14.5 43.1 43.9 99 108 A L E - 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