Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3opx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N HIS 1.A ND1 no hydrogen 2.951 N/A LEU 5.A N LEU 2.A O no hydrogen 3.338 N/A HIS 7.A ND1 PRO 8.A O no hydrogen 3.221 N/A SER 10.A N HIS 7.A O no hydrogen 3.245 N/A SER 10.A OG HIS 7.A O no hydrogen 2.666 N/A LEU 24.A N ASN 21.A O no hydrogen 3.417 N/A LYS 25.A N ASP 128.A OD2 no hydrogen 2.628 N/A VAL 26.A N ASN 191.A O no hydrogen 3.065 N/A PHE 27.A N LYS 129.A O no hydrogen 2.962 N/A PHE 28.A N TYR 193.A O no hydrogen 2.732 N/A PHE 29.A N TRP 131.A O no hydrogen 2.878 N/A ALA 30.A N ILE 195.A O no hydrogen 3.102 N/A CYS 34.A N ILE 31.A O no hydrogen 3.002 N/A CYS 34.A SG.A ALA 30.A O no hydrogen 3.395 N/A CYS 34.A SG.A ILE 195.A O no hydrogen 3.924 N/A CYS 34.A SG.B ASP 197.A OD1 no hydrogen 3.299 N/A LEU 35.A N ILE 31.A O no hydrogen 2.892 N/A TYR 36.A OH ASP 32.A OD1 no hydrogen 2.554 N/A SER 38.A OG GLU 218.A OE1 no hydrogen 2.377 N/A SER 39.A N GLU 218.A OE1 no hydrogen 3.263 N/A SER 39.A OG GLU 218.A OE2 no hydrogen 3.055 N/A THR 40.A N LYS 37.A O no hydrogen 2.943 N/A THR 40.A OG1 LYS 37.A O no hydrogen 2.873 N/A ARG 41.A N SER 38.A O no hydrogen 3.167 N/A ARG 41.A NE ASP 44.A OD2 no hydrogen 3.299 N/A ILE 42.A N THR 40.A OG1 no hydrogen 3.293 N/A LEU 45.A N ARG 41.A O no hydrogen 3.126 N/A MET 46.A N ILE 42.A O no hydrogen 2.888 N/A GLN 47.A N HIS 43.A O no hydrogen 2.920 N/A GLN 48.A N ASP 44.A O no hydrogen 2.932 N/A SER 49.A N LEU 45.A O no hydrogen 3.143 N/A SER 49.A OG LEU 45.A O no hydrogen 3.399 N/A ILE 50.A N MET 46.A O no hydrogen 2.861 N/A LEU 51.A N GLN 47.A O no hydrogen 2.844 N/A ARG 52.A N GLN 48.A O no hydrogen 2.952 N/A PHE 53.A N SER 49.A O no hydrogen 2.937 N/A PHE 54.A N ILE 50.A O no hydrogen 3.032 N/A GLN 55.A N LEU 51.A O no hydrogen 3.080 N/A THR 56.A N ARG 52.A O no hydrogen 2.839 N/A THR 56.A OG1 ARG 52.A O no hydrogen 3.025 N/A THR 56.A OG1 PHE 53.A O no hydrogen 3.514 N/A HIS 57.A N PHE 53.A O no hydrogen 2.733 N/A LEU 58.A N PHE 54.A O no hydrogen 3.033 N/A LYS 59.A NZ THR 56.A O no hydrogen 2.773 N/A ASP 64.A N SER 61.A OG no hydrogen 3.307 N/A ALA 65.A N SER 61.A O no hydrogen 2.900 N/A HIS 66.A N PRO 62.A O no hydrogen 2.984 N/A VAL 67.A N GLU 63.A O no hydrogen 3.211 N/A LEU 68.A N ASP 64.A O no hydrogen 3.024 N/A ASN 69.A N ALA 65.A O no hydrogen 2.868 N/A ASN 70.A N HIS 66.A O no hydrogen 2.909 N/A SER 71.A N VAL 67.A O no hydrogen 2.968 N/A TYR 72.A N LEU 68.A O no hydrogen 2.963 N/A TYR 73.A N ASN 69.A O no hydrogen 2.874 N/A LYS 74.A N ASN 70.A O no hydrogen 2.862 N/A GLU 75.A N SER 71.A O no hydrogen 3.276 N/A TYR 76.A N TYR 72.A O no hydrogen 2.927 N/A GLY 77.A N TYR 73.A O no hydrogen 2.901 N/A ARG 81.A N LEU 78.A O no hydrogen 3.059 N/A LEU 83.A N ALA 79.A O no hydrogen 3.110 N/A VAL 84.A N ILE 80.A O no hydrogen 2.936 N/A MET 85.A N ARG 81.A O no hydrogen 3.240 N/A PHE 86.A N GLY 82.A O no hydrogen 2.881 N/A HIS 87.A N LEU 83.A O no hydrogen 3.109 N/A LYS 88.A NZ MET 85.A O no hydrogen 2.863 N/A VAL 89.A N LEU 83.A O no hydrogen 3.122 N/A GLU 93.A N ASN 90.A OD1 no hydrogen 2.898 N/A TYR 94.A N ASN 90.A O no hydrogen 3.111 N/A ASN 95.A N ALA 91.A O no hydrogen 2.825 N/A ARG 96.A N LEU 92.A O no hydrogen 3.031 N/A ARG 96.A NE GLU 93.A OE2 no hydrogen 2.981 N/A LEU 97.A N GLU 93.A O no hydrogen 3.335 N/A LEU 97.A N TYR 94.A O no hydrogen 2.962 N/A VAL 98.A N TYR 94.A O no hydrogen 2.972 N/A VAL 98.A N ASN 95.A O no hydrogen 3.327 N/A ASP 100.A N ASN 95.A O no hydrogen 3.053 N/A SER 101.A N VAL 98.A O no hydrogen 2.961 N/A SER 101.A OG.A ARG 96.A O no hydrogen 2.786 N/A SER 101.A OG.B LEU 97.A O no hydrogen 2.888 N/A SER 101.A OG.B VAL 98.A O no hydrogen 2.833 N/A LEU 102.A N ASP 99.A O no hydrogen 3.285 N/A GLN 105.A NE2 ASP 106.A OD2 no hydrogen 3.517 N/A ASP 106.A N PRO 103.A O no hydrogen 3.103 N/A ILE 107.A N LEU 104.A O no hydrogen 2.901 N/A LEU 108.A N LEU 104.A O no hydrogen 2.882 N/A ASP 111.A N LEU 148.A O no hydrogen 2.985 N/A LEU 114.A N ASP 111.A OD1 no hydrogen 2.933 N/A ARG 115.A N ASP 111.A O no hydrogen 2.984 N/A ARG 115.A NH1 GLY 149.A O no hydrogen 3.119 N/A ARG 115.A NH1 ASP 152.A OD1 no hydrogen 2.870 N/A ARG 115.A NH2 ASP 152.A OD2 no hydrogen 3.242 N/A ASN 116.A N ILE 112.A O no hydrogen 2.852 N/A MET 117.A N PRO 113.A O no hydrogen 2.947 N/A LEU 118.A N LEU 114.A O no hydrogen 2.993 N/A LEU 119.A N ARG 115.A O no hydrogen 2.914 N/A ARG 120.A N ASN 116.A O no hydrogen 3.024 N/A LEU 121.A N MET 117.A O no hydrogen 3.028 N/A ARG 122.A N LEU 118.A O no hydrogen 2.957 N/A ARG 122.A NH1 LEU 153.A O no hydrogen 2.836 N/A ARG 122.A NH1 ASP 155.A OD2 no hydrogen 2.839 N/A ARG 122.A NH2 ASP 155.A OD1 no hydrogen 2.998 N/A ARG 122.A NH2 ASP 155.A OD2 no hydrogen 3.275 N/A GLN 123.A N LEU 119.A O no hydrogen 3.008 N/A GLN 123.A N ARG 120.A O no hydrogen 3.224 N/A SER 124.A OG LEU 121.A O no hydrogen 3.351 N/A SER 124.A OG LEU 244.A O no hydrogen 2.626 N/A LYS 126.A N SER 124.A OG no hydrogen 3.002 N/A LYS 126.A NZ ASP 243.A O no hydrogen 3.149 N/A LYS 126.A NZ LEU 246.A O no hydrogen 2.745 N/A ASP 128.A N LYS 25.A O no hydrogen 2.883 N/A LYS 129.A N LYS 25.A O no hydrogen 3.102 N/A LYS 129.A NZ GLN 20.A OE1 no hydrogen 2.998 N/A LYS 129.A NZ SER 184.A O no hydrogen 2.939 N/A LEU 130.A N ASP 155.A OD2 no hydrogen 2.926 N/A TRP 131.A N PHE 27.A O no hydrogen 2.904 N/A TRP 131.A NE1 THR 158.A OG1 no hydrogen 2.844 N/A LEU 132.A N GLY 156.A O no hydrogen 2.959 N/A PHE 133.A N PHE 29.A O no hydrogen 2.816 N/A THR 134.A N THR 158.A O no hydrogen 2.942 N/A ASN 135.A ND2 GLY 77.A O no hydrogen 3.643 N/A ASN 135.A ND2 LYS 171.A O no hydrogen 2.838 N/A ALA 136.A N THR 134.A OG1 no hydrogen 3.045 N/A LYS 138.A NZ ASP 17.A OD1 no hydrogen 3.088 N/A ASN 139.A ND2 ASP 100.A OD2 no hydrogen 2.946 N/A ALA 141.A N TYR 137.A O no hydrogen 3.237 N/A ILE 142.A N LYS 138.A O no hydrogen 2.921 N/A ARG 143.A N ASN 139.A O no hydrogen 3.107 N/A ARG 143.A NH1 LEU 102.A O no hydrogen 2.810 N/A ARG 143.A NH1 GLN 105.A OE1 no hydrogen 2.863 N/A ARG 143.A NH2 LEU 102.A O no hydrogen 2.931 N/A CYS 144.A N HIS 140.A O no hydrogen 2.983 N/A CYS 144.A SG HIS 140.A O no hydrogen 3.471 N/A LEU 145.A N ALA 141.A O no hydrogen 3.136 N/A ARG 146.A N ILE 142.A O no hydrogen 2.946 N/A ARG 146.A NE SER 10.A O no hydrogen 2.846 N/A ARG 146.A NH1 GLU 3.A OE2 no hydrogen 3.147 N/A ARG 146.A NH2 GLU 3.A OE1 no hydrogen 3.089 N/A LEU 147.A N ARG 143.A O no hydrogen 3.083 N/A LEU 148.A N CYS 144.A O no hydrogen 3.028 N/A GLY 149.A N ARG 146.A O no hydrogen 3.138 N/A ILE 150.A N LEU 145.A O no hydrogen 3.057 N/A ALA 151.A N GLY 9.A O no hydrogen 2.745 N/A LEU 153.A N ILE 150.A O no hydrogen 3.061 N/A ASP 155.A N LEU 130.A O no hydrogen 2.831 N/A THR 158.A N LEU 132.A O no hydrogen 2.807 N/A THR 158.A OG1 GLU 183.A OE1 no hydrogen 2.635 N/A TYR 159.A OH ASP 17.A OD1 no hydrogen 3.332 N/A TYR 159.A OH ASP 17.A OD2 no hydrogen 2.644 N/A CYS 160.A N ALA 136.A O no hydrogen 3.161 N/A CYS 160.A SG VAL 169.A O no hydrogen 3.373 N/A TYR 162.A OH ASN 135.A O no hydrogen 3.006 N/A SER 163.A N ASP 161.A OD1 no hydrogen 3.054 N/A SER 163.A OG ASP 161.A OD1 no hydrogen 2.783 N/A SER 163.A OG ASP 161.A OD2 no hydrogen 3.086 N/A ARG 164.A N ASP 161.A O no hydrogen 3.374 N/A ARG 164.A NE ASP 166.A OD2 no hydrogen 3.161 N/A ARG 164.A NH2 ASP 166.A OD1 no hydrogen 2.737 N/A ARG 164.A NH2 ASP 166.A OD2 no hydrogen 3.049 N/A THR 167.A N ASP 166.A OD2 no hydrogen 2.719 N/A CYS 170.A SG TYR 76.A O no hydrogen 3.189 N/A CYS 170.A SG LYS 171.A O no hydrogen 3.666 N/A LYS 171.A N ASN 135.A OD1 no hydrogen 2.871 N/A LYS 171.A NZ PHE 133.A O no hydrogen 2.831 N/A LYS 171.A NZ ASP 196.A OD2 no hydrogen 2.963 N/A HIS 173.A N CYS 170.A O no hydrogen 2.919 N/A LYS 175.A N HIS 173.A ND1 no hydrogen 3.017 N/A ALA 176.A N HIS 173.A O no hydrogen 2.963 N/A GLU 178.A N VAL 174.A O no hydrogen 2.938 N/A LYS 179.A N LYS 175.A O no hydrogen 3.083 N/A LYS 179.A NZ.A TYR 159.A O no hydrogen 2.555 N/A LYS 179.A NZ.B GLU 183.A OE2 no hydrogen 2.742 N/A ALA 180.A N ALA 176.A O no hydrogen 3.009 N/A MET 181.A N PHE 177.A O no hydrogen 2.818 N/A LYS 182.A N GLU 178.A O no hydrogen 2.908 N/A GLU 183.A N LYS 179.A O no hydrogen 2.875 N/A SER 184.A N ALA 180.A O no hydrogen 3.043 N/A SER 184.A OG ALA 180.A O no hydrogen 2.855 N/A SER 184.A OG MET 181.A O no hydrogen 3.319 N/A GLY 185.A N LYS 182.A O no hydrogen 3.345 N/A LEU 186.A N MET 181.A O no hydrogen 3.028 N/A ASN 191.A N ARG 188.A O no hydrogen 3.239 N/A ALA 192.A N TYR 189.A O no hydrogen 2.826 N/A TYR 193.A N VAL 26.A O no hydrogen 2.925 N/A PHE 194.A N THR 212.A O no hydrogen 3.107 N/A ILE 195.A N PHE 28.A O no hydrogen 3.043 N/A ASP 196.A N ILE 214.A O no hydrogen 3.172 N/A ASP 197.A N ASP 197.A OD1 no hydrogen 2.667 N/A SER 198.A N ASP 196.A OD1 no hydrogen 2.821 N/A LYS 200.A NZ GLU 203.A OE1 no hydrogen 3.067 N/A ASN 201.A N SER 198.A OG no hydrogen 3.123 N/A ASN 201.A ND2 ASP 196.A OD2 no hydrogen 2.993 N/A ILE 202.A N SER 198.A O no hydrogen 2.996 N/A GLU 203.A N GLY 199.A O no hydrogen 2.817 N/A THR 204.A N LYS 200.A O no hydrogen 3.124 N/A THR 204.A OG1 PRO 172.A O no hydrogen 2.844 N/A THR 204.A OG1 LYS 200.A O no hydrogen 3.400 N/A GLY 205.A N ASN 201.A O no hydrogen 3.188 N/A ILE 206.A N ILE 202.A O no hydrogen 3.014 N/A LYS 207.A N GLU 203.A O no hydrogen 2.958 N/A LEU 208.A N THR 204.A O no hydrogen 2.910 N/A GLY 209.A N ILE 206.A O no hydrogen 2.802 N/A MET 210.A N GLY 205.A O no hydrogen 3.049 N/A LYS 211.A N ALA 192.A O no hydrogen 2.878 N/A ILE 214.A N PHE 194.A O no hydrogen 2.748 N/A HIS 215.A N ILE 229.A O no hydrogen 2.751 N/A LEU 216.A N ASP 196.A O no hydrogen 2.994 N/A VAL 217.A N ILE 231.A O no hydrogen 2.853 N/A ALA 228.A N PRO 225.A O no hydrogen 3.239 N/A ILE 229.A N CYS 213.A O no hydrogen 3.012 N/A ILE 231.A N HIS 215.A O no hydrogen 3.294 N/A SER 232.A N GLU 236.A OE1 no hydrogen 3.372 N/A SER 232.A OG GLU 236.A OE2 no hydrogen 2.845 N/A LEU 235.A N ASP 233.A OD2 no hydrogen 2.992 N/A GLU 236.A N ASP 233.A O no hydrogen 2.901 N/A LEU 237.A N ILE 234.A O no hydrogen 2.945 N/A HIS 239.A N GLU 236.A O no hydrogen 2.783 N/A VAL 240.A N LEU 237.A O no hydrogen 3.005 N/A VAL 241.A N LEU 237.A O no hydrogen 3.009 N/A SER 242.A OG PRO 238.A O no hydrogen 2.683 N/A SER 242.A OG HIS 239.A O no hydrogen 3.176 N/A LEU 244.A N VAL 241.A O no hydrogen 2.983 N/A PHE 245.A N SER 242.A O no hydrogen 3.005 N/A LEU 246.A N ASP 243.A O no hydrogen 3.113 N/A