==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 18-JUN-12 4FMS . COMPND 2 MOLECULE: PROBABLE PORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR B.VAN DEN BERG,E.EREN . 737 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 79.4 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 . 444 60.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 . 72 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 2 2 0 0 2 0 4 8 6 4 2 6 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 7 B Q 0 0 83 0, 0.0 2,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 143.4 -5.2 35.6 -17.4 2 8 B G > - 0 0 5 41,-0.3 4,-2.2 1,-0.2 42,-0.3 -0.678 360.0 -79.5 142.3 157.6 -7.3 36.5 -14.4 3 9 B F T 4 S+ 0 0 59 39,-0.2 39,-3.3 -2,-0.2 -1,-0.2 0.947 128.5 24.7 -52.1 -59.7 -8.6 35.5 -11.0 4 10 B L T >4 S+ 0 0 124 37,-0.2 3,-2.8 1,-0.2 -1,-0.2 0.962 117.4 61.3 -70.0 -55.7 -11.4 33.2 -12.3 5 11 B E T 34 S+ 0 0 135 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.804 114.3 34.2 -42.2 -45.6 -9.8 32.4 -15.7 6 12 B D T 3< S+ 0 0 86 -4,-2.2 -1,-0.3 37,-0.1 2,-0.2 0.106 90.8 127.2-102.5 20.9 -6.7 30.8 -14.1 7 13 B A < - 0 0 28 -3,-2.8 2,-0.4 34,-0.1 34,-0.3 -0.534 40.8-162.2 -77.4 144.3 -8.5 29.3 -11.1 8 14 B K E +A 40 0A 79 32,-3.3 32,-3.4 -2,-0.2 2,-0.4 -0.995 9.6 179.0-128.7 125.6 -8.1 25.6 -10.3 9 15 B A E +A 39 0A 18 -2,-0.4 360,-2.8 30,-0.3 361,-0.7 -0.978 2.6 173.0-131.8 126.3 -10.5 23.6 -8.1 10 16 B S E -AB 38 368A 36 28,-1.6 28,-2.8 -2,-0.4 2,-0.5 -0.972 19.0-159.1-127.0 144.0 -10.4 20.0 -7.1 11 17 B L E -AB 37 367A 64 356,-3.0 356,-3.0 -2,-0.4 2,-0.5 -0.980 20.3-167.4-115.6 115.4 -12.4 18.0 -4.7 12 18 B T E -AB 36 366A 31 24,-2.5 24,-1.9 -2,-0.5 2,-0.4 -0.916 9.9-152.8-110.4 122.6 -10.5 14.8 -3.8 13 19 B A E -AB 35 365A 29 352,-3.0 352,-2.5 -2,-0.5 2,-0.4 -0.796 15.8-173.7 -90.0 131.1 -12.1 11.8 -2.0 14 20 B R E -AB 34 364A 29 20,-2.2 20,-2.9 -2,-0.4 2,-0.6 -0.943 11.9-167.9-134.0 114.0 -9.6 9.7 0.0 15 21 B N E -AB 33 363A 33 348,-3.0 348,-2.3 -2,-0.4 2,-0.5 -0.872 13.8-169.3 -99.9 122.8 -10.5 6.4 1.8 16 22 B F E +AB 32 362A 7 16,-3.6 16,-3.4 -2,-0.6 2,-0.4 -0.956 10.5 174.4-123.8 121.1 -7.7 5.4 4.2 17 23 B H E +AB 31 361A 30 344,-1.7 344,-2.9 -2,-0.5 2,-0.4 -0.990 4.0 178.6-130.4 122.5 -7.5 2.0 5.8 18 24 B L E -AB 30 360A 15 12,-2.8 12,-1.7 -2,-0.4 2,-0.4 -0.984 7.8-175.9-127.2 130.9 -4.6 0.8 7.9 19 25 B H E -AB 29 359A 79 340,-2.4 340,-2.1 -2,-0.4 2,-0.5 -0.998 8.2-171.0-123.8 132.2 -4.1 -2.5 9.8 20 26 B R E -AB 28 358A 48 8,-2.8 8,-1.5 -2,-0.4 2,-0.6 -0.975 8.6-163.5-127.3 121.5 -1.0 -3.0 11.9 21 27 B N E -AB 27 357A 79 336,-3.8 336,-2.8 -2,-0.5 6,-0.2 -0.914 17.1-144.9-102.3 117.3 0.0 -6.3 13.5 22 28 B F E - B 0 356A 54 4,-1.8 2,-0.4 -2,-0.6 334,-0.3 -0.525 6.8-153.2 -79.9 144.4 2.6 -5.9 16.3 23 29 B V 0 0 47 332,-2.1 332,-0.2 -2,-0.2 330,-0.1 -0.981 360.0 360.0-120.6 130.0 5.3 -8.5 16.8 24 30 B G 0 0 115 -2,-0.4 -1,-0.2 328,-0.1 329,-0.1 0.737 360.0 360.0 77.8 360.0 6.9 -9.0 20.2 25 ! 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 26 35 B G 0 0 95 0, 0.0 -4,-1.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -79.9 -1.8 -7.2 19.5 27 36 B K E -A 21 0A 144 -6,-0.2 2,-0.3 329,-0.0 -6,-0.2 -0.869 360.0-152.6-142.6 178.7 -3.1 -5.0 16.7 28 37 B A E -A 20 0A 46 -8,-1.5 -8,-2.8 -2,-0.3 2,-0.3 -0.974 10.9-174.3-151.6 147.4 -4.3 -1.6 15.6 29 38 B E E -A 19 0A 95 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.942 5.0-177.4-150.9 129.6 -6.7 -0.4 12.9 30 39 B E E -A 18 0A 49 -12,-1.7 -12,-2.8 -2,-0.3 2,-0.4 -0.976 3.7-175.9-125.5 140.6 -7.7 3.0 11.6 31 40 B W E +A 17 0A 86 32,-0.4 31,-3.7 -2,-0.4 32,-0.6 -0.934 11.3 169.3-140.7 111.4 -10.2 3.6 8.8 32 41 B T E -AC 16 61A 19 -16,-3.4 -16,-3.6 -2,-0.4 2,-0.5 -0.914 26.8-155.6-128.0 152.7 -11.0 7.1 7.5 33 42 B Q E -AC 15 60A 46 27,-2.1 27,-2.7 -2,-0.3 2,-0.3 -0.999 29.3-176.8-119.5 124.9 -12.9 8.7 4.7 34 43 B S E -AC 14 59A 0 -20,-2.9 -20,-2.2 -2,-0.5 2,-0.4 -0.813 20.2-153.6-123.1 160.6 -11.6 12.2 3.9 35 44 B F E -AC 13 58A 77 23,-3.4 23,-2.3 -2,-0.3 2,-0.5 -1.000 7.9-170.6-135.5 134.4 -12.4 15.1 1.6 36 45 B I E -AC 12 57A 16 -24,-1.9 -24,-2.5 -2,-0.4 2,-0.7 -0.948 4.1-166.2-129.2 107.9 -9.9 17.7 0.4 37 46 B L E -AC 11 56A 56 19,-3.0 19,-3.2 -2,-0.5 2,-0.6 -0.870 7.7-174.8 -94.3 117.0 -11.1 20.7 -1.5 38 47 B D E +AC 10 55A 41 -28,-2.8 -28,-1.6 -2,-0.7 2,-0.6 -0.850 8.3 171.7-116.0 93.3 -8.1 22.4 -3.1 39 48 B A E +AC 9 54A 26 15,-2.6 15,-3.3 -2,-0.6 2,-0.5 -0.904 4.7 178.1-108.4 117.8 -9.1 25.7 -4.8 40 49 B R E -AC 8 53A 106 -32,-3.4 -32,-3.3 -2,-0.6 13,-0.2 -0.972 15.7-148.2-120.4 120.3 -6.4 28.0 -6.1 41 50 B S - 0 0 12 11,-2.6 -37,-0.2 -2,-0.5 -38,-0.1 -0.294 14.9-119.1 -77.1 165.0 -7.4 31.2 -7.9 42 51 B G - 0 0 4 -39,-3.3 2,-0.4 -40,-0.1 10,-0.4 -0.126 42.1 -89.5 -77.5-168.5 -5.6 32.9 -10.7 43 52 B F - 0 0 32 -41,-0.2 -41,-0.3 8,-0.1 8,-0.2 -0.902 34.6-114.9-104.5 139.1 -4.2 36.4 -10.2 44 53 B T - 0 0 53 6,-2.5 2,-0.2 -2,-0.4 -42,-0.1 -0.333 46.9 -97.6 -57.7 153.2 -6.2 39.6 -10.9 45 54 B Q S S+ 0 0 149 -44,-0.1 2,-0.3 4,-0.1 3,-0.2 -0.507 76.0 53.9 -84.5 146.5 -4.6 41.5 -13.8 46 55 B G S S- 0 0 65 -2,-0.2 3,-0.2 1,-0.2 -3,-0.0 -0.792 99.3 -46.8 132.0-169.5 -2.2 44.5 -13.4 47 56 B S S S+ 0 0 110 1,-0.3 2,-0.6 -2,-0.3 33,-0.5 0.865 131.5 37.2 -69.3 -37.5 1.0 45.5 -11.7 48 57 B V E S- D 0 79A 88 -3,-0.2 2,-0.4 31,-0.1 -1,-0.3 -0.943 83.3-160.5-114.7 107.5 -0.1 44.1 -8.4 49 58 B G E - D 0 78A 3 29,-2.9 29,-2.7 -2,-0.6 2,-0.3 -0.735 2.8-155.4 -90.7 132.8 -2.0 40.8 -8.9 50 59 B F E + D 0 77A 92 -2,-0.4 -6,-2.5 27,-0.2 2,-0.3 -0.845 18.7 162.9-109.0 145.6 -4.3 39.5 -6.1 51 60 B G E - D 0 76A 0 25,-2.4 25,-2.0 -2,-0.3 2,-0.3 -0.910 24.1-139.2-149.2 176.7 -5.4 35.9 -5.5 52 61 B L E - D 0 75A 60 -10,-0.4 -11,-2.6 -2,-0.3 2,-0.5 -0.995 5.4-163.4-145.7 130.8 -6.8 33.5 -3.0 53 62 B D E -CD 40 74A 11 21,-3.0 21,-2.7 -2,-0.3 2,-0.4 -0.978 10.1-168.8-115.9 124.2 -6.0 29.8 -2.1 54 63 B V E -CD 39 73A 31 -15,-3.3 -15,-2.6 -2,-0.5 2,-0.5 -0.936 7.2-171.3-110.8 134.0 -8.6 27.8 -0.2 55 64 B L E -CD 38 72A 15 17,-3.5 17,-2.9 -2,-0.4 2,-0.6 -0.941 7.5-168.0-120.2 105.6 -7.8 24.4 1.3 56 65 B G E -CD 37 71A 11 -19,-3.2 -19,-3.0 -2,-0.5 2,-0.5 -0.852 8.6-173.2 -97.6 118.7 -10.9 22.6 2.7 57 66 B L E +CD 36 70A 11 13,-3.2 13,-1.3 -2,-0.6 2,-0.3 -0.934 12.2 159.2-116.1 131.5 -10.1 19.6 4.9 58 67 B Y E +CD 35 69A 95 -23,-2.3 -23,-3.4 -2,-0.5 2,-0.4 -0.960 6.1 172.3-150.6 137.1 -12.6 17.1 6.3 59 68 B S E -CD 34 68A 2 9,-2.5 9,-2.0 -2,-0.3 2,-0.3 -1.000 8.2-166.7-144.5 137.7 -12.2 13.5 7.6 60 69 B L E -CD 33 67A 44 -27,-2.7 -27,-2.1 -2,-0.4 2,-0.4 -0.926 25.5-112.1-126.5 154.3 -14.5 11.1 9.4 61 70 B K E -C 32 0A 110 5,-2.8 -29,-0.2 -2,-0.3 5,-0.0 -0.673 18.2-172.1 -87.2 129.9 -13.9 7.8 11.2 62 71 B L 0 0 71 -31,-3.7 -30,-0.2 -2,-0.4 -1,-0.1 0.513 360.0 360.0 -97.9 -7.9 -15.3 4.5 9.7 63 72 B D 0 0 58 -32,-0.6 -32,-0.4 3,-0.1 -1,-0.3 -0.832 360.0 360.0 103.3 360.0 -14.4 2.4 12.7 64 ! 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 65 92 B A 0 0 120 0, 0.0 -4,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 154.3 -13.3 11.4 18.1 66 93 B D - 0 0 116 -6,-0.1 -5,-2.8 -4,-0.0 2,-0.3 0.658 360.0 -18.5 -68.3 -26.1 -15.7 10.9 15.1 67 94 B D E -D 60 0A 74 -7,-0.3 2,-0.3 -35,-0.0 -7,-0.2 -0.960 50.8-166.5-167.3 174.1 -14.2 13.5 12.7 68 95 B F E +D 59 0A 51 -9,-2.0 -9,-2.5 -2,-0.3 2,-0.3 -0.935 14.7 152.6-173.0 158.5 -12.1 16.6 12.2 69 96 B G E -D 58 0A 28 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.971 18.6-152.4-179.7 168.2 -11.4 19.3 9.6 70 97 B R E -D 57 0A 64 -13,-1.3 -13,-3.2 -2,-0.3 2,-0.5 -0.964 18.2-132.8-150.2 158.3 -10.3 22.8 8.9 71 98 B L E -D 56 0A 113 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.920 27.1-163.9-118.4 103.4 -10.7 25.5 6.3 72 99 B A E -D 55 0A 0 -17,-2.9 -17,-3.5 -2,-0.5 2,-0.4 -0.742 7.5-174.6 -87.8 129.4 -7.3 26.9 5.4 73 100 B V E -D 54 0A 64 -2,-0.5 15,-2.3 -19,-0.2 2,-0.4 -0.977 6.1-176.6-127.5 134.5 -7.3 30.2 3.5 74 101 B A E -DE 53 87A 0 -21,-2.7 -21,-3.0 -2,-0.4 2,-0.3 -0.993 13.5-150.7-130.3 130.1 -4.3 32.1 2.1 75 102 B G E -DE 52 86A 26 11,-2.8 11,-2.6 -2,-0.4 2,-0.3 -0.676 20.7-166.4 -87.3 152.5 -4.3 35.5 0.4 76 103 B K E -DE 51 85A 22 -25,-2.0 -25,-2.4 -2,-0.3 2,-0.4 -0.997 13.2-162.4-145.8 141.4 -1.6 36.0 -2.2 77 104 B L E -DE 50 84A 74 7,-2.4 7,-1.9 -2,-0.3 2,-0.5 -0.914 6.3-157.3-118.4 146.2 -0.1 39.0 -4.1 78 105 B R E +DE 49 83A 55 -29,-2.7 -29,-2.9 -2,-0.4 2,-0.5 -0.949 13.3 173.4-127.6 114.1 2.0 38.9 -7.3 79 106 B V E > -DE 48 82A 77 3,-1.7 3,-1.2 -2,-0.5 2,-0.3 -0.972 69.8 -49.5-115.7 116.3 4.3 41.7 -8.2 80 107 B S T 3 S- 0 0 77 -33,-0.5 -31,-0.1 -2,-0.5 37,-0.0 -0.455 122.6 -21.7 59.2-119.0 6.4 40.9 -11.3 81 108 B N T 3 S+ 0 0 99 -2,-0.3 35,-2.7 -3,-0.1 2,-0.3 -0.177 119.9 93.9-110.6 37.9 7.9 37.4 -10.6 82 109 B S E < -EF 79 115A 23 -3,-1.2 -3,-1.7 33,-0.2 2,-0.4 -0.964 54.9-158.5-133.5 148.3 7.6 37.6 -6.9 83 110 B E E -EF 78 114A 69 31,-2.6 31,-2.3 -2,-0.3 2,-0.5 -0.988 9.0-162.8-134.2 136.2 4.8 36.3 -4.6 84 111 B L E -EF 77 113A 63 -7,-1.9 -7,-2.4 -2,-0.4 2,-0.4 -0.976 15.0-172.8-114.8 125.0 3.7 37.2 -1.1 85 112 B K E +EF 76 112A 40 27,-2.4 27,-2.2 -2,-0.5 2,-0.4 -0.980 5.2 176.9-123.1 131.8 1.5 34.6 0.6 86 113 B I E +EF 75 111A 100 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.4 -0.999 43.0 33.8-140.1 131.8 -0.2 35.1 3.9 87 114 B G E S-EF 74 110A 20 23,-2.5 23,-2.2 -2,-0.4 2,-0.4 -0.994 97.5 -24.7 137.1-126.3 -2.6 33.0 5.9 88 115 B E E + F 0 109A 19 -15,-2.3 2,-0.2 -2,-0.4 21,-0.2 -0.989 67.0 131.5-132.9 126.4 -2.8 29.2 6.1 89 116 B W E - F 0 108A 19 19,-1.7 19,-2.6 -2,-0.4 -16,-0.1 -0.860 59.3 -85.3-152.6-173.5 -1.5 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