==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-SEP-10 3OQK . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.BOCSKEI . 674 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27995.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 478 70.9 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 . 209 31.0 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 . 70 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 8.9 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 4 2 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 . 4 10 5 4 9 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 1 0 3 0 2 1 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 -2 A G 0 0 57 0, 0.0 149,-0.2 0, 0.0 148,-0.2 0.000 360.0 360.0 360.0 171.8 -16.7 -35.8 28.9 2 -1 A N + 0 0 153 147,-1.1 148,-0.2 146,-0.1 2,-0.2 0.651 360.0 90.7-123.3 -27.9 -20.3 -36.8 28.1 3 0 A T B -a 150 0A 73 146,-2.6 148,-1.7 148,-0.0 2,-0.3 -0.480 46.8-160.7 -88.7 149.0 -21.6 -34.6 25.2 4 1 A T - 0 0 92 146,-0.2 2,-0.4 -2,-0.2 172,-0.2 -0.903 16.0-165.4-114.1 144.8 -21.6 -34.9 21.4 5 2 A S E -B 175 0B 15 170,-2.3 170,-4.3 -2,-0.3 2,-0.4 -1.000 2.4-157.4-137.6 138.8 -22.1 -31.7 19.3 6 3 A S E -B 174 0B 58 -2,-0.4 2,-0.5 168,-0.2 168,-0.2 -0.896 7.7-156.5-119.8 147.3 -23.0 -31.3 15.6 7 4 A V E -B 173 0B 7 166,-2.7 166,-2.1 -2,-0.4 2,-0.3 -0.987 20.6-138.2-116.5 119.9 -22.5 -28.5 13.0 8 5 A I E -B 172 0B 97 -2,-0.5 12,-0.4 164,-0.2 2,-0.3 -0.646 23.1-152.4 -77.8 134.5 -24.9 -28.5 10.1 9 6 A L E -B 171 0B 4 162,-2.7 162,-1.0 -2,-0.3 161,-0.7 -0.834 9.6-136.5-111.6 149.7 -23.2 -27.7 6.8 10 7 A T E -G 18 0C 75 8,-3.1 8,-1.8 -2,-0.3 2,-0.7 -0.843 16.4-143.0 -98.6 136.8 -24.4 -26.2 3.6 11 8 A N E -G 17 0C 10 -2,-0.4 2,-0.7 6,-0.2 6,-0.2 -0.917 14.0-167.3-104.1 106.9 -23.2 -27.8 0.4 12 9 A Y E >> S-G 16 0C 76 4,-3.3 3,-2.3 -2,-0.7 4,-2.1 -0.878 70.0 -38.9 -98.6 109.1 -22.5 -25.2 -2.3 13 10 A M T 34 S- 0 0 98 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.648 101.4 -74.2 52.8 27.9 -22.1 -26.8 -5.7 14 11 A D T 34 S+ 0 0 10 2,-0.2 -1,-0.3 491,-0.1 3,-0.1 0.545 129.2 81.4 63.5 9.2 -20.1 -29.8 -4.3 15 12 A T T <4 S+ 0 0 26 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.654 86.0 42.5-114.5 -26.8 -17.1 -27.5 -3.9 16 13 A Q E < -G 12 0C 24 -4,-2.1 -4,-3.3 211,-0.1 2,-0.5 -0.987 55.7-177.2-130.6 123.3 -17.7 -25.5 -0.6 17 14 A Y E +G 11 0C 6 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.986 20.7 162.3-119.6 118.2 -19.0 -27.0 2.6 18 15 A Y E -G 10 0C 19 -8,-1.8 -8,-3.1 -2,-0.5 15,-0.2 -0.980 20.1-167.5-141.5 153.0 -19.5 -24.5 5.4 19 16 A G E -H 32 0D 4 13,-2.4 13,-2.8 -2,-0.3 2,-0.4 -0.635 30.0 -96.7-124.8-177.7 -21.3 -24.1 8.7 20 17 A E E +H 31 0D 118 -12,-0.4 77,-0.5 11,-0.2 2,-0.3 -0.865 31.8 178.9-110.8 142.3 -22.1 -21.2 11.0 21 18 A I E -H 30 0D 3 9,-1.9 9,-2.5 -2,-0.4 2,-0.4 -0.925 21.0-134.5-128.8 157.3 -20.3 -20.0 14.1 22 19 A G E -HI 29 95D 6 73,-1.9 73,-2.6 -2,-0.3 2,-0.4 -0.916 17.3-167.1-112.7 139.2 -21.0 -17.1 16.4 23 20 A I E > -HI 28 94D 0 5,-2.1 5,-2.3 -2,-0.4 71,-0.2 -0.996 47.4 -4.7-129.6 129.0 -18.2 -14.7 17.6 24 21 A G T 5S- 0 0 5 69,-2.6 42,-0.1 -2,-0.4 71,-0.1 -0.214 93.0 -38.4 91.0-178.9 -18.6 -12.1 20.5 25 22 A T T 5S+ 0 0 57 1,-0.2 42,-2.3 2,-0.1 43,-0.2 -0.972 135.9 24.6-128.4 112.1 -21.3 -10.9 22.8 26 23 A P T 5S- 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.651 119.7-104.6 -69.8 162.8 -23.9 -10.7 21.3 27 24 A P T 5 - 0 0 80 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.336 25.5-154.6 -63.2 132.8 -22.9 -13.3 18.7 28 25 A Q E < -H 23 0D 22 -5,-2.3 -5,-2.1 -2,-0.1 2,-0.4 -0.948 24.4-135.5-102.1 122.0 -21.9 -12.1 15.3 29 26 A T E -H 22 0D 70 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.688 24.7-178.1 -90.4 136.0 -22.5 -15.0 12.9 30 27 A F E -H 21 0D 1 -9,-2.5 -9,-1.9 -2,-0.4 2,-0.5 -0.962 28.6-127.3-130.7 145.8 -20.1 -16.1 10.2 31 28 A K E -H 20 0D 81 -2,-0.3 91,-2.8 -11,-0.2 92,-2.1 -0.817 42.6-179.1 -87.7 125.1 -20.2 -18.8 7.5 32 29 A V E -Hj 19 123D 0 -13,-2.8 -13,-2.4 -2,-0.5 2,-0.4 -0.982 30.8-132.7-133.8 148.1 -16.9 -20.9 7.9 33 30 A V E - j 0 124D 12 90,-1.9 92,-3.3 -2,-0.3 2,-0.7 -0.790 22.9-137.7 -91.0 137.7 -15.1 -23.8 6.3 34 31 A F E - j 0 125D 4 -17,-0.4 2,-0.6 -2,-0.4 92,-0.2 -0.905 29.4-167.9-100.5 107.6 -13.9 -26.3 8.9 35 32 A D E > - j 0 126D 16 90,-2.4 92,-3.5 -2,-0.7 3,-1.2 -0.889 29.7-175.5-113.7 110.3 -10.4 -27.1 7.5 36 33 A T T 3 S+ 0 0 0 -2,-0.6 162,-0.5 1,-0.2 93,-0.2 0.606 85.7 70.4 -74.7 -12.1 -8.2 -30.0 8.7 37 34 A G T 3 S+ 0 0 21 91,-0.1 2,-0.3 160,-0.1 -1,-0.2 0.466 105.8 33.6 -81.0 -6.4 -5.4 -28.7 6.4 38 35 A S < - 0 0 14 -3,-1.2 90,-2.9 87,-0.1 89,-0.5 -0.910 60.7-148.6-145.9 170.5 -4.8 -25.7 8.6 39 36 A S + 0 0 1 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.366 62.2 95.1-129.2 3.2 -4.9 -24.7 12.3 40 37 A N - 0 0 6 92,-0.2 86,-0.9 99,-0.1 2,-0.4 -0.752 57.7-143.1-102.7 147.9 -5.9 -21.0 12.5 41 38 A V E +K 125 0D 3 63,-0.4 65,-3.1 -2,-0.3 2,-0.3 -0.904 32.9 161.6-101.5 132.9 -9.4 -19.4 13.0 42 39 A W E +Kl 124 106D 0 82,-2.2 82,-2.0 -2,-0.4 65,-0.2 -0.985 18.2 178.6-151.9 148.2 -10.0 -16.2 11.1 43 40 A V E - l 0 107D 0 63,-2.2 65,-2.6 -2,-0.3 80,-0.1 -0.946 44.9 -86.5-138.0 157.3 -12.9 -14.1 9.9 44 41 A P E - l 0 108D 0 0, 0.0 17,-3.0 0, 0.0 2,-0.3 -0.363 47.9-132.0 -65.6 147.3 -12.9 -10.8 7.9 45 42 A S B > -o 61 0E 0 63,-2.8 3,-2.1 15,-0.3 17,-0.2 -0.769 15.6-129.4-102.8 149.5 -12.5 -7.7 10.1 46 43 A S T 3 S+ 0 0 25 15,-2.8 16,-0.1 -2,-0.3 -1,-0.1 0.746 112.3 67.1 -63.6 -20.3 -14.5 -4.4 10.1 47 44 A K T 3 S+ 0 0 103 14,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.470 75.9 115.7 -77.3 -3.7 -10.9 -2.9 10.0 48 45 A a S < S- 0 0 2 -3,-2.1 62,-0.1 60,-0.2 61,-0.1 -0.587 77.1-113.0 -71.6 124.6 -10.6 -4.4 6.4 49 46 A S > - 0 0 52 60,-0.8 3,-1.8 -2,-0.4 6,-0.3 -0.278 15.7-134.3 -53.6 132.8 -10.3 -1.6 3.8 50 46AA R T 3 S+ 0 0 140 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.479 98.7 83.7 -73.9 1.4 -13.4 -1.6 1.5 51 46BA L T 3 S+ 0 0 159 1,-0.1 2,-0.9 4,-0.1 -1,-0.3 0.737 75.7 78.8 -72.6 -20.8 -10.9 -1.4 -1.4 52 47 A Y S X> S- 0 0 76 -3,-1.8 3,-1.7 1,-0.2 4,-0.7 -0.805 77.2-157.8 -84.9 106.2 -10.8 -5.2 -1.0 53 48 A T H >> S+ 0 0 68 -2,-0.9 4,-1.9 1,-0.3 3,-0.9 0.822 89.4 66.8 -57.3 -32.0 -14.1 -6.1 -2.7 54 49 A A H 3> S+ 0 0 0 57,-0.5 4,-1.5 1,-0.3 -1,-0.3 0.805 99.6 51.0 -58.7 -30.1 -14.1 -9.4 -0.7 55 50 A a H <4 S+ 0 0 2 -3,-1.7 -1,-0.3 -6,-0.3 -2,-0.2 0.675 106.2 53.7 -83.0 -18.6 -14.6 -7.2 2.4 56 51 A V H << S+ 0 0 86 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.851 116.5 39.3 -76.4 -38.2 -17.6 -5.4 0.9 57 52 A Y H < S+ 0 0 173 -4,-1.9 -2,-0.2 2,-0.1 2,-0.2 0.695 108.2 66.8 -88.7 -21.3 -19.2 -8.8 0.1 58 53 A H S < S- 0 0 20 -4,-1.5 2,-0.2 -5,-0.2 64,-0.1 -0.550 90.5 -93.6-101.9 165.6 -18.5 -10.8 3.2 59 54 A K - 0 0 79 -2,-0.2 2,-0.4 -28,-0.1 -1,-0.1 -0.568 42.0-148.7 -74.9 136.3 -19.5 -10.5 6.8 60 55 A L - 0 0 30 -2,-0.2 2,-0.5 -17,-0.1 -15,-0.3 -0.913 10.9-124.8-113.5 137.2 -17.1 -8.5 8.9 61 56 A F B -o 45 0E 0 -17,-3.0 -15,-2.8 -2,-0.4 2,-0.7 -0.693 20.6-160.5 -78.2 122.8 -16.3 -8.9 12.7 62 57 A D > - 0 0 48 -2,-0.5 3,-1.7 -17,-0.2 4,-0.1 -0.902 8.8-170.7-108.0 102.6 -16.8 -5.6 14.6 63 58 A A G > S+ 0 0 6 -2,-0.7 3,-1.9 1,-0.3 6,-0.3 0.820 84.2 68.3 -58.5 -31.0 -14.8 -5.8 17.9 64 59 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.470 98.1 51.2 -66.5 -8.8 -16.6 -2.5 18.9 65 60 A D G < S+ 0 0 102 -3,-1.7 2,-0.5 -39,-0.0 -1,-0.3 0.355 94.8 86.2-110.8 1.0 -19.9 -4.3 19.1 66 61 A S X - 0 0 14 -3,-1.9 3,-0.6 -4,-0.1 -42,-0.1 -0.925 51.7-170.1-112.1 121.6 -18.6 -7.1 21.3 67 62 A S T 3 S+ 0 0 105 -42,-2.3 -1,-0.1 -2,-0.5 -3,-0.0 0.597 90.6 53.9 -79.3 -12.2 -18.6 -6.8 25.2 68 63 A S T 3 S+ 0 0 27 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.397 80.6 123.8-102.2 1.1 -16.5 -10.0 25.5 69 64 A Y < - 0 0 58 -3,-0.6 2,-0.4 -6,-0.3 23,-0.2 -0.356 41.9-164.5 -65.0 137.9 -13.7 -8.9 23.1 70 65 A K E -M 91 0D 134 21,-3.0 21,-2.3 -2,-0.1 -2,-0.0 -0.991 19.9-128.1-126.7 118.3 -10.1 -8.9 24.4 71 66 A H E +M 90 0D 135 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.216 40.2 151.9 -61.0 149.1 -7.5 -7.0 22.3 72 67 A N E - 0 0 59 17,-0.6 18,-0.2 2,-0.0 -1,-0.1 0.291 20.3-169.8-138.6 -65.1 -4.2 -8.6 21.2 73 68 A G E + 0 0 30 16,-2.8 2,-0.2 1,-0.3 17,-0.1 0.397 25.0 152.6 86.3 -2.6 -3.1 -6.9 17.9 74 69 A T E - 0 0 80 15,-0.2 15,-2.4 14,-0.1 -1,-0.3 -0.463 45.6-123.7 -62.7 125.2 -0.3 -9.2 16.9 75 70 A E E +M 88 0D 168 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.430 36.2 175.8 -71.6 141.7 0.0 -9.1 13.1 76 71 A L E -M 87 0D 17 11,-2.5 11,-2.5 -2,-0.1 2,-0.4 -0.998 22.0-155.5-150.6 151.8 -0.2 -12.3 11.2 77 72 A T E -M 86 0D 41 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.993 7.9-158.3-127.4 129.4 -0.2 -13.5 7.6 78 73 A L E -M 85 0D 5 7,-3.2 7,-2.4 -2,-0.4 2,-0.7 -0.958 7.2-162.3-113.6 112.7 -1.8 -16.8 6.6 79 74 A R E +M 84 0D 184 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.865 15.2 178.7 -99.9 105.7 -0.5 -18.2 3.3 80 75 A Y - 0 0 56 3,-2.6 3,-0.4 -2,-0.7 -42,-0.0 -0.529 43.2-103.3 -99.5 171.0 -2.8 -20.9 1.8 81 76 A S S S+ 0 0 71 1,-0.2 220,-0.1 -2,-0.2 3,-0.1 0.806 121.1 35.9 -60.8 -33.9 -2.5 -22.9 -1.4 82 77 A T S S- 0 0 92 1,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.530 129.7 -34.7-102.0 -8.0 -5.2 -20.7 -3.1 83 78 A G - 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