==== 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 24-MAY-05 1ZSK . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.GUO,T.BANNISTER,R.NOLL,L.JIN,M.RYNKIEWICZ,F.BIBBINS, . 238 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 64.7 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 30.7 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 . 29 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 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 2 0 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 1 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.9 13.3 63.7 81.2 2 17 A V B +A 182 0A 21 180,-3.2 180,-1.6 1,-0.2 134,-0.1 -0.807 360.0 5.0 -99.0 136.0 12.6 63.0 77.5 3 18 A G S S+ 0 0 44 -2,-0.4 -1,-0.2 132,-0.4 2,-0.1 0.695 102.1 118.6 70.1 21.0 14.7 60.6 75.6 4 19 A G - 0 0 17 -3,-0.4 2,-0.3 178,-0.1 144,-0.2 -0.251 53.3-127.2-104.3-166.9 16.7 59.4 78.6 5 20 A T E -B 147 0B 83 142,-2.2 142,-2.2 -2,-0.1 2,-0.1 -0.887 37.1 -73.6-138.1 169.3 17.3 56.1 80.4 6 21 A A E -B 146 0B 56 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.399 50.5-130.4 -65.1 134.9 17.0 54.7 83.9 7 22 A S - 0 0 10 138,-2.7 2,-0.3 55,-0.1 138,-0.1 -0.413 20.0-107.0 -83.9 164.0 19.9 55.8 86.1 8 23 A V > - 0 0 94 -2,-0.1 3,-2.4 1,-0.1 4,-0.3 -0.714 47.2 -93.2 -87.3 141.1 22.0 53.5 88.2 9 24 A R T 3 S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.286 113.0 11.8 -54.9 133.2 21.3 53.7 92.0 10 25 A G T 3 S+ 0 0 38 98,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.438 90.9 120.6 78.6 -1.6 23.7 56.2 93.6 11 26 A E S < S+ 0 0 64 -3,-2.4 -2,-0.1 1,-0.3 3,-0.1 0.778 85.5 28.8 -64.4 -29.2 24.8 57.5 90.2 12 27 A W S > S+ 0 0 11 -4,-0.3 3,-2.1 96,-0.1 -1,-0.3 -0.566 72.6 170.7-132.7 68.5 23.6 61.0 91.1 13 28 A P T 3 S+ 0 0 10 0, 0.0 97,-0.9 0, 0.0 47,-0.3 0.574 75.3 59.1 -56.9 -13.1 24.0 61.2 94.9 14 29 A W T 3 S+ 0 0 2 95,-0.2 19,-2.3 97,-0.1 2,-0.3 0.640 82.7 101.9 -92.0 -14.7 23.3 64.9 94.9 15 30 A Q E < -J 32 0C 5 -3,-2.1 45,-0.5 17,-0.2 46,-0.4 -0.510 49.8-179.8 -72.7 129.5 19.9 64.6 93.3 16 31 A V E -J 31 0C 1 15,-2.1 15,-0.9 -2,-0.3 2,-0.5 -0.866 25.1-131.8-125.2 160.6 16.9 64.8 95.7 17 32 A T E -JK 30 58C 0 41,-2.0 41,-2.2 -2,-0.3 2,-0.6 -0.977 19.2-151.3-114.1 121.6 13.2 64.6 95.1 18 33 A L E -JK 29 57C 2 11,-3.2 10,-3.6 -2,-0.5 11,-1.7 -0.852 16.9-169.2 -95.5 122.2 11.2 67.4 96.8 19 34 A H E -JK 27 56C 8 37,-3.1 37,-2.1 -2,-0.6 2,-0.4 -0.764 14.8-149.3-110.3 156.4 7.6 66.4 97.8 20 35 A T E -JK 26 55C 13 6,-2.2 6,-1.9 -2,-0.3 35,-0.2 -0.920 6.8-151.8-117.2 148.0 4.7 68.4 98.9 21 36 A T + 0 0 44 33,-1.9 4,-0.3 -2,-0.4 34,-0.1 0.461 52.5 130.3 -98.9 -1.4 2.1 66.8 101.3 22 37 A S S S- 0 0 70 32,-0.3 2,-0.2 2,-0.2 4,-0.1 -0.898 84.6 -12.3-112.2 131.3 -0.8 68.9 100.1 23 37AA P S S- 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.862 145.0 -20.9 -74.5 -37.0 -3.4 67.9 99.3 24 37BA T S S- 0 0 91 -2,-0.2 -2,-0.2 -4,-0.1 -4,-0.1 -0.930 89.9 -79.3-126.8 153.3 -1.9 64.4 99.3 25 37CA Q + 0 0 70 -2,-0.3 2,-0.3 -4,-0.3 -4,-0.2 -0.217 61.4 147.3 -59.6 137.7 1.9 63.6 99.0 26 37DA R E -J 20 0C 118 -6,-1.9 -6,-2.2 -4,-0.1 2,-0.2 -0.976 53.3 -84.7-162.7 157.4 3.5 63.8 95.6 27 38 A H E +J 19 0C 15 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.496 42.6 172.9 -66.6 134.1 6.8 64.6 93.9 28 39 A L E - 0 0 55 -10,-3.6 2,-0.3 1,-0.4 -9,-0.2 0.773 54.6 -18.5-109.9 -49.5 7.0 68.4 93.3 29 40 A a E -J 18 0C 5 -11,-1.7 -11,-3.2 158,-0.1 -1,-0.4 -0.957 56.9-109.7-154.1 169.9 10.5 69.2 92.0 30 41 A G E +J 17 0C 1 158,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.437 37.0 174.8 -95.0 176.9 14.0 68.0 91.8 31 42 A G E -J 16 0C 1 -15,-0.9 -15,-2.1 -2,-0.1 2,-0.4 -0.962 23.5-119.8-171.6 169.6 16.9 69.6 93.7 32 43 A S E -JL 15 40C 1 8,-2.1 8,-3.0 -2,-0.3 2,-0.5 -0.985 17.9-127.7-130.0 136.2 20.6 69.3 94.5 33 44 A I E + L 0 39C 1 -19,-2.3 79,-2.2 -2,-0.4 6,-0.2 -0.688 38.3 157.6 -78.2 122.1 22.5 68.8 97.8 34 45 A I E + 0 0 30 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.420 64.6 14.6-122.5 -5.6 25.1 71.5 98.0 35 46 A G E > S- L 0 38C 13 3,-1.4 3,-1.1 75,-0.0 -1,-0.3 -0.970 86.5 -92.7-160.5 166.1 25.7 71.5 101.7 36 47 A N T 3 S+ 0 0 77 -2,-0.3 67,-3.1 1,-0.3 65,-0.0 0.759 128.8 18.5 -57.1 -26.6 25.0 69.5 104.9 37 48 A Q T 3 S+ 0 0 49 65,-0.2 62,-2.4 63,-0.0 2,-0.4 0.130 113.0 93.1-130.7 18.7 21.8 71.5 105.4 38 51 A W E < -LM 35 98C 26 -3,-1.1 -4,-2.4 60,-0.2 -3,-1.4 -0.952 42.1-177.0-130.9 131.2 21.3 73.0 101.9 39 52 A I E -LM 33 97C 4 58,-1.9 58,-2.3 -2,-0.4 2,-0.5 -0.960 17.5-150.1-116.1 129.5 19.3 72.0 98.8 40 53 A L E +LM 32 96C 0 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.2 -0.895 35.9 141.5-101.2 128.8 19.7 74.2 95.7 41 54 A T E - M 0 95C 0 54,-2.9 54,-2.3 -2,-0.5 2,-0.4 -0.724 50.3 -63.0-147.2-166.2 16.5 74.2 93.5 42 55 A A > - 0 0 0 -12,-0.4 3,-1.3 52,-0.3 52,-0.2 -0.757 29.0-142.4 -96.7 140.0 14.3 76.4 91.3 43 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.851 99.2 63.0 -64.9 -38.0 12.3 79.3 92.7 44 57 A H G > S+ 0 0 44 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.407 85.1 79.9 -71.5 6.0 9.3 78.6 90.5 45 58 A a G < S+ 0 0 4 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.588 86.0 57.9 -85.4 -11.0 8.9 75.3 92.3 46 59 A F G X + 0 0 16 -3,-1.8 3,-1.7 -4,-0.1 2,-0.6 -0.063 69.1 145.8-110.6 32.1 7.2 77.0 95.3 47 59AA Y T < S+ 0 0 210 -3,-0.6 3,-0.1 1,-0.3 -3,-0.0 -0.589 79.5 8.3 -74.2 116.6 4.3 78.6 93.5 48 59BA G T 3 S+ 0 0 56 -2,-0.6 2,-0.8 1,-0.2 -1,-0.3 0.494 99.4 127.2 93.4 1.8 1.3 78.6 95.8 49 59CA V < + 0 0 33 -3,-1.7 -1,-0.2 1,-0.1 -3,-0.0 -0.825 25.6 166.7 -99.8 107.7 3.5 77.4 98.7 50 60 A E + 0 0 179 -2,-0.8 -1,-0.1 1,-0.2 3,-0.1 0.314 64.4 38.4-102.5 11.7 3.2 79.6 101.7 51 61 A S > - 0 0 40 1,-0.1 3,-1.1 27,-0.0 -1,-0.2 -0.934 59.9-143.8-162.3 137.4 4.9 77.3 104.2 52 62 A P G > S+ 0 0 33 0, 0.0 3,-1.7 0, 0.0 24,-0.6 0.581 90.5 87.7 -71.5 -11.4 7.9 74.9 104.3 53 63 A K G 3 S+ 0 0 180 1,-0.3 24,-0.0 22,-0.1 -33,-0.0 0.731 84.6 51.0 -61.1 -26.1 5.8 72.7 106.6 54 64 A I G < S+ 0 0 46 -3,-1.1 -33,-1.9 -34,-0.0 2,-0.3 0.403 95.0 97.5 -92.9 2.5 4.2 70.9 103.7 55 65 A L E < -K 20 0C 4 -3,-1.7 21,-0.6 -35,-0.2 2,-0.4 -0.687 47.4-177.7 -96.9 146.4 7.6 70.1 102.1 56 66 A R E -KN 19 75C 64 -37,-2.1 -37,-3.1 -2,-0.3 2,-0.5 -0.992 11.7-154.5-140.6 129.6 9.7 66.9 102.4 57 67 A V E -KN 18 74C 0 17,-2.4 17,-3.0 -2,-0.4 2,-0.5 -0.929 8.7-166.6-109.4 124.3 13.1 66.3 101.0 58 68 A Y E -K 17 0C 2 -41,-2.2 -41,-2.0 -2,-0.5 3,-0.3 -0.944 6.5-170.3-111.8 128.2 14.1 62.7 100.2 59 69 A S + 0 0 19 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.721 63.4 31.1-112.2 162.9 17.7 61.9 99.4 60 70 A G S S+ 0 0 23 -45,-0.5 2,-0.4 48,-0.3 -1,-0.2 0.824 83.3 147.2 60.8 33.4 19.4 58.7 98.2 61 71 A I + 0 0 21 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.832 24.7 163.2-104.6 138.7 16.3 57.8 96.2 62 72 A L S S+ 0 0 20 -2,-0.4 83,-2.1 1,-0.4 2,-0.4 0.692 74.2 35.7-111.6 -53.9 16.3 56.0 92.8 63 73 A N B > -P 144 0D 37 81,-0.2 3,-2.5 1,-0.1 -1,-0.4 -0.878 69.2-139.6-108.2 133.1 12.6 54.9 92.6 64 74 A Q G > S+ 0 0 30 79,-2.7 3,-1.9 -2,-0.4 -1,-0.1 0.791 102.2 72.7 -56.9 -25.6 9.7 56.9 93.9 65 75 A A G 3 S+ 0 0 79 1,-0.3 -1,-0.3 78,-0.1 79,-0.1 0.726 82.0 69.4 -62.6 -20.3 8.4 53.5 95.1 66 76 A E G < S+ 0 0 59 -3,-2.5 2,-0.7 1,-0.1 -1,-0.3 0.727 84.1 87.0 -69.6 -19.2 11.0 53.6 97.8 67 77 A I < + 0 0 24 -3,-1.9 2,-0.2 -4,-0.3 -1,-0.1 -0.746 54.5 146.4 -90.3 114.7 9.0 56.5 99.4 68 78 A A > - 0 0 48 -2,-0.7 3,-1.9 4,-0.1 -2,-0.0 -0.748 65.8 -84.0-132.7 179.4 6.3 55.4 101.7 69 79 A E T 3 S+ 0 0 193 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.784 129.5 49.0 -60.2 -26.1 4.7 56.7 104.9 70 80 A D T 3 S+ 0 0 146 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.291 85.0 111.4 -97.6 10.3 7.5 55.1 106.9 71 81 A T < - 0 0 31 -3,-1.9 -4,-0.1 1,-0.1 2,-0.1 -0.706 69.8-121.0 -86.5 133.0 10.4 56.4 104.8 72 81AA S + 0 0 107 -2,-0.4 2,-0.3 -14,-0.0 -2,-0.1 -0.354 37.8 170.4 -71.2 153.2 12.6 59.0 106.5 73 82 A F - 0 0 76 -15,-0.1 2,-0.5 -2,-0.1 -15,-0.2 -0.931 34.9-101.4-152.9 172.1 13.0 62.5 105.0 74 83 A F E -N 57 0C 28 -17,-3.0 -17,-2.4 -2,-0.3 2,-0.1 -0.895 31.7-138.1-105.3 127.2 14.4 65.9 105.7 75 84 A G E -N 56 0C 10 -2,-0.5 25,-2.4 -19,-0.2 2,-0.6 -0.405 19.6-121.0 -76.7 161.1 12.0 68.6 106.8 76 85 A V E -O 99 0C 2 -24,-0.6 23,-0.3 -21,-0.6 -21,-0.2 -0.930 25.3-178.1-108.5 123.2 12.5 72.1 105.4 77 86 A Q E S+ 0 0 95 21,-2.9 2,-0.3 -2,-0.6 22,-0.2 0.815 70.4 9.5 -86.8 -34.9 13.1 74.9 107.9 78 87 A E E -O 98 0C 83 20,-1.7 20,-2.7 -26,-0.1 2,-0.6 -0.993 55.3-148.8-153.0 141.6 13.2 77.8 105.4 79 88 A I E -O 97 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.945 18.1-165.4-108.3 120.6 12.6 78.5 101.8 80 89 A I E -O 96 0C 16 16,-3.3 16,-2.8 -2,-0.6 2,-0.4 -0.925 6.0-174.0-113.4 110.5 14.9 81.2 100.4 81 90 A I E -O 95 0C 61 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.845 37.1-102.0-102.9 136.4 13.8 82.7 97.0 82 91 A H > - 0 0 15 12,-1.7 3,-2.1 -2,-0.4 12,-0.1 -0.348 28.8-134.9 -55.6 127.3 16.0 85.1 95.1 83 92 A D T 3 S+ 0 0 130 1,-0.3 -1,-0.2 -2,-0.0 -2,-0.0 0.600 103.9 56.8 -64.4 -8.6 14.4 88.5 95.8 84 93 A Q T 3 S+ 0 0 103 8,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.487 81.7 114.4 -99.0 -3.8 14.8 89.4 92.1 85 94 A Y < + 0 0 53 -3,-2.1 7,-0.1 1,-0.2 3,-0.1 -0.480 21.4 150.2 -72.7 132.7 12.8 86.4 91.0 86 95 A K S S- 0 0 161 5,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.590 70.4 -15.5-123.7 -49.8 9.4 87.0 89.3 87 96 A M > - 0 0 95 4,-0.4 3,-2.5 1,-0.1 4,-0.5 -0.982 62.5-106.5-161.2 149.9 9.1 84.0 86.9 88 97 A A G > S+ 0 0 13 -2,-0.3 3,-1.7 1,-0.3 5,-0.3 0.855 116.8 53.4 -42.0 -52.2 11.2 81.2 85.4 89 98 A E G 3 S+ 0 0 96 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.642 106.4 53.8 -63.9 -15.3 11.2 82.8 82.0 90 99 A S G < S- 0 0 75 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.396 111.1-118.2 -99.0 -0.2 12.6 86.1 83.3 91 100 A G S < S+ 0 0 6 -3,-1.7 -5,-0.5 -4,-0.5 -4,-0.4 -0.449 84.3 94.6 98.1-172.5 15.6 84.6 85.2 92 101 A Y + 0 0 52 1,-0.2 2,-2.1 78,-0.1 -10,-0.3 0.741 47.8 157.5 52.3 27.7 16.6 84.4 88.8 93 102 A D + 0 0 0 -5,-0.3 2,-0.3 -6,-0.1 -1,-0.2 -0.516 29.9 115.5 -82.7 74.0 14.9 81.1 89.0 94 103 A I + 0 0 0 -2,-2.1 -12,-1.7 -52,-0.2 2,-0.3 -0.999 35.7 173.3-146.1 141.5 16.9 79.9 92.0 95 104 A A E -MO 41 81C 0 -54,-2.3 -54,-2.9 -2,-0.3 2,-0.4 -0.994 19.6-141.3-148.9 151.2 16.0 79.0 95.5 96 105 A L E -MO 40 80C 0 -16,-2.8 -16,-3.3 -2,-0.3 2,-0.5 -0.905 8.1-155.0-114.2 142.1 17.6 77.5 98.6 97 106 A L E -MO 39 79C 1 -58,-2.3 -58,-1.9 -2,-0.4 2,-0.7 -0.977 7.2-153.8-117.3 118.2 16.0 75.1 101.0 98 107 A K E -MO 38 78C 52 -20,-2.7 -21,-2.9 -2,-0.5 -20,-1.7 -0.847 21.1-137.1 -92.3 117.8 17.5 75.1 104.6 99 108 A L E - 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