==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 03-OCT-96 1CJP . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR S.J.HAMODRAKAS,P.N.KANELLOPOULOS,P.A.TUCKER . 948 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 656 69.2 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 . 412 43.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 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 . 4 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 . 113 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 . 4 12 0 4 14 8 4 8 4 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 0 0 0 0 0 0 0 2 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 0 136 0, 0.0 2,-0.1 0, 0.0 218,-0.0 0.000 360.0 360.0 360.0-172.7 34.4 -7.8 47.0 2 2 A D - 0 0 48 218,-0.1 2,-0.6 230,-0.1 213,-0.0 -0.404 360.0-130.9 -77.1 154.4 32.6 -6.5 44.0 3 3 A T - 0 0 38 -2,-0.1 213,-0.6 2,-0.0 2,-0.4 -0.962 31.7-170.0-106.2 120.5 34.3 -4.2 41.5 4 4 A I E +A 215 0A 4 -2,-0.6 26,-2.7 211,-0.2 2,-0.4 -0.931 22.5 176.8-120.7 139.9 32.1 -1.2 40.8 5 5 A V E +AB 214 29A 2 209,-1.6 209,-2.6 -2,-0.4 2,-0.3 -0.981 28.4 164.9-133.0 122.9 32.3 1.6 38.3 6 6 A A E -AB 213 28A 1 22,-2.3 22,-3.0 -2,-0.4 2,-0.6 -0.978 42.1-141.3-146.4 159.7 29.4 3.9 38.5 7 7 A V E -AB 212 27A 3 205,-2.4 205,-2.3 -2,-0.3 2,-0.3 -0.993 35.3-156.8-118.1 113.2 28.0 7.3 37.6 8 8 A E E -AB 211 26A 0 18,-2.4 18,-1.8 -2,-0.6 2,-0.7 -0.760 22.8-157.4-100.0 145.0 26.0 8.6 40.6 9 9 A L E -AB 210 25A 0 201,-3.2 201,-1.8 -2,-0.3 2,-0.7 -0.916 28.6-167.3-115.7 87.5 23.2 11.1 40.7 10 10 A D E +AB 209 24A 1 14,-2.3 14,-2.2 -2,-0.7 199,-0.3 -0.780 19.2 175.1 -87.3 115.0 23.8 12.1 44.4 11 11 A T + 0 0 1 197,-1.7 198,-0.2 -2,-0.7 -1,-0.1 0.636 64.1 59.9 -93.7 -17.5 21.0 14.1 45.9 12 12 A Y S S- 0 0 65 196,-1.1 2,-0.7 10,-0.1 -1,-0.1 -0.957 78.1-134.1-119.5 121.4 22.2 14.3 49.5 13 13 A P - 0 0 25 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.603 18.3-172.8 -75.6 107.8 25.5 15.9 50.4 14 14 A N > > - 0 0 20 -2,-0.7 5,-2.1 1,-0.2 3,-1.0 -0.850 2.5-173.1 -99.9 93.7 27.4 13.7 52.9 15 15 A T G > 5S+ 0 0 108 -2,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.777 76.1 64.1 -61.1 -29.3 30.3 16.0 53.8 16 16 A D G 3 5S+ 0 0 106 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.797 105.0 44.8 -68.0 -27.9 32.1 13.3 55.8 17 17 A I G < 5S- 0 0 3 -3,-1.0 -1,-0.3 15,-0.1 -2,-0.2 0.202 128.9 -91.6-100.0 16.4 32.6 11.1 52.8 18 18 A G T < 5S+ 0 0 58 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.518 70.8 154.3 93.2 4.9 33.7 13.9 50.5 19 19 A D < - 0 0 13 -5,-2.1 -1,-0.2 1,-0.1 14,-0.0 -0.372 47.8-114.6 -67.2 144.1 30.4 15.0 48.9 20 20 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.303 37.8 -99.5 -68.4 168.5 30.3 18.6 47.7 21 21 A S S S+ 0 0 98 -8,-0.1 -2,-0.0 2,-0.1 -6,-0.0 0.061 100.8 45.7 -84.1 34.5 27.7 20.7 49.7 22 22 A Y S S- 0 0 83 -2,-0.3 -10,-0.1 -10,-0.1 19,-0.1 -0.969 102.5 -66.2-163.1 164.2 25.1 20.3 47.0 23 23 A P + 0 0 29 0, 0.0 17,-2.8 0, 0.0 2,-0.3 -0.315 64.3 163.8 -56.4 141.6 23.4 17.8 44.6 24 24 A H E -BC 10 39A 0 -14,-2.2 -14,-2.3 15,-0.3 2,-0.3 -0.970 38.6-126.1-156.9 165.5 25.9 16.5 42.1 25 25 A I E +BC 9 38A 0 13,-2.1 13,-1.6 -2,-0.3 2,-0.3 -0.871 37.2 176.8-113.4 149.0 26.7 13.8 39.6 26 26 A G E -BC 8 37A 0 -18,-1.8 -18,-2.4 -2,-0.3 2,-0.6 -0.987 34.5-119.7-154.2 161.9 30.0 11.9 39.9 27 27 A I E -BC 7 36A 0 9,-2.1 8,-2.9 -2,-0.3 9,-0.8 -0.937 28.9-165.1-104.6 116.4 32.2 9.2 38.5 28 28 A D E -B 6 0A 0 -22,-3.0 -22,-2.3 -2,-0.6 2,-0.8 -0.916 6.4-171.5-106.8 113.5 32.9 6.5 41.2 29 29 A I E S-B 5 0A 15 -2,-0.6 -24,-0.2 4,-0.3 4,-0.1 -0.875 77.8 -39.7-106.2 98.5 35.7 4.1 40.4 30 30 A K S S+ 0 0 124 -26,-2.7 2,-0.3 -2,-0.8 -1,-0.1 0.611 127.6 73.7 61.2 18.0 35.6 1.4 43.1 31 31 A S S S- 0 0 13 -27,-0.1 4,-0.1 1,-0.1 -2,-0.1 -0.980 76.9-131.8-159.4 145.4 34.8 3.9 45.8 32 32 A V S S+ 0 0 1 203,-0.4 2,-1.2 -2,-0.3 204,-0.1 0.679 92.7 89.4 -70.2 -17.1 31.8 6.0 47.0 33 33 A R S S- 0 0 106 -4,-0.1 -4,-0.3 -14,-0.0 -1,-0.1 -0.724 89.8-127.6 -83.8 97.1 34.3 8.9 47.1 34 34 A S - 0 0 30 -2,-1.2 -6,-0.2 1,-0.1 3,-0.1 -0.083 8.7-143.8 -50.1 141.1 33.9 10.2 43.5 35 35 A K S S+ 0 0 100 -8,-2.9 2,-0.3 1,-0.3 -1,-0.1 0.723 89.6 2.9 -75.3 -26.0 37.0 10.6 41.4 36 36 A K E S-C 27 0A 93 -9,-0.8 -9,-2.1 41,-0.1 -1,-0.3 -0.950 71.7-172.9-161.0 139.8 35.3 13.7 39.9 37 37 A T E -C 26 0A 52 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.792 7.7-160.1-130.5 174.9 32.0 15.5 40.5 38 38 A A E -C 25 0A 21 -13,-1.6 -13,-2.1 -2,-0.2 35,-0.1 -0.958 34.2 -99.3-157.8 138.4 29.9 18.3 39.0 39 39 A K E -C 24 0A 99 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.361 37.8-162.8 -60.8 138.1 27.2 20.5 40.5 40 40 A W - 0 0 6 -17,-2.8 2,-1.7 -30,-0.1 32,-0.1 -0.989 16.6-147.0-130.4 121.9 23.7 19.2 39.6 41 41 A N - 0 0 113 -2,-0.4 -17,-0.1 30,-0.1 -2,-0.0 -0.610 27.3-159.5 -88.2 76.8 20.6 21.4 39.9 42 42 A M - 0 0 35 -2,-1.7 2,-0.6 1,-0.1 25,-0.0 -0.293 4.9-145.5 -57.2 137.1 18.2 18.6 40.7 43 43 A Q > - 0 0 60 3,-0.1 3,-2.0 157,-0.0 156,-0.3 -0.885 13.4-134.1-114.7 104.4 14.6 19.4 40.0 44 44 A N T 3 S+ 0 0 78 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.272 87.2 8.0 -56.1 125.1 12.2 17.8 42.5 45 45 A G T 3 S+ 0 0 39 154,-2.8 2,-0.3 1,-0.3 -1,-0.3 0.382 102.7 113.2 86.4 -5.5 9.2 16.1 40.8 46 46 A K < - 0 0 75 -3,-2.0 153,-0.8 153,-0.4 2,-0.5 -0.733 69.8-114.3-102.6 151.8 10.5 16.6 37.2 47 47 A V E -H 198 0B 46 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.725 38.5-173.4 -84.5 122.4 11.5 13.8 34.8 48 48 A G E -H 197 0B 0 149,-2.3 149,-1.7 -2,-0.5 2,-0.4 -0.632 14.4-137.9-110.7 173.4 15.2 13.9 33.9 49 49 A T E -HI 196 66B 10 17,-2.2 17,-2.2 147,-0.2 2,-0.4 -0.998 8.8-160.9-135.7 136.3 17.4 12.1 31.5 50 50 A A E -HI 195 65B 1 145,-2.7 145,-1.6 -2,-0.4 2,-0.5 -0.939 2.7-168.9-119.0 135.7 20.9 10.7 31.9 51 51 A H E -HI 194 64B 14 13,-2.5 13,-1.9 -2,-0.4 2,-0.4 -0.992 4.2-174.9-124.8 121.2 23.3 9.8 29.1 52 52 A I E +HI 193 63B 1 141,-2.6 141,-2.5 -2,-0.5 2,-0.3 -0.957 9.2 175.7-115.5 134.0 26.5 7.8 29.9 53 53 A I E +HI 192 62B 20 9,-2.3 9,-2.2 -2,-0.4 2,-0.3 -0.971 6.9 167.4-138.2 154.2 29.0 7.2 27.1 54 54 A Y E -H 191 0B 15 137,-1.7 137,-1.9 -2,-0.3 2,-0.3 -0.955 6.4-178.3-163.0 145.7 32.5 5.5 26.9 55 55 A N E >> -H 190 0B 18 5,-0.4 5,-0.7 -2,-0.3 4,-0.5 -0.983 29.6-133.2-150.3 141.4 34.8 4.3 24.1 56 56 A S T 45S+ 0 0 15 133,-3.2 134,-0.1 -2,-0.3 132,-0.1 0.658 96.5 71.4 -69.4 -17.8 38.2 2.7 24.3 57 57 A V T 45S+ 0 0 20 132,-0.3 -1,-0.2 1,-0.2 482,-0.1 0.989 118.5 14.9 -64.9 -58.9 39.8 4.9 21.7 58 58 A D T 45S- 0 0 10 2,-0.1 -1,-0.2 -3,-0.1 -2,-0.2 0.262 95.5-140.1-102.0 17.7 40.0 8.0 23.9 59 59 A K T <5 + 0 0 71 -4,-0.5 20,-2.1 1,-0.1 2,-0.5 0.736 50.7 138.9 28.5 54.5 39.3 6.2 27.2 60 60 A R E < - J 0 78B 41 -5,-0.7 2,-0.6 18,-0.3 -5,-0.4 -0.978 42.9-152.3-129.7 123.0 37.0 8.8 28.7 61 61 A L E + J 0 77B 4 16,-2.7 16,-1.5 -2,-0.5 2,-0.3 -0.846 25.5 180.0 -92.4 118.3 33.8 8.1 30.6 62 62 A S E -IJ 53 76B 0 -9,-2.2 -9,-2.3 -2,-0.6 2,-0.3 -0.896 12.3-172.1-122.6 153.6 31.3 10.9 30.3 63 63 A A E -IJ 52 75B 2 12,-2.3 12,-1.8 -2,-0.3 2,-0.4 -0.994 4.2-170.5-143.7 145.5 27.8 11.6 31.7 64 64 A V E -IJ 51 74B 2 -13,-1.9 -13,-2.5 -2,-0.3 2,-0.4 -0.998 2.8-169.3-136.7 134.2 25.2 14.3 31.0 65 65 A V E +IJ 50 73B 2 8,-2.2 8,-2.5 -2,-0.4 2,-0.3 -0.996 17.7 168.0-126.0 129.8 22.0 14.8 33.0 66 66 A S E -I 49 0B 1 -17,-2.2 -17,-2.2 -2,-0.4 6,-0.1 -0.915 25.6-154.3-140.4 164.9 19.3 17.2 31.8 67 67 A Y > - 0 0 5 -2,-0.3 3,-0.8 4,-0.2 -19,-0.1 -0.940 46.0 -86.7-132.7 151.2 15.8 18.3 32.3 68 68 A P T 3 S+ 0 0 34 0, 0.0 527,-0.1 0, 0.0 3,-0.1 -0.377 113.7 9.8 -61.3 141.9 13.6 19.9 29.6 69 69 A N T 3 S+ 0 0 156 1,-0.2 2,-0.3 -2,-0.0 526,-0.0 0.935 115.7 94.7 53.4 51.9 14.0 23.7 29.4 70 70 A A S < S- 0 0 27 -3,-0.8 -3,-0.2 524,-0.0 -1,-0.2 -0.978 79.6 -92.1-162.9 158.9 17.0 23.6 31.8 71 71 A D - 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