==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SURFACTANT PROTEIN 21-APR-09 2WGO . COMPND 2 MOLECULE: RANASPUMIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYSTOMOPS PUSTULOSUS; . AUTHOR C.D.MACKENZIE,B.O.SMITH,M.W.KENNEDY,A.COOPER . 98 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 58.2 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 . 22 22.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 13 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 0 1 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 0 1 0 0 1 1 0 0 0 0 0 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 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 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 G 0 0 47 0, 0.0 81,-0.3 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 165.9 8.5 8.2 4.5 2 0 A S + 0 0 1 79,-1.6 80,-0.1 80,-0.1 74,-0.1 0.848 360.0 162.4-101.3 -73.6 9.6 4.6 4.0 3 1 A L + 0 0 113 77,-0.2 3,-0.4 1,-0.1 73,-0.1 0.604 42.6 122.5 61.9 12.2 12.6 3.8 6.2 4 2 A I S S+ 0 0 36 1,-0.3 -1,-0.1 71,-0.2 72,-0.1 0.507 83.8 7.7 -90.2 -3.7 11.6 0.2 5.5 5 3 A L S > S- 0 0 23 3,-0.1 3,-2.7 5,-0.0 -1,-0.3 -0.221 78.5-143.2-174.0 72.0 14.9 -0.9 4.0 6 4 A D T 3 S- 0 0 103 -3,-0.4 72,-0.2 1,-0.3 70,-0.0 -0.189 86.3 -17.0 -48.6 103.5 17.7 1.7 4.3 7 5 A G T 3 S- 0 0 53 70,-2.7 -1,-0.3 -2,-0.2 71,-0.3 0.814 121.5 -65.6 67.6 32.5 19.6 1.4 1.1 8 6 A D S < S+ 0 0 40 -3,-2.7 -2,-0.1 69,-0.2 -1,-0.1 0.980 70.5 162.3 56.1 76.8 18.2 -2.0 0.1 9 7 A L + 0 0 117 3,-0.0 2,-0.9 0, 0.0 3,-0.3 -0.187 15.4 161.1-112.2 38.2 19.5 -4.4 2.8 10 8 A L + 0 0 38 1,-0.2 3,-0.2 -5,-0.1 -5,-0.0 -0.474 12.5 138.4 -71.2 101.0 16.9 -7.0 2.0 11 9 A K S S+ 0 0 161 -2,-0.9 2,-0.5 1,-0.3 -1,-0.2 0.730 73.6 32.1-105.5 -41.4 18.2 -10.3 3.4 12 10 A D + 0 0 132 -3,-0.3 -1,-0.3 1,-0.1 3,-0.1 -0.917 69.3 138.5-125.4 101.7 14.9 -11.6 4.8 13 11 A K - 0 0 88 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.756 65.9 -25.1-103.9 -81.4 11.8 -10.7 3.0 14 12 A L + 0 0 42 40,-0.2 -1,-0.2 1,-0.1 4,-0.0 -0.982 43.1 159.4-147.4 126.1 9.2 -13.5 2.6 15 13 A K + 0 0 197 -2,-0.4 -1,-0.1 2,-0.1 -3,-0.0 0.164 69.8 75.2-122.5 11.3 9.4 -17.3 2.5 16 14 A L S S- 0 0 131 1,-0.3 3,-0.2 0, 0.0 -2,-0.0 -0.578 85.8 -96.5-115.4 171.7 5.8 -17.7 3.3 17 15 A P S S- 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.290 87.0 -13.8 -61.4-157.2 2.4 -17.3 1.5 18 16 A V S S- 0 0 79 1,-0.1 34,-0.2 34,-0.1 3,-0.1 -0.240 78.4-122.7 -49.8 124.5 0.3 -14.1 1.8 19 17 A I B -A 51 0A 32 32,-3.0 32,-1.0 -3,-0.2 5,-0.1 -0.376 41.9 -79.8 -69.3 152.1 1.6 -12.0 4.6 20 18 A D >> - 0 0 97 1,-0.2 4,-1.3 30,-0.1 3,-0.9 -0.242 32.2-129.9 -59.3 139.4 -0.8 -11.0 7.4 21 19 A N H 3> S+ 0 0 85 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.779 108.1 67.0 -61.6 -26.0 -3.1 -8.2 6.5 22 20 A L H 3> S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.921 98.4 50.9 -56.8 -45.6 -2.1 -6.6 9.8 23 21 A F H <> S+ 0 0 82 -3,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.878 112.0 46.7 -63.0 -38.2 1.4 -6.2 8.4 24 22 A G H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 5,-0.2 0.869 109.0 54.3 -69.3 -37.2 -0.1 -4.5 5.4 25 23 A K H X S+ 0 0 58 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.808 107.9 51.5 -64.3 -31.2 -2.3 -2.4 7.6 26 24 A E H X S+ 0 0 96 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.916 110.8 47.2 -69.2 -47.3 0.9 -1.4 9.3 27 25 A L H >X S+ 0 0 5 -4,-2.1 4,-3.4 1,-0.2 3,-0.6 0.991 115.5 44.0 -52.3 -65.5 2.5 -0.5 6.0 28 26 A L H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 15,-0.2 0.749 113.2 54.6 -53.4 -27.7 -0.5 1.5 4.9 29 27 A D H 3< S+ 0 0 88 -4,-1.1 4,-0.3 -5,-0.2 -1,-0.3 0.892 115.0 37.5 -73.9 -40.4 -0.7 3.0 8.4 30 28 A K H << S+ 0 0 113 -4,-2.4 3,-0.5 -3,-0.6 4,-0.2 0.841 123.4 41.8 -79.3 -35.9 2.9 4.2 8.2 31 29 A F S X S+ 0 0 0 -4,-3.4 4,-3.3 -5,-0.2 5,-0.3 0.356 86.2 102.9 -92.0 4.9 2.8 5.2 4.6 32 30 A Q H > S+ 0 0 69 -5,-0.3 4,-2.6 1,-0.2 9,-0.3 0.873 77.7 54.2 -52.6 -41.9 -0.7 6.6 5.2 33 31 A D H > S+ 0 0 114 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.895 112.7 43.0 -63.1 -39.5 0.8 10.1 5.1 34 32 A D H > S+ 0 0 11 -3,-0.3 4,-3.7 -4,-0.2 5,-0.4 0.971 115.0 48.2 -67.6 -54.1 2.4 9.4 1.7 35 33 A I H X>S+ 0 0 0 -4,-3.3 5,-2.0 1,-0.2 4,-1.8 0.840 117.8 42.9 -55.9 -35.0 -0.7 7.7 0.3 36 34 A K H <5S+ 0 0 122 -4,-2.6 -1,-0.2 4,-0.3 -2,-0.2 0.851 115.8 48.2 -81.8 -37.3 -2.8 10.6 1.6 37 35 A D H <5S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.961 122.0 33.9 -63.5 -53.6 -0.4 13.2 0.4 38 36 A K H <5S+ 0 0 71 -4,-3.7 -3,-0.2 -5,-0.1 -2,-0.2 0.966 143.6 4.5 -69.2 -55.3 0.0 11.7 -3.0 39 37 A Y T <5S- 0 0 82 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.793 93.7-118.2-104.7 -37.1 -3.5 10.4 -3.7 40 38 A G < + 0 0 46 -5,-2.0 2,-0.3 -6,-0.2 -4,-0.3 0.901 55.9 153.3 90.2 63.9 -5.5 11.4 -0.7 41 39 A V - 0 0 44 -9,-0.3 2,-0.6 -6,-0.1 -1,-0.2 -0.855 45.3-131.6-126.1 155.2 -6.6 8.1 0.8 42 40 A D > - 0 0 83 -2,-0.3 4,-0.9 1,-0.1 3,-0.3 -0.950 13.7-168.2-105.6 119.8 -7.6 6.7 4.1 43 41 A T T 4 S+ 0 0 3 -2,-0.6 -14,-0.1 1,-0.2 -1,-0.1 0.602 80.5 71.4 -84.7 -11.0 -5.7 3.5 4.9 44 42 A K T 4 S+ 0 0 167 1,-0.2 -1,-0.2 -16,-0.1 -15,-0.1 0.860 102.7 43.1 -71.2 -35.1 -7.9 2.6 7.8 45 43 A D T 4 S+ 0 0 106 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.841 87.2 114.8 -75.4 -34.5 -10.8 1.8 5.4 46 44 A L < - 0 0 4 -4,-0.9 2,-0.9 1,-0.1 18,-0.2 -0.108 61.2-144.3 -49.0 120.1 -8.5 -0.1 3.0 47 45 A K E - B 0 63A 135 16,-1.9 16,-3.5 -22,-0.0 2,-0.3 -0.779 15.1-142.7 -92.2 104.0 -9.6 -3.7 2.9 48 46 A I E + B 0 62A 19 -2,-0.9 14,-0.3 14,-0.3 3,-0.1 -0.515 26.6 171.8 -78.1 130.8 -6.4 -5.8 2.5 49 47 A L E S+ 0 0 74 12,-3.5 2,-0.3 -2,-0.3 13,-0.2 0.812 72.6 4.2-100.0 -45.9 -6.7 -8.8 0.3 50 48 A K E - B 0 61A 95 11,-1.8 11,-2.8 -29,-0.1 2,-0.6 -0.892 59.7-158.9-151.3 110.8 -3.1 -9.9 0.1 51 49 A T E +AB 19 60A 0 -32,-1.0 -32,-3.0 -2,-0.3 2,-0.2 -0.823 42.1 122.3 -90.0 121.5 -0.1 -8.5 1.8 52 50 A S E - B 0 59A 8 7,-1.7 7,-3.0 -2,-0.6 2,-0.3 -0.851 36.8-154.7-155.1-167.7 3.1 -9.4 -0.0 53 51 A E E - B 0 58A 10 5,-0.3 5,-0.2 -2,-0.2 3,-0.1 -0.959 8.9-151.6-169.9 170.0 6.2 -8.0 -1.8 54 52 A D - 0 0 97 3,-1.8 -40,-0.2 -2,-0.3 4,-0.1 0.647 62.9 -51.7-116.6 -81.1 8.7 -8.9 -4.4 55 53 A K S S+ 0 0 123 -42,-0.1 21,-0.0 2,-0.1 -1,-0.0 0.377 121.0 5.7-126.2 -88.5 12.2 -7.3 -4.1 56 54 A R S S+ 0 0 129 19,-0.1 20,-1.9 -3,-0.1 2,-0.3 0.152 124.2 62.7 -91.9 24.0 12.7 -3.6 -3.7 57 55 A F E S- C 0 75A 43 18,-0.3 -3,-1.8 20,-0.1 2,-0.3 -0.989 71.3-135.6-147.4 144.6 9.0 -3.0 -3.4 58 56 A Y E -BC 53 74A 27 16,-1.9 16,-1.0 -2,-0.3 2,-0.4 -0.764 17.0-159.1 -93.8 152.9 6.1 -4.0 -1.2 59 57 A Y E +BC 52 73A 26 -7,-3.0 -7,-1.7 -2,-0.3 2,-0.8 -0.850 12.2 176.9-139.1 99.1 2.8 -5.1 -2.8 60 58 A V E -BC 51 72A 0 12,-2.0 12,-2.7 -2,-0.4 2,-0.4 -0.852 18.3-151.2-109.2 98.0 -0.3 -4.9 -0.7 61 59 A S E +BC 50 71A 18 -11,-2.8 -12,-3.5 -2,-0.8 -11,-1.8 -0.544 29.4 167.7 -66.6 121.7 -3.5 -5.9 -2.6 62 60 A V E -BC 48 70A 0 8,-3.1 8,-0.9 -2,-0.4 2,-0.7 -0.971 42.5-120.5-137.0 151.9 -6.4 -4.0 -1.2 63 61 A D E -BC 47 69A 28 -16,-3.5 -16,-1.9 -2,-0.3 6,-0.2 -0.859 22.5-159.1 -88.5 115.5 -10.0 -3.3 -2.0 64 62 A A - 0 0 36 4,-3.1 -1,-0.1 -2,-0.7 5,-0.1 0.477 33.8-120.5 -77.1 -2.1 -10.1 0.5 -2.2 65 63 A G S S+ 0 0 59 3,-0.3 -1,-0.1 -18,-0.1 4,-0.1 0.232 102.5 90.7 79.4 -15.2 -13.9 0.5 -1.6 66 64 A D S S- 0 0 143 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.434 115.8 -98.5 -89.0 -2.0 -14.0 2.2 -5.0 67 65 A G S S+ 0 0 47 1,-0.4 2,-0.3 0, 0.0 -4,-0.0 0.177 93.2 115.6 100.6 -15.1 -14.3 -1.1 -6.7 68 66 A E - 0 0 49 22,-0.1 -4,-3.1 21,-0.0 2,-0.7 -0.674 55.2-153.5 -90.7 140.7 -10.6 -1.1 -7.5 69 67 A K E -C 63 0A 92 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.796 23.9-175.1-115.1 85.7 -8.3 -3.7 -6.0 70 68 A a E -C 62 0A 4 -8,-0.9 -8,-3.1 -2,-0.7 2,-1.0 -0.592 24.9-141.2 -89.9 142.1 -5.0 -2.0 -6.0 71 69 A K E -CD 61 87A 81 16,-2.4 16,-2.9 -10,-0.3 -10,-0.4 -0.788 29.6-130.9-102.7 88.1 -1.8 -3.7 -4.9 72 70 A F E -CD 60 86A 6 -12,-2.7 -12,-2.0 -2,-1.0 2,-1.0 -0.114 15.4-149.6 -47.9 123.0 -0.0 -0.9 -3.0 73 71 A K E -CD 59 85A 3 12,-0.5 12,-2.3 -14,-0.2 2,-1.4 -0.750 14.9-175.6-104.7 87.7 3.5 -0.6 -4.3 74 72 A I E -C 58 0A 0 -2,-1.0 -16,-1.9 -16,-1.0 2,-0.3 -0.709 18.2-147.3 -87.1 89.9 5.7 0.5 -1.5 75 73 A R E -C 57 0A 71 -2,-1.4 -18,-0.3 -18,-0.3 -71,-0.2 -0.480 27.5-123.6 -52.9 114.9 9.1 1.0 -3.0 76 74 A K >> - 0 0 1 -20,-1.9 2,-1.0 -2,-0.3 4,-0.8 -0.092 30.0 -90.5 -60.9 170.3 11.2 0.1 -0.1 77 75 A D T 34 S+ 0 0 21 1,-0.3 -70,-2.7 2,-0.2 -69,-0.2 0.085 95.9 116.3 -73.2 32.3 13.8 2.6 1.2 78 76 A V T 34 S- 0 0 18 -2,-1.0 -1,-0.3 -71,-0.3 -72,-0.1 0.537 103.1 -19.3 -76.9 -7.3 16.2 0.8 -1.3 79 77 A D T <4 S+ 0 0 108 -3,-0.6 -2,-0.2 1,-0.6 -1,-0.1 0.221 132.9 54.3-172.0 -51.1 16.5 4.0 -3.2 80 78 A V S < S- 0 0 22 -4,-0.8 -1,-0.6 2,-0.2 -77,-0.2 -0.819 70.4-134.3-108.6 149.0 13.7 6.3 -2.3 81 79 A P S S+ 0 0 82 0, 0.0 -79,-1.6 0, 0.0 2,-0.3 0.030 85.2 34.9 -86.8 27.4 12.6 7.5 1.2 82 80 A K S S- 0 0 73 -81,-0.3 2,-0.4 -6,-0.2 -2,-0.2 -0.912 99.5 -66.8-159.4-178.8 9.0 6.8 0.5 83 81 A M - 0 0 0 -2,-0.3 -9,-0.2 -9,-0.1 -7,-0.1 -0.728 38.3-157.3 -83.7 132.4 6.4 4.6 -1.2 84 82 A V - 0 0 44 -11,-0.5 2,-0.2 -2,-0.4 -10,-0.2 0.878 54.2 -54.5 -80.5 -38.9 6.7 5.0 -5.0 85 83 A G E -D 73 0A 0 -12,-2.3 -12,-0.5 2,-0.0 2,-0.2 -0.688 49.8 -93.1-168.7-142.9 3.2 3.9 -6.1 86 84 A R E -D 72 0A 64 12,-0.5 2,-1.9 -14,-0.3 -14,-0.3 -0.794 24.8-130.3-172.9 114.6 0.6 1.3 -6.0 87 85 A K E +D 71 0A 30 -16,-2.9 -16,-2.4 -2,-0.2 11,-0.1 -0.518 45.4 162.5 -80.4 81.3 0.0 -1.5 -8.5 88 86 A a + 0 0 4 -2,-1.9 -18,-0.1 -18,-0.3 -27,-0.0 0.171 23.7 100.8 -76.2-159.2 -3.7 -1.1 -9.2 89 87 A R - 0 0 90 4,-0.1 4,-0.1 5,-0.0 -21,-0.0 0.919 53.3-150.7 76.1 96.8 -5.7 -2.5 -12.1 90 88 A K S S+ 0 0 99 2,-0.1 3,-0.2 1,-0.1 -22,-0.1 0.986 76.2 17.0 -66.6 -73.3 -7.5 -5.6 -11.0 91 89 A D S S+ 0 0 142 1,-0.3 2,-0.5 0, 0.0 -1,-0.1 0.961 131.3 15.3 -75.1 -54.7 -8.0 -8.1 -13.9 92 90 A D + 0 0 133 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.949 66.6 175.7-132.4 113.4 -5.6 -7.0 -16.6 93 91 A D + 0 0 73 -2,-0.5 -4,-0.1 -3,-0.2 3,-0.1 -0.587 13.6 179.0-105.7 173.9 -2.6 -4.6 -16.0 94 92 A D + 0 0 129 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 0.494 55.8 89.6-140.7 -50.9 0.1 -3.5 -18.4 95 93 A D - 0 0 82 1,-0.2 -1,-0.1 3,-0.0 3,-0.0 -0.352 52.8-165.7 -53.5 129.6 2.4 -1.1 -16.5 96 94 A D S S+ 0 0 140 -3,-0.1 -1,-0.2 -2,-0.1 2,-0.1 0.908 79.0 34.3 -84.7 -51.2 5.2 -3.0 -14.8 97 95 A G 0 0 39 -10,-0.0 -12,-0.0 -12,-0.0 -24,-0.0 -0.215 360.0 360.0 -84.7-174.1 6.2 -0.1 -12.7 98 96 A Y 0 0 109 -2,-0.1 -12,-0.5 -25,-0.1 -25,-0.1 -0.448 360.0 360.0-166.9 360.0 3.7 2.4 -11.3