==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAY-08 2VTC . COMPND 2 MOLECULE: CEL61B; . SOURCE 2 ORGANISM_SCIENTIFIC: HYPOCREA JECORINA; . AUTHOR S.KARKEHABADI,H.HANSSON,S.KIM,K.PIENS,C.MITCHINSON, . 456 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 0.2 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 . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 PARALLEL BRIDGES PER LADDER . 7 3 0 2 4 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 2 0 0 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 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 H 0 0 82 0, 0.0 2,-0.2 0, 0.0 44,-0.2 0.000 360.0 360.0 360.0 138.5 20.5 46.5 4.3 2 2 A G - 0 0 8 42,-2.3 2,-0.3 43,-0.2 41,-0.1 -0.864 360.0-133.0 158.6 169.3 21.2 47.2 8.0 3 3 A Q E -A 83 0A 12 80,-2.3 80,-1.8 -2,-0.2 2,-0.7 -0.958 31.4 -97.3-144.6 161.2 20.5 49.8 10.7 4 4 A V E +A 82 0A 5 -2,-0.3 13,-0.3 78,-0.2 78,-0.2 -0.756 42.0 175.4 -79.1 114.6 22.4 51.7 13.4 5 5 A Q E - 0 0 45 76,-2.1 11,-2.1 -2,-0.7 2,-0.3 0.689 62.0 -15.3 -96.2 -22.6 21.6 49.6 16.4 6 6 A N E -AB 81 15A 34 75,-1.0 75,-2.3 9,-0.3 -1,-0.3 -0.942 60.7-158.7-167.4 173.2 23.8 51.5 18.9 7 7 A F E -AB 80 14A 0 7,-2.0 7,-2.1 -2,-0.3 2,-0.4 -0.977 12.9-127.8-160.7 157.8 26.7 54.0 19.1 8 8 A T E -AB 79 13A 39 71,-1.7 71,-2.1 -2,-0.3 2,-0.4 -0.881 6.3-159.6-114.7 146.6 29.4 55.2 21.3 9 9 A I E > S-AB 78 12A 7 3,-1.9 3,-2.6 -2,-0.4 69,-0.2 -0.992 87.1 -19.9-123.1 121.0 30.3 58.7 22.4 10 10 A N T 3 S- 0 0 88 67,-1.9 -1,-0.1 -2,-0.4 68,-0.1 0.891 131.6 -51.2 41.1 45.7 33.9 59.0 23.7 11 11 A G T 3 S+ 0 0 45 66,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.125 109.9 129.2 88.0 -20.1 33.8 55.2 24.1 12 12 A Q E < -B 9 0A 94 -3,-2.6 -3,-1.9 1,-0.1 -1,-0.2 -0.545 59.6-117.7 -81.8 126.9 30.5 55.3 26.2 13 13 A Y E -B 8 0A 129 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.331 30.2-177.9 -66.4 136.0 27.7 53.0 25.0 14 14 A N E -B 7 0A 37 -7,-2.1 -7,-2.0 -2,-0.1 2,-0.3 -0.999 26.3-122.7-133.9 131.3 24.3 54.3 23.9 15 15 A Q E -B 6 0A 62 -2,-0.4 20,-0.9 -9,-0.2 21,-0.6 -0.545 28.3-162.5 -75.3 130.9 21.3 52.2 22.8 16 16 A G - 0 0 0 -11,-2.1 2,-0.4 -2,-0.3 -11,-0.1 -0.440 34.9 -76.1 -98.9-179.6 20.0 52.9 19.3 17 17 A F - 0 0 10 -13,-0.3 2,-0.3 -2,-0.2 20,-0.1 -0.682 51.1-168.5 -79.4 129.1 16.6 51.9 17.7 18 18 A I >> - 0 0 29 -2,-0.4 3,-1.4 18,-0.1 4,-0.7 -0.869 33.7-114.9-117.0 154.8 16.4 48.3 16.8 19 19 A L H >> S+ 0 0 37 -2,-0.3 4,-1.1 1,-0.3 3,-0.8 0.793 110.3 68.5 -56.9 -31.9 13.8 46.4 14.7 20 20 A D H 3> S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.842 93.8 59.1 -54.7 -36.3 12.6 44.4 17.8 21 21 A Y H <> S+ 0 0 24 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.799 97.6 58.5 -64.8 -33.1 11.2 47.6 19.2 22 22 A Y H S+ 0 0 79 -4,-2.3 4,-3.0 1,-0.2 5,-0.6 0.936 108.5 48.9 -49.8 -50.2 7.2 45.5 20.7 25 25 A K H X5S+ 0 0 81 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.886 109.5 50.6 -63.4 -40.2 5.1 48.5 19.7 26 26 A Q H <5S+ 0 0 109 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.896 118.5 39.5 -61.0 -39.8 2.8 46.5 17.5 27 27 A N H <5S+ 0 0 134 -4,-2.3 -2,-0.2 3,-0.1 -1,-0.2 0.850 136.5 11.0 -79.7 -39.1 2.2 44.0 20.3 28 28 A T H <5S- 0 0 90 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.565 91.8-117.5-122.4 -17.6 2.0 46.2 23.3 29 29 A G S < - 0 0 30 20,-0.2 3,-1.6 1,-0.1 -2,-0.0 -0.805 44.9-164.9 -86.4 102.6 11.4 49.8 7.2 42 42 A L T 3 S+ 0 0 57 -2,-1.0 -1,-0.1 1,-0.3 -2,-0.0 0.532 82.1 46.5 -75.7 -2.6 11.0 46.2 8.4 43 43 A D T 3 S- 0 0 120 -41,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.376 112.7-110.7-112.2 -5.2 13.9 44.8 6.3 44 44 A L S < S+ 0 0 22 -3,-1.6 -42,-2.3 -43,-0.1 -2,-0.1 0.847 71.0 153.1 66.5 37.6 16.4 47.5 7.2 45 45 A G - 0 0 3 -44,-0.2 2,-0.2 1,-0.1 -43,-0.2 0.357 34.6 -93.8 -79.2-153.0 16.1 48.6 3.6 46 46 A F - 0 0 61 130,-0.1 2,-0.4 -45,-0.1 130,-0.2 -0.732 13.9-115.2-134.3 167.1 16.6 51.9 1.8 47 47 A I B -E 175 0B 3 128,-2.7 128,-2.6 -2,-0.2 5,-0.0 -0.913 38.1-142.6-104.8 135.9 15.0 55.2 0.4 48 48 A S > - 0 0 15 -2,-0.4 3,-2.7 126,-0.2 126,-0.1 -0.542 25.4-103.6-102.1 160.6 15.2 55.6 -3.4 49 49 A P G > S+ 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.811 119.7 64.8 -51.3 -31.3 15.9 58.6 -5.6 50 50 A D G 3 S+ 0 0 107 1,-0.3 3,-0.1 121,-0.1 153,-0.0 0.510 104.0 49.5 -70.5 -2.7 12.1 58.8 -6.4 51 51 A Q G X S+ 0 0 49 -3,-2.7 3,-1.8 1,-0.1 6,-0.4 0.217 75.5 108.5-113.7 9.4 11.7 59.5 -2.7 52 52 A Y T < S+ 0 0 2 -3,-1.8 150,-0.3 1,-0.3 149,-0.3 0.648 83.6 44.4 -65.3 -16.0 14.3 62.3 -2.5 53 53 A T T 3 S+ 0 0 114 -4,-0.2 -1,-0.3 -3,-0.1 146,-0.1 0.273 99.9 93.0-106.5 9.8 11.6 65.0 -2.1 54 54 A T S X S- 0 0 42 -3,-1.8 3,-1.8 144,-0.1 4,-0.4 -0.612 87.7-109.3-104.1 157.7 9.5 63.1 0.5 55 55 A P T >> S+ 0 0 64 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.782 111.0 73.0 -53.8 -26.9 9.4 63.0 4.3 56 56 A D H 3> S+ 0 0 21 1,-0.3 4,-1.4 2,-0.2 -4,-0.1 0.739 86.5 63.5 -63.1 -23.4 11.0 59.5 4.3 57 57 A I H <4 S+ 0 0 0 -3,-1.8 -1,-0.3 -6,-0.4 4,-0.1 0.705 90.6 69.3 -73.3 -17.8 14.4 61.0 3.2 58 58 A V H <4 S- 0 0 5 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.989 131.2 -17.4 -64.3 -59.8 14.7 63.0 6.4 59 59 A a H < S- 0 0 1 -4,-0.6 120,-0.4 1,-0.5 -2,-0.2 0.034 108.0 -89.9-139.0 24.7 15.2 60.1 8.9 60 60 A H S >< S- 0 0 6 -4,-1.4 3,-1.7 -5,-0.2 -1,-0.5 -0.273 81.5 -1.7 86.0-175.3 14.0 57.0 6.9 61 61 A K T 3 S- 0 0 75 1,-0.3 -21,-2.8 -3,-0.1 -20,-0.2 -0.203 126.7 -28.6 -61.8 121.2 10.6 55.4 6.6 62 62 A N T 3 S- 0 0 76 -23,-0.2 -1,-0.3 1,-0.2 -6,-0.1 0.804 93.6-175.0 52.0 32.9 7.7 56.9 8.7 63 63 A A < - 0 0 8 -3,-1.7 -24,-0.2 -8,-0.1 -1,-0.2 -0.262 16.7-172.3 -71.2 150.2 10.4 58.0 11.1 64 64 A A B -K 38 0C 39 -26,-1.9 -26,-1.8 -5,-0.1 3,-0.1 -0.982 34.4 -89.3-137.4 146.3 9.7 59.7 14.5 65 65 A P - 0 0 33 0, 0.0 -29,-0.1 0, 0.0 41,-0.1 -0.159 47.5-100.3 -55.9 144.5 12.1 61.3 17.0 66 66 A G - 0 0 4 -31,-0.5 -31,-0.2 1,-0.1 -29,-0.1 -0.341 30.3-121.4 -57.8 150.2 13.6 59.1 19.7 67 67 A A S S+ 0 0 52 -33,-0.5 2,-0.3 -31,-0.2 -32,-0.2 0.604 92.7 26.6 -78.0 -13.3 11.8 59.6 23.1 68 68 A I S S- 0 0 79 -34,-1.3 2,-0.4 -32,-0.1 113,-0.3 -0.830 78.0-123.3-135.0 175.4 15.1 60.7 24.8 69 69 A S - 0 0 49 -2,-0.3 113,-0.2 111,-0.1 2,-0.1 -0.968 9.3-142.1-123.8 142.3 18.4 62.3 23.8 70 70 A A E -f 182 0B 9 111,-2.5 113,-2.6 -2,-0.4 2,-0.3 -0.253 25.3-139.8 -78.2 179.6 22.0 61.2 24.2 71 71 A T E +f 183 0B 83 111,-0.2 2,-0.3 -2,-0.1 113,-0.2 -0.997 22.3 170.6-150.7 150.6 24.6 63.9 25.0 72 72 A A E -f 184 0B 5 111,-1.9 113,-2.1 -2,-0.3 2,-0.2 -0.990 33.3-111.9-159.8 141.2 28.2 64.7 24.0 73 73 A A E > -f 185 0B 42 -2,-0.3 3,-2.2 111,-0.2 113,-0.2 -0.566 50.1 -95.0 -72.6 142.5 30.8 67.5 24.4 74 74 A A T 3 S+ 0 0 19 111,-2.4 74,-0.2 1,-0.3 113,-0.2 -0.352 116.4 36.0 -55.0 139.1 31.7 69.3 21.2 75 75 A G T 3 S+ 0 0 18 71,-1.4 -1,-0.3 1,-0.3 73,-0.2 0.255 89.2 134.2 92.5 -9.0 34.8 67.7 19.7 76 76 A S < - 0 0 5 -3,-2.2 70,-3.1 71,-0.2 2,-0.5 -0.316 55.3-122.8 -67.5 153.6 33.6 64.2 20.8 77 77 A N E - C 0 145A 60 68,-0.2 -67,-1.9 -3,-0.1 2,-0.4 -0.879 18.3-157.5 -98.4 129.4 33.8 61.2 18.5 78 78 A I E -AC 9 144A 0 66,-3.1 66,-3.0 -2,-0.5 2,-0.5 -0.866 2.6-159.8 -96.0 140.0 30.6 59.3 17.7 79 79 A V E -AC 8 143A 29 -71,-2.1 -71,-1.7 -2,-0.4 2,-0.4 -0.949 8.3-152.6-121.6 107.9 31.0 55.7 16.5 80 80 A F E -AC 7 142A 0 62,-2.6 62,-2.0 -2,-0.5 2,-0.7 -0.679 6.5-152.6 -80.5 128.5 28.0 54.5 14.7 81 81 A Q E -AC 6 141A 43 -75,-2.3 -76,-2.1 -2,-0.4 -75,-1.0 -0.907 9.3-159.6-106.7 111.7 27.6 50.7 14.9 82 82 A W E +A 4 0A 3 58,-3.2 -78,-0.2 -2,-0.7 5,-0.1 -0.567 34.5 12.0 -87.8 153.5 25.7 49.1 12.0 83 83 A G E -A 3 0A 5 -80,-1.8 -80,-2.3 -2,-0.2 3,-0.1 -0.975 40.6-134.9 176.3-169.1 24.1 45.7 12.3 84 84 A P S S+ 0 0 103 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.969 108.6 25.7 -78.0 -21.3 23.0 43.1 13.2 85 85 A G S S- 0 0 47 1,-0.1 2,-0.0 -84,-0.1 0, 0.0 -0.476 101.8 -73.0 -96.6 169.6 24.8 41.5 10.2 86 86 A V - 0 0 113 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.1 -0.352 62.3 -96.2 -56.4 134.7 28.0 42.4 8.3 87 87 A W - 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