==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLANT PROTEIN 19-OCT-06 2IT8 . COMPND 2 MOLECULE: TRYPSIN INHIBITOR 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR O.AVRUTINA,L.CHICHE,U.DIEDERICHSEN,A.HEITZ,H.KOLMAR . 29 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 11 37.9 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 . 4 13.8 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 3.4 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 . 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 . 1 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 13.8 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+4), 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 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 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 124 0, 0.0 2,-0.3 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 176.2 -7.9 -3.2 10.9 2 2 A V - 0 0 112 18,-0.0 17,-1.6 2,-0.0 18,-0.4 -0.964 360.0-115.3-163.6 151.3 -8.4 -3.1 7.1 3 3 A a - 0 0 39 16,-0.3 15,-0.1 -2,-0.3 18,-0.0 -0.900 37.7-123.0 -94.5 118.2 -6.6 -2.0 3.9 4 4 A P - 0 0 55 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 -0.222 20.2-115.6 -57.2 151.0 -8.3 1.0 2.1 5 5 A K S S+ 0 0 222 2,-0.1 2,-0.1 24,-0.0 -2,-0.0 0.151 75.4 122.8 -77.9 17.9 -9.4 0.5 -1.6 6 6 A I - 0 0 89 1,-0.0 2,-0.7 23,-0.0 -3,-0.0 -0.365 67.0-125.8 -79.1 159.7 -6.9 3.2 -2.8 7 7 A L + 0 0 138 -2,-0.1 2,-0.4 20,-0.1 22,-0.1 -0.830 44.2 165.7-105.6 87.5 -4.0 3.0 -5.3 8 8 A K - 0 0 87 -2,-0.7 20,-3.0 20,-0.3 7,-0.0 -0.915 32.0-127.0-107.9 127.1 -1.1 4.3 -3.2 9 9 A K B -A 27 0A 144 -2,-0.4 2,-0.3 18,-0.3 18,-0.3 -0.304 32.6-179.8 -70.6 159.1 2.6 3.9 -4.3 10 10 A b - 0 0 19 16,-2.6 3,-0.1 13,-0.1 11,-0.0 -0.997 42.0-159.6-159.5 153.2 5.2 2.3 -2.0 11 11 A R S S- 0 0 209 1,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.645 91.0 -17.8 -96.2 -30.0 8.9 1.2 -1.4 12 12 A R S > S- 0 0 149 14,-0.1 3,-2.1 9,-0.0 -1,-0.4 -0.931 85.4 -74.8-169.2 173.2 7.8 -1.2 1.5 13 13 A D G > S+ 0 0 82 1,-0.3 3,-1.7 -2,-0.2 7,-0.0 0.748 117.9 72.3 -59.8 -26.8 4.9 -1.9 3.9 14 14 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 8,-0.0 7,-0.0 0.659 94.3 54.6 -63.0 -18.6 5.9 1.2 6.0 15 15 A D G < S+ 0 0 38 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.531 94.4 89.4 -86.5 -10.5 4.5 3.4 3.2 16 16 A c S < S- 0 0 17 -3,-1.7 2,-0.1 -4,-0.3 6,-0.1 -0.752 73.2-128.8-101.9 136.3 1.1 1.6 3.3 17 17 A P > - 0 0 44 0, 0.0 3,-2.3 0, 0.0 2,-0.2 -0.421 63.8 -17.1 -88.7 155.1 -1.9 2.7 5.5 18 18 A G T 3 S- 0 0 77 1,-0.3 -15,-0.2 -15,-0.1 -2,-0.1 -0.384 132.1 -18.8 61.7-123.1 -4.0 0.6 7.9 19 19 A A T 3 S+ 0 0 58 -17,-1.6 -16,-0.3 -2,-0.2 -1,-0.3 0.261 103.1 128.7 -95.9 5.9 -3.6 -3.1 7.2 20 20 A a < - 0 0 7 -3,-2.3 2,-0.3 -18,-0.4 -4,-0.2 -0.369 40.0-162.2 -64.0 144.9 -2.2 -2.5 3.6 21 21 A I - 0 0 81 8,-2.9 8,-2.7 -2,-0.1 2,-0.4 -0.867 29.3 -98.6-120.1 155.7 1.1 -4.2 2.5 22 22 A b B -B 28 0B 24 -2,-0.3 6,-0.2 6,-0.2 -9,-0.2 -0.640 41.3-152.3 -79.6 126.3 3.4 -3.2 -0.4 23 23 A R > - 0 0 133 4,-2.7 3,-2.2 -2,-0.4 4,-0.2 -0.503 29.7 -98.2 -97.9 168.3 2.8 -5.4 -3.6 24 24 A G T 3 S+ 0 0 91 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.654 118.8 63.6 -66.5 -17.6 5.2 -6.4 -6.4 25 25 A N T 3 S- 0 0 116 2,-0.2 -1,-0.3 -16,-0.0 3,-0.1 0.494 121.1-104.7 -77.5 -7.8 3.8 -3.6 -8.8 26 26 A G S < S+ 0 0 27 -3,-2.2 -16,-2.6 1,-0.3 2,-0.3 0.650 87.2 104.7 89.0 19.1 5.1 -0.9 -6.3 27 27 A Y B S-A 9 0A 74 -18,-0.3 -4,-2.7 -4,-0.2 -1,-0.3 -0.914 74.4 -96.7-130.0 156.2 1.6 -0.1 -4.8 28 28 A c B B 22 0B 12 -20,-3.0 -20,-0.3 -2,-0.3 -6,-0.2 -0.475 360.0 360.0 -73.1 138.3 -0.3 -0.8 -1.5 29 29 A G 0 0 46 -8,-2.7 -8,-2.9 -2,-0.2 -24,-0.0 -0.879 360.0 360.0-159.3 360.0 -2.8 -3.8 -1.3