==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-FEB-06 2G22 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.D.HOLSWORTH,M.JALAIEA,E.ZHANGA,P.MCCONNELLA . 666 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 30.3 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 . 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 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 8.0 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 6 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 1 5 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 9 5 9 5 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 2 2 0 4 0 1 1 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 63 0, 0.0 170,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.0 93.1 32.0 89.9 2 4 A S E -A 170 0A 63 168,-0.2 2,-0.5 91,-0.2 168,-0.2 -0.962 360.0-153.2-130.5 147.5 93.9 31.9 86.2 3 5 A V E -A 169 0A 9 166,-2.1 166,-1.7 -2,-0.4 2,-0.3 -0.982 19.2-129.8-122.5 124.0 94.0 29.1 83.7 4 6 A I E -A 168 0A 105 -2,-0.5 12,-0.5 164,-0.2 2,-0.3 -0.544 26.8-150.6 -72.1 133.3 96.2 29.2 80.6 5 7 A L E -A 167 0A 3 162,-3.0 162,-1.2 -2,-0.3 161,-0.9 -0.802 5.8-138.5-108.6 149.2 94.3 28.4 77.4 6 8 A T E -F 14 0B 71 8,-3.4 8,-1.8 -2,-0.3 2,-0.7 -0.852 14.5-144.0-102.6 137.5 95.4 26.8 74.2 7 9 A N E -F 13 0B 18 -2,-0.4 2,-0.7 6,-0.2 152,-0.3 -0.899 12.5-166.4-107.4 112.0 94.2 28.2 70.9 8 10 A Y E >> S-F 12 0B 80 4,-3.2 3,-2.3 -2,-0.7 4,-1.6 -0.867 70.1 -37.7-101.3 112.8 93.6 25.7 68.2 9 11 A M T 34 S- 0 0 98 -2,-0.7 -1,-0.2 1,-0.3 4,-0.1 0.685 100.7 -78.1 48.1 24.4 93.1 27.1 64.7 10 12 A D T 34 S+ 0 0 27 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.554 127.3 82.3 67.1 6.2 91.2 30.1 66.1 11 13 A T T <4 S+ 0 0 18 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.547 87.1 44.5-116.9 -12.9 88.1 27.9 66.4 12 14 A Q E < -F 8 0B 28 -4,-1.6 -4,-3.2 211,-0.1 2,-0.5 -0.988 55.8-176.7-138.7 127.5 88.7 26.1 69.7 13 15 A Y E +F 7 0B 6 -2,-0.4 2,-0.3 -6,-0.2 17,-0.3 -0.987 19.2 159.5-123.4 121.8 90.0 27.5 73.0 14 16 A Y E -F 6 0B 21 -8,-1.8 -8,-3.4 -2,-0.5 15,-0.2 -0.982 18.6-168.7-143.9 155.1 90.6 25.0 75.9 15 17 A G E -G 28 0C 3 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.692 31.0 -90.3-129.3-178.0 92.5 24.8 79.2 16 18 A E E +G 27 0C 109 -12,-0.5 77,-0.4 -2,-0.2 2,-0.3 -0.745 33.4 173.8-106.5 150.0 93.3 22.0 81.6 17 19 A I E -G 26 0C 6 9,-1.7 9,-1.7 -2,-0.3 2,-0.4 -0.928 22.3-132.2-140.8 162.4 91.5 20.6 84.7 18 20 A G E -GH 25 91C 8 73,-1.7 73,-2.8 -2,-0.3 2,-0.4 -0.973 17.1-166.3-123.5 135.0 92.2 17.6 87.0 19 21 A I E > -GH 24 90C 0 5,-2.7 5,-2.2 -2,-0.4 71,-0.2 -0.961 45.8 -10.4-124.3 137.2 89.6 15.1 88.2 20 22 A G T 5S- 0 0 3 69,-1.9 42,-0.1 -2,-0.4 4,-0.1 0.005 91.7 -36.5 76.8 178.3 89.8 12.5 90.9 21 23 A T T 5S+ 0 0 51 2,-0.1 42,-2.2 -3,-0.0 43,-0.3 -0.985 133.5 26.5-127.4 116.3 92.6 11.1 93.1 22 24 A P T 5S- 0 0 92 0, 0.0 42,-0.1 0, 0.0 -3,-0.1 0.660 119.7-100.6 -68.8 168.2 95.2 10.9 91.8 23 25 A P T 5 - 0 0 94 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.336 30.2-155.9 -63.1 134.9 94.3 13.7 89.3 24 26 A Q E < -G 19 0C 30 -5,-2.2 -5,-2.7 -4,-0.1 2,-0.2 -0.975 22.4-134.1-109.9 120.1 93.2 12.5 85.9 25 27 A T E +G 18 0C 54 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.474 27.0 176.5 -80.2 146.6 93.9 15.3 83.4 26 28 A F E -G 17 0C 1 -9,-1.7 -9,-1.7 -2,-0.2 2,-0.5 -0.996 29.7-128.8-149.1 144.0 91.5 16.6 80.7 27 29 A K E +G 16 0C 74 -2,-0.3 91,-2.8 -11,-0.2 92,-2.2 -0.825 41.1 176.6 -91.6 128.4 91.4 19.4 78.1 28 30 A V E -Gi 15 119C 0 -13,-2.9 -13,-2.4 -2,-0.5 2,-0.5 -0.980 31.7-127.5-138.8 150.2 88.1 21.4 78.4 29 31 A V E - i 0 120C 12 90,-1.8 92,-2.4 -2,-0.3 2,-0.9 -0.813 22.0-136.6 -95.0 124.7 86.3 24.4 77.0 30 32 A F E - i 0 121C 4 -2,-0.5 2,-0.5 -17,-0.3 92,-0.2 -0.751 33.3-168.6 -83.0 111.6 85.1 27.0 79.5 31 33 A D E > - i 0 122C 9 90,-2.1 92,-3.5 -2,-0.9 3,-1.1 -0.916 32.6-175.7-114.5 112.6 81.7 27.6 78.1 32 34 A T T 3 S+ 0 0 5 -2,-0.5 162,-0.4 1,-0.2 93,-0.2 0.510 86.0 71.1 -79.4 -3.8 79.4 30.4 79.1 33 35 A G T 3 S+ 0 0 38 91,-0.1 2,-0.3 160,-0.1 -1,-0.2 0.443 103.6 34.5 -91.4 -0.5 76.8 28.9 76.8 34 36 A S < - 0 0 17 -3,-1.1 90,-2.2 87,-0.1 89,-0.6 -0.905 60.8-149.3-143.6 171.4 76.2 25.9 79.0 35 37 A S + 0 0 5 93,-0.4 2,-0.2 -2,-0.3 101,-0.2 0.370 65.7 84.1-128.0 3.5 76.0 25.1 82.7 36 38 A N - 0 0 8 92,-0.1 86,-2.0 99,-0.1 2,-0.4 -0.685 62.8-135.6-108.2 163.9 77.1 21.4 83.1 37 39 A V E +J 121 0C 3 63,-0.3 65,-3.5 -2,-0.2 2,-0.3 -0.925 31.7 159.3-114.9 139.7 80.5 19.8 83.3 38 40 A W E +Jk 120 102C 0 82,-2.3 82,-2.0 -2,-0.4 65,-0.2 -0.982 16.8 179.0-159.6 150.7 81.4 16.6 81.4 39 41 A V E - k 0 103C 0 63,-1.7 65,-2.1 -2,-0.3 80,-0.1 -0.928 47.9 -77.2-143.2 160.8 84.4 14.6 80.2 40 42 A P E - k 0 104C 0 0, 0.0 17,-3.0 0, 0.0 2,-0.3 -0.342 48.8-129.1 -63.8 143.8 84.5 11.3 78.2 41 43 A S B > -n 57 0D 0 63,-2.8 3,-2.1 15,-0.3 17,-0.2 -0.699 11.7-135.2 -97.8 146.3 83.9 8.1 80.3 42 44 A S T 3 S+ 0 0 29 15,-2.2 16,-0.1 -2,-0.3 -1,-0.1 0.695 110.9 65.1 -66.2 -15.4 86.0 5.0 80.4 43 45 A K T 3 S+ 0 0 140 14,-0.3 2,-0.6 61,-0.1 -1,-0.3 0.301 74.2 116.1 -89.5 9.8 82.6 3.4 80.1 44 46 A a S < S- 0 0 1 -3,-2.1 62,-0.1 60,-0.2 61,-0.1 -0.718 77.3-110.9 -83.8 120.3 82.1 4.9 76.6 45 47 A S > - 0 0 54 60,-0.6 3,-2.3 -2,-0.6 6,-0.3 -0.180 16.2-132.6 -48.2 132.8 81.8 2.1 74.1 46 48 A R T 3 S+ 0 0 139 1,-0.3 -1,-0.2 5,-0.1 6,-0.2 0.570 101.1 82.6 -68.1 -4.5 84.9 2.0 71.9 47 49 A L T 3 S+ 0 0 156 1,-0.2 2,-1.2 2,-0.1 -1,-0.3 0.735 76.0 77.2 -68.8 -22.0 82.4 1.8 69.0 48 50 A Y S X> S- 0 0 76 -3,-2.3 3,-2.5 1,-0.2 4,-0.8 -0.780 75.6-163.1 -87.7 93.7 82.3 5.6 69.4 49 51 A T H >> S+ 0 0 70 -2,-1.2 4,-1.0 1,-0.3 3,-0.5 0.762 84.5 69.1 -51.2 -27.7 85.6 6.3 67.7 50 52 A A H 34 S+ 0 0 0 57,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.820 97.2 51.1 -62.7 -29.7 85.5 9.7 69.3 51 53 A a H X4 S+ 0 0 1 -3,-2.5 3,-0.7 -6,-0.3 -1,-0.3 0.734 102.5 59.9 -78.8 -21.5 86.1 8.0 72.7 52 54 A V H << S+ 0 0 80 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.753 107.3 47.7 -74.5 -23.5 89.0 6.2 71.2 53 55 A Y T 3< S+ 0 0 162 -4,-1.0 2,-0.3 -3,-0.2 -1,-0.2 0.189 106.5 62.1-103.3 14.1 90.6 9.6 70.5 54 56 A H S < S- 0 0 25 -3,-0.7 2,-0.3 64,-0.0 64,-0.1 -0.914 89.6 -88.2-136.5 164.9 90.1 11.4 73.8 55 57 A K - 0 0 83 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.543 44.7-149.9 -71.2 132.5 91.1 11.2 77.5 56 58 A L - 0 0 28 -2,-0.3 2,-0.6 -17,-0.1 -15,-0.3 -0.884 9.6-127.6-109.6 138.3 88.6 9.0 79.4 57 59 A F B -n 41 0D 0 -17,-3.0 -15,-2.2 -2,-0.4 2,-0.8 -0.722 19.9-161.4 -85.5 120.5 87.7 9.3 83.1 58 60 A D > - 0 0 48 -2,-0.6 3,-1.6 1,-0.2 4,-0.2 -0.874 7.8-168.3-106.5 106.0 88.1 6.0 85.0 59 61 A A G > S+ 0 0 14 -2,-0.8 3,-2.5 1,-0.3 6,-0.3 0.892 84.6 65.0 -57.1 -42.1 86.2 6.1 88.2 60 62 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.1 3,-0.0 0.363 98.9 53.9 -68.0 9.6 87.9 2.9 89.5 61 63 A D G < S+ 0 0 100 -3,-1.6 2,-0.5 -39,-0.1 -1,-0.3 0.319 94.6 83.4-119.0 0.1 91.2 4.7 89.5 62 64 A S X - 0 0 12 -3,-2.5 3,-0.7 -4,-0.2 -42,-0.1 -0.928 54.6-169.1-110.8 121.0 89.9 7.5 91.7 63 65 A S T 3 S+ 0 0 106 -42,-2.2 -1,-0.1 -2,-0.5 -3,-0.1 0.502 91.3 55.1 -83.6 -3.4 89.8 7.0 95.5 64 66 A S T 3 S+ 0 0 20 -43,-0.3 -1,-0.2 -5,-0.1 -44,-0.1 0.379 79.7 127.1-106.8 1.0 87.7 10.2 95.8 65 67 A Y < - 0 0 63 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.277 40.8-164.0 -63.0 141.3 85.0 9.1 93.4 66 68 A K E -L 87 0C 118 21,-2.7 21,-2.0 0, 0.0 -1,-0.0 -0.941 16.6-134.3-132.2 109.3 81.4 9.3 94.6 67 69 A H E +L 86 0C 135 -2,-0.4 19,-0.1 19,-0.2 21,-0.0 -0.137 39.5 148.3 -61.2 152.3 78.8 7.3 92.5 68 70 A N E - 0 0 68 17,-0.5 18,-0.2 2,-0.0 -1,-0.1 0.296 25.0-164.8-145.9 -58.6 75.4 8.7 91.5 69 71 A G E + 0 0 29 16,-2.4 2,-0.1 1,-0.2 17,-0.1 0.382 28.9 150.3 82.5 -4.3 74.4 7.2 88.1 70 72 A T E - 0 0 80 15,-0.2 15,-2.9 14,-0.1 -1,-0.2 -0.412 44.4-122.0 -65.8 134.7 71.6 9.6 87.1 71 73 A E E +L 84 0C 166 13,-0.3 2,-0.3 -2,-0.1 13,-0.3 -0.438 34.0 173.0 -80.7 149.1 71.3 9.9 83.4 72 74 A L E -L 83 0C 14 11,-2.1 11,-2.3 -2,-0.1 2,-0.4 -0.995 20.9-153.7-152.6 154.1 71.6 13.2 81.4 73 75 A T E -L 82 0C 60 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.997 11.5-156.9-131.5 124.7 71.8 14.4 77.8 74 76 A L E -L 81 0C 8 7,-2.4 7,-2.0 -2,-0.4 2,-0.5 -0.900 8.4-162.2-105.3 129.7 73.5 17.6 76.9 75 77 A R E +L 80 0C 206 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.947 10.2 178.0-117.9 122.8 72.4 19.4 73.7 76 78 A Y E > -L 79 0C 55 3,-2.8 3,-0.9 -2,-0.5 -42,-0.0 -0.705 46.5-103.0-110.2 167.2 74.5 22.0 71.9 77 79 A S T 3 S+ 0 0 81 -2,-0.3 3,-0.1 1,-0.2 220,-0.1 0.693 120.8 35.1 -65.5 -15.9 73.4 23.6 68.6 78 80 A T T 3 S- 0 0 98 1,-0.3 2,-0.3 33,-0.0 -1,-0.2 0.334 126.2 -6.3-120.6 5.3 76.0 21.5 66.8 79 81 A G E < -L 76 0C 14 -3,-0.9 -3,-2.8 32,-0.1 2,-0.3 -0.935 55.1-125.1 173.3 164.3 75.9 18.2 68.6 80 82 A T E -L 75 0C 57 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.948 12.5-170.5-131.5 148.9 74.8 16.0 71.5 81 83 A V E -L 74 0C 2 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.3 -0.965 9.0-166.1-133.3 150.6 76.5 13.9 74.2 82 84 A S E +LM 73 106C 24 24,-1.8 23,-2.7 -2,-0.3 24,-1.8 -0.984 26.5 105.1-141.7 150.5 74.9 11.5 76.7 83 85 A G E -LM 72 104C 4 -11,-2.3 -11,-2.1 -2,-0.3 2,-0.3 -0.853 54.9 -69.1-179.3-142.9 75.9 9.7 79.9 84 86 A F E -LM 71 103C 18 19,-1.6 19,-3.7 -13,-0.3 -13,-0.3 -0.945 42.7 -96.3-141.4 161.6 75.3 9.7 83.6 85 87 A L E + M 0 102C 10 -15,-2.9 -16,-2.4 -2,-0.3 -17,-0.5 -0.497 37.9 169.4 -82.8 147.1 76.3 11.8 86.6 86 88 A S E -LM 67 101C 0 15,-2.6 15,-3.8 -18,-0.2 2,-0.4 -0.961 21.6-137.2-149.6 158.2 79.3 11.3 89.0 87 89 A Q E +LM 66 100C 64 -21,-2.0 -21,-2.7 -2,-0.3 2,-0.3 -0.946 35.0 133.2-124.1 144.4 81.0 13.3 91.7 88 90 A D E - 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