==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-08 2V4V . COMPND 2 MOLECULE: GH59 GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM CELLULOLYTICUM; . AUTHOR D.W.ABBOTT,E.FICKO-BLEAN,A.LAMMERTS VAN BUEREN,P.M.COUTINHO, . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 45.0 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 . 1 0.8 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 . 16 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.4 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 2 2 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 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 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 1 922 A Q 0 0 93 0, 0.0 44,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 145.6 14.5 45.0 18.1 2 923 A S B > -a 45 0A 54 42,-0.2 3,-1.4 1,-0.1 44,-0.2 -0.528 360.0-140.8 -76.1 137.4 14.5 42.9 21.2 3 924 A A T 3 S+ 0 0 0 42,-2.7 124,-2.5 -2,-0.2 4,-0.1 0.772 104.8 58.0 -59.9 -23.7 17.7 41.1 22.1 4 925 A Y T 3 S+ 0 0 63 41,-0.4 -1,-0.2 122,-0.2 2,-0.1 0.442 89.3 91.8 -92.4 -3.7 15.4 38.2 23.2 5 926 A S S < S- 0 0 43 -3,-1.4 2,-0.7 1,-0.1 122,-0.4 -0.366 92.3 -94.7 -80.4 164.2 13.8 37.8 19.7 6 927 A R - 0 0 142 120,-0.1 2,-0.6 -2,-0.1 120,-0.2 -0.767 43.0-160.8 -79.0 117.0 15.0 35.5 17.0 7 928 A I E -F 125 0B 2 118,-3.0 118,-2.2 -2,-0.7 2,-0.3 -0.900 12.2-136.4-106.8 114.8 17.2 37.7 14.9 8 929 A E E > -F 124 0B 50 -2,-0.6 3,-2.1 116,-0.2 116,-0.3 -0.549 13.5-132.8 -71.4 137.7 17.8 36.3 11.4 9 930 A A G > S+ 0 0 0 114,-2.5 3,-0.9 1,-0.3 115,-0.2 0.828 104.4 57.8 -62.3 -34.1 21.5 36.7 10.5 10 931 A E G 3 S+ 0 0 44 113,-0.5 -1,-0.3 18,-0.3 10,-0.1 0.504 86.7 80.0 -74.9 -4.1 20.6 38.1 7.0 11 932 A S G < + 0 0 58 -3,-2.1 -1,-0.2 30,-0.0 -2,-0.1 0.194 67.4 144.2 -87.0 16.7 18.6 41.0 8.6 12 933 A Y < - 0 0 63 -3,-0.9 29,-0.2 1,-0.1 3,-0.1 -0.140 51.3-144.8 -57.3 149.3 21.8 42.9 9.4 13 934 A S S S- 0 0 62 27,-2.8 2,-0.3 1,-0.3 28,-0.2 0.728 85.6 -1.7 -76.7 -30.5 21.9 46.7 9.2 14 935 A N E -B 40 0A 81 26,-1.2 26,-2.7 2,-0.0 2,-0.3 -0.974 68.1-171.2-157.8 154.4 25.5 46.6 7.9 15 936 A Q E -B 39 0A 63 -2,-0.3 2,-0.4 24,-0.2 24,-0.2 -0.992 13.7-148.4-150.4 157.5 28.1 44.0 7.1 16 937 A S E S-B 38 0A 48 22,-2.9 22,-2.1 -2,-0.3 -2,-0.0 -0.963 77.2 -14.0-130.1 116.9 31.8 43.6 6.2 17 938 A G S S+ 0 0 46 -2,-0.4 2,-0.2 1,-0.2 20,-0.1 0.336 100.4 106.6 92.4 -5.0 33.0 40.8 4.0 18 939 A I - 0 0 8 20,-0.3 2,-0.3 15,-0.1 -1,-0.2 -0.509 48.5-151.2-107.0 173.7 30.1 38.3 4.0 19 940 A Q E -G 31 0B 112 12,-1.9 12,-2.9 -2,-0.2 2,-0.3 -0.992 17.0-127.6-142.8 141.3 27.4 37.2 1.5 20 941 A T E +G 30 0B 53 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.647 34.7 169.8 -85.4 150.0 23.9 35.8 2.2 21 942 A E E -G 29 0B 55 8,-2.2 8,-2.4 -2,-0.3 2,-0.2 -0.929 42.0 -66.6-151.8 170.6 22.9 32.5 0.6 22 943 A T E -G 28 0B 123 -2,-0.3 2,-0.4 6,-0.2 6,-0.3 -0.445 47.7-144.1 -69.2 130.1 20.1 29.9 0.6 23 944 A C > - 0 0 4 4,-2.6 3,-2.1 -2,-0.2 67,-0.1 -0.832 8.6-139.8 -99.2 129.8 20.0 28.1 3.9 24 945 A S T 3 S+ 0 0 75 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.756 104.9 55.7 -57.4 -28.3 19.1 24.3 3.9 25 946 A E T 3 S- 0 0 83 1,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.411 128.9 -83.6 -84.5 1.7 16.9 24.8 7.0 26 947 A G S < S+ 0 0 42 -3,-2.1 -1,-0.3 1,-0.3 2,-0.1 -0.132 95.0 31.8 107.0 152.1 14.9 27.5 5.2 27 948 A G S S- 0 0 54 -3,-0.1 -4,-2.6 -2,-0.1 -1,-0.3 -0.384 98.7 -47.9 66.5-143.7 15.5 31.2 4.6 28 949 A E E -G 22 0B 78 -6,-0.3 2,-0.3 95,-0.2 -18,-0.3 -0.838 38.5-150.3-127.5 155.3 19.1 32.4 4.4 29 950 A D E -G 21 0B 0 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.7 -0.947 25.0-119.9-120.0 154.5 22.4 32.1 6.1 30 951 A V E +GH 20 122B 0 92,-3.0 92,-2.5 -2,-0.3 -10,-0.2 -0.828 52.1 161.5 -84.1 118.0 25.3 34.5 6.3 31 952 A G E +G 19 0B 0 -12,-2.9 -12,-1.9 -2,-0.7 3,-0.1 -0.563 36.8 69.3-125.4-166.1 28.2 32.7 4.7 32 953 A F + 0 0 71 1,-0.2 2,-0.6 -14,-0.2 -1,-0.1 0.915 68.6 172.7 53.7 47.9 31.6 33.3 3.1 33 954 A V + 0 0 1 87,-0.5 86,-2.7 -3,-0.1 2,-0.3 -0.784 7.9 171.5 -95.2 121.3 32.9 34.1 6.6 34 955 A E > - 0 0 95 -2,-0.6 3,-2.7 84,-0.2 78,-0.2 -0.832 48.2 -68.5-122.6 161.3 36.6 34.7 7.1 35 956 A N T 3 S+ 0 0 90 82,-0.5 78,-0.2 80,-0.5 3,-0.1 -0.236 122.4 22.2 -50.0 129.4 38.5 36.0 10.0 36 957 A G T 3 S+ 0 0 33 76,-2.8 -1,-0.3 1,-0.4 77,-0.1 0.160 91.5 124.2 98.1 -17.2 37.8 39.7 10.6 37 958 A D < + 0 0 23 -3,-2.7 75,-2.8 75,-0.4 -1,-0.4 -0.298 37.0 176.5 -69.1 161.1 34.4 39.7 8.8 38 959 A Y E -BC 16 111A 51 -22,-2.1 -22,-2.9 73,-0.2 2,-0.3 -0.993 26.1-145.2-158.4 163.2 31.4 40.9 10.7 39 960 A T E -BC 15 110A 0 71,-2.0 71,-2.8 -2,-0.3 2,-0.4 -0.945 17.7-147.1-126.0 159.4 27.7 41.7 10.6 40 961 A V E -BC 14 109A 1 -26,-2.7 -27,-2.8 -2,-0.3 -26,-1.2 -0.975 8.4-166.7-130.7 136.2 25.9 44.5 12.5 41 962 A Y E - C 0 108A 0 67,-2.6 67,-2.8 -2,-0.4 3,-0.4 -0.971 23.9-141.7-124.4 109.4 22.4 44.7 14.0 42 963 A N E + 0 0 59 -2,-0.5 65,-0.2 65,-0.2 64,-0.0 -0.388 67.4 7.2 -76.9 151.5 21.3 48.2 15.0 43 964 A N E S+ 0 0 108 1,-0.2 2,-0.5 -2,-0.1 64,-0.2 0.904 71.3 175.5 55.8 49.3 19.2 49.3 18.0 44 965 A V E - C 0 106A 0 62,-2.7 62,-2.5 -3,-0.4 2,-0.7 -0.791 22.6-142.1 -86.9 129.3 19.1 46.0 19.8 45 966 A D E +aC 2 105A 57 -44,-3.0 -42,-2.7 -2,-0.5 -41,-0.4 -0.840 23.1 176.2 -99.5 112.9 17.3 46.4 23.2 46 967 A F E - 0 0 0 58,-2.6 4,-0.4 -2,-0.7 -1,-0.1 0.513 17.6-169.6 -86.2 -9.2 18.9 44.3 26.0 47 968 A G E - 0 0 33 57,-0.2 57,-0.9 1,-0.1 2,-0.4 -0.249 52.7 -54.7 49.1-133.1 16.6 45.7 28.7 48 969 A D E S+ C 0 103A 141 55,-0.2 -1,-0.1 1,-0.1 55,-0.1 -0.910 117.4 59.3-138.2 104.9 18.0 44.5 32.0 49 970 A G + 0 0 31 53,-0.6 -2,-0.1 -2,-0.4 -1,-0.1 0.428 54.2 151.4 160.8 -3.3 18.5 40.7 32.3 50 971 A V + 0 0 13 52,-0.5 79,-0.3 -4,-0.4 52,-0.2 -0.241 1.5 151.1 -63.8 136.3 20.9 39.3 29.6 51 972 A G + 0 0 33 77,-3.1 48,-1.8 1,-0.3 2,-0.3 0.484 56.9 15.9-133.4 -15.4 22.8 36.1 30.5 52 973 A G E -IJ 98 128B 6 76,-1.9 76,-2.2 46,-0.3 2,-0.3 -0.944 50.4-139.1-157.4 173.3 23.5 34.2 27.3 53 974 A F E -IJ 97 127B 5 44,-2.4 44,-2.0 -2,-0.3 2,-0.4 -0.995 11.1-166.9-145.6 139.3 23.6 33.9 23.5 54 975 A Q E -IJ 96 126B 62 72,-2.8 72,-2.5 -2,-0.3 2,-0.4 -0.999 6.6-172.5-131.6 127.6 22.6 31.2 21.1 55 976 A A E -IJ 95 125B 0 40,-3.0 40,-3.1 -2,-0.4 2,-0.8 -0.978 21.9-138.1-125.3 138.5 23.6 31.0 17.4 56 977 A R E +IJ 94 124B 58 68,-2.9 67,-3.1 -2,-0.4 68,-0.6 -0.851 44.2 166.2 -94.9 108.5 22.3 28.6 14.8 57 978 A V E -IJ 93 122B 1 36,-2.4 36,-2.4 -2,-0.8 2,-0.3 -0.893 28.6-167.3-133.9 152.7 25.5 27.7 12.9 58 979 A A E +IJ 92 121B 0 63,-2.0 63,-2.9 -2,-0.3 2,-0.3 -0.965 11.5 176.1-133.2 151.0 27.0 25.3 10.3 59 980 A S E -I 88 0B 0 29,-0.7 27,-3.5 32,-0.5 28,-1.3 -0.858 28.6-166.8-159.7 132.5 30.6 24.6 9.3 60 981 A A S S+ 0 0 46 -2,-0.3 29,-0.1 27,-0.2 60,-0.1 0.345 88.8 46.3 -89.5 4.8 32.5 22.2 7.0 61 982 A T S S- 0 0 62 58,-0.4 26,-0.3 27,-0.1 58,-0.1 0.051 116.9 -67.9-117.2-137.0 35.7 23.3 8.7 62 983 A S - 0 0 111 1,-0.4 21,-0.1 56,-0.3 57,-0.1 0.073 64.9-134.0-113.7 22.2 36.7 23.7 12.3 63 984 A G - 0 0 5 56,-0.7 -1,-0.4 21,-0.2 52,-0.4 -0.309 18.9-147.4 66.9-142.0 34.5 26.8 13.1 64 985 A G E -D 83 0A 14 19,-1.6 19,-3.2 50,-0.1 2,-0.3 -0.921 29.2 -59.1 165.6-153.9 35.9 29.7 14.9 65 986 A N E -DE 82 113A 65 48,-3.2 48,-2.7 -2,-0.3 2,-0.7 -0.947 25.0-144.7-127.3 146.9 34.5 32.3 17.4 66 987 A I E -DE 81 112A 0 15,-2.2 15,-3.0 -2,-0.3 2,-0.5 -0.957 20.6-155.9-105.8 107.2 31.7 34.9 17.2 67 988 A E E -DE 80 111A 30 44,-3.2 44,-2.8 -2,-0.7 2,-0.8 -0.767 6.0-147.9 -82.2 128.9 32.8 37.9 19.2 68 989 A I E +DE 79 110A 0 11,-3.0 10,-3.1 -2,-0.5 11,-0.9 -0.878 26.0 174.1-104.4 110.4 29.8 39.8 20.4 69 990 A R E -DE 77 109A 43 40,-2.9 40,-3.1 -2,-0.8 2,-0.5 -0.833 24.0-127.5-122.0 147.9 30.8 43.5 20.6 70 991 A L E S- E 0 108A 13 6,-2.3 6,-0.4 -2,-0.3 38,-0.2 -0.855 73.7 -16.8-104.3 132.6 28.7 46.6 21.3 71 992 A D S S+ 0 0 74 36,-3.3 2,-0.3 -2,-0.5 -1,-0.1 0.161 124.4 36.0 73.5 -15.8 28.5 49.8 19.2 72 993 A S S > S- 0 0 46 35,-0.2 3,-2.0 -2,-0.2 37,-0.2 -0.972 83.8-109.7-156.7 163.4 31.5 49.3 17.0 73 994 A S T 3 S+ 0 0 37 1,-0.3 -2,-0.1 -2,-0.3 -34,-0.0 0.655 125.4 35.1 -68.2 -16.1 33.4 46.4 15.4 74 995 A T T 3 S+ 0 0 121 -4,-0.1 -1,-0.3 -5,-0.0 3,-0.1 0.112 101.5 123.8-114.1 13.7 36.2 46.9 17.9 75 996 A G S < S- 0 0 11 -3,-2.0 -4,-0.1 1,-0.2 34,-0.0 -0.036 72.0 -44.4 -80.2 179.5 33.9 47.9 20.7 76 997 A T - 0 0 105 -6,-0.4 -6,-2.3 -7,-0.2 2,-0.4 -0.084 60.4-129.6 -45.2 128.2 33.4 46.5 24.2 77 998 A L E +D 69 0A 70 -8,-0.2 -8,-0.2 -3,-0.1 -1,-0.1 -0.668 30.4 172.4 -83.5 132.2 33.2 42.7 24.2 78 999 A I E - 0 0 7 -10,-3.1 22,-2.7 1,-0.4 2,-0.3 0.508 66.0 -13.7-118.1 -6.3 30.3 41.1 26.0 79 1000 A G E -D 68 0A 11 -11,-0.9 -11,-3.0 20,-0.2 -1,-0.4 -0.920 48.3-138.2-179.6 162.9 30.8 37.5 25.0 80 1001 A T E -D 67 0A 51 18,-0.4 -13,-0.2 -2,-0.3 18,-0.2 -0.971 20.2-155.0-135.4 115.2 32.7 35.1 22.7 81 1002 A C E -D 66 0A 0 -15,-3.0 -15,-2.2 -2,-0.4 2,-0.3 -0.808 12.0-140.9 -97.4 115.7 30.6 32.2 21.2 82 1003 A P E -D 65 0A 75 0, 0.0 2,-0.4 0, 0.0 14,-0.3 -0.556 16.1-162.5 -77.1 139.0 32.7 29.2 20.3 83 1004 A V E -D 64 0A 10 -19,-3.2 -19,-1.6 -2,-0.3 2,-0.3 -0.980 3.4-163.1-122.8 132.6 31.6 27.5 17.1 84 1005 A A - 0 0 69 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.828 31.7 -86.6-117.8 152.5 32.7 24.0 16.1 85 1006 A G - 0 0 38 -2,-0.3 -25,-0.2 1,-0.1 -1,-0.1 -0.055 28.4-170.1 -50.2 150.6 32.6 22.1 12.8 86 1007 A T - 0 0 36 -27,-3.5 -26,-0.2 2,-0.1 -1,-0.1 0.312 46.1-110.7-124.0 3.0 29.4 20.3 11.9 87 1008 A G S S+ 0 0 68 -28,-1.3 2,-0.3 -26,-0.3 -27,-0.2 0.354 92.7 50.4 86.5 -8.4 30.7 18.4 8.9 88 1009 A D E > S-I 59 0B 81 -29,-0.7 3,-1.3 3,-0.3 -29,-0.7 -0.955 77.2-125.1-160.1 144.3 28.8 20.3 6.3 89 1010 A W E 3 S+ 0 0 79 -2,-0.3 -31,-0.1 1,-0.2 32,-0.1 0.636 113.8 39.8 -64.2 -16.1 28.1 23.9 5.3 90 1011 A Q E 3 S+ 0 0 43 -67,-0.1 2,-0.6 -31,-0.1 -1,-0.2 0.096 89.2 94.1-126.3 25.2 24.4 23.3 5.5 91 1012 A T E < - 0 0 74 -3,-1.3 -32,-0.5 -67,-0.0 -3,-0.3 -0.981 65.4-158.6-114.2 112.4 24.0 21.0 8.6 92 1013 A Y E +I 58 0B 16 -2,-0.6 2,-0.3 -34,-0.2 -34,-0.2 -0.581 20.0 170.6 -98.6 156.7 23.3 23.3 11.6 93 1014 A T E -I 57 0B 70 -36,-2.4 -36,-2.4 -2,-0.2 2,-0.6 -0.841 39.2 -90.8-145.9 178.0 23.6 23.1 15.3 94 1015 A D E -I 56 0B 56 -2,-0.3 2,-0.4 -38,-0.2 -38,-0.2 -0.890 31.1-167.5-101.1 122.5 23.3 25.5 18.3 95 1016 A A E -I 55 0B 9 -40,-3.1 -40,-3.0 -2,-0.6 2,-0.3 -0.862 17.7-175.5-101.7 143.4 26.5 27.3 19.5 96 1017 A K E +I 54 0B 136 -2,-0.4 2,-0.3 -14,-0.3 -42,-0.2 -0.991 14.3 164.7-144.8 150.2 26.0 28.9 22.9 97 1018 A C E -I 53 0B 25 -44,-2.0 -44,-2.4 -2,-0.3 2,-0.2 -0.973 36.7 -99.7-154.6 164.1 27.9 31.2 25.4 98 1019 A T E -I 52 0B 117 -2,-0.3 2,-0.4 -46,-0.2 -18,-0.4 -0.523 33.5-148.1 -80.6 162.0 27.4 33.3 28.4 99 1020 A V - 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