==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 21-AUG-10 3OJB . COMPND 2 MOLECULE: GALECTIN-8; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.ZHOU,M.TENG,L.NIU . 524 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.9 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 . 254 48.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 . 71 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 10 3 0 4 12 12 3 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 . 0 0 0 4 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 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 9 A M 0 0 116 0, 0.0 2,-0.2 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 177.2 12.2 40.4 2.1 2 10 A P - 0 0 106 0, 0.0 2,-0.5 0, 0.0 120,-0.2 0.245 360.0-144.7 -47.0 137.4 13.8 40.2 4.8 3 11 A F E +A 121 0A 56 118,-3.2 118,-3.2 -2,-0.2 2,-0.3 -0.833 29.9 166.9 -97.0 129.4 10.4 40.8 6.4 4 12 A A E +A 120 0A 72 -2,-0.5 2,-0.3 116,-0.2 116,-0.2 -0.871 13.4 157.3-146.3 109.1 10.4 42.9 9.6 5 13 A A E -A 119 0A 35 114,-2.4 114,-2.8 -2,-0.3 2,-0.4 -0.913 41.7-103.1-137.0 159.0 7.0 44.3 10.8 6 14 A R E -A 118 0A 175 -2,-0.3 2,-0.5 112,-0.2 112,-0.3 -0.663 33.5-123.7 -81.4 127.4 5.2 45.5 13.9 7 15 A L - 0 0 13 110,-2.4 -1,-0.0 -2,-0.4 10,-0.0 -0.644 17.9-144.3 -64.6 118.5 2.7 43.2 15.5 8 16 A N S S+ 0 0 148 -2,-0.5 -1,-0.2 1,-0.2 109,-0.0 0.783 92.2 28.0 -61.1 -28.7 -0.5 45.3 15.4 9 17 A T S S- 0 0 73 -3,-0.0 -1,-0.2 0, 0.0 105,-0.0 -0.995 94.4-123.9-129.3 129.0 -1.3 43.7 18.8 10 18 A P - 0 0 53 0, 0.0 107,-0.2 0, 0.0 104,-0.1 -0.173 38.7 -84.5 -64.6 163.7 1.5 42.5 21.1 11 19 A M + 0 0 5 105,-2.1 105,-0.2 102,-0.4 5,-0.0 -0.192 58.5 140.8 -69.7 160.2 1.6 38.9 22.3 12 20 A G > - 0 0 15 77,-0.1 3,-2.2 102,-0.1 2,-0.5 -0.939 63.3 -43.9-179.0 173.3 -0.3 37.6 25.4 13 21 A P T 3 S+ 0 0 86 0, 0.0 77,-0.2 0, 0.0 78,-0.1 -0.466 131.1 17.1 -58.2 112.1 -2.2 34.5 26.5 14 22 A G T 3 S+ 0 0 47 75,-3.8 2,-0.2 -2,-0.5 76,-0.1 0.415 91.0 133.8 106.4 2.2 -4.3 33.7 23.4 15 23 A R < - 0 0 58 -3,-2.2 74,-2.5 74,-0.4 2,-0.3 -0.564 37.7-153.9 -86.7 149.9 -2.5 35.7 20.7 16 24 A T E -H 88 0B 53 -2,-0.2 2,-0.4 72,-0.2 72,-0.2 -0.927 16.0-169.2-127.6 142.6 -1.7 34.1 17.3 17 25 A V E -H 87 0B 4 70,-2.0 70,-2.3 -2,-0.3 2,-0.5 -0.970 15.1-163.8-128.0 120.0 0.9 34.7 14.6 18 26 A V E -H 86 0B 17 -2,-0.4 113,-2.7 68,-0.2 2,-0.5 -0.902 4.1-168.1-110.4 126.9 0.3 32.9 11.3 19 27 A V E +HI 85 130B 0 66,-3.0 66,-3.8 -2,-0.5 2,-0.4 -0.950 6.2 179.7-112.3 123.6 3.0 32.4 8.7 20 28 A K E +HI 84 129B 48 109,-2.7 109,-2.4 -2,-0.5 108,-2.1 -0.993 27.2 111.4-122.4 131.8 2.1 31.2 5.2 21 29 A G E -HI 83 127B 0 62,-2.4 62,-3.1 -2,-0.4 2,-0.5 -0.975 57.6 -88.4-175.5-173.2 4.7 30.8 2.5 22 30 A E E -HI 82 126B 82 104,-2.7 104,-2.5 -2,-0.3 2,-0.3 -0.964 28.3-137.8-127.0 114.4 6.9 28.7 0.2 23 31 A V E - I 0 125B 3 58,-2.0 57,-2.2 -2,-0.5 102,-0.2 -0.559 42.5-100.1 -70.6 129.7 10.2 27.2 1.2 24 32 A N > - 0 0 58 100,-2.3 3,-1.3 -2,-0.3 56,-0.4 -0.023 20.2-117.6 -54.6 152.9 12.6 27.7 -1.8 25 33 A A T 3 S+ 0 0 86 1,-0.3 -1,-0.1 54,-0.3 -2,-0.1 0.823 117.5 29.4 -59.4 -35.0 13.5 25.0 -4.2 26 34 A N T 3 S+ 0 0 136 54,-0.0 -1,-0.3 53,-0.0 -2,-0.1 0.048 94.1 153.7-112.8 23.7 17.2 25.1 -3.2 27 35 A A < + 0 0 12 -3,-1.3 3,-0.1 97,-0.1 98,-0.1 -0.078 24.8 172.5 -60.8 149.2 16.6 26.2 0.4 28 36 A K - 0 0 134 1,-0.4 23,-1.2 22,-0.1 22,-0.7 0.627 65.6 -9.6-118.9 -39.8 19.0 25.5 3.3 29 37 A S B -B 49 0A 19 20,-0.2 95,-3.1 21,-0.2 -1,-0.4 -0.989 50.2-176.1-156.1 156.1 17.5 27.5 6.1 30 38 A F E -C 123 0A 0 18,-1.4 2,-0.4 -2,-0.3 93,-0.3 -0.974 12.7-146.2-151.8 164.4 15.0 30.2 7.2 31 39 A N E -C 122 0A 22 91,-3.4 91,-1.8 -2,-0.3 2,-0.4 -0.989 12.3-174.0-133.5 137.1 14.0 32.1 10.3 32 40 A V E -CD 121 46A 0 14,-2.4 14,-2.7 -2,-0.4 2,-0.4 -0.985 21.7-171.4-124.3 121.6 10.9 33.5 11.9 33 41 A D E -CD 120 45A 10 87,-3.5 87,-2.4 -2,-0.4 2,-0.6 -0.892 21.8-149.1-114.3 140.8 11.5 35.5 15.1 34 42 A L E -CD 119 44A 0 10,-3.4 9,-1.8 -2,-0.4 10,-1.4 -0.936 33.6-162.7-105.7 108.2 9.2 37.0 17.7 35 43 A L E -CD 118 42A 1 83,-2.9 83,-1.8 -2,-0.6 82,-1.2 -0.599 35.1-146.8-100.1 147.9 10.9 40.2 19.0 36 44 A A E >>> - D 0 41A 2 5,-3.1 3,-1.9 80,-0.3 4,-1.5 -0.795 29.3-165.7 -99.5 81.5 10.7 42.5 21.9 37 45 A G T 345S+ 0 0 40 -2,-0.8 -1,-0.1 1,-0.3 79,-0.1 0.664 77.2 64.3 -45.2 -27.2 11.7 45.4 19.7 38 46 A K T 345S+ 0 0 200 77,-0.4 -1,-0.3 1,-0.2 78,-0.1 0.865 120.2 19.6 -69.4 -39.4 12.5 47.7 22.6 39 47 A S T <45S- 0 0 65 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.378 103.6-120.6-108.9 -0.0 15.4 45.5 24.0 40 48 A K T <5 + 0 0 112 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.651 59.4 156.2 65.4 18.8 16.0 43.7 20.7 41 49 A D E < -D 36 0A 14 -5,-1.1 -5,-3.1 1,-0.1 2,-0.9 -0.545 40.4-144.0 -74.6 135.1 15.3 40.4 22.6 42 50 A I E +DE 35 60A 16 18,-2.2 18,-1.9 -2,-0.2 -7,-0.2 -0.894 21.1 177.4 -99.7 102.3 14.2 37.5 20.4 43 51 A A E S+ 0 0 2 -9,-1.8 2,-0.5 -2,-0.9 66,-0.3 0.904 74.6 26.7 -69.3 -44.9 11.7 35.7 22.7 44 52 A L E +D 34 0A 0 -10,-1.4 -10,-3.4 -3,-0.2 2,-0.5 -0.987 65.6 178.0-126.1 124.1 10.9 33.1 20.1 45 53 A H E -DE 33 58A 11 13,-1.2 13,-1.1 -2,-0.5 2,-0.6 -0.894 5.6-173.6-127.2 95.8 13.3 32.1 17.3 46 54 A L E +DE 32 57A 0 -14,-2.7 -14,-2.4 -2,-0.5 11,-0.2 -0.836 6.8 176.6 -91.2 120.7 12.0 29.4 15.0 47 55 A N E - E 0 56A 14 9,-3.2 9,-2.1 -2,-0.6 2,-0.4 -0.787 11.4-165.5-130.9 88.3 14.7 28.2 12.6 48 56 A P E - E 0 55A 0 0, 0.0 -18,-1.4 0, 0.0 2,-0.7 -0.610 8.7-156.6 -72.2 128.5 13.8 25.3 10.3 49 57 A R E >> -BE 29 54A 26 5,-2.9 5,-1.6 -2,-0.4 4,-1.4 -0.869 9.9-173.7-115.2 98.7 17.0 23.8 8.7 50 58 A L T 45S+ 0 0 9 -22,-0.7 -21,-0.2 -2,-0.7 -1,-0.1 0.788 78.0 54.5 -64.3 -34.8 16.1 22.0 5.4 51 59 A N T 45S+ 0 0 81 -23,-1.2 -1,-0.2 1,-0.2 -22,-0.1 0.901 122.0 26.0 -71.5 -43.8 19.6 20.5 4.7 52 60 A I T 45S- 0 0 72 -24,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.538 106.4-127.2 -93.6 -9.5 20.1 18.7 8.0 53 61 A K T <5 + 0 0 19 -4,-1.4 418,-2.2 1,-0.2 2,-0.4 0.953 59.0 138.2 59.8 56.8 16.3 18.4 8.5 54 62 A A E < -E 49 0A 0 -5,-1.6 -5,-2.9 416,-0.2 2,-0.8 -0.992 50.2-143.0-131.2 137.8 16.1 19.9 12.0 55 63 A F E -E 48 0A 0 15,-0.5 2,-0.3 -2,-0.4 -9,-0.0 -0.893 29.9-171.3 -97.8 106.6 13.7 22.3 13.6 56 64 A V E +E 47 0A 3 -9,-2.1 -9,-3.2 -2,-0.8 2,-0.3 -0.768 9.0 174.4-100.5 140.3 15.8 24.5 15.9 57 65 A R E +EF 46 69A 6 12,-1.1 12,-2.1 -2,-0.3 2,-0.3 -0.988 7.9 146.6-148.8 145.7 14.5 27.0 18.4 58 66 A N E -E 45 0A 1 -13,-1.1 -13,-1.2 -2,-0.3 2,-0.4 -0.901 38.2-111.0-157.8 174.8 16.1 29.2 21.0 59 67 A S E - 0 0 2 -2,-0.3 7,-1.9 8,-0.2 2,-0.9 -0.996 12.3-150.3-125.1 130.9 15.7 32.6 22.8 60 68 A F E +EG 42 65A 43 -18,-1.9 -18,-2.2 -2,-0.4 2,-0.4 -0.833 34.7 163.8 -98.7 95.7 18.2 35.6 22.4 61 69 A L E > + G 0 64A 27 3,-2.0 3,-0.6 -2,-0.9 -2,-0.1 -0.963 59.1 0.3-126.3 131.6 17.9 37.3 25.8 62 70 A Q T 3 S- 0 0 125 -2,-0.4 172,-0.5 1,-0.2 -1,-0.2 0.893 128.6 -59.6 55.6 47.2 20.2 39.9 27.3 63 71 A E T 3 S+ 0 0 146 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.690 120.8 102.5 58.6 25.5 22.5 39.8 24.2 64 72 A S E < -G 61 0A 12 -3,-0.6 -3,-2.0 168,-0.1 2,-0.3 -0.999 69.7-126.7-145.1 133.1 23.0 36.0 24.9 65 73 A W E -G 60 0A 24 -2,-0.3 -5,-0.2 -5,-0.2 167,-0.1 -0.632 25.9-147.1 -83.1 134.8 21.6 32.8 23.4 66 74 A G - 0 0 17 -7,-1.9 2,-0.2 -2,-0.3 -1,-0.1 0.123 41.2 -53.1 -80.8-162.8 20.0 30.2 25.7 67 75 A E - 0 0 57 1,-0.1 2,-0.3 81,-0.1 -8,-0.2 -0.499 61.4-114.8 -76.2 150.5 20.0 26.4 25.5 68 76 A E - 0 0 22 -2,-0.2 2,-0.5 -10,-0.1 -10,-0.2 -0.627 18.8-158.2 -95.8 142.0 18.7 24.9 22.3 69 77 A E B +F 57 0A 67 -12,-2.1 -12,-1.1 -2,-0.3 400,-0.0 -0.974 25.6 153.5-121.1 120.2 15.6 22.8 21.8 70 78 A R + 0 0 19 -2,-0.5 -15,-0.5 -14,-0.2 -1,-0.1 0.577 24.0 133.0-118.8 -20.2 15.5 20.5 18.7 71 79 A N + 0 0 97 -17,-0.1 2,-0.3 396,-0.1 398,-0.2 -0.128 28.3 162.0 -44.6 108.4 13.2 17.7 19.8 72 80 A I B -L 468 0C 2 396,-2.7 396,-2.6 394,-0.1 3,-0.1 -0.887 41.2-148.3-127.6 165.1 10.7 17.1 17.0 73 81 A T S S- 0 0 53 1,-0.5 2,-0.3 30,-0.4 378,-0.1 0.580 86.9 -7.8-105.0 -17.5 8.4 14.2 16.1 74 82 A S S S- 0 0 24 29,-0.2 -1,-0.5 376,-0.1 376,-0.2 -0.900 71.9-110.3-172.1 151.2 8.6 14.8 12.3 75 83 A F - 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