==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN (AGGLUTININ) 30-APR-99 1QGL . COMPND 2 MOLECULE: PROTEIN (SUCCINYLATED CONCANAVALIN A ); . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.H.NAISMITH . 474 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 68.1 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 . 203 42.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 4 0.8 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 . 58 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 6 0 2 3 5 6 2 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 0 147 0, 0.0 232,-0.0 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0 106.6 26.1 52.4 43.6 2 2 A D - 0 0 53 218,-0.1 2,-0.5 230,-0.1 213,-0.0 -0.317 360.0-121.0 -73.8 162.9 23.3 50.2 42.4 3 3 A T - 0 0 39 2,-0.0 213,-0.6 -2,-0.0 2,-0.4 -0.937 35.5-169.1-105.3 130.9 20.6 51.6 40.1 4 4 A I E +A 215 0A 4 -2,-0.5 26,-3.3 211,-0.2 2,-0.4 -0.982 21.9 176.9-130.4 132.7 17.2 51.3 41.6 5 5 A V E +AB 214 29A 2 209,-1.8 209,-2.6 -2,-0.4 2,-0.3 -0.997 28.2 164.5-125.3 129.3 13.7 51.8 40.3 6 6 A A E -AB 213 28A 2 22,-2.8 22,-3.7 -2,-0.4 2,-0.6 -0.996 42.4-142.0-152.6 157.0 11.0 51.0 42.8 7 7 A V E -AB 212 27A 2 205,-2.3 205,-2.2 -2,-0.3 2,-0.4 -0.987 34.5-156.3-114.5 118.4 7.4 51.2 43.8 8 8 A E E -AB 211 26A 0 18,-2.7 18,-2.1 -2,-0.6 2,-0.9 -0.852 22.3-157.9-106.1 135.6 7.2 51.7 47.6 9 9 A L E -AB 210 25A 2 201,-3.4 201,-1.7 -2,-0.4 2,-0.8 -0.880 29.9-167.2-101.8 90.6 4.4 50.9 50.0 10 10 A D E +AB 209 24A 2 14,-2.6 14,-2.2 -2,-0.9 199,-0.2 -0.759 19.2 176.0 -92.1 109.1 5.6 53.4 52.6 11 11 A T + 0 0 3 197,-0.9 198,-0.2 -2,-0.8 -1,-0.1 0.659 64.1 57.0 -86.7 -16.2 3.9 52.9 56.0 12 12 A Y S S- 0 0 68 196,-0.9 2,-0.5 10,-0.1 -1,-0.1 -0.953 78.8-131.1-124.8 118.0 5.7 55.5 58.1 13 13 A P - 0 0 38 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.479 18.5-173.8 -67.1 110.8 6.0 59.2 57.2 14 14 A N > > + 0 0 27 -2,-0.5 5,-1.7 1,-0.2 3,-1.5 -0.771 8.6 177.2-104.1 84.7 9.5 60.4 57.3 15 15 A T G > 5 + 0 0 83 -2,-1.0 3,-1.4 1,-0.3 -1,-0.2 0.759 69.1 67.4 -62.4 -27.4 8.8 64.1 56.7 16 16 A D G 3 5S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.682 106.4 41.6 -70.6 -13.0 12.4 65.3 57.1 17 17 A I G < 5S- 0 0 6 -3,-1.5 -1,-0.3 15,-0.1 -2,-0.2 0.091 131.5 -80.8-118.1 22.3 13.3 63.5 53.9 18 18 A G T < 5S+ 0 0 54 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.225 76.3 144.7 106.2 -18.4 10.3 64.3 51.7 19 19 A D < - 0 0 14 -5,-1.7 -1,-0.3 -7,-0.1 14,-0.0 -0.215 54.6-114.9 -57.2 145.5 7.6 61.9 52.7 20 20 A P - 0 0 25 0, 0.0 2,-1.0 0, 0.0 -6,-0.1 -0.349 42.7 -98.1 -68.9 166.6 4.0 63.2 52.7 21 21 A S S S+ 0 0 94 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 -0.122 99.8 45.9 -87.2 47.0 2.7 63.3 56.3 22 22 A Y S S- 0 0 81 -2,-1.0 -8,-0.1 -10,-0.1 -10,-0.1 -0.974 102.8 -62.1-169.8 164.2 0.8 60.0 55.9 23 23 A P + 0 0 40 0, 0.0 17,-2.1 0, 0.0 2,-0.3 -0.269 65.5 166.5 -54.9 143.8 1.1 56.4 54.6 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.6 15,-0.2 2,-0.4 -0.990 38.9-129.0-158.0 161.3 1.6 56.5 50.9 25 25 A I E +BC 9 38A 0 13,-1.9 13,-2.0 -2,-0.3 2,-0.3 -0.899 38.7 175.8-111.4 142.0 2.6 54.5 47.8 26 26 A G E -BC 8 37A 0 -18,-2.1 -18,-2.7 -2,-0.4 2,-0.6 -0.973 33.7-121.0-148.0 164.0 5.3 56.1 45.6 27 27 A I E -BC 7 36A 0 9,-2.2 8,-2.4 -2,-0.3 9,-0.8 -0.929 28.0-162.9-108.8 117.2 7.5 55.6 42.6 28 28 A D E -B 6 0A 0 -22,-3.7 -22,-2.8 -2,-0.6 2,-0.6 -0.892 10.0-174.3-106.3 122.1 11.2 55.9 43.3 29 29 A I E S-B 5 0A 13 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.931 79.3 -39.1-112.9 103.8 13.7 56.5 40.5 30 30 A K S S+ 0 0 133 -26,-3.3 2,-0.3 -2,-0.6 -25,-0.1 0.543 127.4 75.1 58.4 8.4 17.2 56.2 42.0 31 31 A S S S- 0 0 16 -27,-0.2 4,-0.2 206,-0.1 -2,-0.1 -0.999 76.8-133.7-151.4 147.7 16.1 58.0 45.1 32 32 A V S S+ 0 0 1 203,-0.3 2,-1.4 -2,-0.3 204,-0.1 0.664 92.0 90.2 -71.2 -15.2 14.1 57.4 48.3 33 33 A R S S- 0 0 104 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.673 88.9-128.7 -85.8 91.4 12.4 60.7 47.5 34 34 A S - 0 0 26 -2,-1.4 -6,-0.2 1,-0.2 3,-0.1 -0.015 6.7-145.2 -41.7 132.6 9.5 59.5 45.4 35 35 A K S S+ 0 0 115 -8,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.775 90.6 7.8 -69.6 -26.3 9.1 61.3 42.1 36 36 A K E S-C 27 0A 112 -9,-0.8 -9,-2.2 41,-0.1 2,-0.3 -0.985 72.6-177.3-155.2 144.0 5.4 60.8 42.6 37 37 A T E -C 26 0A 45 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.931 8.8-159.4-141.6 165.3 3.3 59.6 45.6 38 38 A A E -C 25 0A 21 -13,-2.0 -13,-1.9 -2,-0.3 2,-0.1 -0.988 34.7 -97.1-145.6 146.1 -0.4 59.0 46.4 39 39 A K E -C 24 0A 130 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.394 39.6-163.2 -65.4 140.7 -2.2 58.7 49.7 40 40 A W - 0 0 6 -17,-2.1 2,-1.9 -30,-0.1 32,-0.0 -0.964 18.7-147.9-133.9 118.3 -2.7 55.1 50.9 41 41 A N - 0 0 116 -2,-0.4 2,-0.2 30,-0.1 -17,-0.1 -0.608 25.8-160.0 -84.2 83.4 -5.1 54.0 53.6 42 42 A M - 0 0 32 -2,-1.9 2,-0.7 1,-0.1 -2,-0.0 -0.458 5.2-146.0 -65.0 129.7 -3.0 51.2 54.9 43 43 A Q > - 0 0 49 -2,-0.2 3,-1.9 3,-0.1 156,-0.2 -0.866 13.9-131.9-106.1 105.1 -5.2 48.7 56.8 44 44 A N T 3 S+ 0 0 67 -2,-0.7 156,-0.2 1,-0.2 3,-0.1 -0.283 86.9 9.8 -57.1 122.8 -3.3 47.1 59.7 45 45 A G T 3 S+ 0 0 33 154,-2.6 2,-0.3 1,-0.3 -1,-0.2 0.323 101.2 114.0 92.8 -8.6 -3.7 43.3 59.8 46 46 A K < - 0 0 116 -3,-1.9 153,-0.7 153,-0.3 2,-0.5 -0.712 69.0-113.7-101.7 150.5 -5.4 42.9 56.4 47 47 A V E -G 198 0B 59 -2,-0.3 2,-0.2 151,-0.2 151,-0.2 -0.661 39.7-172.2 -79.2 125.4 -4.1 41.1 53.2 48 48 A G E -G 197 0B 0 149,-2.8 149,-2.0 -2,-0.5 2,-0.4 -0.693 14.2-138.1-115.9 170.8 -3.5 43.6 50.4 49 49 A T E -GH 196 66B 38 17,-2.6 17,-2.6 147,-0.2 2,-0.4 -0.988 9.9-163.7-132.6 138.8 -2.6 43.3 46.7 50 50 A A E -GH 195 65B 1 145,-2.5 145,-1.5 -2,-0.4 2,-0.4 -0.971 1.5-169.4-124.3 137.2 -0.2 45.3 44.6 51 51 A H E -GH 194 64B 75 13,-2.8 13,-2.3 -2,-0.4 2,-0.5 -0.992 2.8-173.0-125.4 126.4 -0.1 45.5 40.8 52 52 A I E +GH 193 63B 2 141,-3.0 141,-2.5 -2,-0.4 2,-0.3 -0.982 10.3 178.7-120.2 129.4 2.8 47.1 39.0 53 53 A I E +GH 192 62B 73 9,-2.7 9,-2.5 -2,-0.5 2,-0.3 -0.945 8.7 162.5-131.8 154.9 2.6 47.6 35.2 54 54 A Y E -GH 191 61B 15 137,-1.5 137,-1.8 -2,-0.3 2,-0.3 -0.940 8.0-178.4-164.4 142.8 4.8 49.1 32.5 55 55 A N E >> -GH 190 60B 44 5,-0.5 4,-2.1 -2,-0.3 5,-0.7 -0.991 31.8-128.0-145.4 148.9 5.2 49.0 28.7 56 56 A S T 45S+ 0 0 17 133,-3.0 134,-0.1 -2,-0.3 26,-0.1 0.610 103.0 64.2 -73.4 -12.6 7.7 50.6 26.4 57 57 A V T 45S+ 0 0 106 132,-0.3 -1,-0.2 1,-0.1 133,-0.1 0.935 117.0 25.5 -76.4 -46.0 5.0 52.1 24.2 58 58 A D T 45S- 0 0 106 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.744 89.3-148.0 -84.7 -27.4 3.5 54.4 26.9 59 59 A K T <5 + 0 0 73 -4,-2.1 20,-2.0 1,-0.2 2,-0.4 0.921 51.0 139.8 55.4 45.4 6.7 54.6 29.0 60 60 A R E < -HI 55 78B 111 -5,-0.7 2,-0.6 18,-0.2 -5,-0.5 -0.982 43.7-156.2-123.4 123.6 4.4 54.9 32.0 61 61 A L E +HI 54 77B 3 16,-3.1 16,-2.3 -2,-0.4 2,-0.4 -0.903 23.6 177.8-101.3 119.1 5.1 53.1 35.3 62 62 A S E -HI 53 76B 22 -9,-2.5 -9,-2.7 -2,-0.6 2,-0.3 -0.931 14.2-171.0-125.6 149.5 1.9 52.5 37.2 63 63 A A E -HI 52 75B 2 12,-2.7 12,-1.8 -2,-0.4 2,-0.4 -0.992 3.0-169.1-137.7 144.1 1.0 50.8 40.5 64 64 A V E -HI 51 74B 41 -13,-2.3 -13,-2.8 -2,-0.3 2,-0.4 -0.998 4.3-172.9-131.8 135.3 -2.3 49.9 42.1 65 65 A V E +HI 50 73B 2 8,-2.2 8,-2.6 -2,-0.4 2,-0.3 -0.996 15.9 164.0-130.5 128.4 -2.6 48.8 45.7 66 66 A S E -H 49 0B 35 -17,-2.6 -17,-2.6 -2,-0.4 6,-0.2 -0.948 28.2-150.8-145.2 165.6 -5.9 47.6 47.1 67 67 A Y > - 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