==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 06-FEB-13 4J4C . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR L.M.I.KOHARUDIN,L.LIU,A.M.GRONENBORN . 101 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 68 67.3 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 . 40 39.6 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 . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 3.0 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 . 13 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 4.0 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 0 0 2 2 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 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 L 0 0 213 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.8 -21.6 0.4 -5.1 2 2 A G + 0 0 75 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.443 360.0 150.0 76.1-128.6 -23.0 3.8 -4.0 3 3 A K > + 0 0 167 -2,-0.2 3,-1.4 1,-0.1 4,-0.4 0.661 17.3 149.6 66.6 21.9 -22.9 6.7 -6.5 4 4 A F G > + 0 0 96 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.823 60.3 71.4 -47.3 -37.2 -26.0 8.5 -5.1 5 5 A S G > S+ 0 0 74 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.777 84.8 67.5 -64.1 -26.1 -24.6 12.0 -6.2 6 6 A Q G < S+ 0 0 163 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.777 114.8 25.9 -59.8 -29.9 -25.1 11.3 -9.9 7 7 A T G < S+ 0 0 71 -3,-1.7 16,-3.0 -4,-0.4 2,-0.3 0.081 114.1 71.7-126.2 24.5 -28.9 11.3 -9.6 8 8 A a E < -A 22 0A 20 -3,-0.9 2,-0.3 14,-0.3 14,-0.2 -0.878 52.2-175.2-131.1 163.8 -29.5 13.5 -6.5 9 9 A Y E +A 21 0A 108 12,-2.3 12,-2.6 -2,-0.3 3,-0.1 -0.919 59.4 46.3-150.1 176.8 -29.1 17.3 -5.8 10 10 A N E S+ 0 0 127 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.838 73.3 175.2 51.2 37.5 -29.4 19.7 -2.8 11 11 A S E + 0 0 55 9,-0.1 2,-0.3 10,-0.1 9,-0.2 -0.440 2.7 173.0 -68.9 142.8 -27.3 17.4 -0.8 12 12 A A E -A 19 0A 58 7,-2.4 7,-2.7 -2,-0.1 2,-0.4 -0.986 24.6-145.2-151.5 150.6 -26.3 18.6 2.7 13 13 A I E +A 18 0A 98 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.963 16.2 174.4-113.8 131.9 -24.6 17.3 5.8 14 14 A Q E > S-A 17 0A 169 3,-2.2 3,-2.3 -2,-0.4 2,-0.2 -0.962 70.6 -42.4-135.5 120.6 -25.6 18.3 9.3 15 15 A G T 3 S- 0 0 73 -2,-0.4 20,-0.0 1,-0.3 0, 0.0 -0.440 124.7 -25.2 57.3-122.6 -23.8 16.4 12.1 16 16 A S T 3 S+ 0 0 29 -2,-0.2 20,-3.4 -3,-0.1 2,-0.6 0.334 116.7 102.9 -98.0 6.4 -23.7 12.8 11.0 17 17 A V E < -AB 14 35A 47 -3,-2.3 -3,-2.2 18,-0.2 2,-0.5 -0.810 52.6-161.1-104.3 122.2 -26.8 13.0 8.8 18 18 A L E -AB 13 34A 28 16,-2.5 16,-2.4 -2,-0.6 2,-0.4 -0.867 10.4-173.6 -92.4 129.0 -26.8 13.3 5.0 19 19 A T E +AB 12 33A 49 -7,-2.7 -7,-2.4 -2,-0.5 2,-0.3 -0.975 12.1 160.8-119.1 139.1 -30.0 14.6 3.3 20 20 A S E - B 0 32A 6 12,-2.2 12,-2.2 -2,-0.4 2,-0.6 -0.987 38.9-124.8-154.6 156.3 -30.5 14.7 -0.5 21 21 A T E -AB 9 31A 19 -12,-2.6 -12,-2.3 -2,-0.3 2,-0.3 -0.941 39.6-168.9-109.4 118.2 -33.2 15.0 -3.1 22 22 A a E -AB 8 30A 33 8,-3.1 8,-2.2 -2,-0.6 -14,-0.3 -0.843 23.3-110.0-123.6 143.3 -33.0 12.0 -5.4 23 23 A E E - B 0 29A 96 -16,-3.0 6,-0.2 -2,-0.3 2,-0.2 -0.495 29.3-143.2 -71.6 132.0 -34.5 10.9 -8.7 24 24 A R > - 0 0 156 4,-2.5 3,-1.4 -2,-0.2 4,-0.0 -0.548 25.5-110.1 -88.7 159.9 -37.0 8.1 -8.6 25 25 A T T 3 S+ 0 0 161 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.908 117.9 49.9 -54.8 -45.8 -37.1 5.5 -11.4 26 26 A N T 3 S- 0 0 132 1,-0.3 -1,-0.3 -3,-0.0 2,-0.0 0.212 124.1 -97.7 -82.6 17.7 -40.5 6.8 -12.7 27 27 A G S < S+ 0 0 33 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 -0.085 85.4 83.5 81.3 169.0 -39.3 10.4 -12.7 28 28 A G S S- 0 0 47 -3,-0.1 -4,-2.5 -5,-0.1 2,-0.3 -0.172 71.1 -97.6 80.2 174.8 -40.0 12.9 -10.0 29 29 A Y E -B 23 0A 120 -6,-0.2 2,-0.3 -2,-0.0 -6,-0.2 -0.824 20.0-158.0-134.7 157.6 -38.0 13.2 -6.8 30 30 A N E -B 22 0A 92 -8,-2.2 -8,-3.1 -2,-0.3 2,-0.4 -0.993 14.0-142.3-136.7 140.0 -37.9 12.2 -3.2 31 31 A T E +B 21 0A 79 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.853 33.6 158.9 -99.3 133.2 -36.0 13.8 -0.3 32 32 A S E -B 20 0A 63 -12,-2.2 -12,-2.2 -2,-0.4 2,-0.3 -0.942 26.5-140.6-146.2 168.5 -34.5 11.4 2.3 33 33 A S E -B 19 0A 75 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.938 5.1-163.5-132.5 152.8 -31.8 11.3 5.0 34 34 A I E -B 18 0A 101 -16,-2.4 -16,-2.5 -2,-0.3 2,-0.7 -0.991 18.8-136.2-136.9 130.5 -29.3 8.7 6.2 35 35 A D E > -B 17 0A 83 -2,-0.4 3,-0.7 -18,-0.2 -18,-0.2 -0.763 13.8-166.2 -88.1 116.5 -27.5 8.8 9.5 36 36 A L G >> + 0 0 35 -20,-3.4 4,-1.7 -2,-0.7 3,-1.3 0.532 65.6 93.7 -83.3 -5.8 -23.8 8.0 8.9 37 37 A N G 34 S+ 0 0 114 1,-0.2 -1,-0.2 -21,-0.2 -20,-0.1 0.786 85.4 51.1 -56.6 -30.8 -22.9 7.3 12.6 38 38 A S G <4 S+ 0 0 88 -3,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.652 119.9 33.0 -81.1 -15.2 -23.5 3.6 12.3 39 39 A V T <4 S+ 0 0 62 -3,-1.3 11,-2.6 -4,-0.2 2,-0.4 0.476 109.0 61.3-123.9 -7.9 -21.3 3.1 9.1 40 40 A I E < -C 49 0B 44 -4,-1.7 2,-0.3 9,-0.3 9,-0.2 -0.979 60.9-174.5-122.4 137.3 -18.4 5.6 9.4 41 41 A E E -C 48 0B 88 7,-3.1 7,-3.0 -2,-0.4 2,-0.8 -0.946 28.4-119.1-130.9 155.4 -15.8 5.7 12.1 42 42 A N E -C 47 0B 113 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.823 29.2-175.8 -88.1 109.8 -12.8 7.8 13.2 43 43 A V E > S-C 46 0B 67 3,-2.9 3,-1.7 -2,-0.8 -2,-0.0 -0.908 73.2 -36.5-108.6 103.3 -9.6 5.7 13.1 44 44 A D T 3 S- 0 0 169 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.849 125.4 -42.4 51.3 42.1 -6.7 7.7 14.5 45 45 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.469 119.4 105.9 88.6 2.1 -8.0 10.9 12.9 46 46 A S E < S-C 43 0B 50 -3,-1.7 -3,-2.9 2,-0.0 2,-0.4 -0.963 70.4-124.7-116.4 130.3 -9.0 9.4 9.5 47 47 A L E +C 42 0B 137 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.587 38.0 179.4 -72.8 125.9 -12.7 8.8 8.5 48 48 A K E -C 41 0B 102 -7,-3.0 -7,-3.1 -2,-0.4 2,-0.4 -0.941 36.3-107.8-128.3 147.0 -13.1 5.1 7.6 49 49 A W E -C 40 0B 193 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.641 52.7-105.9 -67.3 126.7 -16.0 2.9 6.4 50 50 A Q - 0 0 86 -11,-2.6 3,-0.1 -2,-0.4 -1,-0.1 -0.232 47.6 -81.8 -55.9 144.9 -16.8 0.7 9.4 51 51 A G - 0 0 64 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.058 50.4-102.6 -43.9 146.8 -15.7 -3.0 9.1 52 52 A S - 0 0 82 1,-0.2 5,-0.1 -3,-0.1 -1,-0.1 -0.370 67.7 -59.3 -64.2 156.1 -18.0 -5.2 7.1 53 53 A N > - 0 0 124 1,-0.2 3,-2.5 2,-0.1 4,-0.4 -0.147 50.1-129.9 -43.0 128.6 -20.1 -7.5 9.4 54 54 A F G >> S+ 0 0 105 1,-0.3 4,-1.1 2,-0.2 3,-1.0 0.756 104.7 71.1 -56.2 -26.9 -17.6 -9.6 11.4 55 55 A I G 34 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.708 90.1 61.2 -61.7 -18.8 -19.6 -12.7 10.4 56 56 A E G <4 S+ 0 0 153 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 118.5 25.1 -79.9 -25.0 -18.2 -12.3 6.9 57 57 A T T <4 S+ 0 0 50 -3,-1.0 17,-3.0 -4,-0.4 2,-0.3 0.284 117.1 66.0-122.1 4.4 -14.5 -12.7 8.1 58 58 A b E < -D 73 0C 16 -4,-1.1 2,-0.3 15,-0.2 15,-0.2 -0.942 58.9-174.3-127.4 151.4 -15.0 -14.7 11.2 59 59 A R E +D 72 0C 129 13,-2.7 13,-2.5 -2,-0.3 -3,-0.0 -0.862 56.5 38.3-138.0 167.7 -16.3 -18.3 11.7 60 60 A N E - 0 0 81 -2,-0.3 2,-0.2 11,-0.2 -1,-0.2 0.891 68.8-169.1 57.0 47.3 -17.2 -20.7 14.5 61 61 A T E + 0 0 74 -3,-0.1 2,-0.3 10,-0.1 10,-0.2 -0.474 13.6 168.8 -69.8 133.9 -18.8 -18.0 16.8 62 62 A Q E -D 70 0C 111 8,-2.6 8,-3.1 -2,-0.2 2,-0.6 -0.996 41.4-112.6-144.7 149.2 -19.4 -19.4 20.3 63 63 A L E -D 69 0C 116 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.774 31.8-157.7 -77.1 119.9 -20.4 -18.3 23.7 64 64 A A E >> -D 68 0C 38 4,-3.2 4,-2.0 -2,-0.6 3,-0.7 -0.931 58.7 -41.1-103.8 114.3 -17.4 -18.9 26.0 65 65 A G T 34 S- 0 0 70 -2,-0.6 -2,-0.0 1,-0.2 0, 0.0 -0.380 112.3 -32.8 64.1-137.3 -18.5 -19.2 29.6 66 66 A S T 34 S+ 0 0 114 -2,-0.1 -1,-0.2 1,-0.1 -3,-0.0 0.724 135.9 3.1 -89.1 -23.4 -21.2 -16.7 30.7 67 67 A S T <4 S+ 0 0 15 -3,-0.7 20,-2.5 20,-0.0 2,-0.4 0.432 91.4 110.2-149.6 0.3 -20.3 -13.6 28.6 68 68 A E E < -DE 64 86C 40 -4,-2.0 -4,-3.2 18,-0.2 2,-0.6 -0.747 49.7-147.6 -95.0 131.2 -17.4 -14.0 26.1 69 69 A L E -DE 63 85C 37 16,-3.0 16,-2.2 -2,-0.4 2,-0.4 -0.884 23.0-170.4 -86.2 120.7 -17.9 -14.1 22.4 70 70 A A E +DE 62 84C 22 -8,-3.1 -8,-2.6 -2,-0.6 2,-0.3 -0.891 14.9 150.0-110.9 144.0 -15.2 -16.4 20.9 71 71 A A E - E 0 83C 11 12,-2.2 12,-2.5 -2,-0.4 2,-0.6 -0.972 46.9-113.9-158.7 166.4 -14.5 -16.8 17.2 72 72 A E E -DE 59 82C 57 -13,-2.5 -13,-2.7 -2,-0.3 2,-0.3 -0.981 43.1-169.5-105.2 118.0 -11.8 -17.6 14.6 73 73 A b E -DE 58 81C 26 8,-2.5 8,-2.3 -2,-0.6 2,-0.3 -0.893 23.1-112.8-116.7 143.9 -11.2 -14.4 12.6 74 74 A K E - E 0 80C 83 -17,-3.0 6,-0.2 -2,-0.3 2,-0.1 -0.524 27.7-144.1 -70.4 129.5 -9.2 -13.7 9.4 75 75 A T > - 0 0 38 4,-3.0 3,-1.8 -2,-0.3 -1,-0.0 -0.352 33.8-100.3 -79.3 171.2 -6.1 -11.5 9.8 76 76 A R T 3 S+ 0 0 242 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.813 127.7 62.4 -62.5 -28.8 -5.2 -9.0 7.0 77 77 A A T 3 S- 0 0 70 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.295 121.9-113.3 -77.0 8.5 -2.7 -11.6 5.9 78 78 A Q S < S+ 0 0 118 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.648 75.2 126.0 68.4 22.8 -5.7 -13.9 5.3 79 79 A Q - 0 0 100 -6,-0.1 -4,-3.0 0, 0.0 2,-0.4 -0.838 59.7-119.0-108.3 148.7 -5.1 -16.4 8.1 80 80 A F E +E 74 0C 73 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.719 34.0 178.0 -89.6 133.0 -7.6 -17.4 10.8 81 81 A V E -E 73 0C 71 -8,-2.3 -8,-2.5 -2,-0.4 2,-0.3 -0.921 33.3 -99.4-129.6 157.1 -6.6 -16.8 14.5 82 82 A S E +E 72 0C 110 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.538 48.2 164.5 -74.6 135.8 -8.4 -17.3 17.8 83 83 A T E -E 71 0C 66 -12,-2.5 -12,-2.2 -2,-0.3 2,-0.3 -0.985 14.6-173.6-145.6 158.4 -10.0 -14.2 19.3 84 84 A K E -E 70 0C 141 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.993 6.4-163.2-149.5 162.8 -12.5 -13.3 22.0 85 85 A I E -E 69 0C 95 -16,-2.2 -16,-3.0 -2,-0.3 2,-0.9 -0.998 27.3-119.7-145.6 137.3 -14.4 -10.3 23.4 86 86 A N E > -E 68 0C 49 -2,-0.3 3,-1.9 -18,-0.2 4,-0.3 -0.717 17.1-164.2 -82.3 110.2 -16.2 -9.8 26.7 87 87 A L G >> S+ 0 0 69 -20,-2.5 4,-2.8 -2,-0.9 3,-1.2 0.744 85.0 74.1 -67.4 -23.1 -19.9 -9.0 25.8 88 88 A D G 34 S+ 0 0 112 -21,-0.4 -1,-0.3 1,-0.2 -20,-0.1 0.649 80.2 77.0 -59.6 -15.9 -20.3 -7.8 29.5 89 89 A D G <4 S- 0 0 102 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.879 122.0 -4.9 -57.5 -40.9 -18.3 -4.7 28.3 90 90 A H T <4 S+ 0 0 88 -3,-1.2 11,-2.5 -4,-0.3 2,-0.6 0.465 107.6 95.9-140.5 -11.9 -21.3 -3.2 26.5 91 91 A I E < -F 100 0D 62 -4,-2.8 2,-0.3 9,-0.2 9,-0.2 -0.829 52.5-177.1 -94.6 121.2 -24.3 -5.6 26.6 92 92 A A E -F 99 0D 19 7,-3.0 7,-2.4 -2,-0.6 2,-0.8 -0.798 32.3-124.4-113.5 156.3 -26.7 -4.8 29.5 93 93 A N E -F 98 0D 119 -2,-0.3 2,-0.8 5,-0.2 5,-0.2 -0.886 30.0-171.9 -94.0 105.8 -29.9 -6.3 30.8 94 94 A I E > S-F 97 0D 79 3,-2.9 3,-1.7 -2,-0.8 -2,-0.0 -0.870 71.0 -41.4-104.4 102.2 -32.3 -3.4 30.8 95 95 A D T 3 S- 0 0 166 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.849 125.3 -37.6 46.2 46.3 -35.5 -4.6 32.6 96 96 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.350 120.5 101.2 94.8 -3.3 -35.4 -8.1 30.9 97 97 A T E < S-F 94 0D 81 -3,-1.7 -3,-2.9 2,-0.0 2,-0.3 -0.948 72.4-121.5-121.2 132.2 -34.2 -7.0 27.5 98 98 A L E +F 93 0D 142 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.548 40.3 174.3 -69.4 126.0 -30.6 -7.2 26.0 99 99 A K E -F 92 0D 111 -7,-2.4 -7,-3.0 -2,-0.3 2,-0.3 -0.998 29.5-126.1-138.8 138.8 -29.4 -3.7 25.0 100 100 A Y E F 91 0D 163 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.0 -0.615 360.0 360.0 -75.7 136.6 -26.1 -2.3 23.7 101 101 A E 0 0 154 -11,-2.5 -2,-0.0 -2,-0.3 0, 0.0 -0.993 360.0 360.0-135.9 360.0 -24.6 0.7 25.6