==== 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 2G24 . 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) . 28761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 473 71.9 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 . 207 31.5 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 . 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 . 85 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 8.5 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 7 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 8 6 9 6 4 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 . 2 1 2 0 3 0 1 2 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 73 0, 0.0 167,-3.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 133.1 12.8 124.8 137.5 2 4 A S E -A 167 0A 58 165,-0.3 2,-0.5 91,-0.1 165,-0.2 -0.938 360.0-148.2-123.7 144.7 12.3 121.0 137.4 3 5 A V E -A 166 0A 8 163,-2.9 163,-2.1 -2,-0.4 2,-0.3 -0.941 19.2-132.3-110.9 127.1 12.4 118.6 134.5 4 6 A I E -A 165 0A 100 -2,-0.5 12,-0.5 161,-0.2 2,-0.3 -0.611 25.9-151.6 -77.8 134.5 10.1 115.5 134.5 5 7 A L E -A 164 0A 2 159,-2.6 159,-1.1 -2,-0.3 158,-0.7 -0.819 7.9-136.9-112.5 150.7 12.0 112.3 133.7 6 8 A T E -F 14 0B 70 8,-3.6 8,-2.0 -2,-0.3 2,-0.7 -0.837 16.1-141.6-102.4 137.0 10.8 109.0 132.1 7 9 A N E -F 13 0B 20 -2,-0.4 2,-0.7 6,-0.2 152,-0.2 -0.890 13.7-167.5-103.6 112.2 12.0 105.8 133.7 8 10 A Y E >> S-F 12 0B 72 4,-2.9 3,-2.4 -2,-0.7 4,-2.1 -0.886 70.6 -39.9-101.8 109.2 12.8 103.1 131.1 9 11 A M T 34 S- 0 0 109 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.649 100.5 -74.2 50.3 24.7 13.3 99.7 132.7 10 12 A D T 34 S+ 0 0 29 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.595 129.8 78.3 68.1 8.3 15.2 101.1 135.7 11 13 A T T <4 S+ 0 0 25 -3,-2.4 2,-0.5 1,-0.3 -2,-0.2 0.632 86.9 44.8-120.7 -22.1 18.2 101.6 133.4 12 14 A Q E < -F 8 0B 30 -4,-2.1 -4,-2.9 208,-0.1 2,-0.5 -0.954 58.2-177.9-131.1 114.5 17.5 104.7 131.3 13 15 A Y E +F 7 0B 7 -2,-0.5 17,-0.4 -6,-0.2 2,-0.3 -0.951 18.9 161.6-111.4 122.9 16.2 107.9 132.9 14 16 A Y E -F 6 0B 18 -8,-2.0 -8,-3.6 -2,-0.5 15,-0.2 -0.987 21.5-168.7-145.8 154.1 15.6 110.8 130.5 15 17 A G E -G 28 0C 3 13,-2.5 13,-3.3 -2,-0.3 2,-0.3 -0.681 30.6 -97.2-127.0-178.9 13.7 114.1 130.1 16 18 A E E +G 27 0C 96 -12,-0.5 77,-0.5 11,-0.2 2,-0.3 -0.824 30.0 177.6-110.4 146.2 13.0 116.4 127.3 17 19 A I E -GH 26 92C 5 9,-1.7 9,-1.9 -2,-0.3 2,-0.4 -0.916 22.6-132.9-134.5 158.4 14.7 119.6 126.1 18 20 A G E -GH 25 91C 7 73,-1.8 73,-3.1 -2,-0.3 2,-0.4 -0.958 18.3-164.4-118.5 135.8 13.9 121.7 123.1 19 21 A I E > -GH 24 90C 0 5,-2.6 5,-2.3 -2,-0.4 71,-0.2 -0.971 44.9 -8.0-125.4 134.7 16.4 123.0 120.6 20 22 A G T 5S- 0 0 3 69,-2.4 42,-0.1 -2,-0.4 68,-0.1 -0.171 91.9 -37.0 84.5-177.4 16.2 125.7 118.0 21 23 A T T 5S+ 0 0 55 2,-0.1 42,-1.9 1,-0.1 43,-0.2 -0.968 135.6 24.9-133.7 113.2 13.4 127.8 116.6 22 24 A P T 5S- 0 0 90 0, 0.0 2,-0.1 0, 0.0 42,-0.1 0.664 120.7-102.9 -66.6 167.9 10.8 126.4 116.4 23 25 A P T 5 - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.353 27.8-151.7 -65.8 134.8 11.9 124.0 119.1 24 26 A Q E < -G 19 0C 28 -5,-2.3 -5,-2.6 -2,-0.1 2,-0.2 -0.952 22.3-131.1-108.4 123.5 13.0 120.5 118.0 25 27 A T E +G 18 0C 55 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.498 28.1 176.6 -80.1 141.1 12.3 118.0 120.8 26 28 A F E -G 17 0C 0 -9,-1.9 -9,-1.7 -2,-0.2 2,-0.5 -0.999 28.6-132.6-145.7 143.0 14.8 115.5 122.1 27 29 A K E +G 16 0C 67 -2,-0.3 91,-3.0 -11,-0.2 92,-2.3 -0.833 39.8 176.4 -92.3 126.3 14.9 112.8 124.9 28 30 A V E -Gi 15 119C 0 -13,-3.3 -13,-2.5 -2,-0.5 2,-0.4 -0.978 32.2-130.1-139.2 148.5 18.1 113.2 126.9 29 31 A V E - i 0 120C 15 90,-1.7 92,-2.9 -2,-0.3 2,-0.9 -0.776 23.5-135.3 -91.4 134.0 19.9 111.8 129.9 30 32 A F E - i 0 121C 4 -2,-0.4 2,-0.6 -17,-0.4 92,-0.2 -0.855 31.9-167.8 -93.0 111.3 21.1 114.3 132.4 31 33 A D E > - i 0 122C 11 90,-2.1 92,-4.1 -2,-0.9 3,-1.1 -0.897 31.3-176.2-113.4 112.9 24.6 113.0 133.1 32 34 A T T 3 S+ 0 0 4 -2,-0.6 159,-0.5 1,-0.2 93,-0.2 0.541 86.0 70.9 -79.3 -6.1 26.9 114.1 135.9 33 35 A G T 3 S+ 0 0 36 91,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.366 104.7 33.6 -90.1 2.6 29.5 111.8 134.5 34 36 A S < - 0 0 18 -3,-1.1 90,-2.7 87,-0.1 89,-0.4 -0.935 61.9-147.9-147.5 171.1 30.1 113.9 131.4 35 37 A S + 0 0 4 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.384 64.4 87.3-127.6 5.2 30.1 117.6 130.5 36 38 A N - 0 0 7 92,-0.1 86,-1.6 99,-0.1 2,-0.4 -0.759 60.7-139.4-108.3 155.1 29.0 118.0 126.8 37 39 A V E +J 121 0C 4 63,-0.4 65,-3.3 -2,-0.3 2,-0.3 -0.884 33.3 158.6-107.0 140.0 25.5 118.3 125.3 38 40 A W E +Jk 120 102C 0 82,-2.2 82,-2.0 -2,-0.4 65,-0.2 -0.976 18.3 179.5-159.4 152.6 24.8 116.3 122.1 39 41 A V E - k 0 103C 0 63,-2.1 65,-2.4 -2,-0.3 80,-0.2 -0.943 46.4 -80.4-146.6 159.2 21.9 115.0 120.1 40 42 A P E - k 0 104C 0 0, 0.0 17,-3.2 0, 0.0 2,-0.3 -0.333 49.5-132.3 -62.9 146.8 21.8 113.1 116.7 41 43 A S B > -n 57 0D 0 63,-3.0 3,-2.1 15,-0.3 17,-0.2 -0.739 15.1-129.2-107.0 151.2 22.2 115.2 113.6 42 44 A S T 3 S+ 0 0 30 15,-2.7 16,-0.1 -2,-0.3 -1,-0.1 0.743 112.4 64.8 -64.4 -20.3 20.2 115.3 110.4 43 45 A K T 3 S+ 0 0 145 14,-0.4 2,-0.6 61,-0.1 -1,-0.3 0.438 74.9 113.7 -82.0 1.1 23.7 115.1 108.8 44 46 A a S < S- 0 0 2 -3,-2.1 62,-0.1 60,-0.2 61,-0.1 -0.652 78.7-112.3 -77.5 118.5 24.1 111.6 110.3 45 47 A S > - 0 0 55 -2,-0.6 3,-1.7 60,-0.6 6,-0.3 -0.131 15.4-130.7 -47.0 139.8 24.2 109.1 107.5 46 48 A R T 3 S+ 0 0 136 1,-0.3 -1,-0.2 5,-0.1 6,-0.2 0.516 102.4 80.0 -75.0 -2.5 21.2 106.9 107.4 47 49 A L T 3 S+ 0 0 152 1,-0.1 2,-1.2 4,-0.1 -1,-0.3 0.640 76.9 81.2 -73.6 -16.4 23.6 103.9 107.1 48 50 A Y S X> S- 0 0 73 -3,-1.7 3,-1.4 1,-0.2 4,-0.8 -0.807 74.9-163.2 -88.4 99.8 23.9 104.5 110.9 49 51 A T H >> S+ 0 0 65 -2,-1.2 4,-1.4 1,-0.3 3,-0.9 0.836 84.4 65.1 -55.4 -33.4 20.8 102.7 111.8 50 52 A A H 34 S+ 0 0 0 57,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.856 100.1 52.8 -59.5 -32.3 20.8 104.4 115.2 51 53 A a H X4 S+ 0 0 1 -3,-1.4 3,-0.6 -6,-0.3 -1,-0.3 0.753 103.2 56.5 -75.1 -22.1 20.2 107.7 113.4 52 54 A V H << S+ 0 0 84 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.810 110.3 46.4 -75.5 -28.7 17.2 106.2 111.6 53 55 A Y T 3< S+ 0 0 160 -4,-1.4 2,-0.3 -3,-0.1 -1,-0.2 0.222 106.9 64.1 -98.5 12.0 15.6 105.3 115.0 54 56 A H S < S- 0 0 23 -3,-0.6 2,-0.3 -4,-0.1 64,-0.1 -0.877 90.1 -90.7-132.2 166.3 16.1 108.6 116.8 55 57 A K - 0 0 92 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.581 44.8-148.3 -72.5 136.1 15.1 112.2 116.6 56 58 A L - 0 0 31 -2,-0.3 2,-0.5 -17,-0.1 -15,-0.3 -0.914 9.7-127.3-113.0 133.5 17.6 114.2 114.5 57 59 A F B -n 41 0D 0 -17,-3.2 -15,-2.7 -2,-0.4 2,-0.7 -0.660 22.4-163.6 -79.0 124.2 18.5 117.9 114.9 58 60 A D > - 0 0 47 -2,-0.5 3,-2.0 -17,-0.2 4,-0.2 -0.871 9.8-171.2-113.6 100.6 18.1 119.7 111.6 59 61 A A G > S+ 0 0 16 -2,-0.7 3,-2.1 1,-0.3 6,-0.3 0.817 83.0 67.6 -55.5 -35.4 19.9 123.1 111.7 60 62 A S G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 3,-0.0 0.479 99.0 52.3 -69.2 0.0 18.3 124.1 108.4 61 63 A D G < S+ 0 0 102 -3,-2.0 2,-0.5 -39,-0.1 -1,-0.3 0.311 96.8 81.6-112.4 1.6 14.9 124.2 110.1 62 64 A S < - 0 0 13 -3,-2.1 3,-0.4 -4,-0.2 -42,-0.1 -0.948 53.5-169.5-116.1 126.6 16.1 126.5 112.9 63 65 A S S S+ 0 0 102 -42,-1.9 -1,-0.1 -2,-0.5 -4,-0.0 0.573 89.7 55.0 -85.8 -12.2 16.4 130.3 112.5 64 66 A S S S+ 0 0 23 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.435 81.2 123.1 -99.3 0.3 18.3 130.7 115.8 65 67 A Y - 0 0 58 -3,-0.4 2,-0.4 -6,-0.3 23,-0.2 -0.303 44.3-162.4 -63.6 141.6 21.0 128.2 114.8 66 68 A K E -L 87 0C 115 21,-2.9 21,-2.0 -2,-0.0 2,-0.0 -0.982 15.6-132.4-130.2 118.6 24.6 129.5 114.8 67 69 A H E +L 86 0C 138 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.306 39.8 148.3 -70.5 148.2 27.3 127.4 112.9 68 70 A N E - 0 0 65 17,-0.7 18,-0.2 -2,-0.0 -1,-0.2 0.322 25.5-164.5-139.7 -66.3 30.7 126.5 114.4 69 71 A G E + 0 0 32 16,-2.9 17,-0.1 1,-0.3 2,-0.1 0.379 25.4 154.7 92.7 -5.9 31.7 123.2 112.9 70 72 A T E - 0 0 79 15,-0.2 15,-2.3 14,-0.1 -1,-0.3 -0.369 45.7-119.3 -60.7 129.7 34.5 122.1 115.2 71 73 A E E -L 84 0C 125 13,-0.2 2,-0.3 -2,-0.1 13,-0.3 -0.335 37.0-179.5 -68.1 148.3 34.8 118.3 115.2 72 74 A L E -L 83 0C 10 11,-2.2 11,-2.5 2,-0.0 2,-0.4 -0.981 20.3-161.0-155.6 143.6 34.3 116.4 118.4 73 75 A T E -L 82 0C 36 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.988 8.9-164.8-124.6 130.8 34.3 112.9 119.7 74 76 A L E -L 81 0C 6 7,-3.2 7,-2.7 -2,-0.4 2,-0.5 -0.970 6.3-167.1-118.0 121.1 32.7 111.9 123.0 75 77 A R E -L 80 0C 165 -2,-0.5 5,-0.3 5,-0.2 2,-0.2 -0.942 5.6-177.8-118.2 126.2 33.5 108.6 124.5 76 78 A Y E > -L 79 0C 53 3,-3.8 3,-0.7 -2,-0.5 -42,-0.0 -0.575 44.6 -98.9-106.8 173.1 31.6 107.0 127.3 77 79 A S T 3 S+ 0 0 91 1,-0.2 217,-0.1 -2,-0.2 3,-0.1 0.797 123.7 34.3 -64.2 -29.0 32.3 103.8 129.1 78 80 A T T 3 S- 0 0 101 1,-0.2 2,-0.3 33,-0.0 -1,-0.2 0.335 128.9 -14.1-109.3 5.9 29.7 101.9 127.0 79 81 A G E < -L 76 0C 16 -3,-0.7 -3,-3.8 32,-0.1 2,-0.3 -0.952 54.3-117.4 171.3 169.3 30.1 103.7 123.7 80 82 A T E -L 75 0C 51 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.967 15.2-170.6-131.5 144.6 31.3 106.6 121.6 81 83 A V E -L 74 0C 2 -7,-2.7 -7,-3.2 -2,-0.3 2,-0.3 -0.965 7.7-168.1-130.7 149.8 29.7 109.2 119.4 82 84 A S E +LM 73 106C 15 24,-1.9 24,-2.1 -2,-0.3 23,-2.0 -0.968 27.4 106.6-138.1 152.4 31.3 111.7 117.0 83 85 A G E -LM 72 104C 6 -11,-2.5 -11,-2.2 -2,-0.3 2,-0.3 -0.841 55.9 -67.8 178.3-140.3 30.2 114.8 115.1 84 86 A F E -LM 71 103C 25 19,-2.0 19,-3.9 -13,-0.3 -13,-0.2 -0.963 40.8 -97.8-144.2 161.7 30.6 118.6 115.2 85 87 A L E + M 0 102C 6 -15,-2.3 -16,-2.9 -2,-0.3 -17,-0.7 -0.553 38.9 165.5 -85.2 142.4 29.7 121.6 117.3 86 88 A S E -LM 67 101C 0 15,-2.4 15,-2.9 -2,-0.2 2,-0.4 -0.907 23.8-135.1-144.2 167.8 26.8 123.9 116.8 87 89 A Q E +LM 66 100C 64 -21,-2.0 -21,-2.9 -2,-0.3 2,-0.3 -0.977 34.8 134.9-131.2 144.5 25.0 126.6 118.8 88 90 A D E - M 0 99C 1 11,-1.8 11,-3.0 -2,-0.4 2,-0.4 -0.957 56.6 -74.2-171.5 172.1 21.3 127.2 119.3 89 91 A I E - M 0 98C 48 -2,-0.3 -69,-2.4 9,-0.2 2,-0.4 -0.655 44.1-160.5 -84.4 136.2 18.9 128.0 122.0 90 92 A I E -HM 19 97C 0 7,-3.2 7,-2.3 -2,-0.4 2,-0.6 -0.958 7.6-149.2-120.1 134.8 18.0 125.2 124.3 91 93 A T E +HM 18 96C 47 -73,-3.1 -73,-1.8 -2,-0.4 2,-0.5 -0.901 17.1 177.3-104.2 124.9 14.9 124.9 126.5 92 94 A V E > S-HM 17 95C 5 3,-2.8 3,-2.0 -2,-0.6 -75,-0.1 -0.938 70.3 -36.7-129.4 105.8 15.4 123.0 129.8 93 95 A G T 3 S- 0 0 29 -77,-0.5 -91,-0.1 -2,-0.5 3,-0.1 0.882 124.6 -39.2 46.3 53.2 12.4 122.9 132.0 94 96 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 -93,-0.1 2,-0.3 0.039 117.6 110.5 91.4 -30.5 11.2 126.4 131.4 95 97 A I E < - M 0 92C 13 -3,-2.0 -3,-2.8 2,-0.0 2,-0.5 -0.585 53.1-156.9 -81.5 141.5 14.7 127.8 131.3 96 98 A T E + M 0 91C 72 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.981 18.4 165.6-122.8 127.7 16.1 129.1 128.0 97 99 A V E - M 0 90C 3 -7,-2.3 -7,-3.2 -2,-0.5 2,-0.5 -0.999 40.0-119.4-142.8 142.6 19.8 129.3 127.3 98 100 A T E - 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