==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 01-MAY-06 2GUX . COMPND 2 MOLECULE: GRIFFITHSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GRIFFITHSIA; . AUTHOR N.E.ZIOLKOWSKA,A.WLODAWER . 126 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 42.1 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.2 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+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 . 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 PARALLEL BRIDGES PER LADDER . 0 2 0 2 1 1 1 0 1 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 . 1 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 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 -4 A L 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 36.9 8.8 22.8 -8.6 2 -3 A V - 0 0 111 5,-0.0 3,-0.1 0, 0.0 4,-0.1 -0.661 360.0 -75.4 177.4 149.5 12.6 22.8 -8.0 3 -2 A P > - 0 0 99 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.228 56.8 -93.7 -61.7 155.3 14.5 20.0 -6.0 4 -1 A R T 3 S+ 0 0 252 1,-0.3 4,-0.1 2,-0.1 0, 0.0 -0.379 110.4 9.5 -71.2 132.2 14.3 20.0 -2.2 5 0 A G T 3 S+ 0 0 52 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.734 87.2 127.3 66.1 20.4 17.1 21.9 -0.5 6 1 A S S < S+ 0 0 67 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.624 75.0 49.4 -80.6 -16.2 18.3 23.3 -3.9 7 2 A L S S+ 0 0 126 -4,-0.3 2,-0.2 -5,-0.1 -1,-0.2 -0.994 92.4 129.1-110.7 119.4 18.1 26.7 -2.3 8 3 A T - 0 0 110 -2,-0.5 2,-0.3 -3,-0.1 -2,-0.0 -0.825 45.0-128.4-152.8-175.5 20.0 26.3 0.8 9 4 A H - 0 0 152 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.984 7.6-158.3-148.3 161.8 22.7 27.5 3.1 10 5 A R - 0 0 190 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.997 12.4-140.7-143.9 137.0 25.8 26.3 4.9 11 6 A K - 0 0 154 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.776 16.9-173.1 -99.3 138.8 27.7 27.7 7.9 12 7 A F + 0 0 161 -2,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.983 48.2 20.3-127.6 143.3 31.5 27.6 8.1 13 8 A G S S- 0 0 73 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.605 84.6 -57.6 101.0-162.9 33.6 28.6 11.1 14 9 A G - 0 0 62 -2,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.061 49.7 -86.4-114.0-154.0 32.9 28.8 14.8 15 10 A S S S+ 0 0 122 -2,-0.1 -2,-0.0 0, 0.0 -1,-0.0 0.554 80.8 107.6-103.2 -7.5 30.7 30.6 17.3 16 11 A G + 0 0 74 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.026 54.7 24.8 -66.3 167.9 32.6 33.9 18.0 17 12 A G S S- 0 0 76 2,-0.0 0, 0.0 1,-0.0 0, 0.0 0.033 88.5 -56.7 79.4-177.0 32.0 37.6 17.0 18 13 A S - 0 0 100 1,-0.1 -2,-0.0 42,-0.0 42,-0.0 -0.860 54.3-108.9-105.8 137.4 28.9 39.6 16.2 19 14 A P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.195 38.5 175.2 -51.2 144.0 26.5 38.6 13.4 20 15 A F - 0 0 185 39,-0.1 2,-0.4 40,-0.1 39,-0.1 -0.948 19.0-139.9-145.2 161.5 26.3 40.8 10.2 21 16 A S - 0 0 53 -2,-0.3 36,-0.1 36,-0.1 85,-0.0 -0.949 20.6-131.7-118.7 151.1 24.5 40.4 6.9 22 17 A G S S+ 0 0 52 -2,-0.4 2,-1.1 1,-0.2 3,-0.2 0.690 106.4 73.5 -60.3 -24.0 25.7 41.2 3.4 23 18 A L + 0 0 6 83,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.801 65.0 153.0 -94.7 90.2 22.4 43.1 3.3 24 19 A S + 0 0 53 -2,-1.1 33,-1.9 1,-0.3 2,-0.3 0.754 55.4 1.3 -98.8 -33.5 23.6 45.9 5.5 25 20 A S E -A 56 0A 18 31,-0.2 15,-2.5 -3,-0.2 2,-0.3 -0.990 54.2-161.1-159.7 157.1 21.5 48.9 4.5 26 21 A I E +AB 55 39A 4 29,-1.9 29,-3.3 -2,-0.3 2,-0.3 -0.997 14.0 161.1-143.6 137.7 18.8 50.1 2.1 27 22 A A E - B 0 38A 2 11,-1.7 11,-3.3 -2,-0.3 2,-0.3 -0.924 19.2-155.7-143.5 166.2 17.5 53.4 0.8 28 23 A V E - B 0 37A 0 -2,-0.3 24,-2.8 9,-0.2 2,-0.4 -0.946 15.3-135.9-138.0 158.0 15.4 54.0 -2.3 29 24 A R E +CB 51 36A 61 7,-2.1 6,-2.4 -2,-0.3 7,-1.6 -0.976 42.4 167.0-108.9 136.1 14.7 56.8 -4.7 30 25 A S E +CB 50 34A 12 20,-1.9 20,-2.6 -2,-0.4 4,-0.2 -0.991 31.1 152.2-154.4 150.5 10.9 57.2 -5.4 31 26 A G S S- 0 0 37 2,-2.5 60,-0.2 -2,-0.3 4,-0.0 -0.166 92.0 -32.0-132.2-117.0 8.0 59.2 -6.8 32 27 A S S S+ 0 0 83 -2,-0.1 60,-1.0 59,-0.1 62,-0.4 0.635 140.9 31.6 -80.5 -15.9 4.8 57.4 -8.0 33 28 A Y S S- 0 0 106 58,-0.2 -2,-2.5 60,-0.1 2,-0.6 -0.812 100.8 -91.7-122.3 172.7 7.2 54.5 -9.0 34 29 A L E -B 30 0A 1 40,-2.6 82,-2.8 82,-0.3 40,-0.2 -0.815 35.1-177.6 -84.0 118.8 10.5 53.2 -7.6 35 30 A D E - 0 0 5 -6,-2.4 11,-2.2 -2,-0.6 2,-0.3 0.879 65.0 -15.8 -79.6 -41.0 13.4 55.0 -9.4 36 31 A A E -BD 29 45A 0 -7,-1.6 -7,-2.1 9,-0.3 2,-0.4 -0.993 49.1-141.2-159.5 153.8 16.2 53.1 -7.6 37 32 A I E -BD 28 44A 6 7,-2.5 7,-1.9 -2,-0.3 2,-0.5 -0.979 17.9-153.8-118.9 147.3 17.1 50.9 -4.7 38 33 A I E -BD 27 43A 22 -11,-3.3 -11,-1.7 -2,-0.4 2,-0.5 -0.977 9.8-169.9-125.0 116.9 20.4 51.4 -2.9 39 34 A I E > S-BD 26 42A 18 3,-2.2 3,-2.0 -2,-0.5 -13,-0.2 -0.946 73.3 -19.3-117.3 116.3 21.8 48.4 -1.2 40 35 A D T 3 S- 0 0 67 -15,-2.5 -1,-0.2 -2,-0.5 -14,-0.1 0.826 129.1 -52.7 55.0 33.0 24.9 48.9 1.1 41 36 A G T 3 S+ 0 0 64 1,-0.3 2,-0.5 -16,-0.1 -1,-0.3 0.263 109.7 127.1 89.4 -8.6 25.5 52.2 -0.7 42 37 A V E < -D 39 0A 84 -3,-2.0 -3,-2.2 1,-0.0 2,-0.3 -0.734 58.2-131.1 -87.7 123.6 25.5 50.6 -4.2 43 38 A H E -D 38 0A 84 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.532 23.9-176.9 -77.3 132.2 23.0 52.4 -6.5 44 39 A H E +D 37 0A 78 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.3 -0.801 55.5 4.5-132.8 97.6 20.5 50.3 -8.5 45 40 A G E S-D 36 0A 20 -2,-0.4 -9,-0.3 -9,-0.2 70,-0.2 -0.939 93.3 -32.4 131.5-159.7 18.3 52.3 -10.9 46 41 A G - 0 0 10 -11,-2.2 -2,-0.1 68,-0.8 68,-0.1 -0.100 45.7-114.6 -94.3-173.6 17.9 55.9 -12.1 47 42 A S S S+ 0 0 104 -2,-0.0 4,-0.1 -12,-0.0 68,-0.1 0.169 75.6 111.1-111.1 15.4 18.4 59.3 -10.6 48 43 A G + 0 0 31 66,-0.4 -13,-0.2 -19,-0.1 -12,-0.1 -0.276 60.6 20.2 -78.0 173.2 14.8 60.4 -10.6 49 44 A G S S- 0 0 36 -20,-0.1 2,-0.4 -14,-0.1 -18,-0.2 -0.139 97.9 -41.0 68.2-161.4 12.5 61.0 -7.7 50 45 A N E -C 30 0A 127 -20,-2.6 -20,-1.9 0, 0.0 2,-0.4 -0.890 48.3-123.3-116.6 134.6 13.4 61.6 -4.1 51 46 A L E -C 29 0A 103 -2,-0.4 -22,-0.2 -22,-0.2 3,-0.1 -0.589 25.2-146.6 -76.6 122.9 16.0 59.9 -1.9 52 47 A S - 0 0 11 -24,-2.8 2,-0.1 -2,-0.4 -1,-0.1 -0.296 31.8 -87.2 -73.1 164.8 14.8 58.2 1.3 53 48 A P - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -25,-0.2 -0.426 51.7-102.7 -60.1 152.1 16.8 58.1 4.5 54 49 A T - 0 0 90 -27,-0.1 2,-0.6 -2,-0.1 -27,-0.2 -0.741 28.3-147.9 -79.7 126.5 19.2 55.1 4.7 55 50 A F E -A 26 0A 14 -29,-3.3 -29,-1.9 -2,-0.5 2,-0.5 -0.881 14.0-164.9 -93.4 115.2 17.9 52.3 6.9 56 51 A T E -A 25 0A 85 -2,-0.6 2,-0.3 -31,-0.2 -31,-0.2 -0.920 15.0-132.6-106.6 122.1 20.9 50.5 8.5 57 52 A F - 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