==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR 06-MAR-98 1A67 . COMPND 2 MOLECULE: CYSTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.DIECKMANN,L.MITSCHANG,M.HOFMANN,J.KOS,V.TURK, . 107 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 69 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 0 0 2 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 . 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 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 9 A G 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.6 -18.7 1.5 17.3 2 10 A A - 0 0 64 44,-0.0 44,-0.1 0, 0.0 2,-0.1 -0.984 360.0 -84.2-172.1 173.3 -15.0 1.9 16.6 3 11 A P - 0 0 59 0, 0.0 42,-0.2 0, 0.0 40,-0.0 -0.236 37.8-165.4 -82.8 173.1 -12.0 0.6 14.6 4 12 A V E -A 44 0A 67 40,-1.5 40,-2.2 -2,-0.1 2,-0.1 -0.968 26.3 -88.5-155.2 167.0 -9.7 -2.3 15.6 5 13 A P E -A 43 0A 100 0, 0.0 2,-0.4 0, 0.0 38,-0.2 -0.349 42.2-116.9 -77.1 159.3 -6.2 -3.8 14.7 6 14 A V - 0 0 40 36,-1.0 2,-0.4 -2,-0.1 36,-0.1 -0.813 19.2-135.1-101.9 139.6 -5.9 -6.4 11.9 7 15 A D > - 0 0 71 -2,-0.4 3,-0.7 1,-0.1 0, 0.0 -0.737 1.5-148.9 -92.1 136.8 -4.7 -9.9 12.7 8 16 A E T 3 S+ 0 0 176 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.089 82.8 87.1 -90.6 27.1 -2.1 -11.4 10.3 9 17 A N T 3 + 0 0 151 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 0.682 65.8 86.9 -97.0 -20.5 -3.5 -14.9 10.9 10 18 A D X - 0 0 95 -3,-0.7 3,-0.7 1,-0.1 4,-0.1 -0.677 58.0-165.8 -82.6 123.0 -6.2 -14.7 8.1 11 19 A E G > S+ 0 0 124 -2,-0.5 3,-1.0 1,-0.2 -1,-0.1 0.500 76.1 83.4 -86.2 -1.2 -4.7 -15.8 4.8 12 20 A G G > S+ 0 0 46 1,-0.2 3,-1.2 2,-0.1 4,-0.5 0.736 77.9 68.5 -73.9 -18.2 -7.8 -14.3 2.9 13 21 A L G <> S+ 0 0 50 -3,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.675 73.7 87.4 -73.8 -13.8 -6.1 -10.9 3.0 14 22 A Q H <> S+ 0 0 121 -3,-1.0 4,-0.6 1,-0.2 -1,-0.2 0.697 86.4 56.2 -60.0 -12.5 -3.4 -12.2 0.6 15 23 A R H X> S+ 0 0 174 -3,-1.2 3,-1.4 2,-0.2 4,-0.7 0.935 98.0 54.8 -84.8 -51.7 -5.8 -11.1 -2.2 16 24 A A H >> S+ 0 0 8 -4,-0.5 4,-1.2 1,-0.3 3,-0.5 0.756 99.9 68.3 -53.6 -18.8 -6.2 -7.5 -1.3 17 25 A L H 3X S+ 0 0 80 -4,-1.1 4,-1.7 1,-0.2 3,-0.3 0.928 90.9 56.6 -68.8 -42.3 -2.4 -7.4 -1.5 18 26 A Q H + 0 0 15 0, 0.0 3,-2.4 0, 0.0 -2,-0.1 -0.302 5.1 158.1 -80.5 50.9 18.4 10.7 2.0 80 88 A E T 3 S+ 0 0 159 -2,-1.6 -3,-0.0 1,-0.3 3,-0.0 0.792 87.4 27.3 -49.8 -21.4 17.6 8.4 4.9 81 89 A M T 3 S+ 0 0 172 -3,-0.3 -1,-0.3 3,-0.0 2,-0.3 -0.236 123.2 51.6-134.1 46.3 15.6 11.4 6.1 82 90 A A S < S+ 0 0 50 -3,-2.4 -7,-0.0 1,-0.3 0, 0.0 -0.982 82.5 44.5-168.6 164.9 14.7 13.2 2.9 83 91 A K S S+ 0 0 114 -2,-0.3 -23,-0.4 1,-0.2 -1,-0.3 0.970 82.6 121.3 53.2 78.8 13.1 12.6 -0.5 84 92 A Y - 0 0 65 -25,-0.2 2,-0.3 -3,-0.1 -25,-0.3 -0.919 46.9-148.3-156.0-179.5 10.1 10.5 0.7 85 93 A T E -C 58 0A 63 -27,-1.4 -27,-2.1 -2,-0.3 2,-0.2 -0.844 8.7-145.9-163.7 123.3 6.3 10.4 0.6 86 94 A T E +C 57 0A 87 -2,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.605 26.2 168.5 -88.7 151.8 3.8 9.0 3.1 87 95 A b E -C 56 0A 0 -31,-2.4 -31,-1.9 -2,-0.2 2,-0.4 -0.986 23.4-140.6-156.2 162.2 0.5 7.4 1.9 88 96 A T E -CD 55 106A 37 18,-0.9 18,-2.2 -2,-0.3 2,-0.4 -0.985 9.9-146.1-134.4 131.5 -2.4 5.4 3.2 89 97 A F E -CD 54 105A 24 -35,-1.2 -35,-2.2 -2,-0.4 2,-0.6 -0.752 4.6-163.0 -94.6 140.1 -4.3 2.5 1.5 90 98 A V E -C 53 0A 18 14,-1.7 13,-1.4 -2,-0.4 14,-0.4 -0.800 18.2-177.4-120.6 89.9 -8.0 2.0 2.1 91 99 A V E -CD 52 102A 11 -39,-2.2 -39,-1.8 -2,-0.6 2,-0.4 -0.494 12.9-150.6 -86.0 158.9 -8.9 -1.5 1.0 92 100 A Y E +CD 51 101A 55 9,-2.3 9,-1.7 -41,-0.2 2,-0.3 -0.977 18.8 170.0-127.6 139.8 -12.4 -3.0 1.1 93 101 A S E +CD 50 100A 22 -43,-2.3 -43,-2.4 -2,-0.4 7,-0.3 -0.908 10.8 147.1-155.2 126.6 -13.1 -6.8 1.5 94 102 A I E > > + D 0 99A 8 5,-2.1 5,-1.9 -2,-0.3 3,-0.5 -0.707 13.3 175.8-162.4 106.2 -16.3 -8.7 2.1 95 103 A P T 3 5S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.499 73.9 80.7 -86.2 -9.1 -17.0 -12.3 0.8 96 104 A W T 3 5S+ 0 0 115 1,-0.2 -47,-0.0 3,-0.1 -2,-0.0 0.649 112.7 10.4 -76.7 -12.4 -20.4 -12.4 2.7 97 105 A L T < 5S- 0 0 114 -3,-0.5 -1,-0.2 2,-0.1 -48,-0.0 0.224 120.5 -80.8-149.5 17.7 -22.3 -10.4 0.1 98 106 A N T 5S+ 0 0 137 -4,-0.2 2,-0.3 1,-0.2 -2,-0.0 0.966 80.4 134.0 80.7 74.2 -20.0 -10.2 -3.0 99 107 A Q E < +D 94 0A 96 -5,-1.9 -5,-2.1 2,-0.0 -1,-0.2 -1.000 10.5 132.7-156.0 153.7 -17.6 -7.3 -2.2 100 108 A I E +D 93 0A 39 -2,-0.3 -7,-0.3 -7,-0.3 2,-0.2 -0.533 23.5 139.6 166.1 123.0 -13.9 -6.4 -2.4 101 109 A K E -D 92 0A 134 -9,-1.7 -9,-2.3 -2,-0.2 2,-0.2 -0.850 46.2-112.7-157.0-165.9 -12.2 -3.2 -3.8 102 110 A L E -D 91 0A 18 -2,-0.2 -11,-0.2 -11,-0.2 3,-0.1 -0.722 17.7-164.7-145.9 88.1 -9.5 -0.6 -3.3 103 111 A L E - 0 0 113 -13,-1.4 2,-0.3 -2,-0.2 -1,-0.2 0.926 55.4 -84.8 -39.4 -66.0 -10.8 2.9 -2.5 104 112 A E E - 0 0 105 -14,-0.4 -14,-1.7 -16,-0.1 2,-0.7 -0.987 37.3 -79.9 174.4-174.7 -7.5 4.6 -3.2 105 113 A S E -D 89 0A 34 -2,-0.3 2,-1.8 -16,-0.2 -16,-0.2 -0.825 33.3-148.7-116.2 95.1 -4.1 5.5 -1.8 106 114 A K E D 88 0A 154 -18,-2.2 -18,-0.9 -2,-0.7 -17,-0.1 -0.363 360.0 360.0 -60.9 87.0 -4.3 8.7 0.3 107 115 A b 0 0 109 -2,-1.8 -20,-0.2 -20,-0.3 -1,-0.1 -0.723 360.0 360.0-112.2 360.0 -0.8 10.0 -0.4