==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-06 2G27 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.D.HOLSWORTH,M.JALAIEA,E.ZHANGA,P.MCCONNELLA . 656 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 187 28.5 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 . 6 0.9 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 . 94 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 2 0 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 2 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 . 10 5 9 6 8 3 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 1 3 0 1 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 3 A S 0 0 75 0, 0.0 166,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 138.0 14.1 126.9 138.5 2 4 A S E -A 166 0A 64 164,-0.2 2,-0.6 91,-0.1 164,-0.2 -0.943 360.0-155.1-120.8 134.4 13.4 123.2 138.2 3 5 A V E -A 165 0A 6 162,-2.7 162,-2.2 -2,-0.4 2,-0.2 -0.909 18.3-137.3-106.3 115.9 14.0 120.8 135.3 4 6 A I E -A 164 0A 101 -2,-0.6 12,-0.4 160,-0.2 2,-0.3 -0.532 24.2-156.6 -71.6 134.1 11.8 117.8 135.2 5 7 A L E -A 163 0A 2 158,-2.3 157,-0.8 -2,-0.2 158,-0.6 -0.761 7.3-139.2-113.0 161.9 13.8 114.7 134.3 6 8 A T E -F 14 0B 68 8,-2.6 8,-1.9 -2,-0.3 2,-0.6 -0.924 11.7-141.5-119.3 140.5 12.9 111.4 132.7 7 9 A N E -F 13 0B 19 -2,-0.4 2,-0.8 6,-0.2 152,-0.3 -0.906 7.3-164.3-111.3 118.7 14.2 108.0 133.8 8 10 A Y E >> S-F 12 0B 69 4,-3.0 3,-2.4 -2,-0.6 4,-1.4 -0.881 76.2 -42.1 -99.1 106.1 14.9 105.3 131.2 9 11 A M T 34 S- 0 0 112 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.815 100.8 -71.5 37.8 54.1 15.3 102.0 133.1 10 12 A D T 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.685 128.9 81.9 41.6 26.0 17.3 103.5 136.0 11 13 A T T <4 S+ 0 0 35 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.511 87.7 43.1-129.0 -12.2 20.3 103.9 133.7 12 14 A Q E < -F 8 0B 34 -4,-1.4 -4,-3.0 207,-0.1 2,-0.6 -0.939 55.9-175.7-142.0 116.7 19.6 107.1 131.9 13 15 A Y E +F 7 0B 6 -2,-0.3 17,-0.5 203,-0.2 2,-0.3 -0.918 19.9 169.4-114.6 109.2 18.2 110.4 133.3 14 16 A Y E -F 6 0B 33 -8,-1.9 -8,-2.6 -2,-0.6 15,-0.3 -0.788 17.0-166.2-122.6 163.2 17.5 113.2 130.9 15 17 A G E -G 28 0C 3 13,-4.6 13,-4.3 -2,-0.3 2,-0.4 -0.710 26.0-100.8-130.4-177.9 15.8 116.6 130.6 16 18 A E E +G 27 0C 103 -12,-0.4 77,-0.5 11,-0.2 2,-0.3 -0.915 32.3 173.1-116.0 136.7 14.7 119.0 127.9 17 19 A I E -G 26 0C 5 9,-2.1 9,-2.1 -2,-0.4 2,-0.5 -0.844 23.1-131.3-129.5 168.9 16.3 122.2 126.6 18 20 A G E -GH 25 91C 7 73,-1.2 73,-1.1 -2,-0.3 2,-0.4 -0.946 17.6-172.3-131.7 118.2 15.6 124.6 123.8 19 21 A I E > -GH 24 90C 0 5,-2.9 5,-3.4 -2,-0.5 71,-0.2 -0.885 48.6 -4.6-110.8 134.7 18.1 125.8 121.2 20 22 A G T 5S- 0 0 2 69,-1.4 42,-0.1 -2,-0.4 68,-0.1 -0.200 90.5 -43.8 88.5-178.4 17.4 128.5 118.7 21 23 A T T 5S+ 0 0 48 1,-0.2 42,-2.0 2,-0.1 43,-0.3 -0.955 133.1 31.9-137.1 112.3 14.5 130.7 117.5 22 24 A P T 5S- 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.600 120.7-101.4 -69.7 164.9 12.1 129.1 117.3 23 25 A P T 5 - 0 0 97 0, 0.0 2,-0.7 0, 0.0 -3,-0.2 -0.344 32.2-157.0 -58.5 114.7 13.1 126.7 120.1 24 26 A Q E < -G 19 0C 26 -5,-3.4 -5,-2.9 -2,-0.3 2,-0.3 -0.862 22.9-132.7 -92.3 121.1 14.5 123.5 118.7 25 27 A T E -G 18 0C 49 -2,-0.7 2,-0.4 -7,-0.2 -7,-0.2 -0.581 25.1-176.2 -86.6 136.8 14.0 120.9 121.5 26 28 A F E -G 17 0C 0 -9,-2.1 -9,-2.1 -2,-0.3 2,-0.5 -0.963 23.9-135.1-128.8 142.0 16.6 118.5 122.7 27 29 A K E +G 16 0C 80 -2,-0.4 92,-2.2 -11,-0.2 91,-2.2 -0.832 42.5 176.5 -91.2 127.8 16.5 115.7 125.2 28 30 A V E -Gi 15 119C 0 -13,-4.3 -13,-4.6 -2,-0.5 2,-0.4 -0.973 34.9-132.9-143.8 156.4 19.6 115.9 127.4 29 31 A V E - i 0 120C 8 90,-2.1 92,-3.3 -2,-0.3 2,-0.8 -0.782 24.0-135.9 -97.9 141.5 21.6 114.7 130.3 30 32 A F E - i 0 121C 6 -17,-0.5 2,-0.6 -2,-0.4 92,-0.2 -0.877 25.7-163.2-103.1 105.8 23.0 117.1 132.8 31 33 A D E > - i 0 122C 20 90,-2.0 92,-3.3 -2,-0.8 3,-1.0 -0.810 24.7-173.9 -99.1 114.9 26.5 115.9 133.4 32 34 A T T 3 S+ 0 0 3 -2,-0.6 158,-0.5 1,-0.2 93,-0.2 0.461 87.9 66.2 -79.6 -0.5 28.5 117.2 136.4 33 35 A G T 3 S+ 0 0 30 91,-0.1 2,-0.3 156,-0.1 -1,-0.2 0.112 104.2 37.9-106.6 18.1 31.4 115.3 134.9 34 36 A S < - 0 0 24 -3,-1.0 90,-2.7 87,-0.1 89,-0.3 -0.956 65.1-145.2-157.4 163.9 31.9 117.4 131.8 35 37 A S + 0 0 3 93,-0.5 2,-0.3 -2,-0.3 101,-0.1 0.277 61.8 75.0-128.1 18.1 31.6 121.1 131.0 36 38 A N S S- 0 0 22 99,-0.1 86,-1.9 92,-0.1 2,-0.6 -0.787 70.0-115.5-126.3 169.5 30.2 121.8 127.6 37 39 A V E -J 121 0C 2 63,-0.5 65,-3.8 -2,-0.3 2,-0.4 -0.927 35.2-177.4-106.3 121.7 27.0 121.7 125.7 38 40 A W E +Jk 120 102C 40 82,-2.4 82,-1.5 -2,-0.6 65,-0.2 -0.978 8.0 170.0-124.1 128.9 26.9 119.2 122.9 39 41 A V E - k 0 103C 1 63,-2.4 65,-2.7 -2,-0.4 2,-0.3 -0.990 43.8-101.1-135.4 144.1 24.0 118.5 120.5 40 42 A P E - k 0 104C 4 0, 0.0 17,-1.9 0, 0.0 65,-0.1 -0.508 46.5-133.0 -62.5 120.3 24.0 116.3 117.4 41 43 A S B > -n 57 0D 0 63,-1.7 3,-1.0 -2,-0.3 17,-0.2 -0.362 8.8-133.4 -76.4 156.3 24.3 118.8 114.4 42 44 A S T 3 S+ 0 0 46 15,-2.3 16,-0.1 1,-0.3 -1,-0.1 0.799 110.0 63.2 -76.4 -27.1 22.2 118.8 111.3 43 45 A K T 3 S+ 0 0 143 14,-0.4 2,-0.8 2,-0.1 -1,-0.3 0.182 77.2 121.4 -81.2 19.0 25.4 119.1 109.4 44 46 A a S < S- 0 0 4 -3,-1.0 4,-0.1 1,-0.1 61,-0.1 -0.772 74.0-115.2 -87.6 111.8 26.3 115.7 110.8 45 47 A S > - 0 0 55 -2,-0.8 3,-1.3 60,-0.4 6,-0.2 -0.101 15.4-128.6 -44.6 135.3 26.9 113.3 108.0 46 48 A R T 3 S+ 0 0 186 1,-0.3 -1,-0.2 4,-0.1 5,-0.1 0.570 97.6 88.8 -65.9 -8.0 24.3 110.5 108.0 47 49 A L T 3 S+ 0 0 147 1,-0.1 2,-0.6 3,-0.0 -1,-0.3 0.464 75.2 77.7 -69.4 -0.5 27.2 108.1 107.8 48 50 A Y S X S- 0 0 66 -3,-1.3 3,-3.1 3,-0.2 -1,-0.1 -0.944 74.4-151.1-115.5 111.2 27.2 108.2 111.6 49 51 A T T 3> S+ 0 0 64 -2,-0.6 4,-0.6 1,-0.3 3,-0.4 0.760 95.8 67.2 -50.9 -29.9 24.5 106.1 113.2 50 52 A A T 34 S+ 0 0 1 57,-0.3 2,-0.6 1,-0.3 -1,-0.3 0.719 98.0 58.6 -64.3 -19.5 24.4 108.5 116.2 51 53 A a T <4 S+ 0 0 1 -3,-3.1 -1,-0.3 -6,-0.2 -3,-0.2 -0.617 93.3 63.0-109.6 68.2 23.0 111.0 113.6 52 54 A V T 4 S+ 0 0 62 -2,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.324 107.0 32.0-156.6 -30.2 19.9 109.2 112.4 53 55 A Y S < S+ 0 0 185 -4,-0.6 2,-0.4 -3,-0.2 -2,-0.1 0.238 102.1 81.2-124.4 15.2 17.6 108.8 115.3 54 56 A H S S- 0 0 24 -4,-0.2 63,-0.0 64,-0.1 62,-0.0 -0.955 88.6 -96.6-123.8 142.4 18.4 111.9 117.4 55 57 A K - 0 0 91 -2,-0.4 2,-0.3 1,-0.1 -2,-0.1 -0.249 43.5-148.3 -51.4 134.0 17.1 115.4 117.0 56 58 A L - 0 0 40 -17,-0.1 2,-0.6 -4,-0.1 -15,-0.3 -0.804 11.9-119.1-107.3 154.1 19.7 117.4 115.0 57 59 A F B -n 41 0D 0 -17,-1.9 -15,-2.3 -2,-0.3 2,-0.7 -0.826 23.3-162.7 -96.8 120.3 20.4 121.1 115.4 58 60 A D > - 0 0 44 -2,-0.6 3,-2.0 -17,-0.2 -17,-0.0 -0.860 12.7-169.3-104.8 108.8 19.8 123.1 112.2 59 61 A A G > S+ 0 0 16 -2,-0.7 3,-1.5 1,-0.3 6,-0.2 0.822 85.4 73.9 -62.6 -24.6 21.4 126.5 112.4 60 62 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.589 94.0 49.2 -64.4 -13.8 19.3 127.1 109.2 61 63 A D G < S+ 0 0 88 -3,-2.0 2,-0.4 -39,-0.1 -1,-0.3 -0.054 94.0 92.9-115.5 30.7 16.0 127.4 111.3 62 64 A S < - 0 0 17 -3,-1.5 -42,-0.1 -42,-0.1 -1,-0.0 -0.973 46.0-174.4-132.7 124.2 17.3 129.8 113.8 63 65 A S S S+ 0 0 99 -42,-2.0 -1,-0.1 -2,-0.4 -4,-0.0 0.660 94.7 50.2 -81.5 -18.3 17.0 133.6 113.7 64 66 A S S S+ 0 0 25 -43,-0.3 -1,-0.2 25,-0.1 -44,-0.1 0.582 81.5 115.7 -95.9 -15.7 19.2 133.8 116.9 65 67 A Y - 0 0 59 -6,-0.2 2,-0.4 -44,-0.2 23,-0.2 -0.243 46.4-164.1 -57.1 143.2 22.0 131.5 115.7 66 68 A K E -L 87 0C 126 21,-1.9 21,-1.9 0, 0.0 2,-0.3 -0.998 17.7-123.6-131.6 134.1 25.4 133.2 115.5 67 69 A H E +L 86 0C 141 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.628 48.5 138.2 -88.2 135.6 28.2 131.6 113.5 68 70 A N E - 0 0 74 17,-0.6 18,-0.2 -2,-0.3 -1,-0.2 0.429 27.8-170.6-131.1 -64.2 31.7 130.9 115.0 69 71 A G E + 0 0 27 16,-3.1 2,-0.2 1,-0.2 17,-0.1 0.626 16.3 164.6 79.1 13.6 32.6 127.5 113.7 70 72 A T E - 0 0 75 15,-0.4 15,-2.1 1,-0.1 2,-0.3 -0.477 43.2-116.2 -65.0 129.9 35.7 126.7 115.8 71 73 A E E -L 84 0C 116 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.511 32.8-163.2 -71.9 130.6 36.5 123.0 115.4 72 74 A L E -L 83 0C 12 11,-3.7 11,-1.7 -2,-0.3 2,-0.3 -0.837 5.0-168.2-111.9 152.9 36.1 121.2 118.8 73 75 A T E +L 82 0C 67 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.996 13.3 169.3-146.4 138.2 37.6 117.8 119.5 74 76 A L - 0 0 36 7,-1.7 2,-0.6 6,-0.9 6,-0.5 -0.887 18.7-152.7-152.3 117.6 37.2 115.2 122.3 75 77 A R - 0 0 192 -2,-0.3 2,-0.5 4,-0.2 4,-0.1 -0.813 17.2-176.1 -92.4 122.0 38.4 111.6 122.4 76 78 A Y - 0 0 103 -2,-0.6 5,-0.1 1,-0.0 -2,-0.0 -0.937 52.7 -77.5-126.6 108.5 36.3 109.4 124.7 77 79 A S S S+ 0 0 101 -2,-0.5 -2,-0.0 1,-0.4 -1,-0.0 0.502 146.4 29.7 -2.4 68.7 37.2 105.7 125.3 78 80 A T S S+ 0 0 66 33,-0.0 -1,-0.4 3,-0.0 3,-0.2 0.022 117.4 178.0 136.2 8.6 35.8 104.8 121.9 79 81 A G + 0 0 27 1,-0.2 2,-0.4 -4,-0.1 -4,-0.2 0.522 34.0 90.2 -30.4 174.0 36.9 108.3 121.3 80 82 A T + 0 0 48 -6,-0.5 -6,-0.9 1,-0.3 -1,-0.2 -0.956 40.6 142.6 130.8-101.6 37.0 110.5 118.3 81 83 A V + 0 0 6 -2,-0.4 -7,-1.7 -3,-0.2 -1,-0.3 0.819 24.1 164.0 32.6 118.5 33.7 112.6 118.1 82 84 A S E +LM 73 106C 16 24,-1.5 23,-3.2 -9,-0.2 24,-2.5 -0.885 11.7 143.9-148.4 178.4 34.1 116.1 116.9 83 85 A G E -LM 72 104C 0 -11,-1.7 -11,-3.7 21,-0.3 2,-0.3 -0.969 41.2 -73.3 172.3-162.1 32.2 119.2 115.6 84 86 A F E -LM 71 103C 30 19,-1.3 19,-2.8 -2,-0.3 2,-0.4 -0.880 36.7-105.3-128.2 159.9 32.2 123.0 115.7 85 87 A L E + M 0 102C 14 -15,-2.1 -16,-3.1 -2,-0.3 -17,-0.6 -0.667 38.9 171.1 -86.9 129.9 31.2 125.8 118.1 86 88 A S E -LM 67 101C 0 15,-2.8 15,-2.9 -2,-0.4 2,-0.3 -0.910 21.1-139.0-132.6 159.4 28.0 127.7 117.6 87 89 A Q E +LM 66 100C 64 -21,-1.9 -21,-1.9 -2,-0.3 2,-0.3 -0.894 35.8 129.2-121.4 150.4 26.1 130.3 119.7 88 90 A D E - 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