==== 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 1YPB . 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) . 4264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 40 62.5 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 . 8 12.5 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 1.6 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 . 4 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 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 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 0 167 0, 0.0 2,-0.3 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 110.2 -10.9 6.2 1.9 2 21 I K + 0 0 101 21,-0.1 3,-0.1 1,-0.1 60,-0.0 -0.653 360.0 175.5 -77.2 136.0 -11.1 10.0 1.2 3 22 I T + 0 0 53 -2,-0.3 60,-2.2 1,-0.2 2,-0.3 0.333 53.5 54.8-131.9 10.9 -7.6 11.4 1.7 4 23 I E B -A 62 0A 112 58,-0.2 58,-0.2 0, 0.0 -1,-0.2 -0.989 50.8-165.0-146.3 141.7 -7.8 15.0 0.7 5 24 I W > + 0 0 1 56,-2.5 3,-2.0 -2,-0.3 4,-0.1 -0.549 22.9 158.3-126.7 64.6 -10.0 17.9 1.9 6 25 I P G > + 0 0 69 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.756 69.9 71.0 -56.5 -29.7 -9.6 20.6 -0.8 7 26 I E G 3 S+ 0 0 99 1,-0.3 53,-0.0 -3,-0.1 -2,-0.0 0.582 89.3 63.6 -65.1 -11.8 -13.0 22.1 0.4 8 27 I L G X + 0 0 7 -3,-2.0 3,-2.1 53,-0.1 49,-0.3 0.384 68.2 123.8 -95.8 1.6 -11.2 23.2 3.6 9 28 I V T < S+ 0 0 70 -3,-1.8 49,-0.2 1,-0.3 3,-0.1 -0.509 80.8 19.9 -64.3 130.9 -8.8 25.7 1.9 10 29 I G T 3 S+ 0 0 47 47,-3.0 -1,-0.3 1,-0.3 2,-0.2 0.300 97.7 121.4 92.4 -5.3 -9.4 29.0 3.6 11 30 I K < - 0 0 108 -3,-2.1 46,-3.4 1,-0.1 -1,-0.3 -0.524 66.3-107.9 -88.8 158.4 -11.1 27.7 6.7 12 31 I G B > -B 56 0B 26 44,-0.2 4,-2.0 -2,-0.2 44,-0.2 -0.351 34.2-105.9 -77.5 165.2 -9.8 28.2 10.3 13 32 I V H > S+ 0 0 22 42,-0.8 4,-2.7 2,-0.2 5,-0.2 0.896 117.0 54.7 -60.1 -48.2 -8.2 25.3 12.2 14 33 I A H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.927 112.0 44.9 -53.4 -49.1 -11.2 24.7 14.5 15 34 I A H > S+ 0 0 43 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.881 113.2 49.1 -62.6 -44.8 -13.5 24.3 11.6 16 35 I A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-0.4 0.903 107.9 53.3 -63.1 -46.1 -11.2 22.1 9.5 17 36 I K H X S+ 0 0 80 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.857 103.5 59.1 -57.9 -39.8 -10.5 19.7 12.4 18 37 I K H < S+ 0 0 154 -4,-1.5 4,-0.5 -5,-0.2 -1,-0.2 0.859 111.8 38.6 -58.0 -41.8 -14.2 19.2 12.9 19 38 I V H >X S+ 0 0 59 -4,-1.2 4,-1.6 -3,-0.4 3,-0.9 0.917 115.1 52.7 -76.3 -46.0 -14.7 17.9 9.3 20 39 I I H 3X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.3 3,-0.2 0.900 106.6 53.1 -57.7 -44.3 -11.5 15.9 9.2 21 40 I L H 3< S+ 0 0 70 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.656 103.5 57.2 -68.3 -15.4 -12.3 14.1 12.4 22 41 I Q H <4 S+ 0 0 158 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.883 115.6 37.1 -77.7 -40.1 -15.7 13.0 11.0 23 42 I D H < S+ 0 0 88 -4,-1.6 -2,-0.2 1,-0.2 -21,-0.1 0.829 135.9 19.8 -77.0 -39.2 -14.0 11.4 8.1 24 43 I K >< - 0 0 45 -4,-3.1 3,-2.1 -5,-0.1 -1,-0.2 -0.727 68.9-176.7-135.7 79.9 -10.9 10.0 10.0 25 44 I P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.733 82.8 46.1 -51.6 -30.5 -11.8 9.9 13.7 26 45 I E T 3 S+ 0 0 183 2,-0.1 2,-0.1 0, 0.0 -5,-0.1 0.084 81.9 144.3-106.2 30.6 -8.3 8.7 14.8 27 46 I A < - 0 0 16 -3,-2.1 2,-0.8 -7,-0.1 19,-0.2 -0.404 50.6-134.5 -67.8 141.8 -6.4 11.2 12.7 28 47 I Q E -c 46 0C 92 17,-3.2 19,-2.4 -2,-0.1 2,-0.6 -0.883 29.5-161.6 -94.8 103.9 -3.1 12.6 14.1 29 48 I I E -c 47 0C 27 -2,-0.8 2,-0.4 17,-0.2 19,-0.2 -0.877 11.3-177.9-100.1 122.6 -3.6 16.3 13.2 30 49 I I E -c 48 0C 51 17,-1.5 19,-3.5 -2,-0.6 2,-0.5 -0.914 14.5-147.7-117.5 141.4 -0.6 18.6 13.2 31 50 I V E +c 49 0C 60 -2,-0.4 19,-0.2 17,-0.2 17,-0.1 -0.939 24.3 165.9-113.1 129.3 -0.6 22.4 12.5 32 51 I L E -c 50 0C 43 17,-2.5 19,-2.4 -2,-0.5 2,-0.1 -0.983 43.0 -97.8-142.6 149.1 2.4 24.0 10.8 33 52 I P E > -c 51 0C 72 0, 0.0 3,-1.8 0, 0.0 19,-0.2 -0.425 52.1-102.4 -64.3 137.6 3.1 27.3 9.1 34 53 I V T 3 S+ 0 0 54 17,-2.9 3,-0.1 1,-0.3 19,-0.0 -0.337 110.2 38.6 -59.1 142.3 2.6 27.0 5.3 35 54 I G T 3 S+ 0 0 60 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.264 79.7 144.5 97.2 -10.5 6.1 26.8 3.7 36 55 I T < - 0 0 52 -3,-1.8 2,-0.4 1,-0.1 -1,-0.4 -0.478 55.4-119.6 -63.0 131.7 7.5 24.7 6.5 37 56 I I - 0 0 159 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.617 40.1-178.4 -74.1 124.3 10.0 22.2 5.0 38 57 I V - 0 0 59 -2,-0.4 2,-0.1 1,-0.1 0, 0.0 -0.749 24.6-107.7-120.1 166.9 8.8 18.6 5.7 39 58 I T - 0 0 94 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.360 25.3-116.9 -88.1 172.3 10.2 15.1 5.0 40 59 I M + 0 0 103 -2,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.413 67.6 127.6 -89.8 -1.8 8.9 12.6 2.5 41 60 I E - 0 0 81 23,-0.1 2,-0.6 1,-0.1 -2,-0.1 -0.303 57.0-132.8 -58.2 142.6 7.9 9.9 4.9 42 61 I Y - 0 0 146 22,-0.2 2,-0.5 2,-0.0 -1,-0.1 -0.914 22.8-175.2-103.1 120.8 4.3 8.7 4.4 43 62 I R > - 0 0 91 -2,-0.6 3,-1.4 3,-0.1 21,-0.9 -0.946 11.7-164.2-120.9 104.2 2.3 8.5 7.7 44 63 I I T 3 S+ 0 0 101 -2,-0.5 -1,-0.1 1,-0.3 19,-0.0 0.689 89.5 55.4 -60.7 -21.9 -1.2 7.1 7.0 45 64 I D T 3 S+ 0 0 56 -18,-0.1 -17,-3.2 18,-0.1 2,-0.3 0.633 96.0 89.4 -83.4 -21.4 -2.4 8.3 10.5 46 65 I R E < -c 28 0C 12 -3,-1.4 18,-2.2 -19,-0.2 2,-0.4 -0.616 44.7-179.7 -94.4 145.9 -1.4 11.9 9.9 47 66 I V E -cD 29 63C 0 -19,-2.4 -17,-1.5 -2,-0.3 2,-0.4 -0.928 19.0-154.9-136.4 107.3 -3.1 14.9 8.4 48 67 I R E -c 30 0C 37 14,-0.8 2,-0.6 -2,-0.4 14,-0.5 -0.690 2.2-152.8 -86.1 133.8 -0.9 18.1 8.3 49 68 I L E -c 31 0C 0 -19,-3.5 -17,-2.5 -2,-0.4 2,-0.6 -0.947 6.0-159.7-109.8 112.9 -2.6 21.5 8.3 50 69 I F E -c 32 0C 30 -2,-0.6 8,-3.2 9,-0.3 9,-0.8 -0.835 18.4-169.7 -93.9 116.7 -0.5 24.2 6.6 51 70 I V E -cE 33 57C 10 -19,-2.4 -17,-2.9 -2,-0.6 6,-0.2 -0.829 16.0-135.9-114.8 154.0 -1.8 27.6 7.8 52 71 I D > - 0 0 60 4,-2.5 3,-2.1 -2,-0.3 -1,-0.0 -0.264 46.9 -82.9 -89.4-178.0 -1.2 31.2 6.8 53 72 I K T 3 S+ 0 0 202 1,-0.3 -2,-0.0 2,-0.2 -1,-0.0 0.557 130.1 58.2 -67.6 -8.7 -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 0.265 119.1-113.3 -99.0 6.0 -4.3 34.6 9.6 55 74 I D S < S+ 0 0 96 -3,-2.1 -42,-0.8 1,-0.2 2,-0.3 0.805 73.1 137.1 65.9 33.5 -4.3 31.0 10.9 56 75 I N B -B 12 0B 49 -44,-0.2 -4,-2.5 -43,-0.1 2,-0.3 -0.821 67.9 -91.5-107.5 149.7 -6.4 29.8 7.9 57 76 I I B -E 51 0C 2 -46,-3.4 -47,-3.0 -49,-0.3 -6,-0.3 -0.449 43.2-179.1 -60.6 120.1 -5.8 26.6 5.9 58 77 I A + 0 0 39 -8,-3.2 2,-0.3 -2,-0.3 -7,-0.2 0.531 60.3 33.3-100.6 -13.4 -3.4 27.6 3.1 59 78 I Q S S- 0 0 96 -9,-0.8 -9,-0.3 -51,-0.1 -49,-0.1 -0.950 98.5 -80.1-141.1 157.0 -3.0 24.3 1.2 60 79 I V - 0 0 66 -2,-0.3 2,-0.2 -11,-0.1 -2,-0.0 -0.398 48.7-130.0 -60.1 117.4 -5.1 21.3 0.5 61 80 I P + 0 0 2 0, 0.0 -56,-2.5 0, 0.0 2,-0.3 -0.516 37.6 169.7 -68.1 137.3 -5.0 19.1 3.7 62 81 I R B -A 4 0A 31 -14,-0.5 -14,-0.8 -58,-0.2 -58,-0.2 -0.987 39.0 -95.2-150.8 155.1 -4.2 15.4 2.9 63 82 I V B D 47 0C 14 -60,-2.2 -16,-0.2 -2,-0.3 -19,-0.1 -0.516 360.0 360.0 -68.2 139.0 -3.2 12.1 4.6 64 83 I G 0 0 14 -18,-2.2 -16,-0.3 -21,-0.9 -22,-0.2 -0.669 360.0 360.0 148.6 360.0 0.5 11.6 4.8