==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 22-APR-10 3MNZ . COMPND 2 MOLECULE: GP41 MPER-DERIVED PEPTIDE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.I.NICELY,S.M.DENNISON,G.KELSOE,H.-X.LIAO,S.M.ALAM,B.F.HAYN . 441 5 4 3 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20698.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 39.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 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 . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 1 0 0 0 0 1 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 6 5 3 3 10 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 5 1 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 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 1 656 P N > 0 0 119 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-179.7 -1.2 -5.9 -29.7 2 657 P A H > + 0 0 83 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.874 360.0 49.7 -60.2 -40.0 1.2 -3.2 -28.3 3 658 P Q H > S+ 0 0 115 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 113.4 44.8 -66.3 -47.5 -0.5 -3.1 -24.9 4 659 P E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.879 112.4 53.1 -63.3 -39.0 -0.3 -6.9 -24.5 5 660 P L H X S+ 0 0 89 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.889 107.0 52.0 -64.6 -39.6 3.2 -6.9 -25.7 6 661 P L H X S+ 0 0 36 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.914 109.5 48.8 -64.1 -43.3 4.3 -4.3 -23.2 7 662 P E H X S+ 0 0 69 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.901 111.7 50.9 -61.7 -40.7 2.8 -6.3 -20.3 8 663 P L H X S+ 0 0 119 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.954 114.4 41.5 -59.8 -53.5 4.5 -9.4 -21.5 9 664 P D H X S+ 0 0 19 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.902 113.4 54.9 -62.6 -43.9 7.9 -7.7 -21.7 10 665 P K H < S+ 0 0 24 -4,-2.8 4,-0.2 -5,-0.2 -2,-0.2 0.955 115.9 34.9 -54.8 -57.8 7.4 -5.9 -18.5 11 666 P W H >X S+ 0 0 55 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.857 112.9 58.8 -73.5 -33.9 6.7 -9.0 -16.4 12 667 P A H >< S+ 0 0 31 -4,-2.6 3,-1.0 -5,-0.3 -1,-0.2 0.861 100.3 59.1 -60.0 -33.9 9.1 -11.3 -18.2 13 668 P S T 3< S+ 0 0 24 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.613 105.5 50.0 -70.3 -8.7 11.9 -8.9 -17.3 14 669 P L T <4 S+ 0 0 5 -3,-1.6 257,-1.8 -4,-0.2 -1,-0.2 0.450 86.7 121.3-108.8 -5.8 11.0 -9.5 -13.6 15 670 P W B << A 270 0A 166 -3,-1.0 255,-0.2 -4,-0.5 254,-0.1 -0.124 360.0 360.0 -54.1 152.4 11.0 -13.3 -13.8 16 671 P N 0 0 50 253,-1.1 -1,-0.1 252,-0.1 254,-0.1 0.836 360.0 360.0 -63.6 360.0 13.3 -15.6 -11.7 17 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 0 A L 0 0 207 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.0 32.7 -6.8 -17.0 19 1 A D - 0 0 86 1,-0.1 2,-0.3 101,-0.0 101,-0.1 -0.559 360.0-114.2 -79.5 139.5 30.3 -4.8 -14.9 20 2 A I - 0 0 5 99,-0.4 2,-0.4 -2,-0.2 94,-0.1 -0.579 31.7-150.3 -72.8 128.4 28.2 -2.2 -16.6 21 3 A Q - 0 0 134 -2,-0.3 23,-2.0 100,-0.1 2,-0.4 -0.816 7.1-160.0 -97.4 143.8 29.1 1.3 -15.4 22 4 A L E -B 43 0B 20 -2,-0.4 2,-0.6 100,-0.3 21,-0.2 -0.992 2.0-164.6-124.5 127.4 26.6 4.1 -15.3 23 5 A T E -B 42 0B 90 19,-2.9 19,-2.6 -2,-0.4 2,-0.4 -0.955 8.8-165.8-113.0 120.0 27.6 7.8 -15.2 24 6 A Q E -B 41 0B 17 -2,-0.6 17,-0.2 17,-0.2 100,-0.1 -0.888 13.8-132.4-108.4 133.7 25.0 10.3 -14.1 25 7 A S E S+B 40 0B 61 15,-1.9 15,-3.3 -2,-0.4 2,-0.1 -0.988 71.1 24.9-141.0 151.4 25.2 14.0 -14.6 26 8 A P - 0 0 49 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.662 59.3-160.5 -81.6 159.9 24.8 16.6 -13.3 27 9 A S S S+ 0 0 95 1,-0.2 100,-2.4 99,-0.2 2,-0.3 0.801 82.9 20.7 -71.2 -26.7 25.3 15.5 -9.7 28 10 A S E -e 127 0C 63 98,-0.2 2,-0.4 81,-0.0 -1,-0.2 -0.998 65.6-173.0-142.1 144.3 23.5 18.6 -8.6 29 11 A L E -e 128 0C 29 98,-2.6 100,-2.5 -2,-0.3 2,-0.6 -0.970 13.6-151.6-141.5 123.5 21.1 21.0 -10.3 30 12 A A E -e 129 0C 29 -2,-0.4 100,-0.2 98,-0.2 2,-0.2 -0.856 30.6-170.5 -95.1 117.0 19.8 24.3 -8.9 31 13 A M E -e 130 0C 4 98,-3.3 100,-2.8 -2,-0.6 2,-0.4 -0.589 25.4-144.9-111.9 165.4 16.4 24.9 -10.4 32 14 A S > - 0 0 76 -2,-0.2 3,-2.3 98,-0.2 70,-0.2 -0.993 44.5 -94.5-123.5 133.9 13.7 27.6 -10.7 33 15 A G T 3 S+ 0 0 59 -2,-0.4 70,-0.2 1,-0.3 3,-0.1 -0.204 111.3 23.3 -46.1 127.5 10.0 26.6 -10.7 34 16 A G T 3 S+ 0 0 42 68,-3.3 -1,-0.3 1,-0.3 69,-0.1 0.252 93.4 125.9 99.4 -11.9 8.8 26.2 -14.3 35 17 A Q < - 0 0 69 -3,-2.3 67,-2.8 67,-0.2 2,-0.5 -0.340 67.1-107.6 -76.9 160.3 12.2 25.5 -15.9 36 18 A K - 0 0 148 65,-0.2 2,-0.4 -3,-0.1 64,-0.2 -0.786 35.7-160.4 -84.6 127.8 13.1 22.6 -18.0 37 19 A V E - C 0 99B 1 62,-2.6 62,-2.8 -2,-0.5 2,-0.4 -0.943 8.1-173.0-114.1 131.8 15.4 20.2 -16.1 38 20 A T E + C 0 98B 41 -2,-0.4 2,-0.3 60,-0.2 60,-0.2 -0.987 6.5 174.7-128.3 132.0 17.6 17.7 -17.9 39 21 A M E - C 0 97B 1 58,-2.4 58,-2.7 -2,-0.4 2,-0.3 -0.973 15.4-146.8-135.0 153.3 19.7 14.9 -16.5 40 22 A R E -BC 25 96B 143 -15,-3.3 -15,-1.9 -2,-0.3 2,-0.4 -0.853 10.3-161.6-127.5 153.1 21.7 12.2 -18.3 41 23 A a E -BC 24 95B 2 54,-2.9 54,-2.8 -2,-0.3 2,-0.5 -0.991 9.9-169.0-133.7 121.0 22.8 8.6 -17.8 42 24 A K E -BC 23 94B 116 -19,-2.6 -19,-2.9 -2,-0.4 2,-0.3 -0.959 7.1-158.0-115.7 127.5 25.6 7.1 -19.8 43 25 A S E -B 22 0B 7 50,-2.7 -21,-0.2 -2,-0.5 4,-0.1 -0.737 20.6-137.6-103.8 151.6 26.3 3.3 -19.7 44 26 A S S S+ 0 0 55 -23,-2.0 2,-0.3 -2,-0.3 -22,-0.1 0.614 93.0 31.0 -80.2 -13.2 29.5 1.5 -20.5 45 27 A Q S S- 0 0 64 -24,-0.3 -1,-0.1 47,-0.1 -2,-0.0 -0.992 99.8 -87.5-143.0 149.1 27.6 -1.1 -22.5 46 28 A S - 0 0 56 -2,-0.3 47,-0.2 1,-0.1 -2,-0.1 -0.278 26.2-161.2 -56.5 136.5 24.4 -1.1 -24.5 47 29 A L + 0 0 0 45,-2.1 9,-2.7 -4,-0.1 2,-0.6 0.216 53.3 118.5-101.2 11.3 21.3 -1.7 -22.4 48 30 A L E -K 55 0D 64 7,-0.2 2,-0.8 8,-0.1 7,-0.2 -0.703 56.8-147.4 -85.4 117.5 19.2 -2.7 -25.5 49 30AA N E >>> -K 54 0D 29 5,-3.0 4,-2.3 -2,-0.6 3,-0.8 -0.766 4.6-159.9 -82.4 112.7 17.8 -6.3 -25.5 50 30BA S T 345S+ 0 0 99 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.770 85.9 65.4 -64.0 -24.9 17.8 -7.3 -29.1 51 30CA R T 345S+ 0 0 219 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.792 125.6 8.4 -72.5 -28.8 15.3 -10.1 -28.3 52 30DA N T <45S- 0 0 26 -3,-0.8 -2,-0.2 2,-0.2 -1,-0.2 0.365 94.8-124.0-130.8 2.7 12.5 -7.6 -27.3 53 30EA E T <5 + 0 0 151 -4,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.759 64.8 135.1 58.0 28.2 14.0 -4.2 -28.3 54 30FA R E < -K 49 0D 51 -5,-0.6 -5,-3.0 -45,-0.0 2,-0.5 -0.833 54.4-131.8 -99.6 146.4 13.6 -2.8 -24.9 55 31 A N E -K 48 0D 16 19,-0.4 2,-1.8 -2,-0.4 -7,-0.2 -0.871 16.8-138.1 -94.3 127.3 16.3 -0.8 -23.1 56 32 A Y + 0 0 25 -9,-2.7 59,-2.0 -2,-0.5 60,-0.5 -0.458 61.9 115.1 -90.6 67.6 16.8 -2.0 -19.6 57 33 A L E -F 114 0C 0 -2,-1.8 18,-3.0 57,-0.2 2,-0.3 -0.999 40.3-172.2-133.6 135.5 17.1 1.3 -17.8 58 34 A A E -F 113 0C 0 55,-2.5 55,-2.1 -2,-0.4 2,-0.4 -0.925 12.6-143.4-126.0 153.1 14.7 2.8 -15.3 59 35 A W E -FG 112 72C 0 13,-2.6 12,-3.1 -2,-0.3 13,-1.3 -0.954 18.4-170.5-115.8 140.0 14.5 6.2 -13.6 60 36 A Y E -FG 111 70C 0 51,-2.6 51,-1.9 -2,-0.4 2,-0.4 -0.920 17.0-145.1-127.8 152.3 13.5 6.9 -10.0 61 37 A Q E -FG 110 69C 28 8,-2.4 8,-2.5 -2,-0.3 2,-0.4 -0.938 19.0-173.7-108.2 136.8 12.7 9.8 -7.7 62 38 A Q E -F 109 0C 12 47,-3.2 47,-2.8 -2,-0.4 3,-0.1 -0.934 5.6-164.5-137.0 116.7 13.8 9.7 -4.1 63 39 A K > - 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