==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CARBOHYDRATE BINDING PROTEIN 09-JAN-08 2JZK . COMPND 2 MOLECULE: CYANOVIRIN-N HOMOLOG; . SOURCE 2 ORGANISM_SCIENTIFIC: TUBER BORCHII; . AUTHOR L.M.I.KOHARUDIN,A.R.VISCOMI,J.JEE,S.OTTONELLO,A.M.GRONENBORN . 103 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 74.8 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 . 36 35.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1.0 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 . 18 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1 0 3 1 0 1 0 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 . 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 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 0 150 0, 0.0 2,-0.2 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 166.2 0.9 14.3 -1.3 2 2 A S > - 0 0 2 92,-0.1 3,-2.4 90,-0.1 4,-0.3 -0.592 360.0 -86.5-112.7 178.1 2.3 10.9 -0.5 3 3 A Y G > S+ 0 0 0 90,-2.3 3,-2.3 87,-0.3 91,-0.1 0.831 119.9 74.1 -51.7 -34.2 5.8 9.5 0.3 4 4 A A G > S+ 0 0 21 1,-0.3 3,-1.0 89,-0.2 -1,-0.3 0.667 75.2 79.9 -56.3 -18.8 6.3 9.2 -3.5 5 5 A D G < S+ 0 0 94 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.843 118.6 10.8 -58.0 -32.9 6.7 13.0 -3.6 6 6 A S G < S+ 0 0 28 -3,-2.3 18,-3.0 -4,-0.3 2,-0.3 -0.174 123.2 79.8-137.4 37.9 10.2 12.5 -2.4 7 7 A S E < -A 23 0A 13 -3,-1.0 2,-0.3 16,-0.2 16,-0.2 -0.995 50.5-176.1-147.2 148.0 10.5 8.7 -2.9 8 8 A R E +A 22 0A 139 14,-1.7 14,-3.2 -2,-0.3 -3,-0.0 -0.894 56.5 42.6-140.6 169.7 11.1 6.3 -5.8 9 9 A N E - 0 0 117 -2,-0.3 2,-0.6 12,-0.2 -1,-0.2 0.933 67.1-174.8 57.4 52.3 11.3 2.6 -6.6 10 10 A A E + 0 0 23 57,-0.5 11,-0.2 11,-0.2 2,-0.2 -0.694 8.0 171.4 -82.5 118.1 8.2 1.7 -4.6 11 11 A V E -A 20 0A 73 9,-3.1 9,-2.3 -2,-0.6 2,-0.6 -0.752 35.6-107.6-121.6 170.8 7.7 -2.0 -4.5 12 12 A L E +A 19 0A 46 -2,-0.2 3,-0.2 7,-0.2 2,-0.2 -0.888 40.8 177.2-105.1 114.6 5.4 -4.5 -2.7 13 13 A T E >>> +A 18 0A 19 5,-2.7 5,-2.2 -2,-0.6 4,-1.8 -0.628 53.9 40.4-111.8 170.4 7.1 -6.5 -0.0 14 14 A N T 345S- 0 0 96 1,-0.3 2,-0.2 -2,-0.2 -1,-0.2 0.925 138.8 -49.3 59.5 46.3 6.0 -9.1 2.5 15 15 A G T 345S- 0 0 76 -3,-0.2 -1,-0.3 1,-0.2 47,-0.2 -0.048 113.0 -50.4 86.0 -34.9 3.6 -10.7 -0.0 16 16 A G T <45S+ 0 0 0 -3,-1.4 -2,-0.2 -2,-0.2 -1,-0.2 0.532 117.6 95.1 136.2 38.0 2.2 -7.2 -0.9 17 17 A R T <5S+ 0 0 94 -4,-1.8 20,-2.0 -3,-0.2 21,-1.0 0.462 72.9 68.4-125.2 -12.9 1.3 -5.5 2.4 18 18 A T E - 0 0 31 4,-2.9 3,-3.0 -2,-0.7 4,-0.3 -0.333 33.6 -93.9 -81.2 168.9 15.8 12.1 3.7 26 26 A A T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.805 125.3 64.7 -51.5 -32.0 16.6 15.7 4.7 27 27 A D T 3 S- 0 0 124 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.657 119.8-111.8 -67.7 -14.1 20.3 14.8 4.2 28 28 A G S < S+ 0 0 48 -3,-3.0 2,-0.3 1,-0.3 -2,-0.2 0.695 75.6 129.6 89.2 22.1 19.4 14.3 0.5 29 29 A N - 0 0 92 -4,-0.3 -4,-2.9 -6,-0.1 2,-0.8 -0.816 61.1-121.2-111.8 150.4 20.0 10.6 0.6 30 30 A W E -B 24 0A 78 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.795 32.6-176.4 -91.6 109.3 17.8 7.7 -0.6 31 31 A V E -B 23 0A 53 -8,-2.6 -8,-3.2 -2,-0.8 2,-0.7 -0.914 25.0-128.5-109.9 129.4 17.0 5.4 2.3 32 32 A T E +B 22 0A 87 -2,-0.5 2,-0.3 -10,-0.3 -10,-0.2 -0.656 37.7 171.9 -79.0 113.2 14.9 2.3 1.8 33 33 A S E -B 21 0A 25 -12,-2.0 -12,-1.7 -2,-0.7 2,-0.4 -0.850 19.8-148.8-121.2 157.3 12.1 2.2 4.3 34 34 A E E -B 20 0A 80 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.992 9.2-173.6-131.8 132.3 9.1 -0.1 4.7 35 35 A L E -B 19 0A 27 -16,-1.3 -16,-2.7 -2,-0.4 2,-0.8 -0.984 21.5-135.3-124.9 132.6 5.6 0.7 6.1 36 36 A D E > +B 18 0A 71 -2,-0.4 3,-0.7 -18,-0.2 -18,-0.2 -0.780 21.5 177.6 -91.5 109.9 2.9 -1.9 6.6 37 37 A L G >> + 0 0 1 -20,-2.0 4,-2.0 -2,-0.8 3,-2.0 0.660 69.2 83.7 -83.5 -16.0 -0.4 -0.7 5.3 38 38 A D G 34 S+ 0 0 11 -21,-1.0 16,-3.7 1,-0.3 -1,-0.2 0.590 83.5 64.3 -63.2 -8.5 -2.1 -4.0 6.3 39 39 A T G <4 S+ 0 0 79 -3,-0.7 -1,-0.3 14,-0.2 -2,-0.2 0.705 118.1 20.5 -87.1 -22.4 -2.4 -2.5 9.7 40 40 A C T <4 S+ 0 0 25 -3,-2.0 11,-3.1 -4,-0.1 2,-0.4 0.423 113.3 76.3-125.6 -5.0 -4.8 0.3 8.6 41 41 A I E < +C 50 0B 0 -4,-2.0 14,-1.5 9,-0.2 2,-0.3 -0.924 53.8 165.1-113.7 136.2 -6.2 -1.1 5.3 42 42 A G E +C 49 0B 5 7,-1.6 7,-0.7 -2,-0.4 10,-0.2 -0.978 22.3 171.2-146.6 157.3 -8.8 -3.7 5.1 43 43 A N > + 0 0 0 -2,-0.3 3,-1.4 10,-0.3 5,-0.1 -0.037 28.8 137.1-159.5 46.3 -11.3 -5.2 2.6 44 44 A P T 3 S+ 0 0 45 0, 0.0 34,-0.5 0, 0.0 4,-0.1 0.719 82.0 51.4 -70.8 -19.2 -13.0 -8.4 4.1 45 45 A N T 3 S- 0 0 127 2,-0.3 32,-0.2 32,-0.1 3,-0.1 0.382 127.8 -98.2 -96.5 1.9 -16.3 -7.2 2.6 46 46 A G S < S+ 0 0 1 -3,-1.4 2,-0.4 1,-0.3 38,-0.2 0.563 93.5 107.1 92.9 8.4 -14.8 -6.7 -0.8 47 47 A F - 0 0 146 29,-0.1 -2,-0.3 39,-0.1 -1,-0.3 -0.982 60.8-137.0-125.9 134.5 -14.3 -2.9 -0.3 48 48 A L + 0 0 25 -2,-0.4 2,-0.3 -5,-0.1 -5,-0.2 -0.591 42.8 115.5 -88.6 147.3 -11.0 -1.1 0.2 49 49 A G E -C 42 0B 27 -7,-0.7 -7,-1.6 -2,-0.2 2,-0.5 -0.961 60.8 -75.1 172.2 175.3 -10.5 1.7 2.7 50 50 A W E S+C 41 0B 70 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.815 96.6 50.9 -97.7 130.3 -8.7 2.9 5.8 51 51 A G S S+ 0 0 65 -11,-3.1 -10,-0.2 1,-0.8 -1,-0.1 -0.371 88.8 71.0 147.3 -60.8 -9.9 1.5 9.1 52 52 A M S S- 0 0 107 -10,-0.2 -1,-0.8 -12,-0.1 2,-0.3 -0.240 70.8-139.4 -77.8 171.6 -10.0 -2.3 9.0 53 53 A Q + 0 0 103 1,-0.2 -10,-0.3 -13,-0.1 -14,-0.2 -0.839 66.9 46.2-132.2 171.2 -6.8 -4.3 8.8 54 54 A N > + 0 0 64 -16,-3.7 3,-1.1 -2,-0.3 4,-0.2 0.891 53.1 160.2 65.3 45.7 -5.4 -7.4 7.1 55 55 A F G > + 0 0 0 -14,-1.5 3,-2.0 1,-0.3 -13,-0.1 0.821 68.1 68.0 -65.7 -30.0 -6.6 -6.4 3.7 56 56 A S G > S+ 0 0 15 1,-0.3 3,-1.0 -15,-0.2 -1,-0.3 0.800 92.3 61.4 -59.5 -26.8 -4.0 -8.8 2.2 57 57 A H G < S+ 0 0 113 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.615 113.6 34.2 -76.0 -13.6 -6.0 -11.6 3.7 58 58 A S G < S+ 0 0 7 -3,-2.0 18,-2.2 -4,-0.2 2,-0.3 -0.056 109.8 74.7-131.7 32.2 -9.0 -10.6 1.5 59 59 A S E < -D 75 0C 11 -3,-1.0 2,-0.3 16,-0.3 3,-0.2 -0.986 54.7-156.5-145.6 154.1 -7.3 -9.4 -1.6 60 60 A E E S+D 74 0C 74 14,-1.7 14,-3.3 -2,-0.3 -3,-0.0 -0.962 70.3 20.2-131.5 148.8 -5.5 -10.8 -4.7 61 61 A D E S- 0 0 117 -2,-0.3 2,-0.7 12,-0.2 -1,-0.2 0.969 72.6-167.1 60.3 59.7 -2.9 -9.3 -7.1 62 62 A I E + 0 0 28 -47,-0.2 2,-0.3 -3,-0.2 11,-0.2 -0.698 24.1 141.9 -83.5 113.8 -1.7 -6.5 -4.9 63 63 A K E -D 72 0C 145 9,-2.9 9,-3.3 -2,-0.7 2,-0.4 -0.987 52.5-101.6-149.7 154.7 0.4 -4.1 -6.9 64 64 A L E -D 71 0C 19 -2,-0.3 3,-0.3 7,-0.3 7,-0.3 -0.658 28.1-174.3 -82.6 130.7 0.9 -0.3 -7.0 65 65 A E S S+ 0 0 116 5,-2.3 2,-0.5 -2,-0.4 -1,-0.2 0.940 82.5 42.7 -88.1 -58.5 -0.9 1.5 -9.9 66 66 A E S > S- 0 0 104 4,-0.5 3,-1.1 1,-0.1 -1,-0.2 -0.041 124.6 -95.3 -80.9 33.8 0.3 5.1 -9.7 67 67 A G T 3 S- 0 0 53 -2,-0.5 -57,-0.5 -3,-0.3 -1,-0.1 0.499 99.5 -25.4 67.4 2.1 3.8 3.8 -9.0 68 68 A G T 3 S+ 0 0 0 2,-0.4 -1,-0.3 -59,-0.1 -64,-0.2 0.224 121.7 90.0 145.4 -15.0 3.2 4.2 -5.3 69 69 A R S < S+ 0 0 86 -3,-1.1 21,-2.7 1,-0.2 2,-0.3 0.701 100.9 25.2 -79.7 -18.5 0.5 6.9 -5.0 70 70 A K E - E 0 89C 56 19,-0.3 -5,-2.3 20,-0.1 -4,-0.5 -0.997 68.3-146.3-149.2 140.2 -2.1 4.2 -5.3 71 71 A L E -DE 64 88C 0 17,-3.2 17,-3.1 -2,-0.3 2,-0.4 -0.928 17.2-163.0-109.5 124.3 -2.3 0.5 -4.5 72 72 A T E +DE 63 87C 13 -9,-3.3 -9,-2.9 -2,-0.5 2,-0.3 -0.901 22.7 141.4-111.4 137.0 -4.6 -1.7 -6.7 73 73 A C E - E 0 86C 0 13,-1.4 13,-2.1 -2,-0.4 -12,-0.2 -0.970 51.7-101.4-161.6 164.1 -5.8 -5.2 -5.8 74 74 A R E -D 60 0C 70 -14,-3.3 -14,-1.7 -2,-0.3 2,-0.5 -0.845 32.2-147.1 -99.9 103.3 -8.8 -7.4 -6.1 75 75 A P E -D 59 0C 0 0, 0.0 9,-0.9 0, 0.0 2,-0.4 -0.583 23.7-175.9 -70.0 116.0 -10.7 -7.5 -2.7 76 76 A K B -F 83 0D 41 -18,-2.2 -30,-0.2 -2,-0.5 7,-0.2 -0.927 30.1-107.7-119.3 141.6 -12.3 -10.9 -2.5 77 77 A T >> - 0 0 15 5,-1.9 4,-2.8 -2,-0.4 3,-1.4 -0.481 18.8-141.5 -67.6 132.6 -14.6 -12.2 0.2 78 78 A V T 34 S+ 0 0 107 -34,-0.5 -1,-0.2 1,-0.3 -33,-0.1 0.623 94.4 79.5 -68.6 -14.2 -12.8 -14.7 2.4 79 79 A D T 34 S- 0 0 134 3,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.807 129.3 -22.8 -64.5 -28.0 -16.0 -16.7 2.5 80 80 A G T <4 S- 0 0 54 -3,-1.4 -2,-0.2 2,-0.2 -1,-0.1 0.451 88.9-100.3-155.1 -26.7 -15.1 -18.1 -1.0 81 81 A G S < S+ 0 0 17 -4,-2.8 2,-0.3 1,-0.4 -3,-0.2 0.614 79.6 125.2 102.9 18.6 -12.7 -15.8 -2.8 82 82 A F + 0 0 104 -5,-0.5 -5,-1.9 -6,-0.0 -1,-0.4 -0.863 26.7 92.7-112.4 145.5 -15.2 -14.1 -5.0 83 83 A R B -F 76 0D 119 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.912 65.5 -57.2 173.9-145.3 -15.9 -10.4 -5.3 84 84 A E - 0 0 131 -9,-0.9 2,-0.2 -2,-0.3 0, 0.0 -0.859 44.0-109.0-128.6 160.3 -14.9 -7.3 -7.3 85 85 A R + 0 0 131 -2,-0.3 -11,-0.2 -11,-0.2 2,-0.2 -0.592 43.6 158.3 -89.5 155.0 -11.6 -5.5 -8.1 86 86 A Q E -E 73 0C 56 -13,-2.1 -13,-1.4 -2,-0.2 2,-0.3 -0.825 26.7-135.9-155.3-169.6 -10.7 -2.2 -6.6 87 87 A G E -E 72 0C 36 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.3 -0.948 6.3-154.4-163.1 143.0 -7.9 0.3 -5.7 88 88 A I E -E 71 0C 9 -17,-3.1 -17,-3.2 -2,-0.3 2,-0.2 -0.984 20.7-126.1-127.2 132.6 -7.0 2.5 -2.8 89 89 A D E -E 70 0C 75 -2,-0.4 2,-0.5 -19,-0.3 -19,-0.3 -0.520 12.1-145.6 -75.2 141.3 -4.9 5.7 -2.8 90 90 A L + 0 0 0 -21,-2.7 3,-0.3 -2,-0.2 -87,-0.3 -0.488 53.7 130.5-107.3 61.7 -1.9 5.8 -0.5 91 91 A N + 0 0 73 -2,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.417 67.3 64.7 -90.9 -0.1 -2.0 9.4 0.4 92 92 A R S S+ 0 0 107 -3,-0.2 11,-3.2 11,-0.1 2,-0.8 0.579 80.4 89.1 -96.0 -15.5 -1.7 8.5 4.1 93 93 A I E +G 102 0E 0 -3,-0.3 -90,-2.3 9,-0.2 -89,-0.2 -0.771 61.0 176.1 -89.9 110.0 1.7 6.9 3.8 94 94 A Q E -G 101 0E 48 7,-2.2 7,-2.4 -2,-0.8 2,-0.5 -0.662 27.3-135.7-111.2 167.2 4.3 9.6 4.3 95 95 A N E -G 100 0E 33 5,-0.3 2,-0.6 -2,-0.2 5,-0.3 -0.965 18.1-173.1-126.7 112.4 8.0 9.8 4.5 96 96 A V E > S-G 99 0E 63 3,-3.1 3,-2.3 -2,-0.5 -71,-0.1 -0.930 75.7 -20.6-111.6 116.7 9.6 11.8 7.3 97 97 A N T 3 S- 0 0 93 -2,-0.6 -72,-0.3 1,-0.3 -1,-0.2 0.837 129.0 -52.1 56.3 35.1 13.4 12.2 7.2 98 98 A G T 3 S+ 0 0 0 -74,-0.4 2,-0.6 1,-0.2 -75,-0.3 0.300 115.5 119.2 87.0 -10.3 13.6 9.2 5.0 99 99 A R E < -G 96 0E 142 -3,-2.3 -3,-3.1 -75,-0.1 2,-0.6 -0.801 62.0-136.0 -94.1 123.1 11.5 7.1 7.5 100 100 A L E +G 95 0E 10 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.3 -0.670 34.3 169.6 -79.7 119.2 8.2 5.8 6.1 101 101 A V E -G 94 0E 68 -7,-2.4 -7,-2.2 -2,-0.6 2,-0.4 -0.973 36.7-112.4-133.2 145.6 5.4 6.4 8.6 102 102 A F E G 93 0E 70 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.0 -0.627 360.0 360.0 -78.2 129.7 1.6 6.1 8.4 103 103 A Q 0 0 140 -11,-3.2 -10,-0.2 -2,-0.4 -1,-0.2 0.426 360.0 360.0-134.2 360.0 -0.1 9.4 8.8