==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-98 2WED . COMPND 2 MOLECULE: PENICILLOPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM JANTHINELLUM; . AUTHOR J.DING,M.E.FRASER,M.N.G.JAMES . 323 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12841.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 34.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 4 1.2 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 . 39 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 4 2 0 0 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 . 2 1 3 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 4 4 2 2 1 1 0 0 1 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 1 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 1 A A 0 0 126 0, 0.0 2,-0.2 0, 0.0 147,-0.2 0.000 360.0 360.0 360.0 147.1 36.8 31.3 2.0 2 2 A A B +a 148 0A 33 145,-2.4 147,-2.3 142,-0.1 148,-0.3 -0.627 360.0 152.4 -94.9 158.7 35.7 27.7 2.3 3 3 A S + 0 0 61 -2,-0.2 2,-0.3 145,-0.2 165,-0.2 -0.940 11.9 174.0-167.7 161.8 32.2 26.2 2.3 4 4 A G E -B 167 0B 9 163,-1.9 163,-3.1 -2,-0.3 2,-0.4 -0.979 25.9-129.2-169.3 166.7 30.8 22.9 1.3 5 5 A V E -B 166 0B 63 88,-0.5 2,-0.4 -2,-0.3 161,-0.2 -0.996 17.2-166.0-131.7 122.2 27.8 20.7 1.2 6 6 A A E -B 165 0B 5 159,-2.4 159,-2.4 -2,-0.4 2,-0.5 -0.915 18.2-135.2-106.1 135.5 27.8 17.1 2.6 7 7 A T E -B 164 0B 72 -2,-0.4 2,-0.3 157,-0.2 157,-0.3 -0.793 18.7-163.0 -94.1 129.4 24.9 14.9 1.6 8 8 A N E -B 163 0B 0 155,-1.6 155,-2.6 -2,-0.5 11,-0.2 -0.806 1.3-162.4-107.0 155.2 23.2 12.8 4.4 9 9 A T E -G 18 0C 56 9,-2.2 9,-2.5 -2,-0.3 2,-0.1 -0.995 16.4-126.7-141.2 131.8 21.0 9.8 3.9 10 10 A P E -G 17 0C 26 0, 0.0 7,-0.2 0, 0.0 3,-0.1 -0.474 18.2-138.6 -75.5 147.1 18.6 8.1 6.3 11 11 A T > - 0 0 20 5,-2.5 3,-2.2 1,-0.2 149,-0.2 -0.199 59.9 -38.4 -84.4-173.0 18.8 4.4 7.1 12 12 A A G > S+ 0 0 73 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 -0.196 134.4 1.8 -53.1 135.3 15.6 2.4 7.4 13 13 A N G 3 S- 0 0 57 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.680 119.7 -80.8 59.2 20.0 12.9 4.3 9.2 14 14 A D G < S+ 0 0 2 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.856 84.4 151.8 57.7 31.9 15.1 7.3 9.4 15 15 A E < - 0 0 101 -3,-1.8 2,-0.3 1,-0.2 285,-0.1 0.875 69.5 -7.7 -63.2 -35.2 16.7 5.7 12.4 16 16 A E - 0 0 14 -4,-0.1 -5,-2.5 201,-0.0 2,-0.5 -0.975 66.2-127.9-156.9 158.2 20.0 7.5 11.7 17 17 A Y E -G 10 0C 4 -2,-0.3 15,-0.7 -7,-0.2 2,-0.3 -0.974 22.9-159.7-114.8 124.3 21.5 9.7 9.0 18 18 A I E -GH 9 31C 24 -9,-2.5 -9,-2.2 -2,-0.5 13,-0.2 -0.830 9.1-176.9-105.7 153.2 24.9 8.8 7.5 19 19 A T E - H 0 30C 0 11,-2.2 11,-2.5 -2,-0.3 2,-0.2 -0.999 30.1-113.4-146.2 133.4 27.3 11.1 5.6 20 20 A P E - H 0 29C 65 0, 0.0 73,-0.4 0, 0.0 2,-0.4 -0.500 32.8-177.9 -72.3 141.3 30.6 10.1 4.0 21 21 A V E - H 0 28C 0 7,-2.6 7,-2.9 -2,-0.2 2,-0.6 -0.999 17.9-141.3-140.5 130.1 33.8 11.6 5.5 22 22 A T E -IH 91 27C 40 69,-2.4 69,-2.9 -2,-0.4 2,-0.5 -0.886 18.9-177.7-100.4 126.9 37.3 10.9 4.2 23 23 A I E > S-IH 90 26C 0 3,-3.1 3,-2.1 -2,-0.6 67,-0.2 -0.976 73.6 -18.4-127.0 116.4 40.0 10.5 6.7 24 24 A G T 3 S- 0 0 22 65,-2.2 -1,-0.2 -2,-0.5 34,-0.1 0.894 129.4 -52.4 55.9 39.0 43.6 10.0 5.5 25 25 A G T 3 S+ 0 0 70 64,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.375 117.2 110.0 80.4 -7.7 42.2 9.1 2.0 26 26 A T E < -H 23 0C 57 -3,-2.1 -3,-3.1 32,-0.0 2,-0.5 -0.907 61.9-140.1-101.1 131.3 39.8 6.4 3.3 27 27 A T E +H 22 0C 73 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.782 23.1 179.9 -93.4 131.0 36.0 7.2 3.1 28 28 A L E -H 21 0C 0 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.8 -0.899 30.2-121.9-127.8 150.3 33.8 6.1 6.1 29 29 A N E -H 20 0C 62 -2,-0.3 90,-3.0 -9,-0.2 2,-0.3 -0.852 39.8-176.0 -95.1 110.0 30.1 6.6 6.6 30 30 A L E -H 19 0C 0 -11,-2.5 -11,-2.2 -2,-0.8 2,-0.7 -0.775 29.5-125.4-109.4 156.1 29.6 8.5 9.9 31 31 A N E -Hj 18 121C 17 89,-2.2 91,-2.1 -2,-0.3 2,-0.5 -0.868 28.4-140.4 -95.9 113.5 26.6 9.6 11.9 32 32 A F E - j 0 122C 1 -15,-0.7 2,-0.5 -2,-0.7 91,-0.2 -0.698 22.8-170.0 -77.5 130.0 26.9 13.4 12.4 33 33 A D E > - j 0 123C 10 89,-2.8 91,-2.8 -2,-0.5 3,-1.3 -0.905 27.2-173.5-133.6 107.3 25.8 14.2 15.9 34 34 A T T 3 S+ 0 0 1 -2,-0.5 157,-0.5 1,-0.2 92,-0.2 0.495 85.7 69.2 -71.8 -4.2 25.1 17.7 17.3 35 35 A G T 3 S+ 0 0 15 90,-0.1 2,-0.3 155,-0.1 -1,-0.2 0.400 102.1 37.0 -93.3 -1.1 24.7 16.2 20.8 36 36 A S < - 0 0 9 -3,-1.3 89,-2.8 86,-0.1 88,-0.5 -0.929 63.8-141.2-147.5 164.4 28.4 15.1 21.3 37 37 A A + 0 0 2 92,-0.4 2,-0.4 -2,-0.3 100,-0.1 0.128 63.8 101.0-115.7 16.9 31.8 16.4 20.6 38 38 A D - 0 0 1 92,-0.1 85,-0.9 -5,-0.1 2,-0.7 -0.880 51.3-156.1-107.5 140.7 33.9 13.4 19.6 39 39 A L E +K 122 0C 5 -2,-0.4 64,-2.5 83,-0.3 2,-0.4 -0.934 33.0 162.3-107.7 107.9 34.9 12.3 16.2 40 40 A W E -Kl 121 103C 0 81,-2.3 81,-1.3 -2,-0.7 2,-0.3 -0.964 15.3-171.1-130.7 151.8 35.6 8.6 16.5 41 41 A V E -Kl 120 104C 0 62,-2.3 64,-2.4 -2,-0.4 79,-0.2 -0.944 34.3 -97.3-140.8 154.2 35.8 5.8 14.0 42 42 A F - 0 0 0 77,-2.4 15,-2.4 -2,-0.3 2,-0.3 -0.485 55.8-177.8 -61.6 145.9 36.1 2.0 13.7 43 43 A S B > -p 57 0D 0 62,-0.3 3,-1.6 13,-0.3 15,-0.2 -0.862 45.0 -96.5-144.3 174.6 39.8 1.2 13.2 44 44 A T T 3 S+ 0 0 54 13,-2.0 14,-0.1 1,-0.3 7,-0.1 0.511 111.8 76.4 -71.0 -7.3 42.3 -1.5 12.7 45 45 A E T 3 S+ 0 0 63 60,-0.3 -1,-0.3 12,-0.2 3,-0.1 0.559 78.2 90.0 -77.9 -13.6 42.9 -1.5 16.4 46 46 A L S < S- 0 0 6 -3,-1.6 61,-0.1 1,-0.1 5,-0.1 -0.502 98.4 -86.5 -76.2 158.1 39.6 -3.4 16.9 47 47 A P >> - 0 0 66 0, 0.0 3,-1.1 0, 0.0 4,-0.5 -0.295 44.5-112.4 -61.4 149.2 39.6 -7.2 16.9 48 48 A A H >> S+ 0 0 76 1,-0.3 3,-1.5 2,-0.2 4,-0.9 0.860 114.2 59.7 -55.3 -41.4 39.3 -8.4 13.4 49 49 A S H 34 S+ 0 0 97 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.808 103.9 52.0 -63.5 -24.8 35.8 -9.8 13.9 50 50 A Q H <4 S+ 0 0 46 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.562 101.4 61.2 -83.7 -12.8 34.5 -6.4 14.9 51 51 A Q H X< S+ 0 0 47 -3,-1.5 3,-1.4 -4,-0.5 -1,-0.2 0.696 78.4 113.6 -82.2 -25.3 35.9 -4.8 11.8 52 52 A S T 3< S+ 0 0 82 -4,-0.9 3,-0.1 1,-0.3 -3,-0.0 -0.242 79.3 17.1 -52.2 136.5 33.8 -6.9 9.5 53 53 A G T 3 S+ 0 0 63 1,-0.3 2,-0.3 64,-0.0 -1,-0.3 0.618 110.5 95.2 76.2 16.5 31.1 -5.1 7.5 54 54 A H S < S- 0 0 29 -3,-1.4 2,-0.5 65,-0.0 -1,-0.3 -0.927 74.9-124.0-136.0 156.2 32.7 -1.7 8.1 55 55 A S - 0 0 54 -2,-0.3 2,-0.3 -26,-0.1 -13,-0.3 -0.878 44.2-159.3 -90.4 137.4 35.1 0.7 6.4 56 56 A V - 0 0 33 -2,-0.5 2,-0.3 -15,-0.1 -13,-0.3 -0.916 17.5-122.0-130.1 146.3 37.9 1.2 8.9 57 57 A Y B -p 43 0D 1 -15,-2.4 -13,-2.0 -2,-0.3 -12,-0.2 -0.633 16.0-155.7 -81.0 136.5 40.6 3.8 9.6 58 58 A N >> - 0 0 65 -2,-0.3 3,-1.0 -15,-0.2 4,-0.6 -0.921 7.0-171.1-114.1 98.9 44.2 2.5 9.6 59 59 A P H 3> S+ 0 0 5 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.796 77.9 66.3 -63.0 -28.4 46.1 5.0 11.8 60 60 A S H 34 S+ 0 0 102 1,-0.2 5,-0.0 2,-0.2 -2,-0.0 0.768 95.9 57.2 -63.5 -30.9 49.5 3.6 10.9 61 61 A A H <4 S- 0 0 73 -3,-1.0 -1,-0.2 1,-0.1 -37,-0.0 0.858 132.6 -10.5 -69.6 -36.7 49.2 4.6 7.3 62 62 A T H < S+ 0 0 67 -4,-0.6 -2,-0.2 -3,-0.4 2,-0.1 0.486 101.3 102.7-142.8 -15.0 48.7 8.3 7.7 63 63 A G < - 0 0 21 -4,-2.1 2,-0.6 -5,-0.3 25,-0.2 -0.467 57.3-136.1 -86.6 154.8 48.0 9.4 11.3 64 64 A K E -M 87 0C 155 23,-2.1 23,-2.1 -2,-0.1 2,-0.1 -0.951 28.8-131.8-103.0 115.6 50.3 11.1 13.8 65 65 A E E -M 86 0C 117 -2,-0.6 2,-1.0 21,-0.2 21,-0.2 -0.381 2.7-142.8 -68.9 135.6 49.8 9.4 17.2 66 66 A L E > - 0 0 44 19,-2.7 3,-1.9 3,-0.1 19,-0.4 -0.866 30.7-135.4 -94.2 98.1 49.3 11.7 20.3 67 67 A S E 3 S+ 0 0 104 -2,-1.0 3,-0.1 1,-0.2 19,-0.0 -0.327 81.8 12.4 -60.8 136.3 51.4 9.6 22.8 68 68 A G E 3 S+ 0 0 66 1,-0.3 2,-0.3 66,-0.0 -1,-0.2 0.433 97.6 123.4 82.9 -4.3 49.7 9.2 26.2 69 69 A Y E < + 0 0 49 -3,-1.9 16,-0.6 16,-0.2 2,-0.3 -0.735 31.9 168.1 -92.1 146.0 46.3 10.5 25.0 70 70 A T E -MN 84 133C 72 63,-2.3 63,-2.9 -2,-0.3 2,-0.3 -0.908 17.3-153.9-146.9 168.8 43.1 8.4 25.2 71 71 A W E +M 83 0C 4 12,-1.8 12,-2.0 -2,-0.3 2,-0.3 -0.980 9.8 177.6-146.3 155.0 39.3 8.9 24.9 72 72 A S E -M 82 0C 77 -2,-0.3 2,-0.4 59,-0.3 10,-0.2 -0.900 9.0-178.1-159.2 128.4 36.2 7.2 26.3 73 73 A I E -M 81 0C 15 8,-2.7 8,-2.0 -2,-0.3 2,-0.4 -0.971 12.1-164.8-139.1 147.5 32.6 8.1 25.8 74 74 A S E -M 80 0C 93 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.999 16.5-148.7-132.3 130.2 29.2 6.9 27.0 75 75 A Y > - 0 0 37 4,-2.5 3,-2.7 -2,-0.4 -39,-0.0 -0.602 31.6 -97.7 -98.7 167.6 26.0 7.9 25.3 76 76 A G T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.729 121.5 56.5 -52.5 -33.0 22.4 8.4 26.6 77 77 A D T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.403 120.5-106.7 -82.5 1.8 21.4 4.9 25.5 78 78 A G S < S+ 0 0 56 -3,-2.7 -2,-0.1 1,-0.3 2,-0.1 0.374 77.0 132.7 91.5 -7.7 24.2 3.3 27.6 79 79 A S - 0 0 5 30,-0.1 -4,-2.5 -5,-0.1 2,-0.3 -0.373 33.1-176.8 -73.5 160.3 26.4 2.4 24.6 80 80 A S E -M 74 0C 44 -6,-0.2 29,-2.4 -3,-0.1 2,-0.3 -0.977 18.7-174.0-154.8 166.9 30.1 3.3 24.8 81 81 A A E +MO 73 108C 3 -8,-2.0 -8,-2.7 -2,-0.3 2,-0.3 -0.976 6.8 179.6-157.9 155.5 33.5 3.3 23.0 82 82 A S E +MO 72 107C 24 25,-2.3 24,-3.2 -2,-0.3 25,-2.1 -0.983 16.3 122.9-157.1 162.4 37.1 4.1 23.9 83 83 A G E -MO 71 105C 4 -12,-2.0 -12,-1.8 -2,-0.3 2,-0.2 -0.905 49.7 -57.4 176.6-155.6 40.5 4.2 22.2 84 84 A N E -MO 70 104C 19 20,-1.4 20,-1.8 -2,-0.3 2,-0.4 -0.619 44.8-112.4-112.1-179.1 43.6 6.3 21.4 85 85 A V E + O 0 103C 0 -16,-0.6 -19,-2.7 -19,-0.4 2,-0.3 -0.956 27.1 169.6-131.4 139.2 44.1 9.4 19.4 86 86 A F E -MO 65 102C 14 16,-2.2 16,-4.1 -2,-0.4 2,-0.4 -0.929 27.7-130.1-136.3 153.3 45.8 10.4 16.1 87 87 A T E +MO 64 101C 26 -23,-2.1 -23,-2.1 -2,-0.3 2,-0.3 -0.860 42.7 143.5-101.8 148.0 45.8 13.6 14.1 88 88 A D E - 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