==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-AUG-12 4GJD . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,F.ZINK,M.KROEMER . 672 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28400.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 30.4 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 . 66 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 8.2 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 2 2 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 . 4 8 4 5 9 4 2 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 . 2 2 1 1 2 0 3 0 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 -4 A T 0 0 146 0, 0.0 2,-0.3 0, 0.0 149,-0.3 0.000 360.0 360.0 360.0 134.3 46.5 137.4 0.3 2 -3 A L + 0 0 76 148,-0.1 151,-0.2 149,-0.1 149,-0.1 -0.928 360.0 177.8-120.7 144.6 49.4 135.6 -1.3 3 -2 A G - 0 0 33 149,-2.4 149,-0.2 -2,-0.3 148,-0.2 -0.004 42.2 -99.7-113.5-139.9 53.2 135.9 -0.7 4 -1 A N S S+ 0 0 113 147,-0.8 149,-0.3 -2,-0.1 148,-0.2 0.483 75.6 120.2-127.4 -11.2 56.2 134.1 -2.1 5 0 A T B +a 152 0A 68 146,-2.1 148,-2.4 147,-0.1 2,-0.3 -0.271 32.8 178.3 -66.7 135.8 56.9 131.6 0.7 6 1 A T - 0 0 80 146,-0.2 2,-0.4 147,-0.1 169,-0.2 -0.944 12.3-166.5-125.0 144.1 56.9 127.8 0.4 7 2 A S E -B 174 0B 12 167,-2.3 167,-3.5 -2,-0.3 2,-0.3 -0.984 2.4-154.7-133.9 146.7 57.7 125.8 3.5 8 3 A S E -B 173 0B 54 91,-0.4 2,-0.5 -2,-0.4 165,-0.2 -0.938 7.1-156.8-126.2 148.8 58.6 122.1 3.8 9 4 A V E -B 172 0B 9 163,-2.3 163,-2.1 -2,-0.3 2,-0.3 -0.992 20.0-136.3-121.9 121.5 58.3 119.5 6.6 10 5 A I E -B 171 0B 102 -2,-0.5 12,-0.5 161,-0.2 2,-0.3 -0.634 25.5-149.6 -74.9 130.9 60.6 116.5 6.4 11 6 A L E -B 170 0B 3 159,-2.4 158,-1.3 -2,-0.3 159,-0.9 -0.739 6.8-136.1-105.6 154.4 58.6 113.2 7.3 12 7 A T E -G 20 0C 68 8,-3.0 8,-1.7 -2,-0.3 2,-0.7 -0.899 15.4-142.8-104.5 133.2 59.8 110.0 8.9 13 8 A N E -G 19 0C 21 -2,-0.4 2,-0.8 6,-0.2 6,-0.2 -0.885 12.7-165.7-101.5 109.5 58.5 106.7 7.4 14 9 A Y E >> S-G 18 0C 80 4,-3.6 4,-2.4 -2,-0.7 3,-2.1 -0.872 70.8 -41.2 -98.2 107.5 57.7 104.1 10.0 15 10 A M T 34 S- 0 0 99 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.627 100.5 -73.5 52.9 24.7 57.4 100.6 8.4 16 11 A D T 34 S+ 0 0 18 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.485 130.7 81.4 68.8 5.3 55.4 102.0 5.3 17 12 A T T <4 S+ 0 0 18 -3,-2.1 2,-0.4 1,-0.3 -2,-0.2 0.662 87.1 41.6-111.7 -27.0 52.5 102.4 7.7 18 13 A Q E < -G 14 0C 29 -4,-2.4 -4,-3.6 2,-0.0 2,-0.5 -0.993 56.3-178.3-130.2 125.7 53.1 105.7 9.7 19 14 A Y E +G 13 0C 8 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.993 19.4 160.3-122.0 121.7 54.4 108.9 8.2 20 15 A Y E -G 12 0C 17 -8,-1.7 -8,-3.0 -2,-0.5 15,-0.2 -0.989 20.2-166.7-144.9 152.0 55.0 111.8 10.6 21 16 A G E -H 34 0D 4 13,-2.5 13,-3.4 -2,-0.3 2,-0.4 -0.591 30.2 -91.7-122.8-173.2 56.8 115.1 10.9 22 17 A E E +H 33 0D 118 -12,-0.5 77,-0.5 11,-0.2 2,-0.3 -0.855 31.4 175.8-113.4 144.5 57.6 117.5 13.7 23 18 A I E -H 32 0D 4 9,-2.0 9,-2.8 -2,-0.4 2,-0.4 -0.929 21.6-136.6-133.3 155.8 55.9 120.6 15.1 24 19 A G E -HI 31 97D 8 73,-1.5 73,-2.4 -2,-0.3 2,-0.5 -0.963 15.5-164.9-114.5 131.5 56.8 122.8 18.1 25 20 A I E > -HI 30 96D 0 5,-2.9 5,-1.8 -2,-0.4 71,-0.2 -0.985 48.6 -2.4-120.3 126.7 54.0 124.0 20.5 26 21 A G T 5S- 0 0 6 69,-2.5 42,-0.1 -2,-0.5 68,-0.1 -0.247 91.6 -41.5 96.9 177.9 54.6 126.9 23.0 27 22 A T T 5S+ 0 0 60 1,-0.2 42,-2.4 2,-0.1 43,-0.2 -0.977 136.2 25.2-124.3 108.8 57.3 129.3 24.2 28 23 A P T 5S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 42,-0.1 0.673 120.3-107.6 -69.6 160.8 59.9 127.7 24.5 29 24 A P T 5 - 0 0 84 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.380 23.9-154.3 -67.3 137.1 58.8 125.1 21.8 30 25 A Q E < -H 25 0D 30 -5,-1.8 -5,-2.9 -2,-0.1 2,-0.3 -0.967 25.1-135.9-104.4 118.2 57.8 121.6 23.1 31 26 A T E -H 24 0D 65 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.662 23.7-175.8 -86.5 140.8 58.3 119.3 20.0 32 27 A F E -H 23 0D 2 -9,-2.8 -9,-2.0 -2,-0.3 2,-0.6 -0.964 28.2-127.6-134.0 147.2 55.9 116.6 18.9 33 28 A K E -H 22 0D 79 -2,-0.3 91,-2.6 -11,-0.2 92,-1.8 -0.869 43.8-176.7 -89.7 119.3 55.9 113.9 16.2 34 29 A V E -Hj 21 125D 0 -13,-3.4 -13,-2.5 -2,-0.6 2,-0.4 -0.958 30.1-130.0-128.1 149.0 52.6 114.4 14.3 35 30 A V E - j 0 126D 15 90,-1.7 92,-3.2 -2,-0.3 2,-0.8 -0.788 21.9-139.0 -91.2 128.9 50.6 112.8 11.4 36 31 A F E - j 0 127D 6 -2,-0.4 2,-0.6 -17,-0.4 92,-0.2 -0.868 29.6-167.4 -94.5 104.6 49.5 115.4 8.7 37 32 A D E > - j 0 128D 14 90,-2.7 92,-3.7 -2,-0.8 3,-1.0 -0.901 30.6-178.4-108.9 110.5 46.0 114.1 8.0 38 33 A T T 3 S+ 0 0 0 -2,-0.6 159,-0.4 91,-0.2 93,-0.2 0.637 86.2 67.6 -76.7 -13.9 43.8 115.3 5.1 39 34 A G T 3 S+ 0 0 22 91,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.336 107.7 33.1 -86.5 3.4 41.0 113.0 6.4 40 35 A S < - 0 0 14 -3,-1.0 90,-2.8 87,-0.1 89,-0.4 -0.943 60.3-149.0-153.6 165.3 40.5 115.2 9.5 41 36 A S + 0 0 3 93,-0.4 2,-0.3 -2,-0.3 101,-0.2 0.347 61.9 97.9-125.5 5.3 40.7 118.9 10.6 42 37 A N - 0 0 10 92,-0.1 86,-0.5 99,-0.1 2,-0.4 -0.796 57.3-144.8-104.0 143.1 41.7 119.0 14.3 43 38 A V + 0 0 5 63,-0.4 65,-2.4 -2,-0.3 2,-0.3 -0.879 32.5 162.9 -98.2 128.6 45.2 119.5 15.8 44 39 A W E +kL 108 126D 1 82,-2.5 82,-2.2 -2,-0.4 65,-0.2 -0.987 17.7 177.5-148.3 150.0 45.8 117.4 19.0 45 40 A V E -k 109 0D 0 63,-1.7 65,-2.3 -2,-0.3 80,-0.1 -0.956 44.9 -87.4-140.9 155.2 48.7 116.2 21.1 46 41 A P E -k 110 0D 0 0, 0.0 17,-3.1 0, 0.0 2,-0.2 -0.356 49.5-127.6 -66.0 147.3 48.8 114.2 24.4 47 42 A S B > -o 63 0E 0 63,-2.6 3,-1.4 15,-0.3 17,-0.2 -0.668 14.4-131.1 -97.7 154.9 48.5 116.4 27.6 48 43 A S T 3 S+ 0 0 25 15,-2.7 16,-0.1 1,-0.3 -1,-0.1 0.721 112.9 64.5 -69.0 -20.7 50.5 116.6 30.8 49 44 A K T 3 S+ 0 0 104 14,-0.4 2,-0.4 2,-0.1 -1,-0.3 0.277 75.7 114.6 -85.6 5.7 47.0 116.4 32.4 50 45 A a S < S- 0 0 4 -3,-1.4 2,-0.1 60,-0.2 62,-0.1 -0.699 76.8-111.8 -80.5 132.7 46.6 112.8 31.0 51 46 A S > - 0 0 59 60,-0.7 3,-2.1 -2,-0.4 6,-0.2 -0.418 15.2-131.3 -64.1 133.9 46.4 110.2 33.8 52 47 A R T 3 S+ 0 0 145 1,-0.3 6,-0.1 -2,-0.1 -1,-0.1 0.467 103.0 78.7 -70.1 0.7 49.4 107.9 33.9 53 47AA L T 3 S+ 0 0 159 4,-0.1 2,-0.8 5,-0.0 -1,-0.3 0.727 76.8 80.9 -77.1 -23.3 46.9 105.0 34.1 54 47BA Y S <> S- 0 0 68 -3,-2.1 4,-0.8 1,-0.2 3,-0.3 -0.791 75.5-161.4 -80.0 105.8 46.6 105.6 30.3 55 48 A T H >> S+ 0 0 66 -2,-0.8 4,-1.4 1,-0.2 3,-0.7 0.853 85.2 64.7 -61.4 -36.7 49.7 103.7 29.4 56 49 A A H 34 S+ 0 0 0 57,-0.5 4,-0.5 1,-0.3 3,-0.4 0.885 99.0 54.4 -52.1 -43.2 49.8 105.5 25.9 57 50 A a H >4 S+ 0 0 2 56,-0.3 3,-0.6 -3,-0.3 -1,-0.3 0.819 104.5 52.9 -64.6 -31.1 50.4 108.8 27.8 58 51 A V H << S+ 0 0 89 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.846 112.0 48.0 -69.4 -33.7 53.4 107.2 29.6 59 52 A Y T 3< S+ 0 0 159 -4,-1.4 2,-0.3 -3,-0.4 -2,-0.2 0.397 108.4 58.2 -90.6 0.0 54.8 106.3 26.0 60 53 A H S < S- 0 0 20 -3,-0.6 2,-0.2 -4,-0.5 64,-0.1 -0.877 89.5 -91.1-131.1 162.1 54.4 109.7 24.3 61 54 A K - 0 0 90 -2,-0.3 2,-0.4 -28,-0.1 -2,-0.1 -0.490 43.9-148.6 -68.7 135.2 55.5 113.3 24.6 62 55 A L - 0 0 34 -2,-0.2 2,-0.5 -17,-0.1 -15,-0.3 -0.926 10.2-125.9-114.0 135.0 53.0 115.4 26.6 63 56 A F B -o 47 0E 0 -17,-3.1 -15,-2.7 -2,-0.4 2,-0.6 -0.680 21.7-163.7 -78.5 125.8 52.1 119.1 26.3 64 57 A D > - 0 0 48 -2,-0.5 3,-1.1 -17,-0.2 4,-0.1 -0.961 9.3-169.3-112.1 108.4 52.6 120.9 29.5 65 58 A A G > S+ 0 0 8 -2,-0.6 3,-1.6 1,-0.2 6,-0.3 0.779 84.1 69.5 -64.9 -30.5 50.8 124.4 29.4 66 59 A S G 3 S+ 0 0 100 1,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.537 98.8 50.2 -65.2 -13.2 52.6 125.4 32.7 67 60 A D G < S+ 0 0 103 -3,-1.1 2,-0.5 -39,-0.0 -1,-0.3 0.308 95.3 86.5-107.0 3.1 55.9 125.5 30.8 68 61 A S < - 0 0 13 -3,-1.6 3,-0.5 1,-0.1 -42,-0.1 -0.928 52.9-168.2-114.1 121.9 54.6 127.7 28.0 69 62 A S S S+ 0 0 106 -42,-2.4 -1,-0.1 -2,-0.5 -4,-0.0 0.610 90.7 52.5 -78.5 -12.9 54.6 131.5 28.3 70 63 A S S S+ 0 0 22 -43,-0.2 -1,-0.2 -42,-0.1 -44,-0.1 0.455 79.7 124.8-101.9 -3.6 52.4 131.9 25.1 71 64 A Y - 0 0 58 -3,-0.5 2,-0.4 -6,-0.3 23,-0.2 -0.264 40.8-164.7 -61.0 137.9 49.6 129.5 26.2 72 65 A K E -M 93 0D 127 21,-3.2 21,-2.2 0, 0.0 -2,-0.0 -0.997 20.3-126.8-127.2 121.7 46.0 130.8 26.2 73 66 A H E +M 92 0D 141 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.276 39.9 153.1 -64.6 146.4 43.4 128.8 28.1 74 67 A N E - 0 0 63 17,-0.7 18,-0.2 2,-0.0 -1,-0.1 0.330 20.3-169.0-134.3 -67.9 40.0 127.6 26.5 75 68 A G E + 0 0 31 16,-3.3 17,-0.1 1,-0.3 -2,-0.0 0.279 24.8 153.5 92.8 -11.3 38.9 124.4 28.3 76 69 A T E - 0 0 78 15,-0.1 15,-2.1 14,-0.1 -1,-0.3 -0.311 48.7-116.1 -54.2 125.9 36.1 123.3 25.9 77 70 A E E -M 90 0D 170 13,-0.2 2,-0.3 31,-0.1 13,-0.2 -0.297 38.2-174.2 -66.2 147.7 35.6 119.5 26.1 78 71 A L E -M 89 0D 12 11,-2.3 11,-2.7 31,-0.1 2,-0.4 -0.986 18.6-168.2-152.4 134.2 36.4 117.7 22.8 79 72 A T E -M 88 0D 51 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.997 11.3-165.7-127.8 129.0 36.1 114.0 21.6 80 73 A L E -M 87 0D 4 7,-2.9 7,-2.5 -2,-0.4 2,-0.4 -0.986 4.9-154.9-124.2 124.6 37.8 113.0 18.3 81 74 A R E +M 86 0D 180 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.867 15.7 172.2-107.4 133.0 37.0 109.7 16.4 82 75 A Y - 0 0 58 3,-2.5 -42,-0.0 -2,-0.4 -2,-0.0 -0.606 47.3 -93.3-125.8-177.3 39.3 107.9 14.1 83 76 A S S S+ 0 0 82 -2,-0.2 217,-0.1 1,-0.2 3,-0.1 0.871 121.7 26.7 -67.4 -40.1 39.3 104.5 12.3 84 77 A T S S- 0 0 99 1,-0.1 2,-0.3 33,-0.0 -1,-0.2 0.453 129.3 -11.7 -98.5 -20.8 41.2 102.6 15.0 85 78 A G - 0 0 14 32,-0.1 -3,-2.5 33,-0.0 2,-0.3 -0.972 56.8-114.1-173.1 176.8 40.4 104.6 18.2 86 79 A T E -M 81 0D 60 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.983 18.7-162.6-134.2 141.9 39.0 107.7 19.9 87 80 A V E -M 80 0D 1 -7,-2.5 -7,-2.9 -2,-0.3 2,-0.3 -0.926 5.6-168.3-123.2 149.7 40.7 110.4 22.0 88 81 A S E +MN 79 112D 22 24,-1.8 24,-2.3 -2,-0.3 23,-2.1 -0.980 26.2 112.1-139.7 149.6 39.1 112.9 24.3 89 82 A G E -MN 78 110D 3 -11,-2.7 -11,-2.3 -2,-0.3 2,-0.3 -0.849 53.7 -71.4-174.9-146.4 40.4 116.1 26.0 90 83 A F E -MN 77 109D 31 19,-2.2 19,-3.5 -13,-0.2 -13,-0.2 -0.953 41.4 -98.0-140.6 155.4 40.0 119.9 26.1 91 84 A L E + N 0 108D 8 -15,-2.1 -16,-3.3 -2,-0.3 -17,-0.7 -0.506 39.2 168.4 -80.7 143.0 40.8 122.9 23.8 92 85 A S E -MN 73 107D 0 15,-3.0 15,-3.1 -18,-0.2 2,-0.4 -0.918 22.4-138.2-143.3 161.1 43.9 125.1 24.3 93 86 A Q E +MN 72 106D 52 -21,-2.2 -21,-3.2 -2,-0.3 2,-0.3 -0.989 34.7 135.2-128.4 139.6 45.6 127.8 22.3 94 87 A D E - N 0 105D 0 11,-2.1 11,-2.7 -2,-0.4 2,-0.4 -0.930 56.9 -72.9-162.9 176.1 49.4 128.4 21.7 95 88 A I E - 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