==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-07 2EA3 . COMPND 2 MOLECULE: CHYMOTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS BOGORIENSIS; . AUTHOR A.SHAW,R.BOTT . 183 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7725.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 40.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 . 14 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 1 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 . 2 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 PARALLEL BRIDGES PER LADDER . 1 2 5 2 1 2 0 1 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 1 0 0 0 0 1 1 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 F 0 0 111 0, 0.0 66,-3.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 136.5 4.0 18.2 15.6 2 2 A D E -a 67 0A 78 64,-0.2 2,-0.6 66,-0.1 66,-0.2 -0.798 360.0-149.6 -98.0 130.2 4.2 18.7 19.3 3 3 A V E +a 68 0A 0 64,-3.1 66,-1.9 -2,-0.5 2,-0.4 -0.881 25.6 171.0 -97.8 116.8 6.9 21.0 20.8 4 4 A I E > - 0 0 9 -2,-0.6 3,-1.5 64,-0.1 15,-0.3 -0.977 38.4-100.8-129.1 135.1 7.9 19.7 24.2 5 5 A G E 3 S+a 72 0A 1 66,-2.8 68,-3.3 -2,-0.4 15,-0.2 -0.270 104.6 24.5 -54.0 137.4 10.8 21.0 26.3 6 6 A G T 3 S+ 0 0 0 13,-3.0 -1,-0.2 1,-0.3 96,-0.2 0.255 90.5 125.5 93.5 -13.3 14.0 18.9 26.2 7 7 A N < - 0 0 33 -3,-1.5 12,-2.5 91,-0.1 -1,-0.3 -0.474 64.2-106.5 -77.1 151.1 13.3 17.3 22.8 8 8 A A E -C 18 0B 36 10,-0.2 2,-0.3 -2,-0.2 10,-0.2 -0.374 34.2-176.9 -68.2 149.5 15.8 17.5 20.0 9 9 A Y E -C 17 0B 1 8,-1.7 8,-0.7 5,-0.1 2,-0.4 -0.920 20.1-125.6-134.1 167.7 15.3 19.8 17.0 10 10 A T E - D 0 41B 28 31,-2.5 31,-2.2 -2,-0.3 2,-0.4 -0.880 13.7-164.9-118.1 150.3 17.5 20.0 14.0 11 11 A I E > S-CD 14 40B 8 3,-2.3 3,-1.8 -2,-0.4 29,-0.2 -0.980 87.0 -15.1-129.0 119.0 19.2 22.9 12.3 12 12 A G T 3 S- 0 0 79 27,-0.7 -1,-0.1 -2,-0.4 3,-0.1 0.869 130.4 -55.8 52.1 37.2 20.5 22.2 8.7 13 13 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 28,-0.0 -1,-0.3 0.306 113.2 118.6 84.9 -9.0 20.0 18.5 9.6 14 14 A R E < -C 11 0B 142 -3,-1.8 -3,-2.3 1,-0.1 2,-1.9 -0.778 62.6-141.1 -99.5 133.6 22.2 18.6 12.7 15 15 A S E + 0 0 48 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.1 -0.590 48.3 147.0 -90.9 73.6 20.7 17.7 16.1 16 16 A R E + 0 0 99 -2,-1.9 119,-0.7 -7,-0.2 121,-0.3 0.755 57.4 14.5 -81.9 -29.4 22.8 20.4 17.7 17 17 A a E -C 9 0B 1 -8,-0.7 -8,-1.7 -3,-0.3 2,-0.3 -0.864 63.4-121.1-146.1 170.0 20.4 21.5 20.4 18 18 A S E -C 8 0B 0 119,-3.4 12,-0.3 -2,-0.3 -10,-0.2 -0.808 38.6 -95.0-116.1 156.8 17.2 20.8 22.5 19 19 A I - 0 0 1 -12,-2.5 -13,-3.0 -15,-0.3 121,-0.6 -0.522 30.6-166.3 -67.2 136.2 14.0 22.8 23.0 20 20 A G - 0 0 0 8,-2.0 2,-0.3 1,-0.3 120,-0.2 0.901 57.4 -33.0 -85.3 -80.7 14.0 25.1 26.0 21 21 A F E -E 28 0B 3 7,-1.0 7,-2.4 -16,-0.1 -1,-0.3 -0.993 56.4-108.3-146.4 148.7 10.4 26.1 26.6 22 22 A A E +E 27 0B 6 47,-0.5 159,-1.7 -2,-0.3 2,-0.3 -0.586 41.2 172.4 -74.9 135.8 7.3 26.9 24.5 23 23 A V E > -EF 26 180B 0 3,-2.7 3,-2.2 -2,-0.3 157,-0.2 -0.872 49.1 -64.4-133.7 166.6 6.3 30.6 24.4 24 24 A N T 3 S+ 0 0 92 155,-2.5 155,-0.1 -2,-0.3 3,-0.1 -0.377 125.7 12.4 -54.7 123.3 3.7 32.5 22.4 25 25 A G T 3 S- 0 0 39 1,-0.1 37,-2.3 -2,-0.1 2,-0.3 0.312 133.9 -37.4 93.1 -6.4 4.8 32.1 18.8 26 26 A G E < S-EG 23 61B 0 -3,-2.2 -3,-2.7 35,-0.3 2,-0.3 -0.939 79.6 -55.0 160.5-137.1 7.4 29.4 19.2 27 27 A F E -EG 22 60B 0 33,-2.3 33,-3.3 -2,-0.3 2,-0.3 -0.962 31.4-127.5-143.9 157.1 10.1 28.3 21.6 28 28 A I E +EG 21 59B 0 -7,-2.4 -8,-2.0 -2,-0.3 -7,-1.0 -0.805 35.2 151.4-107.7 153.8 13.2 29.5 23.3 29 29 A T E - G 0 58B 0 29,-2.0 29,-2.0 -2,-0.3 2,-0.3 -0.785 50.5 -50.7-161.2-170.5 16.6 27.8 23.3 30 30 A A > - 0 0 0 -12,-0.3 3,-1.4 27,-0.3 4,-0.4 -0.605 38.8-135.0 -86.9 141.5 20.3 28.7 23.5 31 31 A G G > S+ 0 0 4 20,-0.4 3,-0.9 -2,-0.3 21,-0.2 0.782 102.7 65.1 -62.0 -30.2 21.8 31.5 21.2 32 32 A H G 3 S+ 0 0 61 1,-0.2 -1,-0.3 19,-0.2 3,-0.1 0.632 85.9 76.3 -70.6 -9.1 24.8 29.4 20.3 33 33 A a G < S- 0 0 1 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.831 113.1 -33.3 -69.6 -33.2 22.4 26.9 18.6 34 34 A G < - 0 0 11 -3,-0.9 -1,-0.2 -4,-0.4 2,-0.2 -0.976 59.7-101.1-176.8 169.8 22.0 29.2 15.6 35 35 A R > - 0 0 196 -2,-0.3 3,-2.4 1,-0.1 12,-0.3 -0.644 54.5 -72.4-105.0 159.8 21.7 32.7 14.2 36 36 A T T 3 S+ 0 0 86 1,-0.3 12,-0.2 -2,-0.2 -1,-0.1 -0.188 120.7 26.1 -47.4 135.0 18.7 34.8 13.2 37 37 A G T 3 S+ 0 0 48 10,-2.9 -1,-0.3 1,-0.3 11,-0.1 0.146 86.7 131.5 90.6 -16.9 17.2 33.5 10.0 38 38 A A < - 0 0 25 -3,-2.4 9,-2.8 8,-0.1 2,-0.3 -0.369 52.5-132.0 -65.9 146.6 18.5 29.9 10.4 39 39 A T E - H 0 46B 91 7,-0.2 -27,-0.7 -3,-0.1 2,-0.3 -0.796 17.9-158.3-106.2 147.7 15.7 27.4 9.8 40 40 A T E > -DH 11 45B 9 5,-2.4 5,-1.3 -2,-0.3 2,-0.3 -0.776 3.8-153.1-113.3 162.0 14.9 24.4 12.1 41 41 A A E 5 +D 10 0B 37 -31,-2.2 -31,-2.5 -2,-0.3 3,-0.2 -0.930 68.8 57.2-127.5 160.1 13.1 21.1 11.5 42 42 A N T 5S+ 0 0 89 -2,-0.3 -1,-0.2 -33,-0.2 2,-0.1 0.920 131.0 26.1 48.9 58.3 11.2 19.0 14.1 43 43 A P T 5S- 0 0 1 0, 0.0 2,-0.2 0, 0.0 -33,-0.1 0.410 105.2-129.7 -93.5 162.5 9.6 21.5 14.4 44 44 A T T 5 + 0 0 109 -3,-0.2 19,-0.6 20,-0.1 2,-0.3 -0.476 56.2 126.1 -57.7 127.8 9.7 23.6 11.3 45 45 A G E < -HI 40 62B 7 -5,-1.3 -5,-2.4 -2,-0.2 2,-0.4 -0.973 50.5-120.6-171.9 178.3 10.7 27.1 12.4 46 46 A T E -HI 39 61B 62 15,-2.0 15,-2.7 -2,-0.3 -7,-0.2 -0.993 30.7-111.4-139.1 131.8 13.0 30.1 12.0 47 47 A F E + I 0 60B 2 -9,-2.8 -10,-2.9 -2,-0.4 13,-0.3 -0.450 34.0 180.0 -58.2 124.4 15.4 31.7 14.5 48 48 A A E + 0 0 51 11,-3.2 2,-0.2 1,-0.4 12,-0.1 -0.044 66.1 4.6-122.6 31.5 13.9 35.2 15.1 49 49 A G E - 0 0 9 10,-0.3 10,-2.4 -18,-0.0 -1,-0.4 -0.469 63.8-179.3 153.0 129.8 16.5 36.6 17.6 50 50 A S E - I 0 58B 36 8,-0.2 2,-0.5 -2,-0.2 8,-0.3 -0.957 7.8-170.5-152.2 130.6 19.7 35.2 18.9 51 51 A S E + I 0 57B 30 6,-3.3 6,-2.1 -2,-0.3 -20,-0.4 -0.964 20.4 171.3-128.3 110.7 22.2 36.6 21.4 52 52 A F + 0 0 52 -2,-0.5 2,-0.2 4,-0.2 4,-0.1 -0.852 50.9 21.2-168.9 136.6 25.6 34.8 21.8 53 53 A P S S+ 0 0 53 0, 0.0 2,-1.9 0, 0.0 69,-0.2 0.559 123.7 36.9 -75.4-155.2 28.2 35.3 23.2 54 54 A G B S+j 122 0C 25 67,-2.4 69,-2.7 -2,-0.2 2,-0.2 -0.497 136.2 17.8 82.6 -67.9 27.6 37.8 26.0 55 55 A N S S- 0 0 59 -2,-1.9 69,-0.1 67,-0.2 70,-0.0 -0.555 76.5-140.7-109.6-176.0 24.3 36.1 26.5 56 56 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.1 111,-0.2 -0.449 53.8 113.1-147.0 73.2 23.2 32.7 25.3 57 57 A Y E + I 0 51B 32 -6,-2.1 -6,-3.3 -27,-0.3 2,-0.3 -0.978 30.6 174.1-142.4 157.3 19.6 32.8 24.2 58 58 A A E -GI 29 50B 0 -29,-2.0 -29,-2.0 -2,-0.3 2,-0.4 -0.981 20.3-141.1-156.2 158.1 17.4 32.6 21.1 59 59 A F E -G 28 0B 24 -10,-2.4 -11,-3.2 -2,-0.3 2,-0.5 -0.993 12.6-159.2-123.8 131.6 13.8 32.5 20.1 60 60 A V E -GI 27 47B 0 -33,-3.3 -33,-2.3 -2,-0.4 2,-0.4 -0.957 12.9-143.2-113.4 118.4 12.6 30.3 17.3 61 61 A R E -GI 26 46B 148 -15,-2.7 -15,-2.0 -2,-0.5 -35,-0.3 -0.704 18.5-167.3 -81.6 130.2 9.3 31.3 15.7 62 62 A T E - I 0 45B 9 -37,-2.3 -17,-0.2 -2,-0.4 2,-0.1 -0.742 4.8-173.7-111.3 163.2 7.1 28.3 14.7 63 63 A G > + 0 0 33 -19,-0.6 3,-1.1 1,-0.3 -1,-0.1 -0.124 41.6 1.9-130.1-133.4 4.0 28.4 12.5 64 64 A A T 3 S+ 0 0 105 1,-0.2 -1,-0.3 -2,-0.1 -20,-0.1 -0.205 116.8 18.8 -68.6 147.5 1.3 26.1 11.3 65 65 A G T 3 S+ 0 0 60 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.543 93.0 117.7 80.7 6.7 0.9 22.5 12.4 66 66 A V < - 0 0 21 -3,-1.1 2,-0.6 -23,-0.1 -1,-0.2 -0.937 51.7-155.5-112.6 117.6 3.1 23.0 15.4 67 67 A N E -a 2 0A 88 -66,-3.2 -64,-3.1 -2,-0.6 2,-0.7 -0.836 8.0-150.0 -94.8 122.1 1.4 22.5 18.8 68 68 A L E -a 3 0A 43 -2,-0.6 2,-0.3 -66,-0.2 -64,-0.1 -0.840 18.4-166.0 -97.1 115.5 3.2 24.4 21.6 69 69 A L E - 0 0 48 -66,-1.9 2,-1.7 -2,-0.7 -47,-0.5 -0.794 29.6-132.0-110.1 144.9 2.8 22.5 24.9 70 70 A A E S+ 0 0 8 -2,-0.3 12,-2.5 -49,-0.1 2,-0.3 -0.383 76.2 105.4 -86.0 58.0 3.5 23.7 28.4 71 71 A Q E - B 0 81A 47 -2,-1.7 -66,-2.8 -68,-0.3 2,-0.4 -0.953 56.8-150.7-141.3 153.2 5.5 20.5 29.0 72 72 A V E -aB 5 80A 0 8,-1.9 8,-2.6 -2,-0.3 2,-0.4 -0.982 31.0-116.1-122.7 135.9 9.0 19.2 29.4 73 73 A N E - 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