==== 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 03-AUG-89 5APR . COMPND 2 MOLECULE: RHIZOPUSPEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOPUS CHINENSIS; . AUTHOR K.SUGUNA,D.R.DAVIES . 331 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 32.9 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 . 43 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 6.0 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 . 3 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 0 115 0, 0.0 3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 156.0 23.0 47.6 111.4 2 2 E G > - 0 0 46 1,-0.2 3,-1.7 2,-0.1 2,-0.2 0.088 360.0 -65.3 -60.5 175.1 24.3 44.4 109.9 3 3 E V T 3 S+ 0 0 120 1,-0.3 93,-0.2 93,-0.1 -1,-0.2 -0.481 124.1 8.6 -68.2 133.1 27.7 42.9 110.8 4 4 E G T 3 S+ 0 0 0 91,-2.8 167,-3.4 1,-0.2 2,-0.5 0.567 97.0 137.4 73.0 11.2 30.6 45.2 109.6 5 5 E T E < -A 170 0A 18 -3,-1.7 -1,-0.2 90,-0.6 165,-0.2 -0.802 31.3-174.9 -94.9 125.8 28.1 47.9 108.6 6 6 E V E -A 169 0A 4 163,-3.3 163,-2.2 -2,-0.5 2,-0.1 -0.916 15.5-146.4-124.4 109.1 29.0 51.5 109.5 7 7 E P E -A 168 0A 78 0, 0.0 13,-0.5 0, 0.0 2,-0.3 -0.445 22.8-145.8 -67.4 141.7 26.5 54.3 108.9 8 8 E M - 0 0 9 159,-2.8 2,-0.5 149,-0.1 159,-0.3 -0.765 6.1-136.3-113.0 159.2 28.3 57.5 108.0 9 9 E T E -F 18 0B 70 9,-2.7 9,-1.9 -2,-0.3 2,-0.6 -0.954 16.2-139.2-112.7 130.1 27.5 61.2 108.7 10 10 E D E -F 17 0B 21 -2,-0.5 2,-0.5 7,-0.2 7,-0.2 -0.808 18.9-144.8 -90.4 117.3 27.9 63.7 105.8 11 11 E Y E >> -F 16 0B 90 5,-3.3 4,-2.4 -2,-0.6 5,-0.8 -0.787 54.2 -43.8 -89.4 126.1 29.5 66.9 107.2 12 12 E G T 45S- 0 0 43 -2,-0.5 2,-1.7 1,-0.2 149,-0.1 -0.163 123.4 -8.9 55.8-144.0 28.3 70.1 105.7 13 13 E N T 45S- 0 0 84 1,-0.2 -1,-0.2 148,-0.1 -2,-0.1 -0.433 124.0 -61.3 -85.6 62.4 27.9 70.2 101.9 14 14 E D T 45S+ 0 0 15 -2,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.877 93.3 143.3 62.0 41.7 29.6 66.8 101.3 15 15 E I T <5S- 0 0 24 -4,-2.4 313,-0.5 1,-0.4 2,-0.3 0.905 70.7 -27.3 -75.0 -46.3 32.8 68.0 102.8 16 16 E E E < -F 11 0B 1 -5,-0.8 -5,-3.3 311,-0.1 2,-0.4 -0.946 56.3-128.8-163.6 165.4 33.7 64.7 104.4 17 17 E Y E -F 10 0B 4 -2,-0.3 17,-1.4 202,-0.2 2,-0.3 -0.998 23.0-176.6-129.2 125.7 32.1 61.6 105.9 18 18 E Y E -FG 9 33B 38 -9,-1.9 -9,-2.7 -2,-0.4 2,-0.3 -0.885 5.4-165.2-125.4 154.5 32.8 60.1 109.3 19 19 E G E - G 0 32B 2 13,-2.1 13,-2.8 -2,-0.3 2,-0.3 -0.911 29.5 -99.3-134.1 159.6 31.6 57.0 111.2 20 20 E Q E - G 0 31B 98 -13,-0.5 75,-0.5 -2,-0.3 2,-0.4 -0.634 35.6-178.6 -84.9 134.1 31.7 55.8 114.8 21 21 E V E - G 0 30B 0 9,-2.4 9,-2.8 -2,-0.3 2,-0.5 -0.988 20.2-137.8-132.8 137.7 34.4 53.4 115.9 22 22 E T E -HG 93 29B 30 71,-1.8 71,-3.4 -2,-0.4 2,-0.4 -0.883 22.8-174.9-100.8 127.1 34.7 52.0 119.4 23 23 E I E > +HG 92 28B 3 5,-2.6 5,-1.7 -2,-0.5 69,-0.2 -0.987 41.3 6.9-125.4 134.6 38.2 51.9 120.8 24 24 E G T 5S- 0 0 11 67,-2.5 39,-0.1 -2,-0.4 66,-0.1 -0.322 89.1 -39.7 97.1 179.3 39.3 50.3 124.1 25 25 E T T 5S+ 0 0 48 1,-0.2 39,-2.4 -2,-0.1 40,-0.3 -0.984 135.5 0.2-134.8 117.9 37.9 48.3 127.0 26 26 E P T 5S- 0 0 123 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 -0.968 120.3-148.3 -68.2 -20.1 35.2 49.0 127.9 27 27 E G T 5 - 0 0 33 35,-0.4 2,-0.3 -5,-0.1 -3,-0.2 0.062 16.7-125.8 104.7 146.4 35.6 51.5 125.1 28 28 E K E < -G 23 0B 62 -5,-1.7 -5,-2.6 -7,-0.0 2,-0.4 -0.888 28.4-114.8-122.6 150.7 34.6 55.0 123.8 29 29 E K E -G 22 0B 109 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.778 31.3-171.9 -94.5 132.3 33.1 56.0 120.5 30 30 E F E -G 21 0B 0 -9,-2.8 -9,-2.4 -2,-0.4 2,-0.7 -0.938 22.9-133.1-125.0 145.4 35.1 58.1 118.2 31 31 E N E -G 20 0B 35 -2,-0.4 89,-3.4 -11,-0.2 90,-0.7 -0.909 33.8-175.3 -97.0 110.2 34.0 59.8 115.0 32 32 E L E -Gi 19 121B 0 -13,-2.8 -13,-2.1 -2,-0.7 2,-0.4 -0.889 28.9-123.0-112.8 147.2 36.7 59.0 112.4 33 33 E D E -Gi 18 122B 1 88,-2.0 90,-2.5 -2,-0.4 2,-0.8 -0.740 29.0-132.7 -78.5 123.6 37.1 60.3 108.8 34 34 E F E - i 0 123B 1 -17,-1.4 2,-0.6 -2,-0.4 -17,-0.2 -0.777 32.6-173.1 -86.9 110.2 37.2 57.1 106.6 35 35 E D E > + i 0 124B 0 88,-2.9 90,-3.2 -2,-0.8 3,-1.2 -0.895 30.9 179.6-118.6 106.3 40.1 57.8 104.3 36 36 E T T 3 S+ 0 0 0 -2,-0.6 159,-0.3 1,-0.2 91,-0.2 0.516 83.3 67.7 -74.7 -7.6 41.2 55.7 101.3 37 37 E G T 3 S+ 0 0 0 89,-0.1 294,-2.0 157,-0.1 295,-0.4 0.359 105.2 35.0 -91.7 4.5 44.0 58.2 100.6 38 38 E S < - 0 0 0 -3,-1.2 88,-2.5 292,-0.2 87,-0.4 -0.925 60.2-148.8-150.3 166.5 46.1 57.3 103.8 39 39 E S + 0 0 2 91,-0.4 2,-0.4 -2,-0.3 92,-0.1 0.134 59.4 101.9-133.3 27.8 46.8 54.3 106.0 40 40 E D - 0 0 1 91,-0.1 2,-0.7 90,-0.1 84,-0.2 -0.919 55.1-148.6-112.0 138.4 47.3 55.5 109.6 41 41 E L + 0 0 3 -2,-0.4 64,-2.2 62,-0.3 2,-0.3 -0.930 34.1 163.7-103.3 105.7 44.7 55.1 112.3 42 42 E W E -jK 105 122B 0 80,-1.5 80,-1.7 -2,-0.7 2,-0.3 -0.942 15.2-173.0-127.9 151.9 45.2 58.1 114.6 43 43 E I E -jK 106 121B 0 62,-2.0 64,-2.6 -2,-0.3 78,-0.2 -0.985 34.2 -99.9-143.5 148.0 43.0 59.7 117.3 44 44 E A E -j 107 0B 0 76,-2.7 14,-2.5 -2,-0.3 2,-0.3 -0.308 51.0-173.4 -58.2 143.7 43.0 62.8 119.5 45 45 E S B > -n 58 0C 0 62,-0.6 3,-1.6 12,-0.3 14,-0.2 -0.907 41.9-101.1-141.8 171.8 44.2 61.7 123.0 46 46 E T T 3 S+ 0 0 77 12,-2.2 13,-0.1 -2,-0.3 62,-0.1 0.460 118.2 67.0 -74.9 2.2 44.6 63.1 126.5 47 47 E L T 3 S+ 0 0 72 60,-0.4 -1,-0.3 11,-0.2 2,-0.2 0.482 80.2 110.3 -90.3 -13.2 48.3 63.5 125.7 48 48 E a < - 0 0 20 -3,-1.6 61,-0.2 59,-0.3 3,-0.1 -0.465 46.2-174.8 -71.6 129.6 47.3 66.2 123.2 49 49 E T S S+ 0 0 106 59,-2.6 60,-0.1 -2,-0.2 -1,-0.1 0.436 82.8 31.7-104.6 -0.3 48.2 69.8 124.0 50 50 E N S S+ 0 0 60 58,-0.3 65,-0.1 2,-0.1 -1,-0.1 -0.005 87.1 130.6-143.9 30.2 46.6 71.7 121.1 51 51 E a - 0 0 24 -3,-0.1 2,-0.1 -6,-0.1 64,-0.1 -0.403 65.6 -87.8 -86.2 158.2 43.5 69.5 120.4 52 52 E G > - 0 0 10 1,-0.1 3,-1.0 -2,-0.1 -1,-0.1 -0.441 22.6-136.9 -66.9 136.1 39.9 70.7 120.0 53 53 E S T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -2,-0.1 63,-0.1 0.736 107.4 55.8 -66.0 -21.4 37.8 71.0 123.2 54 54 E G T 3 S+ 0 0 72 61,-0.3 -1,-0.3 63,-0.1 2,-0.1 0.690 86.5 98.4 -83.9 -19.6 35.0 69.4 121.1 55 55 E Q S < S- 0 0 12 -3,-1.0 2,-0.4 60,-0.2 65,-0.1 -0.408 78.0-120.5 -73.0 148.7 37.0 66.3 120.1 56 56 E T - 0 0 55 -25,-0.1 2,-0.5 -2,-0.1 -12,-0.3 -0.768 34.8-148.2 -84.2 130.2 36.5 63.0 121.9 57 57 E K - 0 0 52 -2,-0.4 -12,-0.3 -14,-0.1 2,-0.2 -0.893 9.7-126.0-109.9 131.2 39.9 62.0 123.3 58 58 E Y B -n 45 0C 4 -14,-2.5 -12,-2.2 -2,-0.5 -11,-0.2 -0.540 23.1-158.1 -70.4 135.9 41.2 58.6 123.8 59 59 E D > - 0 0 29 -2,-0.2 3,-1.6 -14,-0.2 4,-0.1 -0.959 9.6-159.9-118.7 106.7 42.4 58.1 127.4 60 60 E P G > S+ 0 0 12 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.831 91.6 61.4 -52.5 -37.5 44.9 55.3 127.9 61 61 E N G 3 S+ 0 0 150 1,-0.3 -3,-0.0 -3,-0.1 5,-0.0 0.735 100.8 53.4 -64.3 -23.7 44.1 55.2 131.6 62 62 E Q G < S+ 0 0 120 -3,-1.6 2,-0.5 2,-0.0 -35,-0.4 0.276 94.7 78.2 -96.7 8.5 40.5 54.3 130.9 63 63 E S X - 0 0 12 -3,-1.6 3,-1.0 -4,-0.1 -39,-0.1 -0.980 59.1-162.8-118.7 121.2 41.2 51.3 128.7 64 64 E S T 3 S+ 0 0 101 -39,-2.4 -1,-0.1 -2,-0.5 -3,-0.0 0.552 93.2 54.3 -78.0 -4.3 42.1 48.1 130.4 65 65 E T T 3 S+ 0 0 48 -40,-0.3 -1,-0.2 26,-0.1 2,-0.1 0.271 76.1 125.1-110.9 10.4 43.5 46.8 127.1 66 66 E Y < - 0 0 67 -3,-1.0 2,-0.4 -6,-0.3 24,-0.2 -0.504 39.6-168.3 -68.8 140.8 45.9 49.7 126.3 67 67 E Q E -L 89 0B 114 22,-1.8 22,-1.7 -2,-0.1 -2,-0.0 -0.989 18.3-128.0-134.4 121.0 49.4 48.6 125.7 68 68 E A E -L 88 0B 55 -2,-0.4 2,-0.3 20,-0.2 20,-0.2 -0.235 21.4-164.7 -64.6 155.6 52.3 51.2 125.6 69 69 E D E - 0 0 49 18,-0.7 18,-0.2 2,-0.1 -1,-0.0 -0.995 20.7-138.7-143.0 139.9 54.6 51.3 122.6 70 70 E G E S+ 0 0 83 -2,-0.3 2,-0.2 16,-0.1 18,-0.1 0.507 70.3 99.3 -83.9 1.7 58.0 53.1 122.4 71 71 E R E - 0 0 102 1,-0.0 16,-2.6 62,-0.0 2,-0.2 -0.559 55.6-151.4 -94.0 154.7 57.6 54.5 118.9 72 72 E T E -L 86 0B 106 14,-0.3 2,-0.3 -2,-0.2 14,-0.3 -0.688 9.7-160.0-111.9 167.4 56.5 57.9 117.7 73 73 E W E -L 85 0B 10 12,-2.5 12,-2.4 -2,-0.2 2,-0.3 -0.980 9.2-173.9-146.7 160.0 54.8 59.0 114.5 74 74 E S E -L 84 0B 84 -2,-0.3 2,-0.4 10,-0.3 10,-0.2 -0.964 7.4-170.1-153.6 137.8 54.3 62.1 112.5 75 75 E I E -L 83 0B 4 8,-2.8 8,-1.6 -2,-0.3 2,-0.4 -0.971 9.3-170.1-136.2 149.8 52.1 62.6 109.5 76 76 E S E -L 82 0B 80 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.976 19.3-146.9-140.5 118.7 51.8 65.4 107.0 77 77 E Y > - 0 0 5 4,-2.9 3,-2.7 -2,-0.4 254,-0.3 -0.549 28.4-104.8 -91.7 158.9 48.9 65.3 104.5 78 78 E G T 3 S+ 0 0 43 252,-2.7 252,-0.2 1,-0.3 253,-0.1 0.821 119.0 56.4 -44.4 -46.8 48.7 66.6 101.0 79 79 E D T 3 S- 0 0 65 250,-2.2 -1,-0.3 251,-0.4 3,-0.1 0.210 121.5-102.0 -75.9 12.2 46.7 69.6 102.1 80 80 E G S < S+ 0 0 62 -3,-2.7 -2,-0.1 1,-0.3 -1,-0.1 0.372 81.7 128.4 86.9 -8.0 49.3 70.8 104.6 81 81 E S + 0 0 5 248,-0.3 -4,-2.9 249,-0.1 -1,-0.3 -0.437 34.2 175.4 -79.3 163.7 47.5 69.5 107.7 82 82 E S E -L 76 0B 48 -6,-0.2 29,-2.4 -3,-0.1 2,-0.3 -0.956 20.2-172.6-157.9 173.7 49.5 67.3 110.1 83 83 E A E -LM 75 110B 3 -8,-1.6 -8,-2.8 -2,-0.3 2,-0.3 -0.947 7.5-175.6-165.9 160.2 49.5 65.4 113.4 84 84 E S E +LM 74 109B 38 25,-2.3 24,-3.0 -2,-0.3 25,-1.8 -0.971 21.7 111.2-160.6 161.2 52.1 63.6 115.5 85 85 E G E -LM 73 107B 7 -12,-2.4 -12,-2.5 -2,-0.3 2,-0.3 -0.944 56.2 -44.2 168.7-144.3 52.4 61.5 118.7 86 86 E I E -LM 72 106B 31 20,-1.6 20,-2.5 -2,-0.3 -14,-0.3 -0.869 44.1-114.5-122.5 157.4 53.1 58.0 120.0 87 87 E L E + M 0 105B 0 -16,-2.6 -18,-0.7 -2,-0.3 2,-0.3 -0.369 35.9 165.6 -84.6 162.1 52.0 54.5 119.0 88 88 E A E -LM 68 104B 0 16,-1.6 16,-2.0 -20,-0.2 2,-0.4 -0.937 27.8-124.7-162.5 174.7 49.9 52.3 121.2 89 89 E K E +LM 67 103B 108 -22,-1.7 -22,-1.8 -2,-0.3 2,-0.3 -0.999 39.9 133.5-135.4 139.4 47.9 49.1 120.9 90 90 E D E - 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