==== 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 2G26 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.D.HOLSWORTH,M.JALAIEA,E.ZHANGA,P.MCCONNELLA . 658 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 30.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 9 1.4 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 . 80 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 8.1 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 5 0 2 1 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 . 2 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 . 7 8 4 10 6 3 0 1 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 . 1 1 3 1 2 0 1 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 3 A S 0 0 72 0, 0.0 167,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.2 32.0 90.0 93.6 2 4 A S E -A 167 0A 58 165,-0.3 2,-0.5 91,-0.2 165,-0.2 -0.885 360.0-149.4-121.2 152.3 31.8 86.3 94.2 3 5 A V E -A 166 0A 6 163,-3.4 163,-2.6 -2,-0.3 2,-0.4 -0.984 17.5-138.2-119.6 123.8 29.1 83.8 93.7 4 6 A I E -A 165 0A 101 -2,-0.5 12,-0.5 161,-0.2 2,-0.3 -0.676 22.4-154.8 -82.6 132.8 29.0 80.7 96.1 5 7 A L E -A 164 0A 3 159,-2.1 159,-1.1 -2,-0.4 158,-1.0 -0.805 9.6-138.2-112.0 151.6 28.1 77.5 94.3 6 8 A T E -F 14 0B 70 8,-3.1 8,-1.9 -2,-0.3 2,-0.7 -0.875 16.4-141.7-105.0 134.3 26.6 74.3 95.5 7 9 A N E -F 13 0B 18 -2,-0.4 2,-0.6 6,-0.2 6,-0.2 -0.882 14.8-168.1-101.6 116.1 28.1 71.0 94.3 8 10 A Y E >> S-F 12 0B 68 4,-3.0 3,-2.3 -2,-0.7 4,-2.1 -0.914 70.6 -35.3-106.6 112.8 25.5 68.3 93.6 9 11 A M T 34 S- 0 0 116 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.667 101.7 -77.2 50.9 23.7 27.0 64.8 93.0 10 12 A D T 34 S+ 0 0 27 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.577 128.8 80.1 65.6 7.8 30.1 66.3 91.3 11 13 A T T <4 S+ 0 0 24 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.633 85.8 44.8-117.6 -22.3 27.8 66.8 88.2 12 14 A Q E < -F 8 0B 29 -4,-2.1 -4,-3.0 208,-0.1 2,-0.5 -0.974 57.7-177.7-129.7 119.6 25.8 69.9 88.8 13 15 A Y E +F 7 0B 6 -2,-0.4 17,-0.5 -6,-0.2 2,-0.3 -0.970 19.3 163.8-116.5 119.3 27.3 73.1 90.1 14 16 A Y E -F 6 0B 17 -8,-1.9 -8,-3.1 -2,-0.5 2,-0.2 -0.951 21.9-165.5-138.9 157.3 24.9 76.0 90.7 15 17 A G E -G 28 0C 3 13,-2.7 13,-3.2 -2,-0.3 2,-0.4 -0.770 29.8-101.2-128.8 175.3 24.5 79.3 92.5 16 18 A E E -G 27 0C 93 -12,-0.5 77,-0.5 -2,-0.2 2,-0.3 -0.805 30.5-178.9-107.4 145.1 21.6 81.5 93.3 17 19 A I E -G 26 0C 6 9,-2.1 9,-2.2 -2,-0.4 2,-0.4 -0.936 20.9-131.5-132.3 155.9 20.4 84.7 91.5 18 20 A G E -GH 25 91C 10 73,-2.0 73,-2.8 -2,-0.3 2,-0.4 -0.923 18.7-167.5-112.4 136.5 17.5 87.0 92.3 19 21 A I E > -GH 24 90C 0 5,-2.2 5,-2.2 -2,-0.4 71,-0.2 -0.983 46.3 -10.7-126.9 128.1 15.0 88.1 89.7 20 22 A G T 5S- 0 0 2 69,-2.7 42,-0.1 -2,-0.4 68,-0.1 -0.209 91.2 -37.4 88.2-177.0 12.4 90.9 90.0 21 23 A T T 5S+ 0 0 54 1,-0.2 42,-2.1 2,-0.1 43,-0.3 -0.968 135.4 24.7-135.6 112.6 11.1 93.1 92.9 22 24 A P T 5S- 0 0 91 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.647 120.3-106.2 -67.7 159.9 10.7 91.6 95.4 23 25 A P T 5 - 0 0 90 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.274 25.6-150.1 -61.8 135.4 13.4 89.2 94.3 24 26 A Q E < -G 19 0C 26 -5,-2.2 -5,-2.2 31,-0.0 2,-0.3 -0.954 23.3-128.8-107.2 123.3 12.3 85.7 93.2 25 27 A T E +G 18 0C 56 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.558 29.5 176.6 -79.7 132.4 15.1 83.2 94.0 26 28 A F E -G 17 0C 0 -9,-2.2 -9,-2.1 -2,-0.3 2,-0.6 -0.986 26.7-136.0-136.3 144.0 16.5 80.7 91.4 27 29 A K E +G 16 0C 66 -2,-0.3 91,-3.2 -11,-0.2 92,-2.2 -0.875 37.1 176.8 -96.7 126.2 19.2 78.1 91.4 28 30 A V E -Gi 15 119C 0 -13,-3.2 -13,-2.7 -2,-0.6 2,-0.4 -0.963 31.9-130.0-136.7 151.7 21.2 78.3 88.2 29 31 A V E - i 0 120C 12 90,-1.8 92,-2.9 -2,-0.3 2,-0.8 -0.784 25.4-134.1 -93.3 138.4 24.2 76.8 86.5 30 32 A F E - i 0 121C 3 -17,-0.5 2,-0.6 -2,-0.4 92,-0.2 -0.886 28.4-167.6 -98.6 111.5 26.7 79.4 85.1 31 33 A D E > - i 0 122C 15 90,-1.8 92,-2.5 -2,-0.8 3,-1.6 -0.876 26.5-174.2-110.8 106.6 27.5 78.1 81.6 32 34 A T T 3 S+ 0 0 0 -2,-0.6 159,-0.4 1,-0.3 93,-0.2 0.631 86.5 68.8 -70.9 -10.5 30.4 79.4 79.5 33 35 A G T 3 S+ 0 0 25 91,-0.1 2,-0.3 157,-0.1 -1,-0.3 0.455 105.0 35.3 -86.8 -1.9 29.2 77.2 76.7 34 36 A S < - 0 0 17 -3,-1.6 90,-2.6 87,-0.1 89,-0.4 -0.917 62.2-149.4-142.8 168.8 26.0 79.3 76.1 35 37 A S + 0 0 2 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.332 61.2 91.8-127.4 8.3 25.0 82.9 76.3 36 38 A N - 0 0 8 92,-0.1 86,-1.9 99,-0.1 2,-0.4 -0.714 59.4-138.8-105.4 158.2 21.3 83.2 77.3 37 39 A V E +J 121 0C 5 63,-0.3 65,-3.2 -2,-0.3 2,-0.3 -0.933 32.3 160.4-111.4 134.3 19.7 83.5 80.7 38 40 A W E +Jk 120 102C 2 82,-2.2 82,-1.9 -2,-0.4 65,-0.2 -0.988 17.2 177.6-155.3 148.9 16.5 81.5 81.5 39 41 A V E - k 0 103C 0 63,-2.0 65,-2.2 -2,-0.3 80,-0.1 -0.941 46.5 -81.8-142.0 158.0 14.5 80.2 84.4 40 42 A P E - k 0 104C 0 0, 0.0 17,-3.1 0, 0.0 2,-0.3 -0.313 49.6-131.8 -61.6 148.2 11.2 78.3 84.5 41 43 A S B > -n 57 0D 0 63,-2.5 3,-1.9 15,-0.3 17,-0.2 -0.764 15.7-131.1-107.1 151.8 8.1 80.4 84.1 42 44 A S T 3 S+ 0 0 32 15,-2.7 16,-0.1 -2,-0.3 -1,-0.1 0.779 111.5 66.4 -63.9 -24.2 4.8 80.6 86.0 43 45 A K T 3 S+ 0 0 139 14,-0.4 2,-0.5 2,-0.1 -1,-0.3 0.474 74.1 112.5 -77.3 -0.7 3.3 80.3 82.5 44 46 A a S < S- 0 0 0 -3,-1.9 62,-0.1 60,-0.2 61,-0.1 -0.629 78.0-113.5 -76.4 120.6 4.7 76.8 82.1 45 47 A S > - 0 0 55 60,-0.6 3,-1.9 -2,-0.5 6,-0.2 -0.216 16.9-129.3 -51.6 138.7 1.8 74.3 81.9 46 48 A R T 3 S+ 0 0 128 1,-0.3 6,-0.2 5,-0.1 -1,-0.2 0.540 101.8 81.8 -70.6 -4.9 1.8 72.0 84.9 47 49 A L T 3 S+ 0 0 151 1,-0.2 2,-1.2 4,-0.1 -1,-0.3 0.693 76.6 80.3 -70.7 -16.2 1.5 69.0 82.5 48 50 A Y S X> S- 0 0 76 -3,-1.9 3,-1.9 1,-0.2 4,-1.0 -0.774 73.7-164.6 -88.9 93.5 5.3 69.6 82.3 49 51 A T H >> S+ 0 0 66 -2,-1.2 4,-1.6 1,-0.3 3,-0.8 0.846 83.4 66.5 -49.4 -38.4 6.2 67.8 85.6 50 52 A A H 34 S+ 0 0 0 57,-0.4 -1,-0.3 1,-0.3 -4,-0.1 0.848 100.9 50.8 -52.4 -35.7 9.7 69.5 85.5 51 53 A a H X4 S+ 0 0 1 -3,-1.9 3,-1.0 56,-0.3 -1,-0.3 0.803 104.3 55.8 -73.6 -29.5 7.9 72.8 86.1 52 54 A V H << S+ 0 0 81 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.813 110.9 47.3 -70.1 -27.6 6.0 71.4 89.0 53 55 A Y T 3< S+ 0 0 159 -4,-1.6 2,-0.3 2,-0.1 -1,-0.2 0.190 107.9 64.8 -98.4 14.2 9.3 70.5 90.6 54 56 A H S < S- 0 0 24 -3,-1.0 2,-0.3 -5,-0.1 64,-0.1 -0.920 90.2 -90.1-136.9 164.0 11.1 73.8 90.0 55 57 A K - 0 0 90 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.548 44.6-152.0 -69.6 129.8 11.0 77.4 91.1 56 58 A L - 0 0 33 -2,-0.3 2,-0.4 -17,-0.1 -15,-0.3 -0.910 10.3-128.5-109.3 131.1 8.8 79.3 88.6 57 59 A F B -n 41 0D 0 -17,-3.1 -15,-2.7 -2,-0.5 2,-0.7 -0.633 20.3-160.0 -78.4 127.1 9.2 83.0 87.8 58 60 A D > - 0 0 46 -2,-0.4 3,-1.8 -17,-0.2 4,-0.1 -0.888 10.6-170.4-113.5 104.1 6.0 84.9 88.2 59 61 A A G > S+ 0 0 16 -2,-0.7 3,-1.9 1,-0.3 6,-0.2 0.815 83.8 66.8 -58.1 -33.6 6.0 88.2 86.3 60 62 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.503 98.4 53.7 -71.5 -0.1 2.7 89.3 87.9 61 63 A D G < S+ 0 0 103 -3,-1.8 2,-0.5 1,-0.1 -1,-0.3 0.289 94.3 84.9-111.7 5.6 4.5 89.5 91.3 62 64 A S X - 0 0 12 -3,-1.9 3,-0.8 1,-0.1 -1,-0.1 -0.935 51.3-170.7-118.6 118.1 7.3 91.8 90.1 63 65 A S T 3 S+ 0 0 102 -42,-2.1 -1,-0.1 -2,-0.5 -4,-0.0 0.627 91.6 54.4 -75.4 -14.9 6.9 95.6 89.9 64 66 A S T 3 S+ 0 0 21 -43,-0.3 -1,-0.2 -42,-0.1 -44,-0.1 0.507 81.2 122.0 -96.6 -6.1 10.2 95.9 88.0 65 67 A Y < - 0 0 58 -3,-0.8 2,-0.4 -6,-0.2 23,-0.2 -0.241 43.7-162.5 -60.5 143.4 9.2 93.5 85.2 66 68 A K E -L 87 0C 116 21,-2.9 21,-2.0 0, 0.0 -1,-0.0 -0.978 16.6-131.2-132.1 116.6 9.2 94.7 81.6 67 69 A H E +L 86 0C 138 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.275 42.4 144.6 -67.9 147.8 7.3 92.7 79.0 68 70 A N E - 0 0 68 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.286 25.1-168.3-143.4 -64.5 8.7 91.7 75.6 69 71 A G E + 0 0 32 16,-2.7 2,-0.3 1,-0.2 17,-0.1 0.518 21.7 157.5 83.3 4.5 7.3 88.3 74.7 70 72 A T E - 0 0 82 15,-0.1 15,-2.1 14,-0.1 -1,-0.2 -0.500 45.2-116.8 -67.9 128.0 9.5 87.4 71.7 71 73 A E E +L 84 0C 163 -2,-0.3 2,-0.3 13,-0.2 13,-0.3 -0.284 39.4 178.4 -64.2 143.7 9.5 83.6 71.4 72 74 A L E -L 83 0C 13 11,-2.9 11,-2.6 2,-0.0 2,-0.4 -0.998 21.6-159.7-152.2 149.9 12.7 81.7 71.9 73 75 A T E -L 82 0C 64 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.997 8.2-160.2-129.7 129.9 14.1 78.1 71.9 74 76 A L E -L 81 0C 4 7,-3.1 7,-2.6 -2,-0.4 2,-0.7 -0.958 7.7-160.9-112.8 121.7 17.4 77.1 73.5 75 77 A R E -L 80 0C 170 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.890 11.7-179.9-109.5 109.4 18.9 73.9 72.4 76 78 A Y E > -L 79 0C 57 3,-2.7 3,-0.5 -2,-0.7 -42,-0.0 -0.509 42.4-103.6 -98.8 171.1 21.5 72.3 74.6 77 79 A S T 3 S+ 0 0 81 1,-0.2 3,-0.1 -2,-0.2 217,-0.1 0.826 120.3 32.0 -63.6 -33.8 23.4 69.0 74.0 78 80 A T T 3 S- 0 0 106 1,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.357 129.8 -14.0-108.2 6.9 21.2 67.1 76.5 79 81 A G E < -L 76 0C 17 -3,-0.5 -3,-2.7 32,-0.1 2,-0.3 -0.948 57.7-112.7 170.3 169.2 17.9 68.8 76.1 80 82 A T E -L 75 0C 66 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.931 16.4-168.4-127.9 146.2 15.8 71.7 74.8 81 83 A V E -L 74 0C 1 -7,-2.6 -7,-3.1 -2,-0.3 2,-0.3 -0.971 6.8-170.5-131.5 149.5 13.8 74.5 76.4 82 84 A S E +LM 73 106C 10 24,-1.7 23,-2.2 -2,-0.3 24,-1.7 -0.976 26.5 102.8-140.3 153.2 11.3 77.0 74.9 83 85 A G E -LM 72 104C 6 -11,-2.6 -11,-2.9 -2,-0.3 2,-0.3 -0.888 56.7 -66.8 175.4-141.7 9.5 80.1 76.0 84 86 A F E -LM 71 103C 24 19,-2.0 19,-3.4 -13,-0.3 -13,-0.2 -0.938 41.7 -95.4-142.9 161.4 9.6 83.8 75.6 85 87 A L E + M 0 102C 10 -15,-2.1 -16,-2.7 -2,-0.3 -17,-0.6 -0.513 38.1 170.5 -81.4 144.4 11.8 86.8 76.5 86 88 A S E -LM 67 101C 0 15,-2.5 15,-3.2 -2,-0.2 2,-0.4 -0.953 21.6-137.3-145.9 159.6 11.2 89.1 79.5 87 89 A Q E +LM 66 100C 66 -21,-2.0 -21,-2.9 -2,-0.3 2,-0.3 -0.970 36.2 131.8-125.5 140.4 13.1 91.9 81.2 88 90 A D E - 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