==== 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 HYDROLASE/HYDROLASE INHIBITOR 02-MAY-99 1EKB . COMPND 2 MOLECULE: ENTEROPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR K.FUETTERER,D.LU,J.E.SADLER,G.WAKSMAN . 246 3 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10409.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 31.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 3 0 5 1 3 0 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 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 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 a 0 0 83 0, 0.0 118,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 118.9 7.6 -15.5 14.9 2 2 A G + 0 0 0 116,-2.8 205,-2.2 1,-0.2 2,-0.4 0.742 360.0 128.7 56.6 30.0 6.4 -13.2 12.2 3 3 A K - 0 0 21 115,-0.3 2,-0.3 203,-0.2 -1,-0.2 -0.952 55.0-136.0-120.2 133.4 3.5 -15.4 11.1 4 4 A K - 0 0 76 -2,-0.4 15,-0.1 1,-0.1 111,-0.1 -0.628 18.4-173.3 -80.0 144.0 -0.2 -14.3 10.7 5 5 A L + 0 0 71 109,-0.6 2,-0.5 13,-0.5 -1,-0.1 0.235 49.5 94.0-126.1 13.8 -2.5 -16.9 12.2 6 6 A V 0 0 48 12,-0.3 -2,-0.0 108,-0.1 109,-0.0 -0.933 360.0 360.0-112.9 131.0 -6.0 -15.8 11.2 7 7 A T 0 0 185 -2,-0.5 -1,-0.1 -3,-0.0 -2,-0.1 0.129 360.0 360.0 -53.6 360.0 -7.7 -17.1 8.1 8 !* 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 9 16 B I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.0 -2.0 5.9 8.3 10 17 B V B +A 189 0A 13 179,-2.9 179,-1.8 1,-0.2 133,-0.1 -0.890 360.0 10.8-108.2 129.7 -2.9 7.9 5.2 11 18 B G S S+ 0 0 54 131,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.694 101.3 121.2 81.9 18.7 -4.1 6.2 2.0 12 19 B G - 0 0 29 -3,-0.4 2,-0.3 130,-0.1 -1,-0.2 -0.284 55.3-122.5-101.4-170.4 -4.4 2.9 3.7 13 20 B S E -B 154 0B 60 141,-2.1 141,-1.8 -2,-0.1 2,-0.3 -0.922 33.6 -85.6-134.2 159.9 -7.3 0.5 4.3 14 21 B D E -B 153 0B 102 -2,-0.3 2,-0.2 139,-0.2 139,-0.2 -0.475 43.4-146.7 -66.2 124.7 -9.1 -1.1 7.3 15 22 B S - 0 0 4 137,-2.6 137,-0.2 -2,-0.3 2,-0.2 -0.619 13.6-122.9 -91.5 153.7 -7.3 -4.2 8.4 16 23 B R > - 0 0 125 -2,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.584 41.9 -71.6 -95.3 160.8 -9.2 -7.2 9.8 17 24 B E T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.2 51,-0.1 -0.166 120.1 17.0 -48.3 133.8 -8.7 -8.8 13.2 18 25 B G T 3 S+ 0 0 11 49,-0.2 -13,-0.5 97,-0.2 -12,-0.3 0.289 87.6 117.9 85.5 -10.5 -5.5 -10.8 13.4 19 26 B A S < S+ 0 0 6 -3,-2.3 -2,-0.1 1,-0.3 -13,-0.1 0.913 91.2 16.3 -54.9 -47.8 -4.0 -9.2 10.3 20 27 B W > + 0 0 16 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.653 69.7 173.3-130.7 75.6 -1.1 -7.8 12.3 21 28 B P T 3 S+ 0 0 4 0, 0.0 96,-1.3 0, 0.0 45,-0.3 0.552 78.5 56.5 -59.8 -10.2 -0.9 -9.6 15.7 22 29 B W T 3 S+ 0 0 0 94,-0.2 16,-2.5 96,-0.1 2,-0.4 0.518 81.2 102.3 -99.9 -8.1 2.4 -7.9 16.7 23 30 B V E < -K 37 0C 4 -3,-1.9 43,-0.5 14,-0.2 44,-0.4 -0.639 54.5-171.9 -78.9 128.8 1.1 -4.3 16.3 24 31 B V E -K 36 0C 0 12,-2.8 12,-1.3 -2,-0.4 2,-0.3 -0.939 19.1-130.6-128.2 147.9 0.3 -2.8 19.7 25 32 B A E -KL 35 64C 0 39,-2.3 39,-2.7 -2,-0.4 2,-0.5 -0.719 17.9-151.0 -94.9 142.4 -1.3 0.4 20.9 26 33 B L E -KL 34 63C 0 8,-2.5 7,-2.5 -2,-0.3 8,-1.3 -0.948 8.7-169.0-118.0 130.8 0.3 2.7 23.5 27 34 B Y E -KL 32 62C 23 35,-2.8 35,-3.0 -2,-0.5 2,-0.6 -0.965 8.6-163.0-120.4 131.2 -1.6 4.9 25.9 28 35 B F E > S-KL 31 61C 30 3,-2.5 3,-0.5 -2,-0.4 33,-0.2 -0.966 88.4 -12.0-111.1 114.9 -0.1 7.6 28.1 29 37 B D T 3 S- 0 0 91 31,-2.4 -1,-0.2 -2,-0.6 32,-0.1 0.961 132.5 -53.7 56.4 53.2 -2.6 8.5 30.8 30 38 B D T 3 S+ 0 0 112 30,-0.3 2,-0.5 -3,-0.3 -1,-0.2 0.699 114.2 119.9 53.4 28.0 -5.3 6.5 29.0 31 39 B Q E < -K 28 0C 128 -3,-0.5 -3,-2.5 31,-0.0 2,-0.4 -0.978 66.5-128.0-122.7 117.6 -4.7 8.5 25.8 32 40 B Q E +K 27 0C 57 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.517 46.3 150.2 -66.4 117.3 -3.7 6.5 22.7 33 41 B V E + 0 0 24 -7,-2.5 2,-0.3 -2,-0.4 160,-0.3 0.576 52.8 10.4-126.1 -18.1 -0.6 8.3 21.4 34 42 B b E -K 26 0C 6 -8,-1.3 -8,-2.5 160,-0.1 -1,-0.2 -0.966 56.9-121.5-156.6 172.7 1.7 5.8 19.6 35 43 B G E +K 25 0C 4 160,-2.7 12,-0.5 -2,-0.3 2,-0.3 -0.644 24.8 178.1-111.8 171.7 2.2 2.3 18.2 36 44 B A E -K 24 0C 0 -12,-1.3 -12,-2.8 -2,-0.2 2,-0.4 -0.956 23.7-118.2-164.6 166.5 4.8 -0.3 19.0 37 45 B S E -KM 23 45C 0 8,-2.6 8,-2.5 -2,-0.3 2,-0.3 -0.965 19.6-128.4-123.7 134.3 5.7 -3.8 17.9 38 46 B L E + M 0 44C 0 -16,-2.5 81,-2.9 -2,-0.4 6,-0.2 -0.605 31.7 165.0 -77.0 131.4 5.8 -7.0 20.1 39 47 B V - 0 0 14 4,-2.1 2,-0.3 1,-0.3 5,-0.1 0.380 66.9 -2.2-127.6 0.0 9.1 -8.8 19.8 40 48 B S S S- 0 0 13 3,-0.9 -1,-0.3 77,-0.1 79,-0.1 -0.939 87.0 -83.1-170.3 179.4 8.8 -11.2 22.9 41 49 B R S S+ 0 0 111 -2,-0.3 69,-1.1 1,-0.2 3,-0.0 0.667 127.9 29.2 -71.6 -13.3 6.4 -11.9 25.7 42 50 B D S S+ 0 0 25 67,-0.2 64,-3.2 1,-0.1 2,-0.3 0.675 108.9 65.3-119.1 -26.2 8.0 -9.0 27.6 43 51 B W E - N 0 105C 14 62,-0.2 -4,-2.1 60,-0.0 -3,-0.9 -0.829 45.8-170.1-116.5 151.0 9.3 -6.4 25.3 44 52 B L E -MN 38 104C 0 60,-2.1 60,-2.0 -2,-0.3 2,-0.5 -0.961 16.1-143.6-127.2 141.9 8.0 -3.9 22.7 45 53 B V E +MN 37 103C 0 -8,-2.5 -8,-2.6 -2,-0.4 2,-0.2 -0.927 37.1 147.3-106.7 131.7 10.0 -1.8 20.3 46 54 B S E - N 0 102C 0 56,-2.6 56,-2.6 -2,-0.5 2,-0.3 -0.720 48.3 -67.8-144.3-167.3 8.6 1.7 19.7 47 55 B A >> - 0 0 0 -12,-0.5 3,-1.2 54,-0.3 4,-0.8 -0.753 29.4-136.5 -97.8 142.0 9.9 5.2 18.9 48 56 B A H >> S+ 0 0 0 -2,-0.3 4,-1.0 1,-0.3 3,-0.5 0.867 102.5 59.8 -62.2 -39.7 11.9 7.3 21.4 49 57 B H H 34 S+ 0 0 27 1,-0.2 -1,-0.3 2,-0.2 146,-0.0 0.616 96.6 65.0 -68.0 -7.5 10.0 10.6 20.7 50 58 B b H <4 S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.925 115.9 25.7 -76.3 -44.5 6.9 8.7 21.9 51 59 B V H X< S+ 0 0 0 -4,-0.8 3,-1.7 -3,-0.5 2,-0.3 0.329 90.1 129.2-101.4 6.0 8.3 8.4 25.4 52 60 B Y T 3< S+ 0 0 117 -4,-1.0 -3,-0.0 1,-0.3 -5,-0.0 -0.459 82.1 6.0 -67.5 125.2 10.6 11.4 25.5 53 60AB G T 3 S+ 0 0 64 -2,-0.3 -1,-0.3 1,-0.0 -4,-0.0 0.611 128.5 62.7 80.0 11.7 10.1 13.6 28.5 54 60FB R < + 0 0 79 -3,-1.7 -2,-0.1 2,-0.0 6,-0.1 -0.162 69.0 97.9-160.3 47.6 7.6 11.1 30.0 55 60GB N + 0 0 47 1,-0.1 31,-0.4 31,-0.0 -3,-0.1 0.478 61.7 79.5-115.8 -12.1 9.7 8.0 30.6 56 60HB M S S+ 0 0 177 1,-0.3 -1,-0.1 29,-0.1 -2,-0.0 0.767 95.5 45.8 -71.5 -27.8 10.5 8.4 34.3 57 60IB E S > S+ 0 0 118 1,-0.1 3,-1.7 28,-0.0 -1,-0.3 -0.703 71.3 175.3-116.4 77.1 7.1 7.1 35.5 58 61 B P G > + 0 0 30 0, 0.0 3,-1.9 0, 0.0 25,-0.6 0.695 68.9 70.7 -54.7 -28.0 6.6 4.0 33.3 59 62 B S G 3 S+ 0 0 69 1,-0.3 25,-0.1 25,-0.2 26,-0.0 0.524 83.4 74.6 -71.7 -1.8 3.4 2.8 34.9 60 63 B K G < S+ 0 0 66 -3,-1.7 -31,-2.4 23,-0.1 2,-0.4 0.494 85.7 82.5 -84.9 -4.1 1.7 5.8 33.2 61 64 B W E < -L 28 0C 0 -3,-1.9 22,-1.8 22,-0.3 2,-0.4 -0.866 62.6-162.7-106.4 135.0 2.0 3.9 30.0 62 65 B K E -LO 27 82C 69 -35,-3.0 -35,-2.8 -2,-0.4 2,-0.5 -0.944 4.3-158.0-117.1 136.5 -0.5 1.2 28.8 63 66 B A E -LO 26 81C 0 18,-2.6 18,-1.9 -2,-0.4 2,-0.6 -0.962 8.0-163.7-113.6 121.0 0.2 -1.3 26.0 64 67 B V E -LO 25 80C 8 -39,-2.7 -39,-2.3 -2,-0.5 3,-0.4 -0.927 10.8-169.4-110.4 114.5 -2.9 -2.8 24.4 65 68 B L E + O 0 79C 1 14,-2.7 14,-1.4 -2,-0.6 -41,-0.1 -0.654 63.7 23.6-103.9 157.9 -2.4 -6.0 22.4 66 69 B G S S+ 0 0 9 -43,-0.5 -1,-0.2 49,-0.3 2,-0.1 0.742 87.4 158.5 64.4 20.7 -4.6 -7.9 20.0 67 70 B L + 0 0 13 -3,-0.4 -1,-0.2 -44,-0.4 -49,-0.2 -0.453 20.2 162.5 -78.7 150.9 -6.4 -4.6 19.5 68 71 B H + 0 0 31 4,-0.4 84,-1.1 1,-0.3 2,-0.6 0.539 66.0 32.6-127.6 -69.8 -8.5 -4.0 16.4 69 72 B M B > -Q 151 0D 65 3,-0.4 3,-2.9 82,-0.2 -1,-0.3 -0.871 62.1-151.3-102.2 119.0 -10.9 -1.1 16.9 70 73 B A T 3 S+ 0 0 26 80,-2.5 3,-0.1 -2,-0.6 -1,-0.1 0.726 101.4 56.4 -56.0 -23.2 -9.8 1.7 19.2 71 74 B S T 3 S+ 0 0 82 1,-0.2 2,-0.3 79,-0.1 -1,-0.3 0.385 104.9 60.1 -90.2 1.5 -13.4 2.4 20.0 72 75 B N < + 0 0 56 -3,-2.9 -3,-0.4 78,-0.2 3,-0.4 -0.767 44.0 152.5-135.5 92.2 -13.8 -1.2 21.1 73 76 B L + 0 0 100 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.318 63.4 85.6 -96.8 9.0 -11.6 -2.5 24.0 74 77 B T + 0 0 120 3,-0.0 -1,-0.2 2,-0.0 -2,-0.0 0.660 55.9 118.7 -84.4 -16.8 -14.3 -5.1 24.9 75 77AB S > - 0 0 13 -3,-0.4 3,-1.2 1,-0.1 -7,-0.0 -0.221 67.2-132.1 -52.9 137.1 -13.1 -7.8 22.4 76 78 B P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.615 100.2 64.3 -66.5 -16.5 -12.1 -11.0 24.2 77 79 B Q T 3 S+ 0 0 32 -11,-0.1 38,-0.1 2,-0.0 2,-0.1 0.556 83.2 100.1 -86.6 -6.6 -8.8 -11.4 22.3 78 80 B I < - 0 0 23 -3,-1.2 2,-0.3 -5,-0.1 -12,-0.2 -0.352 49.7-171.9 -77.0 157.8 -7.4 -8.2 23.8 79 81 B E E -O 65 0C 30 -14,-1.4 -14,-2.7 -2,-0.1 2,-0.4 -0.975 7.8-152.7-149.6 138.0 -4.9 -8.0 26.6 80 82 B T E -O 64 0C 70 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.908 12.7-179.5-117.6 144.7 -3.6 -4.9 28.5 81 83 B R E -O 63 0C 38 -18,-1.9 -18,-2.6 -2,-0.4 2,-0.2 -0.999 23.7-128.7-143.2 141.9 -0.3 -4.5 30.3 82 84 B L E -O 62 0C 58 -2,-0.3 25,-2.7 -20,-0.2 2,-0.7 -0.543 35.9-106.9 -84.1 156.8 1.2 -1.7 32.3 83 85 B I E -P 106 0C 1 -22,-1.8 -22,-0.3 -25,-0.6 23,-0.2 -0.799 30.2-174.2 -92.8 116.7 4.7 -0.6 31.3 84 86 B D E - 0 0 86 21,-1.8 2,-0.3 -2,-0.7 -25,-0.2 0.853 69.0 -0.3 -71.0 -43.8 7.4 -1.7 33.8 85 87 B Q E -P 105 0C 102 20,-0.9 20,-2.7 -27,-0.2 2,-0.5 -0.994 54.4-152.1-154.8 145.5 10.3 0.1 32.3 86 88 B I E -P 104 0C 18 -31,-0.4 2,-0.6 -2,-0.3 18,-0.2 -0.984 9.9-169.2-121.4 123.4 11.2 2.3 29.3 87 89 B V E -P 103 0C 30 16,-2.9 16,-2.1 -2,-0.5 2,-0.1 -0.835 10.7-156.7-116.1 94.0 14.7 2.3 27.9 88 90 B I E -P 102 0C 35 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.393 38.0 -91.3 -67.0 142.4 15.2 5.1 25.4 89 91 B N > - 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