==== 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 4J4D . COMPND 2 MOLECULE: CYANOVIRIN-N; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR L.M.I.KOHARUDIN,L.LIU,A.M.GRONENBORN . 404 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 175 43.3 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 . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 55 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 5.4 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 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 PARALLEL BRIDGES PER LADDER . 3 3 0 8 8 0 8 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 12 0 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 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 0 117 0, 0.0 396,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 127.8 13.6 0.1 6.8 2 2 A G + 0 0 11 394,-0.3 397,-0.4 1,-0.1 393,-0.2 -0.445 360.0 141.3 74.9-135.5 15.9 2.8 5.7 3 3 A K > + 0 0 107 391,-2.3 3,-1.5 -2,-0.2 4,-0.4 0.702 17.9 151.9 57.8 30.7 18.2 2.0 2.8 4 4 A F G >> + 0 0 0 393,-2.5 3,-1.5 1,-0.2 4,-0.9 0.841 64.3 66.4 -48.1 -36.7 17.9 5.5 1.2 5 5 A S G 34 S+ 0 0 21 1,-0.3 -1,-0.2 392,-0.3 6,-0.1 0.700 87.7 66.2 -73.0 -15.7 21.4 5.1 -0.3 6 6 A Q G <4 S+ 0 0 146 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.736 118.2 22.3 -70.0 -26.4 20.4 2.3 -2.6 7 7 A T T <4 S+ 0 0 63 -3,-1.5 16,-2.5 -4,-0.4 2,-0.3 0.195 117.4 72.2-126.3 8.1 18.1 4.6 -4.7 8 8 A a E < +A 22 0A 11 -4,-0.9 2,-0.3 14,-0.2 14,-0.3 -0.846 54.3 177.0-120.9 161.9 19.6 8.0 -3.9 9 9 A Y E +A 21 0A 126 12,-2.9 12,-2.5 -2,-0.3 -3,-0.0 -0.964 53.1 50.4-156.9 173.2 22.9 9.7 -4.9 10 10 A N E S+ 0 0 128 -2,-0.3 2,-0.2 10,-0.2 -1,-0.1 0.902 73.8 176.8 59.5 42.7 25.0 12.9 -4.7 11 11 A S E + 0 0 32 9,-0.1 2,-0.3 -3,-0.1 9,-0.2 -0.489 8.6 177.7 -82.5 150.4 24.5 12.8 -0.9 12 12 A A E -A 19 0A 49 7,-2.0 7,-2.4 -2,-0.2 2,-0.4 -0.988 20.5-144.6-152.3 144.0 26.2 15.3 1.4 13 13 A I E +A 18 0A 16 -2,-0.3 2,-0.4 5,-0.2 356,-0.2 -0.956 14.8 176.7-113.0 133.5 26.3 16.1 5.2 14 14 A Q E > S-A 17 0A 159 3,-2.0 3,-2.0 -2,-0.4 2,-0.4 -0.921 71.5 -49.6-133.5 101.8 26.5 19.7 6.4 15 15 A G T 3 S- 0 0 28 -2,-0.4 350,-0.0 352,-0.3 20,-0.0 -0.575 124.0 -22.1 70.1-121.3 26.4 19.7 10.3 16 16 A S T 3 S+ 0 0 11 -2,-0.4 20,-2.8 -3,-0.1 2,-0.5 0.426 116.1 104.1 -96.3 1.0 23.4 17.5 11.1 17 17 A V E < -AB 14 35A 11 -3,-2.0 -3,-2.0 18,-0.2 2,-0.5 -0.736 51.6-163.1 -95.5 120.6 21.6 17.9 7.7 18 18 A L E -AB 13 34A 0 16,-2.9 16,-2.5 -2,-0.5 2,-0.4 -0.889 8.0-172.2 -98.3 127.0 21.7 15.1 5.1 19 19 A T E +AB 12 33A 44 -7,-2.4 -7,-2.0 -2,-0.5 2,-0.3 -0.949 12.4 164.7-115.7 137.7 20.8 16.2 1.5 20 20 A S E - B 0 32A 0 12,-2.6 12,-2.2 -2,-0.4 2,-0.6 -0.988 37.9-126.1-150.9 158.6 20.4 13.6 -1.3 21 21 A T E -AB 9 31A 15 -12,-2.5 -12,-2.9 -2,-0.3 2,-0.3 -0.948 39.7-173.7-108.4 117.0 19.0 13.2 -4.8 22 22 A a E -AB 8 30A 0 8,-3.0 8,-1.8 -2,-0.6 -14,-0.2 -0.879 26.2-110.2-122.6 144.3 16.5 10.3 -4.8 23 23 A E E - B 0 29A 87 -16,-2.5 379,-0.7 -2,-0.3 6,-0.3 -0.465 32.3-130.7 -73.1 131.4 14.5 8.4 -7.4 24 24 A R > - 0 0 111 4,-2.8 3,-1.2 377,-0.2 378,-0.1 -0.463 21.6-114.0 -70.6 152.0 10.7 8.9 -7.4 25 25 A T T 3 S+ 0 0 105 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.917 116.3 37.2 -50.8 -46.7 8.4 5.8 -7.5 26 26 A N T 3 S- 0 0 159 1,-0.3 -1,-0.2 375,-0.1 2,-0.1 0.212 128.6 -73.0-102.0 22.4 7.1 6.7 -10.9 27 27 A G S < S+ 0 0 43 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.1 -0.088 88.2 59.8 106.0 154.4 10.3 8.0 -12.5 28 28 A G S S- 0 0 40 -3,-0.1 -4,-2.8 -4,-0.1 -1,-0.3 -0.171 71.1 -93.7 79.2-178.4 12.6 11.1 -12.3 29 29 A Y E -B 23 0A 134 -6,-0.3 2,-0.3 -2,-0.0 -6,-0.2 -0.831 23.0-159.9-135.6 161.2 14.4 12.4 -9.3 30 30 A N E -B 22 0A 66 -8,-1.8 -8,-3.0 -2,-0.3 2,-0.5 -0.993 14.4-138.4-146.0 140.3 14.0 14.9 -6.4 31 31 A T E +B 21 0A 75 -2,-0.3 100,-0.5 -10,-0.3 2,-0.3 -0.878 37.3 150.4 -99.6 130.5 16.6 16.5 -4.1 32 32 A S E -B 20 0A 10 -12,-2.2 -12,-2.6 -2,-0.5 2,-0.3 -0.929 27.4-142.6-147.5 172.9 15.6 16.8 -0.4 33 33 A S E -Bc 19 132A 3 98,-2.1 100,-2.2 -2,-0.3 2,-0.3 -0.911 2.5-156.6-137.7 166.4 17.2 16.9 3.0 34 34 A I E -Bc 18 133A 7 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.7 -0.993 18.9-132.1-142.3 140.0 16.6 15.7 6.5 35 35 A D E > -B 17 0A 9 98,-2.5 3,-0.7 -2,-0.3 100,-0.3 -0.847 16.0-168.9 -97.6 114.3 17.9 17.0 9.8 36 36 A L G >> + 0 0 0 -20,-2.8 4,-1.7 -2,-0.7 3,-1.3 0.409 62.6 98.9 -84.6 -2.0 19.3 14.1 11.8 37 37 A N G 34 S+ 0 0 27 1,-0.3 323,-0.4 2,-0.2 -1,-0.2 0.802 83.5 46.3 -60.4 -28.0 19.7 16.1 15.0 38 38 A S G <4 S+ 0 0 35 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.543 119.5 39.2 -89.3 -8.5 16.4 14.8 16.5 39 39 A V T <4 S+ 0 0 19 -3,-1.3 11,-2.2 1,-0.1 2,-0.4 0.533 108.8 57.3-118.9 -9.4 17.0 11.2 15.7 40 40 A I E < -F 49 0B 1 -4,-1.7 320,-0.6 9,-0.3 2,-0.3 -0.944 62.3-178.2-122.8 145.6 20.7 10.6 16.4 41 41 A E E -FG 48 359B 4 7,-2.7 7,-2.8 -2,-0.4 2,-0.7 -0.913 31.0-113.9-136.9 165.2 22.5 11.3 19.7 42 42 A N E -FG 47 358B 1 316,-2.5 316,-3.5 -2,-0.3 2,-0.7 -0.920 28.5-172.6-101.0 110.1 26.0 11.1 21.2 43 43 A V E > S-F 46 0B 32 3,-3.2 3,-2.1 -2,-0.7 314,-0.1 -0.909 74.4 -38.1-105.3 102.4 26.1 8.4 23.9 44 44 A D T 3 S- 0 0 75 -2,-0.7 337,-0.3 1,-0.3 -1,-0.2 0.863 127.0 -38.9 48.9 43.8 29.6 8.6 25.7 45 45 A G T 3 S+ 0 0 1 335,-0.8 334,-0.4 1,-0.2 2,-0.4 0.206 118.3 106.8 98.9 -18.5 31.3 9.4 22.4 46 46 A S E < -F 43 0B 49 -3,-2.1 -3,-3.2 334,-0.1 2,-0.3 -0.822 69.3-127.1 -98.2 136.0 29.4 7.1 20.1 47 47 A L E +F 42 0B 5 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.603 41.7 175.1 -70.5 131.5 26.7 8.3 17.6 48 48 A K E -F 41 0B 108 -7,-2.8 -7,-2.7 -2,-0.3 2,-0.6 -0.970 38.9 -99.3-138.0 157.8 23.5 6.2 18.3 49 49 A W E -F 40 0B 25 -2,-0.3 -9,-0.3 -9,-0.2 -10,-0.0 -0.717 49.3-113.8 -75.0 121.4 20.0 6.1 17.1 50 50 A Q - 0 0 45 -11,-2.2 2,-0.1 -2,-0.6 -1,-0.1 -0.201 32.1-141.7 -51.1 138.0 17.8 8.0 19.6 51 51 A G - 0 0 19 1,-0.1 298,-0.2 298,-0.1 2,-0.2 -0.208 21.6 -89.7 -92.5-168.8 15.4 5.8 21.5 52 52 A S B -H 348 0C 44 296,-2.3 296,-2.8 1,-0.1 2,-0.4 -0.562 45.2 -81.9-102.3 164.7 11.8 6.5 22.6 53 53 A N >> - 0 0 23 -2,-0.2 4,-1.7 294,-0.2 3,-1.0 -0.510 38.6-145.0 -63.3 120.5 10.2 8.0 25.7 54 54 A F H 3> S+ 0 0 0 292,-0.4 4,-1.7 -2,-0.4 -1,-0.2 0.804 96.1 58.5 -67.6 -27.4 10.1 5.2 28.2 55 55 A I H 34 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.831 113.0 43.1 -70.1 -26.6 6.8 6.2 29.8 56 56 A E H <4 S+ 0 0 85 -3,-1.0 -2,-0.2 1,-0.1 -1,-0.2 0.802 123.6 31.6 -84.2 -35.7 5.2 5.9 26.3 57 57 A T H < S+ 0 0 31 -4,-1.7 17,-2.5 17,-0.0 2,-0.3 0.473 112.0 62.4-109.6 1.0 6.8 2.7 25.0 58 58 A b E < -J 73 0D 16 -4,-1.7 2,-0.3 15,-0.3 15,-0.3 -0.822 59.4-161.1-125.1 155.9 7.2 0.6 28.3 59 59 A R E +J 72 0D 115 13,-2.3 13,-2.3 -2,-0.3 -3,-0.0 -0.863 64.1 32.0-131.6 167.5 4.7 -0.7 30.9 60 60 A N E - 0 0 101 -2,-0.3 2,-0.2 11,-0.2 -1,-0.1 0.847 68.6-174.6 53.8 43.5 4.9 -1.9 34.5 61 61 A T E + 0 0 28 -3,-0.1 260,-0.4 10,-0.1 2,-0.3 -0.479 18.3 147.6 -65.8 138.7 7.7 0.4 35.6 62 62 A Q E -J 70 0D 105 8,-2.1 8,-2.9 -2,-0.2 2,-0.5 -0.976 51.8 -90.9-165.2 161.2 8.7 -0.5 39.2 63 63 A L E -J 69 0D 40 -2,-0.3 2,-0.4 256,-0.2 6,-0.2 -0.754 35.4-159.0 -85.1 128.4 11.8 -0.5 41.4 64 64 A A E >> -J 68 0D 25 4,-3.6 4,-2.1 -2,-0.5 3,-0.6 -0.919 64.2 -22.6-102.2 138.6 13.7 -3.8 41.4 65 65 A G T 34 S- 0 0 76 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.387 114.1 -50.9 60.0-140.1 15.9 -4.5 44.4 66 66 A S T 34 S+ 0 0 76 -2,-0.0 -1,-0.2 250,-0.0 251,-0.1 0.584 134.2 18.5-101.9 -14.4 16.9 -1.1 46.1 67 67 A S T <4 S+ 0 0 11 -3,-0.6 20,-2.2 243,-0.0 2,-0.4 0.393 93.6 104.7-138.9 3.4 18.2 0.9 43.2 68 68 A E E < -JK 64 86D 47 -4,-2.1 -4,-3.6 18,-0.2 2,-0.6 -0.799 52.0-145.4-110.0 136.3 17.0 -0.5 39.8 69 69 A L E -JK 63 85D 0 16,-2.7 16,-1.8 -2,-0.4 2,-0.3 -0.839 26.3-176.3 -91.8 121.0 14.3 0.7 37.4 70 70 A A E +JK 62 84D 15 -8,-2.9 -8,-2.1 -2,-0.6 2,-0.3 -0.906 12.7 144.7-117.6 152.7 12.6 -2.3 35.7 71 71 A A E - 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