==== 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 METAL BINDING PROTEIN 22-JUN-05 2CWM . COMPND 2 MOLECULE: LECTIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA MARITIMA; . AUTHOR B.S.CAVADA,W.F.DE AZEVEDO JR.,A.M.S.ASSREUY,D.N.CRIDDLE, . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 67.9 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 . 206 43.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 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-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 2 5 1 2 6 2 6 3 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 1 1 0 0 0 0 0 0 0 1 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 A 0 0 132 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0-171.0 38.9 -1.3 -2.7 2 2 A D - 0 0 48 218,-0.1 2,-0.5 230,-0.1 213,-0.0 -0.214 360.0-123.9 -69.3 163.1 42.1 -1.4 -0.6 3 3 A T - 0 0 33 2,-0.0 213,-0.8 26,-0.0 2,-0.4 -0.948 34.7-169.2-105.1 130.2 45.5 -0.3 -1.7 4 4 A I E +A 215 0A 2 -2,-0.5 26,-3.5 211,-0.2 2,-0.4 -0.968 26.3 175.2-132.5 131.5 48.1 -3.0 -1.5 5 5 A V E +AB 214 29A 3 209,-2.1 209,-2.6 -2,-0.4 2,-0.3 -0.991 30.5 164.9-119.3 134.7 51.8 -3.3 -1.7 6 6 A A E -AB 213 28A 2 22,-2.8 22,-3.8 -2,-0.4 2,-0.5 -0.995 41.5-144.2-152.7 148.1 53.1 -6.8 -1.0 7 7 A V E -AB 212 27A 2 205,-2.6 205,-1.9 -2,-0.3 2,-0.4 -0.994 33.8-158.6-107.5 119.4 55.9 -9.2 -1.1 8 8 A E E -AB 211 26A 0 18,-2.6 18,-2.0 -2,-0.5 2,-0.8 -0.827 21.9-155.5-102.7 141.4 54.4 -12.6 -1.8 9 9 A L E -AB 210 25A 0 201,-3.1 201,-2.0 -2,-0.4 2,-0.8 -0.971 29.6-163.9-107.7 98.4 56.0 -15.9 -1.1 10 10 A D E +AB 209 24A 2 14,-3.3 14,-2.5 -2,-0.8 199,-0.2 -0.832 21.0 175.9-101.5 107.8 53.9 -17.7 -3.7 11 11 A T + 0 0 0 197,-1.6 198,-0.2 -2,-0.8 -1,-0.1 0.682 65.6 57.6 -86.7 -15.8 54.0 -21.4 -3.3 12 12 A Y S S- 0 0 61 196,-1.1 2,-0.5 12,-0.1 -1,-0.2 -0.936 75.8-136.8-124.6 118.3 51.5 -22.2 -6.1 13 13 A P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 8,-0.1 -0.572 17.7-177.3 -74.1 116.7 51.9 -21.2 -9.8 14 14 A N > > + 0 0 18 -2,-0.5 3,-1.8 1,-0.1 5,-1.7 -0.852 7.3 178.8-111.3 83.8 48.5 -20.0 -11.2 15 15 A T G > 5S+ 0 0 89 -2,-0.8 3,-0.9 1,-0.3 -1,-0.1 0.654 70.8 67.5 -70.5 -11.8 49.9 -19.5 -14.6 16 16 A D G 3 5S+ 0 0 114 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.600 103.5 45.4 -86.0 -9.1 46.5 -18.3 -15.9 17 17 A I G < 5S- 0 0 4 -3,-1.8 -1,-0.2 15,-0.1 -2,-0.2 -0.007 132.5 -83.7-117.8 28.8 46.8 -15.2 -13.8 18 18 A G T < 5S+ 0 0 53 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.315 79.6 142.2 93.2 -8.6 50.4 -14.3 -14.6 19 19 A D < - 0 0 11 -5,-1.7 -1,-0.3 1,-0.1 14,-0.0 -0.306 55.8-114.2 -52.7 145.0 52.4 -16.5 -12.2 20 20 A P - 0 0 23 0, 0.0 -6,-0.1 0, 0.0 -1,-0.1 -0.296 37.3 -99.7 -67.7 173.0 55.5 -17.9 -13.6 21 21 A S S S+ 0 0 97 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.089 101.5 58.3 -91.8 36.2 55.3 -21.7 -13.8 22 22 A Y S S- 0 0 84 -10,-0.1 -10,-0.1 -12,-0.0 19,-0.1 -0.972 100.7 -82.2-148.5 158.7 57.3 -22.3 -10.6 23 23 A P + 0 0 34 0, 0.0 17,-2.7 0, 0.0 2,-0.3 -0.380 65.0 172.4 -55.5 148.5 56.9 -21.3 -7.0 24 24 A H E -BC 10 39A 0 -14,-2.5 -14,-3.3 15,-0.3 2,-0.4 -0.971 40.6-120.1-157.6 158.6 58.2 -17.8 -6.6 25 25 A I E +BC 9 38A 0 13,-2.4 13,-2.5 -2,-0.3 2,-0.3 -0.916 41.3 177.6-102.6 144.7 58.8 -14.6 -4.7 26 26 A G E -BC 8 37A 0 -18,-2.0 -18,-2.6 -2,-0.4 2,-0.6 -0.991 32.6-127.3-148.4 153.6 57.2 -11.5 -6.1 27 27 A I E -BC 7 36A 0 9,-2.5 8,-2.2 -2,-0.3 9,-1.0 -0.911 28.3-161.0-104.1 120.1 56.6 -7.8 -5.6 28 28 A D E -B 6 0A 0 -22,-3.8 -22,-2.8 -2,-0.6 2,-0.6 -0.916 11.6-177.0-108.5 121.6 53.0 -6.9 -5.8 29 29 A I E S-B 5 0A 18 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.948 78.4 -37.3-119.3 101.9 51.9 -3.3 -6.4 30 30 A K S S+ 0 0 107 -26,-3.5 2,-0.3 -2,-0.6 -25,-0.1 0.580 128.5 66.4 60.0 19.5 48.2 -2.9 -6.4 31 31 A S S S- 0 0 9 -27,-0.2 -2,-0.2 206,-0.1 4,-0.2 -0.963 76.6-130.2-160.6 150.7 47.8 -6.3 -8.2 32 32 A V S S+ 0 0 1 203,-0.4 2,-1.5 -2,-0.3 204,-0.1 0.703 92.5 91.4 -69.9 -20.8 48.3 -10.0 -7.6 33 33 A R S S- 0 0 98 -4,-0.1 -4,-0.3 1,-0.1 -1,-0.1 -0.669 89.3-130.5 -78.0 96.7 50.1 -10.0 -10.9 34 34 A S - 0 0 27 -2,-1.5 -6,-0.2 1,-0.2 3,-0.1 -0.184 8.2-143.8 -53.3 137.9 53.5 -9.3 -9.5 35 35 A K S S+ 0 0 96 -8,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.757 90.0 14.8 -68.8 -26.1 55.5 -6.6 -11.2 36 36 A K E S-C 27 0A 108 -9,-1.0 -9,-2.5 41,-0.1 2,-0.3 -0.985 70.2-177.9-154.5 140.6 58.5 -8.7 -10.6 37 37 A T E -C 26 0A 51 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.939 9.8-165.5-136.8 156.6 59.3 -12.3 -9.6 38 38 A A E -C 25 0A 23 -13,-2.5 -13,-2.4 -2,-0.3 2,-0.1 -0.985 39.3 -98.8-136.5 145.3 62.2 -14.6 -8.9 39 39 A K E -C 24 0A 148 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.403 42.0-163.9 -61.0 136.9 62.0 -18.4 -8.8 40 40 A W - 0 0 4 -17,-2.7 2,-1.0 -30,-0.2 33,-0.1 -0.982 17.0-148.0-130.3 127.8 61.8 -19.7 -5.2 41 41 A N - 0 0 95 -2,-0.4 2,-0.5 -19,-0.1 -30,-0.1 -0.806 18.0-154.3 -94.2 96.4 62.4 -23.2 -3.9 42 42 A M - 0 0 19 -2,-1.0 2,-0.9 -32,-0.1 -2,-0.0 -0.643 6.9-146.4 -67.5 120.1 60.1 -23.5 -1.0 43 43 A Q > - 0 0 28 -2,-0.5 3,-2.2 3,-0.1 156,-0.3 -0.784 22.9-125.9 -95.0 96.3 61.6 -26.2 1.3 44 44 A N T 3 S+ 0 0 78 -2,-0.9 156,-0.3 1,-0.3 3,-0.1 -0.150 86.7 3.1 -46.7 126.8 58.6 -28.0 2.8 45 45 A G T 3 S+ 0 0 20 154,-2.9 2,-0.3 1,-0.3 -1,-0.3 0.521 101.6 118.8 73.7 4.5 58.7 -28.0 6.6 46 46 A K S < S- 0 0 108 -3,-2.2 153,-0.8 153,-0.4 2,-0.6 -0.732 71.1-110.3-101.1 152.3 61.8 -25.9 6.9 47 47 A V E -G 198 0B 54 -2,-0.3 2,-0.3 151,-0.2 151,-0.2 -0.762 40.0-168.6 -86.4 121.8 61.9 -22.5 8.7 48 48 A G E -G 197 0B 0 149,-2.6 149,-2.1 -2,-0.6 2,-0.4 -0.685 10.8-145.5-104.1 159.6 62.4 -19.8 6.2 49 49 A T E -GH 196 66B 36 17,-2.9 17,-2.9 -2,-0.3 2,-0.4 -0.999 7.8-162.5-127.6 135.3 63.2 -16.2 6.7 50 50 A A E -GH 195 65B 1 145,-2.8 145,-1.9 -2,-0.4 2,-0.4 -0.970 2.4-168.0-111.5 133.1 62.0 -13.3 4.5 51 51 A H E -GH 194 64B 70 13,-3.0 13,-2.4 -2,-0.4 2,-0.4 -0.971 2.6-172.1-120.1 131.1 63.5 -9.8 4.6 52 52 A I E -GH 193 63B 1 141,-2.9 141,-2.3 -2,-0.4 2,-0.4 -0.991 7.8-178.3-123.4 133.7 61.8 -6.9 2.9 53 53 A I E +GH 192 62B 86 9,-2.6 9,-2.9 -2,-0.4 2,-0.3 -0.999 7.6 162.6-140.7 129.2 63.6 -3.6 2.5 54 54 A Y E +GH 191 61B 9 137,-2.8 137,-2.5 -2,-0.4 2,-0.3 -0.976 6.9 177.6-143.1 141.0 62.6 -0.3 1.1 55 55 A N E >> -GH 190 60B 59 5,-0.5 4,-1.8 -2,-0.3 5,-0.7 -0.990 34.6-127.9-139.3 161.1 63.8 3.3 1.2 56 56 A S T 45S+ 0 0 17 133,-2.6 134,-0.1 -2,-0.3 26,-0.1 0.450 104.3 58.6 -76.7 -6.5 62.6 6.5 -0.4 57 57 A V T 45S+ 0 0 99 132,-0.2 -1,-0.2 3,-0.1 133,-0.0 0.926 116.9 26.6 -88.9 -59.3 66.2 7.3 -1.6 58 58 A G T 45S- 0 0 52 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.725 92.3-149.5 -73.0 -21.7 66.9 4.2 -3.8 59 59 A K T <5 + 0 0 69 -4,-1.8 20,-1.2 1,-0.2 2,-0.4 0.947 50.2 131.7 49.1 54.8 63.2 3.7 -4.4 60 60 A R E < -HI 55 78B 113 -5,-0.7 2,-0.7 18,-0.2 -5,-0.5 -0.952 49.0-152.1-141.5 120.2 63.7 0.1 -4.7 61 61 A L E -HI 54 77B 2 16,-2.7 16,-2.4 -2,-0.4 2,-0.3 -0.845 25.7-178.4 -93.1 118.4 61.6 -2.5 -2.9 62 62 A S E -HI 53 76B 27 -9,-2.9 -9,-2.6 -2,-0.7 2,-0.3 -0.875 11.1-177.7-120.5 147.8 63.7 -5.6 -2.3 63 63 A A E -HI 52 75B 2 12,-2.9 12,-2.5 -2,-0.3 2,-0.4 -0.996 5.4-172.4-142.8 143.9 63.0 -8.9 -0.8 64 64 A V E -HI 51 74B 40 -13,-2.4 -13,-3.0 -2,-0.3 2,-0.4 -0.993 4.4-165.9-130.9 144.9 65.0 -12.1 -0.0 65 65 A V E +HI 50 73B 0 8,-2.3 8,-2.3 -2,-0.4 2,-0.3 -0.992 19.9 170.7-129.2 132.7 63.7 -15.3 1.2 66 66 A S E -HI 49 72B 30 -17,-2.9 -17,-2.9 -2,-0.4 6,-0.2 -0.948 24.5-147.2-146.0 160.4 66.1 -17.9 2.6 67 67 A Y > - 0 0 8 4,-1.9 3,-2.1 -2,-0.3 -19,-0.1 -0.800 39.6-101.1-124.5 162.7 66.5 -21.2 4.4 68 68 A P T 3 S+ 0 0 110 0, 0.0 -20,-0.1 0, 0.0 -1,-0.0 0.747 117.7 66.1 -64.0 -22.3 69.2 -22.4 6.8 69 69 A N T 3 S- 0 0 114 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.544 120.2-108.4 -75.6 -2.4 70.9 -24.4 4.1 70 70 A G < + 0 0 52 -3,-2.1 2,-0.1 1,-0.3 -1,-0.1 0.297 69.5 144.6 98.1 -13.5 71.6 -21.1 2.4 71 71 A D + 0 0 69 -5,-0.0 -4,-1.9 -30,-0.0 2,-0.3 -0.437 26.1 178.5 -63.0 141.3 69.3 -21.2 -0.5 72 72 A S E -I 66 0B 65 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.988 25.4-160.3-148.3 143.4 67.9 -17.8 -1.3 73 73 A A E -I 65 0B 7 -8,-2.3 -8,-2.3 -2,-0.3 2,-0.4 -0.996 16.8-169.1-128.5 137.6 65.6 -16.1 -3.7 74 74 A T E +I 64 0B 81 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.950 9.7 176.2-126.6 143.8 65.8 -12.3 -4.3 75 75 A V E -I 63 0B 6 -12,-2.5 -12,-2.9 -2,-0.4 2,-0.3 -0.991 2.9-177.8-142.2 143.1 63.6 -10.0 -6.1 76 76 A S E -I 62 0B 28 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.989 3.3-170.7-140.0 142.7 63.8 -6.2 -6.4 77 77 A Y E -I 61 0B 73 -16,-2.4 -16,-2.7 -2,-0.3 2,-0.6 -0.995 22.5-131.0-138.3 129.4 61.5 -3.7 -8.1 78 78 A D E +I 60 0B 89 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.2 -0.678 49.0 140.4 -84.6 119.9 62.1 -0.0 -8.7 79 79 A V - 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