==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER THIOL PROTEASE INHIBITOR 26-FEB-96 1DVD . COMPND 2 MOLECULE: STEFIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.MARTIN,C.J.CRAVEN,R.JERALA,L.KROON-ZITKO,E.ZEROVNIK, . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6108.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 59 60.2 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 . 25 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 14 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 0 0 1 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 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A M 0 0 232 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.8 -18.8 -9.7 8.4 2 7 A I - 0 0 158 2,-0.1 2,-1.0 45,-0.0 45,-0.1 -0.487 360.0-176.1-154.2 77.8 -17.5 -6.1 7.8 3 8 A P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 4,-0.1 -0.646 15.4-179.6 -78.9 101.2 -14.8 -5.0 10.1 4 9 A G + 0 0 43 -2,-1.0 42,-0.1 42,-0.1 44,-0.1 -0.478 38.5 61.1 -96.4 172.1 -14.1 -1.4 9.2 5 10 A G S S- 0 0 37 42,-0.2 40,-0.1 -2,-0.1 43,-0.1 0.357 108.2 -46.4 85.5 136.0 -11.5 0.9 10.8 6 11 A L S S- 0 0 67 41,-0.1 40,-0.1 38,-0.1 2,-0.1 -0.051 74.5-176.6 -37.9 108.1 -7.7 0.3 10.8 7 12 A S - 0 0 33 38,-0.8 3,-0.1 1,-0.3 89,-0.1 -0.431 35.5 -63.4-102.8-179.1 -7.6 -3.4 11.8 8 13 A E S S- 0 0 154 1,-0.2 2,-0.9 -2,-0.1 37,-0.4 0.141 72.3 -78.1 -51.8-177.7 -4.6 -5.7 12.5 9 14 A A - 0 0 21 35,-0.1 35,-0.2 -3,-0.1 -1,-0.2 -0.756 40.5-154.0 -92.2 110.7 -2.3 -6.4 9.5 10 15 A K E -A 43 0A 67 33,-1.6 33,-2.0 -2,-0.9 2,-0.1 -0.616 36.7-102.5 -76.9 138.3 -3.8 -9.0 7.1 11 16 A P E -A 42 0A 98 0, 0.0 31,-0.3 0, 0.0 5,-0.1 -0.405 48.2 -96.0 -64.4 131.8 -0.8 -10.6 5.4 12 17 A A - 0 0 24 29,-1.1 31,-0.1 44,-0.2 43,-0.0 0.137 45.9-174.0 -41.7 167.8 -0.5 -9.1 1.9 13 18 A T > - 0 0 52 29,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.744 49.0 -75.0-147.3-167.4 -2.0 -11.0 -1.0 14 19 A P T 4 S+ 0 0 98 0, 0.0 4,-0.3 0, 0.0 -2,-0.1 0.768 134.1 50.9 -73.1 -20.7 -2.0 -10.6 -4.8 15 20 A E T > S+ 0 0 114 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.905 110.0 47.4 -82.0 -39.9 -4.4 -7.7 -4.3 16 21 A I H > S+ 0 0 6 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.989 114.6 45.9 -62.3 -54.8 -2.3 -6.0 -1.7 17 22 A Q H X S+ 0 0 45 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.751 109.5 59.5 -59.7 -19.4 0.8 -6.4 -3.9 18 23 A E H > S+ 0 0 77 -4,-0.3 4,-1.0 -5,-0.2 -1,-0.2 0.939 102.2 50.1 -76.2 -43.8 -1.5 -5.1 -6.7 19 24 A I H X S+ 0 0 6 -4,-2.3 4,-1.0 -3,-0.3 3,-0.4 0.964 119.6 37.5 -55.5 -52.5 -2.2 -1.8 -4.9 20 25 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 3,-0.4 0.900 115.5 52.8 -67.5 -40.0 1.5 -1.3 -4.4 21 26 A D H < S+ 0 0 85 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.653 112.0 49.1 -70.7 -10.7 2.3 -2.8 -7.8 22 27 A K H < S+ 0 0 100 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.626 120.3 34.1-100.2 -18.1 -0.2 -0.2 -9.1 23 28 A V H X S+ 0 0 1 -4,-1.0 4,-1.3 -3,-0.4 -2,-0.2 0.392 87.9 97.2-116.3 1.5 1.4 2.7 -7.2 24 29 A K H X S+ 0 0 53 -4,-1.7 4,-1.3 1,-0.2 11,-0.4 0.916 95.2 39.2 -57.6 -39.8 5.1 1.6 -7.4 25 30 A P H > S+ 0 0 67 0, 0.0 4,-1.4 0, 0.0 5,-0.3 0.865 111.9 56.2 -77.6 -35.4 5.5 3.9 -10.4 26 31 A Q H 4 S+ 0 0 90 1,-0.2 4,-0.3 -4,-0.2 -2,-0.2 0.718 109.0 51.0 -66.8 -15.3 3.3 6.5 -8.8 27 32 A L H X>S+ 0 0 0 -4,-1.3 4,-0.5 -7,-0.2 5,-0.5 0.810 98.5 63.9 -89.9 -34.3 5.8 6.3 -6.0 28 33 A E H >X>S+ 0 0 45 -4,-1.3 4,-1.3 1,-0.2 5,-1.0 0.962 119.0 23.7 -55.1 -55.2 8.9 6.7 -8.2 29 34 A E H 3<5S+ 0 0 192 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.585 116.1 66.6 -90.2 -8.5 8.0 10.3 -9.2 30 35 A K H 345S+ 0 0 125 -5,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.417 118.2 21.8 -91.2 5.4 5.8 11.0 -6.1 31 36 A T H <<5S- 0 0 27 -4,-0.5 -2,-0.2 -3,-0.5 -3,-0.1 0.580 107.9-103.4-131.6 -56.8 8.8 10.8 -3.8 32 37 A N T < - 0 0 42 -2,-0.2 -20,-2.3 12,-0.1 3,-1.3 -0.766 36.7-153.3 -96.2 96.7 6.1 5.7 4.4 87 115 A V T 3 S+ 0 0 53 -2,-1.1 -22,-0.2 1,-0.3 3,-0.1 -0.293 75.5 13.7 -67.7 157.0 9.3 5.5 2.4 88 115AA D T 3 S+ 0 0 99 -24,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.741 90.4 152.4 51.6 21.2 12.4 4.0 3.9 89 116 A K < - 0 0 63 -3,-1.3 -1,-0.2 -25,-0.4 -25,-0.2 -0.664 35.3-142.5 -83.1 131.2 10.0 2.6 6.6 90 117 A N > - 0 0 96 -2,-0.4 3,-0.9 -3,-0.1 -27,-0.1 -0.255 26.1 -97.0 -86.4 178.6 11.4 -0.7 8.0 91 118 A K T 3 S+ 0 0 126 1,-0.3 -1,-0.1 -2,-0.0 -28,-0.0 0.953 119.1 66.7 -61.5 -50.0 9.5 -3.8 9.1 92 119 A D T 3 S+ 0 0 145 1,-0.1 2,-1.6 2,-0.1 -1,-0.3 0.811 80.9 95.7 -43.3 -26.4 9.5 -2.8 12.8 93 120 A D S < S- 0 0 41 -3,-0.9 -1,-0.1 2,-0.0 2,-0.1 -0.476 70.1-158.3 -69.4 93.3 7.2 -0.0 11.5 94 121 A E - 0 0 101 -2,-1.6 -2,-0.1 1,-0.2 3,-0.1 -0.465 20.0-128.1 -68.2 142.0 3.8 -1.6 12.1 95 122 A L + 0 0 0 -2,-0.1 -1,-0.2 1,-0.1 -40,-0.1 0.915 46.7 162.4 -64.2 -35.6 1.3 0.2 9.8 96 123 A T S S- 0 0 73 -89,-0.1 -89,-0.1 -42,-0.0 -52,-0.1 -0.220 77.3 -20.2 49.5-149.7 -1.0 1.0 12.7 97 124 A G 0 0 26 -91,-0.1 -53,-0.1 -3,-0.1 -90,-0.1 0.823 360.0 360.0 -48.8 -99.1 -3.3 3.8 11.3 98 125 A F 0 0 62 -44,-0.1 -12,-0.1 -92,-0.0 -31,-0.1 0.890 360.0 360.0-100.5 360.0 -0.9 4.8 8.5