==== 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 16-MAY-05 1ZPB . COMPND 2 MOLECULE: COAGULATION FACTOR XI; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.DENG,T.D.BANNISTER,L.JIN,P.NAGAFUJI,C.A.CELATKA,J.LIN, . 237 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11603.0 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 . 74 31.2 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 . 24 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.9 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 . 3 3 2 4 2 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 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.9 2.7 47.4 20.7 2 17 A V B +A 182 0A 21 180,-3.1 180,-1.6 1,-0.2 134,-0.1 -0.781 360.0 3.0 -95.7 137.9 2.1 48.3 17.1 3 18 A G S S+ 0 0 41 132,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.704 102.3 117.8 65.9 22.1 -0.4 46.3 15.1 4 19 A G - 0 0 25 -3,-0.5 2,-0.3 178,-0.1 144,-0.2 -0.114 54.6-125.4-100.5-157.9 -1.5 44.1 18.0 5 20 A T E -B 147 0B 79 142,-2.1 142,-2.2 -3,-0.1 2,-0.0 -0.933 36.9 -70.4-146.3 167.8 -4.8 43.7 19.8 6 21 A A E -B 146 0B 48 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.332 49.6-128.4 -62.8 139.5 -6.2 43.9 23.3 7 22 A S - 0 0 7 138,-2.7 2,-0.3 55,-0.1 138,-0.1 -0.507 19.5-113.1 -86.2 156.2 -5.1 41.1 25.6 8 23 A V > - 0 0 96 -2,-0.2 3,-2.4 1,-0.1 4,-0.3 -0.723 46.8 -91.6 -86.7 141.4 -7.6 39.0 27.7 9 24 A R T 3 S+ 0 0 130 -2,-0.3 -1,-0.1 1,-0.3 53,-0.1 -0.247 112.5 11.7 -53.5 135.1 -7.3 39.6 31.4 10 25 A G T 3 S+ 0 0 36 98,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.432 92.0 119.0 76.7 -1.2 -4.8 37.1 33.0 11 26 A E S < S+ 0 0 66 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.837 83.9 30.4 -65.6 -33.9 -3.6 36.0 29.5 12 27 A W S > S+ 0 0 11 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.570 72.8 169.2-126.6 68.2 -0.0 37.2 30.3 13 28 A P T 3 S+ 0 0 10 0, 0.0 97,-0.7 0, 0.0 47,-0.3 0.582 73.5 59.0 -55.5 -17.8 0.3 36.7 34.1 14 29 A W T 3 S+ 0 0 1 95,-0.2 19,-2.6 97,-0.1 2,-0.3 0.611 84.0 103.0 -88.9 -12.1 4.1 37.2 34.2 15 30 A Q E < +J 32 0C 4 -3,-2.0 45,-0.5 17,-0.2 46,-0.4 -0.534 48.8 177.8 -74.9 129.2 3.7 40.7 32.7 16 31 A V E -JK 31 59C 1 15,-2.3 15,-1.1 -2,-0.3 2,-0.5 -0.890 25.9-130.9-127.3 158.9 4.0 43.6 35.1 17 32 A T E -JK 30 58C 0 41,-2.0 41,-2.2 -2,-0.3 2,-0.6 -0.959 18.3-149.2-111.9 124.5 3.9 47.4 34.5 18 33 A L E -JK 29 57C 2 11,-3.3 10,-3.4 -2,-0.5 11,-1.5 -0.842 17.7-168.3 -96.3 119.2 6.8 49.3 36.1 19 34 A H E -JK 27 56C 7 37,-3.3 37,-2.2 -2,-0.6 2,-0.4 -0.730 14.3-150.2-106.5 156.0 5.8 52.8 37.2 20 35 A T E -JK 26 55C 8 6,-2.1 6,-1.9 -2,-0.3 35,-0.2 -0.928 5.7-153.6-117.3 144.9 7.9 55.8 38.3 21 36 A T + 0 0 45 33,-2.1 4,-0.2 -2,-0.4 34,-0.1 0.490 50.4 129.5 -97.4 -4.4 6.3 58.2 40.8 22 37 A S S S- 0 0 71 32,-0.3 2,-0.1 1,-0.1 4,-0.1 -0.872 85.4 -12.2-106.2 130.8 8.5 61.2 39.7 23 37AA P S S- 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.911 144.5 -20.1 -77.5 -35.4 7.3 63.9 39.1 24 37BA T S S- 0 0 106 -2,-0.1 -4,-0.1 -4,-0.1 -2,-0.1 -0.934 90.3 -79.3-129.6 154.1 3.8 62.3 39.0 25 37CA Q + 0 0 67 -2,-0.3 2,-0.3 -4,-0.2 -4,-0.2 -0.244 60.7 148.5 -60.6 137.7 3.1 58.6 38.6 26 37DA R E -J 20 0C 129 -6,-1.9 -6,-2.1 -4,-0.1 2,-0.3 -0.979 52.4 -83.2-162.0 159.2 3.3 57.1 35.1 27 38 A H E +J 19 0C 8 -2,-0.3 -8,-0.3 -8,-0.2 3,-0.1 -0.517 42.6 172.0 -69.9 129.3 4.1 53.8 33.3 28 39 A L E - 0 0 32 -10,-3.4 2,-0.3 1,-0.4 -9,-0.2 0.838 55.4 -22.7-102.8 -55.0 7.9 53.6 32.7 29 40 A a E -J 18 0C 6 -11,-1.5 -11,-3.3 158,-0.1 -1,-0.4 -0.936 57.5-106.9-153.2 170.4 8.6 50.1 31.4 30 41 A G E +J 17 0C 1 158,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.454 36.4 176.9 -95.4 174.9 7.3 46.5 31.2 31 42 A G E -J 16 0C 0 -15,-1.1 -15,-2.3 -2,-0.2 2,-0.4 -0.971 22.2-121.0-168.3 169.0 8.8 43.6 33.1 32 43 A S E -JL 15 40C 2 8,-2.2 8,-3.0 -2,-0.3 2,-0.5 -0.983 17.3-129.0-130.0 134.2 8.4 39.9 33.8 33 44 A I E + L 0 39C 0 -19,-2.6 79,-2.4 -2,-0.4 6,-0.2 -0.647 37.6 157.8 -75.3 123.9 7.8 38.0 37.0 34 45 A I E + 0 0 30 4,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.438 66.3 11.3-124.2 -6.9 10.4 35.2 37.1 35 46 A G E > S- L 0 38C 16 3,-1.3 3,-1.0 75,-0.0 -1,-0.4 -0.965 86.8 -92.0-162.0 164.6 10.5 34.6 40.8 36 47 A N T 3 S+ 0 0 72 -2,-0.3 67,-3.0 1,-0.3 65,-0.1 0.710 128.0 19.9 -59.1 -21.2 8.5 35.5 44.0 37 48 A Q T 3 S+ 0 0 55 65,-0.2 62,-2.4 63,-0.0 2,-0.4 0.203 113.1 90.4-132.0 15.1 10.7 38.5 44.6 38 51 A W E < -LM 35 98C 37 -3,-1.0 -4,-2.3 60,-0.2 -3,-1.3 -0.948 43.6-176.5-127.4 131.3 12.2 39.0 41.1 39 52 A I E -LM 33 97C 1 58,-1.9 58,-2.2 -2,-0.4 2,-0.5 -0.972 17.4-149.8-117.8 128.4 11.2 41.0 38.0 40 53 A L E +LM 32 96C 1 -8,-3.0 -8,-2.2 -2,-0.5 2,-0.2 -0.886 36.8 139.8-100.3 128.3 13.4 40.6 34.9 41 54 A T E - M 0 95C 0 54,-2.9 54,-2.7 -2,-0.5 2,-0.3 -0.765 52.2 -63.1-148.3-167.8 13.4 43.7 32.8 42 55 A A > - 0 0 0 -12,-0.4 3,-0.9 52,-0.3 52,-0.2 -0.704 28.6-146.8 -92.3 140.4 15.6 46.0 30.6 43 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.857 97.9 64.3 -72.0 -33.0 18.6 47.9 32.2 44 57 A H G > S+ 0 0 40 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.566 85.1 78.7 -69.1 -5.0 18.2 50.8 29.9 45 58 A a G < S+ 0 0 7 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.532 85.6 61.3 -80.9 -3.1 14.8 51.3 31.6 46 59 A F G X + 0 0 19 -3,-1.9 3,-1.1 2,-0.0 2,-0.7 -0.075 66.7 143.1-115.4 35.1 16.5 52.9 34.5 47 59AA Y T < S+ 0 0 218 -3,-0.8 3,-0.1 1,-0.3 -3,-0.0 -0.626 79.7 7.1 -78.4 116.7 18.1 55.8 32.8 48 59BA G T 3 S+ 0 0 66 -2,-0.7 2,-0.9 1,-0.3 -1,-0.3 0.361 94.1 132.5 96.4 -10.1 18.0 58.8 35.2 49 59CA V < + 0 0 30 -3,-1.1 -1,-0.3 1,-0.2 -3,-0.0 -0.713 27.8 175.0 -81.1 107.7 16.7 56.7 38.0 50 60 A E + 0 0 194 -2,-0.9 -1,-0.2 1,-0.2 -4,-0.0 0.645 65.0 23.3 -87.7 -15.1 18.8 57.5 41.0 51 61 A S > - 0 0 35 1,-0.1 3,-1.1 27,-0.0 -1,-0.2 -1.000 61.2-133.8-153.7 149.6 16.8 55.4 43.4 52 62 A P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 24,-0.5 0.644 95.6 83.8 -74.8 -10.3 14.5 52.4 43.6 53 63 A K G 3 S+ 0 0 177 1,-0.3 24,-0.0 22,-0.1 -33,-0.0 0.671 85.0 54.3 -66.3 -18.7 12.3 54.4 45.9 54 64 A I G < S+ 0 0 47 -3,-1.1 -33,-2.1 -34,-0.1 -32,-0.3 0.428 94.2 95.8 -94.8 2.5 10.5 56.1 43.0 55 65 A L E < -K 20 0C 7 -3,-1.7 21,-0.6 -35,-0.2 2,-0.4 -0.696 47.4-178.8 -98.8 145.7 9.6 52.7 41.5 56 66 A R E -KN 19 75C 64 -37,-2.2 -37,-3.3 -2,-0.3 2,-0.5 -0.989 12.3-154.5-141.4 127.8 6.4 50.7 41.8 57 67 A V E -KN 18 74C 1 17,-2.6 17,-3.0 -2,-0.4 2,-0.5 -0.912 8.4-165.3-106.8 125.7 5.7 47.4 40.3 58 68 A Y E -K 17 0C 2 -41,-2.2 -41,-2.0 -2,-0.5 2,-0.3 -0.947 7.2-169.6-111.6 129.3 2.1 46.4 39.6 59 69 A S E +K 16 0C 17 -2,-0.5 -43,-0.1 -43,-0.2 50,-0.1 -0.755 63.5 30.6-113.4 161.8 1.2 42.8 38.8 60 70 A G S S+ 0 0 19 -45,-0.5 2,-0.3 48,-0.4 -1,-0.2 0.748 83.3 148.8 64.4 26.2 -2.0 41.2 37.6 61 71 A I + 0 0 21 -46,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.719 24.3 162.8 -97.2 141.6 -2.9 44.3 35.6 62 72 A L S S+ 0 0 20 1,-0.4 83,-2.2 -2,-0.3 2,-0.4 0.671 74.5 33.3-112.7 -58.9 -4.8 44.4 32.3 63 73 A N B > -P 144 0D 35 81,-0.2 3,-2.0 1,-0.1 -1,-0.4 -0.846 69.7-138.9-104.7 136.3 -5.9 48.1 32.1 64 74 A Q G > S+ 0 0 28 79,-2.7 3,-1.8 -2,-0.4 -1,-0.1 0.747 101.9 73.8 -61.9 -22.9 -3.8 50.9 33.4 65 75 A A G 3 S+ 0 0 78 1,-0.3 -1,-0.3 78,-0.2 79,-0.1 0.728 81.3 69.4 -63.3 -21.8 -7.1 52.4 34.7 66 76 A E G < S+ 0 0 55 -3,-2.0 2,-0.6 2,-0.0 -1,-0.3 0.731 84.5 88.6 -68.1 -19.6 -7.0 49.7 37.4 67 77 A I < + 0 0 25 -3,-1.8 2,-0.2 -4,-0.3 -1,-0.0 -0.721 54.4 142.0 -88.4 118.8 -4.1 51.6 38.9 68 78 A A > - 0 0 46 -2,-0.6 3,-1.9 4,-0.1 -2,-0.0 -0.810 66.2 -81.8-140.4 180.0 -5.0 54.4 41.3 69 79 A E T 3 S+ 0 0 170 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.799 128.5 46.4 -58.0 -31.5 -3.7 55.9 44.6 70 80 A D T 3 S+ 0 0 123 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.216 86.3 113.1 -97.9 14.1 -5.4 53.1 46.6 71 81 A T S < S- 0 0 32 -3,-1.9 -4,-0.0 1,-0.1 -5,-0.0 -0.753 70.0-119.9 -90.0 130.8 -4.1 50.2 44.4 72 81AA S + 0 0 106 -2,-0.5 2,-0.3 1,-0.0 -4,-0.1 -0.311 38.8 173.0 -66.5 151.1 -1.6 47.9 46.1 73 82 A F - 0 0 81 -15,-0.1 2,-0.5 -2,-0.0 -15,-0.2 -0.918 32.9-102.9-150.0 171.4 1.8 47.6 44.4 74 83 A F E -N 57 0C 28 -17,-3.0 -17,-2.6 -2,-0.3 2,-0.1 -0.890 30.7-136.5-105.4 130.7 5.2 46.1 45.1 75 84 A G E -N 56 0C 9 -2,-0.5 25,-2.6 -19,-0.2 2,-0.6 -0.439 18.4-122.9 -79.2 158.5 8.1 48.3 46.3 76 85 A V E -O 99 0C 3 -21,-0.6 23,-0.3 -24,-0.5 -21,-0.2 -0.926 25.0-179.0-108.0 122.4 11.5 47.8 44.7 77 86 A Q E + 0 0 88 21,-3.1 2,-0.3 -2,-0.6 22,-0.2 0.855 69.6 5.3 -84.9 -40.1 14.3 47.0 47.1 78 87 A E E -O 98 0C 86 20,-1.6 20,-2.7 -26,-0.1 2,-0.6 -0.996 54.7-145.5-152.4 143.0 17.1 46.9 44.6 79 88 A I E -O 97 0C 38 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.933 19.3-163.0-105.4 121.4 17.8 47.5 40.9 80 89 A I E -O 96 0C 14 16,-3.5 16,-2.4 -2,-0.6 2,-0.4 -0.904 7.4-173.0-112.6 106.7 20.4 45.1 39.6 81 90 A I E -O 95 0C 62 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.785 35.4-103.1 -97.9 138.8 21.9 46.2 36.3 82 91 A H > - 0 0 15 12,-1.7 3,-1.7 -2,-0.4 -1,-0.1 -0.365 29.6-129.8 -58.5 135.0 24.3 43.9 34.3 83 92 A D T 3 S+ 0 0 137 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.709 105.0 52.2 -63.9 -20.1 27.8 45.2 34.9 84 93 A Q T 3 S+ 0 0 106 8,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.380 81.4 118.2 -96.6 4.4 28.6 45.2 31.2 85 94 A Y < + 0 0 59 -3,-1.7 7,-0.1 1,-0.2 3,-0.1 -0.538 19.1 149.3 -73.4 133.3 25.6 47.3 30.2 86 95 A K S S- 0 0 178 5,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.568 71.2 -15.1-126.4 -47.8 26.4 50.6 28.6 87 96 A M > - 0 0 79 4,-0.4 3,-1.7 1,-0.1 -1,-0.4 -0.977 64.5-108.1-159.4 150.8 23.4 51.1 26.2 88 97 A A G > S+ 0 0 15 -2,-0.3 3,-2.3 1,-0.3 5,-0.3 0.891 115.4 55.5 -46.8 -53.1 20.7 49.0 24.7 89 98 A E G 3 S+ 0 0 82 1,-0.3 77,-0.4 118,-0.1 -1,-0.3 0.682 105.7 54.3 -58.5 -19.0 22.1 49.0 21.2 90 99 A S G < S- 0 0 72 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.402 111.5-120.1 -95.7 1.0 25.4 47.5 22.6 91 100 A G S < S+ 0 0 5 -3,-2.3 -5,-0.5 -4,-0.3 -4,-0.4 -0.337 82.8 94.5 94.1-176.5 23.7 44.6 24.3 92 101 A Y + 0 0 54 1,-0.2 2,-2.2 78,-0.2 -10,-0.3 0.753 47.4 158.5 57.2 26.6 23.6 43.4 28.0 93 102 A D + 0 0 1 -5,-0.3 2,-0.3 -50,-0.1 -1,-0.2 -0.520 30.0 116.1 -81.2 76.0 20.3 45.3 28.3 94 103 A I + 0 0 0 -2,-2.2 -12,-1.7 -52,-0.2 2,-0.3 -0.999 34.6 170.2-147.2 140.5 19.1 43.2 31.2 95 104 A A E -MO 41 81C 0 -54,-2.7 -54,-2.9 -2,-0.3 2,-0.4 -0.990 21.4-138.9-150.5 155.8 18.2 44.1 34.8 96 105 A L E -MO 40 80C 0 -16,-2.4 -16,-3.5 -2,-0.3 2,-0.6 -0.936 7.7-155.0-118.8 138.8 16.7 42.5 37.9 97 106 A L E -MO 39 79C 0 -58,-2.2 -58,-1.9 -2,-0.4 2,-0.7 -0.969 8.8-153.2-114.2 117.1 14.3 44.2 40.3 98 107 A K E -MO 38 78C 48 -20,-2.7 -21,-3.1 -2,-0.6 -20,-1.6 -0.835 21.8-136.5 -89.9 119.5 14.4 42.7 43.8 99 108 A L E - 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