==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LECTIN 14-JUL-98 2ENR . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR J.BOUCKAERT,R.LORIS,L.WYNS . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 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 . 104 43.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 26 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 . 0 3 1 1 2 2 2 2 1 0 0 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 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 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 0 148 0, 0.0 218,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.3 29.6 23.4 -47.3 2 2 A D - 0 0 46 218,-0.2 2,-0.6 1,-0.1 213,-0.0 -0.006 360.0-134.2 -54.8 146.4 26.3 25.5 -47.9 3 3 A T - 0 0 35 2,-0.0 213,-0.6 26,-0.0 2,-0.4 -0.907 32.3-173.5 -99.5 114.7 22.9 24.2 -46.6 4 4 A I E +A 215 0A 4 -2,-0.6 26,-2.8 211,-0.2 2,-0.4 -0.952 23.3 174.9-122.2 132.4 20.4 24.6 -49.5 5 5 A V E +AB 214 29A 3 209,-1.8 209,-2.6 -2,-0.4 2,-0.3 -0.988 27.1 167.2-120.7 131.0 16.7 24.1 -49.5 6 6 A A E -AB 213 28A 2 22,-2.4 22,-2.4 -2,-0.4 2,-0.6 -0.995 40.0-141.8-146.4 153.2 15.2 25.1 -52.9 7 7 A V E -AB 212 27A 4 205,-2.6 205,-2.1 -2,-0.3 2,-0.3 -0.978 35.4-159.4-109.2 117.1 12.2 25.0 -55.1 8 8 A E E -AB 211 26A 0 18,-2.2 18,-1.8 -2,-0.6 2,-0.7 -0.745 23.0-158.9-103.3 149.0 13.4 24.5 -58.7 9 9 A L E -AB 210 25A 1 201,-3.0 201,-2.0 -2,-0.3 2,-0.7 -0.964 27.2-167.5-120.9 101.3 11.7 25.2 -62.0 10 10 A D E -AB 209 24A 7 14,-2.5 14,-2.1 -2,-0.7 199,-0.3 -0.876 20.6-179.6-105.8 116.5 13.8 23.0 -64.1 11 11 A T + 0 0 5 197,-1.7 198,-0.2 -2,-0.7 -1,-0.1 0.672 65.3 62.8 -89.7 -18.5 13.5 23.4 -67.9 12 12 A Y S S- 0 0 49 196,-1.0 2,-1.1 12,-0.1 10,-0.1 -0.931 76.1-132.5-114.4 128.6 16.0 20.7 -69.0 13 13 A P + 0 0 40 0, 0.0 2,-1.5 0, 0.0 3,-0.2 -0.571 23.1 177.9 -77.3 93.8 15.6 16.9 -68.4 14 14 A N > > + 0 0 11 -2,-1.1 5,-2.0 1,-0.2 3,-2.0 -0.633 7.1 172.0 -95.4 77.9 18.9 15.6 -67.1 15 15 A T G > 5 + 0 0 84 -2,-1.5 3,-1.3 1,-0.3 -1,-0.2 0.733 69.9 69.0 -57.7 -26.4 17.5 12.1 -66.6 16 16 A D G 3 5S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.770 104.9 41.9 -64.1 -28.8 21.1 10.9 -65.9 17 17 A I G < 5S- 0 0 10 -3,-2.0 -1,-0.2 15,-0.1 -2,-0.2 -0.009 135.7 -87.4-108.8 24.2 20.9 12.9 -62.6 18 18 A G T < 5S+ 0 0 52 -3,-1.3 -3,-0.3 1,-0.3 -2,-0.1 0.469 76.6 146.3 93.8 3.5 17.4 11.8 -61.9 19 19 A D < - 0 0 12 -5,-2.0 -1,-0.3 1,-0.1 14,-0.0 -0.449 51.5-115.1 -65.5 146.7 15.2 14.3 -63.7 20 20 A P - 0 0 24 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.248 39.6 -95.0 -60.4 168.1 11.9 13.1 -65.2 21 21 A S S S+ 0 0 101 -6,-0.1 -2,-0.0 -7,-0.1 3,-0.0 0.024 102.0 49.3 -77.5 25.2 11.8 13.3 -69.1 22 22 A Y S S- 0 0 87 -2,-0.2 19,-0.1 -10,-0.1 -10,-0.1 -0.957 103.5 -69.5-152.2 160.1 10.0 16.6 -69.1 23 23 A P + 0 0 38 0, 0.0 17,-2.2 0, 0.0 2,-0.3 -0.306 65.5 174.4 -40.8 138.1 10.2 20.1 -67.6 24 24 A H E -BC 10 39A 0 -14,-2.1 -14,-2.5 15,-0.3 2,-0.4 -0.993 34.9-130.6-155.7 158.1 9.3 19.7 -63.9 25 25 A I E +BC 9 38A 0 13,-2.4 13,-2.2 -2,-0.3 2,-0.3 -0.888 36.6 174.3-109.0 146.8 9.1 21.6 -60.7 26 26 A G E -BC 8 37A 0 -18,-1.8 -18,-2.2 -2,-0.4 2,-0.5 -0.972 33.7-123.4-151.5 161.9 10.8 19.9 -57.6 27 27 A I E -BC 7 36A 0 9,-2.2 8,-3.0 -2,-0.3 9,-0.9 -0.978 26.3-163.8-113.6 118.2 11.8 20.4 -54.0 28 28 A D E -B 6 0A 0 -22,-2.4 -22,-2.4 -2,-0.5 2,-0.7 -0.910 8.4-171.8-103.7 117.7 15.5 20.0 -53.3 29 29 A I E S-B 5 0A 16 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.944 79.6 -38.6-110.6 103.9 16.6 19.4 -49.7 30 30 A K S S+ 0 0 127 -26,-2.8 2,-0.3 -2,-0.7 -25,-0.1 0.510 127.2 68.9 55.5 16.2 20.4 19.6 -49.8 31 31 A S S S- 0 0 18 -27,-0.1 -2,-0.2 2,-0.1 4,-0.2 -0.978 77.5-127.0-157.2 149.5 20.8 17.8 -53.2 32 32 A V S S+ 0 0 3 203,-0.4 2,-1.1 205,-0.4 204,-0.1 0.671 93.0 88.8 -68.3 -20.2 20.0 18.5 -57.0 33 33 A R S S- 0 0 103 204,-0.1 -4,-0.3 -4,-0.1 -15,-0.1 -0.712 91.0-127.4 -82.2 100.4 18.2 15.2 -57.1 34 34 A S - 0 0 29 -2,-1.1 -6,-0.3 1,-0.1 3,-0.1 -0.192 8.5-142.4 -53.6 142.9 14.8 16.5 -56.1 35 35 A K S S+ 0 0 100 -8,-3.0 2,-0.3 1,-0.3 -7,-0.2 0.753 91.1 8.3 -74.0 -25.9 13.0 14.8 -53.1 36 36 A K E S-C 27 0A 98 -9,-0.9 -9,-2.2 41,-0.1 -1,-0.3 -0.964 72.1-178.0-156.6 139.8 9.7 15.3 -55.0 37 37 A T E -C 26 0A 52 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.925 8.2-165.8-136.0 164.5 8.9 16.5 -58.6 38 38 A A E -C 25 0A 25 -13,-2.2 -13,-2.4 -2,-0.3 2,-0.1 -0.986 36.7 -96.1-146.0 148.2 5.9 17.2 -60.8 39 39 A K E -C 24 0A 109 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.435 38.1-161.4 -65.5 135.6 5.5 17.7 -64.5 40 40 A W - 0 0 6 -17,-2.2 2,-1.7 -30,-0.1 32,-0.1 -0.984 16.3-142.2-122.5 123.3 5.5 21.4 -65.5 41 41 A N - 0 0 117 -2,-0.4 2,-0.1 30,-0.2 -17,-0.1 -0.602 28.5-155.8 -87.4 84.0 4.2 22.6 -68.8 42 42 A M - 0 0 37 -2,-1.7 2,-0.6 -31,-0.1 25,-0.0 -0.366 2.1-148.8 -59.7 131.8 6.8 25.3 -69.4 43 43 A Q > - 0 0 71 3,-0.1 3,-1.7 -2,-0.1 156,-0.3 -0.901 12.7-134.8-115.0 109.1 5.7 28.1 -71.7 44 44 A N T 3 S+ 0 0 67 -2,-0.6 156,-0.2 1,-0.3 3,-0.1 -0.339 86.3 5.0 -58.2 124.2 8.4 29.7 -73.7 45 45 A G T 3 S+ 0 0 32 154,-3.0 2,-0.3 1,-0.2 -1,-0.3 0.453 101.9 114.7 80.2 3.2 8.2 33.5 -73.8 46 46 A K S < S- 0 0 104 -3,-1.7 153,-0.8 153,-0.4 2,-0.5 -0.814 70.4-114.8-104.1 147.9 5.3 33.8 -71.3 47 47 A V E -H 198 0B 59 -2,-0.3 151,-0.2 151,-0.2 2,-0.2 -0.711 39.2-170.7 -74.2 119.3 5.4 35.4 -67.8 48 48 A G E -H 197 0B 0 149,-2.4 149,-1.5 -2,-0.5 2,-0.4 -0.609 12.8-137.6-104.2 174.8 4.8 32.7 -65.2 49 49 A T E -HI 196 66B 36 17,-2.4 17,-2.4 147,-0.2 2,-0.4 -0.995 9.9-163.7-132.9 134.6 4.1 33.0 -61.4 50 50 A A E -HI 195 65B 2 145,-2.8 145,-2.0 -2,-0.4 2,-0.4 -0.945 2.4-170.3-115.5 136.2 5.5 30.8 -58.6 51 51 A H E -HI 194 64B 82 13,-2.3 13,-2.5 -2,-0.4 2,-0.4 -0.998 4.3-174.1-123.0 125.4 4.1 30.7 -55.0 52 52 A I E +HI 193 63B 1 141,-2.4 141,-2.4 -2,-0.4 2,-0.3 -0.982 7.3 179.6-120.6 132.7 6.0 28.8 -52.3 53 53 A I E +HI 192 62B 79 9,-2.4 9,-2.3 -2,-0.4 2,-0.3 -0.987 6.9 165.3-137.1 148.8 4.5 28.4 -48.8 54 54 A Y E -HI 191 61B 17 137,-1.7 137,-1.9 -2,-0.3 2,-0.3 -0.985 7.0-177.7-155.4 148.1 5.6 26.7 -45.5 55 55 A N E >> -HI 190 60B 42 5,-0.5 4,-2.1 -2,-0.3 5,-0.6 -0.985 32.5-126.7-149.9 151.5 4.7 26.7 -41.9 56 56 A S T 45S+ 0 0 17 133,-2.5 134,-0.1 -2,-0.3 -1,-0.1 0.574 103.8 60.1 -71.0 -14.3 6.0 25.0 -38.8 57 57 A V T 45S+ 0 0 99 132,-0.3 -1,-0.2 1,-0.1 133,-0.0 0.969 119.5 24.8 -79.0 -54.2 2.6 23.5 -37.7 58 58 A D T 45S- 0 0 100 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.794 88.6-149.9 -73.8 -28.5 2.1 21.3 -40.9 59 59 A K T <5 + 0 0 74 -4,-2.1 20,-2.0 1,-0.2 2,-0.4 0.921 50.5 134.6 54.5 47.2 5.9 21.1 -41.8 60 60 A R E < -IJ 55 78B 114 -5,-0.6 2,-0.6 18,-0.3 -5,-0.5 -0.993 45.0-157.2-126.9 124.9 4.9 20.9 -45.5 61 61 A L E +IJ 54 77B 4 16,-2.7 16,-2.4 -2,-0.4 2,-0.3 -0.949 24.4 176.8 -99.7 120.0 6.8 23.0 -48.1 62 62 A S E -IJ 53 76B 20 -9,-2.3 -9,-2.4 -2,-0.6 2,-0.4 -0.927 13.6-165.5-127.0 156.3 4.5 23.3 -51.1 63 63 A A E -IJ 52 75B 1 12,-2.2 12,-1.7 -2,-0.3 2,-0.4 -0.997 5.2-163.9-143.8 141.0 4.8 25.3 -54.4 64 64 A V E -IJ 51 74B 46 -13,-2.5 -13,-2.3 -2,-0.4 2,-0.4 -0.998 5.5-169.1-125.9 129.4 2.3 26.2 -57.1 65 65 A V E +IJ 50 73B 3 8,-2.5 8,-2.2 -2,-0.4 2,-0.3 -0.974 15.7 169.5-118.0 131.5 3.5 27.4 -60.6 66 66 A S E -I 49 0B 31 -17,-2.4 -17,-2.4 -2,-0.4 6,-0.1 -0.899 22.9-159.4-140.3 160.4 0.9 28.9 -63.0 67 67 A Y > - 0 0 12 -2,-0.3 3,-1.4 -19,-0.2 -19,-0.1 -0.952 48.6 -78.9-128.8 150.4 0.7 30.7 -66.3 68 68 A P T 3 S+ 0 0 93 0, 0.0 3,-0.1 0, 0.0 -22,-0.0 -0.180 113.0 3.9 -44.6 134.2 -2.2 32.8 -67.4 69 69 A N T 3 S+ 0 0 183 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.683 113.5 104.3 61.3 23.6 -5.2 30.9 -68.8 70 70 A A S < S- 0 0 41 -3,-1.4 2,-0.2 0, 0.0 -1,-0.2 -0.834 76.8 -98.7-128.8 165.3 -3.5 27.6 -68.0 71 71 A D - 0 0 162 -2,-0.3 -30,-0.2 -3,-0.1 2,-0.1 -0.569 43.6-117.9 -82.0 151.9 -3.7 24.9 -65.4 72 72 A S - 0 0 73 -2,-0.2 2,-0.4 -6,-0.1 -6,-0.2 -0.432 10.0-141.1 -87.0 161.5 -1.2 24.9 -62.5 73 73 A A E -J 65 0B 15 -8,-2.2 -8,-2.5 -2,-0.1 2,-0.3 -0.911 24.9-176.7-115.1 148.1 1.5 22.5 -61.5 74 74 A T E -J 64 0B 86 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.992 9.5-177.9-145.8 144.4 1.9 21.9 -57.8 75 75 A V E -J 63 0B 7 -12,-1.7 -12,-2.2 -2,-0.3 2,-0.3 -0.991 6.0-171.4-143.0 148.1 4.4 19.8 -55.7 76 76 A S E -J 62 0B 34 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.988 5.2-169.3-141.2 148.5 4.6 19.3 -51.9 77 77 A Y E -J 61 0B 74 -16,-2.4 -16,-2.7 -2,-0.3 2,-0.7 -0.989 23.5-129.9-144.3 132.3 7.0 17.8 -49.5 78 78 A D E +J 60 0B 103 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.3 -0.730 50.8 144.0 -76.9 110.3 6.8 16.9 -45.7 79 79 A V - 0 0 17 -20,-2.0 2,-0.9 -2,-0.7 3,-0.1 -0.969 48.5-139.5-154.0 130.9 9.9 18.4 -44.3 80 80 A D > - 0 0 40 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.822 15.7-164.1 -89.6 105.8 10.7 20.0 -41.0 81 81 A L G >> S+ 0 0 2 -2,-0.9 4,-2.9 1,-0.3 3,-1.7 0.767 82.4 72.0 -69.5 -18.2 13.0 22.9 -41.9 82 82 A D G 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 5,-0.0 0.771 100.8 47.9 -63.0 -22.0 14.2 23.5 -38.3 83 83 A N G <4 S+ 0 0 136 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.397 119.7 36.8 -97.8 0.3 16.1 20.2 -38.7 84 84 A V T <4 S+ 0 0 29 -3,-1.7 -2,-0.2 -4,-0.2 -3,-0.1 0.726 112.0 47.3-115.8 -42.6 17.6 21.2 -42.0 85 85 A L S < S- 0 0 14 -4,-2.9 -1,-0.2 1,-0.1 4,-0.1 -0.675 79.4-108.1-105.9 155.7 18.5 24.9 -41.9 86 86 A P - 0 0 52 0, 0.0 95,-0.2 0, 0.0 -1,-0.1 -0.281 38.3-109.9 -63.8 165.6 20.2 27.2 -39.4 87 87 A E S S+ 0 0 74 1,-0.1 94,-2.7 93,-0.1 95,-0.7 0.732 108.5 52.2 -79.5 -17.0 17.9 29.7 -37.6 88 88 A W E S+D 180 0A 117 92,-0.2 129,-0.6 93,-0.1 2,-0.2 -0.987 76.8 158.7-112.6 122.4 19.2 32.7 -39.4 89 89 A V E -DE 179 216A 0 90,-2.7 90,-3.4 -2,-0.5 2,-0.3 -0.749 34.7-130.5-130.6 173.7 19.2 32.2 -43.2 90 90 A R E - 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