==== 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 1UH7 . 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) . 13526.0 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 . 40 12.3 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 . 21 6.5 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 5 1 5 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 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 0 118 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 164.1 23.0 47.5 111.5 2 2 A G > - 0 0 46 1,-0.2 3,-1.8 2,-0.1 2,-0.1 -0.038 360.0 -68.1 -65.1 172.2 24.4 44.3 110.0 3 3 A V T 3 S+ 0 0 121 1,-0.3 93,-0.2 93,-0.1 -1,-0.2 -0.410 122.7 7.8 -63.6 131.8 27.7 42.8 110.9 4 4 A G T 3 S+ 0 0 0 91,-2.4 167,-3.1 1,-0.2 2,-0.4 0.575 97.3 136.4 73.2 9.0 30.6 44.9 109.7 5 5 A T E < -A 170 0A 18 -3,-1.8 -1,-0.2 90,-0.6 165,-0.2 -0.771 32.7-172.4 -94.4 130.7 28.2 47.7 108.7 6 6 A V E -A 169 0A 4 163,-3.3 163,-2.2 -2,-0.4 2,-0.1 -0.926 15.1-144.4-126.7 108.3 29.1 51.3 109.6 7 7 A P E -A 168 0A 77 0, 0.0 13,-0.5 0, 0.0 2,-0.3 -0.454 23.1-145.6 -67.4 140.7 26.6 54.1 109.1 8 8 A M E -F 19 0B 10 159,-2.9 2,-0.5 11,-0.1 159,-0.3 -0.756 5.7-137.9-111.1 157.7 28.3 57.4 108.0 9 9 A T E -F 18 0B 66 9,-2.5 9,-1.7 -2,-0.3 2,-0.7 -0.952 15.5-138.9-113.9 129.8 27.5 61.0 108.7 10 10 A D E -F 17 0B 21 -2,-0.5 2,-0.5 7,-0.2 7,-0.2 -0.805 18.8-145.7 -89.9 116.4 27.8 63.5 105.9 11 11 A Y E >> -F 16 0B 97 5,-2.7 4,-2.2 -2,-0.7 5,-0.7 -0.738 54.2 -44.2 -88.4 123.1 29.5 66.7 107.2 12 12 A G T 45S- 0 0 44 -2,-0.5 2,-1.8 1,-0.2 149,-0.1 -0.218 122.0 -10.1 58.4-146.4 28.2 69.9 105.7 13 13 A N T 45S- 0 0 83 1,-0.2 -1,-0.2 148,-0.1 -2,-0.1 -0.457 123.4 -60.1 -84.7 65.4 27.8 70.0 101.9 14 14 A D T 45S+ 0 0 15 -2,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.892 93.8 141.3 62.1 41.2 29.5 66.6 101.2 15 15 A I T <5S- 0 0 51 -4,-2.2 2,-0.3 1,-0.3 286,-0.2 0.903 71.1 -27.6 -78.1 -45.5 32.8 67.8 102.7 16 16 A E E < -F 11 0B 26 -5,-0.7 -5,-2.7 285,-0.1 2,-0.4 -0.975 55.3-128.0-163.2 167.0 33.7 64.5 104.4 17 17 A Y E +F 10 0B 3 -2,-0.3 17,-1.2 202,-0.3 2,-0.3 -0.991 24.4 179.5-130.8 128.5 32.1 61.4 105.8 18 18 A Y E -FG 9 33B 37 -9,-1.7 -9,-2.5 -2,-0.4 2,-0.3 -0.924 7.0-164.5-129.2 153.2 32.8 59.9 109.3 19 19 A G E -FG 8 32B 2 13,-2.1 13,-2.5 -2,-0.3 2,-0.3 -0.892 29.6 -97.4-131.3 162.7 31.6 56.9 111.2 20 20 A Q E - G 0 31B 103 -13,-0.5 75,-0.4 -2,-0.3 2,-0.4 -0.642 36.3-178.7 -85.1 137.1 31.7 55.8 114.8 21 21 A V E - G 0 30B 0 9,-2.2 9,-2.7 -2,-0.3 2,-0.5 -1.000 20.0-137.9-135.0 132.5 34.4 53.4 116.0 22 22 A T E -HG 93 29B 35 71,-1.8 71,-3.6 -2,-0.4 2,-0.4 -0.817 23.4-176.4 -96.1 127.4 34.7 52.0 119.5 23 23 A I E > +HG 92 28B 2 5,-2.2 5,-1.9 -2,-0.5 69,-0.2 -0.978 41.1 8.0-126.2 134.5 38.3 51.8 120.9 24 24 A G T 5S- 0 0 11 67,-2.4 39,-0.1 -2,-0.4 66,-0.1 -0.302 89.8 -40.1 96.8 178.6 39.5 50.4 124.2 25 25 A T T 5S- 0 0 48 1,-0.2 39,-2.1 -2,-0.1 40,-0.3 -0.986 135.3 -2.1-134.5 120.8 37.9 48.4 127.0 26 26 A P T 5S- 0 0 124 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 -0.980 120.4-159.0 -64.8 -18.5 35.2 49.0 128.0 27 27 A G T 5 - 0 0 31 35,-0.4 2,-0.3 -5,-0.1 -3,-0.2 0.166 17.2-116.7 96.7 150.4 35.8 51.6 125.3 28 28 A K E < -G 23 0B 77 -5,-1.9 -5,-2.2 -7,-0.1 2,-0.4 -0.857 28.1-113.8-120.3 156.6 34.7 55.0 123.9 29 29 A K E -G 22 0B 123 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.779 32.6-170.0 -94.6 132.3 33.1 55.9 120.6 30 30 A F E -G 21 0B 0 -9,-2.7 -9,-2.2 -2,-0.4 2,-0.9 -0.936 23.1-130.5-122.7 145.6 35.1 58.1 118.3 31 31 A N E -G 20 0B 40 -2,-0.4 89,-3.4 -11,-0.2 90,-0.8 -0.846 35.8-176.0 -95.5 106.9 34.1 59.8 115.1 32 32 A L E -Gi 19 121B 0 -13,-2.5 -13,-2.1 -2,-0.9 2,-0.6 -0.850 27.5-128.0-109.9 142.8 36.7 58.9 112.5 33 33 A D E -Gi 18 122B 14 88,-2.1 90,-2.6 -2,-0.4 2,-0.8 -0.757 25.9-135.0 -84.9 119.0 37.1 60.1 108.9 34 34 A F E - i 0 123B 1 -17,-1.2 2,-0.6 -2,-0.6 -17,-0.2 -0.691 29.6-174.9 -80.4 113.6 37.4 57.0 106.7 35 35 A D E > - i 0 124B 11 88,-2.7 90,-2.9 -2,-0.8 3,-1.3 -0.895 28.3-177.8-121.0 107.0 40.2 57.8 104.3 36 36 A T T 3 S+ 0 0 0 -2,-0.6 159,-0.4 1,-0.2 91,-0.2 0.494 84.0 71.1 -76.5 -0.1 41.3 55.6 101.4 37 37 A G T 3 S+ 0 0 12 89,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.488 103.9 30.6 -93.4 -3.7 44.1 58.1 100.7 38 38 A S < - 0 0 10 -3,-1.3 88,-2.6 85,-0.1 87,-0.4 -0.905 60.7-145.5-145.0 172.4 46.1 57.2 103.8 39 39 A S + 0 0 4 91,-0.4 2,-0.4 -2,-0.3 92,-0.1 0.154 60.3 102.5-133.3 22.6 46.9 54.2 106.0 40 40 A D - 0 0 2 91,-0.1 2,-0.8 90,-0.1 84,-0.3 -0.888 54.2-149.4-109.8 139.1 47.4 55.5 109.6 41 41 A L + 0 0 3 -2,-0.4 64,-2.5 62,-0.3 2,-0.4 -0.882 33.7 162.7-105.8 99.7 44.8 55.1 112.3 42 42 A W E -jK 105 122B 0 80,-1.3 80,-1.8 -2,-0.8 2,-0.3 -0.922 14.3-176.9-122.3 149.6 45.3 58.1 114.6 43 43 A I E -jK 106 121B 0 62,-2.3 64,-2.5 -2,-0.4 78,-0.2 -0.975 34.9 -96.8-141.0 153.7 43.1 59.7 117.2 44 44 A A E -j 107 0B 0 76,-2.5 14,-2.7 -2,-0.3 2,-0.3 -0.360 48.3-172.1 -64.5 148.8 43.1 62.7 119.6 45 45 A S B > -n 58 0C 0 62,-0.5 3,-1.6 12,-0.3 14,-0.2 -0.897 41.2-101.8-140.2 170.7 44.3 61.7 123.1 46 46 A T T 3 S+ 0 0 73 12,-2.1 13,-0.1 -2,-0.3 62,-0.1 0.406 117.3 67.3 -75.6 5.2 44.6 63.1 126.6 47 47 A L T 3 S+ 0 0 74 60,-0.4 -1,-0.3 11,-0.2 2,-0.2 0.527 78.3 108.2 -95.8 -12.4 48.3 63.6 125.9 48 48 A a < - 0 0 19 -3,-1.6 61,-0.2 59,-0.2 60,-0.1 -0.475 48.4-171.6 -71.7 132.8 47.5 66.2 123.2 49 49 A T S S+ 0 0 108 59,-2.2 60,-0.1 -2,-0.2 -1,-0.1 0.426 83.0 32.1-105.2 -0.4 48.3 69.8 124.1 50 50 A N S S+ 0 0 57 58,-0.3 65,-0.1 2,-0.1 -1,-0.1 0.025 86.6 126.7-144.8 31.2 46.7 71.6 121.2 51 51 A a - 0 0 24 -6,-0.1 2,-0.2 -3,-0.1 64,-0.1 -0.419 66.8 -85.6 -87.4 164.9 43.7 69.5 120.4 52 52 A G > - 0 0 9 1,-0.1 3,-1.0 -2,-0.1 -1,-0.1 -0.472 22.5-138.0 -74.6 140.1 40.1 70.7 120.1 53 53 A S T 3 S+ 0 0 126 1,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.678 105.5 57.5 -68.6 -16.4 37.9 70.8 123.3 54 54 A R T 3 S+ 0 0 73 61,-0.4 -1,-0.2 63,-0.1 2,-0.2 0.656 86.4 97.4 -87.8 -16.7 35.1 69.4 121.2 55 55 A Q S < S- 0 0 11 -3,-1.0 2,-0.5 60,-0.2 65,-0.1 -0.461 79.1-121.1 -74.7 142.5 37.0 66.3 120.2 56 56 A T - 0 0 52 -2,-0.2 2,-0.4 -25,-0.1 -12,-0.3 -0.727 35.0-147.5 -80.8 128.6 36.5 63.0 122.1 57 57 A K - 0 0 58 -2,-0.5 -12,-0.3 -4,-0.1 2,-0.2 -0.863 9.2-123.8-108.8 133.7 40.0 62.1 123.4 58 58 A Y B -n 45 0C 4 -14,-2.7 -12,-2.1 -2,-0.4 -11,-0.2 -0.511 23.9-158.3 -70.2 132.9 41.4 58.6 123.9 59 59 A D > - 0 0 34 -2,-0.2 3,-1.4 -14,-0.2 4,-0.2 -0.929 10.1-161.5-118.7 106.5 42.5 58.1 127.5 60 60 A P G > S+ 0 0 13 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.858 91.1 60.0 -52.4 -38.6 45.1 55.3 128.0 61 61 A N G 3 S+ 0 0 152 1,-0.3 5,-0.0 3,-0.0 -2,-0.0 0.764 100.7 54.6 -63.7 -26.6 44.3 55.2 131.7 62 62 A Q G < S+ 0 0 120 -3,-1.4 2,-0.5 1,-0.0 -35,-0.4 0.299 95.2 78.3 -92.4 9.8 40.6 54.3 131.1 63 63 A S X - 0 0 13 -3,-1.5 3,-1.1 -4,-0.2 -39,-0.1 -0.974 58.5-163.0-122.1 121.4 41.3 51.3 128.9 64 64 A S T 3 S+ 0 0 100 -39,-2.1 -1,-0.1 -2,-0.5 -3,-0.0 0.576 93.5 54.2 -76.1 -8.3 42.3 48.0 130.5 65 65 A T T 3 S+ 0 0 49 -40,-0.3 -1,-0.2 26,-0.1 2,-0.2 0.229 77.6 124.4-109.6 13.5 43.6 46.8 127.2 66 66 A Y < - 0 0 66 -3,-1.1 2,-0.4 -6,-0.3 24,-0.2 -0.509 39.0-170.7 -72.9 140.2 45.9 49.7 126.5 67 67 A Q E -L 89 0B 114 22,-1.6 22,-1.5 -2,-0.2 -2,-0.0 -0.976 19.1-126.7-137.0 120.9 49.6 48.6 125.8 68 68 A A E -L 88 0B 56 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.248 20.9-165.7 -65.3 153.3 52.4 51.2 125.6 69 69 A D E - 0 0 47 18,-0.7 18,-0.1 2,-0.1 20,-0.0 -0.984 19.9-140.0-138.4 142.2 54.7 51.3 122.6 70 70 A G E + 0 0 84 -2,-0.3 2,-0.2 16,-0.1 18,-0.1 0.362 69.5 100.8 -89.3 8.8 58.1 53.1 122.5 71 71 A R E - 0 0 101 16,-0.0 16,-2.7 62,-0.0 2,-0.3 -0.629 55.9-150.0 -97.1 152.9 57.7 54.4 119.0 72 72 A T E -L 86 0B 107 14,-0.3 2,-0.3 -2,-0.2 14,-0.3 -0.725 9.2-158.2-113.2 164.5 56.7 57.9 117.8 73 73 A W E -L 85 0B 10 12,-2.4 12,-2.2 -2,-0.3 2,-0.3 -0.968 10.4-175.5-143.0 157.9 54.9 58.9 114.6 74 74 A S E -L 84 0B 87 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.963 8.6-174.3-153.3 134.0 54.4 62.1 112.5 75 75 A I E -L 83 0B 19 8,-2.7 8,-1.6 -2,-0.3 2,-0.4 -0.986 10.2-168.4-136.9 147.0 52.2 62.6 109.4 76 76 A S E -L 82 0B 96 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.951 14.2-155.2-136.9 113.4 51.7 65.3 106.9 77 77 A Y > - 0 0 32 4,-2.2 3,-1.5 -2,-0.4 -39,-0.0 -0.403 30.8-104.6 -85.5 164.0 48.8 65.3 104.5 78 78 A G T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.883 114.9 63.7 -53.2 -46.5 48.6 67.0 101.1 79 79 A D T 3 S- 0 0 134 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.302 121.9-102.7 -66.1 13.6 46.3 69.8 102.3 80 80 A G S < S+ 0 0 60 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.364 81.0 132.5 83.3 -7.0 49.1 70.9 104.6 81 81 A S + 0 0 4 30,-0.1 -4,-2.2 -5,-0.1 -1,-0.3 -0.381 30.3 174.4 -76.1 158.0 47.5 69.5 107.7 82 82 A S E -L 76 0B 52 -6,-0.2 29,-2.4 -3,-0.1 2,-0.3 -0.917 17.3-177.7-153.1 178.5 49.6 67.4 110.2 83 83 A A E -LM 75 110B 4 -8,-1.6 -8,-2.7 -2,-0.3 2,-0.3 -0.935 5.0-173.8-175.6 157.4 49.8 65.6 113.5 84 84 A S E +LM 74 109B 38 25,-2.3 24,-3.3 -2,-0.3 25,-1.8 -0.975 20.9 117.1-156.9 164.9 52.2 63.6 115.6 85 85 A G E -LM 73 107B 7 -12,-2.2 -12,-2.4 -2,-0.3 2,-0.3 -0.949 55.1 -48.6 169.5-147.2 52.4 61.5 118.8 86 86 A I E -LM 72 106B 35 20,-1.6 20,-2.2 -2,-0.3 -14,-0.3 -0.854 45.1-114.4-122.1 156.9 53.2 58.1 120.0 87 87 A L E + M 0 105B 0 -16,-2.7 -18,-0.7 -2,-0.3 2,-0.3 -0.413 35.7 169.2 -84.1 163.5 52.1 54.6 119.0 88 88 A A E -LM 68 104B 0 16,-1.8 16,-2.3 -20,-0.2 2,-0.4 -0.939 26.2-123.4-160.6 176.1 50.0 52.3 121.2 89 89 A K E +LM 67 103B 105 -22,-1.5 -22,-1.6 -2,-0.3 2,-0.3 -0.999 40.8 129.9-136.4 135.1 48.1 49.0 121.0 90 90 A D E - 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