==== 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 SUGAR BINDING PROTEIN 22-JUL-01 1JN2 . COMPND 2 MOLECULE: CONCANAVALIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: CANAVALIA ENSIFORMIS; . AUTHOR M.GOEL,D.JAIN,K.J.KAUR,R.KENOTH,B.G.MAIYA,M.J.SWAMY,D.M.SALU . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 68.8 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 . 101 42.6 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 . 0 0.0 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 . 27 11.4 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 1 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 . 1 3 0 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 . 0 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 P A 0 0 145 0, 0.0 2,-0.1 0, 0.0 218,-0.1 0.000 360.0 360.0 360.0 -50.6 0.6 29.6 19.8 2 2 P D - 0 0 52 218,-0.1 2,-0.6 1,-0.1 213,-0.0 -0.317 360.0-145.2 -60.7 133.2 2.0 26.5 18.1 3 3 P T - 0 0 35 -2,-0.1 213,-0.7 2,-0.0 2,-0.4 -0.908 26.1-172.5 -99.5 120.2 0.7 23.2 19.4 4 4 P I E +A 215 0A 3 -2,-0.6 26,-3.4 211,-0.2 2,-0.5 -0.958 24.0 177.9-125.1 133.8 3.6 20.6 19.1 5 5 P V E +AB 214 29A 2 209,-2.1 209,-2.4 -2,-0.4 2,-0.3 -0.999 27.4 168.2-124.4 124.2 3.8 16.9 19.6 6 6 P A E -AB 213 28A 2 22,-3.0 22,-3.1 -2,-0.5 2,-0.6 -0.968 39.8-146.1-141.9 156.3 7.3 15.5 19.0 7 7 P V E -AB 212 27A 3 205,-2.6 205,-2.2 -2,-0.3 2,-0.4 -0.987 33.9-157.9-115.0 116.5 9.6 12.5 19.3 8 8 P E E -AB 211 26A 0 18,-2.6 18,-2.2 -2,-0.6 2,-0.8 -0.804 23.2-157.2-102.5 142.4 13.2 13.9 19.8 9 9 P L E -AB 210 25A 1 201,-3.1 201,-1.7 -2,-0.4 2,-0.8 -0.907 30.7-164.8-109.2 89.7 16.5 12.2 19.2 10 10 P D E +AB 209 24A 2 14,-2.2 14,-2.2 -2,-0.8 199,-0.2 -0.721 20.1 177.0 -89.9 106.2 18.3 14.5 21.7 11 11 P T + 0 0 3 -2,-0.8 198,-0.2 197,-0.8 -1,-0.1 0.659 62.2 59.1 -84.6 -14.7 22.1 14.3 21.3 12 12 P Y S S- 0 0 55 196,-0.9 2,-0.7 10,-0.1 -1,-0.1 -0.947 76.6-130.5-123.7 125.4 23.1 16.9 23.9 13 13 P P + 0 0 32 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.555 22.7 178.1 -76.9 109.1 22.4 16.8 27.7 14 14 P N > > + 0 0 19 -2,-0.7 3,-1.9 1,-0.2 5,-1.5 -0.743 7.6 178.7-104.6 78.5 20.9 20.2 28.9 15 15 P T G > 5 + 0 0 89 -2,-1.0 3,-1.2 1,-0.3 -1,-0.2 0.744 69.2 66.8 -57.3 -25.5 20.4 19.0 32.4 16 16 P D G 3 5S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.727 103.3 44.1 -72.5 -19.6 19.1 22.4 33.5 17 17 P I G < 5S- 0 0 6 -3,-1.9 -1,-0.3 15,-0.1 -2,-0.2 0.110 132.9 -82.3-109.1 23.0 15.9 22.1 31.4 18 18 P G T < 5S+ 0 0 51 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.300 78.0 143.0 106.0 -13.8 15.3 18.5 32.3 19 19 P D < - 0 0 14 -5,-1.5 -1,-0.3 1,-0.1 2,-0.1 -0.270 54.3-114.2 -63.1 151.4 17.4 16.3 30.1 20 20 P P - 0 0 27 0, 0.0 -6,-0.1 0, 0.0 2,-0.1 -0.336 40.6 -98.3 -73.5 167.9 18.9 13.2 31.6 21 21 P S S S+ 0 0 95 -8,-0.1 -2,-0.0 -6,-0.1 -6,-0.0 0.078 101.9 56.2 -83.3 30.6 22.7 13.4 31.8 22 22 P Y S S- 0 0 84 -10,-0.1 -10,-0.1 -2,-0.1 19,-0.1 -0.964 100.4 -76.9-149.9 165.0 23.0 11.4 28.5 23 23 P P + 0 0 37 0, 0.0 17,-2.5 0, 0.0 2,-0.3 -0.413 65.6 164.6 -61.8 143.2 21.9 11.3 24.8 24 24 P H E -BC 10 39A 0 -14,-2.2 -14,-2.2 15,-0.3 2,-0.4 -0.942 39.5-121.1-154.3 169.6 18.3 10.1 24.8 25 25 P I E +BC 9 38A 0 13,-2.0 13,-2.0 -2,-0.3 2,-0.3 -0.909 38.1 177.9-115.7 148.6 15.1 9.9 22.9 26 26 P G E -BC 8 37A 0 -18,-2.2 -18,-2.6 -2,-0.4 2,-0.6 -0.986 34.0-124.4-151.7 160.9 11.9 11.4 24.2 27 27 P I E -BC 7 36A 0 9,-2.1 8,-2.3 -2,-0.3 9,-0.9 -0.948 29.6-164.8-108.3 119.2 8.3 12.2 23.7 28 28 P D E -B 6 0A 0 -22,-3.1 -22,-3.0 -2,-0.6 2,-0.6 -0.940 8.4-173.5-110.3 120.4 7.5 15.9 23.9 29 29 P I E S-B 5 0A 18 -2,-0.5 -24,-0.2 4,-0.3 4,-0.1 -0.912 76.2 -36.9-116.5 102.4 4.0 17.1 24.3 30 30 P K S S+ 0 0 138 -26,-3.4 2,-0.3 -2,-0.6 -25,-0.1 0.573 128.5 65.8 62.0 10.5 3.7 20.9 24.1 31 31 P S S S- 0 0 13 -27,-0.2 -2,-0.2 1,-0.1 4,-0.1 -0.974 79.5-127.6-158.9 148.5 7.0 21.3 25.9 32 32 P V S S+ 0 0 1 205,-0.7 2,-1.4 203,-0.4 204,-0.1 0.617 90.8 93.3 -71.8 -12.2 10.7 20.6 25.4 33 33 P R S S- 0 0 102 204,-0.4 -4,-0.3 -4,-0.1 -1,-0.1 -0.669 86.5-129.2 -85.8 95.0 10.7 18.9 28.8 34 34 P S - 0 0 27 -2,-1.4 -6,-0.2 1,-0.2 3,-0.1 -0.060 8.3-145.3 -47.5 136.7 10.0 15.3 27.6 35 35 P K S S+ 0 0 105 -8,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.709 89.3 8.0 -74.3 -21.0 7.2 13.5 29.3 36 36 P K E S-C 27 0A 97 -9,-0.9 -9,-2.1 41,-0.1 2,-0.3 -0.968 70.4-177.3-160.4 143.5 9.3 10.3 28.9 37 37 P T E -C 26 0A 52 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.905 9.5-157.3-138.9 165.7 12.8 9.5 27.8 38 38 P A E -C 25 0A 21 -13,-2.0 -13,-2.0 -2,-0.3 37,-0.1 -0.996 35.3 -97.7-144.4 144.0 15.0 6.5 27.2 39 39 P K E -C 24 0A 113 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.3 -0.354 39.7-160.1 -62.9 140.1 18.7 6.2 27.1 40 40 P W - 0 0 7 -17,-2.5 2,-1.5 -30,-0.1 32,-0.1 -0.982 15.6-149.3-129.3 123.7 20.1 6.3 23.6 41 41 P N - 0 0 111 -2,-0.4 30,-0.1 30,-0.1 -17,-0.1 -0.589 28.1-161.3 -89.9 74.7 23.5 5.0 22.5 42 42 P M - 0 0 39 -2,-1.5 2,-0.6 1,-0.1 25,-0.0 -0.154 6.7-145.4 -57.5 146.2 24.1 7.4 19.7 43 43 P Q > - 0 0 65 3,-0.2 3,-1.6 156,-0.0 156,-0.3 -0.936 12.2-134.0-121.6 110.4 26.8 6.5 17.1 44 44 P N T 3 S+ 0 0 75 -2,-0.6 156,-0.2 1,-0.2 3,-0.1 -0.391 89.8 4.3 -59.8 126.0 28.7 9.4 15.6 45 45 P G T 3 S+ 0 0 34 154,-2.7 2,-0.3 1,-0.2 -1,-0.2 0.451 99.6 113.0 82.2 -1.7 28.8 8.8 11.8 46 46 P K S < S- 0 0 118 -3,-1.6 153,-0.6 153,-0.3 2,-0.5 -0.841 71.0-112.2-105.3 145.5 26.6 5.7 11.4 47 47 P V E -H 198 0B 57 -2,-0.3 151,-0.2 151,-0.1 2,-0.2 -0.614 39.9-168.0 -75.4 120.2 23.2 5.8 9.6 48 48 P G E -H 197 0B 0 149,-2.7 149,-2.0 -2,-0.5 2,-0.4 -0.523 11.4-140.4-103.4 174.2 20.4 5.2 12.1 49 49 P T E -HI 196 66B 33 17,-2.3 17,-2.5 147,-0.2 2,-0.4 -1.000 9.3-166.5-135.9 133.7 16.6 4.5 11.7 50 50 P A E -HI 195 65B 2 145,-2.6 145,-2.0 -2,-0.4 2,-0.4 -0.963 1.2-168.9-119.2 136.1 13.7 5.8 13.7 51 51 P H E -HI 194 64B 79 13,-2.3 13,-1.9 -2,-0.4 2,-0.4 -0.994 4.5-171.3-122.1 130.2 10.1 4.3 13.6 52 52 P I E +HI 193 63B 0 141,-3.1 141,-2.5 -2,-0.4 2,-0.3 -0.984 9.2 177.0-122.9 131.8 7.2 6.2 15.2 53 53 P I E +HI 192 62B 83 9,-2.6 9,-2.6 -2,-0.4 2,-0.3 -0.969 7.9 169.8-136.6 151.0 3.8 4.7 15.5 54 54 P Y E -HI 191 61B 12 137,-2.1 137,-2.3 -2,-0.3 2,-0.3 -0.967 6.1-176.2-155.3 142.5 0.5 5.6 17.1 55 55 P N E >> -HI 190 60B 44 5,-0.6 4,-1.8 -2,-0.3 5,-0.9 -0.994 29.0-132.0-142.9 147.9 -3.1 4.3 17.0 56 56 P S T 45S+ 0 0 16 133,-3.1 134,-0.1 -2,-0.3 26,-0.0 0.449 100.1 64.2 -74.2 -8.0 -6.3 5.6 18.6 57 57 P V T 45S+ 0 0 102 132,-0.2 -1,-0.2 1,-0.1 133,-0.0 0.943 118.5 23.5 -79.0 -56.5 -7.3 2.3 20.1 58 58 P D T 45S- 0 0 99 2,-0.1 -2,-0.2 20,-0.0 3,-0.1 0.746 93.3-145.7 -76.9 -25.6 -4.4 2.0 22.5 59 59 P K T <5 + 0 0 65 -4,-1.8 20,-2.1 1,-0.2 2,-0.4 0.948 51.0 141.8 56.5 47.1 -3.8 5.8 22.5 60 60 P R E < -IJ 55 78B 86 -5,-0.9 -5,-0.6 18,-0.2 2,-0.6 -0.982 42.5-157.5-126.2 123.0 -0.1 5.0 22.8 61 61 P L E +IJ 54 77B 4 16,-2.8 16,-1.9 -2,-0.4 2,-0.3 -0.886 24.7 175.3 -98.8 122.3 2.7 7.0 20.9 62 62 P S E -IJ 53 76B 22 -9,-2.6 -9,-2.6 -2,-0.6 2,-0.3 -0.927 13.6-172.4-129.8 158.7 5.8 4.8 20.6 63 63 P A E -IJ 52 75B 1 12,-2.0 12,-2.0 -2,-0.3 2,-0.4 -0.995 6.4-166.7-150.1 147.4 9.2 5.2 18.9 64 64 P V E -IJ 51 74B 47 -13,-1.9 -13,-2.3 -2,-0.3 2,-0.4 -0.997 3.3-168.0-133.6 135.8 12.2 3.0 18.3 65 65 P V E +IJ 50 73B 1 8,-2.4 8,-2.6 -2,-0.4 2,-0.3 -0.992 19.5 166.5-125.4 136.3 15.6 4.2 17.1 66 66 P S E -I 49 0B 37 -17,-2.5 -17,-2.3 -2,-0.4 6,-0.2 -0.970 26.9-150.7-147.0 161.8 18.2 1.6 15.9 67 67 P Y - 0 0 10 -2,-0.3 3,-0.4 4,-0.2 -19,-0.1 -0.941 45.9 -87.4-129.2 149.7 21.5 1.1 14.1 68 68 P P S S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.265 112.3 4.8 -57.4 145.0 22.5 -1.9 12.1 69 69 P N S S+ 0 0 176 1,-0.2 2,-0.3 -3,-0.0 -3,-0.0 0.925 117.7 87.3 40.5 69.8 24.1 -4.6 14.3 70 70 P A S S- 0 0 47 -3,-0.4 2,-0.2 0, 0.0 -1,-0.2 -0.945 83.9 -76.7-176.9 169.4 23.5 -2.6 17.5 71 71 P D - 0 0 150 -2,-0.3 2,-0.3 -5,-0.1 -4,-0.2 -0.543 38.1-134.2 -88.1 154.2 20.8 -2.2 20.1 72 72 P S - 0 0 60 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.718 8.6-142.5-102.0 151.8 17.7 -0.2 19.6 73 73 P A E -J 65 0B 13 -8,-2.6 -8,-2.4 -2,-0.3 2,-0.3 -0.929 20.3-173.4-110.0 138.8 16.2 2.3 22.1 74 74 P T E -J 64 0B 80 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.948 8.3-179.6-133.3 153.9 12.4 2.5 22.5 75 75 P V E -J 63 0B 7 -12,-2.0 -12,-2.0 -2,-0.3 2,-0.3 -0.978 5.3-172.7-151.0 141.6 10.1 4.9 24.5 76 76 P S E -J 62 0B 24 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.967 4.0-175.1-138.0 155.8 6.3 4.9 24.7 77 77 P Y E -J 61 0B 76 -16,-1.9 -16,-2.8 -2,-0.3 2,-0.6 -0.988 27.5-122.1-155.6 136.7 3.8 7.2 26.3 78 78 P D E +J 60 0B 106 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.738 46.6 154.4 -82.1 119.7 0.0 7.1 26.7 79 79 P V - 0 0 16 -20,-2.1 2,-1.0 -2,-0.6 3,-0.1 -0.965 42.2-143.1-153.5 131.6 -1.5 10.1 25.0 80 80 P D >> - 0 0 50 -2,-0.3 3,-1.7 1,-0.2 4,-0.5 -0.823 17.1-167.4 -91.4 98.5 -4.9 10.8 23.6 81 81 P L H >> S+ 0 0 3 -2,-1.0 4,-3.0 1,-0.3 3,-1.0 0.774 79.9 72.5 -62.1 -24.7 -3.9 13.0 20.6 82 82 P D H 34 S+ 0 0 53 1,-0.3 -1,-0.3 2,-0.2 100,-0.1 0.739 101.6 46.3 -60.1 -24.3 -7.6 14.1 20.0 83 83 P N H <4 S+ 0 0 128 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.614 119.8 36.5 -92.7 -17.6 -7.1 16.2 23.1 84 84 P V H << S+ 0 0 31 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.813 109.8 52.5-103.8 -43.2 -3.8 17.7 22.3 85 85 P L S < S- 0 0 6 -4,-3.0 -1,-0.1 1,-0.1 4,-0.1 -0.678 80.0-113.4-102.5 154.5 -3.8 18.4 18.5 86 86 P P - 0 0 52 0, 0.0 95,-0.2 0, 0.0 -1,-0.1 -0.241 42.9-107.5 -66.8 169.6 -6.2 20.2 16.2 87 87 P E S S+ 0 0 66 94,-0.1 94,-1.4 1,-0.1 95,-1.0 0.770 108.2 52.7 -80.2 -15.0 -7.8 17.7 13.8 88 88 P W E S+D 180 0A 122 92,-0.2 129,-0.5 93,-0.1 2,-0.2 -0.968 73.7 155.1-115.3 129.0 -5.8 19.0 10.8 89 89 P V E -DE 179 216A 0 90,-2.4 90,-3.3 -2,-0.5 2,-0.3 -0.801 37.5-124.4-138.6 176.4 -2.0 19.2 11.3 90 90 P R E - 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