==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-APR-13 4K7G . COMPND 2 MOLECULE: 3-HYDROXYPROLINE DEHYDRATSE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM VITIS S4; . AUTHOR M.W.VETTING,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WA . 690 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 207 30.0 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 61 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 2 0 0 0 2 0 3 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 2 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 PARALLEL BRIDGES PER LADDER . 8 4 4 7 4 0 2 5 2 1 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 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 1 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 5 B K 0 0 172 0, 0.0 2,-0.4 0, 0.0 318,-0.1 0.000 360.0 360.0 360.0 -20.7 16.3 38.6 75.0 2 6 B V - 0 0 35 316,-0.1 2,-0.5 339,-0.1 316,-0.2 -0.715 360.0-147.4 -86.1 126.5 13.6 37.9 72.3 3 7 B I E -A 317 0A 14 314,-2.4 314,-2.6 -2,-0.4 2,-0.6 -0.856 7.7-145.8 -96.7 123.7 13.0 40.9 70.0 4 8 B H E -AB 316 20A 34 16,-2.5 15,-2.3 -2,-0.5 16,-1.3 -0.817 22.9-179.4 -93.4 125.8 9.4 41.2 68.7 5 9 B V E -AB 315 18A 5 310,-2.7 310,-2.8 -2,-0.6 2,-0.6 -0.958 24.3-153.7-128.1 135.3 9.1 42.5 65.2 6 10 B I E -AB 314 17A 1 11,-2.7 11,-2.8 -2,-0.4 2,-0.4 -0.958 25.3-139.0-101.5 122.8 6.2 43.3 62.9 7 11 B G E +A 313 0A 5 306,-2.6 305,-2.3 -2,-0.6 306,-1.0 -0.687 33.6 162.5 -81.6 136.5 7.3 43.0 59.3 8 12 B V E -A 311 0A 0 -2,-0.4 7,-2.8 303,-0.3 2,-0.3 -0.984 25.0-161.6-147.3 151.8 6.0 45.7 57.0 9 13 B H E -AC 310 14A 1 301,-2.0 301,-2.4 -2,-0.3 2,-0.6 -0.991 11.3-149.5-132.4 145.7 6.6 47.3 53.7 10 14 B A E > S-AC 309 13A 0 3,-2.6 3,-2.2 -2,-0.3 299,-0.3 -0.957 82.9 -26.1-112.7 112.3 5.4 50.7 52.5 11 15 B E T 3 S- 0 0 9 297,-1.5 272,-0.2 -2,-0.6 -1,-0.1 0.852 132.4 -44.0 51.6 39.6 4.8 50.8 48.7 12 16 B G T 3 S+ 0 0 0 1,-0.2 2,-0.6 238,-0.1 -1,-0.3 0.125 113.9 114.7 97.2 -19.9 7.4 48.1 48.4 13 17 B E E < -C 10 0A 1 -3,-2.2 -3,-2.6 236,-0.1 -1,-0.2 -0.767 66.6-122.8 -95.6 121.1 10.1 49.4 50.8 14 18 B V E +C 9 0A 2 -2,-0.6 -5,-0.3 42,-0.4 75,-0.1 -0.290 36.1 165.9 -61.2 137.1 10.7 47.3 53.8 15 19 B G - 0 0 0 -7,-2.8 44,-0.2 42,-0.1 -6,-0.1 -0.522 15.4-169.4-149.9 73.2 10.3 49.0 57.2 16 20 B D E - d 0 59A 11 42,-2.0 44,-2.9 -9,-0.1 2,-0.5 -0.313 12.4-142.9 -63.0 153.2 10.1 46.4 59.9 17 21 B V E -Bd 6 60A 0 -11,-2.8 -11,-2.7 42,-0.2 2,-0.7 -0.967 4.8-142.3-129.3 120.7 9.1 47.6 63.4 18 22 B I E +Bd 5 61A 3 42,-3.5 44,-1.6 -2,-0.5 -13,-0.2 -0.732 26.0 169.2 -81.3 117.2 10.4 46.5 66.7 19 23 B V E + 0 0 40 -15,-2.3 2,-0.3 -2,-0.7 -14,-0.2 0.460 58.5 9.6-109.3 -5.9 7.5 46.4 69.1 20 24 B G E S+B 4 0A 22 -16,-1.3 -16,-2.5 3,-0.0 -1,-0.2 -0.989 96.9 47.9-168.0 157.2 9.0 44.6 72.1 21 25 B G S S+ 0 0 58 -2,-0.3 2,-0.5 -18,-0.2 -18,-0.0 0.368 85.7 92.5 95.1 -3.6 12.1 43.2 73.7 22 26 B V - 0 0 40 -18,-0.1 -1,-0.1 40,-0.1 40,-0.0 -0.963 64.1-143.4-130.3 117.8 14.3 46.3 73.3 23 27 B S - 0 0 101 -2,-0.5 -3,-0.0 1,-0.1 40,-0.0 -0.406 36.4 -93.1 -73.0 149.8 14.7 49.0 75.9 24 28 B P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.347 44.9-109.8 -62.1 146.9 15.1 52.6 74.7 25 29 B P - 0 0 11 0, 0.0 8,-0.1 0, 0.0 9,-0.1 -0.332 39.0 -92.3 -71.5 160.2 18.7 53.8 74.4 26 30 B P S S+ 0 0 84 0, 0.0 10,-0.2 0, 0.0 2,-0.2 -0.374 73.1 104.4 -65.6 149.7 20.1 56.4 76.8 27 31 B G - 0 0 20 -3,-0.1 3,-0.0 1,-0.1 6,-0.0 -0.516 65.1-123.1 148.5 152.5 19.9 60.0 75.7 28 32 B D S S+ 0 0 135 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.539 97.4 37.4 -99.3 -4.9 17.9 63.1 76.5 29 33 B T S > S- 0 0 65 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.951 85.6-116.0-131.8 161.3 16.7 63.7 73.0 30 34 B L H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.886 118.5 57.5 -62.6 -33.3 15.6 61.2 70.4 31 35 B W H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.951 105.7 49.0 -60.7 -45.4 18.6 62.5 68.3 32 36 B E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.922 110.8 51.1 -60.1 -40.8 20.9 61.5 71.2 33 37 B Q H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.897 109.4 49.5 -62.7 -39.7 19.3 58.1 71.4 34 38 B S H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.875 107.6 55.0 -68.4 -34.0 19.7 57.6 67.6 35 39 B R H X S+ 0 0 67 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.889 106.7 51.2 -64.7 -37.9 23.4 58.6 68.0 36 40 B F H X S+ 0 0 77 -4,-2.0 4,-3.2 -10,-0.2 5,-0.4 0.948 110.1 49.1 -61.9 -47.9 23.8 55.9 70.6 37 41 B I H X S+ 0 0 11 -4,-2.1 4,-1.9 1,-0.2 7,-0.3 0.930 113.4 47.6 -54.2 -44.5 22.2 53.3 68.2 38 42 B A H < S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 119.6 36.6 -68.0 -38.5 24.6 54.5 65.4 39 43 B S H < S+ 0 0 92 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.877 118.5 47.5 -87.0 -36.2 27.8 54.4 67.5 40 44 B D H < S- 0 0 72 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.879 78.8-175.5 -71.1 -41.1 27.0 51.3 69.6 41 45 B E X + 0 0 94 -4,-1.9 4,-2.9 -5,-0.4 5,-0.3 0.230 44.2 114.3 69.0 -10.3 25.9 49.2 66.6 42 46 B T H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.943 82.4 36.5 -60.4 -52.2 24.8 46.2 68.5 43 47 B L H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.937 117.0 53.9 -64.2 -47.8 21.1 46.4 67.7 44 48 B R H > S+ 0 0 21 -7,-0.3 4,-2.6 1,-0.2 5,-0.4 0.938 111.9 43.6 -52.4 -51.8 21.7 47.6 64.1 45 49 B N H X S+ 0 0 32 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.917 112.8 52.4 -63.7 -42.2 24.1 44.7 63.3 46 50 B F H < S+ 0 0 19 -4,-2.0 6,-0.3 -5,-0.3 -1,-0.2 0.891 119.9 31.7 -62.1 -42.5 21.8 42.1 64.9 47 51 B V H < S+ 0 0 5 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.799 126.1 39.6 -89.9 -27.7 18.6 43.1 63.0 48 52 B L H < S+ 0 0 2 -4,-2.6 6,-2.9 -5,-0.3 9,-0.2 0.790 99.7 78.6 -92.1 -34.2 20.1 44.4 59.7 49 53 B N S >X S- 0 0 9 -4,-2.0 4,-2.0 -5,-0.4 3,-1.4 -0.484 86.6 -73.9 -76.5 149.0 22.9 41.9 59.0 50 54 B E B 34 S+E 329 0B 3 279,-0.6 279,-1.7 1,-0.3 -1,-0.1 -0.430 110.2 47.5 -55.8 147.1 22.5 38.4 57.6 51 55 B P T 34 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 310,-0.1 -0.988 132.3 21.6 -86.2 -0.5 21.5 35.9 58.8 52 56 B R T <4 S+ 0 0 13 -3,-1.4 -2,-0.3 -6,-0.3 -5,-0.1 0.783 130.2 19.8 -96.0 -29.5 18.4 37.8 60.1 53 57 B G < - 0 0 0 -4,-2.0 -4,-0.2 -8,-0.2 -5,-0.2 0.743 69.8-151.5-108.2 -95.9 18.2 40.9 58.0 54 58 B G > - 0 0 0 -6,-2.9 3,-1.9 1,-0.1 281,-0.1 -0.310 40.2 -86.7 121.9 151.3 19.6 41.6 54.6 55 59 B V T 3 S+ 0 0 6 279,-0.4 190,-0.1 1,-0.3 -1,-0.1 0.708 122.4 63.2 -66.1 -17.3 20.7 44.8 52.8 56 60 B F T 3 S+ 0 0 5 -3,-0.1 -42,-0.4 631,-0.1 -1,-0.3 0.522 89.0 92.7 -84.2 -5.9 17.2 45.4 51.6 57 61 B R < - 0 0 23 -3,-1.9 2,-0.3 -9,-0.2 -3,-0.1 -0.551 49.6-171.1 -86.9 151.6 15.8 45.8 55.1 58 62 B H - 0 0 3 -2,-0.2 -42,-2.0 20,-0.1 2,-0.4 -0.961 13.8-159.3-121.9 152.2 15.2 48.8 57.2 59 63 B V E -dE 16 77A 4 18,-2.3 18,-2.5 -2,-0.3 2,-0.5 -0.996 1.7-154.4-135.1 134.5 14.2 48.3 60.9 60 64 B N E -dE 17 76A 0 -44,-2.9 -42,-3.5 -2,-0.4 2,-0.6 -0.921 4.4-150.8-111.8 131.0 12.6 50.8 63.2 61 65 B L E -dE 18 75A 3 14,-2.6 14,-2.1 -2,-0.5 2,-0.3 -0.885 14.3-142.3 -99.6 116.5 12.8 50.8 67.0 62 66 B L E + E 0 74A 21 -44,-1.6 12,-0.3 -2,-0.6 -40,-0.1 -0.575 30.0 165.1 -71.4 137.3 9.8 52.3 68.8 63 67 B V E - E 0 73A 4 10,-2.1 10,-2.8 -2,-0.3 3,-0.1 -0.975 46.5 -85.8-144.2 156.8 10.7 54.3 71.9 64 68 B P - 0 0 79 0, 0.0 8,-0.2 0, 0.0 7,-0.1 -0.430 56.4-110.5 -58.1 140.0 8.8 56.8 74.1 65 69 B P - 0 0 33 0, 0.0 8,-0.1 0, 0.0 51,-0.0 -0.399 19.1-158.0 -75.1 151.4 9.1 60.2 72.5 66 70 B K S S+ 0 0 104 6,-0.1 7,-0.0 -3,-0.1 -37,-0.0 0.720 73.4 85.7 -92.9 -31.5 11.2 63.0 74.2 67 71 B D S > S- 0 0 32 1,-0.1 3,-1.8 2,-0.0 -38,-0.0 -0.532 78.6-138.5 -73.4 127.4 9.4 65.9 72.4 68 72 B P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.703 99.1 62.4 -63.8 -19.1 6.3 66.8 74.5 69 73 B R T 3 S+ 0 0 170 45,-0.0 2,-0.2 2,-0.0 44,-0.1 0.727 93.9 81.2 -73.5 -21.4 4.2 67.2 71.3 70 74 B A < - 0 0 12 -3,-1.8 44,-0.2 1,-0.1 3,-0.1 -0.521 55.5-163.5 -96.7 155.4 4.6 63.5 70.3 71 75 B Q S S+ 0 0 96 42,-2.9 2,-0.3 1,-0.3 43,-0.2 0.732 80.6 14.8 -99.8 -33.0 2.9 60.3 71.4 72 76 B M E - f 0 114A 34 41,-0.9 43,-2.2 -8,-0.2 -1,-0.3 -0.996 66.6-152.0-145.7 141.3 5.4 57.8 70.2 73 77 B G E -Ef 63 115A 0 -10,-2.8 -10,-2.1 -2,-0.3 2,-0.3 -0.705 9.7-167.9-106.7 164.1 9.0 58.0 69.0 74 78 B F E -E 62 0A 0 41,-2.1 2,-0.5 -12,-0.3 -12,-0.2 -0.992 15.2-148.1-152.8 147.3 11.0 55.9 66.5 75 79 B I E -E 61 0A 0 -14,-2.1 -14,-2.6 -2,-0.3 2,-0.5 -0.969 20.5-142.6-115.5 124.6 14.6 55.4 65.5 76 80 B I E -E 60 0A 0 -2,-0.5 2,-0.7 7,-0.5 -16,-0.2 -0.779 10.1-163.6 -94.0 121.9 15.2 54.4 61.8 77 81 B M E +E 59 0A 0 -18,-2.5 -18,-2.3 -2,-0.5 5,-0.2 -0.916 13.2 177.7-109.1 107.2 18.0 51.9 61.1 78 82 B E B > -F 81 0C 8 3,-2.6 3,-0.8 -2,-0.7 -20,-0.1 -0.605 46.4 -93.0-100.9 166.3 19.0 51.9 57.5 79 83 B P T 3 S+ 0 0 7 0, 0.0 3,-0.1 0, 0.0 -21,-0.1 0.802 118.7 8.4 -54.9 -34.7 21.8 49.8 56.0 80 84 B A T 3 S+ 0 0 47 163,-0.5 2,-0.3 1,-0.1 -3,-0.0 0.128 128.1 39.7-132.8 19.9 24.6 52.4 56.4 81 85 B D B < -F 78 0C 28 -3,-0.8 -3,-2.6 162,-0.1 -1,-0.1 -0.990 52.8-145.9-164.3 160.9 22.9 55.2 58.4 82 86 B T - 0 0 2 -2,-0.3 -5,-0.2 -5,-0.2 -44,-0.1 -0.831 47.2-173.6-131.5 82.7 20.6 56.1 61.2 83 87 B P - 0 0 0 0, 0.0 -7,-0.5 0, 0.0 35,-0.2 -0.178 38.0-105.9 -94.3 176.0 19.0 59.2 59.8 84 88 B P S S- 0 0 6 0, 0.0 34,-2.8 0, 0.0 2,-0.3 0.853 94.2 -6.9 -63.6 -40.1 16.6 62.1 60.8 85 89 B M - 0 0 1 82,-0.9 2,-0.3 32,-0.2 81,-0.1 -0.994 46.8-171.0-157.1 158.1 13.7 60.8 58.8 86 90 B S > - 0 0 10 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.883 14.0-154.6-152.3 122.5 12.4 58.3 56.2 87 91 B G H > S+ 0 0 3 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.955 95.4 45.7 -65.9 -52.5 9.0 58.6 54.6 88 92 B S H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 115.5 48.7 -59.2 -42.3 8.4 54.9 53.8 89 93 B N H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.907 107.5 53.8 -67.4 -36.3 9.6 53.9 57.2 90 94 B S H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.854 109.1 50.8 -65.8 -30.5 7.4 56.4 59.0 91 95 B I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.890 110.6 47.2 -72.2 -41.1 4.4 54.9 57.1 92 96 B C H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.919 112.8 50.7 -63.3 -44.4 5.4 51.4 58.2 93 97 B V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.941 111.4 47.2 -59.0 -46.9 5.8 52.6 61.8 94 98 B S H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.908 113.4 48.9 -61.2 -43.7 2.4 54.3 61.7 95 99 B T H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 37,-0.3 0.943 113.8 44.9 -64.3 -46.9 0.8 51.2 60.2 96 100 B A H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 6,-0.4 0.902 110.8 54.3 -64.6 -41.9 2.4 48.8 62.8 97 101 B I H X>S+ 0 0 0 -4,-2.7 5,-1.7 -5,-0.2 6,-1.3 0.923 116.9 36.6 -56.7 -47.1 1.6 51.1 65.8 98 102 B L H ><5S+ 0 0 5 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.897 116.3 50.7 -78.3 -39.5 -2.1 51.2 64.9 99 103 B D H 3<5S+ 0 0 12 -4,-2.9 250,-0.5 1,-0.2 -1,-0.2 0.767 113.6 46.8 -71.0 -25.1 -2.5 47.6 63.6 100 104 B S H 3<5S- 0 0 23 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.575 113.1-114.8 -91.2 -12.0 -0.9 46.2 66.8 101 105 B G T <<5S+ 0 0 56 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.562 76.0 129.8 88.9 10.1 -2.9 48.4 69.2 102 106 B I S - 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