==== 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 IMMUNE SYSTEM 15-DEC-98 3EZM . COMPND 2 MOLECULE: PROTEIN (CYANOVIRIN-N); . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC ELLIPSOSPORUM; . AUTHOR F.YANG,A.WLODAWER . 101 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 66 65.3 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 . 12 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.9 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 0 214 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.6 11.4 18.7 21.3 2 2 A G + 0 0 75 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.421 360.0 150.7 68.3-127.5 15.0 18.1 22.3 3 3 A K > + 0 0 166 -2,-0.2 3,-1.4 1,-0.1 4,-0.4 0.668 18.7 148.3 68.9 22.5 17.4 16.6 19.8 4 4 A F G > + 0 0 95 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.851 59.9 70.0 -54.9 -37.2 20.5 18.3 21.2 5 5 A S G > S+ 0 0 74 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.771 86.1 67.6 -55.3 -27.9 22.8 15.4 20.1 6 6 A Q G < S+ 0 0 160 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.762 113.5 26.8 -65.9 -25.4 22.4 16.3 16.4 7 7 A T G < S+ 0 0 67 -3,-1.8 16,-2.7 -4,-0.4 2,-0.3 0.072 113.1 70.1-126.7 25.6 24.3 19.6 16.8 8 8 A a E < -A 22 0A 21 -3,-0.9 2,-0.3 14,-0.2 14,-0.2 -0.876 52.8-172.6-134.6 166.8 26.6 19.0 19.7 9 9 A Y E +A 21 0A 114 12,-2.4 12,-2.4 -2,-0.3 -3,-0.0 -0.948 60.1 45.9-153.0 169.3 29.7 16.9 20.4 10 10 A N E S+ 0 0 126 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.870 73.5 174.0 59.6 38.3 31.9 15.9 23.3 11 11 A S E + 0 0 57 9,-0.1 2,-0.3 -3,-0.1 9,-0.2 -0.469 3.5 172.1 -76.5 149.1 28.9 15.2 25.5 12 12 A A E -A 19 0A 58 7,-2.3 7,-2.6 -2,-0.1 2,-0.4 -0.993 25.5-142.3-156.9 153.0 29.4 13.7 28.9 13 13 A I E +A 18 0A 114 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.981 16.6 175.6-123.0 130.0 27.4 12.8 32.1 14 14 A Q E > -A 17 0A 160 3,-2.3 3,-2.4 -2,-0.4 2,-0.4 -0.973 69.6 -43.7-133.7 113.5 28.9 13.2 35.5 15 15 A G T 3 S- 0 0 75 -2,-0.4 20,-0.0 1,-0.3 -2,-0.0 -0.499 125.0 -25.5 65.2-119.0 26.5 12.5 38.4 16 16 A S T 3 S+ 0 0 30 -2,-0.4 20,-2.9 -3,-0.1 2,-0.5 0.372 117.0 102.4-106.6 3.0 23.3 14.2 37.3 17 17 A V E < -AB 14 35A 45 -3,-2.4 -3,-2.3 18,-0.2 2,-0.5 -0.781 52.7-160.4 -99.6 127.7 25.0 16.8 35.1 18 18 A L E -AB 13 34A 31 16,-2.6 16,-2.1 -2,-0.5 2,-0.4 -0.867 11.8-174.5-100.6 130.9 25.1 16.7 31.3 19 19 A T E +AB 12 33A 48 -7,-2.6 -7,-2.3 -2,-0.5 2,-0.3 -0.971 10.7 160.5-125.8 140.4 27.8 18.8 29.6 20 20 A S E - B 0 32A 7 12,-2.2 12,-2.2 -2,-0.4 2,-0.6 -0.992 38.7-123.3-157.2 157.4 28.2 19.2 25.9 21 21 A T E -AB 9 31A 18 -12,-2.4 -12,-2.4 -2,-0.3 2,-0.3 -0.929 40.6-171.1-106.7 116.2 29.7 21.5 23.2 22 22 A a E -AB 8 30A 31 8,-3.0 8,-1.8 -2,-0.6 -14,-0.2 -0.830 24.3-108.2-118.7 151.5 27.1 22.8 20.9 23 23 A E E - B 0 29A 107 -16,-2.7 6,-0.2 -2,-0.3 2,-0.2 -0.457 29.4-143.0 -72.8 136.6 26.8 24.7 17.6 24 24 A R > - 0 0 170 4,-2.5 3,-1.2 -2,-0.2 4,-0.1 -0.575 22.9-114.0 -93.3 162.4 25.5 28.2 17.7 25 25 A T T 3 S+ 0 0 159 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.954 117.0 48.2 -59.9 -52.5 23.3 29.6 14.9 26 26 A N T 3 S- 0 0 163 1,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.312 126.7 -98.2 -73.0 11.0 25.9 32.2 13.7 27 27 A G S < S+ 0 0 41 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 -0.177 84.3 82.8 91.9 168.7 28.4 29.4 13.7 28 28 A G - 0 0 45 -3,-0.1 -4,-2.5 -4,-0.1 2,-0.3 -0.215 69.8 -95.1 86.2 176.1 31.0 28.6 16.4 29 29 A Y E -B 23 0A 131 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.862 21.3-161.7-133.7 166.5 30.4 26.7 19.5 30 30 A N E -B 22 0A 93 -8,-1.8 -8,-3.0 -2,-0.3 2,-0.5 -0.989 15.1-141.2-146.5 138.6 29.6 27.0 23.2 31 31 A T E +B 21 0A 82 -2,-0.3 2,-0.3 -10,-0.3 -10,-0.2 -0.869 32.8 160.9-103.0 133.8 30.0 24.5 26.0 32 32 A S E -B 20 0A 63 -12,-2.2 -12,-2.2 -2,-0.5 2,-0.3 -0.943 24.7-141.6-146.6 168.0 27.3 24.3 28.6 33 33 A S E -B 19 0A 77 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.902 5.6-164.4-132.1 159.7 25.8 22.1 31.3 34 34 A I E -B 18 0A 94 -16,-2.1 -16,-2.6 -2,-0.3 2,-0.8 -0.976 19.8-134.1-147.6 129.5 22.4 21.1 32.6 35 35 A D E > -B 17 0A 78 -2,-0.3 3,-0.7 -18,-0.2 -18,-0.2 -0.774 14.8-167.8 -86.9 113.0 21.5 19.4 35.9 36 36 A L G >> + 0 0 35 -20,-2.9 4,-1.8 -2,-0.8 3,-1.5 0.514 65.6 94.9 -79.0 -6.4 19.0 16.7 35.1 37 37 A N G 34 S+ 0 0 112 1,-0.3 -1,-0.2 -21,-0.2 -20,-0.1 0.820 86.7 46.9 -54.8 -34.5 18.1 16.1 38.8 38 38 A S G <4 S+ 0 0 81 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.496 118.7 38.5 -89.4 -2.7 15.1 18.5 38.5 39 39 A V T <4 S+ 0 0 53 -3,-1.5 11,-3.6 1,-0.1 2,-0.4 0.504 110.0 56.5-122.6 -9.1 13.7 17.1 35.3 40 40 A I E < -C 49 0B 42 -4,-1.8 2,-0.3 9,-0.3 9,-0.2 -0.968 62.1-175.7-125.7 141.9 14.3 13.3 35.6 41 41 A E E -C 48 0B 71 7,-2.9 7,-3.0 -2,-0.4 2,-0.8 -0.957 28.8-117.0-138.3 156.4 13.0 11.0 38.4 42 42 A N E -C 47 0B 113 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.830 28.8-176.1 -94.1 111.1 13.3 7.4 39.5 43 43 A V E > S-C 46 0B 63 3,-2.9 3,-1.5 -2,-0.8 -2,-0.0 -0.900 73.5 -36.8-110.9 101.7 9.8 5.7 39.4 44 44 A D T 3 S- 0 0 167 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.875 125.9 -40.7 51.8 44.2 10.1 2.2 40.7 45 45 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.408 119.3 104.1 90.1 -2.4 13.5 1.6 39.1 46 46 A S E < -C 43 0B 47 -3,-1.5 -3,-2.9 2,-0.0 2,-0.4 -0.950 69.7-127.1-118.0 130.5 12.8 3.4 35.8 47 47 A L E +C 42 0B 133 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.610 37.4 176.6 -75.1 126.5 14.1 6.8 34.9 48 48 A K E -C 41 0B 102 -7,-3.0 -7,-2.9 -2,-0.4 2,-0.3 -0.922 36.0 -99.4-130.2 155.4 11.1 9.0 33.7 49 49 A W E -C 40 0B 196 -2,-0.3 -9,-0.3 -9,-0.2 -10,-0.0 -0.573 40.9-127.5 -74.4 135.6 10.8 12.6 32.7 50 50 A Q - 0 0 76 -11,-3.6 2,-0.1 -2,-0.3 -1,-0.1 -0.684 21.8-113.1 -87.0 132.9 9.5 14.7 35.5 51 51 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.431 16.4-144.9 -65.4 137.7 6.4 16.9 34.9 52 52 A S S S+ 0 0 116 -2,-0.1 2,-0.3 1,-0.1 -2,-0.0 0.486 76.0 2.7 -81.8 -3.1 7.3 20.6 35.0 53 53 A N - 0 0 69 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.984 43.7-149.5-169.0 170.7 4.0 21.5 36.5 54 54 A F S >> S+ 0 0 101 -2,-0.3 4,-0.8 2,-0.1 3,-0.6 0.375 87.2 81.4-127.1 -9.9 0.7 20.3 37.9 55 55 A I T 34 S+ 0 0 120 1,-0.2 6,-0.1 2,-0.2 -2,-0.0 0.591 83.6 64.4 -74.5 -10.6 -1.4 23.4 36.9 56 56 A E T 34 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.782 117.0 25.7 -81.1 -27.9 -1.7 22.1 33.3 57 57 A T T <4 S+ 0 0 62 -3,-0.6 17,-2.6 17,-0.1 2,-0.3 0.342 117.8 64.2-116.9 2.8 -3.7 19.1 34.5 58 58 A b E < -D 73 0C 16 -4,-0.8 2,-0.3 15,-0.2 15,-0.2 -0.941 59.7-172.9-127.1 151.8 -5.3 20.5 37.8 59 59 A R E +D 72 0C 125 13,-2.8 13,-2.4 -2,-0.3 -3,-0.0 -0.851 56.4 35.7-136.8 170.9 -7.7 23.3 38.2 60 60 A N E - 0 0 84 -2,-0.3 2,-0.2 11,-0.2 -1,-0.2 0.912 68.9-170.5 50.6 52.8 -9.3 25.3 41.0 61 61 A T E + 0 0 73 -3,-0.1 2,-0.3 10,-0.1 10,-0.2 -0.535 11.7 170.5 -73.3 138.4 -6.3 25.3 43.3 62 62 A Q E -D 70 0C 105 8,-2.6 8,-3.1 -2,-0.2 2,-0.7 -0.988 39.7-116.1-148.4 154.9 -7.1 26.7 46.8 63 63 A L E -D 69 0C 113 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.857 32.5-160.5 -93.4 113.8 -5.5 27.0 50.2 64 64 A A E >> -D 68 0C 42 4,-3.5 4,-1.8 -2,-0.7 3,-0.7 -0.867 59.0 -31.2 -98.7 119.7 -7.7 24.9 52.5 65 65 A G T 34 S- 0 0 73 -2,-0.6 -2,-0.0 1,-0.2 0, 0.0 -0.513 113.6 -41.2 74.2-140.0 -7.3 25.8 56.2 66 66 A S T 34 S+ 0 0 112 -2,-0.2 -1,-0.2 1,-0.0 -3,-0.0 0.591 135.5 7.1-102.0 -12.0 -3.8 27.1 57.1 67 67 A S T <4 S+ 0 0 16 -3,-0.7 20,-2.7 20,-0.0 2,-0.5 0.406 91.6 112.7-151.1 5.0 -1.6 24.7 55.1 68 68 A E E < -DE 64 86C 33 -4,-1.8 -4,-3.5 18,-0.2 2,-0.6 -0.735 47.9-152.4 -93.1 127.7 -3.6 22.4 52.8 69 69 A L E -DE 63 85C 41 16,-3.0 16,-2.0 -2,-0.5 2,-0.3 -0.880 21.6-174.0 -95.7 120.0 -3.3 22.7 49.0 70 70 A A E +DE 62 84C 26 -8,-3.1 -8,-2.6 -2,-0.6 2,-0.3 -0.873 13.2 144.9-115.7 148.8 -6.6 21.6 47.4 71 71 A A E - E 0 83C 9 12,-2.2 12,-2.4 -2,-0.3 2,-0.6 -0.980 47.9-107.8-168.3 170.5 -7.4 21.1 43.8 72 72 A E E -DE 59 82C 61 -13,-2.4 -13,-2.8 -2,-0.3 2,-0.3 -0.968 43.6-172.4-111.3 116.3 -9.3 19.1 41.2 73 73 A b E -DE 58 81C 27 8,-2.4 8,-2.4 -2,-0.6 -15,-0.2 -0.890 23.4-113.4-118.5 148.4 -6.8 17.0 39.1 74 74 A K E - E 0 80C 77 -17,-2.6 6,-0.2 -2,-0.3 2,-0.1 -0.511 27.4-144.3 -76.9 138.1 -7.1 14.9 36.0 75 75 A T > - 0 0 48 4,-2.3 3,-2.1 -2,-0.2 -1,-0.1 -0.312 37.5 -92.7 -89.4 178.5 -6.6 11.1 36.3 76 76 A R T 3 S+ 0 0 239 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.823 129.9 60.5 -61.6 -29.2 -4.9 9.0 33.6 77 77 A A T 3 S- 0 0 66 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.340 120.0-113.2 -80.2 5.9 -8.5 8.4 32.4 78 78 A Q S < S+ 0 0 121 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.744 75.5 127.7 68.7 26.7 -8.8 12.2 31.8 79 79 A Q - 0 0 134 -6,-0.1 -4,-2.3 0, 0.0 2,-0.4 -0.902 59.5-118.5-114.9 143.6 -11.4 12.7 34.5 80 80 A F E +E 74 0C 77 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.651 34.4 174.8 -84.7 133.6 -11.2 15.3 37.3 81 81 A V E -E 73 0C 75 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.3 -0.912 35.0 -99.0-132.1 158.9 -11.1 14.1 40.9 82 82 A S E +E 72 0C 111 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.603 48.0 163.0 -81.9 137.1 -10.7 15.9 44.2 83 83 A T E -E 71 0C 67 -12,-2.4 -12,-2.2 -2,-0.3 2,-0.3 -0.973 14.5-174.9-149.5 160.1 -7.2 15.9 45.8 84 84 A K E -E 70 0C 142 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.984 6.7-162.1-154.4 160.4 -5.2 17.7 48.5 85 85 A I E -E 69 0C 94 -16,-2.0 -16,-3.0 -2,-0.3 2,-0.8 -0.992 27.2-117.9-148.0 138.8 -1.7 17.7 49.9 86 86 A N E > -E 68 0C 54 -2,-0.3 3,-2.0 -18,-0.2 4,-0.3 -0.702 17.5-163.1 -83.1 109.3 -0.4 19.2 53.2 87 87 A L G >> S+ 0 0 66 -20,-2.7 4,-2.4 -2,-0.8 3,-1.0 0.729 84.8 74.2 -64.0 -20.6 2.1 21.9 52.4 88 88 A D G 34 S+ 0 0 111 -21,-0.4 -1,-0.3 1,-0.2 -20,-0.1 0.662 80.0 77.2 -66.6 -12.4 3.4 21.7 56.0 89 89 A D G <4 S- 0 0 103 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.899 121.3 -4.0 -62.1 -41.4 5.1 18.4 54.8 90 90 A H T <4 S+ 0 0 91 -3,-1.0 11,-1.9 -4,-0.3 2,-0.7 0.436 107.6 94.5-134.8 -3.9 7.9 20.2 53.0 91 91 A I E < -F 100 0D 63 -4,-2.4 2,-0.3 9,-0.2 9,-0.2 -0.862 52.8-179.1-100.3 118.2 7.4 24.0 53.1 92 92 A A E -F 99 0D 19 7,-2.9 7,-2.4 -2,-0.7 2,-0.8 -0.752 33.0-122.2-115.1 160.6 9.2 25.7 55.9 93 93 A N E -F 98 0D 115 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.885 28.7-171.6-100.4 102.6 9.6 29.2 57.3 94 94 A I E > S-F 97 0D 78 3,-2.8 3,-1.4 -2,-0.8 -2,-0.0 -0.838 72.1 -42.0-100.6 98.2 13.4 29.8 57.2 95 95 A D T 3 S- 0 0 164 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.858 125.2 -36.8 48.8 46.0 13.8 33.1 59.0 96 96 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.383 120.0 100.3 94.1 -3.5 10.8 34.7 57.4 97 97 A T E < S-F 94 0D 77 -3,-1.4 -3,-2.8 2,-0.0 2,-0.4 -0.956 71.5-122.4-121.4 134.1 11.1 33.2 53.9 98 98 A L E +F 93 0D 139 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.567 40.0 171.8 -73.0 127.4 9.2 30.3 52.5 99 99 A K E -F 92 0D 109 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.2 -0.998 30.6-125.5-141.9 142.5 11.5 27.5 51.4 100 100 A Y E F 91 0D 170 -2,-0.3 -9,-0.2 -9,-0.2 -10,-0.0 -0.595 360.0 360.0 -82.8 144.4 11.1 23.9 50.2 101 101 A E 0 0 154 -11,-1.9 -2,-0.0 -2,-0.2 0, 0.0 -0.975 360.0 360.0-152.8 360.0 13.0 21.2 52.0