==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-AUG-00 1FKN . COMPND 2 MOLECULE: MEMAPSIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.HONG,G.KOELSCH,X.LIN,S.WU,S.TERZYAN,A.GHOSH,X.C.ZHANG,J.TA . 794 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 229 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 2 0.3 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 . 88 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 6 0 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 . 11 6 4 6 6 8 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 4 0 0 0 0 0 0 0 0 2 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 43PA R 0 0 129 0, 0.0 2,-0.2 0, 0.0 189,-0.1 0.000 360.0 360.0 360.0 -42.2 27.8 14.6 26.0 2 44PA R - 0 0 47 663,-0.2 185,-0.7 651,-0.1 2,-0.7 -0.381 360.0-138.4 -85.7 142.4 30.9 13.5 23.9 3 45PA G B +A 652 0A 0 649,-3.2 649,-2.9 184,-0.3 3,-0.3 -0.824 20.6 179.2-101.3 113.6 31.1 11.8 20.5 4 46PA S + 0 0 44 -2,-0.7 3,-0.1 181,-0.3 -1,-0.1 0.309 66.2 62.4 -98.5 8.1 33.7 9.0 20.4 5 47PA F >> + 0 0 64 1,-0.1 3,-1.7 2,-0.0 4,-1.0 -0.313 55.8 152.9-126.6 54.6 33.5 7.5 16.9 6 48PA V T 34 + 0 0 54 644,-0.7 3,-0.1 -3,-0.3 -1,-0.1 0.741 63.9 64.8 -55.3 -32.0 34.5 10.5 14.8 7 1 A E T 34 S+ 0 0 75 1,-0.2 -1,-0.3 643,-0.2 -2,-0.0 0.800 110.6 38.2 -64.6 -26.1 36.0 8.6 11.9 8 2 A M T X4 S+ 0 0 14 -3,-1.7 3,-1.3 171,-0.0 172,-0.7 0.597 89.7 110.3 -99.5 -13.2 32.5 7.2 11.1 9 3 A V T 3< S+ 0 0 31 -4,-1.0 170,-0.1 1,-0.3 -6,-0.0 -0.403 88.8 9.9 -64.3 137.9 30.5 10.3 11.9 10 4 A D T 3 S+ 0 0 86 149,-0.1 -1,-0.3 1,-0.1 169,-0.2 0.790 84.7 134.3 63.1 32.6 29.0 11.9 8.7 11 5 A N < + 0 0 17 -3,-1.3 12,-0.6 84,-0.1 2,-0.3 0.341 50.8 81.3 -92.4 8.4 29.9 8.9 6.6 12 6 A L E -BC 22 178B 0 166,-2.4 165,-3.6 10,-0.1 166,-0.8 -0.819 50.7-178.7-115.2 155.9 26.5 8.8 4.9 13 7 A R E +B 21 0B 67 8,-1.6 8,-2.8 -2,-0.3 2,-0.3 -0.933 37.4 68.8-141.6 161.3 24.9 10.7 2.0 14 8 A G E -B 20 0B 7 158,-0.3 2,-0.3 -2,-0.3 6,-0.2 -0.832 60.6-107.1 127.2-164.1 21.4 10.5 0.4 15 9 A K E >> -B 19 0B 59 4,-1.3 4,-1.7 -2,-0.3 3,-1.3 -0.957 36.5 -92.1-162.8 163.3 17.8 11.4 1.4 16 10 A S T 34 S+ 0 0 7 -2,-0.3 768,-0.4 1,-0.3 325,-0.2 0.795 118.0 56.3 -55.5 -36.7 14.7 9.5 2.3 17 11 A G T 34 S+ 0 0 2 1,-0.2 -1,-0.3 766,-0.2 221,-0.1 0.714 123.2 22.8 -71.7 -21.7 13.3 9.3 -1.2 18 12 A Q T <4 S- 0 0 38 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.385 113.2-104.4-124.2 0.2 16.4 7.6 -2.7 19 13 A G E < -B 15 0B 2 -4,-1.7 -4,-1.3 765,-0.1 2,-0.4 0.003 28.1 -91.3 93.7 158.7 18.1 5.9 0.3 20 14 A Y E -B 14 0B 2 17,-0.4 17,-3.0 215,-0.3 2,-0.3 -0.918 44.8-168.1-109.2 134.9 21.2 6.7 2.4 21 15 A Y E -BD 13 36B 2 -8,-2.8 -8,-1.6 -2,-0.4 2,-0.3 -0.878 14.3-151.2-128.3 157.5 24.4 5.1 1.3 22 16 A V E -BD 12 35B 1 13,-2.8 13,-2.7 -2,-0.3 2,-0.3 -0.925 30.6-107.0-123.0 147.6 28.0 4.6 2.6 23 17 A E E + D 0 34B 65 -12,-0.6 72,-0.4 -2,-0.3 2,-0.3 -0.565 44.1 170.9 -75.0 137.6 31.2 4.3 0.7 24 18 A M E - D 0 33B 1 9,-2.7 9,-2.9 -2,-0.3 2,-0.4 -0.935 23.6-142.1-139.1 161.9 32.7 0.8 0.5 25 19 A T E -ED 92 32B 18 67,-2.3 67,-2.0 -2,-0.3 2,-0.4 -0.974 15.1-171.1-125.2 142.9 35.5 -0.9 -1.5 26 20 A V E > +ED 91 31B 0 5,-2.0 5,-2.1 -2,-0.4 65,-0.2 -0.988 45.5 7.8-133.0 140.4 35.4 -4.4 -2.9 27 21 A G T 5S- 0 0 6 63,-2.3 4,-0.1 -2,-0.4 36,-0.1 -0.021 88.3 -47.2 88.9 173.1 38.2 -6.4 -4.4 28 22 A S T 5S+ 0 0 33 2,-0.1 36,-2.5 1,-0.1 37,-0.3 -0.977 130.2 31.4-133.0 116.1 41.9 -6.2 -4.9 29 23 A P T 5S- 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.572 121.3-101.2 -66.8 162.0 42.9 -3.6 -5.9 30 24 A P T 5 - 0 0 89 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.247 31.6-156.7 -55.9 129.3 40.0 -1.8 -4.1 31 25 A Q E < -D 26 0B 28 -5,-2.1 -5,-2.0 -4,-0.1 2,-0.4 -0.962 17.2-136.1-108.3 121.1 37.0 -0.9 -6.3 32 26 A T E +D 25 0B 52 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.617 31.0 166.6 -82.7 130.1 35.0 2.0 -4.7 33 27 A L E -D 24 0B 3 -9,-2.9 -9,-2.7 -2,-0.4 2,-0.6 -0.990 35.5-124.2-140.8 147.7 31.2 1.8 -4.7 34 28 A N E -D 23 0B 3 -2,-0.3 88,-3.8 -11,-0.2 89,-1.0 -0.826 32.5-162.5 -92.2 126.5 28.4 3.7 -3.0 35 29 A I E -Df 22 123B 0 -13,-2.7 -13,-2.8 -2,-0.6 89,-0.3 -0.945 15.5-128.0-121.7 122.8 26.2 1.2 -1.1 36 30 A L E -Df 21 124B 1 87,-3.0 89,-3.0 -2,-0.5 2,-0.7 -0.394 23.7-127.3 -65.3 136.5 22.7 1.8 0.2 37 31 A V E + f 0 125B 1 -17,-3.0 2,-0.5 87,-0.2 -17,-0.4 -0.764 33.1 178.5 -90.9 112.0 22.2 1.0 3.9 38 32 A D E > + f 0 126B 0 87,-2.6 89,-2.2 -2,-0.7 3,-1.1 -0.863 23.0 173.8-122.1 97.2 19.3 -1.4 4.2 39 33 A T T 3 S+ 0 0 0 -2,-0.5 166,-0.4 1,-0.2 194,-0.2 0.572 79.9 70.9 -75.8 -5.0 18.2 -2.7 7.6 40 34 A G T 3 S+ 0 0 0 164,-0.1 747,-2.3 88,-0.1 2,-0.3 0.447 102.7 36.3 -88.4 -2.1 15.2 -4.3 5.8 41 35 A S < - 0 0 0 -3,-1.1 87,-3.1 745,-0.2 92,-0.1 -0.850 62.4-143.9-138.6-177.7 17.2 -7.0 4.0 42 36 A S + 0 0 2 90,-0.4 2,-0.4 -2,-0.3 100,-0.3 0.292 62.7 98.4-135.9 8.2 20.2 -9.3 4.5 43 37 A N - 0 0 3 89,-0.1 83,-1.2 98,-0.1 2,-0.6 -0.843 57.4-145.9-104.2 141.1 22.0 -9.6 1.2 44 38 A F E +G 125 0B 8 -2,-0.4 62,-2.2 81,-0.2 2,-0.3 -0.911 36.8 161.7 -99.6 119.8 25.1 -7.6 0.2 45 39 A A E -Gh 124 106B 0 79,-2.2 79,-3.1 -2,-0.6 2,-0.3 -0.996 21.1-169.0-144.0 149.5 24.9 -6.9 -3.6 46 40 A V E -Gh 123 107B 0 60,-2.1 62,-3.0 -2,-0.3 77,-0.3 -0.987 36.6 -97.8-139.3 144.8 26.4 -4.6 -6.1 47 41 A G E + h 0 108B 1 75,-3.0 11,-2.7 -2,-0.3 62,-0.1 -0.358 38.2 179.4 -56.2 135.7 25.8 -3.8 -9.7 48 42 A A + 0 0 12 60,-2.4 12,-0.2 9,-0.2 -1,-0.1 0.121 59.0 40.4-130.5 20.4 28.2 -5.8 -11.7 49 43 A A S S- 0 0 35 59,-0.2 -1,-0.1 7,-0.1 9,-0.1 -0.971 98.0 -71.1-160.6 154.0 27.4 -4.8 -15.3 50 44 A P + 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 -0.105 49.0 172.3 -53.2 149.5 26.4 -1.6 -17.1 51 45 A H > - 0 0 54 3,-0.4 3,-1.9 1,-0.1 59,-0.0 -0.972 45.1-112.0-154.4 144.6 23.1 -0.0 -16.5 52 46 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.864 118.3 43.8 -49.6 -36.3 21.6 3.3 -17.6 53 47 A F T 3 S+ 0 0 78 64,-0.1 2,-0.5 -3,-0.1 65,-0.3 0.424 96.6 88.0 -93.3 3.4 21.7 4.5 -14.0 54 48 A L < - 0 0 18 -3,-1.9 -3,-0.4 1,-0.1 3,-0.1 -0.878 44.6-176.5-107.8 132.9 25.1 3.2 -12.9 55 49 A H S S+ 0 0 142 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.724 80.1 10.9 -90.8 -25.8 28.2 5.3 -13.3 56 50 A R - 0 0 87 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.950 65.5-178.2-146.6 165.5 30.3 2.4 -12.0 57 51 A Y - 0 0 72 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.978 39.0 -77.3-161.2 163.4 30.0 -1.3 -11.1 58 52 A Y - 0 0 2 -11,-2.7 2,-0.7 -2,-0.3 -31,-0.1 -0.494 34.4-162.1 -70.4 124.6 31.9 -4.2 -9.7 59 53 A Q > - 0 0 85 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.874 5.9-174.4-112.8 96.5 34.3 -5.9 -12.2 60 54 A R G > S+ 0 0 46 -2,-0.7 3,-1.6 1,-0.3 6,-0.3 0.820 79.9 64.5 -60.0 -36.0 35.1 -9.3 -10.8 61 55 A Q G 3 S+ 0 0 196 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.649 101.5 53.0 -64.1 -16.2 37.7 -10.1 -13.5 62 56 A L G < S+ 0 0 100 -3,-1.6 2,-0.6 -33,-0.0 -1,-0.3 0.425 91.1 85.6 -99.2 -0.0 39.8 -7.2 -12.1 63 57 A S X - 0 0 10 -3,-1.6 3,-0.9 -4,-0.2 -36,-0.1 -0.906 57.8-163.7-105.5 120.0 39.9 -8.4 -8.5 64 58 A S T 3 S+ 0 0 103 -36,-2.5 -1,-0.1 -2,-0.6 -4,-0.0 0.649 91.1 54.3 -72.9 -16.4 42.6 -11.0 -7.7 65 59 A T T 3 S+ 0 0 31 -37,-0.3 -1,-0.2 25,-0.1 2,-0.1 0.435 78.9 125.1 -99.6 2.1 40.8 -11.9 -4.5 66 60 A Y < - 0 0 56 -3,-0.9 2,-0.4 -6,-0.3 23,-0.2 -0.358 41.1-165.3 -62.9 136.0 37.4 -12.7 -6.1 67 61 A R E -I 88 0B 144 21,-2.6 21,-2.1 -2,-0.1 2,-0.5 -0.993 13.7-138.4-126.1 125.0 36.0 -16.2 -5.4 68 62 A D E -I 87 0B 89 -2,-0.4 19,-0.3 19,-0.2 18,-0.1 -0.717 11.4-168.7 -85.4 122.0 33.2 -17.5 -7.6 69 63 A L E - 0 0 68 17,-2.1 18,-0.2 -2,-0.5 -1,-0.1 0.494 29.9-138.8 -84.2 -4.5 30.5 -19.4 -5.6 70 64 A R E + 0 0 212 16,-0.6 2,-0.3 1,-0.1 17,-0.1 0.892 63.5 112.0 50.1 47.8 29.0 -20.7 -8.9 71 65 A K E - 0 0 98 15,-0.4 15,-3.1 2,-0.0 -2,-0.2 -0.981 60.5-132.8-152.3 135.9 25.4 -20.1 -7.7 72 66 A G E -I 85 0B 46 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.402 19.6-164.7 -85.1 163.9 22.7 -17.7 -8.8 73 67 A V E -I 84 0B 4 11,-2.0 11,-2.8 -2,-0.1 2,-0.4 -0.991 6.4-162.6-150.8 142.4 20.6 -15.6 -6.4 74 68 A Y E -I 83 0B 82 -2,-0.3 9,-0.2 9,-0.2 -2,-0.0 -0.994 6.1-174.3-130.3 128.2 17.4 -13.7 -6.8 75 69 A V E -I 82 0B 0 7,-2.4 7,-2.0 -2,-0.4 2,-0.4 -0.945 1.8-174.1-129.0 117.1 16.1 -11.0 -4.4 76 70 A P E -I 81 0B 8 0, 0.0 712,-2.8 0, 0.0 5,-0.2 -0.859 8.9-168.8-104.4 141.2 12.7 -9.3 -4.7 77 71 A Y B -O 787 0C 6 3,-3.0 3,-0.3 -2,-0.4 710,-0.2 -0.645 47.3 -85.9-117.2 177.4 11.8 -6.4 -2.4 78 72 A T S S+ 0 0 33 708,-1.9 2,-0.4 1,-0.3 708,-0.2 0.912 125.7 12.6 -50.4 -43.9 8.5 -4.6 -1.6 79 73 A Q S S+ 0 0 102 706,-2.3 706,-0.4 707,-0.2 -1,-0.3 -0.981 125.0 16.4-135.3 124.0 9.5 -2.5 -4.7 80 74 A G - 0 0 11 -2,-0.4 -3,-3.0 -3,-0.3 2,-0.3 -0.066 57.6-157.8 101.4 155.4 12.3 -3.5 -7.0 81 75 A K E -IJ 76 112B 84 31,-1.7 31,-2.4 -5,-0.2 2,-0.3 -0.987 3.0-162.1-162.7 158.9 14.2 -6.7 -7.6 82 76 A W E -IJ 75 111B 3 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.4 -0.989 12.4-143.0-148.9 161.2 17.5 -8.0 -9.0 83 77 A E E +IJ 74 110B 76 27,-3.1 26,-2.3 -2,-0.3 27,-1.9 -0.961 34.7 159.9-120.5 136.2 19.1 -11.2 -10.3 84 78 A G E -IJ 73 108B 3 -11,-2.8 -11,-2.0 -2,-0.4 2,-0.5 -0.899 38.1-107.7-151.4-177.5 22.8 -11.9 -9.6 85 79 A E E -IJ 72 107B 86 22,-2.1 22,-2.9 -2,-0.3 -13,-0.2 -0.957 35.6-127.1-120.7 129.0 25.7 -14.3 -9.2 86 80 A L E + J 0 106B 1 -15,-3.1 -17,-2.1 -2,-0.5 -16,-0.6 -0.440 43.4 127.9 -81.4 149.1 27.2 -15.3 -5.9 87 81 A G E -IJ 68 105B 2 18,-1.1 18,-2.8 -19,-0.3 2,-0.3 -0.936 42.8-114.3-170.9-174.9 30.8 -15.0 -4.8 88 82 A T E +IJ 67 104B 17 -21,-2.1 -21,-2.6 -2,-0.3 2,-0.3 -0.952 31.6 158.2-136.7 157.3 33.1 -13.6 -2.1 89 83 A D E - J 0 103B 0 14,-1.6 14,-2.6 -2,-0.3 2,-0.3 -0.966 46.9 -77.3-165.2 171.2 35.7 -11.0 -2.0 90 84 A L E - 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