==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-AUG-12 4GJA . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,F.ZINK,M.KROEMER . 674 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 30.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 65 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 6 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 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 0 0 PARALLEL BRIDGES PER LADDER . 2 10 4 6 8 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 2 2 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 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 -5 A L 0 0 128 0, 0.0 2,-0.4 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0 130.0 42.8 135.2 -0.0 2 -4 A T - 0 0 95 146,-0.3 2,-0.4 0, 0.0 149,-0.3 -0.895 360.0-161.3-107.7 134.4 46.4 136.7 0.1 3 -3 A L + 0 0 68 -2,-0.4 151,-0.2 148,-0.1 149,-0.1 -0.974 11.1 176.8-120.1 129.5 49.2 134.9 -1.7 4 -2 A G - 0 0 27 149,-2.3 149,-0.2 -2,-0.4 148,-0.2 0.101 42.6 -99.9-100.9-142.6 52.9 135.5 -0.8 5 -1 A N S S+ 0 0 128 147,-0.6 2,-0.2 146,-0.1 148,-0.2 0.277 77.6 114.4-133.1 12.6 56.0 133.9 -2.2 6 0 A T B -a 153 0A 65 146,-2.9 148,-2.8 172,-0.0 2,-0.3 -0.527 37.1-175.7 -88.0 146.7 56.8 131.3 0.5 7 1 A T - 0 0 83 146,-0.2 2,-0.4 -2,-0.2 170,-0.2 -0.942 10.3-163.4-130.4 148.6 56.8 127.5 0.4 8 2 A S E -B 176 0B 9 168,-2.5 168,-3.6 -2,-0.3 2,-0.3 -1.000 1.2-159.8-138.0 134.4 57.5 125.4 3.5 9 3 A S E -B 175 0B 56 -2,-0.4 2,-0.5 91,-0.3 166,-0.2 -0.891 6.7-157.3-118.8 149.0 58.4 121.8 3.7 10 4 A V E -B 174 0B 9 164,-2.6 164,-2.1 -2,-0.3 2,-0.3 -0.994 19.6-135.5-121.3 120.5 58.2 119.2 6.5 11 5 A I E -B 173 0B 97 -2,-0.5 12,-0.4 162,-0.2 2,-0.3 -0.601 24.0-150.8 -74.3 134.1 60.4 116.2 6.4 12 6 A L E -B 172 0B 2 160,-2.5 160,-1.1 -2,-0.3 159,-1.0 -0.795 6.2-136.0-108.0 153.0 58.5 113.0 7.2 13 7 A T E -G 21 0C 68 8,-2.9 8,-1.9 -2,-0.3 2,-0.8 -0.889 16.5-139.7-106.3 131.7 59.8 109.7 8.8 14 8 A N E -G 20 0C 18 -2,-0.4 2,-0.7 6,-0.2 6,-0.2 -0.862 15.7-169.2 -96.7 112.8 58.6 106.5 7.3 15 9 A Y E >> S-G 19 0C 82 4,-3.4 4,-2.2 -2,-0.8 3,-1.9 -0.901 70.8 -39.7-103.3 108.4 57.8 103.9 9.9 16 10 A M T 34 S- 0 0 89 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.611 100.3 -75.3 56.6 20.1 57.3 100.4 8.3 17 11 A D T 34 S+ 0 0 11 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.515 129.1 79.4 70.3 6.2 55.3 101.9 5.3 18 12 A T T <4 S+ 0 0 18 -3,-1.9 2,-0.4 1,-0.3 -2,-0.2 0.666 87.8 43.6-113.6 -28.1 52.3 102.4 7.6 19 13 A Q E < -G 15 0C 29 -4,-2.2 -4,-3.4 209,-0.0 2,-0.5 -0.996 56.3-176.8-129.4 127.3 53.1 105.6 9.6 20 14 A Y E +G 14 0C 5 -2,-0.4 17,-0.5 -6,-0.2 2,-0.4 -0.991 19.1 169.3-123.6 112.5 54.5 108.8 8.1 21 15 A Y E -G 13 0C 21 -8,-1.9 -8,-2.9 -2,-0.5 15,-0.2 -0.982 17.6-173.2-135.9 146.8 55.2 111.5 10.6 22 16 A G E -H 35 0D 3 13,-2.4 13,-3.3 -2,-0.4 2,-0.4 -0.605 31.3 -95.1-119.0-177.6 56.9 114.9 10.9 23 17 A E E +H 34 0D 105 -12,-0.4 77,-0.5 11,-0.2 2,-0.3 -0.835 31.4 176.4-109.1 145.9 57.7 117.3 13.7 24 18 A I E -H 33 0D 5 9,-1.8 9,-2.5 -2,-0.4 2,-0.4 -0.926 21.3-137.1-135.1 154.4 55.9 120.3 15.0 25 19 A G E -HI 32 98D 8 73,-1.9 73,-2.7 -2,-0.3 2,-0.4 -0.971 15.4-165.4-115.7 130.5 56.7 122.5 18.1 26 20 A I E > -HI 31 97D 0 5,-3.0 5,-2.1 -2,-0.4 71,-0.2 -0.981 48.0 -4.5-120.1 127.9 54.0 123.7 20.5 27 21 A G T 5S- 0 0 6 69,-2.6 42,-0.1 -2,-0.4 68,-0.1 -0.252 91.1 -40.2 93.6-178.7 54.5 126.5 23.0 28 22 A T T 5S+ 0 0 59 1,-0.2 42,-2.4 2,-0.1 43,-0.2 -0.978 136.4 23.6-129.7 109.7 57.3 128.9 24.3 29 23 A P T 5S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.702 119.8-108.6 -69.4 160.5 59.8 127.3 24.6 30 24 A P T 5 - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.367 23.6-155.9 -66.1 138.7 58.6 124.7 22.0 31 25 A Q E < -H 26 0D 30 -5,-2.1 -5,-3.0 -2,-0.1 2,-0.3 -0.956 25.3-136.6-104.8 124.0 57.7 121.2 23.1 32 26 A T E -H 25 0D 54 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.734 22.5-174.7 -93.4 143.5 58.2 119.0 20.1 33 27 A F E -H 24 0D 0 -9,-2.5 -9,-1.8 -2,-0.3 2,-0.5 -0.974 27.5-126.3-134.1 145.8 55.8 116.2 18.9 34 28 A K E -H 23 0D 75 -2,-0.3 91,-2.7 -11,-0.2 92,-1.9 -0.807 43.3-175.1 -85.2 123.6 55.9 113.6 16.2 35 29 A V E -Hj 22 126D 0 -13,-3.3 -13,-2.4 -2,-0.5 2,-0.4 -0.972 29.4-134.4-132.1 148.8 52.7 114.1 14.2 36 30 A V E - j 0 127D 15 90,-1.6 92,-2.8 -2,-0.3 2,-0.9 -0.824 22.6-138.2 -94.1 128.8 50.7 112.5 11.3 37 31 A F E - j 0 128D 4 -17,-0.5 2,-0.5 -2,-0.4 92,-0.2 -0.851 28.8-167.1 -94.8 102.8 49.5 115.1 8.7 38 32 A D E > - j 0 129D 13 90,-2.2 92,-3.9 -2,-0.9 3,-0.9 -0.873 27.7-175.0-104.3 114.8 46.0 113.7 8.0 39 33 A T T 3 S+ 0 0 0 -2,-0.5 160,-0.4 91,-0.2 93,-0.2 0.666 86.1 67.8 -77.3 -18.5 43.8 114.9 5.0 40 34 A G T 3 S+ 0 0 21 91,-0.1 2,-0.3 158,-0.1 -1,-0.2 0.436 106.5 36.9 -79.5 -3.5 40.9 112.7 6.4 41 35 A S < - 0 0 13 -3,-0.9 90,-2.8 87,-0.1 89,-0.5 -0.910 60.5-150.7-144.7 167.6 40.4 114.9 9.5 42 36 A S + 0 0 4 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.360 61.8 95.2-126.4 4.6 40.6 118.6 10.5 43 37 A N - 0 0 6 92,-0.1 86,-0.6 99,-0.1 2,-0.4 -0.769 58.5-142.7-104.2 144.9 41.7 118.8 14.2 44 38 A V E +K 128 0D 5 63,-0.4 65,-2.8 -2,-0.3 2,-0.3 -0.837 33.0 162.5 -96.9 135.8 45.1 119.2 15.7 45 39 A W E +Kl 127 109D 0 82,-2.1 82,-2.4 -2,-0.4 65,-0.2 -0.962 18.1 177.7-155.1 147.6 45.7 117.2 18.9 46 40 A V E - l 0 110D 0 63,-1.7 65,-2.4 -2,-0.3 80,-0.1 -0.927 46.9 -84.5-139.0 156.6 48.7 115.9 21.0 47 41 A P E - l 0 111D 0 0, 0.0 17,-2.8 0, 0.0 2,-0.2 -0.397 49.4-129.9 -65.5 144.3 48.6 113.9 24.3 48 42 A S B > -o 64 0E 0 63,-2.9 3,-1.6 15,-0.3 17,-0.2 -0.674 12.6-129.3 -95.1 153.9 48.2 116.1 27.4 49 43 A S T 3 S+ 0 0 23 15,-2.6 16,-0.1 1,-0.3 -1,-0.1 0.721 112.3 66.8 -68.6 -20.7 50.3 116.2 30.6 50 44 A K T 3 S+ 0 0 104 14,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.353 75.0 114.2 -80.8 2.6 46.8 116.0 32.2 51 45 A a S < S- 0 0 1 -3,-1.6 62,-0.1 60,-0.2 2,-0.1 -0.680 76.7-114.7 -79.5 126.2 46.5 112.5 30.8 52 46 A S > - 0 0 61 60,-0.7 3,-2.3 -2,-0.4 6,-0.3 -0.384 13.5-131.7 -62.4 134.6 46.3 109.8 33.6 53 47 A R T 3 S+ 0 0 142 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.390 101.7 80.9 -70.7 3.1 49.4 107.5 33.6 54 47AA L T 3 S+ 0 0 162 4,-0.0 2,-0.8 1,-0.0 -1,-0.3 0.685 76.9 79.7 -79.2 -20.2 46.9 104.6 33.9 55 47BA Y S X> S- 0 0 70 -3,-2.3 4,-0.8 1,-0.2 3,-0.7 -0.819 76.4-159.8 -83.5 106.7 46.5 105.2 30.0 56 48 A T H 3> S+ 0 0 68 -2,-0.8 4,-1.4 1,-0.2 3,-0.4 0.814 86.7 65.5 -60.2 -31.2 49.7 103.3 29.0 57 49 A A H 34 S+ 0 0 0 57,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.864 100.1 51.8 -59.4 -37.0 49.7 105.2 25.6 58 50 A a H <4 S+ 0 0 2 -3,-0.7 3,-0.5 56,-0.3 -1,-0.2 0.782 104.9 54.2 -71.2 -27.2 50.3 108.4 27.6 59 51 A V H < S+ 0 0 85 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.831 112.5 46.7 -72.4 -30.9 53.3 106.8 29.4 60 52 A Y S < S+ 0 0 156 -4,-1.4 2,-0.3 -3,-0.1 -2,-0.2 0.315 108.0 60.4 -95.1 4.5 54.7 106.0 25.9 61 53 A H S S- 0 0 23 -3,-0.5 2,-0.2 -4,-0.3 64,-0.1 -0.880 89.9 -92.1-132.7 161.3 54.3 109.4 24.1 62 54 A K - 0 0 94 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.521 43.7-147.9 -69.8 135.0 55.4 113.0 24.5 63 55 A L - 0 0 32 -2,-0.2 2,-0.5 -17,-0.1 -15,-0.3 -0.905 10.0-124.8-110.6 140.4 52.9 115.0 26.6 64 56 A F B -o 48 0E 0 -17,-2.8 -15,-2.6 -2,-0.4 2,-0.6 -0.729 21.0-163.2 -83.6 124.0 52.0 118.7 26.3 65 57 A D > - 0 0 50 -2,-0.5 3,-1.3 -17,-0.2 4,-0.1 -0.928 9.8-171.7-110.8 106.5 52.5 120.6 29.5 66 58 A A G > S+ 0 0 6 -2,-0.6 3,-1.9 1,-0.2 6,-0.3 0.818 83.8 69.7 -64.0 -32.9 50.7 124.0 29.4 67 59 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.534 100.1 50.0 -61.0 -11.5 52.4 125.0 32.8 68 60 A D G < S+ 0 0 101 -3,-1.3 2,-0.5 -39,-0.0 -1,-0.3 0.377 94.3 85.9-110.0 -0.0 55.7 125.2 30.8 69 61 A S < - 0 0 14 -3,-1.9 3,-0.4 -4,-0.1 -42,-0.1 -0.909 52.7-168.9-108.6 125.8 54.4 127.4 27.9 70 62 A S S S+ 0 0 104 -42,-2.4 -1,-0.1 -2,-0.5 -4,-0.0 0.592 91.2 52.3 -82.1 -11.6 54.5 131.2 28.3 71 63 A S S S+ 0 0 21 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.433 80.2 125.3-103.5 -2.3 52.3 131.6 25.2 72 64 A Y - 0 0 56 -3,-0.4 2,-0.4 -6,-0.3 23,-0.2 -0.293 41.9-163.4 -62.2 135.8 49.5 129.2 26.2 73 65 A K E -M 94 0D 128 21,-3.1 21,-2.2 -2,-0.0 -2,-0.0 -0.994 20.1-126.6-124.3 119.6 45.9 130.5 26.2 74 66 A H E +M 93 0D 141 -2,-0.4 19,-0.1 19,-0.2 18,-0.0 -0.211 41.4 151.1 -62.0 149.4 43.3 128.5 28.2 75 67 A N E - 0 0 60 17,-0.5 18,-0.2 2,-0.0 -1,-0.1 0.349 19.4-171.3-140.9 -63.5 40.1 127.3 26.6 76 68 A G E + 0 0 32 16,-3.0 2,-0.1 1,-0.3 17,-0.1 0.280 26.1 150.4 84.7 -8.6 38.9 124.1 28.3 77 69 A T E - 0 0 78 15,-0.2 15,-2.5 14,-0.1 -1,-0.3 -0.395 47.1-121.8 -57.6 126.4 36.0 123.2 25.8 78 70 A E E +M 91 0D 170 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.221 35.0 179.5 -68.9 159.3 35.6 119.4 25.8 79 71 A L E -M 90 0D 14 11,-1.7 11,-2.1 2,-0.0 2,-0.4 -0.967 21.0-156.8-163.3 145.9 35.9 117.4 22.6 80 72 A T E -M 89 0D 51 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.989 10.4-162.0-126.6 135.7 35.8 113.9 21.3 81 73 A L E -M 88 0D 5 7,-2.6 7,-2.1 -2,-0.4 2,-0.4 -0.990 6.8-156.2-124.5 118.0 37.5 112.8 18.0 82 74 A R E +M 87 0D 187 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.815 16.8 171.1-100.5 132.9 36.5 109.6 16.3 83 75 A Y - 0 0 55 3,-2.2 -42,-0.0 -2,-0.4 -2,-0.0 -0.713 45.7 -98.7-127.3-179.9 38.8 107.7 14.0 84 76 A S S S+ 0 0 86 -2,-0.2 218,-0.1 1,-0.2 3,-0.1 0.938 118.3 37.0 -68.5 -46.4 38.7 104.4 12.3 85 77 A T S S- 0 0 97 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.610 129.8 -42.2 -79.7 -25.0 41.0 102.4 14.7 86 78 A G - 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