==== 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 INHIBITOR 27-DEC-07 3BT4 . COMPND 2 MOLECULE: FUNGAL PROTEASE INHIBITOR-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ANTHERAEA MYLITTA; . AUTHOR S.ROY,P.ARAVIND,C.MADHURANTAKAM,A.K.GHOSH,R.SANKARANANARAYAN . 85 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 D 0 0 145 0, 0.0 2,-1.2 0, 0.0 59,-0.2 0.000 360.0 360.0 360.0 88.6 -2.3 19.5 0.7 2 2 A L - 0 0 69 57,-2.1 59,-0.0 56,-0.1 35,-0.0 -0.620 360.0-117.8 -94.7 84.8 0.4 19.4 -2.0 3 3 A I - 0 0 146 -2,-1.2 2,-1.2 1,-0.2 -1,-0.1 0.324 19.9-140.4 -19.6 122.9 1.1 23.1 -3.2 4 4 A a - 0 0 33 4,-0.0 -1,-0.2 3,-0.0 55,-0.1 -0.645 25.5-173.8-102.1 77.3 0.3 23.4 -6.9 5 5 A G > - 0 0 42 -2,-1.2 3,-2.0 1,-0.1 4,-0.4 -0.168 43.2 -96.4 -65.2 162.6 3.1 25.6 -8.2 6 6 A T T 3 S+ 0 0 146 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.806 124.7 41.1 -54.4 -28.1 3.0 26.8 -11.8 7 7 A N T >> S+ 0 0 84 1,-0.2 4,-1.2 2,-0.1 3,-0.9 0.252 79.0 108.1-106.0 9.9 5.3 23.9 -12.9 8 8 A Y H X> S+ 0 0 33 -3,-2.0 4,-2.2 1,-0.2 3,-0.9 0.921 79.2 52.3 -51.6 -50.2 3.9 21.1 -10.9 9 9 A b H 34 S+ 0 0 38 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.685 100.8 62.0 -66.9 -18.8 2.3 19.4 -13.9 10 10 A K H <4 S+ 0 0 154 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.860 113.4 36.7 -67.2 -36.7 5.7 19.5 -15.8 11 11 A D H << S+ 0 0 125 -4,-1.2 -2,-0.2 -3,-0.9 -1,-0.2 0.774 130.3 33.8 -83.3 -28.4 7.0 17.3 -13.0 12 12 A H S < S- 0 0 99 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.538 86.2-177.1-126.0 65.0 3.7 15.3 -12.7 13 13 A P - 0 0 83 0, 0.0 2,-0.5 0, 0.0 27,-0.1 -0.103 39.3 -90.6 -66.4 157.5 2.4 15.2 -16.3 14 14 A c - 0 0 30 25,-0.4 21,-0.0 1,-0.2 26,-0.0 -0.612 37.4-162.6 -70.9 121.9 -1.0 13.7 -17.3 15 15 A T S S+ 0 0 128 -2,-0.5 -1,-0.2 1,-0.2 25,-0.0 0.862 81.3 16.6 -77.1 -40.8 -0.2 10.0 -18.1 16 16 A S S S- 0 0 105 2,-0.0 -1,-0.2 0, 0.0 24,-0.0 -0.451 83.5-176.3-132.6 66.4 -3.4 9.0 -20.0 17 17 A P - 0 0 78 0, 0.0 2,-0.2 0, 0.0 25,-0.1 -0.275 22.1-127.2 -73.0 143.1 -5.0 12.3 -21.0 18 18 A I - 0 0 65 23,-0.3 2,-0.2 1,-0.1 24,-0.0 -0.550 28.1-114.2 -78.1 154.9 -8.4 12.4 -22.8 19 19 A A > - 0 0 57 -2,-0.2 3,-1.4 1,-0.1 4,-0.3 -0.558 13.0-125.0 -85.8 153.0 -8.6 14.3 -26.1 20 20 A R G > S+ 0 0 186 1,-0.2 3,-1.3 -2,-0.2 9,-0.1 0.892 112.3 63.9 -58.5 -41.1 -10.8 17.4 -26.5 21 21 A A G 3 S+ 0 0 82 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.487 94.0 63.0 -58.2 -12.0 -12.4 15.6 -29.4 22 22 A S G < S+ 0 0 56 -3,-1.4 2,-0.2 2,-0.0 -1,-0.2 0.605 75.0 100.9 -97.3 -16.3 -13.7 12.9 -27.0 23 23 A d < - 0 0 21 -3,-1.3 2,-0.5 -4,-0.3 6,-0.1 -0.551 58.6-153.2 -73.3 135.6 -16.1 15.0 -24.8 24 24 A R > - 0 0 172 -2,-0.2 3,-1.5 4,-0.1 4,-0.0 -0.952 31.6 -84.2-118.5 116.6 -19.8 14.7 -25.8 25 25 A S T 3 S+ 0 0 108 -2,-0.5 3,-0.1 1,-0.3 18,-0.0 -0.218 114.2 43.4 -53.6 143.8 -22.1 17.5 -25.0 26 26 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.3 0, 0.0 20,-0.2 -0.977 114.1 71.2 -75.3 -10.7 -23.7 18.4 -22.6 27 27 A A S < S- 0 0 22 -3,-1.5 2,-0.3 18,-0.1 18,-0.2 -0.408 76.4-154.4 -63.9 143.4 -20.3 17.5 -21.1 28 28 A T E -A 44 0A 68 16,-1.8 16,-3.0 -3,-0.1 2,-0.2 -0.933 14.5-106.1-130.7 148.5 -17.5 20.0 -22.0 29 29 A Y E -A 43 0A 85 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.497 28.4-177.1 -75.4 136.2 -13.7 19.8 -22.3 30 30 A R E -A 42 0A 66 12,-1.9 12,-2.1 -2,-0.2 3,-0.3 -0.992 20.7-148.1-129.6 129.1 -11.5 21.4 -19.7 31 31 A A E S+ 0 0 50 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.797 91.1 30.1 -64.0 -32.4 -7.7 21.3 -20.2 32 32 A N E S+ 0 0 105 1,-0.1 -1,-0.2 9,-0.1 7,-0.2 -0.863 82.0 104.3-136.6 98.1 -6.9 21.1 -16.5 33 33 A H E + 0 0 6 7,-2.8 2,-0.2 -2,-0.4 5,-0.2 0.578 57.9 67.8-138.7 -47.9 -9.4 19.5 -14.2 34 34 A S E S+A 40 0A 26 6,-3.2 6,-2.8 4,-0.3 -1,-0.2 -0.553 79.3 15.1 -98.6 153.9 -8.5 16.0 -13.0 35 35 A G S > S- 0 0 28 26,-0.3 3,-2.8 3,-0.2 26,-0.3 0.018 104.3 -22.7 84.5 169.5 -5.9 14.5 -10.7 36 36 A K G > S+ 0 0 114 1,-0.3 3,-1.1 25,-0.2 23,-0.2 -0.323 139.5 1.9 -50.3 129.2 -3.6 16.1 -8.1 37 37 A a G 3 S- 0 0 8 21,-3.3 -1,-0.3 1,-0.2 -28,-0.1 0.557 118.7 -86.7 59.3 13.8 -3.2 19.8 -9.1 38 38 A A G < S+ 0 0 5 -3,-2.8 -4,-0.3 20,-0.3 -1,-0.2 0.849 77.6 152.5 62.6 38.6 -5.6 19.3 -12.0 39 39 A b < + 0 0 16 -3,-1.1 -25,-0.4 -7,-0.2 -4,-0.2 0.684 51.7 74.9 -71.4 -19.8 -2.9 18.1 -14.5 40 40 A c E S-A 34 0A 34 -6,-2.8 -6,-3.2 -27,-0.1 -7,-2.8 -0.792 80.8-122.5-103.0 138.3 -5.4 16.0 -16.5 41 41 A P E - 0 0 14 0, 0.0 -23,-0.3 0, 0.0 2,-0.3 -0.278 33.6-168.8 -63.9 157.1 -8.1 17.2 -18.9 42 42 A A E -A 30 0A 4 -12,-2.1 -12,-1.9 -25,-0.1 2,-0.8 -0.993 31.9-126.0-147.7 153.3 -11.7 16.2 -18.2 43 43 A d E -A 29 0A 36 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.921 48.3-160.4 -94.3 109.9 -15.2 16.1 -19.8 44 44 A V E -A 28 0A 1 -16,-3.0 -16,-1.8 -2,-0.8 2,-0.4 -0.686 20.5-148.2-104.3 150.3 -17.1 18.0 -17.0 45 45 A T E -b 66 0B 69 20,-2.8 22,-2.9 -2,-0.3 2,-0.4 -0.905 20.4-138.4-105.8 138.0 -20.7 18.3 -16.0 46 46 A L E -b 67 0B 60 -2,-0.4 2,-0.3 20,-0.2 22,-0.2 -0.831 12.7-150.7-104.1 142.3 -22.0 21.6 -14.4 47 47 A L E -b 68 0B 33 20,-2.3 22,-2.8 -2,-0.4 25,-0.1 -0.796 10.8-125.7-112.2 148.6 -24.3 21.8 -11.5 48 48 A R > - 0 0 186 -2,-0.3 3,-1.4 20,-0.2 31,-0.3 -0.391 44.8 -69.9 -85.9 164.9 -26.9 24.4 -10.5 49 49 A E T 3 S+ 0 0 71 1,-0.2 31,-0.2 -2,-0.1 -1,-0.2 -0.295 119.9 12.8 -54.5 132.3 -27.3 26.4 -7.3 50 50 A R T 3 S+ 0 0 179 29,-3.4 -1,-0.2 1,-0.3 30,-0.1 -0.006 93.9 129.5 87.4 -25.2 -28.4 24.2 -4.4 51 51 A A < - 0 0 39 -3,-1.4 28,-2.7 27,-0.1 -1,-0.3 -0.273 68.7 -99.4 -60.3 144.2 -27.8 20.9 -6.3 52 52 A A B -C 78 0C 79 26,-0.2 2,-0.3 -3,-0.1 26,-0.3 -0.388 47.3-179.0 -65.4 143.9 -25.7 18.4 -4.3 53 53 A e - 0 0 16 24,-1.8 2,-0.3 -3,-0.1 14,-0.1 -0.988 27.5-120.6-144.9 151.6 -22.0 18.2 -5.2 54 54 A K - 0 0 152 12,-0.4 20,-0.1 -2,-0.3 12,-0.0 -0.743 49.5 -89.8 -90.9 142.6 -18.9 16.2 -4.2 55 55 A T - 0 0 93 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.164 39.1-154.0 -55.2 133.2 -16.0 18.2 -2.8 56 56 A Y + 0 0 81 18,-0.2 2,-0.3 7,-0.1 7,-0.2 -0.963 27.5 152.2-114.3 118.7 -13.5 19.5 -5.4 57 57 A S B >>> -E 62 0D 33 5,-2.8 5,-2.2 -2,-0.6 3,-0.7 -0.847 21.2-176.7-147.3 107.5 -9.9 20.1 -4.3 58 58 A K T 345S+ 0 0 73 -2,-0.3 -21,-3.3 1,-0.2 3,-0.4 0.823 88.6 64.0 -69.7 -33.0 -7.0 19.8 -6.8 59 59 A E T 345S+ 0 0 64 1,-0.2 -57,-2.1 -23,-0.2 -1,-0.2 0.697 114.3 34.6 -56.6 -20.6 -4.6 20.5 -4.0 60 60 A I T <45S- 0 0 86 -3,-0.7 -1,-0.2 -59,-0.2 -2,-0.2 0.498 112.6-115.1-116.1 -13.5 -5.8 17.3 -2.6 61 61 A G T <5S+ 0 0 20 -4,-0.6 2,-1.0 -3,-0.4 -26,-0.3 0.553 71.5 133.4 80.2 11.5 -6.5 15.3 -5.8 62 62 A E B < +E 57 0D 112 -5,-2.2 -5,-2.8 -27,-0.1 -1,-0.2 -0.795 25.0 160.1 -94.2 98.2 -10.3 15.1 -5.2 63 63 A T - 0 0 27 -2,-1.0 -28,-0.2 -7,-0.2 -7,-0.1 -0.648 17.4-173.6-130.4 71.8 -11.4 16.0 -8.7 64 64 A P - 0 0 17 0, 0.0 -2,-0.0 0, 0.0 -20,-0.0 -0.343 26.7-134.6 -65.4 147.1 -15.0 15.0 -9.6 65 65 A S S S+ 0 0 56 -21,-0.1 -20,-2.8 1,-0.1 2,-0.7 0.601 92.2 73.9 -77.2 -13.1 -16.1 15.6 -13.2 66 66 A A E +b 45 0B 36 -22,-0.2 -12,-0.4 -20,-0.1 2,-0.3 -0.911 69.3 166.9-105.5 114.1 -19.4 17.1 -12.0 67 67 A V E -b 46 0B 14 -22,-2.9 -20,-2.3 -2,-0.7 -12,-0.1 -0.875 41.2 -89.7-129.6 155.6 -18.7 20.6 -10.6 68 68 A f E -b 47 0B 9 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.384 51.3-103.3 -61.8 141.8 -20.7 23.6 -9.5 69 69 A Q > - 0 0 92 -22,-2.8 3,-1.9 1,-0.1 -1,-0.1 -0.590 65.0 -70.2 -73.8 114.3 -21.3 26.1 -12.3 70 70 A E T 3 S+ 0 0 107 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 -0.063 120.4 24.0 -44.7 139.2 -18.8 29.0 -11.7 71 71 A P T 3 S+ 0 0 94 0, 0.0 11,-0.4 0, 0.0 -1,-0.3 -0.915 103.5 98.6 -91.5 18.8 -18.8 31.2 -9.6 72 72 A L < - 0 0 26 -3,-1.9 2,-0.4 -25,-0.1 9,-0.2 -0.366 60.8-151.5 -61.7 142.4 -20.8 28.7 -7.4 73 73 A K E -D 80 0C 106 7,-2.4 7,-3.5 -3,-0.1 2,-1.3 -0.941 19.2-116.6-120.7 145.0 -18.8 26.8 -4.9 74 74 A e E +D 79 0C 33 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.655 48.8 162.8 -77.6 95.7 -19.4 23.3 -3.4 75 75 A L E > -D 78 0C 80 3,-2.2 3,-1.4 -2,-1.3 -22,-0.0 -0.968 65.8 -3.3-120.1 132.8 -19.9 24.1 0.3 76 76 A N T 3 S- 0 0 174 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.738 129.5 -61.3 59.6 24.3 -21.5 21.8 2.8 77 77 A G T 3 S+ 0 0 30 1,-0.2 -24,-1.8 -3,-0.1 2,-0.3 0.625 119.7 98.8 81.4 17.2 -22.1 19.4 -0.1 78 78 A V E < S-CD 52 75C 51 -3,-1.4 -3,-2.2 -26,-0.3 2,-0.7 -0.986 84.3-107.5-136.2 135.9 -24.3 21.9 -2.0 79 79 A f E - D 0 74C 0 -28,-2.7 -29,-3.4 -2,-0.3 2,-0.4 -0.588 51.2-166.4 -65.1 110.7 -23.6 24.3 -4.9 80 80 A T E - D 0 73C 41 -7,-3.5 -7,-2.4 -2,-0.7 2,-0.8 -0.839 27.1-123.6-114.3 132.9 -23.6 27.6 -3.0 81 81 A K - 0 0 140 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.1 -0.651 34.5-172.8 -68.4 109.4 -23.7 31.2 -4.1 82 82 A V - 0 0 63 -2,-0.8 -2,-0.0 -11,-0.4 -1,-0.0 -0.950 9.4-174.3-104.7 124.7 -20.6 32.7 -2.4 83 83 A T - 0 0 124 -2,-0.5 2,-0.1 0, 0.0 -2,-0.0 -0.986 28.4-123.9-116.6 118.8 -20.2 36.4 -2.7 84 84 A P 0 0 116 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.402 360.0 360.0 -68.7 137.3 -16.8 37.6 -1.3 85 85 A R 0 0 282 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.001 360.0 360.0 78.1 360.0 -16.8 40.3 1.5