==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 18-JUL-01 1EB1 . COMPND 2 MOLECULE: PEPTIDE INHIBITOR; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.FRIEDRICH,T.STEINMETZER,W.BODE . 297 4 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13175.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 61.6 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 . 80 26.9 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 . 2 0.7 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 . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 0 2 0 0 1 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 . 6 4 0 4 3 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 . 1 0 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 10 A D 0 0 107 0, 0.0 2,-0.5 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 36.1 23.0 -11.5 34.3 2 11 A Y - 0 0 29 33,-0.2 79,-0.2 79,-0.0 33,-0.1 -0.852 360.0-123.6-102.9 126.2 21.8 -7.9 34.7 3 12 A E - 0 0 80 77,-1.8 -1,-0.0 -2,-0.5 0, 0.0 -0.405 44.1 -99.4 -62.3 134.1 23.0 -5.7 37.6 4 13 A P - 0 0 90 0, 0.0 78,-0.1 0, 0.0 -1,-0.1 -0.266 26.3-120.7 -61.4 140.1 19.9 -4.5 39.5 5 14 A I - 0 0 9 -3,-0.1 5,-0.1 76,-0.0 3,-0.1 -0.710 34.3-130.1 -82.4 105.1 18.5 -1.0 38.8 6 15 A P > - 0 0 52 0, 0.0 3,-1.1 0, 0.0 4,-0.5 -0.207 22.9-106.6 -56.4 140.9 18.6 0.7 42.2 7 16 A E T 3 S+ 0 0 149 1,-0.2 2,-2.4 2,-0.2 0, 0.0 0.024 108.6 53.5 -54.2-178.3 15.5 2.5 43.4 8 17 A E T 3 S+ 0 0 180 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.385 102.0 69.7 80.3 -57.6 15.7 6.2 43.2 9 18 A A < 0 0 26 -2,-2.4 80,-0.4 -3,-1.1 -2,-0.2 0.869 360.0 360.0 -56.9 -40.1 16.6 5.5 39.6 10 19 A F 0 0 103 -4,-0.5 -1,-0.2 -5,-0.1 -3,-0.1 0.975 360.0 360.0 -64.8 360.0 13.0 4.3 38.9 11 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 12 16 H I 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.1 24.4 -8.0 16.3 13 17 H V B +A 210 0A 10 197,-2.9 197,-1.4 1,-0.2 143,-0.1 -0.832 360.0 0.7-100.0 133.3 26.5 -10.6 14.4 14 18 H E S S+ 0 0 117 141,-0.5 -1,-0.2 -2,-0.4 194,-0.2 0.829 101.2 122.2 62.7 34.9 29.9 -9.6 13.0 15 19 H G - 0 0 30 -3,-0.4 2,-0.3 159,-0.1 159,-0.2 -0.219 54.0-121.3-105.6-158.9 29.7 -6.0 14.3 16 20 H S E -B 173 0B 59 157,-2.2 157,-2.2 -2,-0.1 2,-0.1 -0.913 36.1 -74.1-141.7 168.9 32.0 -4.1 16.5 17 21 H D E -B 172 0B 106 -2,-0.3 155,-0.2 155,-0.2 2,-0.1 -0.430 52.4-120.3 -64.1 137.3 31.9 -2.3 19.9 18 22 H A - 0 0 6 153,-2.9 2,-0.2 59,-0.1 -1,-0.1 -0.436 24.8-115.8 -74.0 152.2 30.1 1.1 19.6 19 23 H E > - 0 0 43 1,-0.1 3,-1.8 -2,-0.1 4,-0.3 -0.517 46.8 -80.9 -81.3 159.9 32.1 4.2 20.5 20 24 H I T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.2 57,-0.1 -0.415 116.5 5.3 -62.3 130.7 30.8 6.2 23.4 21 25 H G T 3 S+ 0 0 13 -2,-0.1 256,-0.3 104,-0.1 -1,-0.3 0.628 91.6 128.2 70.5 13.6 27.9 8.5 22.4 22 26 H M S < S+ 0 0 6 -3,-1.8 -2,-0.1 1,-0.3 263,-0.1 0.805 82.3 22.4 -70.8 -30.5 27.8 7.0 19.0 23 27 H S S > S+ 0 0 11 -4,-0.3 3,-2.5 102,-0.1 -1,-0.3 -0.547 70.9 167.2-136.8 66.8 24.1 6.1 19.0 24 28 H P T 3 S+ 0 0 2 0, 0.0 103,-1.6 0, 0.0 51,-0.2 0.586 75.6 59.8 -62.0 -11.1 22.6 8.5 21.6 25 29 H W T 3 S+ 0 0 2 101,-0.2 18,-2.1 103,-0.1 104,-0.1 0.412 77.3 122.5 -93.6 -2.6 19.1 7.7 20.5 26 30 H Q E < -K 42 0C 3 -3,-2.5 49,-0.9 16,-0.2 2,-0.4 -0.420 42.3-171.4 -65.0 135.0 19.6 4.0 21.3 27 31 H V E -KL 41 74C 0 14,-2.2 14,-1.4 47,-0.2 2,-0.5 -0.956 16.0-143.5-128.7 144.2 17.0 2.8 23.8 28 32 H M E -KL 40 73C 0 45,-2.4 45,-2.1 -2,-0.4 2,-0.7 -0.934 9.5-146.5-108.5 129.0 16.8 -0.5 25.7 29 33 H L E -KL 39 72C 0 10,-3.0 9,-2.8 -2,-0.5 10,-1.3 -0.872 26.3-169.6 -95.1 118.0 13.3 -2.1 26.3 30 34 H F E -KL 37 71C 0 41,-2.9 41,-1.8 -2,-0.7 2,-0.4 -0.940 21.6-135.0-118.6 127.9 13.7 -3.9 29.6 31 35 H R E > -KL 36 70C 63 5,-2.7 5,-1.2 -2,-0.4 39,-0.2 -0.698 15.6-144.9 -79.9 128.3 11.2 -6.3 31.2 32 36 H K T 5S+ 0 0 61 37,-2.1 3,-0.3 -2,-0.4 -1,-0.2 0.948 78.3 49.9 -57.3 -54.9 10.9 -5.4 34.9 33 36AH S T 5S+ 0 0 99 1,-0.4 -1,-0.2 36,-0.4 2,-0.1 -0.940 119.5 19.5-145.7 120.8 10.5 -8.9 36.2 34 37 H P T 5S- 0 0 83 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.498 104.9-123.6 -72.0 144.4 12.3 -11.1 35.5 35 38 H Q T 5 + 0 0 68 -3,-0.3 2,-0.3 -2,-0.1 -33,-0.2 -0.400 54.6 140.7 -60.1 117.2 14.8 -8.4 34.5 36 39 H E E < -K 31 0C 74 -5,-1.2 -5,-2.7 -2,-0.3 2,-0.5 -0.992 57.5-101.0-158.6 155.0 15.7 -9.0 30.9 37 40 H L E +K 30 0C 26 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.674 37.8 171.4 -77.4 121.4 16.5 -7.3 27.6 38 41 H L E - 0 0 25 -9,-2.8 2,-0.3 -2,-0.5 176,-0.2 0.846 56.2 -35.8 -97.1 -45.3 13.4 -7.5 25.4 39 42 H a E -K 29 0C 2 -10,-1.3 -10,-3.0 176,-0.1 -1,-0.4 -0.957 54.7 -98.4-165.8 175.1 14.2 -5.3 22.4 40 43 H G E +K 28 0C 1 176,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.488 37.8 174.3 -98.3 176.1 16.0 -2.2 21.2 41 44 H A E -K 27 0C 0 -14,-1.4 -14,-2.2 -2,-0.2 2,-0.3 -0.905 21.3-121.7-167.3 177.2 14.1 1.1 20.6 42 45 H S E -KM 26 50C 0 8,-2.1 8,-2.9 -2,-0.3 2,-0.6 -0.995 13.9-123.9-141.3 149.1 15.0 4.6 19.6 43 46 H L E + M 0 49C 0 -18,-2.1 86,-2.2 -2,-0.3 6,-0.2 -0.799 30.0 167.5 -91.9 118.4 14.5 8.1 21.1 44 47 H I - 0 0 22 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.472 69.9 -9.4-110.3 -5.8 12.7 10.5 18.7 45 48 H S S S- 0 0 35 3,-1.0 3,-0.5 85,-0.1 -1,-0.3 -0.925 88.0 -80.2-170.6 177.7 11.8 13.3 21.2 46 49 H D S S+ 0 0 74 -2,-0.3 74,-2.1 1,-0.2 72,-0.1 0.712 129.2 26.3 -68.9 -13.1 12.0 13.8 25.0 47 50 H R S S+ 0 0 64 72,-0.2 69,-3.0 1,-0.1 2,-0.4 0.376 108.5 76.1-128.4 7.3 8.8 11.9 25.5 48 51 H W E - N 0 115C 16 -3,-0.5 -4,-2.3 67,-0.2 -3,-1.0 -0.978 48.7-174.1-128.4 129.8 8.4 9.5 22.5 49 52 H V E -MN 43 114C 0 65,-2.6 65,-2.5 -2,-0.4 2,-0.4 -0.961 13.7-147.9-121.3 137.3 10.2 6.2 21.9 50 53 H L E +MN 42 113C 0 -8,-2.9 -8,-2.1 -2,-0.4 2,-0.3 -0.856 29.2 145.8-106.6 137.2 9.9 4.2 18.7 51 54 H T E - N 0 112C 0 61,-2.7 61,-2.2 -2,-0.4 2,-0.4 -0.849 49.7 -71.0-151.9-172.2 10.1 0.5 18.4 52 55 H A > - 0 0 0 -12,-0.4 3,-1.8 -2,-0.3 4,-0.5 -0.741 34.1-133.5 -89.9 137.2 8.7 -2.6 16.6 53 56 H A G >> S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.3 3,-1.8 0.873 105.0 62.8 -57.3 -35.3 5.1 -3.6 17.3 54 57 H H G 34 S+ 0 0 4 1,-0.3 -1,-0.3 2,-0.2 162,-0.0 0.616 90.8 66.8 -68.5 -12.0 6.2 -7.3 17.8 55 58 H a G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.721 117.3 25.3 -75.3 -23.3 8.4 -6.2 20.8 56 59 H L T <4 S+ 0 0 1 -3,-1.8 9,-2.5 -4,-0.5 2,-0.4 0.697 130.8 32.1-109.8 -32.1 5.1 -5.4 22.6 57 60 H L E < +Q 64 0D 27 -4,-2.8 -1,-0.3 7,-0.2 7,-0.2 -0.955 55.2 139.4-136.7 116.8 2.5 -7.6 20.9 58 60AH Y E > > -Q 63 0D 15 5,-3.2 3,-2.1 -2,-0.4 5,-1.7 -0.550 21.4-173.9-153.9 80.3 3.0 -11.1 19.4 59 60BH P G > 5S+ 0 0 45 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.792 79.7 69.6 -46.0 -37.3 0.1 -13.5 20.2 60 60CH P G 3 5S+ 0 0 66 0, 0.0 44,-0.0 0, 0.0 -2,-0.0 0.845 110.2 35.0 -54.8 -29.8 1.9 -16.5 18.7 61 60DH W G < 5S- 0 0 135 -3,-2.1 3,-0.1 2,-0.1 0, 0.0 0.107 119.6-107.1-108.3 17.7 4.3 -16.3 21.6 62 60EH D T < 5 + 0 0 156 -3,-2.3 2,-0.6 1,-0.2 -5,-0.0 0.826 70.0 150.8 59.0 35.5 1.8 -15.2 24.2 63 60FH K E < +Q 58 0D 42 -5,-1.7 -5,-3.2 2,-0.0 -1,-0.2 -0.877 7.5 138.4-105.0 122.0 3.3 -11.7 24.2 64 60GH N E -Q 57 0D 116 -2,-0.6 -7,-0.2 -7,-0.2 -8,-0.1 -0.563 32.9-163.3-159.0 81.2 1.1 -8.7 24.9 65 60HH F - 0 0 22 -9,-2.5 2,-0.3 -2,-0.1 -9,-0.0 -0.345 4.8-151.5 -73.1 150.7 2.9 -6.3 27.2 66 60IH T >> - 0 0 73 -2,-0.1 3,-2.7 1,-0.1 4,-0.5 -0.857 35.5 -98.5-116.9 153.9 1.1 -3.6 29.1 67 61 H E G >4 S+ 0 0 33 -2,-0.3 3,-1.5 1,-0.3 25,-0.4 0.823 120.5 52.8 -37.2 -51.9 2.8 -0.3 30.1 68 62 H N G 34 S+ 0 0 105 1,-0.3 -1,-0.3 25,-0.1 -36,-0.1 0.554 95.4 68.7 -69.7 -8.4 3.7 -1.4 33.7 69 63 H D G <4 S+ 0 0 62 -3,-2.7 -37,-2.1 -37,-0.1 -36,-0.4 0.711 101.8 59.4 -80.1 -17.1 5.4 -4.6 32.5 70 64 H L E << -L 31 0C 0 -3,-1.5 22,-0.5 -4,-0.5 2,-0.3 -0.715 50.4-176.5-121.7 164.3 8.2 -2.4 31.0 71 65 H L E -LO 30 91C 0 -41,-1.8 -41,-2.9 -2,-0.2 2,-0.4 -0.955 20.1-142.1-142.9 149.2 10.9 0.2 31.6 72 66 H V E -LO 29 90C 0 18,-2.4 18,-2.4 -2,-0.3 2,-0.5 -0.972 7.2-154.1-120.2 140.0 13.2 1.8 29.0 73 67 H R E -LO 28 89C 0 -45,-2.1 -45,-2.4 -2,-0.4 2,-0.3 -0.973 15.4-170.3-114.1 123.9 16.8 2.6 29.7 74 68 H I E +LO 27 88C 0 14,-2.8 14,-2.5 -2,-0.5 -47,-0.2 -0.860 60.9 32.0-117.3 144.6 18.3 5.5 27.7 75 69 H G S S+ 0 0 7 -49,-0.9 -1,-0.2 -2,-0.3 2,-0.1 0.562 83.5 151.8 88.6 12.2 21.9 6.6 27.4 76 70 H K + 0 0 12 -50,-0.3 -1,-0.2 -3,-0.2 -50,-0.1 -0.369 27.4 158.4 -83.4 156.8 23.4 3.1 27.8 77 71 H H + 0 0 41 1,-0.3 94,-2.0 4,-0.1 -1,-0.2 0.442 66.1 68.2-131.2 -62.1 26.6 1.5 26.5 78 72 H S B S-R 170 0E 12 92,-0.2 -1,-0.3 1,-0.1 92,-0.3 -0.428 71.2-148.1 -64.5 138.3 27.1 -1.4 28.8 79 73 H R S S+ 0 0 2 90,-2.6 -1,-0.1 89,-0.1 91,-0.1 0.977 88.9 22.1 -72.7 -55.6 24.5 -4.2 28.3 80 74 H T S S+ 0 0 6 89,-0.4 -77,-1.8 -78,-0.1 -1,-0.1 0.774 102.7 90.0 -87.8 -28.0 24.3 -5.6 31.9 81 75 H R S S- 0 0 124 88,-0.3 2,-0.7 -79,-0.2 -4,-0.1 -0.334 75.2-122.8 -76.8 150.2 25.7 -2.8 34.1 82 76 H Y - 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