==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 22-JUN-87 3APR . COMPND 2 MOLECULE: RHIZOPUSPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOPUS MICROSPORUS VAR. CHINENSIS; . AUTHOR K.SUGUNA,D.R.DAVIES . 329 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 32.5 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 . 38 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 5.5 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 3 5 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 E A 0 0 114 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 154.1 23.0 47.6 111.6 2 2 E G > - 0 0 48 1,-0.2 3,-1.8 2,-0.1 2,-0.2 0.071 360.0 -65.5 -58.7 173.7 24.2 44.4 110.1 3 3 E V T 3 S+ 0 0 122 1,-0.3 93,-0.2 93,-0.1 -1,-0.2 -0.495 124.1 7.7 -66.8 131.0 27.6 42.9 111.0 4 4 E G T 3 S+ 0 0 0 91,-3.0 167,-3.2 1,-0.2 2,-0.5 0.557 96.7 137.2 74.1 10.8 30.5 45.1 109.8 5 5 E T E < -A 170 0A 19 -3,-1.8 -1,-0.2 90,-0.5 165,-0.2 -0.805 32.0-173.0 -95.7 127.0 28.0 47.9 108.8 6 6 E V E -A 169 0A 4 163,-3.5 163,-2.3 -2,-0.5 2,-0.1 -0.921 14.7-146.5-123.3 108.3 29.0 51.4 109.8 7 7 E P E -A 168 0A 76 0, 0.0 13,-0.5 0, 0.0 2,-0.3 -0.425 23.7-145.3 -66.1 139.4 26.4 54.2 109.2 8 8 E M - 0 0 10 159,-3.0 2,-0.5 11,-0.1 159,-0.4 -0.751 6.8-135.6-111.1 160.6 28.2 57.5 108.2 9 9 E T E -F 18 0B 68 9,-2.7 9,-2.1 -2,-0.3 2,-0.6 -0.950 16.2-139.8-112.0 130.2 27.5 61.1 108.9 10 10 E D E -F 17 0B 22 -2,-0.5 2,-0.5 7,-0.2 7,-0.2 -0.842 19.3-143.8 -90.8 117.4 27.9 63.6 106.0 11 11 E Y E >> -F 16 0B 89 5,-2.8 4,-2.3 -2,-0.6 5,-0.7 -0.758 54.1 -45.0 -88.0 123.4 29.5 66.8 107.4 12 12 E G T 45S- 0 0 44 -2,-0.5 2,-1.9 1,-0.2 149,-0.1 -0.200 122.9 -8.5 56.2-145.3 28.2 70.0 105.8 13 13 E N T 45S- 0 0 85 1,-0.2 -1,-0.2 148,-0.1 -2,-0.1 -0.449 124.7 -60.2 -84.4 65.1 27.8 70.1 102.0 14 14 E D T 45S+ 0 0 15 -2,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.851 92.4 143.6 62.4 39.3 29.5 66.7 101.4 15 15 E I T <5S- 0 0 26 -4,-2.3 313,-0.4 1,-0.3 2,-0.3 0.902 70.8 -30.4 -73.2 -45.5 32.8 67.9 102.9 16 16 E E E < -F 11 0B 1 -5,-0.7 -5,-2.8 311,-0.1 2,-0.4 -0.951 55.7-125.0-163.6 170.8 33.6 64.5 104.5 17 17 E Y E -F 10 0B 4 -2,-0.3 17,-1.5 202,-0.2 2,-0.3 -0.997 25.1-175.9-133.4 123.9 32.0 61.4 106.0 18 18 E Y E -FG 9 33B 39 -9,-2.1 -9,-2.7 -2,-0.4 2,-0.3 -0.883 5.2-165.3-123.1 155.1 32.7 60.0 109.4 19 19 E G E - G 0 32B 3 13,-2.2 13,-2.8 -2,-0.3 2,-0.4 -0.879 29.1 -99.9-131.3 163.9 31.6 57.0 111.3 20 20 E Q E - G 0 31B 95 -13,-0.5 75,-0.4 -2,-0.3 2,-0.4 -0.689 35.5-178.9 -89.5 134.1 31.6 55.8 115.0 21 21 E V E - G 0 30B 0 9,-2.2 9,-2.6 -2,-0.4 2,-0.5 -0.987 19.7-138.6-131.8 136.5 34.3 53.4 116.1 22 22 E T E -HG 93 29B 33 71,-1.8 71,-3.5 -2,-0.4 2,-0.4 -0.877 22.0-174.4-101.7 127.6 34.7 52.1 119.7 23 23 E I E > +HG 92 28B 2 5,-2.4 5,-1.9 -2,-0.5 69,-0.2 -0.986 41.3 7.9-123.9 136.2 38.2 51.9 121.1 24 24 E G T 5S- 0 0 10 67,-2.3 39,-0.1 -2,-0.4 66,-0.1 -0.302 89.4 -41.7 96.2 178.4 39.3 50.3 124.4 25 25 E T T 5S+ 0 0 49 1,-0.2 39,-2.3 -2,-0.1 40,-0.3 -0.984 135.3 1.9-132.5 117.7 37.8 48.3 127.2 26 26 E P T 5S- 0 0 123 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 -0.982 119.8-148.3 -69.4 -17.5 35.1 49.1 128.1 27 27 E G T 5 - 0 0 33 35,-0.4 2,-0.3 -5,-0.0 -3,-0.2 0.155 16.8-126.1 101.2 143.8 35.5 51.6 125.3 28 28 E K E < -G 23 0B 71 -5,-1.9 -5,-2.4 -7,-0.0 2,-0.4 -0.876 28.1-115.7-120.2 151.7 34.6 55.0 124.1 29 29 E K E -G 22 0B 111 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.782 31.6-171.1 -95.5 134.6 33.0 56.0 120.8 30 30 E F E -G 21 0B 0 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.8 -0.951 23.3-131.1-127.0 144.6 35.0 58.1 118.4 31 31 E N E -G 20 0B 38 -2,-0.3 89,-3.5 -11,-0.2 90,-0.8 -0.888 34.1-175.3 -96.5 110.6 34.0 59.9 115.2 32 32 E L E -Gi 19 121B 0 -13,-2.8 -13,-2.2 -2,-0.8 2,-0.4 -0.908 27.8-127.3-113.4 141.5 36.7 59.0 112.6 33 33 E D E -Gi 18 122B 8 88,-2.0 90,-2.5 -2,-0.4 2,-0.8 -0.703 28.6-133.0 -76.4 125.3 37.0 60.3 109.0 34 34 E F E - i 0 123B 1 -17,-1.5 2,-0.6 -2,-0.4 -17,-0.2 -0.791 30.5-173.2 -88.9 111.6 37.2 57.1 106.8 35 35 E D E > - i 0 124B 7 88,-2.7 90,-2.8 -2,-0.8 3,-1.3 -0.902 29.2-179.5-116.6 106.2 40.1 57.8 104.4 36 36 E T T 3 S+ 0 0 0 -2,-0.6 159,-0.4 1,-0.2 91,-0.2 0.505 84.6 67.5 -76.4 -2.8 41.1 55.6 101.5 37 37 E G T 3 S+ 0 0 1 89,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.443 104.7 37.0 -94.6 0.6 44.0 58.0 100.8 38 38 E S < - 0 0 0 -3,-1.3 88,-2.7 85,-0.1 87,-0.4 -0.915 60.0-148.9-145.3 169.5 46.0 57.2 104.0 39 39 E S + 0 0 3 91,-0.4 2,-0.4 -2,-0.3 92,-0.1 0.135 60.1 100.9-134.4 24.6 46.8 54.2 106.2 40 40 E D - 0 0 1 91,-0.1 2,-0.8 90,-0.1 84,-0.2 -0.921 54.6-149.9-111.6 138.6 47.2 55.5 109.8 41 41 E L + 0 0 4 -2,-0.4 64,-2.0 62,-0.3 2,-0.3 -0.917 33.5 165.4-103.7 105.8 44.5 55.1 112.5 42 42 E W E -jK 105 122B 0 80,-1.6 80,-1.5 -2,-0.8 2,-0.3 -0.917 14.2-173.9-125.7 152.0 45.1 58.1 114.8 43 43 E I E -jK 106 121B 0 62,-2.3 64,-2.7 -2,-0.3 78,-0.2 -0.991 33.7-100.4-144.3 148.8 42.9 59.7 117.5 44 44 E A E -j 107 0B 0 76,-2.8 14,-2.7 -2,-0.3 2,-0.3 -0.321 49.4-172.0 -60.3 145.1 43.0 62.7 119.8 45 45 E S B > -n 58 0C 0 62,-0.6 3,-1.6 12,-0.3 14,-0.2 -0.894 41.4-102.6-140.1 171.5 44.2 61.7 123.3 46 46 E T T 3 S+ 0 0 76 12,-2.2 13,-0.1 -2,-0.3 62,-0.1 0.441 117.7 67.7 -76.8 3.3 44.5 63.1 126.8 47 47 E L T 3 S+ 0 0 73 60,-0.4 2,-0.3 11,-0.3 -1,-0.3 0.462 79.4 109.3 -91.4 -8.5 48.2 63.5 126.0 48 48 E a < - 0 0 19 -3,-1.6 61,-0.2 59,-0.2 60,-0.1 -0.543 45.9-175.2 -75.0 131.7 47.3 66.2 123.5 49 49 E T S S+ 0 0 109 59,-2.3 60,-0.1 -2,-0.3 -1,-0.1 0.365 82.9 33.2-107.7 2.5 48.2 69.8 124.3 50 50 E N S S+ 0 0 57 58,-0.3 65,-0.1 2,-0.1 -1,-0.1 0.066 87.4 127.6-143.3 26.4 46.6 71.7 121.4 51 51 E a - 0 0 26 -6,-0.1 2,-0.1 57,-0.1 64,-0.1 -0.298 65.8 -88.3 -82.6 163.5 43.5 69.5 120.7 52 52 E G > - 0 0 9 1,-0.1 3,-0.7 -2,-0.1 -1,-0.1 -0.518 20.3-136.5 -75.6 142.7 39.9 70.7 120.4 53 53 E S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.1 63,-0.1 0.722 107.8 56.9 -69.4 -21.4 37.7 70.9 123.5 54 54 E G T 3 S+ 0 0 73 61,-0.3 -1,-0.3 63,-0.1 2,-0.1 0.718 86.4 97.1 -81.7 -21.1 35.0 69.4 121.4 55 55 E Q S < S- 0 0 12 -3,-0.7 2,-0.5 60,-0.2 65,-0.1 -0.388 77.7-122.6 -71.9 148.5 37.0 66.3 120.4 56 56 E T - 0 0 55 -25,-0.1 2,-0.5 -2,-0.1 -12,-0.3 -0.779 34.5-146.5 -84.6 129.1 36.4 63.1 122.2 57 57 E K - 0 0 51 -2,-0.5 2,-0.3 -14,-0.1 -12,-0.3 -0.886 9.0-125.8-110.9 132.4 39.9 62.0 123.6 58 58 E Y B -n 45 0C 5 -14,-2.7 -12,-2.2 -2,-0.5 -11,-0.3 -0.521 23.8-160.4 -69.5 132.5 41.2 58.6 124.1 59 59 E D > - 0 0 31 -2,-0.3 3,-1.9 -14,-0.2 4,-0.2 -0.936 10.3-160.5-119.1 105.3 42.4 58.1 127.7 60 60 E P G > S+ 0 0 12 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.833 90.5 62.6 -51.0 -38.7 44.9 55.2 128.2 61 61 E N G 3 S+ 0 0 150 1,-0.3 -3,-0.0 -3,-0.1 5,-0.0 0.725 100.9 52.3 -63.0 -23.7 44.1 55.2 131.9 62 62 E Q G < S+ 0 0 120 -3,-1.9 2,-0.5 1,-0.0 -35,-0.4 0.308 94.9 78.4 -97.4 7.7 40.5 54.3 131.2 63 63 E S X - 0 0 11 -3,-1.8 3,-1.1 -4,-0.2 -39,-0.1 -0.969 58.7-163.2-117.6 119.7 41.1 51.3 129.0 64 64 E S T 3 S+ 0 0 100 -39,-2.3 -1,-0.1 -2,-0.5 -3,-0.0 0.605 92.9 54.9 -75.4 -7.7 42.1 48.0 130.7 65 65 E T T 3 S+ 0 0 51 -40,-0.3 -1,-0.2 26,-0.1 2,-0.2 0.233 76.9 125.2-107.0 11.4 43.4 46.8 127.3 66 66 E Y < - 0 0 68 -3,-1.1 2,-0.4 -6,-0.3 24,-0.2 -0.524 39.2-170.8 -69.7 138.6 45.8 49.7 126.6 67 67 E Q E -L 89 0B 116 22,-1.8 22,-1.6 -2,-0.2 -2,-0.0 -0.990 19.3-127.4-133.5 121.2 49.4 48.5 126.0 68 68 E A E -L 88 0B 55 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.219 21.1-164.7 -66.5 154.7 52.2 51.1 125.8 69 69 E D E - 0 0 46 18,-0.7 18,-0.2 2,-0.1 -1,-0.0 -0.997 20.7-139.5-141.2 138.4 54.6 51.3 122.8 70 70 E G E + 0 0 84 -2,-0.3 2,-0.2 16,-0.1 18,-0.1 0.477 69.6 101.0 -82.4 3.2 57.9 53.1 122.7 71 71 E R E - 0 0 101 1,-0.0 16,-2.6 62,-0.0 2,-0.3 -0.543 55.1-150.6 -94.4 157.4 57.5 54.5 119.1 72 72 E T E -L 86 0B 105 14,-0.3 2,-0.3 -2,-0.2 14,-0.3 -0.732 9.8-161.0-114.3 164.6 56.5 57.9 117.9 73 73 E W E -L 85 0B 11 12,-2.1 12,-2.2 -2,-0.3 2,-0.3 -0.973 9.2-174.3-144.7 159.9 54.6 58.9 114.7 74 74 E S E -L 84 0B 81 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.967 8.6-172.0-152.3 140.0 54.1 62.0 112.6 75 75 E I E -L 83 0B 4 8,-2.4 8,-1.4 -2,-0.3 2,-0.4 -0.972 11.1-169.2-139.5 152.8 51.9 62.6 109.6 76 76 E S E -L 82 0B 73 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.960 17.8-149.6-143.4 118.5 51.3 65.3 107.0 77 77 E Y > - 0 0 14 4,-2.7 3,-2.3 -2,-0.4 -39,-0.0 -0.293 36.5 -88.9 -85.1 173.0 48.4 65.1 104.6 78 78 E G T 3 S+ 0 0 51 251,-0.9 -1,-0.1 1,-0.3 143,-0.0 0.720 127.0 48.8 -50.4 -36.0 48.0 66.4 101.0 79 79 E D T 3 S- 0 0 63 250,-0.6 -1,-0.3 2,-0.1 3,-0.1 0.175 121.3-103.9 -92.7 12.8 46.7 69.9 102.3 80 80 E G S < S+ 0 0 49 -3,-2.3 -2,-0.1 1,-0.3 2,-0.0 0.386 74.2 142.3 81.9 -4.9 49.6 70.2 104.8 81 81 E S - 0 0 13 248,-0.1 -4,-2.7 -5,-0.1 2,-0.3 -0.391 29.9-179.1 -66.8 150.4 47.4 69.4 107.9 82 82 E S E -L 76 0B 48 -6,-0.2 29,-2.4 -3,-0.1 2,-0.3 -0.919 23.9-176.5-147.0 173.3 49.4 67.3 110.4 83 83 E A E -LM 75 110B 3 -8,-1.4 -8,-2.4 -2,-0.3 2,-0.3 -0.948 7.6-174.4-163.5 159.7 49.4 65.5 113.7 84 84 E S E +LM 74 109B 39 25,-2.4 24,-3.0 -2,-0.3 25,-1.9 -0.971 21.3 116.1-158.2 163.7 52.0 63.6 115.8 85 85 E G E -LM 73 107B 7 -12,-2.2 -12,-2.1 -2,-0.3 2,-0.3 -0.922 55.6 -48.9 170.6-146.5 52.2 61.5 118.9 86 86 E I E -LM 72 106B 32 20,-1.8 20,-2.7 -2,-0.3 -14,-0.3 -0.880 43.9-114.8-122.6 158.0 53.0 58.1 120.2 87 87 E L E + M 0 105B 0 -16,-2.6 -18,-0.7 -2,-0.3 2,-0.3 -0.415 36.0 166.0 -85.2 161.8 51.9 54.5 119.2 88 88 E A E -LM 68 104B 0 16,-1.7 16,-1.9 -20,-0.2 2,-0.4 -0.903 28.4-123.7-160.1 177.5 49.9 52.2 121.5 89 89 E K E +LM 67 103B 106 -22,-1.6 -22,-1.8 -2,-0.3 2,-0.3 -0.995 40.4 136.4-136.3 137.4 47.9 49.0 121.1 90 90 E D E - 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