==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-11 3VHP . COMPND 2 MOLECULE: ENDO-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR Y.-S.CHENG,T.-P.KO,R.-T.GUO,J.-R.LIU . 514 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 233 45.3 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 . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 50 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 4.1 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+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 1 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 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 PARALLEL BRIDGES PER LADDER . 7 6 6 0 2 0 7 2 2 1 2 2 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 M 0 0 77 0, 0.0 2,-0.4 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 119.6 0.7 -15.9 21.9 2 2 A V E +A 39 0A 18 37,-2.0 37,-2.4 8,-0.1 2,-0.4 -0.978 360.0 178.1-127.4 137.6 2.9 -13.1 20.6 3 3 A L E +A 38 0A 12 -2,-0.4 2,-0.4 35,-0.2 35,-0.2 -0.983 1.2 175.7-141.0 127.4 3.5 -9.8 22.3 4 4 A M E +A 37 0A 17 33,-2.2 33,-3.0 -2,-0.4 4,-0.1 -0.996 14.1 176.6-132.0 139.0 5.8 -7.0 21.1 5 5 A T S S+ 0 0 19 -2,-0.4 30,-0.4 31,-0.2 -1,-0.1 0.091 72.2 38.2-127.1 17.3 6.2 -3.6 22.6 6 6 A K S S- 0 0 149 28,-0.1 17,-0.2 31,-0.1 31,-0.1 -0.959 105.6 -62.2-153.4 167.9 9.0 -2.2 20.3 7 7 A P S S+ 0 0 64 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.171 81.5 100.0 -55.5 144.1 9.7 -2.5 16.6 8 8 A G E -B 23 0A 30 15,-0.6 15,-2.1 -4,-0.1 2,-0.3 -0.944 61.1 -98.8 163.2-179.0 10.4 -6.0 15.4 9 9 A T E +B 22 0A 46 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.977 28.3 176.1-131.9 143.4 9.0 -9.1 13.7 10 10 A S E -B 21 0A 37 11,-2.3 11,-3.0 -2,-0.3 2,-0.2 -0.996 21.8-132.8-144.6 143.0 7.5 -12.3 15.1 11 11 A D E +B 20 0A 69 -2,-0.3 2,-0.3 9,-0.2 9,-0.3 -0.529 29.3 163.4 -92.6 161.8 5.9 -15.3 13.4 12 12 A F E -B 19 0A 15 7,-2.5 7,-2.8 -2,-0.2 2,-0.4 -0.930 32.1-122.1-160.6 178.8 2.7 -17.0 14.5 13 13 A V E -B 18 0A 91 -2,-0.3 2,-0.5 5,-0.2 28,-0.0 -0.998 19.2-167.5-137.2 130.4 0.1 -19.4 13.2 14 14 A W E > S-B 17 0A 3 3,-2.6 3,-2.1 -2,-0.4 28,-0.1 -0.967 76.7 -24.1-127.3 112.6 -3.6 -18.4 13.0 15 15 A N T 3 S- 0 0 115 -2,-0.5 -1,-0.1 26,-0.3 27,-0.0 0.901 130.2 -47.7 49.9 44.6 -6.1 -21.2 12.3 16 16 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.308 112.1 123.3 84.0 -6.9 -3.2 -23.1 10.7 17 17 A I E < -B 14 0A 28 -3,-2.1 -3,-2.6 67,-0.0 2,-0.4 -0.778 59.4-134.0 -94.4 123.7 -2.0 -20.2 8.5 18 18 A P E +B 13 0A 27 0, 0.0 54,-0.3 0, 0.0 2,-0.3 -0.645 39.1 163.3 -78.2 127.0 1.7 -19.3 9.0 19 19 A L E -B 12 0A 1 -7,-2.8 -7,-2.5 -2,-0.4 2,-0.4 -0.859 32.3-136.5-139.9 168.9 2.0 -15.6 9.4 20 20 A S E -BC 11 70A 1 50,-2.1 50,-3.0 -2,-0.3 2,-0.4 -0.980 11.6-156.5-130.1 139.8 4.4 -12.8 10.5 21 21 A M E -BC 10 69A 0 -11,-3.0 -11,-2.3 -2,-0.4 2,-0.4 -0.953 8.7-166.6-115.4 138.3 3.5 -9.7 12.5 22 22 A E E -BC 9 68A 13 46,-2.9 2,-2.5 -2,-0.4 46,-2.2 -0.956 22.5-151.7-130.8 118.9 5.7 -6.6 12.3 23 23 A L E -B 8 0A 0 -15,-2.1 2,-0.7 -2,-0.4 -15,-0.6 -0.595 38.8-169.5 -82.7 77.2 5.5 -3.7 14.8 24 24 A N + 0 0 6 -2,-2.5 42,-2.7 42,-0.3 3,-0.1 -0.672 34.4 152.8 -82.4 103.1 6.7 -1.6 11.8 25 25 A L > + 0 0 10 -2,-0.7 3,-1.9 40,-0.2 40,-0.1 -0.330 20.8 152.1-118.8 48.3 7.8 2.0 12.6 26 26 A W T 3 + 0 0 111 1,-0.3 39,-0.2 30,-0.0 -1,-0.1 0.770 67.9 41.2 -55.6 -33.5 10.2 2.1 9.7 27 27 A N T 3 S+ 0 0 0 37,-1.9 29,-1.9 -3,-0.1 2,-0.6 0.124 87.8 106.3-106.8 27.8 10.2 5.9 9.1 28 28 A I B < -S 55 0B 10 -3,-1.9 3,-0.1 27,-0.2 -3,-0.1 -0.905 50.7-163.1-108.3 119.2 10.2 7.1 12.7 29 29 A K S S- 0 0 130 25,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.922 72.0 -26.3 -63.7 -46.8 13.4 8.6 13.8 30 30 A E - 0 0 89 24,-0.4 24,-0.4 22,-0.2 2,-0.3 -0.970 63.1-165.8-162.1 159.5 12.6 8.3 17.5 31 31 A Y - 0 0 73 -2,-0.3 2,-0.3 22,-0.1 21,-0.2 -0.991 12.6-148.7-151.5 156.7 9.5 8.2 19.7 32 32 A S E + D 0 51A 47 19,-2.4 19,-2.2 -2,-0.3 2,-0.2 -0.799 65.4 40.9-113.8 164.4 8.3 8.6 23.3 33 33 A G E S- D 0 50A 42 -2,-0.3 2,-0.3 17,-0.2 17,-0.3 -0.637 88.1 -54.2 100.3-157.9 5.3 6.7 24.6 34 34 A S E - D 0 49A 15 15,-2.1 15,-2.5 -2,-0.2 2,-0.3 -0.945 30.0-177.6-135.3 151.1 4.1 3.2 24.0 35 35 A V E - D 0 48A 0 -30,-0.4 2,-0.3 -2,-0.3 13,-0.2 -0.971 11.1-179.7-139.0 142.1 3.2 0.7 21.3 36 36 A A E - D 0 47A 7 11,-2.0 11,-1.9 -2,-0.3 2,-0.4 -0.944 4.8-175.7-147.8 126.9 1.9 -2.8 21.9 37 37 A M E +AD 4 46A 0 -33,-3.0 -33,-2.2 -2,-0.3 2,-0.3 -0.989 12.9 179.9-125.2 133.6 1.0 -5.5 19.3 38 38 A K E -AD 3 45A 33 7,-2.8 7,-2.9 -2,-0.4 2,-0.4 -0.984 23.5-165.5-140.3 145.0 -0.5 -8.8 20.3 39 39 A F E +AD 2 44A 6 -37,-2.4 -37,-2.0 -2,-0.3 5,-0.2 -0.998 9.3 176.5-121.5 128.8 -1.7 -12.1 18.8 40 40 A D - 0 0 68 3,-1.8 4,-0.1 -2,-0.4 -1,-0.1 0.156 60.9 -90.9-117.1 16.4 -3.8 -14.3 21.2 41 41 A G S S+ 0 0 22 2,-0.3 -26,-0.3 1,-0.1 3,-0.1 -0.028 122.4 44.9 99.6 -28.8 -4.8 -17.1 18.8 42 42 A E S S+ 0 0 128 1,-0.3 207,-0.5 -28,-0.1 2,-0.3 0.619 117.3 16.0-120.9 -24.9 -8.0 -15.4 17.8 43 43 A K E - E 0 248A 41 205,-0.1 -3,-1.8 206,-0.1 2,-0.5 -0.989 57.3-137.6-149.4 156.5 -7.2 -11.8 17.1 44 44 A I E -DE 39 247A 0 203,-2.1 203,-2.6 -2,-0.3 2,-0.3 -0.969 28.2-172.7-114.5 132.8 -4.3 -9.4 16.5 45 45 A T E -DE 38 246A 12 -7,-2.9 -7,-2.8 -2,-0.5 2,-0.4 -0.935 9.6-171.0-127.7 151.3 -4.5 -6.1 18.2 46 46 A F E +DE 37 245A 0 199,-2.3 199,-2.6 -2,-0.3 2,-0.4 -0.997 3.9 179.6-141.6 138.8 -2.3 -3.0 18.1 47 47 A D E -DE 36 244A 13 -11,-1.9 -11,-2.0 -2,-0.4 2,-0.4 -0.996 2.9-176.7-141.3 132.9 -2.3 0.1 20.2 48 48 A A E +DE 35 243A 6 195,-2.9 195,-1.7 -2,-0.4 -13,-0.2 -0.992 18.5 166.3-131.2 142.5 -0.2 3.2 20.0 49 49 A D E +DE 34 242A 50 -15,-2.5 -15,-2.1 -2,-0.4 2,-0.3 -0.664 35.3 151.1-149.9 82.0 0.1 6.3 22.2 50 50 A I E +DE 33 241A 0 191,-2.4 191,-2.7 -17,-0.3 -17,-0.2 -0.854 19.6 176.4-122.2 155.9 3.4 7.9 21.0 51 51 A Q E +D 32 0A 70 -19,-2.2 -19,-2.4 -2,-0.3 189,-0.2 -0.781 53.0 61.5-141.8-175.1 4.9 11.3 20.7 52 52 A N S S+ 0 0 101 187,-0.3 2,-0.2 -2,-0.2 -22,-0.2 0.831 73.4 169.5 58.3 35.3 8.0 13.3 19.8 53 53 A L + 0 0 11 186,-2.8 -1,-0.2 -3,-0.1 -22,-0.1 -0.536 13.5 158.1 -80.9 143.2 7.7 11.9 16.3 54 54 A S - 0 0 38 -24,-0.4 -25,-2.6 -2,-0.2 -24,-0.4 -0.960 44.9 -88.6-156.1 152.8 9.7 13.0 13.2 55 55 A P B -S 28 0B 21 0, 0.0 -27,-0.2 0, 0.0 9,-0.1 -0.386 18.3-150.4 -66.7 137.7 10.5 11.3 9.8 56 56 A K S S+ 0 0 131 -29,-1.9 -28,-0.1 1,-0.3 -29,-0.1 0.964 102.4 28.7 -69.5 -53.0 13.6 9.2 9.5 57 57 A E S > S+ 0 0 69 -30,-0.2 3,-1.0 1,-0.2 -1,-0.3 -0.829 79.3 177.0-110.7 88.6 13.9 10.1 5.8 58 58 A P G > + 0 0 77 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.858 69.8 61.7 -58.0 -45.3 12.3 13.6 5.8 59 59 A E G 3 S+ 0 0 188 1,-0.3 -2,-0.0 -4,-0.1 0, 0.0 0.567 97.0 59.1 -66.2 -9.9 12.8 14.5 2.1 60 60 A R G < S- 0 0 186 -3,-1.0 -1,-0.3 1,-0.2 -3,-0.0 0.604 90.1-164.3 -92.4 -11.0 10.7 11.5 0.9 61 61AA G < + 0 0 23 -3,-1.7 -1,-0.2 -4,-0.3 -4,-0.1 -0.193 39.9 96.6 59.4-155.2 7.7 12.8 2.8 62 61 A G S S- 0 0 48 85,-0.1 -1,-0.1 -7,-0.0 -2,-0.1 -0.130 74.8 -10.1 73.3-168.5 4.8 10.4 3.3 63 62 A V - 0 0 13 172,-0.1 171,-0.2 1,-0.1 172,-0.2 -0.062 42.0-142.2 -73.1 166.6 4.0 8.2 6.3 64 63 A L S S- 0 0 0 169,-2.5 -37,-1.9 1,-0.2 2,-0.3 0.768 72.2 -10.2 -94.9 -36.3 5.9 7.3 9.4 65 64 A G B -F 233 0A 0 168,-1.3 168,-1.6 -39,-0.2 -40,-0.2 -0.963 41.4-147.3-159.2 176.7 5.0 3.7 10.0 66 65 A Y - 0 0 4 -42,-2.7 -42,-0.3 -2,-0.3 166,-0.2 -0.442 12.8-162.3-154.5 67.7 2.9 0.7 9.1 67 66 A P + 0 0 0 0, 0.0 164,-1.9 0, 0.0 2,-0.3 -0.393 40.6 141.8 -55.7 129.0 2.1 -1.8 12.0 68 67 A E E -CG 22 230A 0 -46,-2.2 -46,-2.9 162,-0.2 2,-0.3 -0.905 46.8-135.9-158.0 176.5 1.0 -4.9 10.1 69 68 A F E -CG 21 229A 0 160,-2.0 160,-2.7 -48,-0.3 2,-0.3 -0.938 27.9-172.7-141.7 158.6 1.0 -8.6 9.7 70 69 A Y E -CG 20 228A 1 -50,-3.0 -50,-2.1 -2,-0.3 2,-0.5 -0.995 26.6-134.9-156.3 162.2 1.5 -10.6 6.5 71 70 A Y E S+ G 0 227A 14 156,-1.9 156,-1.8 -2,-0.3 2,-0.3 -0.969 75.7 11.3-116.7 129.3 1.5 -13.9 4.7 72 71 A G E S- G 0 226A 2 -2,-0.5 2,-0.6 -54,-0.3 9,-0.5 -0.673 103.9 -25.6 110.2-162.2 4.5 -14.6 2.5 73 72 A Y - 0 0 4 152,-2.5 7,-0.2 -2,-0.3 -2,-0.1 -0.847 43.6-156.8-102.3 114.9 7.9 -13.1 2.0 74 73 A K B >>> -T 79 0C 11 5,-2.4 5,-1.4 -2,-0.6 3,-1.2 -0.799 10.1-155.4 -91.9 112.3 8.5 -9.4 2.8 75 74 A P G >45S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.899 86.5 59.6 -52.2 -49.7 11.5 -8.5 0.7 76 75 A W G 345S+ 0 0 88 1,-0.3 51,-0.1 2,-0.1 -2,-0.0 0.755 116.3 34.4 -54.1 -28.0 12.7 -5.5 2.8 77 76 A E G <45S- 0 0 96 -3,-1.2 -1,-0.3 2,-0.2 3,-0.1 0.393 98.5-130.4-109.8 4.2 13.1 -7.8 5.8 78 77 A N T <<5 + 0 0 105 -3,-1.7 2,-0.4 -4,-0.6 -2,-0.1 0.927 65.5 138.1 44.3 51.9 14.3 -11.1 4.1 79 78 A H B < +T 74 0C 47 -5,-1.4 -5,-2.4 -59,-0.0 2,-0.3 -0.981 29.2 154.5-140.4 137.6 11.6 -12.7 6.1 80 79 A T - 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