==== 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 2IT7 . COMPND 2 MOLECULE: TRYPSIN INHIBITOR 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.CHICHE,A.HEITZ,D.LE-NGUYEN . 28 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 9 32.1 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 14.3 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 3.6 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 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 14.3 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 0 117 0, 0.0 18,-0.2 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0-179.9 -10.4 1.0 -6.2 2 2 A a - 0 0 44 16,-0.4 16,-0.1 26,-0.1 2,-0.0 -0.400 360.0-122.0 -61.6 127.3 -7.7 1.2 -3.5 3 3 A P - 0 0 60 0, 0.0 13,-0.1 0, 0.0 -1,-0.1 -0.323 20.2-114.3 -70.3 157.4 -9.2 1.8 0.1 4 4 A R S S+ 0 0 273 2,-0.0 2,-0.2 -2,-0.0 -2,-0.0 0.220 76.9 117.9 -81.7 13.2 -8.1 4.8 2.1 5 5 A I - 0 0 108 1,-0.1 2,-0.3 2,-0.0 11,-0.1 -0.592 67.1-118.5 -80.9 141.1 -6.3 2.7 4.8 6 6 A L + 0 0 124 -2,-0.2 2,-0.3 20,-0.1 22,-0.1 -0.633 38.1 170.6 -79.7 139.1 -2.5 3.1 5.4 7 7 A M - 0 0 77 -2,-0.3 20,-2.9 20,-0.3 2,-0.2 -0.972 27.8-130.8-153.3 130.7 -0.3 -0.0 4.8 8 8 A R B +A 26 0A 191 -2,-0.3 2,-0.3 18,-0.2 18,-0.3 -0.599 36.5 168.7 -86.3 147.6 3.5 -0.5 4.6 9 9 A b - 0 0 19 16,-2.7 3,-0.1 -2,-0.2 -2,-0.0 -0.967 46.0-164.1-154.9 161.4 5.0 -2.4 1.7 10 10 A K S S+ 0 0 181 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.429 92.4 12.4-123.4 -16.5 8.0 -3.5 -0.4 11 11 A Q S > S- 0 0 104 14,-0.1 3,-1.9 9,-0.0 -1,-0.4 -0.959 84.8 -99.6-151.9 166.6 5.9 -4.6 -3.5 12 12 A D G > S+ 0 0 92 1,-0.3 3,-1.2 -2,-0.3 7,-0.1 0.749 114.4 72.2 -62.3 -24.7 2.3 -4.3 -4.7 13 13 A S G 3 S+ 0 0 98 1,-0.2 -1,-0.3 8,-0.1 7,-0.0 0.658 91.8 57.9 -64.1 -19.2 1.5 -7.8 -3.4 14 14 A D G < S+ 0 0 66 -3,-1.9 -1,-0.2 -7,-0.0 -2,-0.2 0.655 97.9 83.6 -79.9 -20.1 1.6 -6.4 0.2 15 15 A c S < S- 0 0 19 -3,-1.2 3,-0.1 -4,-0.3 6,-0.1 -0.312 84.2 -98.2 -88.7 165.3 -1.1 -3.8 -0.7 16 16 A L > - 0 0 64 1,-0.2 3,-1.6 -11,-0.1 -1,-0.1 -0.138 64.3 -56.8 -72.0 172.7 -5.0 -4.0 -0.7 17 17 A A T 3 S+ 0 0 83 1,-0.3 -1,-0.2 -16,-0.1 3,-0.1 -0.274 124.3 6.9 -59.8 134.2 -7.1 -4.5 -3.9 18 18 A G T 3 S+ 0 0 72 1,-0.3 -16,-0.4 -16,-0.1 -1,-0.3 0.277 105.7 121.2 75.9 -9.2 -6.5 -2.0 -6.7 19 19 A a < - 0 0 15 -3,-1.6 2,-0.3 -18,-0.2 -1,-0.3 -0.366 48.9-150.7 -79.6 162.8 -3.6 -0.4 -4.8 20 20 A V - 0 0 84 -3,-0.1 8,-2.2 -2,-0.1 2,-0.9 -0.931 25.2-112.9-123.6 153.3 0.1 0.0 -5.7 21 21 A b B -B 27 0B 30 -2,-0.3 6,-0.2 6,-0.2 -9,-0.2 -0.791 41.5-150.3 -85.2 103.5 3.3 0.1 -3.5 22 22 A G > - 0 0 22 4,-1.9 3,-1.8 -2,-0.9 -13,-0.1 -0.159 27.1-100.3 -70.1 168.2 4.5 3.8 -3.9 23 23 A P T 3 S+ 0 0 148 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.681 118.0 69.0 -70.0 -18.0 8.2 5.0 -3.6 24 24 A N T 3 S- 0 0 118 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.540 118.3-109.3 -68.9 -10.8 7.6 6.2 0.0 25 25 A G S < S+ 0 0 21 -3,-1.8 -16,-2.7 1,-0.3 2,-0.3 0.570 86.9 101.8 85.5 12.8 7.3 2.4 1.0 26 26 A F B S-A 8 0A 66 -18,-0.3 -4,-1.9 -4,-0.1 -1,-0.3 -0.898 73.5-101.6-125.1 157.4 3.5 2.7 1.7 27 27 A c B B 21 0B 18 -20,-2.9 -20,-0.3 -2,-0.3 -6,-0.2 -0.431 360.0 360.0 -77.4 148.5 0.4 1.6 -0.3 28 28 A G 0 0 69 -8,-2.2 -7,-0.1 -2,-0.1 -1,-0.1 0.227 360.0 360.0-177.8 360.0 -1.9 3.9 -2.4