==== 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 14-FEB-06 2G1S . 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) . 30008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 81 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 9.9 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 1 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 . 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 . 6 10 4 9 7 3 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 . 1 1 2 0 2 0 1 1 0 0 0 0 0 1 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 61 0, 0.0 170,-4.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 144.0 93.6 31.8 89.7 2 4 A S E -A 170 0A 63 168,-0.3 2,-0.4 91,-0.1 168,-0.2 -0.923 360.0-156.0-125.2 150.6 94.4 31.7 86.1 3 5 A V E -A 169 0A 11 166,-2.0 166,-1.6 -2,-0.3 2,-0.3 -0.992 21.2-125.4-125.6 132.8 94.6 28.8 83.6 4 6 A I E -A 168 0A 110 -2,-0.4 12,-0.5 164,-0.2 2,-0.4 -0.591 28.6-151.9 -75.3 136.6 96.7 28.9 80.5 5 7 A L E -A 167 0A 2 162,-3.4 162,-1.3 -2,-0.3 161,-0.8 -0.878 6.4-135.7-113.5 146.9 94.6 28.1 77.4 6 8 A T E -F 14 0B 71 8,-3.2 8,-1.7 -2,-0.4 2,-0.6 -0.828 15.1-144.4 -98.4 135.3 95.7 26.5 74.1 7 9 A N E -F 13 0B 20 -2,-0.4 2,-0.6 6,-0.2 152,-0.3 -0.898 12.3-167.1-104.3 118.9 94.5 28.1 70.9 8 10 A Y E >> -F 12 0B 82 4,-3.2 3,-2.4 -2,-0.6 4,-1.8 -0.917 69.7 -39.5-109.9 110.5 93.8 25.7 68.1 9 11 A M T 34 S- 0 0 96 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.715 101.2 -76.4 47.4 28.9 93.3 27.3 64.7 10 12 A D T 34 S+ 0 0 27 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.587 128.0 79.9 64.5 8.1 91.3 30.1 66.2 11 13 A T T <4 S+ 0 0 21 -3,-2.4 2,-0.4 1,-0.3 -2,-0.2 0.578 86.8 48.9-119.1 -15.4 88.3 27.9 66.6 12 14 A Q E < +F 8 0B 24 -4,-1.8 -4,-3.2 211,-0.1 2,-0.5 -0.984 55.4 178.7-132.3 124.4 89.1 25.9 69.8 13 15 A Y E +F 7 0B 6 -2,-0.4 17,-0.4 -6,-0.2 2,-0.3 -0.989 17.9 157.9-123.9 123.5 90.3 27.3 73.1 14 16 A Y E -F 6 0B 15 -8,-1.7 -8,-3.2 -2,-0.5 2,-0.2 -0.990 20.5-165.5-147.7 155.9 90.9 24.9 76.0 15 17 A G E -G 28 0C 4 13,-2.4 13,-2.6 -2,-0.3 2,-0.3 -0.763 31.6 -90.9-130.1 176.4 92.8 24.5 79.3 16 18 A E E +G 27 0C 109 -12,-0.5 77,-0.5 -2,-0.2 2,-0.3 -0.645 33.8 177.5 -95.8 149.4 93.7 21.6 81.7 17 19 A I E -G 26 0C 4 9,-1.5 9,-1.7 -2,-0.3 2,-0.4 -0.987 21.4-134.1-144.3 147.2 91.8 20.3 84.7 18 20 A G E -GH 25 91C 5 73,-1.7 73,-3.2 -2,-0.3 2,-0.4 -0.879 18.5-171.5-106.6 136.0 92.5 17.5 87.0 19 21 A I E > -GH 24 90C 0 5,-2.2 5,-2.0 -2,-0.4 71,-0.2 -0.989 46.6 -3.9-129.0 128.5 89.9 15.0 88.1 20 22 A G T 5S- 0 0 2 69,-2.3 42,-0.1 -2,-0.4 68,-0.1 -0.249 89.6 -45.4 92.9 179.7 90.3 12.3 90.7 21 23 A T T 5S+ 0 0 51 1,-0.1 42,-2.6 2,-0.1 43,-0.3 -0.960 133.4 28.1-138.6 111.0 93.0 11.0 93.0 22 24 A P T 5S- 0 0 91 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.653 120.3-104.3 -66.7 166.4 95.6 10.6 91.6 23 25 A P T 5 - 0 0 90 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.388 28.5-158.4 -66.2 131.7 94.7 13.4 89.1 24 26 A Q E < -G 19 0C 27 -5,-2.0 -5,-2.2 -2,-0.1 2,-0.2 -0.965 23.6-134.0-107.8 124.1 93.6 12.2 85.6 25 27 A T E +G 18 0C 58 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.569 25.6 179.4 -89.1 146.5 94.1 15.2 83.2 26 28 A F E -G 17 0C 2 -9,-1.7 -9,-1.5 -2,-0.2 2,-0.5 -0.995 28.1-130.7-143.0 146.2 91.7 16.5 80.6 27 29 A K E +G 16 0C 78 -2,-0.3 91,-2.7 -11,-0.2 92,-2.2 -0.855 40.1 174.7 -93.5 128.1 91.7 19.2 78.0 28 30 A V E -Gi 15 119C 0 -13,-2.6 -13,-2.4 -2,-0.5 2,-0.4 -0.991 31.8-126.8-139.6 148.3 88.4 21.1 78.4 29 31 A V E - i 0 120C 14 90,-1.8 92,-2.7 -2,-0.3 2,-1.0 -0.759 24.5-131.6 -90.4 133.9 86.7 24.2 76.9 30 32 A F E - i 0 121C 4 -2,-0.4 2,-0.7 -17,-0.4 92,-0.2 -0.805 31.9-165.3 -90.4 107.7 85.5 26.8 79.4 31 33 A D E > - i 0 122C 9 90,-1.9 92,-2.6 -2,-1.0 3,-1.7 -0.834 30.7-179.2-106.7 102.3 82.0 27.4 78.2 32 34 A T T 3 S+ 0 0 3 -2,-0.7 162,-0.4 1,-0.3 93,-0.2 0.633 86.9 68.7 -68.4 -11.4 79.9 30.4 79.3 33 35 A G T 3 S+ 0 0 35 91,-0.1 -1,-0.3 160,-0.1 2,-0.3 0.454 104.2 35.3 -87.4 -2.5 77.3 28.9 77.0 34 36 A S < - 0 0 16 -3,-1.7 90,-2.9 87,-0.1 89,-0.4 -0.863 61.8-147.8-140.0 174.9 76.6 25.8 79.1 35 37 A S + 0 0 5 93,-0.3 2,-0.2 -2,-0.3 101,-0.2 0.410 65.3 83.5-129.6 1.5 76.4 24.9 82.8 36 38 A N - 0 0 8 92,-0.1 86,-2.1 99,-0.1 2,-0.4 -0.656 62.2-136.8-107.2 164.4 77.6 21.3 83.2 37 39 A V E +J 121 0C 3 63,-0.3 65,-3.3 84,-0.2 2,-0.3 -0.963 32.4 158.9-117.9 134.0 81.0 19.6 83.4 38 40 A W E -Jk 120 102C 0 82,-2.2 82,-2.2 -2,-0.4 65,-0.2 -0.989 17.2-179.2-155.6 150.6 81.8 16.5 81.5 39 41 A V E - k 0 103C 0 63,-1.7 65,-2.4 -2,-0.3 80,-0.1 -0.917 47.3 -78.1-141.0 160.6 84.7 14.5 80.2 40 42 A P E - k 0 104C 0 0, 0.0 17,-3.0 0, 0.0 2,-0.3 -0.329 50.4-129.8 -61.9 145.5 84.8 11.3 78.1 41 43 A S B > -n 57 0D 0 63,-2.5 3,-2.6 15,-0.2 17,-0.2 -0.788 12.3-134.2-105.3 144.1 84.2 8.1 80.2 42 44 A S T 3 S+ 0 0 29 15,-3.1 16,-0.1 -2,-0.3 -1,-0.1 0.672 110.8 64.0 -62.6 -15.7 86.3 4.9 80.4 43 45 A K T 3 S+ 0 0 139 14,-0.3 2,-0.6 61,-0.1 -1,-0.3 0.417 75.4 115.7 -87.2 0.2 82.8 3.2 80.1 44 46 A a S < S- 0 0 2 -3,-2.6 62,-0.1 60,-0.2 61,-0.1 -0.620 76.8-114.5 -75.5 118.1 82.4 4.8 76.6 45 47 A S > - 0 0 56 -2,-0.6 3,-2.3 60,-0.6 6,-0.3 -0.233 14.0-133.0 -50.8 131.8 82.2 1.9 74.1 46 48 A R T 3 S+ 0 0 139 1,-0.3 -1,-0.2 5,-0.1 6,-0.2 0.500 99.7 84.9 -68.7 -0.3 85.2 2.1 71.8 47 49 A L T 3 S+ 0 0 156 1,-0.1 2,-1.1 4,-0.1 -1,-0.3 0.766 76.4 75.8 -69.7 -23.5 82.7 1.7 69.0 48 50 A Y S X> S- 0 0 76 -3,-2.3 3,-2.1 1,-0.2 4,-0.8 -0.781 78.2-159.5 -87.2 99.0 82.5 5.5 69.4 49 51 A T H >> S+ 0 0 67 -2,-1.1 4,-1.3 1,-0.3 3,-1.1 0.832 86.3 67.3 -51.3 -35.3 85.7 6.4 67.6 50 52 A A H 34 S+ 0 0 0 57,-0.5 -1,-0.3 1,-0.3 3,-0.1 0.835 98.5 53.7 -55.3 -31.6 85.8 9.8 69.4 51 53 A a H X4 S+ 0 0 1 -3,-2.1 3,-0.7 -6,-0.3 -1,-0.3 0.781 102.3 56.0 -74.6 -25.8 86.3 7.8 72.6 52 54 A V H << S+ 0 0 80 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.758 110.3 48.4 -75.2 -24.0 89.3 6.0 71.1 53 55 A Y T 3< S+ 0 0 161 -4,-1.3 2,-0.3 -3,-0.1 -1,-0.2 0.262 105.2 63.2-101.3 10.9 90.8 9.5 70.4 54 56 A H S < S- 0 0 23 -3,-0.7 2,-0.1 -4,-0.1 64,-0.1 -0.928 89.1 -90.9-134.9 161.1 90.4 11.2 73.7 55 57 A K - 0 0 86 -2,-0.3 2,-0.5 -28,-0.1 -2,-0.1 -0.455 45.3-147.3 -64.4 136.5 91.5 11.0 77.3 56 58 A L - 0 0 31 -2,-0.1 2,-0.4 -17,-0.1 -15,-0.2 -0.935 7.1-131.1-115.4 130.4 89.0 8.8 79.3 57 59 A F B -n 41 0D 0 -17,-3.0 -15,-3.1 -2,-0.5 2,-0.6 -0.619 21.8-163.5 -77.2 129.8 88.1 9.2 82.9 58 60 A D > - 0 0 48 -2,-0.4 3,-1.3 -17,-0.2 4,-0.1 -0.949 11.0-166.3-119.9 112.6 88.3 6.0 84.8 59 61 A A G > S+ 0 0 16 -2,-0.6 3,-2.5 1,-0.3 6,-0.3 0.871 84.1 67.9 -62.5 -40.1 86.5 5.8 88.1 60 62 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.1 3,-0.0 0.556 99.9 52.8 -61.0 -5.5 88.2 2.6 89.2 61 63 A D G < S+ 0 0 105 -3,-1.3 2,-0.5 -39,-0.0 -1,-0.3 0.381 93.6 82.7-109.1 -0.1 91.5 4.5 89.4 62 64 A S X - 0 0 13 -3,-2.5 3,-0.6 -4,-0.1 -42,-0.1 -0.928 54.3-167.3-111.5 123.4 90.3 7.3 91.6 63 65 A S T 3 S+ 0 0 105 -42,-2.6 -1,-0.1 -2,-0.5 -3,-0.1 0.461 91.1 54.1 -84.6 -0.2 90.2 6.9 95.4 64 66 A S T 3 S+ 0 0 25 -43,-0.3 -1,-0.2 -42,-0.1 -44,-0.1 0.406 80.3 124.7-110.4 -1.9 88.1 10.0 95.8 65 67 A Y < - 0 0 62 -3,-0.6 2,-0.4 -6,-0.3 23,-0.2 -0.237 43.1-160.4 -61.6 144.3 85.4 9.1 93.3 66 68 A K E -L 87 0C 121 21,-2.9 21,-2.2 0, 0.0 -1,-0.0 -0.967 15.8-133.5-130.4 115.2 81.7 9.1 94.5 67 69 A H E +L 86 0C 139 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.248 42.0 144.1 -66.3 151.9 79.2 7.1 92.5 68 70 A N E - 0 0 64 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.248 26.7-166.0-148.4 -59.9 75.8 8.6 91.5 69 71 A G E + 0 0 28 16,-2.6 2,-0.2 1,-0.2 17,-0.1 0.457 24.8 155.1 80.4 1.4 74.9 7.3 88.0 70 72 A T E - 0 0 79 14,-0.1 15,-2.3 1,-0.1 -1,-0.2 -0.442 43.9-121.8 -65.2 131.7 72.0 9.6 87.1 71 73 A E E +L 84 0C 173 13,-0.3 2,-0.3 -2,-0.2 13,-0.3 -0.509 35.0 176.7 -78.2 141.5 71.8 9.8 83.3 72 74 A L E -L 83 0C 13 11,-2.2 11,-2.4 -2,-0.2 2,-0.4 -0.982 19.3-153.4-142.9 153.7 72.1 13.1 81.5 73 75 A T E -L 82 0C 60 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.996 10.5-154.7-128.7 130.2 72.1 14.3 77.9 74 76 A L E -L 81 0C 7 7,-3.4 7,-1.9 -2,-0.4 2,-0.6 -0.936 6.7-164.0-111.2 122.0 73.9 17.5 76.9 75 77 A R E +L 80 0C 208 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.898 10.2 177.0-111.2 111.2 72.7 19.3 73.8 76 78 A Y E > -L 79 0C 54 3,-2.7 3,-0.8 -2,-0.6 -42,-0.0 -0.623 46.1-103.1-102.2 166.9 74.9 21.9 72.2 77 79 A S T 3 S+ 0 0 82 1,-0.2 220,-0.1 -2,-0.2 3,-0.1 0.738 120.6 32.1 -62.5 -21.8 74.1 23.8 69.0 78 80 A T T 3 S- 0 0 99 1,-0.3 2,-0.3 33,-0.0 -1,-0.2 0.346 127.4 -6.0-120.7 9.9 76.5 21.6 67.1 79 81 A G E < -L 76 0C 15 -3,-0.8 -3,-2.7 32,-0.1 2,-0.3 -0.917 56.2-123.7 171.3 162.9 76.4 18.2 68.8 80 82 A T E -L 75 0C 55 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.869 13.9-170.3-125.6 155.9 75.2 16.1 71.6 81 83 A V E -L 74 0C 1 -7,-1.9 -7,-3.4 -2,-0.3 2,-0.3 -0.993 7.4-163.9-144.7 143.0 76.7 13.9 74.3 82 84 A S E +LM 73 106C 22 24,-1.8 23,-2.5 -2,-0.3 24,-1.6 -0.908 27.2 107.1-130.0 156.0 75.2 11.5 76.7 83 85 A G E -LM 72 104C 5 -11,-2.4 -11,-2.2 -2,-0.3 2,-0.3 -0.926 52.8 -71.4 175.8-148.9 76.2 9.7 79.9 84 86 A F E -LM 71 103C 19 19,-1.7 19,-3.2 -13,-0.3 -13,-0.3 -0.929 42.0 -97.3-138.4 162.9 75.8 9.6 83.7 85 87 A L E + M 0 102C 9 -15,-2.3 -16,-2.6 -2,-0.3 -17,-0.6 -0.496 38.0 167.8 -84.4 150.5 76.7 11.6 86.7 86 88 A S E -LM 67 101C 0 15,-2.3 15,-3.1 -18,-0.2 2,-0.4 -0.964 22.0-138.1-153.1 157.3 79.8 11.1 89.0 87 89 A Q E +LM 66 100C 63 -21,-2.2 -21,-2.9 -2,-0.3 2,-0.3 -0.950 34.8 133.1-125.3 143.8 81.5 13.1 91.7 88 90 A D E - 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