==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JAN-06 2FS4 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.D.HOLSWORTH,C.CAI,X.-M.CHENG,W.L.CODY,D.M.DOWNING,N.ERASGA . 658 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 71.6 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 . 206 31.3 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 . 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 . 83 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.2 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 . 5 9 5 9 5 5 1 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 . 1 1 2 0 3 0 0 3 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 3 A S 0 0 72 0, 0.0 167,-4.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.1 93.8 32.0 90.1 2 4 A S E -A 167 0A 58 165,-0.3 2,-0.5 91,-0.2 165,-0.2 -0.883 360.0-147.1-120.8 150.2 94.4 31.7 86.4 3 5 A V E -A 166 0A 7 163,-3.1 163,-2.1 -2,-0.3 2,-0.5 -0.961 19.1-133.6-114.9 128.7 94.0 28.9 83.9 4 6 A I E -A 165 0A 108 -2,-0.5 12,-0.5 161,-0.2 2,-0.3 -0.709 25.2-154.3 -82.4 127.1 96.4 28.7 80.9 5 7 A L E -A 164 0A 3 159,-2.4 159,-1.0 -2,-0.5 158,-0.8 -0.776 8.7-141.6-107.6 149.5 94.6 28.1 77.6 6 8 A T E -F 14 0B 67 8,-3.3 8,-2.0 -2,-0.3 2,-0.6 -0.869 14.9-142.5-104.8 135.3 95.7 26.5 74.4 7 9 A N E -F 13 0B 21 -2,-0.4 2,-0.6 6,-0.2 6,-0.2 -0.891 14.2-169.2-103.7 115.3 94.5 28.0 71.1 8 10 A Y E >> S-F 12 0B 77 4,-2.7 3,-2.3 -2,-0.6 4,-2.0 -0.924 71.4 -36.8-106.4 113.4 93.8 25.4 68.4 9 11 A M T 34 S- 0 0 111 -2,-0.6 -1,-0.1 1,-0.3 149,-0.1 0.632 101.6 -77.2 48.0 22.1 93.2 27.0 64.9 10 12 A D T 34 S+ 0 0 23 2,-0.2 -1,-0.3 148,-0.1 3,-0.1 0.569 127.4 81.0 69.4 7.5 91.4 29.9 66.5 11 13 A T T <4 S+ 0 0 23 -3,-2.3 2,-0.5 1,-0.3 -2,-0.2 0.640 85.4 46.6-116.6 -22.3 88.3 27.7 67.0 12 14 A Q E < -F 8 0B 27 -4,-2.0 -4,-2.7 208,-0.1 2,-0.6 -0.970 57.6-176.2-129.0 119.0 89.0 25.7 70.1 13 15 A Y E +F 7 0B 5 -2,-0.5 17,-0.5 -6,-0.2 2,-0.3 -0.957 20.3 164.7-113.6 117.8 90.3 27.3 73.3 14 16 A Y E -FG 6 29B 18 -8,-2.0 -8,-3.3 -2,-0.6 15,-0.2 -0.968 20.5-171.5-139.7 153.6 91.0 24.8 76.1 15 17 A G E - G 0 28B 2 13,-2.6 13,-3.0 -2,-0.3 2,-0.3 -0.728 31.6 -95.2-128.2 178.6 92.8 24.4 79.4 16 18 A E E + G 0 27B 105 -12,-0.5 77,-0.5 -2,-0.2 2,-0.3 -0.774 31.1 178.4-105.9 144.4 93.5 21.5 81.7 17 19 A I E -HG 92 26B 4 9,-1.9 9,-2.1 -2,-0.3 2,-0.5 -0.940 20.4-136.5-133.3 156.4 91.7 20.3 84.8 18 20 A G E -HG 91 25B 7 73,-2.1 73,-3.6 -2,-0.3 2,-0.4 -0.970 17.0-168.7-118.9 131.4 92.5 17.3 87.0 19 21 A I E > -HG 90 24B 0 5,-2.6 5,-2.2 -2,-0.5 71,-0.2 -0.965 46.6 -1.5-122.1 133.1 89.9 14.9 88.2 20 22 A G T 5S- 0 0 3 69,-2.2 42,-0.1 -2,-0.4 68,-0.1 -0.184 90.6 -44.3 89.6 178.3 90.3 12.2 90.9 21 23 A T T 5S+ 0 0 54 1,-0.2 42,-2.1 2,-0.1 43,-0.3 -0.969 134.1 27.5-135.3 111.6 93.0 10.9 93.2 22 24 A P T 5S- 0 0 92 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.651 120.7-104.5 -67.8 164.3 95.6 10.6 91.7 23 25 A P T 5 - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.321 27.1-154.6 -64.3 133.6 94.6 13.3 89.2 24 26 A Q E < -G 19 0B 28 -5,-2.2 -5,-2.6 -2,-0.1 2,-0.2 -0.963 23.4-131.9-108.8 123.1 93.5 12.2 85.8 25 27 A T E +G 18 0B 50 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.538 27.0 178.9 -83.3 139.8 94.1 15.1 83.3 26 28 A F E -G 17 0B 0 -9,-2.1 -9,-1.9 -2,-0.2 2,-0.5 -0.998 27.5-132.3-141.9 143.3 91.6 16.4 80.7 27 29 A K E +G 16 0B 71 -2,-0.3 91,-2.5 -11,-0.2 92,-2.4 -0.817 39.0 177.1 -91.8 128.5 91.6 19.1 78.1 28 30 A V E -Gi 15 119B 0 -13,-3.0 -13,-2.6 -2,-0.5 2,-0.4 -0.983 30.4-132.7-139.3 149.9 88.4 21.2 78.5 29 31 A V E -Gi 14 120B 12 90,-1.7 92,-2.8 -2,-0.3 2,-0.7 -0.769 24.0-133.9 -93.9 138.6 86.7 24.2 76.9 30 32 A F E - i 0 121B 5 -17,-0.5 2,-0.6 -2,-0.4 92,-0.2 -0.877 28.4-168.7 -98.8 116.0 85.3 26.7 79.4 31 33 A D E > - i 0 122B 14 90,-1.9 92,-3.0 -2,-0.7 3,-1.2 -0.899 27.6-173.3-115.0 110.5 81.8 27.6 78.2 32 34 A T T 3 S+ 0 0 4 -2,-0.6 159,-0.5 1,-0.2 93,-0.2 0.618 86.9 69.4 -73.6 -7.7 79.6 30.4 79.5 33 35 A G T 3 S+ 0 0 36 91,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.609 103.9 35.3 -85.0 -12.4 76.8 29.1 77.3 34 36 A S < - 0 0 13 -3,-1.2 90,-2.8 87,-0.1 89,-0.6 -0.854 61.7-149.5-133.9 171.3 76.3 25.9 79.4 35 37 A S + 0 0 3 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.397 62.2 90.3-126.1 3.8 76.4 24.9 83.1 36 38 A N - 0 0 7 92,-0.1 86,-1.5 99,-0.1 2,-0.4 -0.717 60.9-137.4-103.9 155.4 77.5 21.3 83.3 37 39 A V E +J 121 0B 3 63,-0.4 65,-3.3 -2,-0.3 2,-0.3 -0.891 32.6 163.8-105.5 135.7 80.9 19.7 83.6 38 40 A W E +Jk 120 102B 1 82,-2.5 82,-1.8 -2,-0.4 65,-0.2 -0.985 17.6 175.7-155.9 148.5 81.7 16.6 81.6 39 41 A V E - k 0 103B 0 63,-2.0 65,-2.5 -2,-0.3 80,-0.1 -0.929 46.7 -82.2-140.9 160.4 84.5 14.4 80.3 40 42 A P E - k 0 104B 0 0, 0.0 17,-3.4 0, 0.0 2,-0.3 -0.422 48.6-132.2 -67.1 145.2 84.6 11.1 78.4 41 43 A S B > -n 57 0C 0 63,-2.8 3,-2.1 15,-0.3 17,-0.2 -0.739 13.7-130.9-102.5 147.8 84.2 8.0 80.5 42 44 A S T 3 S+ 0 0 29 15,-3.2 16,-0.1 -2,-0.3 -1,-0.1 0.710 110.2 66.2 -64.2 -17.6 86.1 4.8 80.6 43 45 A K T 3 S+ 0 0 151 14,-0.3 2,-0.5 61,-0.1 -1,-0.3 0.434 74.4 115.2 -84.5 3.5 82.7 3.2 80.4 44 46 A a S < S- 0 0 2 -3,-2.1 62,-0.1 60,-0.2 61,-0.1 -0.633 77.4-111.5 -77.7 120.3 82.2 4.6 76.9 45 47 A S > - 0 0 52 60,-0.6 3,-2.3 -2,-0.5 6,-0.2 -0.204 16.8-131.9 -49.9 132.1 82.0 1.8 74.3 46 48 A R T 3 S+ 0 0 134 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.463 100.3 83.6 -69.1 2.4 85.0 1.8 72.1 47 49 A L T 3 S+ 0 0 150 1,-0.1 2,-1.1 4,-0.1 -1,-0.3 0.703 75.3 78.4 -74.6 -20.2 82.5 1.6 69.2 48 50 A Y S X> S- 0 0 76 -3,-2.3 3,-1.4 1,-0.2 4,-1.0 -0.799 75.9-161.8 -86.6 101.2 82.3 5.3 69.7 49 51 A T H >> S+ 0 0 66 -2,-1.1 4,-1.7 1,-0.3 3,-0.5 0.844 85.5 65.8 -55.5 -34.0 85.6 6.2 67.9 50 52 A A H 34 S+ 0 0 0 57,-0.5 -1,-0.3 1,-0.3 -4,-0.1 0.847 100.2 52.5 -56.8 -33.0 85.6 9.6 69.6 51 53 A a H X4 S+ 0 0 1 -3,-1.4 3,-1.0 56,-0.2 -1,-0.3 0.825 104.3 54.7 -72.3 -31.1 86.1 7.8 72.9 52 54 A V H << S+ 0 0 82 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.836 110.4 49.0 -69.2 -30.5 89.0 5.9 71.4 53 55 A Y T 3< S+ 0 0 157 -4,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.196 106.2 61.9 -95.8 15.7 90.6 9.3 70.5 54 56 A H S < S- 0 0 23 -3,-1.0 2,-0.2 64,-0.0 64,-0.1 -0.926 89.9 -89.1-137.3 164.1 90.2 11.1 73.9 55 57 A K - 0 0 90 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.538 45.5-149.2 -68.8 133.1 91.3 10.8 77.5 56 58 A L - 0 0 29 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.916 9.6-127.5-112.1 131.5 88.8 8.7 79.5 57 59 A F B -n 41 0C 0 -17,-3.4 -15,-3.2 -2,-0.5 2,-0.7 -0.613 21.6-162.5 -77.1 126.2 87.9 9.1 83.1 58 60 A D > - 0 0 46 -2,-0.4 3,-1.6 -17,-0.2 4,-0.1 -0.914 9.3-170.0-114.3 105.4 88.3 5.9 85.0 59 61 A A G > S+ 0 0 16 -2,-0.7 3,-1.8 1,-0.3 6,-0.2 0.804 83.2 67.4 -62.4 -30.5 86.5 5.9 88.3 60 62 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.529 98.5 53.8 -72.0 -1.9 88.1 2.6 89.4 61 63 A D G < S+ 0 0 101 -3,-1.6 2,-0.5 1,-0.1 -1,-0.3 0.276 95.4 80.8-110.5 5.5 91.4 4.4 89.5 62 64 A S X - 0 0 12 -3,-1.8 3,-0.6 1,-0.1 -42,-0.1 -0.961 53.2-169.0-119.9 122.0 90.3 7.2 91.8 63 65 A S T 3 S+ 0 0 106 -42,-2.1 -1,-0.1 -2,-0.5 -4,-0.0 0.617 90.5 55.6 -80.9 -13.0 90.0 6.8 95.6 64 66 A S T 3 S+ 0 0 25 -43,-0.3 -1,-0.2 -42,-0.1 -44,-0.1 0.469 81.3 122.7 -96.7 -2.2 88.2 10.1 96.0 65 67 A Y < - 0 0 58 -3,-0.6 2,-0.4 -6,-0.2 23,-0.2 -0.296 44.5-161.8 -63.2 140.8 85.4 9.1 93.6 66 68 A K E -L 87 0B 121 21,-2.9 21,-2.1 -2,-0.0 -2,-0.0 -0.977 15.8-131.4-129.5 116.8 81.8 9.1 94.8 67 69 A H E +L 86 0B 142 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.266 40.9 147.1 -66.8 147.4 79.1 7.2 92.8 68 70 A N E - 0 0 64 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.323 25.7-165.8-141.6 -61.6 75.8 8.7 91.9 69 71 A G E + 0 0 34 16,-2.4 2,-0.2 1,-0.2 17,-0.1 0.435 24.5 155.8 85.0 -0.8 74.8 7.2 88.5 70 72 A T E - 0 0 79 15,-0.1 15,-2.5 14,-0.1 -1,-0.2 -0.439 44.2-120.4 -65.6 128.3 72.0 9.6 87.5 71 73 A E E +L 84 0B 158 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.389 36.9 177.3 -69.1 139.3 71.6 9.6 83.7 72 74 A L E -L 83 0B 14 11,-2.6 11,-2.7 -2,-0.1 2,-0.4 -0.998 20.4-160.8-149.4 146.1 72.0 12.8 81.8 73 75 A T E -L 82 0B 65 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.974 10.0-157.4-123.1 135.7 72.0 14.0 78.3 74 76 A L E -L 81 0B 5 7,-3.5 7,-2.3 -2,-0.4 2,-0.6 -0.974 6.1-160.8-118.5 119.9 73.6 17.3 77.2 75 77 A R E +L 80 0B 131 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.879 12.9 177.6-106.7 112.1 72.4 19.0 74.0 76 78 A Y - 0 0 54 3,-2.9 3,-0.2 -2,-0.6 -42,-0.0 -0.481 44.1-101.5-101.7 176.5 74.6 21.6 72.4 77 79 A S S S+ 0 0 77 1,-0.2 217,-0.1 -2,-0.2 3,-0.1 0.884 121.2 30.5 -64.2 -41.0 74.2 23.5 69.1 78 80 A T S S- 0 0 110 1,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.346 129.4 -15.6-102.8 4.4 76.5 21.3 67.2 79 81 A G - 0 0 16 -3,-0.2 -3,-2.9 32,-0.1 2,-0.3 -0.955 55.7-112.2 171.2 170.5 76.1 18.0 69.0 80 82 A T E -L 75 0B 64 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.939 15.2-170.5-129.6 146.9 75.0 15.9 71.9 81 83 A V E -L 74 0B 1 -7,-2.3 -7,-3.5 -2,-0.3 2,-0.3 -0.978 7.4-169.9-132.8 147.4 76.6 13.8 74.6 82 84 A S E +LM 73 106B 13 24,-1.7 23,-2.0 -2,-0.3 24,-1.8 -0.972 26.7 107.1-137.9 151.9 75.0 11.4 77.0 83 85 A G E -LM 72 104B 6 -11,-2.7 -11,-2.6 -2,-0.3 2,-0.3 -0.865 55.8 -67.7 178.3-142.6 76.2 9.5 80.2 84 86 A F E -LM 71 103B 28 19,-2.2 19,-3.5 -13,-0.3 -13,-0.2 -0.960 40.9 -97.7-142.5 159.6 75.8 9.6 83.9 85 87 A L E + M 0 102B 13 -15,-2.5 -16,-2.4 -2,-0.3 -17,-0.6 -0.455 37.8 168.8 -80.0 146.6 76.7 11.7 86.9 86 88 A S E -LM 67 101B 0 15,-2.5 15,-3.4 -18,-0.2 2,-0.4 -0.963 21.8-138.2-149.6 159.5 79.7 11.2 89.2 87 89 A Q E +LM 66 100B 60 -21,-2.1 -21,-2.9 -2,-0.3 2,-0.3 -0.957 35.3 132.7-125.4 143.3 81.4 13.2 92.0 88 90 A D E - M 0 99B 1 11,-1.7 11,-2.8 -2,-0.4 2,-0.4 -0.961 58.2 -71.2-171.4 174.5 85.1 13.6 92.6 89 91 A I E - 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