==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR(CHYMOTRYPSIN) 10-JAN-93 1YPC . COMPND 2 MOLECULE: CHYMOTRYPSIN INHIBITOR 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR Y.HARPAZ,N.ELMASRY,A.R.FERSHT,K.HENRICK . 64 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 14.1 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 1.6 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 . 6 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 12.5 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 1 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 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 PARALLEL BRIDGES PER LADDER . 3 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 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 20 I M 0 0 165 0, 0.0 2,-0.4 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 112.9 -10.8 6.2 1.8 2 21 I K + 0 0 100 21,-0.1 3,-0.1 1,-0.1 0, 0.0 -0.728 360.0 173.9 -82.3 133.4 -11.1 10.0 1.3 3 22 I T + 0 0 53 -2,-0.4 60,-2.2 1,-0.2 2,-0.3 0.328 53.0 53.7-127.5 6.4 -7.6 11.4 1.7 4 23 I E B -A 62 0A 97 58,-0.2 58,-0.2 0, 0.0 -1,-0.2 -0.985 51.4-163.9-143.6 145.4 -7.8 15.0 0.8 5 24 I W > + 0 0 1 56,-2.5 3,-2.2 -2,-0.3 4,-0.1 -0.598 21.8 159.5-128.3 68.0 -10.0 17.9 1.8 6 25 I P G > S+ 0 0 70 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.784 71.7 70.7 -57.9 -29.4 -9.7 20.7 -0.8 7 26 I E G 3 S+ 0 0 101 1,-0.3 53,-0.0 -3,-0.1 -2,-0.0 0.582 89.1 64.0 -65.1 -11.8 -13.0 22.1 0.4 8 27 I L G X + 0 0 6 -3,-2.2 3,-2.2 53,-0.1 49,-0.3 0.434 68.6 122.9 -93.9 -0.7 -11.2 23.2 3.7 9 28 I V T < S+ 0 0 71 -3,-1.8 49,-0.2 1,-0.3 3,-0.1 -0.468 80.7 19.1 -62.3 131.6 -8.8 25.7 2.0 10 29 I G T 3 S+ 0 0 49 47,-2.7 -1,-0.3 1,-0.3 2,-0.1 0.305 98.6 121.4 91.0 -5.3 -9.4 29.0 3.7 11 30 I K < - 0 0 110 -3,-2.2 46,-3.2 1,-0.1 -1,-0.3 -0.447 67.7-102.0 -86.8 161.7 -11.1 27.7 6.8 12 31 I S B > -E 56 0B 49 44,-0.2 4,-2.4 -2,-0.1 44,-0.2 -0.355 32.1-110.9 -75.0 165.2 -10.0 28.1 10.4 13 32 I V H > S+ 0 0 19 42,-0.8 4,-2.6 1,-0.2 5,-0.2 0.913 119.4 54.6 -62.4 -44.4 -8.1 25.3 12.2 14 33 I A H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 111.5 43.3 -57.6 -46.2 -11.2 24.9 14.4 15 34 I A H > S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.893 113.6 50.9 -66.6 -43.4 -13.5 24.4 11.4 16 35 I A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.895 106.8 53.1 -60.9 -45.9 -11.2 22.1 9.5 17 36 I K H X S+ 0 0 83 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.862 103.1 59.0 -59.4 -40.5 -10.6 19.7 12.4 18 37 I K H < S+ 0 0 152 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.2 0.884 111.7 39.8 -58.0 -41.1 -14.3 19.3 12.8 19 38 I V H >X S+ 0 0 59 -4,-1.2 4,-1.5 -3,-0.3 3,-0.9 0.928 114.9 51.3 -75.0 -46.2 -14.7 18.0 9.3 20 39 I I H 3X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.879 107.0 53.2 -59.1 -44.2 -11.5 15.9 9.2 21 40 I L H 3< S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.609 103.7 57.0 -69.0 -13.6 -12.4 14.1 12.5 22 41 I Q H <4 S+ 0 0 158 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.868 116.3 36.2 -79.6 -39.9 -15.8 13.1 11.1 23 42 I D H < S+ 0 0 90 -4,-1.5 -2,-0.2 1,-0.3 -21,-0.1 0.825 136.4 20.3 -78.2 -37.7 -14.0 11.4 8.2 24 43 I K >< - 0 0 44 -4,-3.0 3,-2.1 -5,-0.1 -1,-0.3 -0.731 68.8-178.0-137.8 80.5 -11.0 10.1 10.1 25 44 I P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.728 82.7 46.6 -53.8 -29.6 -11.8 10.0 13.8 26 45 I E T 3 S+ 0 0 184 2,-0.1 -5,-0.1 0, 0.0 2,-0.0 0.116 82.0 144.3-104.4 25.1 -8.4 8.8 14.8 27 46 I A < - 0 0 16 -3,-2.1 2,-0.8 -7,-0.1 19,-0.2 -0.347 49.9-136.3 -65.4 142.2 -6.4 11.3 12.8 28 47 I Q E -b 46 0A 91 17,-3.0 19,-2.7 -2,-0.0 2,-0.6 -0.909 28.9-162.4 -96.4 104.4 -3.2 12.7 14.1 29 48 I I E -b 47 0A 30 -2,-0.8 2,-0.4 17,-0.2 19,-0.2 -0.901 10.7-177.4-102.2 120.8 -3.6 16.3 13.2 30 49 I I E -b 48 0A 51 17,-1.5 19,-3.4 -2,-0.6 2,-0.5 -0.919 13.9-147.4-116.3 139.5 -0.5 18.6 13.2 31 50 I V E +b 49 0A 60 -2,-0.4 19,-0.2 17,-0.2 17,-0.1 -0.917 23.6 165.4-111.2 131.6 -0.5 22.3 12.5 32 51 I L E -b 50 0A 44 17,-2.5 19,-2.2 -2,-0.5 2,-0.1 -0.987 43.2 -96.6-141.9 149.5 2.4 24.0 10.8 33 52 I P E > -b 51 0A 73 0, 0.0 3,-1.9 0, 0.0 19,-0.2 -0.390 53.7 -99.5 -64.2 139.0 3.0 27.4 9.1 34 53 I V T 3 S+ 0 0 57 17,-3.1 3,-0.1 1,-0.3 19,-0.0 -0.352 111.3 36.5 -58.3 140.7 2.6 27.1 5.3 35 54 I G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.214 79.0 144.5 97.2 -12.4 6.0 26.8 3.6 36 55 I T < - 0 0 55 -3,-1.9 2,-0.4 1,-0.1 -1,-0.3 -0.447 54.7-120.1 -61.3 132.0 7.5 24.7 6.4 37 56 I I - 0 0 158 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.649 39.0-177.6 -76.2 124.9 9.9 22.1 4.9 38 57 I V - 0 0 57 -2,-0.4 2,-0.1 1,-0.1 -3,-0.0 -0.753 25.7-106.1-120.1 166.8 8.8 18.6 5.8 39 58 I T - 0 0 98 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.343 27.7-116.8 -86.1 170.1 10.3 15.2 5.1 40 59 I M + 0 0 106 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.395 66.8 131.0 -88.2 1.2 8.8 12.7 2.5 41 60 I E - 0 0 78 23,-0.1 2,-0.6 1,-0.1 -2,-0.1 -0.292 55.0-133.2 -58.7 139.2 7.9 10.0 5.0 42 61 I Y - 0 0 146 22,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.894 23.4-176.8-100.4 118.1 4.3 8.8 4.5 43 62 I R > - 0 0 89 -2,-0.6 3,-1.4 3,-0.1 21,-0.7 -0.951 12.5-163.9-118.3 105.3 2.3 8.5 7.7 44 63 I I T 3 S+ 0 0 102 -2,-0.6 -1,-0.1 1,-0.3 19,-0.0 0.641 89.1 55.9 -63.7 -18.3 -1.2 7.1 7.1 45 64 I D T 3 S+ 0 0 56 -18,-0.1 -17,-3.0 18,-0.1 2,-0.3 0.623 95.9 88.9 -85.2 -21.0 -2.4 8.3 10.5 46 65 I R E < -b 28 0A 12 -3,-1.4 18,-2.7 -19,-0.2 2,-0.4 -0.642 44.7-179.0 -97.5 146.2 -1.5 11.9 9.9 47 66 I V E -bC 29 63A 0 -19,-2.7 -17,-1.5 -2,-0.3 2,-0.4 -0.949 18.0-155.6-133.9 110.9 -3.1 15.0 8.5 48 67 I R E -bC 30 62A 37 14,-0.8 2,-0.6 -2,-0.4 14,-0.5 -0.739 2.3-153.6 -89.9 135.8 -0.9 18.1 8.4 49 68 I L E -b 31 0A 0 -19,-3.4 -17,-2.5 -2,-0.4 2,-0.6 -0.964 6.1-159.1-110.3 113.9 -2.7 21.5 8.3 50 69 I F E -b 32 0A 29 -2,-0.6 8,-3.2 9,-0.3 9,-0.8 -0.853 18.7-167.8 -94.0 117.4 -0.6 24.2 6.7 51 70 I V E -bD 33 57A 11 -19,-2.2 -17,-3.1 -2,-0.6 6,-0.2 -0.804 15.3-135.5-113.7 156.0 -1.8 27.6 7.8 52 71 I D > - 0 0 61 4,-2.5 3,-1.9 -2,-0.3 -1,-0.1 -0.238 46.7 -83.4 -90.6-176.1 -1.2 31.2 6.8 53 72 I K T 3 S+ 0 0 202 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.567 129.9 58.0 -70.0 -8.2 -0.6 34.2 9.1 54 73 I L T 3 S- 0 0 141 2,-0.2 -1,-0.3 -42,-0.0 3,-0.1 0.310 118.9-113.3 -99.0 2.9 -4.4 34.6 9.6 55 74 I D S < S+ 0 0 95 -3,-1.9 -42,-0.8 1,-0.3 2,-0.3 0.741 73.9 133.8 70.3 27.4 -4.4 31.0 10.9 56 75 I N B -E 12 0B 46 -44,-0.2 -4,-2.5 -43,-0.1 -1,-0.3 -0.751 69.1 -88.3-104.9 154.1 -6.5 29.8 8.0 57 76 I I B +D 51 0A 2 -46,-3.2 -47,-2.7 -49,-0.3 -6,-0.3 -0.423 43.2 179.7 -62.8 123.0 -5.8 26.6 5.9 58 77 I A + 0 0 38 -8,-3.2 2,-0.3 -2,-0.2 -7,-0.2 0.610 61.0 31.9-103.1 -17.3 -3.5 27.6 3.1 59 78 I Q S S- 0 0 96 -9,-0.8 -9,-0.3 -51,-0.1 -1,-0.1 -0.937 98.6 -80.0-137.2 158.9 -3.0 24.4 1.2 60 79 I V - 0 0 55 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.440 48.2-128.0 -61.1 119.0 -5.2 21.3 0.6 61 80 I P + 0 0 1 0, 0.0 -56,-2.5 0, 0.0 2,-0.3 -0.451 38.0 171.5 -67.7 137.8 -5.1 19.1 3.7 62 81 I R E -AC 4 48A 144 -14,-0.5 -14,-0.8 -58,-0.2 -58,-0.2 -0.980 38.4 -96.6-147.3 152.6 -4.2 15.5 2.9 63 82 I V E C 0 47A 6 -60,-2.2 -16,-0.2 -2,-0.3 -19,-0.1 -0.496 360.0 360.0 -67.4 139.0 -3.3 12.2 4.7 64 83 I G 0 0 12 -18,-2.7 -16,-0.2 -21,-0.7 -22,-0.2 -0.728 360.0 360.0 153.8 360.0 0.5 11.7 4.9