==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-06 2I4Q . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.D.HOLSWORTH,M.JALAIE,E.ZHANG,P.MCCONNELL,I.MOCHALKIN, . 670 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 201 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 72 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 8.4 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 3 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 . 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 . 6 8 4 7 9 2 1 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 2 2 0 3 0 1 0 0 0 0 0 1 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 0 A N 0 0 150 0, 0.0 2,-0.3 0, 0.0 148,-0.2 0.000 360.0 360.0 360.0 60.5 14.3 133.8 143.6 2 1 A T B -a 149 0A 60 146,-0.6 148,-1.3 173,-0.1 2,-0.3 -0.997 360.0-169.9-141.5 139.0 13.3 131.0 141.1 3 2 A T - 0 0 92 -2,-0.3 2,-0.3 146,-0.2 172,-0.2 -0.803 8.6-157.3-113.6 166.6 13.4 127.2 141.1 4 3 A S E -B 174 0B 14 170,-1.3 170,-1.9 -2,-0.3 2,-0.5 -0.806 2.4-165.4-151.0 101.7 12.7 125.0 138.0 5 4 A S E -B 173 0B 65 -2,-0.3 2,-0.5 168,-0.2 168,-0.2 -0.764 4.9-163.5 -87.6 129.3 11.6 121.4 138.3 6 5 A V E -B 172 0B 10 166,-2.1 166,-1.9 -2,-0.5 2,-0.3 -0.975 20.9-127.8-111.0 126.0 11.9 119.3 135.1 7 6 A I E -B 171 0B 121 -2,-0.5 12,-0.5 164,-0.2 2,-0.3 -0.531 24.8-152.9 -76.3 132.4 9.9 116.0 135.2 8 7 A L E -B 170 0B 2 162,-2.1 162,-1.0 -2,-0.3 161,-0.9 -0.799 7.0-135.0-107.9 148.7 11.9 112.9 134.3 9 8 A T E -G 17 0C 73 8,-3.2 8,-1.6 -2,-0.3 2,-0.7 -0.840 14.1-144.0-100.3 139.2 10.8 109.6 132.8 10 9 A N E -G 16 0C 19 -2,-0.4 2,-0.7 6,-0.2 152,-0.3 -0.918 12.4-168.2-107.6 106.5 12.0 106.4 134.3 11 10 A Y E >> S-G 15 0C 80 4,-2.5 3,-2.2 -2,-0.7 4,-1.7 -0.878 72.1 -38.3 -94.3 109.5 12.6 103.6 131.7 12 11 A M T 34 S- 0 0 102 -2,-0.7 -1,-0.1 1,-0.3 149,-0.1 0.670 101.1 -75.7 54.2 24.7 13.1 100.2 133.4 13 12 A D T 34 S+ 0 0 1 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.586 127.0 82.3 65.9 11.0 15.1 101.8 136.3 14 13 A T T <4 S+ 0 0 25 -3,-2.2 2,-0.4 1,-0.3 -2,-0.2 0.578 86.2 44.9-118.3 -20.9 18.2 102.2 134.0 15 14 A Q E < -G 11 0C 26 -4,-1.7 -4,-2.5 211,-0.1 2,-0.4 -0.998 55.9-177.2-130.9 132.5 17.5 105.4 132.1 16 15 A Y E +G 10 0C 7 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.988 20.5 155.2-129.2 120.4 16.2 108.7 133.5 17 16 A Y E -G 9 0C 13 -8,-1.6 -8,-3.2 -2,-0.4 2,-0.2 -0.981 20.7-164.8-146.3 152.5 15.6 111.6 131.1 18 17 A G E -H 31 0D 3 13,-2.3 13,-2.6 -2,-0.3 2,-0.3 -0.772 31.7 -86.2-129.3-179.7 13.6 114.8 130.6 19 18 A E E +H 30 0D 132 -12,-0.5 77,-0.3 -2,-0.2 2,-0.3 -0.652 35.6 174.9 -91.3 137.3 12.6 117.2 127.9 20 19 A I E -H 29 0D 2 9,-1.8 9,-2.1 -2,-0.3 2,-0.4 -0.948 21.0-138.9-126.3 158.3 14.5 120.2 126.6 21 20 A G E -HI 28 94D 5 73,-1.6 73,-2.3 -2,-0.3 2,-0.4 -0.952 16.0-170.1-113.3 137.9 13.7 122.5 123.7 22 21 A I E > -HI 27 93D 0 5,-2.1 5,-2.3 -2,-0.4 71,-0.2 -0.996 47.9 -2.3-129.2 126.7 16.4 123.7 121.3 23 22 A G T 5S- 0 0 5 69,-2.3 42,-0.1 -2,-0.4 71,-0.1 -0.319 91.2 -42.1 96.0-175.8 15.9 126.3 118.6 24 23 A T T 5S+ 0 0 58 1,-0.3 42,-1.9 2,-0.1 43,-0.2 -0.954 134.2 26.7-140.2 108.7 13.1 128.5 117.3 25 24 A P T 5S- 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.647 120.3-104.1 -68.5 161.4 10.6 127.1 117.1 26 25 A P T 5 - 0 0 85 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.319 27.3-157.3 -55.1 125.7 11.6 124.6 119.8 27 26 A Q E < -H 22 0D 27 -5,-2.3 -5,-2.1 -2,-0.1 2,-0.2 -0.955 24.1-137.0 -99.6 123.4 12.8 121.1 118.6 28 27 A T E -H 21 0D 54 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.553 23.6-177.6 -92.5 149.4 12.3 118.8 121.6 29 28 A F E -H 20 0D 3 -9,-2.1 -9,-1.8 -2,-0.2 2,-0.5 -0.999 28.4-128.4-143.9 139.1 14.7 116.1 122.8 30 29 A K E +H 19 0D 96 -2,-0.3 91,-2.4 -11,-0.2 92,-2.1 -0.802 41.7 176.3 -81.3 127.1 14.8 113.5 125.5 31 30 A V E -Hj 18 122D 0 -13,-2.6 -13,-2.3 -2,-0.5 2,-0.4 -0.990 31.3-128.0-138.6 144.1 18.1 114.0 127.4 32 31 A V E - j 0 123D 13 90,-1.9 92,-3.3 -2,-0.3 2,-0.7 -0.762 23.6-134.2 -85.9 132.9 19.8 112.5 130.5 33 32 A F E - j 0 124D 3 -17,-0.4 2,-0.5 -2,-0.4 92,-0.2 -0.849 33.0-169.5 -91.8 119.6 20.9 115.0 133.0 34 33 A D E > - j 0 125D 9 90,-2.7 92,-2.7 -2,-0.7 3,-1.2 -0.912 33.7-178.4-131.9 103.3 24.4 113.9 133.8 35 34 A T T 3 S+ 0 0 4 -2,-0.5 162,-0.5 1,-0.2 93,-0.2 0.607 86.2 69.5 -74.4 -13.4 26.8 115.0 136.6 36 35 A G T 3 S+ 0 0 37 91,-0.1 2,-0.3 160,-0.1 -1,-0.2 0.398 106.1 35.6 -82.7 0.0 29.5 112.6 135.2 37 36 A S < - 0 0 18 -3,-1.2 90,-2.1 87,-0.1 89,-0.5 -0.932 62.7-150.1-145.4 170.7 30.0 114.7 132.1 38 37 A S + 0 0 4 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.351 63.7 86.8-129.1 3.5 30.0 118.4 131.2 39 38 A N - 0 0 7 92,-0.1 86,-1.3 99,-0.1 2,-0.4 -0.808 61.3-138.4-109.0 149.0 28.8 118.7 127.6 40 39 A V E +K 124 0D 2 63,-0.4 65,-2.7 -2,-0.3 2,-0.3 -0.860 32.2 164.3 -95.8 138.3 25.3 119.0 126.0 41 40 A W E +Kl 123 105D 0 82,-2.1 82,-1.8 -2,-0.4 65,-0.2 -0.984 16.9 179.7-150.7 148.7 24.7 117.0 122.8 42 41 A V E - l 0 106D 0 63,-2.4 65,-2.3 -2,-0.3 80,-0.1 -0.964 44.5 -85.9-136.5 158.2 21.8 115.8 120.7 43 42 A P E - l 0 107D 0 0, 0.0 17,-2.7 0, 0.0 2,-0.3 -0.292 48.0-132.3 -62.0 150.8 21.7 113.8 117.5 44 43 A S B > -o 60 0E 0 63,-2.4 3,-1.6 15,-0.3 17,-0.2 -0.774 14.9-129.0-109.9 151.5 22.1 115.9 114.3 45 44 A S T 3 S+ 0 0 28 15,-2.7 16,-0.1 -2,-0.3 -1,-0.1 0.657 111.5 63.3 -66.4 -17.5 20.2 116.0 111.0 46 45 A K T 3 S+ 0 0 160 14,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.477 74.7 115.3 -85.1 -4.5 23.6 115.7 109.4 47 46 A a S < S- 0 0 0 -3,-1.6 62,-0.1 60,-0.3 61,-0.1 -0.579 77.4-114.7 -67.6 115.4 24.1 112.2 111.0 48 47 A S > - 0 0 55 60,-0.6 3,-1.9 -2,-0.5 6,-0.2 -0.205 14.8-129.5 -50.4 137.6 24.3 109.7 108.2 49 48 A R T 3 S+ 0 0 131 1,-0.3 -1,-0.1 5,-0.1 6,-0.1 0.465 100.6 83.6 -77.7 -1.1 21.4 107.3 108.3 50 49 A L T 3 S+ 0 0 159 1,-0.1 2,-0.9 4,-0.1 -1,-0.3 0.673 77.6 78.5 -66.4 -22.3 23.8 104.4 108.0 51 50 A Y S X> S- 0 0 70 -3,-1.9 3,-1.1 1,-0.2 4,-0.7 -0.836 74.9-164.4 -81.3 103.4 23.9 105.0 111.8 52 51 A T H 3> S+ 0 0 64 -2,-0.9 4,-1.4 1,-0.3 3,-0.4 0.776 84.1 66.9 -64.7 -29.2 20.7 103.3 112.7 53 52 A A H 34 S+ 0 0 0 57,-0.5 -1,-0.3 1,-0.2 -4,-0.1 0.836 100.3 51.3 -56.9 -35.0 20.7 105.0 116.1 54 53 A a H <4 S+ 0 0 1 -3,-1.1 3,-0.5 -6,-0.2 -1,-0.2 0.724 104.7 55.7 -74.5 -24.6 20.1 108.3 114.2 55 54 A V H < S+ 0 0 81 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.800 110.9 45.9 -71.2 -29.7 17.2 106.7 112.3 56 55 A Y S < S+ 0 0 159 -4,-1.4 2,-0.3 2,-0.1 -1,-0.2 0.232 108.4 66.1-101.4 12.7 15.6 105.9 115.7 57 56 A H S S- 0 0 25 -3,-0.5 2,-0.2 -5,-0.1 64,-0.1 -0.906 87.8 -93.4-133.1 160.8 16.1 109.2 117.4 58 57 A K - 0 0 90 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.514 42.9-151.8 -65.9 136.1 15.1 112.9 117.2 59 58 A L - 0 0 31 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.945 11.1-126.3-118.9 133.8 17.5 114.9 115.1 60 59 A F B -o 44 0E 0 -17,-2.7 -15,-2.7 -2,-0.4 2,-0.6 -0.676 20.2-161.3 -78.8 126.7 18.3 118.6 115.4 61 60 A D > - 0 0 53 -2,-0.4 3,-1.6 -17,-0.2 4,-0.2 -0.936 8.4-168.8-111.5 108.3 17.9 120.5 112.1 62 61 A A G > S+ 0 0 17 -2,-0.6 3,-1.5 1,-0.3 6,-0.3 0.816 85.5 67.3 -64.4 -32.0 19.8 123.8 112.2 63 62 A S G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.510 98.4 52.8 -66.4 -7.8 18.0 124.8 109.0 64 63 A D G < S+ 0 0 103 -3,-1.6 2,-0.5 -39,-0.0 -1,-0.3 0.395 94.8 82.4-105.3 -2.4 14.7 124.9 110.9 65 64 A S X - 0 0 12 -3,-1.5 3,-0.6 -4,-0.2 -42,-0.1 -0.926 52.3-170.7-109.2 124.1 16.0 127.2 113.7 66 65 A S T 3 S+ 0 0 105 -42,-1.9 -1,-0.1 -2,-0.5 -4,-0.0 0.676 90.6 55.6 -80.2 -18.5 16.1 131.0 113.2 67 66 A S T 3 S+ 0 0 19 -43,-0.2 -1,-0.2 25,-0.1 2,-0.1 0.337 82.1 121.7 -95.2 3.9 18.0 131.4 116.5 68 67 A Y < - 0 0 57 -3,-0.6 2,-0.4 -6,-0.3 23,-0.2 -0.404 43.7-163.8 -69.9 142.6 20.8 129.1 115.4 69 68 A K E -M 90 0D 121 21,-2.7 21,-2.4 -2,-0.1 2,-0.1 -0.997 18.0-126.4-129.7 130.0 24.4 130.3 115.3 70 69 A H E +M 89 0D 142 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.339 42.7 146.0 -73.4 145.2 27.1 128.3 113.5 71 70 A N E - 0 0 68 17,-0.7 18,-0.2 -2,-0.1 -1,-0.2 0.301 24.3-168.5-133.7 -62.2 30.4 127.2 115.0 72 71 A G E + 0 0 31 16,-2.4 2,-0.2 1,-0.3 17,-0.1 0.456 25.4 152.8 88.7 3.6 31.4 123.9 113.4 73 72 A T E - 0 0 77 15,-0.1 15,-2.2 14,-0.1 -1,-0.3 -0.484 46.2-117.4 -70.2 133.6 34.3 122.9 115.7 74 73 A E E -M 87 0D 171 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.304 36.4-179.9 -70.0 149.4 34.7 119.1 115.9 75 74 A L E -M 86 0D 13 11,-1.8 11,-1.8 2,-0.0 2,-0.4 -0.982 18.2-161.5-152.2 145.9 34.2 117.3 119.2 76 75 A T E -M 85 0D 40 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.992 8.4-159.2-126.2 132.9 34.3 113.8 120.6 77 76 A L E -M 84 0D 7 7,-2.5 7,-1.9 -2,-0.4 2,-0.7 -0.968 6.0-160.2-114.3 121.5 32.7 112.8 123.9 78 77 A R E +M 83 0D 189 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.897 11.9 179.5-110.0 105.2 34.0 109.6 125.5 79 78 A Y E > -M 82 0D 49 3,-2.6 3,-0.9 -2,-0.7 -42,-0.0 -0.629 42.5-108.0 -93.0 163.6 31.7 108.0 128.0 80 79 A S T 3 S+ 0 0 79 1,-0.2 220,-0.1 -2,-0.2 3,-0.1 0.776 119.1 34.4 -64.0 -27.3 32.6 104.8 129.9 81 80 A T T 3 S- 0 0 99 1,-0.3 2,-0.3 218,-0.0 -1,-0.2 0.332 129.4 -14.9-110.7 5.8 30.0 102.7 127.9 82 81 A G E < -M 79 0D 15 -3,-0.9 -3,-2.6 32,-0.1 2,-0.3 -0.937 56.6-116.8 165.5 169.0 30.3 104.5 124.5 83 82 A T E -M 78 0D 57 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.938 13.7-167.7-133.4 145.1 31.3 107.4 122.3 84 83 A V E -M 77 0D 3 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.3 -0.961 6.9-168.0-130.5 154.3 29.7 110.1 120.2 85 84 A S E +MN 76 109D 20 24,-1.8 24,-2.1 -2,-0.3 23,-1.7 -0.963 27.6 104.5-138.8 155.5 31.2 112.5 117.7 86 85 A G E -MN 75 107D 6 -11,-1.8 -11,-1.8 -2,-0.3 2,-0.3 -0.888 56.6 -69.4 173.7-140.8 30.0 115.6 115.8 87 86 A F E -MN 74 106D 28 19,-2.1 19,-3.3 -13,-0.3 -13,-0.2 -0.953 42.5 -94.2-146.2 164.0 30.5 119.4 115.8 88 87 A L E + N 0 105D 8 -15,-2.2 -16,-2.4 -2,-0.3 -17,-0.7 -0.488 37.8 171.8 -88.6 148.4 29.5 122.4 117.9 89 88 A S E -MN 70 104D 0 15,-2.4 15,-2.9 -18,-0.2 2,-0.4 -0.984 21.6-136.4-150.6 150.9 26.5 124.6 117.4 90 89 A Q E +MN 69 103D 66 -21,-2.4 -21,-2.7 -2,-0.3 2,-0.3 -0.933 36.4 134.0-116.7 136.9 24.8 127.5 119.4 91 90 A D E - 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