==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ASPARTIC PROTEINASE) 19-MAR-87 2APR . COMPND 2 MOLECULE: RHIZOPUSPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOPUS MICROSPORUS VAR. CHINENSIS; . AUTHOR K.SUGUNA,D.R.DAVIES . 325 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13369.0 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 . 108 33.2 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 . 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 . 36 11.1 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 2 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 0 115 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 160.1 23.1 47.6 111.6 2 2 A G > - 0 0 47 1,-0.2 3,-2.0 2,-0.1 2,-0.1 0.017 360.0 -65.2 -62.3 173.0 24.3 44.4 110.1 3 3 A V T 3 S+ 0 0 122 1,-0.3 93,-0.2 93,-0.1 -1,-0.2 -0.441 124.0 7.5 -65.1 131.9 27.7 42.9 110.9 4 4 A G T 3 S+ 0 0 0 91,-2.9 167,-3.1 1,-0.2 2,-0.5 0.546 96.7 136.8 73.5 9.5 30.6 45.1 109.8 5 5 A T E < -A 170 0A 19 -3,-2.0 -1,-0.2 90,-0.5 165,-0.2 -0.776 31.7-173.9 -94.6 127.9 28.1 47.9 108.8 6 6 A V E -A 169 0A 4 163,-3.5 163,-2.3 -2,-0.5 2,-0.1 -0.917 15.4-146.0-125.2 109.0 29.0 51.4 109.7 7 7 A P E -A 168 0A 77 0, 0.0 13,-0.5 0, 0.0 2,-0.3 -0.426 23.5-146.3 -66.6 139.8 26.5 54.2 109.1 8 8 A M E -F 19 0B 9 159,-2.8 2,-0.4 11,-0.1 159,-0.3 -0.772 6.0-134.8-111.9 159.1 28.3 57.5 108.2 9 9 A T E -F 18 0B 67 9,-2.8 9,-1.9 -2,-0.3 2,-0.6 -0.941 15.8-139.4-110.8 131.1 27.6 61.1 108.9 10 10 A D E -F 17 0B 21 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.832 19.2-144.9 -90.0 117.4 27.9 63.6 106.0 11 11 A Y E >> -F 16 0B 94 5,-3.3 4,-2.4 -2,-0.6 5,-0.7 -0.765 53.8 -44.0 -89.5 127.0 29.5 66.8 107.4 12 12 A G T 45S- 0 0 44 -2,-0.5 2,-1.6 1,-0.2 149,-0.1 -0.199 123.1 -9.0 56.6-144.0 28.3 70.1 105.8 13 13 A N T 45S- 0 0 84 1,-0.2 -1,-0.2 148,-0.1 -2,-0.1 -0.450 124.4 -60.6 -86.0 62.4 27.9 70.1 102.0 14 14 A D T 45S+ 0 0 15 -2,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.869 93.3 142.6 63.9 42.2 29.6 66.8 101.4 15 15 A I T <5S- 0 0 47 -4,-2.4 2,-0.3 1,-0.3 286,-0.2 0.901 70.3 -26.8 -77.1 -46.2 32.8 67.9 102.9 16 16 A E E < -F 11 0B 29 -5,-0.7 -5,-3.3 285,-0.1 2,-0.4 -0.952 56.6-130.2-162.6 165.1 33.8 64.7 104.6 17 17 A Y E -F 10 0B 4 -2,-0.3 17,-1.3 202,-0.2 2,-0.3 -0.998 22.5-176.0-130.5 125.9 32.1 61.6 106.1 18 18 A Y E -FG 9 33B 37 -9,-1.9 -9,-2.8 -2,-0.4 2,-0.3 -0.877 5.6-164.4-125.2 158.1 32.8 60.1 109.5 19 19 A G E -FG 8 32B 2 13,-2.4 13,-3.1 -2,-0.3 2,-0.3 -0.907 28.9 -99.8-133.7 161.4 31.6 57.0 111.3 20 20 A Q E - G 0 31B 92 -13,-0.5 75,-0.4 -2,-0.3 2,-0.4 -0.643 35.4-179.7 -86.8 137.5 31.7 55.8 114.9 21 21 A V E - G 0 30B 1 9,-2.3 9,-2.6 -2,-0.3 2,-0.5 -0.989 20.9-136.9-134.6 137.2 34.4 53.4 116.1 22 22 A T E -HG 93 29B 32 71,-1.9 71,-3.5 -2,-0.4 2,-0.4 -0.895 22.9-174.0-101.2 127.3 34.7 52.0 119.6 23 23 A I E > +HG 92 28B 2 5,-2.3 5,-1.8 -2,-0.5 69,-0.2 -0.978 41.3 6.1-123.7 135.6 38.2 51.8 121.0 24 24 A G T 5S- 0 0 11 67,-2.5 39,-0.1 -2,-0.4 66,-0.1 -0.287 89.3 -40.3 95.0 178.3 39.4 50.3 124.3 25 25 A T T 5S+ 0 0 49 1,-0.2 39,-2.5 -2,-0.1 40,-0.3 -0.985 135.3 2.2-132.5 119.0 37.9 48.3 127.1 26 26 A P T 5S- 0 0 125 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 -0.975 120.2-146.8 -67.9 -18.1 35.1 49.0 128.1 27 27 A G T 5 - 0 0 35 35,-0.4 2,-0.3 -5,-0.0 -3,-0.2 0.089 16.0-126.8 103.7 143.4 35.6 51.5 125.2 28 28 A K E < -G 23 0B 70 -5,-1.8 -5,-2.3 -7,-0.0 2,-0.4 -0.896 27.7-114.6-122.5 150.3 34.6 54.9 124.1 29 29 A K E -G 22 0B 115 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.760 32.2-173.0 -92.6 132.8 33.0 56.0 120.8 30 30 A F E -G 21 0B 0 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.7 -0.958 23.3-133.2-126.2 144.9 35.1 58.1 118.4 31 31 A N E -G 20 0B 38 -2,-0.4 89,-3.4 -11,-0.2 90,-0.6 -0.890 33.6-174.4 -95.8 114.7 34.0 59.8 115.2 32 32 A L E -Gi 19 121B 0 -13,-3.1 -13,-2.4 -2,-0.7 2,-0.4 -0.930 28.3-125.0-117.3 145.3 36.7 59.0 112.6 33 33 A D E -Gi 18 122B 15 88,-2.1 90,-2.7 -2,-0.4 2,-0.8 -0.703 28.2-135.4 -76.0 125.1 37.1 60.2 109.0 34 34 A F E - i 0 123B 1 -17,-1.3 2,-0.6 -2,-0.4 -17,-0.2 -0.812 30.5-173.5 -90.3 109.2 37.3 57.0 106.8 35 35 A D E > - i 0 124B 11 88,-2.9 90,-2.9 -2,-0.8 3,-1.3 -0.903 30.2-179.2-117.1 107.6 40.1 57.8 104.4 36 36 A T T 3 S+ 0 0 0 -2,-0.6 159,-0.4 1,-0.3 91,-0.2 0.463 84.4 67.5 -77.0 -2.6 41.2 55.7 101.5 37 37 A G T 3 S+ 0 0 14 89,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.399 105.4 36.4 -94.6 2.1 44.0 58.2 100.8 38 38 A S < - 0 0 9 -3,-1.3 88,-2.6 85,-0.1 87,-0.5 -0.924 60.4-149.6-146.7 169.2 46.0 57.4 104.0 39 39 A S + 0 0 3 91,-0.4 2,-0.4 -2,-0.3 92,-0.1 0.140 59.2 99.5-134.0 24.1 46.9 54.3 106.1 40 40 A D - 0 0 1 91,-0.1 2,-0.8 90,-0.1 84,-0.3 -0.911 56.1-147.0-111.9 141.2 47.3 55.5 109.8 41 41 A L + 0 0 4 -2,-0.4 64,-2.2 62,-0.3 2,-0.4 -0.920 34.5 164.8-104.2 105.0 44.7 55.1 112.5 42 42 A W E -jK 105 122B 0 80,-1.6 80,-1.9 -2,-0.8 2,-0.3 -0.936 13.8-173.9-126.3 150.4 45.2 58.2 114.8 43 43 A I E -jK 106 121B 0 62,-2.1 64,-2.8 -2,-0.4 78,-0.2 -0.979 34.0 -99.2-141.1 151.0 43.0 59.7 117.4 44 44 A A E -j 107 0B 0 76,-2.8 14,-2.7 -2,-0.3 2,-0.3 -0.352 50.4-172.8 -61.0 144.8 43.0 62.8 119.7 45 45 A S B > -n 58 0C 0 62,-0.6 3,-1.6 12,-0.3 14,-0.2 -0.902 41.7-102.5-140.9 170.9 44.2 61.7 123.2 46 46 A T T 3 S+ 0 0 76 12,-2.2 13,-0.1 -2,-0.3 62,-0.1 0.431 117.5 67.3 -75.2 2.6 44.5 63.1 126.7 47 47 A L T 3 S+ 0 0 72 60,-0.4 -1,-0.3 11,-0.3 2,-0.3 0.481 79.6 109.4 -92.2 -10.0 48.2 63.5 126.0 48 48 A a < - 0 0 19 -3,-1.6 61,-0.2 59,-0.2 60,-0.1 -0.536 46.6-173.9 -74.5 131.8 47.3 66.2 123.4 49 49 A T S S+ 0 0 107 59,-2.4 60,-0.1 -2,-0.3 -1,-0.1 0.387 83.7 32.1-105.8 1.8 48.2 69.8 124.2 50 50 A N S S+ 0 0 58 58,-0.3 65,-0.1 2,-0.1 -1,-0.1 0.061 86.4 128.5-144.7 27.1 46.5 71.6 121.3 51 51 A a - 0 0 24 -6,-0.1 2,-0.2 1,-0.1 64,-0.1 -0.333 66.6 -87.6 -83.0 161.8 43.5 69.4 120.5 52 52 A G > - 0 0 9 1,-0.1 3,-0.9 -2,-0.1 -1,-0.1 -0.490 22.5-134.5 -73.8 141.2 39.9 70.7 120.3 53 53 A S T 3 S+ 0 0 129 1,-0.3 -1,-0.1 -2,-0.2 63,-0.1 0.727 107.4 55.1 -65.8 -21.2 37.8 71.0 123.4 54 54 A G T 3 S+ 0 0 71 61,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.709 86.0 97.6 -85.3 -20.0 35.0 69.4 121.4 55 55 A Q S < S- 0 0 12 -3,-0.9 2,-0.4 60,-0.2 65,-0.1 -0.408 78.4-119.3 -70.9 149.6 36.9 66.2 120.3 56 56 A T - 0 0 53 -25,-0.1 2,-0.5 -2,-0.1 -12,-0.3 -0.747 34.9-147.2 -83.8 132.0 36.5 63.0 122.2 57 57 A K - 0 0 50 -2,-0.4 -12,-0.3 -14,-0.1 2,-0.2 -0.889 9.1-125.8-111.3 131.4 39.9 62.0 123.5 58 58 A Y B -n 45 0C 4 -14,-2.7 -12,-2.2 -2,-0.5 -11,-0.3 -0.507 23.6-159.0 -68.9 135.6 41.2 58.6 124.0 59 59 A D > - 0 0 29 -2,-0.2 3,-2.1 -14,-0.2 4,-0.2 -0.940 10.5-159.7-119.5 106.3 42.4 58.1 127.6 60 60 A P G > S+ 0 0 12 0, 0.0 3,-1.8 0, 0.0 6,-0.3 0.851 91.5 62.4 -50.4 -39.5 44.9 55.2 128.1 61 61 A N G 3 S+ 0 0 150 1,-0.3 -3,-0.0 -3,-0.1 5,-0.0 0.734 100.3 52.5 -62.1 -24.6 44.1 55.2 131.8 62 62 A Q G < S+ 0 0 122 -3,-2.1 2,-0.6 1,-0.0 -35,-0.4 0.288 94.8 78.7 -96.8 10.2 40.5 54.3 131.1 63 63 A S X - 0 0 11 -3,-1.8 3,-1.2 -4,-0.2 -39,-0.1 -0.960 58.1-163.7-118.0 118.8 41.2 51.3 128.9 64 64 A S T 3 S+ 0 0 100 -39,-2.5 -1,-0.1 -2,-0.6 -3,-0.0 0.597 92.9 55.3 -76.2 -4.1 42.2 48.0 130.6 65 65 A T T 3 S+ 0 0 51 -40,-0.3 -1,-0.2 26,-0.1 2,-0.2 0.245 76.8 124.9-107.8 11.5 43.5 46.8 127.2 66 66 A Y < - 0 0 68 -3,-1.2 2,-0.4 -6,-0.3 24,-0.2 -0.545 39.4-170.3 -70.3 138.8 45.9 49.7 126.6 67 67 A Q E -L 89 0B 114 22,-1.8 22,-1.8 -2,-0.2 -2,-0.0 -0.992 18.9-128.8-132.6 121.2 49.4 48.5 125.9 68 68 A A E -L 88 0B 54 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.239 20.8-164.8 -66.6 156.0 52.2 51.2 125.8 69 69 A D E - 0 0 47 18,-0.7 18,-0.1 2,-0.1 -1,-0.0 -0.986 21.0-138.4-141.0 140.8 54.7 51.3 122.8 70 70 A G E S+ 0 0 84 -2,-0.3 2,-0.2 16,-0.1 18,-0.1 0.486 70.2 101.4 -84.1 0.8 58.0 53.1 122.7 71 71 A R E - 0 0 101 1,-0.0 16,-2.6 62,-0.0 2,-0.3 -0.526 55.1-151.7 -91.1 154.3 57.6 54.4 119.1 72 72 A T E -L 86 0B 106 14,-0.3 2,-0.3 -2,-0.2 14,-0.3 -0.716 8.6-159.9-113.6 167.1 56.6 57.9 117.9 73 73 A W E -L 85 0B 10 12,-2.2 12,-2.4 -2,-0.3 2,-0.3 -0.974 9.8-175.7-145.6 158.6 54.8 59.0 114.7 74 74 A S E -L 84 0B 83 -2,-0.3 2,-0.4 10,-0.3 10,-0.2 -0.955 8.1-170.6-154.2 136.5 54.3 62.1 112.7 75 75 A I E -L 83 0B 16 8,-2.7 8,-1.6 -2,-0.3 2,-0.4 -0.969 9.9-168.5-136.1 149.2 52.2 62.7 109.6 76 76 A S E -L 82 0B 94 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.951 17.0-151.0-140.2 112.7 51.9 65.5 107.2 77 77 A Y > - 0 0 31 4,-2.4 3,-2.0 -2,-0.4 -39,-0.0 -0.482 28.9-107.9 -84.9 158.1 49.0 65.4 104.8 78 78 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.812 115.4 62.2 -52.5 -39.5 49.0 66.9 101.3 79 79 A D T 3 S- 0 0 132 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.261 121.2-101.1 -74.2 7.6 46.6 69.7 102.4 80 80 A G S < S+ 0 0 63 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.336 83.6 126.8 89.8 -6.9 49.1 71.1 104.9 81 81 A S + 0 0 5 30,-0.1 -4,-2.4 32,-0.1 -1,-0.3 -0.445 33.4 171.8 -81.1 162.2 47.5 69.5 108.0 82 82 A S E -L 76 0B 49 -6,-0.2 29,-2.4 -2,-0.1 2,-0.3 -0.964 17.8-173.0-159.3 172.9 49.6 67.4 110.3 83 83 A A E -LM 75 110B 3 -8,-1.6 -8,-2.7 -2,-0.3 2,-0.3 -0.949 5.5-173.0-167.0 159.1 49.6 65.5 113.7 84 84 A S E +LM 74 109B 39 25,-2.4 24,-3.3 -2,-0.3 25,-1.9 -0.969 22.3 114.1-157.0 163.0 52.2 63.7 115.8 85 85 A G E -LM 73 107B 6 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.3 -0.945 55.4 -48.2 169.3-147.6 52.3 61.6 118.9 86 86 A I E -LM 72 106B 31 20,-1.8 20,-2.7 -2,-0.3 -14,-0.3 -0.874 43.4-115.3-120.8 159.9 53.1 58.1 120.2 87 87 A L E + M 0 105B 0 -16,-2.6 -18,-0.7 -2,-0.3 2,-0.3 -0.406 35.9 166.0 -87.0 162.6 52.0 54.6 119.2 88 88 A A E -LM 68 104B 0 16,-1.8 16,-2.2 -20,-0.2 2,-0.4 -0.930 28.1-123.4-160.6 176.1 49.9 52.3 121.4 89 89 A K E +LM 67 103B 105 -22,-1.8 -22,-1.8 -2,-0.3 2,-0.3 -0.995 40.2 135.1-133.9 138.6 48.0 49.0 121.1 90 90 A D E - 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