==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEINASE INHIBITOR 26-MAR-91 1PI2 . COMPND 2 MOLECULE: BOWMAN-BIRK INHIBITOR (PI-II); . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR P.CHEN,J.ROSE,B.C.WANG . 61 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 24 39.3 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 . 13 21.3 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 . 5 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A Y 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.7 47.5 56.7 34.0 2 4 A S + 0 0 91 27,-0.1 28,-1.5 2,-0.1 29,-0.3 0.593 360.0 108.3 -94.3 -19.2 44.5 58.3 35.8 3 5 A K S S- 0 0 154 26,-0.1 2,-0.4 27,-0.1 26,-0.0 -0.254 77.3-105.7 -63.0 147.6 45.6 61.9 34.9 4 6 A P + 0 0 35 0, 0.0 52,-0.4 0, 0.0 2,-0.3 -0.665 55.1 138.2 -89.1 125.1 43.6 63.9 32.3 5 7 A a - 0 0 5 -2,-0.4 2,-0.3 50,-0.2 24,-0.1 -0.828 31.4-151.0-146.2 173.9 45.0 64.5 28.7 6 8 A b - 0 0 6 50,-1.9 3,-0.2 -2,-0.3 48,-0.0 -0.846 11.8-171.4-160.1 127.6 43.4 64.3 25.1 7 9 A D S S+ 0 0 88 1,-0.3 2,-0.6 -2,-0.3 -1,-0.1 0.846 84.2 37.1 -86.8 -46.1 45.0 63.4 21.7 8 10 A L S S+ 0 0 129 2,-0.0 2,-0.3 49,-0.0 -1,-0.3 -0.983 75.0 170.5-112.5 109.6 42.1 64.3 19.3 9 11 A c - 0 0 49 -2,-0.6 2,-0.3 -3,-0.2 12,-0.2 -0.890 12.6-166.7-118.6 149.9 40.2 67.5 20.4 10 12 A M E -A 20 0A 132 10,-1.4 10,-1.8 -2,-0.3 2,-0.3 -0.983 4.9-173.0-138.7 143.2 37.5 69.5 18.5 11 13 A d E -A 19 0A 64 -2,-0.3 2,-0.2 8,-0.2 8,-0.2 -0.945 25.4-115.6-134.5 153.3 36.0 73.0 19.2 12 14 A T - 0 0 73 6,-1.0 2,-0.3 -2,-0.3 6,-0.2 -0.608 28.6-121.5 -85.3 146.0 33.1 75.2 17.8 13 15 A R S S+ 0 0 253 -2,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.021 81.2 106.8 -79.2 33.6 34.2 78.5 16.1 14 16 A S S S- 0 0 63 -2,-0.3 4,-0.0 2,-0.1 -2,-0.0 -0.581 79.3 -86.0-101.6 167.6 32.0 80.5 18.7 15 17 A M S S+ 0 0 176 -2,-0.2 -2,-0.1 1,-0.1 3,-0.0 -0.980 119.6 26.8-124.9 118.7 33.2 82.6 21.8 16 18 A P S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.585 106.5-129.0 -68.6 156.9 33.7 81.0 24.4 17 19 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.320 8.3-140.1 -73.0 159.6 34.5 77.8 22.4 18 20 A Q - 0 0 79 -6,-0.2 -6,-1.0 34,-0.1 2,-0.3 -0.979 31.1-179.4-124.5 110.2 32.7 74.4 23.3 19 21 A d E +AB 11 51A 4 32,-2.3 32,-1.5 -2,-0.4 -8,-0.2 -0.850 13.4 165.7-121.6 151.8 35.3 71.4 23.1 20 22 A S E -A 10 0A 47 -10,-1.8 -10,-1.4 -2,-0.3 30,-0.1 -0.765 12.2-154.1-145.1-174.4 35.4 67.4 23.6 21 23 A b - 0 0 40 26,-0.6 2,-0.2 28,-0.3 -1,-0.1 0.241 11.5 -69.3-131.3-129.5 37.6 64.2 22.9 22 24 A E - 0 0 26 -13,-0.0 25,-0.7 23,-0.0 2,-0.2 -0.831 43.3 -39.7-137.3-168.5 38.3 60.3 22.3 23 25 A D E +C 46 0B 67 -2,-0.2 2,-0.3 23,-0.2 23,-0.2 -0.489 32.2 160.1 -90.8 129.6 38.6 56.4 23.2 24 26 A R E -C 45 0B 91 21,-2.6 21,-3.9 -2,-0.2 2,-0.4 -0.922 39.7-109.2-138.9 152.3 39.8 54.2 26.3 25 27 A I E S-C 44 0B 114 -2,-0.3 2,-1.0 19,-0.2 19,-0.3 -0.718 88.9 -18.1 -97.0 128.9 39.0 50.5 27.3 26 28 A N S S+ 0 0 92 17,-3.8 2,-0.3 -2,-0.4 -1,-0.1 0.030 126.8 37.4 77.1 -34.9 36.7 49.9 30.5 27 29 A S - 0 0 85 -2,-1.0 18,-0.2 16,-0.2 2,-0.1 -0.999 64.4-136.8-148.8 153.4 37.1 53.5 32.1 28 30 A e - 0 0 30 -2,-0.3 7,-0.1 1,-0.2 -5,-0.1 -0.489 51.8 -66.3 -99.5 176.0 37.3 57.3 31.3 29 31 A H > - 0 0 37 -2,-0.1 3,-1.4 -24,-0.1 -1,-0.2 -0.150 46.3-112.0 -66.9 154.1 39.8 59.9 32.9 30 32 A S T 3 S+ 0 0 87 -28,-1.5 -1,-0.1 1,-0.3 -27,-0.1 0.824 118.4 55.1 -52.2 -35.1 39.3 60.7 36.7 31 33 A D T 3 S+ 0 0 80 -29,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.682 82.1 112.9 -80.8 -15.8 38.2 64.3 35.7 32 34 A f < - 0 0 23 -3,-1.4 3,-0.2 1,-0.1 -4,-0.1 -0.354 45.2-171.1 -60.1 132.1 35.3 63.0 33.3 33 35 A K S S+ 0 0 133 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.661 76.7 26.2 -99.3 -26.5 31.7 63.8 34.5 34 36 A S S S- 0 0 65 2,-0.0 14,-2.0 0, 0.0 15,-0.5 -0.938 75.3-174.9-139.8 110.2 29.5 61.7 32.0 35 37 A e E -D 47 0B 58 -2,-0.4 2,-0.5 12,-0.2 12,-0.2 -0.986 7.9-156.2-113.8 129.0 31.3 58.6 30.5 36 38 A M E +D 46 0B 117 10,-2.9 10,-2.0 -2,-0.4 2,-0.2 -0.940 15.5 173.3-119.6 129.0 29.8 56.3 27.8 37 39 A g E -D 45 0B 64 -2,-0.5 2,-0.3 8,-0.2 8,-0.2 -0.746 32.3-106.0-126.3 162.0 30.7 52.7 27.1 38 40 A T - 0 0 66 6,-0.9 2,-1.8 -2,-0.2 -12,-0.1 -0.692 34.8-116.1 -87.3 140.6 29.7 49.6 25.0 39 41 A R S S+ 0 0 234 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 -0.653 83.6 93.6 -79.6 84.4 27.9 46.7 26.7 40 42 A S S S- 0 0 53 -2,-1.8 3,-0.3 4,-0.0 -2,-0.1 -0.953 81.3 -78.2-165.7 168.7 30.8 44.2 25.9 41 43 A Q S S+ 0 0 163 1,-0.4 2,-0.1 -2,-0.3 -2,-0.1 -0.983 121.9 20.6-126.0 114.0 34.0 42.8 27.5 42 44 A P S S- 0 0 67 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.580 99.3-146.6 -83.8 144.3 36.3 44.7 27.4 43 45 A G - 0 0 4 -3,-0.3 -17,-3.8 -2,-0.1 2,-0.5 -0.447 4.6-136.5 -75.3 143.8 34.1 47.8 26.9 44 46 A Q E -C 25 0B 102 -19,-0.3 -6,-0.9 -2,-0.2 2,-0.3 -0.953 29.5-163.8-106.7 116.1 35.4 50.8 24.7 45 47 A g E -CD 24 37B 1 -21,-3.9 -21,-2.6 -2,-0.5 2,-0.3 -0.793 15.8-174.0-109.5 154.4 34.6 54.2 26.4 46 48 A R E -CD 23 36B 130 -10,-2.0 -10,-2.9 -2,-0.3 2,-0.4 -0.979 26.1-119.9-140.8 147.9 34.5 57.9 25.5 47 49 A f E - D 0 35B 18 -25,-0.7 -26,-0.6 -2,-0.3 -12,-0.2 -0.739 18.5-174.7 -93.0 133.3 34.0 61.2 27.5 48 50 A L + 0 0 96 -14,-2.0 -13,-0.1 -2,-0.4 -1,-0.1 0.407 44.8 121.9-101.0 -8.9 30.9 63.4 26.5 49 51 A D - 0 0 27 -15,-0.5 2,-0.3 1,-0.0 -28,-0.3 -0.206 50.1-150.9 -53.5 152.8 31.8 66.3 28.8 50 52 A T + 0 0 73 -30,-0.1 2,-0.2 -29,-0.0 -30,-0.2 -0.956 19.1 171.1-133.2 134.8 32.3 69.7 27.0 51 53 A N B -B 19 0A 39 -32,-1.5 -32,-2.3 -2,-0.3 3,-0.0 -0.592 45.3-113.3-131.6-169.9 34.6 72.6 28.3 52 54 A D S S+ 0 0 95 -34,-0.2 2,-0.3 -2,-0.2 -34,-0.1 0.043 100.4 48.6-116.7 16.7 35.9 76.0 26.8 53 55 A F S S- 0 0 107 -34,-0.2 2,-0.3 -37,-0.1 -2,-0.2 -0.964 78.8-122.8-149.1 161.2 39.4 74.5 26.7 54 56 A c - 0 0 58 -2,-0.3 -48,-0.1 -45,-0.1 -33,-0.0 -0.829 25.3-124.3-103.9 144.2 41.3 71.3 25.4 55 57 A Y - 0 0 57 -2,-0.3 -50,-0.2 1,-0.1 3,-0.1 -0.289 42.3 -92.9 -75.5 173.1 43.5 69.0 27.8 56 58 A K - 0 0 162 -52,-0.4 -50,-1.9 1,-0.1 3,-0.1 -0.549 50.3 -83.8 -87.1 156.1 47.2 68.5 26.5 57 59 A P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -50,-0.2 -0.194 57.1 -86.3 -52.3 149.3 48.2 65.4 24.3 58 60 A a - 0 0 23 1,-0.1 2,-0.8 -3,-0.1 3,-0.4 -0.397 38.7-140.1 -70.9 123.7 49.0 62.1 26.1 59 61 A K S S+ 0 0 119 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.0 -0.768 83.7 70.3 -87.4 103.7 52.7 62.2 27.1 60 62 A S 0 0 110 -2,-0.8 -1,-0.2 1,-0.6 -2,-0.0 -0.306 360.0 360.0-179.1 -64.1 53.9 58.6 26.4 61 63 A R 0 0 134 -3,-0.4 -1,-0.6 0, 0.0 0, 0.0 -0.746 360.0 360.0-104.5 360.0 53.9 58.6 22.5