==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 25-JUN-11 3SLT . COMPND 2 MOLECULE: SERINE PROTEASE ESPP; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.B.BARNARD,N.NOINAJ,N.C.EASLEY,A.J.KUSZAK,S.K.BUCHANAN . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14515.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 85.6 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 . 198 64.9 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 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 . 21 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 1 0 1 1 1 0 1 1 0 2 1 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 1 996 A H > 0 0 119 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.7 5.4 52.5 13.1 2 997 A H H > + 0 0 164 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.937 360.0 46.3 -71.9 -44.9 5.1 51.6 16.8 3 998 A H H > S+ 0 0 165 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.925 113.2 49.6 -57.2 -49.2 1.4 50.8 16.7 4 999 A A H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 110.5 52.3 -55.0 -43.4 1.8 48.8 13.5 5 1000 A N H X S+ 0 0 84 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.784 107.1 50.5 -65.9 -34.0 4.7 46.9 15.2 6 1001 A K H X S+ 0 0 137 -4,-1.6 4,-2.7 -3,-0.3 -1,-0.2 0.884 110.7 50.1 -71.0 -43.4 2.7 46.0 18.4 7 1002 A E H X S+ 0 0 104 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.967 111.7 46.4 -58.3 -57.6 -0.1 44.6 16.3 8 1003 A A H X S+ 0 0 37 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.913 113.9 49.9 -50.1 -46.6 2.2 42.5 14.1 9 1004 A T H X S+ 0 0 34 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.916 112.3 46.3 -62.3 -46.9 4.0 41.2 17.3 10 1005 A R H X S+ 0 0 128 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.896 116.4 45.8 -59.2 -43.6 0.7 40.3 19.0 11 1006 A N H X S+ 0 0 12 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.957 113.6 46.9 -69.5 -50.2 -0.5 38.6 15.8 12 1007 A A H X S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.2 5,-0.3 0.928 113.4 49.7 -53.0 -50.4 2.7 36.6 15.1 13 1008 A A H X S+ 0 0 41 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.925 110.0 50.2 -60.2 -47.3 2.9 35.5 18.8 14 1009 A A H < S+ 0 0 29 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.930 114.2 45.3 -52.6 -51.0 -0.7 34.3 18.9 15 1010 A L H >< S+ 0 0 5 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.970 113.2 47.1 -61.0 -56.2 -0.2 32.3 15.6 16 1011 A F H >X S+ 0 0 9 -4,-2.9 3,-1.5 1,-0.3 4,-0.5 0.780 97.7 74.7 -62.2 -23.9 3.1 30.7 16.5 17 1012 A S H >X S+ 0 0 46 -4,-1.8 4,-1.6 1,-0.3 3,-0.5 0.693 75.7 76.8 -63.4 -17.6 1.7 29.8 20.0 18 1013 A V H <> S+ 0 0 4 -3,-1.9 4,-3.0 -4,-0.4 -1,-0.3 0.854 88.5 59.5 -62.0 -29.2 -0.4 27.0 18.5 19 1014 A D H <> S+ 0 0 4 -3,-1.5 4,-1.9 -4,-0.3 -1,-0.2 0.868 103.2 52.7 -63.9 -34.7 2.9 25.0 18.3 20 1015 A Y H X S+ 0 0 6 -4,-3.0 3,-0.6 1,-0.2 4,-0.5 0.942 110.3 43.9 -39.7 -60.3 0.2 21.2 20.2 23 1018 A F H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.878 113.0 49.8 -55.8 -48.6 3.0 20.2 22.5 24 1019 A L H >< S+ 0 0 19 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.701 100.4 65.8 -67.3 -25.6 1.1 20.7 25.8 25 1020 A N H << S+ 0 0 13 -4,-2.4 -1,-0.3 -3,-0.6 -2,-0.2 0.688 100.5 50.5 -66.3 -24.2 -1.8 18.6 24.5 26 1021 A E T << S+ 0 0 4 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.2 0.450 88.0 98.2 -97.4 -5.2 0.5 15.5 24.4 27 1022 A V < + 0 0 21 -3,-0.7 2,-0.2 -4,-0.3 152,-0.0 -0.746 49.4 143.9 -80.5 121.9 1.7 16.0 28.0 28 1023 A S - 0 0 24 -2,-0.5 2,-0.3 3,-0.0 -2,-0.1 -0.465 38.5-113.6-132.4-149.6 -0.2 13.8 30.4 29 1024 A N > - 0 0 27 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.896 34.2 -94.9-145.4 176.9 0.4 11.8 33.6 30 1025 A L H >>S+ 0 0 1 -2,-0.3 4,-3.3 1,-0.2 5,-0.7 0.940 119.6 46.2 -66.3 -51.6 0.3 8.2 34.7 31 1026 A N H >5S+ 0 0 11 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.841 114.5 48.9 -62.3 -37.0 -3.2 8.0 36.0 32 1027 A K H 45S+ 0 0 15 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.851 120.0 36.0 -72.9 -34.0 -4.6 9.8 32.9 33 1028 A R H <5S+ 0 0 7 -4,-2.0 -2,-0.2 2,-0.1 -3,-0.2 0.925 135.3 15.6 -81.7 -46.1 -2.7 7.6 30.4 34 1029 A M H <5S- 0 0 3 -4,-3.3 -3,-0.2 1,-0.3 2,-0.2 0.631 90.4-137.8-107.3 -18.0 -2.8 4.1 32.0 35 1030 A G << - 0 0 3 -4,-0.9 2,-0.6 -5,-0.7 -1,-0.3 -0.502 64.0 -21.0 76.4-158.3 -5.5 4.3 34.7 36 1031 A D - 0 0 12 -2,-0.2 -5,-0.0 1,-0.1 235,-0.0 -0.751 59.3-179.1 -88.9 117.3 -4.7 2.7 38.1 37 1032 A L > + 0 0 0 -2,-0.6 3,-0.5 45,-0.0 2,-0.2 0.280 39.3 121.1 -99.0 7.7 -1.9 0.1 37.6 38 1033 A R T 3 S+ 0 0 40 1,-0.2 -2,-0.1 83,-0.0 80,-0.0 -0.479 76.2 1.6 -79.5 142.8 -1.7 -1.1 41.2 39 1034 A D T 3 S+ 0 0 143 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.893 81.4 162.2 51.7 51.9 -2.3 -4.8 42.2 40 1035 A I < - 0 0 6 -3,-0.5 -1,-0.2 1,-0.1 236,-0.1 -0.885 26.2-164.3-102.2 129.2 -2.9 -6.1 38.7 41 1036 A N + 0 0 123 -2,-0.5 -1,-0.1 234,-0.3 264,-0.1 0.857 57.5 94.7 -79.5 -41.9 -2.6 -9.9 38.2 42 1037 A G - 0 0 12 233,-0.3 -2,-0.1 1,-0.1 3,-0.0 -0.141 63.9-146.0 -61.1 150.1 -2.3 -10.2 34.5 43 1038 A E S S+ 0 0 106 262,-0.2 32,-2.5 31,-0.1 2,-0.3 0.471 80.0 33.5 -98.0 -0.1 1.1 -10.4 32.9 44 1039 A A E -A 74 0A 29 261,-2.0 261,-2.0 30,-0.3 2,-0.3 -0.929 68.2-168.8-144.2 167.0 0.2 -8.5 29.7 45 1040 A G E -AB 73 304A 3 28,-2.1 28,-2.3 -2,-0.3 2,-0.3 -0.998 18.9-162.3-162.1 158.7 -2.1 -5.7 28.8 46 1041 A A E +AB 72 303A 38 257,-1.6 257,-3.0 -2,-0.3 2,-0.3 -0.987 25.0 173.8-141.4 136.8 -3.8 -3.7 26.1 47 1042 A W E -AB 71 302A 8 24,-2.4 24,-2.0 -2,-0.3 2,-0.3 -0.959 16.0-159.7-148.4 160.7 -5.4 -0.3 26.8 48 1043 A A E -AB 70 301A 41 253,-2.2 253,-2.4 -2,-0.3 2,-0.3 -0.951 6.9-171.3-143.1 160.0 -7.0 2.6 25.1 49 1044 A R E -AB 69 300A 9 20,-2.4 20,-2.5 -2,-0.3 2,-0.4 -0.991 7.1-167.9-157.4 140.8 -7.7 6.2 26.0 50 1045 A I E -AB 68 299A 84 249,-2.4 249,-3.0 -2,-0.3 2,-0.4 -1.000 6.5-175.7-130.8 133.9 -9.6 9.2 24.7 51 1046 A M E -AB 67 298A 12 16,-2.7 16,-3.4 -2,-0.4 2,-0.4 -0.997 1.4-177.5-125.8 138.1 -9.3 12.8 25.8 52 1047 A S E +AB 66 297A 55 245,-2.3 245,-2.6 -2,-0.4 2,-0.3 -0.994 18.9 152.2-131.5 140.6 -11.4 15.7 24.6 53 1048 A G E -AB 65 296A 6 12,-2.0 12,-1.9 -2,-0.4 2,-0.3 -0.989 30.2-149.0-163.1 159.0 -10.9 19.3 25.7 54 1049 A T E +AB 64 295A 48 241,-2.0 240,-2.0 -2,-0.3 241,-1.6 -0.994 19.1 168.7-140.2 147.5 -11.1 23.0 25.2 55 1050 A G E -AB 63 293A 0 8,-2.1 8,-2.4 -2,-0.3 2,-0.3 -0.855 8.4-165.5-145.3 175.2 -9.0 25.9 26.4 56 1051 A S E -AB 62 292A 38 236,-2.0 236,-2.0 6,-0.3 2,-0.3 -0.989 7.9-178.3-162.3 167.6 -8.5 29.6 25.8 57 1052 A A E >> -A 61 0A 30 4,-2.2 4,-0.9 -2,-0.3 3,-0.6 -0.930 45.6 -57.2-158.1 177.7 -6.3 32.7 26.3 58 1053 A S G >4 S+ 0 0 107 232,-0.5 3,-0.8 -2,-0.3 -1,-0.1 -0.072 109.5 51.9 -60.2 168.8 -6.2 36.5 25.5 59 1054 A G G 34 S- 0 0 35 1,-0.2 40,-1.9 39,-0.1 -1,-0.2 0.496 132.1 -74.9 77.0 5.1 -6.5 37.7 21.9 60 1055 A G G <4 S+ 0 0 47 -3,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.728 81.8 165.7 78.8 22.3 -9.6 35.6 21.6 61 1056 A F E << +A 57 0A 11 -4,-0.9 -4,-2.2 -3,-0.8 2,-0.3 -0.566 2.5 162.1 -71.5 127.1 -7.6 32.4 21.4 62 1057 A S E +AC 56 97A 49 35,-2.2 35,-2.0 -2,-0.3 2,-0.3 -0.976 7.9 173.2-139.3 154.6 -9.7 29.3 21.9 63 1058 A D E -AC 55 96A 5 -8,-2.4 -8,-2.1 -2,-0.3 2,-0.3 -0.979 13.4-167.7-151.8 159.8 -9.0 25.7 21.0 64 1059 A N E -AC 54 95A 77 31,-1.9 31,-2.2 -2,-0.3 2,-0.3 -0.942 12.5-172.5-153.2 147.8 -10.3 22.2 21.4 65 1060 A Y E -AC 53 94A 12 -12,-1.9 -12,-2.0 -2,-0.3 2,-0.4 -0.860 20.4-146.6-138.4 156.6 -8.8 18.8 20.7 66 1061 A T E -AC 52 93A 57 27,-2.4 27,-1.9 -2,-0.3 2,-0.5 -0.991 19.2-169.7-127.9 122.9 -9.5 15.1 20.6 67 1062 A H E -AC 51 92A 1 -16,-3.4 -16,-2.7 -2,-0.4 2,-0.4 -0.962 2.6-174.1-119.0 117.7 -6.6 12.8 21.6 68 1063 A V E +AC 50 91A 64 23,-3.2 23,-3.0 -2,-0.5 2,-0.3 -0.921 9.7 171.4-113.1 140.8 -6.8 9.0 21.0 69 1064 A Q E -AC 49 90A 3 -20,-2.5 -20,-2.4 -2,-0.4 2,-0.3 -0.996 12.2-178.2-150.3 144.0 -4.2 6.6 22.3 70 1065 A V E +AC 48 89A 67 19,-2.1 19,-2.2 -2,-0.3 2,-0.3 -0.969 10.0 173.9-139.7 149.3 -3.7 2.8 22.5 71 1066 A G E -AC 47 88A 7 -24,-2.0 -24,-2.4 -2,-0.3 2,-0.3 -0.972 17.5-151.7-150.3 170.1 -0.9 0.8 24.0 72 1067 A V E +AC 46 87A 84 15,-1.6 15,-1.8 -2,-0.3 2,-0.3 -0.994 22.5 169.0-142.3 141.4 0.3 -2.7 24.8 73 1068 A D E -AC 45 86A 15 -28,-2.3 -28,-2.1 -2,-0.3 2,-0.3 -0.955 31.3-127.3-151.4 169.5 2.6 -4.0 27.5 74 1069 A K E -AC 44 85A 94 11,-2.2 11,-2.3 -2,-0.3 2,-0.6 -0.900 24.0-143.5-111.3 143.1 4.2 -6.8 29.5 75 1070 A K E - C 0 84A 1 -32,-2.5 2,-0.4 -2,-0.3 9,-0.2 -0.956 9.8-156.0-112.9 115.0 4.2 -6.7 33.3 76 1071 A H E - C 0 83A 59 7,-2.8 7,-2.2 -2,-0.6 2,-0.6 -0.697 12.3-139.7 -86.3 132.5 7.3 -8.1 35.0 77 1072 A E E + C 0 82A 108 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.856 31.6 164.5-101.4 121.2 6.7 -9.3 38.6 78 1073 A L E > - C 0 81A 92 3,-2.8 2,-1.5 -2,-0.6 3,-1.2 -0.602 53.1 -57.6-126.1-177.4 9.5 -8.4 41.0 79 1074 A D T 3 S- 0 0 173 1,-0.3 3,-0.1 -2,-0.2 40,-0.1 -0.452 120.3 -25.8 -73.0 91.1 9.9 -8.3 44.8 80 1075 A G T 3 S+ 0 0 21 -2,-1.5 39,-2.6 1,-0.2 40,-0.4 0.776 125.6 94.3 79.0 29.0 7.2 -5.9 45.8 81 1076 A L E < -CD 78 118A 31 -3,-1.2 -3,-2.8 37,-0.2 2,-0.5 -0.984 54.7-161.2-152.7 133.6 7.3 -4.2 42.4 82 1077 A D E -CD 77 117A 31 35,-2.3 35,-2.6 -2,-0.3 2,-0.6 -0.984 14.3-164.4-115.3 129.7 5.4 -4.6 39.2 83 1078 A L E -CD 76 116A 49 -7,-2.2 -7,-2.8 -2,-0.5 2,-0.6 -0.948 2.5-161.2-121.6 117.4 7.1 -3.1 36.2 84 1079 A F E -CD 75 115A 0 31,-3.2 31,-2.5 -2,-0.6 2,-0.4 -0.881 9.2-177.0-101.4 121.5 5.1 -2.5 33.0 85 1080 A T E +CD 74 114A 53 -11,-2.3 -11,-2.2 -2,-0.6 2,-0.3 -0.985 24.1 128.5-119.3 123.5 7.1 -2.0 29.8 86 1081 A G E -CD 73 113A 8 27,-2.1 27,-2.2 -2,-0.4 2,-0.2 -0.931 46.7-103.3-159.8-177.4 5.3 -1.3 26.6 87 1082 A F E -CD 72 112A 134 -15,-1.8 -15,-1.6 -2,-0.3 2,-0.3 -0.768 27.3-167.7-117.2 162.9 4.6 0.7 23.4 88 1083 A T E -CD 71 111A 4 23,-1.9 23,-2.2 -2,-0.2 2,-0.3 -0.994 11.3-160.5-154.2 149.9 2.0 3.3 22.5 89 1084 A V E -CD 70 110A 77 -19,-2.2 -19,-2.1 -2,-0.3 2,-0.3 -0.971 15.0-166.1-131.6 147.2 0.5 5.2 19.5 90 1085 A T E -CD 69 109A 6 19,-1.6 19,-2.0 -2,-0.3 2,-0.4 -0.945 11.1-163.4-135.1 148.6 -1.5 8.4 19.6 91 1086 A H E -CD 68 108A 69 -23,-3.0 -23,-3.2 -2,-0.3 2,-0.4 -0.997 11.5-176.1-130.4 134.3 -3.7 10.5 17.3 92 1087 A T E -CD 67 107A 1 15,-2.1 15,-3.1 -2,-0.4 2,-0.4 -0.999 11.1-176.4-135.0 131.8 -4.7 14.1 17.9 93 1088 A D E +CD 66 106A 80 -27,-1.9 -27,-2.4 -2,-0.4 2,-0.3 -0.998 19.9 171.9-117.0 125.3 -7.0 16.4 15.9 94 1089 A S E -CD 65 105A 14 11,-2.7 11,-2.3 -2,-0.4 2,-0.4 -0.964 18.8-157.9-136.6 150.9 -7.2 19.9 17.2 95 1090 A S E +CD 64 104A 41 -31,-2.2 -31,-1.9 -2,-0.3 2,-0.3 -0.971 15.0 179.3-130.1 148.4 -8.7 23.1 16.1 96 1091 A A E +CD 63 103A 7 7,-2.3 7,-2.1 -2,-0.4 2,-0.3 -0.978 5.7 164.4-147.7 154.5 -7.7 26.6 17.0 97 1092 A S E +CD 62 102A 38 -35,-2.0 -35,-2.2 -2,-0.3 2,-0.2 -0.988 6.9 174.3-166.2 165.0 -8.5 30.3 16.4 98 1093 A A E > - 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