==== 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 4J4E . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR L.M.I.KOHARUDIN,L.LIU,A.M.GRONENBORN . 606 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31502.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 73.6 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 . 251 41.4 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 . 14 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 18 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 . 91 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 5.0 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 4 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 . 5 1 3 9 12 0 11 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 . 6 18 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 29 0, 0.0 2,-0.7 0, 0.0 192,-0.2 0.000 360.0 360.0 360.0 116.7 -11.4 19.7 -40.8 2 2 A G + 0 0 10 190,-0.3 193,-0.5 1,-0.2 189,-0.2 -0.753 360.0 157.8 80.4-113.6 -8.7 21.2 -38.7 3 3 A K B +A 194 0A 98 187,-2.0 4,-0.3 -2,-0.7 3,-0.3 0.855 13.9 146.7 62.5 43.4 -5.8 18.7 -38.8 4 4 A F >> + 0 0 0 189,-1.2 3,-1.9 1,-0.2 4,-0.8 0.889 60.4 64.4 -75.5 -41.7 -2.9 21.1 -37.8 5 5 A S T 34 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.716 94.3 64.1 -57.4 -24.3 -0.7 18.6 -35.9 6 6 A Q T 34 S+ 0 0 139 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.763 117.0 26.1 -68.0 -29.6 -0.2 16.6 -39.1 7 7 A T T <4 S+ 0 0 33 -3,-1.9 16,-2.4 -4,-0.3 2,-0.3 0.244 115.5 72.4-120.1 7.9 1.6 19.6 -40.7 8 8 A a E < -C 22 0B 6 -4,-0.8 2,-0.3 14,-0.2 14,-0.2 -0.953 54.9-170.6-127.5 148.9 3.0 21.4 -37.6 9 9 A Y E +C 21 0B 152 12,-2.5 12,-2.2 -2,-0.3 -3,-0.0 -0.893 60.4 36.2-131.6 160.4 5.8 20.6 -35.1 10 10 A N E S- 0 0 145 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.899 72.3-180.0 67.6 46.4 6.9 22.0 -31.8 11 11 A S E + 0 0 30 -3,-0.1 2,-0.3 9,-0.1 9,-0.2 -0.570 6.8 172.2 -85.4 141.4 3.5 22.9 -30.3 12 12 A A E -C 19 0B 56 7,-2.2 7,-2.8 -2,-0.2 2,-0.6 -0.997 25.1-143.2-145.5 147.8 3.0 24.4 -26.9 13 13 A I E -C 18 0B 20 -2,-0.3 2,-0.7 5,-0.2 152,-0.3 -0.952 15.1-174.7-112.4 115.3 0.1 25.9 -24.8 14 14 A Q E > -C 17 0B 160 3,-2.9 3,-1.8 -2,-0.6 2,-1.3 -0.916 68.0 -51.5-113.1 104.1 1.0 28.9 -22.7 15 15 A G T 3 S- 0 0 35 -2,-0.7 -2,-0.0 148,-0.4 3,-0.0 -0.598 125.2 -22.0 69.1 -95.0 -2.0 29.9 -20.6 16 16 A S T 3 S+ 0 0 10 -2,-1.3 20,-2.3 2,-0.0 2,-0.5 0.170 118.5 98.0-130.2 8.7 -4.7 30.1 -23.3 17 17 A V E < -CD 14 35B 50 -3,-1.8 -3,-2.9 18,-0.2 2,-0.4 -0.907 56.0-155.1-112.2 127.3 -2.4 30.6 -26.3 18 18 A L E -CD 13 34B 0 16,-2.3 16,-1.8 -2,-0.5 2,-0.4 -0.872 11.2-170.7-101.2 133.4 -1.2 27.8 -28.6 19 19 A T E +CD 12 33B 42 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.3 -0.980 13.3 157.6-127.9 138.5 2.0 28.2 -30.6 20 20 A S E - D 0 32B 0 12,-2.1 12,-2.4 -2,-0.4 2,-0.6 -0.981 40.5-120.7-154.4 158.4 3.3 26.0 -33.4 21 21 A T E -CD 9 31B 30 -12,-2.2 -12,-2.5 -2,-0.3 2,-0.3 -0.934 39.3-172.7-107.9 113.0 5.6 25.8 -36.4 22 22 A a E -CD 8 30B 0 8,-3.1 8,-2.7 -2,-0.6 -14,-0.2 -0.826 22.4-114.9-115.9 144.4 3.6 24.9 -39.5 23 23 A E E - D 0 29B 70 -16,-2.4 175,-0.9 -2,-0.3 6,-0.2 -0.322 28.9-128.2 -69.6 153.1 4.5 24.1 -43.1 24 24 A R > - 0 0 110 4,-1.6 3,-1.5 173,-0.2 4,-0.1 -0.638 25.4-106.2 -99.7 164.0 3.6 26.4 -45.9 25 25 A T T 3 S+ 0 0 101 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.783 117.9 30.2 -62.1 -29.6 1.7 25.3 -49.1 26 26 A N T 3 S- 0 0 163 1,-0.4 -1,-0.3 171,-0.0 2,-0.1 -0.074 128.2 -68.2-124.5 33.8 4.8 25.5 -51.3 27 27 A G S < S+ 0 0 53 -3,-1.5 -1,-0.4 1,-0.2 2,-0.1 -0.065 86.5 75.2 101.0 160.3 7.6 24.7 -48.8 28 28 A G - 0 0 48 -3,-0.1 -4,-1.6 -4,-0.1 2,-0.3 -0.247 67.1 -97.9 90.5 176.4 9.2 26.4 -45.8 29 29 A Y E -D 23 0B 130 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.977 23.3-160.7-137.0 149.8 7.9 26.7 -42.2 30 30 A N E -D 22 0B 52 -8,-2.7 -8,-3.1 -2,-0.3 2,-0.4 -0.986 11.1-145.8-136.2 124.0 6.2 29.4 -40.2 31 31 A T E +D 21 0B 89 -2,-0.4 2,-0.3 -10,-0.3 -10,-0.2 -0.728 35.3 159.0 -81.9 131.3 5.9 29.8 -36.5 32 32 A S E -D 20 0B 20 -12,-2.4 -12,-2.1 -2,-0.4 2,-0.3 -0.972 26.8-137.4-151.3 167.0 2.5 31.4 -35.4 33 33 A S E -D 19 0B 71 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.851 8.6-170.9-127.8 159.0 0.1 31.7 -32.5 34 34 A I E -D 18 0B 33 -16,-1.8 -16,-2.3 -2,-0.3 2,-0.7 -0.921 22.3-134.4-151.9 125.7 -3.7 31.6 -31.7 35 35 A D E > -D 17 0B 80 -2,-0.3 3,-0.9 -18,-0.2 -18,-0.2 -0.711 15.0-166.9 -82.3 111.9 -5.6 32.5 -28.5 36 36 A L G >> + 0 0 0 -20,-2.3 4,-1.8 -2,-0.7 3,-1.3 0.445 67.4 93.3 -80.3 -0.9 -8.1 29.7 -27.9 37 37 A N G 34 S+ 0 0 34 -21,-0.4 -1,-0.2 1,-0.3 119,-0.2 0.721 84.4 51.2 -65.7 -23.7 -10.0 31.7 -25.3 38 38 A S G <4 S+ 0 0 86 -3,-0.9 -1,-0.3 1,-0.1 -2,-0.1 0.436 118.1 35.0 -96.0 -1.2 -12.5 32.9 -27.9 39 39 A V T <4 S+ 0 0 23 -3,-1.3 11,-2.3 1,-0.2 2,-0.4 0.492 110.5 61.0-126.8 -14.7 -13.3 29.4 -29.4 40 40 A I E < +E 49 0C 0 -4,-1.8 116,-0.5 9,-0.2 2,-0.3 -0.947 60.6 178.4-119.4 139.8 -13.2 27.1 -26.3 41 41 A E E -E 48 0C 7 7,-2.5 7,-1.9 -2,-0.4 2,-0.8 -0.897 33.7-108.4-135.6 165.3 -15.4 27.4 -23.2 42 42 A N E +EF 47 154C 4 112,-3.3 112,-2.1 -2,-0.3 2,-0.7 -0.831 35.5 177.8 -98.3 99.6 -16.0 25.6 -19.9 43 43 A V S S- 0 0 24 3,-2.0 3,-0.3 -2,-0.8 110,-0.1 -0.853 71.5 -33.6-108.6 99.9 -19.4 23.8 -20.0 44 44 A D S S- 0 0 76 -2,-0.7 133,-0.2 1,-0.2 -1,-0.2 0.832 123.4 -45.9 63.2 38.7 -20.2 21.8 -16.7 45 45 A G S S+ 0 0 0 131,-0.7 2,-0.4 1,-0.2 130,-0.3 0.683 120.5 106.4 77.7 20.2 -16.5 20.9 -16.1 46 46 A S - 0 0 41 -3,-0.3 -3,-2.0 130,-0.2 -1,-0.2 -0.964 69.3-128.8-134.8 118.5 -15.9 19.9 -19.7 47 47 A L E +E 42 0C 9 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.380 40.4 168.0 -57.8 134.7 -13.9 21.9 -22.3 48 48 A K E -E 41 0C 111 -7,-1.9 -7,-2.5 139,-0.1 2,-0.4 -0.974 43.7 -96.0-147.4 157.9 -15.9 22.3 -25.5 49 49 A W E -E 40 0C 38 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.692 51.4-125.6 -71.7 127.9 -16.0 24.3 -28.7 50 50 A Q - 0 0 57 -11,-2.3 -1,-0.1 -2,-0.4 102,-0.0 -0.404 19.9-134.7 -83.1 154.9 -18.2 27.3 -28.1 51 51 A G - 0 0 22 1,-0.2 2,-0.3 -2,-0.1 94,-0.3 0.125 29.2 -74.6 -89.8-155.4 -21.2 28.1 -30.3 52 52 A S B -G 144 0D 58 92,-3.3 92,-3.5 1,-0.0 2,-0.3 -0.724 46.5 -93.0-104.8 153.9 -22.6 31.3 -31.8 53 53 A N >> - 0 0 49 -2,-0.3 4,-0.9 90,-0.2 3,-0.9 -0.533 41.2-142.8 -55.1 124.7 -24.4 34.3 -30.4 54 54 A F H 3> S+ 0 0 0 88,-0.5 4,-0.8 -2,-0.3 -1,-0.1 0.638 92.0 62.9 -80.5 -12.5 -27.9 33.2 -31.0 55 55 A I H 34 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.567 108.9 42.7 -90.0 -9.9 -29.4 36.5 -31.9 56 56 A E H <4 S+ 0 0 143 -3,-0.9 -2,-0.2 3,-0.0 -1,-0.2 0.631 122.9 36.6-100.0 -25.5 -27.1 36.7 -35.0 57 57 A T H < S+ 0 0 26 -4,-0.9 17,-2.7 17,-0.0 2,-0.3 0.312 109.6 59.5-117.4 7.3 -27.6 33.1 -36.1 58 58 A b E < -I 73 0E 17 -4,-0.8 2,-0.3 15,-0.3 15,-0.3 -0.879 62.7-148.0-129.5 164.6 -31.2 32.3 -35.3 59 59 A R E +I 72 0E 107 13,-2.5 13,-2.2 -2,-0.3 -3,-0.0 -0.923 66.4 21.0-130.3 159.4 -34.6 33.7 -36.4 60 60 A N E - 0 0 100 -2,-0.3 -1,-0.2 11,-0.2 2,-0.1 0.894 68.5-165.5 53.3 53.7 -38.1 34.1 -34.9 61 61 A T E + 0 0 28 -3,-0.1 56,-0.3 10,-0.1 2,-0.3 -0.426 22.1 153.9 -65.7 142.1 -37.2 33.9 -31.2 62 62 A Q E -I 70 0E 103 8,-1.7 8,-3.3 54,-0.1 2,-0.5 -0.991 46.8-100.4-166.1 156.9 -40.3 33.4 -29.0 63 63 A L E -I 69 0E 44 -2,-0.3 2,-0.4 52,-0.3 6,-0.2 -0.773 32.6-165.4 -85.4 130.3 -41.7 32.0 -25.8 64 64 A A E > -I 68 0E 21 4,-2.8 4,-2.1 -2,-0.5 3,-0.4 -0.975 59.7 -26.4-114.8 134.4 -43.4 28.6 -26.1 65 65 A G T 4 S- 0 0 71 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.428 112.7 -45.8 64.1-134.5 -45.6 27.5 -23.3 66 66 A S T 4 S+ 0 0 71 -2,-0.1 -1,-0.2 46,-0.0 47,-0.1 0.734 134.7 12.3-100.8 -29.9 -44.7 29.0 -19.9 67 67 A S T 4 S+ 0 0 3 -3,-0.4 326,-3.0 39,-0.0 2,-0.5 0.270 91.8 113.7-136.9 8.6 -40.9 28.6 -19.9 68 68 A E E < -IJ 64 392E 60 -4,-2.1 -4,-2.8 324,-0.2 2,-0.7 -0.765 47.6-151.1-101.9 128.6 -39.5 27.7 -23.3 69 69 A L E -IJ 63 391E 0 322,-2.9 322,-1.7 -2,-0.5 2,-0.4 -0.838 24.8-171.4 -86.8 118.8 -37.3 29.7 -25.6 70 70 A A E +IJ 62 390E 5 -8,-3.3 -8,-1.7 -2,-0.7 2,-0.3 -0.939 14.6 148.1-115.7 138.7 -38.0 28.6 -29.2 71 71 A A E - J 0 389E 6 318,-2.6 318,-3.4 -2,-0.4 2,-0.7 -0.962 48.2-117.7-151.8 163.8 -36.2 29.6 -32.3 72 72 A E E -IJ 59 388E 51 -13,-2.2 -13,-2.5 -2,-0.3 2,-0.3 -0.961 46.0-168.5-104.8 108.6 -35.1 28.4 -35.8 73 73 A b E -IJ 58 387E 0 314,-2.1 314,-2.7 -2,-0.7 -15,-0.3 -0.778 16.9-116.9-105.0 147.8 -31.3 28.4 -35.5 74 74 A K E - J 0 386E 55 -17,-2.7 73,-1.0 -2,-0.3 312,-0.2 -0.520 22.3-129.2 -83.7 142.2 -28.6 27.9 -38.2 75 75 A T - 0 0 32 310,-1.5 72,-0.1 71,-0.2 3,-0.1 -0.157 56.3 -50.0 -73.1 173.2 -26.1 25.1 -38.4 76 76 A R S S- 0 0 112 1,-0.1 -1,-0.2 307,-0.1 309,-0.1 -0.204 73.6-100.4 -43.6 132.3 -22.3 25.6 -38.8 77 77 A A - 0 0 56 -3,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.256 36.3-109.7 -60.2 146.5 -21.6 28.0 -41.7 78 78 A Q + 0 0 91 -3,-0.1 2,-0.3 302,-0.1 -1,-0.1 -0.674 48.7 158.0 -82.8 127.3 -20.6 26.5 -45.1 79 79 A Q - 0 0 65 -2,-0.4 302,-2.0 300,-0.1 2,-0.4 -0.945 43.4-103.9-140.9 162.8 -17.0 27.0 -46.1 80 80 A F E -K 380 0F 76 -2,-0.3 2,-0.4 300,-0.2 300,-0.2 -0.773 39.9-171.2 -87.1 133.9 -14.4 25.5 -48.4 81 81 A V E -K 379 0F 2 298,-2.0 298,-3.1 -2,-0.4 2,-0.3 -0.980 24.8-115.9-131.6 138.4 -11.8 23.4 -46.7 82 82 A S E +K 378 0F 93 -2,-0.4 2,-0.3 296,-0.2 296,-0.2 -0.542 43.4 166.8 -71.7 134.4 -8.5 21.8 -47.8 83 83 A T E -K 377 0F 16 294,-2.0 294,-1.9 -2,-0.3 2,-0.3 -0.926 18.4-160.5-146.2 163.0 -8.5 18.0 -47.7 84 84 A K E -K 376 0F 113 -2,-0.3 2,-0.3 292,-0.2 292,-0.2 -0.989 2.7-168.2-148.7 149.4 -6.5 15.1 -48.9 85 85 A I E -K 375 0F 12 290,-1.6 290,-2.4 -2,-0.3 2,-0.7 -0.994 28.5-119.6-142.0 133.0 -7.0 11.3 -49.5 86 86 A N E > -K 374 0F 61 -2,-0.3 3,-0.9 288,-0.2 4,-0.3 -0.641 18.8-166.2 -75.9 111.2 -4.3 8.7 -50.2 87 87 A L G >> S+ 0 0 0 286,-1.9 4,-2.0 -2,-0.7 3,-0.7 0.641 83.0 72.8 -72.9 -15.5 -5.2 7.1 -53.6 88 88 A D G 34 S+ 0 0 21 1,-0.2 221,-2.5 2,-0.2 -1,-0.2 0.841 79.3 77.8 -64.6 -31.8 -2.7 4.3 -52.9 89 89 A D G <4 S- 0 0 63 -3,-0.9 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