==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-03 1UH8 . COMPND 2 MOLECULE: HIZOPUSPEPSIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOPUS MICROSPORUS VAR. CHINENSIS; . AUTHOR B.V.L.S.PRASAD,K.SUGUNA . 325 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 33.5 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 . 2 0.6 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 . 41 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 2 0 0 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 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 3 6 2 2 1 0 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 2 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 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 0 121 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 151.0 22.8 47.4 111.9 2 2 A G > - 0 0 47 1,-0.2 3,-1.7 2,-0.1 2,-0.3 0.001 360.0 -69.2 -63.7 173.1 24.3 44.3 110.4 3 3 A V T 3 S+ 0 0 120 1,-0.3 93,-0.2 93,-0.1 -1,-0.2 -0.478 122.4 10.3 -66.9 126.7 27.7 42.9 111.4 4 4 A G T 3 S+ 0 0 0 91,-2.9 167,-3.4 1,-0.3 2,-0.5 0.577 94.8 134.8 81.7 9.2 30.5 45.1 110.1 5 5 A T E < -A 170 0A 20 -3,-1.7 -1,-0.3 90,-0.6 165,-0.2 -0.813 32.8-172.7 -96.4 127.9 28.1 47.9 109.2 6 6 A V E -A 169 0A 4 163,-3.3 163,-2.3 -2,-0.5 2,-0.1 -0.925 16.1-142.0-124.8 107.3 29.1 51.4 110.2 7 7 A P E -A 168 0A 76 0, 0.0 13,-0.6 0, 0.0 161,-0.3 -0.431 21.3-144.5 -66.4 137.5 26.7 54.3 109.7 8 8 A M E -F 19 0B 12 159,-3.0 2,-0.5 149,-0.2 159,-0.4 -0.692 3.6-141.0-104.6 157.5 28.3 57.5 108.5 9 9 A T E -F 18 0B 67 9,-1.9 9,-1.7 -2,-0.3 2,-0.5 -0.976 16.5-135.5-120.7 120.4 27.5 61.2 109.3 10 10 A D E -F 17 0B 26 -2,-0.5 2,-0.6 7,-0.2 7,-0.2 -0.620 18.1-150.5 -76.8 120.9 27.8 63.8 106.6 11 11 A Y E >> -F 16 0B 100 5,-3.2 4,-1.3 -2,-0.5 5,-1.1 -0.836 53.4 -40.8 -98.1 123.5 29.5 66.9 107.9 12 12 A G T 45S- 0 0 42 -2,-0.6 2,-1.4 1,-0.2 -2,-0.0 -0.324 121.2 -11.7 65.7-143.8 28.6 70.2 106.2 13 13 A N T 45S- 0 0 86 1,-0.2 -1,-0.2 -2,-0.0 -2,-0.1 -0.474 121.2 -62.1 -90.3 63.3 28.0 70.3 102.5 14 14 A D T 45S+ 0 0 15 -2,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.742 96.5 140.6 66.1 22.6 29.5 66.9 101.8 15 15 A I T <5S- 0 0 52 -4,-1.3 2,-0.3 1,-0.3 286,-0.2 0.922 73.9 -31.8 -61.3 -46.6 32.8 68.2 103.1 16 16 A E E < -F 11 0B 35 -5,-1.1 -5,-3.2 285,-0.0 2,-0.3 -0.954 55.8-135.6-170.5 155.8 33.6 64.8 104.9 17 17 A Y E -F 10 0B 7 -2,-0.3 17,-0.8 202,-0.2 2,-0.3 -0.900 17.8-165.2-120.7 149.5 31.8 61.9 106.6 18 18 A Y E -FG 9 33B 41 -9,-1.7 -9,-1.9 -2,-0.3 2,-0.3 -0.988 5.3-155.0-138.8 147.2 32.6 60.2 109.8 19 19 A G E -FG 8 32B 1 13,-2.0 13,-2.6 -2,-0.3 2,-0.4 -0.846 26.1-108.3-117.9 155.9 31.7 56.9 111.5 20 20 A Q E - G 0 31B 101 -13,-0.6 75,-0.4 -2,-0.3 2,-0.4 -0.662 34.1-178.8 -85.9 136.0 31.7 55.9 115.2 21 21 A V E - G 0 30B 0 9,-2.3 9,-2.8 -2,-0.4 2,-0.5 -0.983 20.1-137.5-132.2 141.3 34.3 53.5 116.4 22 22 A T E -HG 93 29B 39 71,-2.0 71,-3.8 -2,-0.4 2,-0.4 -0.888 23.5-175.4-103.9 128.0 34.7 52.1 119.9 23 23 A I E > +HG 92 28B 2 5,-2.1 5,-1.9 -2,-0.5 69,-0.2 -0.960 41.1 6.5-125.2 141.2 38.2 51.9 121.3 24 24 A G T 5S- 0 0 10 67,-2.6 39,-0.1 -2,-0.4 66,-0.1 -0.164 91.4 -36.5 87.5 178.0 39.5 50.5 124.6 25 25 A T T 5S- 0 0 46 1,-0.2 39,-2.1 2,-0.1 40,-0.3 -0.989 134.7 -2.0-130.7 124.1 37.9 48.5 127.5 26 26 A P T 5S- 0 0 127 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 -0.978 119.8-150.2 -65.7 -18.8 35.1 49.0 128.4 27 27 A G T 5 - 0 0 33 35,-0.4 2,-0.3 -5,-0.0 -3,-0.2 0.078 16.6-120.9 104.6 147.7 35.6 51.6 125.6 28 28 A K E < -G 23 0B 66 -5,-1.9 -5,-2.1 -7,-0.0 2,-0.4 -0.866 29.1-115.0-120.5 155.1 34.7 55.1 124.4 29 29 A K E -G 22 0B 131 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.787 31.7-171.1 -95.1 133.5 33.0 56.1 121.1 30 30 A F E -G 21 0B 0 -9,-2.8 -9,-2.3 -2,-0.4 2,-0.8 -0.964 23.0-133.7-125.3 141.0 35.1 58.2 118.7 31 31 A N E -G 20 0B 38 -2,-0.4 89,-3.6 -11,-0.2 90,-0.7 -0.839 36.3-176.6 -92.6 111.3 34.0 59.9 115.5 32 32 A L E -Gi 19 121B 0 -13,-2.6 -13,-2.0 -2,-0.8 2,-0.5 -0.838 28.1-123.3-113.1 151.0 36.7 59.1 113.0 33 33 A D E -Gi 18 122B 17 88,-2.2 90,-3.2 -2,-0.3 2,-0.8 -0.773 24.6-136.1 -88.5 127.3 37.2 60.2 109.4 34 34 A F E - i 0 123B 2 -17,-0.8 2,-0.6 -2,-0.5 90,-0.2 -0.799 29.3-175.8 -89.4 111.9 37.4 57.1 107.1 35 35 A D E > - i 0 124B 11 88,-2.7 90,-3.1 -2,-0.8 3,-1.2 -0.892 27.6-178.9-120.1 106.3 40.3 57.9 104.8 36 36 A T T 3 S+ 0 0 1 -2,-0.6 159,-0.4 1,-0.2 91,-0.2 0.454 83.4 70.9 -77.8 1.4 41.4 55.7 101.9 37 37 A G T 3 S+ 0 0 13 89,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.528 104.5 30.9 -93.3 -8.3 44.1 58.2 101.2 38 38 A S < - 0 0 11 -3,-1.2 88,-2.7 85,-0.1 87,-0.4 -0.882 62.0-145.0-141.0 172.6 46.2 57.3 104.3 39 39 A S + 0 0 4 91,-0.4 2,-0.4 -2,-0.3 92,-0.1 0.141 60.5 101.1-132.4 23.7 46.9 54.2 106.4 40 40 A D - 0 0 1 91,-0.1 84,-0.8 90,-0.1 2,-0.7 -0.857 54.9-147.5-110.8 146.8 47.3 55.4 110.0 41 41 A L E +J 123 0B 4 -2,-0.4 64,-2.5 62,-0.3 2,-0.4 -0.916 33.7 162.3-111.6 102.2 44.8 55.2 112.8 42 42 A W E -Jk 122 105B 0 80,-1.3 80,-1.8 -2,-0.7 2,-0.3 -0.932 13.7-177.1-125.3 150.9 45.3 58.2 115.1 43 43 A I E -Jk 121 106B 0 62,-2.2 64,-2.6 -2,-0.4 78,-0.2 -0.972 35.5 -95.8-142.5 155.3 43.1 59.8 117.7 44 44 A A E - k 0 107B 0 76,-2.2 14,-2.8 12,-0.3 2,-0.3 -0.430 48.5-171.4 -66.6 144.1 43.2 62.8 120.1 45 45 A S B > -n 58 0C 0 62,-0.6 3,-1.9 12,-0.3 14,-0.2 -0.875 41.0-103.4-135.6 168.6 44.4 61.7 123.6 46 46 A T T 3 S+ 0 0 74 12,-2.1 13,-0.1 -2,-0.3 62,-0.1 0.446 117.5 68.0 -72.7 2.4 44.6 63.2 127.0 47 47 A L T 3 S+ 0 0 74 60,-0.4 2,-0.3 11,-0.3 -1,-0.3 0.476 78.4 105.4 -95.1 -7.6 48.3 63.5 126.3 48 48 A a < - 0 0 17 -3,-1.9 61,-0.2 59,-0.1 60,-0.1 -0.568 49.2-171.1 -79.3 135.2 47.6 66.2 123.7 49 49 A T S S+ 0 0 106 59,-2.2 60,-0.1 -2,-0.3 -1,-0.1 0.342 82.9 33.6-108.6 5.9 48.4 69.8 124.6 50 50 A N S S+ 0 0 57 58,-0.2 2,-0.2 2,-0.1 65,-0.2 0.046 85.1 128.6-147.3 27.6 46.8 71.7 121.6 51 51 A a - 0 0 22 -6,-0.1 64,-0.1 1,-0.1 61,-0.1 -0.512 67.7 -86.9 -86.8 154.9 43.8 69.5 120.8 52 52 A G > - 0 0 9 -2,-0.2 3,-0.9 1,-0.1 -1,-0.1 -0.295 25.7-135.1 -61.8 141.9 40.2 70.9 120.4 53 53 A S T 3 S+ 0 0 127 1,-0.2 -1,-0.1 -3,-0.1 63,-0.1 0.685 105.3 57.2 -71.0 -16.7 38.2 71.1 123.6 54 54 A R T 3 S+ 0 0 74 61,-0.4 -1,-0.2 63,-0.1 2,-0.2 0.611 85.9 99.4 -89.2 -12.4 35.3 69.6 121.7 55 55 A Q S < S- 0 0 10 -3,-0.9 2,-0.5 60,-0.2 65,-0.1 -0.482 77.5-120.5 -77.4 144.6 37.1 66.4 120.6 56 56 A T - 0 0 56 -2,-0.2 2,-0.4 -25,-0.1 -12,-0.3 -0.725 34.2-148.7 -82.4 127.9 36.6 63.2 122.5 57 57 A K - 0 0 58 -2,-0.5 -12,-0.3 -14,-0.1 2,-0.2 -0.856 10.0-124.2-108.1 135.2 40.1 62.1 123.8 58 58 A Y B -n 45 0C 5 -14,-2.8 -12,-2.1 -2,-0.4 -11,-0.3 -0.530 23.5-157.8 -72.1 135.3 41.3 58.6 124.4 59 59 A D > - 0 0 31 -2,-0.2 3,-1.5 -14,-0.2 4,-0.2 -0.938 10.8-161.8-119.8 106.7 42.5 58.1 128.0 60 60 A P G > S+ 0 0 11 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.873 92.2 61.1 -53.2 -38.0 45.0 55.3 128.5 61 61 A N G 3 S+ 0 0 151 1,-0.3 -3,-0.0 -3,-0.1 5,-0.0 0.766 101.0 53.5 -62.3 -25.8 44.1 55.3 132.2 62 62 A Q G < S+ 0 0 118 -3,-1.5 2,-0.5 2,-0.0 -35,-0.4 0.309 95.9 76.4 -94.5 9.4 40.5 54.5 131.5 63 63 A S X - 0 0 13 -3,-1.6 3,-0.9 -4,-0.2 -39,-0.1 -0.981 58.4-162.5-122.1 125.8 41.2 51.4 129.3 64 64 A S T 3 S+ 0 0 101 -39,-2.1 -1,-0.1 -2,-0.5 -3,-0.0 0.649 93.1 55.2 -79.0 -13.9 42.1 48.1 131.0 65 65 A T T 3 S+ 0 0 49 -40,-0.3 -1,-0.2 26,-0.1 2,-0.2 0.208 77.8 126.2-102.2 13.5 43.4 46.8 127.6 66 66 A Y < - 0 0 69 -3,-0.9 2,-0.4 -6,-0.3 24,-0.2 -0.525 38.5-170.6 -72.4 136.7 45.8 49.6 127.0 67 67 A Q E -L 89 0B 114 22,-1.9 22,-1.5 -2,-0.2 -2,-0.0 -0.979 19.0-127.4-133.7 120.9 49.4 48.6 126.3 68 68 A A E -L 88 0B 56 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.192 21.0-165.0 -62.0 155.4 52.2 51.1 126.2 69 69 A D E - 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