==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUL-04 1TZS . COMPND 2 MOLECULE: CATHEPSIN E; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,B.GERHARTZ,S.WORPENBERG,J.TRAPPE,J.EDER . 336 5 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 . 1 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 . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 0 0 0 1 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 3 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 PARALLEL BRIDGES PER LADDER . 2 7 1 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 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 14 A K 0 0 198 0, 0.0 107,-0.3 0, 0.0 75,-0.1 0.000 360.0 360.0 360.0 166.7 -10.5 11.8 42.4 2 15 A E > + 0 0 51 73,-0.6 3,-1.5 105,-0.2 4,-0.2 -0.765 360.0 177.5-125.0 81.8 -9.8 9.7 39.4 3 16 A P T 3 S+ 0 0 4 0, 0.0 72,-0.4 0, 0.0 3,-0.2 0.767 82.6 37.8 -54.4 -32.5 -6.0 9.6 39.1 4 17 A L T >> S+ 0 0 2 102,-0.7 3,-2.5 1,-0.2 4,-0.6 0.153 74.9 121.6-111.0 19.7 -6.0 7.3 36.1 5 18 A I G X4 S+ 0 0 82 -3,-1.5 3,-0.6 1,-0.3 4,-0.2 0.754 71.2 60.2 -54.1 -29.3 -9.1 8.6 34.2 6 19 A N G 34 S+ 0 0 64 -3,-0.2 212,-0.3 1,-0.2 -1,-0.3 0.444 107.8 45.8 -80.9 1.5 -7.0 9.3 31.1 7 20 A Y G <4 S+ 0 0 16 -3,-2.5 -1,-0.2 210,-0.1 -2,-0.2 0.402 88.9 85.5-118.0 -4.3 -6.1 5.6 30.8 8 21 A L S << S+ 0 0 54 -4,-0.6 2,-0.2 -3,-0.6 3,-0.1 0.554 76.3 81.2 -77.2 -7.9 -9.5 4.1 31.4 9 22 A D S S- 0 0 107 1,-0.2 209,-0.0 -4,-0.2 104,-0.0 -0.631 104.3 -40.5 -99.4 159.8 -10.5 4.4 27.7 10 23 A M S S+ 0 0 75 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.298 76.9 159.5 -17.9 111.1 -9.7 2.0 24.9 11 24 A E - 0 0 18 -3,-0.1 2,-0.4 323,-0.0 205,-0.1 -0.829 40.6-116.0-135.2 172.8 -6.1 1.0 25.3 12 25 A Y - 0 0 25 203,-0.3 2,-0.3 -2,-0.3 17,-0.3 -0.888 34.1-157.4-109.6 144.3 -3.8 -1.8 24.3 13 26 A F - 0 0 21 321,-2.4 321,-1.7 -2,-0.4 2,-0.3 -0.902 14.2-176.4-127.7 157.2 -2.3 -4.0 26.9 14 27 A G E -A 27 0A 0 13,-2.2 13,-2.6 -2,-0.3 2,-0.4 -0.843 24.9-115.3-137.3 172.5 0.6 -6.3 27.4 15 28 A T E +A 26 0A 54 317,-0.3 75,-0.3 -2,-0.3 2,-0.3 -0.897 29.0 173.6-118.0 144.6 1.8 -8.6 30.2 16 29 A I E -A 25 0A 2 9,-2.2 9,-2.4 -2,-0.4 2,-0.3 -0.911 18.5-137.5-139.9 167.0 4.8 -8.4 32.4 17 30 A S E -AB 24 88A 19 71,-1.8 71,-2.6 -2,-0.3 2,-0.4 -0.967 11.4-168.3-130.6 146.9 6.2 -10.3 35.4 18 31 A I E > +AB 23 87A 0 5,-1.9 5,-1.3 -2,-0.3 69,-0.2 -0.999 48.5 3.2-136.1 135.3 7.8 -9.2 38.6 19 32 A G T 5S- 0 0 1 67,-2.0 4,-0.1 -2,-0.4 40,-0.1 -0.075 88.4 -46.9 88.4 173.1 9.6 -11.2 41.3 20 33 A S T 5S+ 0 0 23 1,-0.2 40,-2.4 2,-0.1 41,-0.3 -0.971 131.5 30.2-132.4 113.8 10.6 -14.8 41.8 21 34 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.563 120.2-102.7 -68.3 159.3 8.5 -16.7 41.3 22 35 A P T 5 - 0 0 86 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.187 28.8-158.7 -56.2 136.9 6.9 -14.4 38.6 23 36 A Q E < -A 18 0A 33 -5,-1.3 -5,-1.9 -4,-0.1 2,-0.2 -0.986 20.8-137.7-116.7 117.7 3.8 -12.4 39.5 24 37 A N E +A 17 0A 96 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.522 22.9 179.5 -84.3 146.4 2.0 -11.4 36.3 25 38 A F E -A 16 0A 3 -9,-2.4 -9,-2.2 -2,-0.2 2,-0.6 -0.996 26.9-132.6-143.3 143.6 0.4 -8.0 35.6 26 39 A T E +A 15 0A 35 -2,-0.3 90,-3.7 -11,-0.2 91,-1.7 -0.869 40.9 174.2 -94.7 124.9 -1.4 -6.5 32.7 27 40 A V E -Ac 14 117A 0 -13,-2.6 -13,-2.2 -2,-0.6 2,-0.5 -0.879 33.6-122.0-132.1 165.4 0.1 -3.1 31.9 28 41 A I E - c 0 118A 2 89,-1.3 91,-3.0 -2,-0.3 2,-0.9 -0.916 23.9-134.4-106.2 128.2 -0.1 -0.2 29.4 29 42 A F E - c 0 119A 12 -2,-0.5 2,-0.6 -17,-0.3 91,-0.2 -0.764 31.9-170.6 -84.8 110.3 3.1 0.7 27.7 30 43 A D E > - c 0 120A 0 89,-1.9 91,-3.0 -2,-0.9 3,-1.3 -0.886 30.2-179.1-115.1 107.2 3.0 4.4 27.9 31 44 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.6 1,-0.3 92,-0.2 0.448 85.5 71.4 -77.7 1.2 5.5 6.7 26.1 32 45 A G T 3 S+ 0 0 11 156,-0.1 2,-0.3 90,-0.1 -1,-0.3 0.366 106.0 28.9 -96.2 1.0 3.7 9.5 27.8 33 46 A S < - 0 0 9 -3,-1.3 89,-2.6 86,-0.1 88,-0.6 -0.902 63.8-146.7-148.2 173.3 5.1 8.6 31.3 34 47 A S + 0 0 2 92,-0.3 2,-0.3 -2,-0.3 100,-0.2 0.398 62.2 90.7-131.2 2.4 8.3 7.1 32.6 35 48 A N - 0 0 15 91,-0.1 85,-2.4 98,-0.1 2,-0.5 -0.701 58.1-143.0-102.6 156.6 7.6 5.1 35.7 36 49 A L E +D 119 0A 7 -2,-0.3 64,-3.0 62,-0.3 2,-0.3 -0.966 33.0 158.4-113.4 128.9 6.6 1.5 36.2 37 50 A W E -De 118 100A 1 81,-1.8 81,-1.3 -2,-0.5 64,-0.2 -0.992 16.9-177.2-151.1 150.4 4.1 0.8 39.0 38 51 A V E - e 0 101A 0 62,-2.1 64,-1.9 -2,-0.3 79,-0.2 -0.934 43.9 -77.6-141.5 161.5 1.6 -1.9 39.9 39 52 A P E - e 0 102A 0 0, 0.0 15,-3.3 0, 0.0 2,-0.3 -0.336 45.7-130.3 -63.2 141.3 -1.0 -2.2 42.7 40 53 A S B > -i 54 0B 3 62,-2.6 3,-2.3 13,-0.2 15,-0.2 -0.673 13.3-127.6 -90.9 148.7 0.5 -3.2 46.0 41 54 A V T 3 S+ 0 0 41 13,-2.2 -1,-0.1 1,-0.3 14,-0.1 0.729 113.6 66.1 -64.9 -16.8 -1.1 -6.0 48.0 42 55 A Y T 3 S+ 0 0 165 12,-0.3 2,-0.8 60,-0.1 -1,-0.3 0.521 74.1 99.6 -81.7 -5.8 -1.1 -3.3 50.7 43 56 A a < + 0 0 2 -3,-2.3 61,-0.1 59,-0.3 60,-0.1 -0.758 48.3 176.9 -80.9 112.9 -3.7 -1.3 48.7 44 57 A T + 0 0 118 -2,-0.8 -1,-0.1 59,-0.3 60,-0.1 0.236 32.1 128.2-103.5 12.0 -6.9 -2.2 50.4 45 58 A S S >> S- 0 0 14 58,-0.4 3,-1.5 1,-0.1 4,-1.0 -0.358 70.9-121.0 -65.4 147.6 -9.1 0.1 48.4 46 59 A P G >4 S+ 0 0 86 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.872 113.9 62.3 -57.6 -34.1 -12.2 -1.7 46.9 47 60 A A G 34 S+ 0 0 3 1,-0.2 3,-0.2 2,-0.2 -2,-0.0 0.710 101.8 49.7 -64.2 -23.6 -10.8 -0.6 43.5 48 61 A a G X4 S+ 0 0 0 -3,-1.5 3,-2.0 1,-0.2 -1,-0.2 0.700 90.6 79.4 -88.7 -21.2 -7.6 -2.7 44.0 49 62 A K T << S+ 0 0 135 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.749 90.2 53.8 -59.2 -25.7 -9.4 -5.9 45.0 50 63 A T T 3 S+ 0 0 89 -4,-0.5 -1,-0.3 -3,-0.2 2,-0.2 0.383 102.4 74.0 -91.4 4.8 -10.2 -6.7 41.4 51 64 A H S < S- 0 0 13 -3,-2.0 2,-0.3 65,-0.1 65,-0.1 -0.717 91.6 -95.4-115.6 166.8 -6.6 -6.5 40.2 52 65 A S - 0 0 56 -2,-0.2 2,-0.4 -26,-0.1 -2,-0.1 -0.632 46.1-158.5 -74.4 134.5 -3.4 -8.4 40.5 53 66 A R - 0 0 87 -2,-0.3 -13,-0.2 -15,-0.1 2,-0.2 -0.976 18.6-112.5-123.1 131.0 -1.5 -6.9 43.4 54 67 A F B -i 40 0B 0 -15,-3.3 -13,-2.2 -2,-0.4 -12,-0.3 -0.392 24.6-161.5 -65.4 130.4 2.2 -7.3 44.0 55 68 A Q > - 0 0 85 -2,-0.2 3,-1.5 -15,-0.2 4,-0.3 -0.855 5.1-171.5-116.1 94.4 3.1 -9.4 47.0 56 69 A P G > S+ 0 0 19 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.823 81.6 61.3 -51.6 -41.4 6.8 -8.6 48.0 57 70 A S G 3 S+ 0 0 98 1,-0.3 -2,-0.0 3,-0.0 5,-0.0 0.712 98.7 57.3 -64.4 -21.2 7.0 -11.4 50.6 58 71 A Q G < S+ 0 0 114 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.530 94.1 79.9 -87.5 -5.4 6.4 -14.1 47.9 59 72 A S X - 0 0 9 -3,-1.6 3,-1.2 -4,-0.3 -1,-0.1 -0.899 59.1-164.7-109.4 117.0 9.4 -12.9 45.9 60 73 A S T 3 S+ 0 0 105 -40,-2.4 -1,-0.1 -2,-0.6 -3,-0.0 0.722 90.7 53.2 -67.6 -21.8 12.8 -14.0 46.9 61 74 A T T 3 S+ 0 0 60 -41,-0.3 -1,-0.2 25,-0.1 2,-0.2 0.316 83.6 114.7 -98.4 9.1 14.5 -11.4 44.7 62 75 A Y < + 0 0 41 -3,-1.2 2,-0.3 -6,-0.3 23,-0.2 -0.531 34.9 168.2 -83.2 145.4 12.6 -8.4 46.1 63 76 A S B -F 84 0A 66 21,-2.2 21,-2.3 -2,-0.2 3,-0.1 -0.977 30.1-125.1-150.5 155.9 14.3 -5.5 48.0 64 77 A Q - 0 0 123 -2,-0.3 19,-0.2 19,-0.2 34,-0.0 -0.919 5.4-160.0-111.2 116.8 13.3 -2.1 49.2 65 78 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 18,-0.1 0.823 43.9-120.0 -60.8 -30.9 15.4 1.0 48.2 66 79 A G S S+ 0 0 66 16,-0.6 2,-0.2 1,-0.4 17,-0.1 0.035 75.1 111.3 115.3 -27.0 13.9 2.9 51.1 67 80 A Q - 0 0 84 1,-0.1 15,-2.3 14,-0.1 -1,-0.4 -0.488 54.2-145.0 -82.4 149.5 12.2 5.8 49.2 68 81 A S E -G 81 0A 89 13,-0.3 2,-0.3 -2,-0.2 13,-0.3 -0.453 19.3-142.6-100.1-179.3 8.5 6.2 48.9 69 82 A F E -G 80 0A 15 11,-3.2 11,-2.2 -2,-0.2 2,-0.3 -0.977 20.6-173.2-148.7 163.2 6.8 7.6 45.8 70 83 A S E -G 79 0A 61 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.931 13.1-169.9-155.8 126.1 4.0 9.7 44.4 71 84 A I E -G 78 0A 7 7,-3.0 7,-2.3 -2,-0.3 2,-0.4 -0.902 7.0-156.0-123.7 153.5 3.0 10.2 40.7 72 85 A Q E +G 77 0A 116 -2,-0.3 5,-0.2 5,-0.2 -68,-0.0 -0.989 16.6 178.2-130.3 131.7 0.6 12.6 38.9 73 86 A Y S S- 0 0 40 3,-0.8 4,-0.1 -2,-0.4 -1,-0.1 0.185 70.3 -88.1-112.3 11.4 -1.1 12.1 35.6 74 87 A G S S+ 0 0 60 2,-0.2 3,-0.1 215,-0.0 -70,-0.1 0.261 117.7 65.3 103.2 -11.1 -2.9 15.4 35.8 75 88 A T S S- 0 0 52 1,-0.5 -73,-0.6 -72,-0.4 -70,-0.1 -0.031 112.4 -29.7-134.4 34.0 -6.0 14.4 37.7 76 89 A G - 0 0 3 -73,-0.1 -3,-0.8 -75,-0.1 -1,-0.5 -0.316 68.9 -87.2 129.4 147.0 -4.9 13.3 41.1 77 90 A S E -G 72 0A 55 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.531 23.6-157.6 -89.2 152.4 -1.9 11.7 42.8 78 91 A L E -G 71 0A 0 -7,-2.3 -7,-3.0 -2,-0.2 2,-0.3 -0.998 21.5-174.1-126.0 124.2 -1.1 8.0 43.3 79 92 A S E +G 70 0A 32 -2,-0.4 24,-3.0 -9,-0.2 25,-1.9 -0.880 21.4 115.6-128.1 158.5 1.3 7.1 46.1 80 93 A G E -GH 69 102A 12 -11,-2.2 -11,-3.2 -2,-0.3 2,-0.3 -0.884 57.4 -63.9-179.5-152.4 3.1 4.2 47.6 81 94 A I E -GH 68 101A 55 20,-1.5 20,-2.7 -13,-0.3 2,-0.4 -0.816 43.6-110.0-120.5 164.1 6.6 3.0 48.1 82 95 A I E - H 0 100A 5 -15,-2.3 -16,-0.6 -2,-0.3 2,-0.3 -0.773 34.6-174.5 -95.5 136.7 9.4 2.1 45.7 83 96 A G E - H 0 99A 0 16,-3.3 16,-2.6 -2,-0.4 2,-0.4 -0.835 13.7-146.1-126.0 165.0 10.5 -1.5 45.3 84 97 A A E +FH 63 98A 6 -21,-2.3 -21,-2.2 -2,-0.3 2,-0.3 -0.995 36.3 122.0-133.4 138.8 13.2 -3.3 43.4 85 98 A D E - H 0 97A 3 12,-2.0 12,-1.0 -2,-0.4 2,-0.4 -0.956 63.9 -60.7-175.2 178.9 13.0 -6.8 41.8 86 99 A Q E - 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