Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r8d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLN 6.A OE1 no hydrogen 2.913 N/A THR 3.A OG1 GLU 5.A OE1 no hydrogen 3.015 N/A GLN 6.A N THR 3.A OG1 no hydrogen 3.239 N/A ARG 7.A N THR 3.A O no hydrogen 2.871 N/A ARG 7.A NH1 GLU 4.A OE1 no hydrogen 2.904 N/A MET 8.A N GLU 4.A O no hydrogen 3.001 N/A MET 8.A N GLU 5.A O no hydrogen 3.121 N/A MET 9.A N GLU 5.A O no hydrogen 3.029 N/A MET 9.A N GLN 6.A O no hydrogen 3.049 N/A ILE 10.A N GLN 6.A O no hydrogen 2.916 N/A ARG 11.A N ARG 7.A O no hydrogen 3.184 N/A GLU 12.A N MET 8.A O no hydrogen 2.989 N/A LEU 13.A N MET 9.A O no hydrogen 2.903 N/A MET 14.A N ILE 10.A O no hydrogen 2.802 N/A ASP 15.A N ARG 11.A O no hydrogen 2.986 N/A ALA 16.A N GLU 12.A O no hydrogen 3.088 N/A GLN 17.A N LEU 13.A O no hydrogen 2.917 N/A GLN 17.A NE2 GLN 177.A OE1 no hydrogen 3.102 N/A MET 18.A N MET 14.A O no hydrogen 2.996 N/A MET 18.A N ASP 15.A O no hydrogen 3.197 N/A LYS 19.A N ASP 15.A O no hydrogen 3.214 N/A LYS 19.A NZ ASP 15.A OD2 no hydrogen 3.327 N/A THR 20.A OG1 ALA 16.A O no hydrogen 2.795 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 3.558 N/A THR 24.A OG1 SER 26.A OG no hydrogen 2.534 N/A PHE 25.A N ASP 22.A O no hydrogen 2.869 N/A SER 26.A OG THR 24.A OG1 no hydrogen 2.534 N/A HIS 27.A N ASP 22.A OD2 no hydrogen 3.037 N/A PHE 28.A N PHE 25.A O no hydrogen 3.170 N/A ARG 32.A N ASP 83.A OD2 no hydrogen 2.786 N/A ARG 32.A NE ASP 83.A OD2 no hydrogen 3.043 N/A ARG 32.A NH2 ASP 83.A OD1 no hydrogen 2.873 N/A VAL 40.A N TRP 37.A O no hydrogen 2.543 N/A ARG 41.A N TRP 37.A O no hydrogen 2.917 N/A LYS 42.A N SER 38.A O no hydrogen 3.107 N/A LYS 42.A N GLN 39.A O no hydrogen 3.413 N/A SER 46.A OG ASP 43.A O no hydrogen 2.877 N/A LYS 48.A NZ PRO 66.A O no hydrogen 3.488 N/A SER 50.A N CYS 145.A O no hydrogen 3.069 N/A LEU 51.A N TYR 63.A O no hydrogen 2.894 N/A GLN 52.A N SER 143.A O no hydrogen 2.780 N/A LEU 53.A N TRP 61.A O no hydrogen 2.841 N/A ARG 54.A N ARG 141.A O no hydrogen 2.831 N/A ARG 54.A NH2 SER 143.A OG no hydrogen 3.362 N/A GLY 55.A N SER 59.A O no hydrogen 3.017 N/A GLY 58.A N GLY 55.A O no hydrogen 2.435 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.401 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 3.303 N/A SER 59.A OG ASP 57.A OD2 no hydrogen 3.498 N/A TRP 61.A N LEU 53.A O no hydrogen 2.897 N/A TYR 63.A N LEU 51.A O no hydrogen 2.894 N/A TYR 63.A OH SER 76.A OG no hydrogen 2.914 N/A SER 76.A OG TYR 63.A OH no hydrogen 2.914 N/A SER 76.A OG GLU 73.A O no hydrogen 3.201 N/A LEU 78.A N PHE 75.A O no hydrogen 3.096 N/A HIS 80.A ND1 ARG 32.A O no hydrogen 3.176 N/A HIS 80.A NE2 TYR 144.A OH no hydrogen 2.555 N/A ASP 83.A N PRO 79.A O no hydrogen 3.111 N/A MET 84.A N HIS 80.A O no hydrogen 2.944 N/A SER 85.A N MET 81.A O no hydrogen 2.780 N/A SER 85.A OG MET 81.A O no hydrogen 3.463 N/A THR 86.A N ALA 82.A O no hydrogen 3.069 N/A THR 86.A OG1 ALA 82.A O no hydrogen 2.893 N/A THR 86.A OG1 THR 255.A OG1 no hydrogen 2.716 N/A TYR 87.A N ASP 83.A O no hydrogen 2.978 N/A MET 88.A N MET 84.A O no hydrogen 2.959 N/A PHE 89.A N SER 85.A O no hydrogen 2.741 N/A LYS 90.A N THR 86.A O no hydrogen 3.039 N/A LYS 90.A N TYR 87.A O no hydrogen 3.213 N/A GLY 91.A N TYR 87.A O no hydrogen 3.359 N/A ILE 92.A N MET 88.A O no hydrogen 2.968 N/A ILE 93.A N PHE 89.A O no hydrogen 2.823 N/A SER 94.A N LYS 90.A O no hydrogen 2.958 N/A SER 94.A OG LYS 90.A O no hydrogen 2.963 N/A PHE 95.A N GLY 91.A O no hydrogen 2.891 N/A ALA 96.A N ILE 92.A O no hydrogen 3.127 N/A LYS 97.A N ILE 93.A O no hydrogen 3.106 N/A VAL 98.A N SER 94.A O no hydrogen 3.292 N/A VAL 98.A N PHE 95.A O no hydrogen 3.212 N/A ILE 99.A N ALA 96.A O no hydrogen 3.151 N/A SER 100.A N GLU 12.A OE1 no hydrogen 2.578 N/A SER 100.A OG GLU 12.A OE1 no hydrogen 3.119 N/A SER 100.A OG GLU 12.A OE2 no hydrogen 2.758 N/A PHE 102.A N ILE 99.A O no hydrogen 2.780 N/A ARG 103.A N ILE 99.A O no hydrogen 2.978 N/A ARG 103.A NH1 LYS 97.A O no hydrogen 3.137 N/A ASP 104.A N SER 100.A O no hydrogen 2.810 N/A LEU 105.A N PHE 102.A O no hydrogen 2.872 N/A GLU 108.A N GLU 108.A OE1 no hydrogen 3.007 N/A GLN 110.A N PRO 106.A O no hydrogen 2.912 N/A GLN 110.A NE2 LEU 105.A O no hydrogen 3.006 N/A ILE 111.A N ILE 107.A O no hydrogen 3.054 N/A SER 112.A N GLU 108.A O no hydrogen 3.210 N/A SER 112.A OG PRO 187.A O no hydrogen 3.274 N/A SER 112.A OG GLY 188.A O no hydrogen 2.822 N/A LEU 113.A N ASP 109.A O no hydrogen 3.134 N/A LEU 114.A N GLN 110.A O no hydrogen 3.073 N/A LYS 115.A N ILE 111.A O no hydrogen 3.250 N/A GLY 116.A N SER 112.A O no hydrogen 3.031 N/A ALA 117.A N LEU 113.A O no hydrogen 2.986 N/A ALA 117.A N LEU 114.A O no hydrogen 3.209 N/A ALA 118.A N LEU 114.A O no hydrogen 2.999 N/A LEU 121.A N ALA 117.A O no hydrogen 3.100 N/A CYS 122.A N ALA 118.A O no hydrogen 3.103 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.371 N/A GLN 123.A N PHE 119.A O no hydrogen 2.947 N/A LEU 124.A N GLU 120.A O no hydrogen 2.828 N/A ARG 125.A N LEU 121.A O no hydrogen 2.760 N/A ARG 125.A NE GLN 17.A OE1 no hydrogen 3.178 N/A ARG 125.A NH1 THR 20.A O no hydrogen 2.842 N/A ARG 125.A NH2 GLN 17.A OE1 no hydrogen 3.122 N/A ARG 125.A NH2 THR 20.A OG1 no hydrogen 2.701 N/A PHE 126.A N CYS 122.A O no hydrogen 2.792 N/A ASN 127.A N GLN 123.A O no hydrogen 2.991 N/A ASN 127.A ND2 HIS 160.A ND1 no hydrogen 2.830 N/A ASN 127.A ND2 HIS 160.A O no hydrogen 2.923 N/A THR 128.A OG1 ARG 125.A O no hydrogen 3.123 N/A VAL 129.A N PHE 126.A O no hydrogen 3.102 N/A PHE 130.A N ASN 127.A O no hydrogen 3.294 N/A ASN 131.A N THR 136.A O no hydrogen 2.684 N/A ASN 131.A ND2 GLU 138.A OE1 no hydrogen 3.498 N/A THR 134.A N ASN 131.A OD1 no hydrogen 2.988 N/A THR 134.A OG1 THR 136.A OG1 no hydrogen 3.383 N/A THR 136.A N ASN 131.A O no hydrogen 2.856 N/A THR 136.A OG1 THR 134.A OG1 no hydrogen 3.383 N/A TRP 137.A N TYR 144.A O no hydrogen 3.095 N/A GLU 138.A N VAL 129.A O no hydrogen 2.800 N/A CYS 139.A N LEU 142.A O no hydrogen 3.039 N/A CYS 139.A SG TRP 137.A O no hydrogen 3.552 N/A LEU 142.A N CYS 139.A O no hydrogen 3.268 N/A SER 143.A N GLN 52.A O no hydrogen 2.637 N/A TYR 144.A N TRP 137.A O no hydrogen 3.442 N/A TYR 144.A OH HIS 80.A NE2 no hydrogen 2.555 N/A CYS 145.A N SER 50.A O no hydrogen 2.789 N/A CYS 145.A SG LEU 146.A O no hydrogen 3.746 N/A LEU 146.A N GLY 135.A O no hydrogen 3.007 N/A LEU 151.A N PHE 148.A O no hydrogen 2.763 N/A LYS 158.A N GLU 154.A O no hydrogen 2.875 N/A PHE 159.A N MET 156.A O no hydrogen 2.964 N/A HIS 160.A N MET 156.A O no hydrogen 2.812 N/A TYR 161.A N LEU 157.A O no hydrogen 2.952 N/A LEU 163.A N PHE 159.A O no hydrogen 2.943 N/A LYS 164.A N HIS 160.A O no hydrogen 3.073 N/A LYS 164.A NZ ASN 127.A O no hydrogen 3.149 N/A LYS 164.A NZ PHE 130.A O no hydrogen 2.822 N/A LYS 165.A N TYR 161.A O no hydrogen 2.943 N/A LEU 166.A N LEU 163.A O no hydrogen 2.975 N/A GLN 167.A N LYS 164.A O no hydrogen 3.153 N/A HIS 169.A N GLU 172.A OE2 no hydrogen 2.635 N/A HIS 169.A ND1 TYR 209.A OH no hydrogen 2.880 N/A GLU 171.A N GLU 171.A OE2 no hydrogen 2.552 N/A TYR 173.A N HIS 169.A O no hydrogen 2.927 N/A TYR 173.A OH ASN 127.A OD1 no hydrogen 2.531 N/A VAL 174.A N GLU 171.A O no hydrogen 3.179 N/A LEU 175.A N GLU 171.A O no hydrogen 2.884 N/A MET 176.A N GLU 172.A O no hydrogen 3.030 N/A GLN 177.A N VAL 174.A O no hydrogen 2.788 N/A GLN 177.A NE2 GLN 17.A OE1 no hydrogen 3.150 N/A ALA 178.A N VAL 174.A O no hydrogen 3.207 N/A ILE 179.A N LEU 175.A O no hydrogen 2.846 N/A SER 180.A N MET 176.A O no hydrogen 3.118 N/A SER 180.A OG GLU 120.A OE1 no hydrogen 3.161 N/A LEU 181.A N GLN 177.A O no hydrogen 2.792 N/A PHE 182.A N ALA 178.A O no hydrogen 2.822 N/A SER 183.A OG SER 180.A O no hydrogen 2.896 N/A ARG 186.A NH1 GLU 120.A OE2 no hydrogen 3.352 N/A ARG 186.A NH2 GLU 120.A OE1 no hydrogen 3.152 N/A ARG 186.A NH2 GLU 120.A OE2 no hydrogen 3.561 N/A ARG 186.A NH2 SER 180.A O no hydrogen 2.980 N/A LEU 190.A N ASP 109.A OD1 no hydrogen 3.030 N/A LEU 190.A N ASP 109.A OD2 no hydrogen 2.545 N/A GLN 191.A N ASP 109.A OD1 no hydrogen 2.536 N/A HIS 192.A N LEU 190.A O no hydrogen 2.688 N/A VAL 195.A N GLN 191.A O no hydrogen 3.080 N/A ASP 196.A N HIS 192.A O no hydrogen 3.286 N/A GLN 197.A N ARG 193.A O no hydrogen 2.855 N/A LEU 198.A N VAL 194.A O no hydrogen 2.791 N/A GLN 199.A N VAL 195.A O no hydrogen 2.862 N/A GLU 200.A N ASP 196.A O no hydrogen 2.972 N/A GLN 201.A N LEU 198.A O no hydrogen 2.961 N/A GLN 201.A NE2 GLN 197.A O no hydrogen 3.472 N/A PHE 202.A N LEU 198.A O no hydrogen 3.089 N/A ALA 203.A N GLN 199.A O no hydrogen 2.832 N/A ILE 204.A N GLU 200.A O no hydrogen 3.357 N/A THR 205.A N GLN 201.A O no hydrogen 2.931 N/A THR 205.A OG1 GLN 201.A O no hydrogen 2.684 N/A LEU 206.A N PHE 202.A O no hydrogen 3.157 N/A LYS 207.A N ALA 203.A O no hydrogen 2.850 N/A SER 208.A N ILE 204.A O no hydrogen 2.901 N/A SER 208.A OG ILE 204.A O no hydrogen 2.864 N/A TYR 209.A N THR 205.A O no hydrogen 2.650 N/A TYR 209.A OH HIS 169.A ND1 no hydrogen 2.880 N/A ILE 210.A N LEU 206.A O no hydrogen 3.042 N/A GLU 211.A N LYS 207.A O no hydrogen 2.958 N/A CYS 212.A N SER 208.A O no hydrogen 2.877 N/A CYS 212.A SG SER 208.A O no hydrogen 3.243 N/A ASN 213.A N TYR 209.A O no hydrogen 2.972 N/A ASN 213.A ND2 TYR 209.A O no hydrogen 2.545 N/A ARG 214.A N ILE 210.A O no hydrogen 3.053 N/A ARG 214.A NH1 GLU 172.A OE1 no hydrogen 3.188 N/A ARG 214.A NH2 GLN 167.A O no hydrogen 3.085 N/A ARG 214.A NH2 HIS 219.A NE2 no hydrogen 3.294 N/A HIS 219.A N GLN 216.A O no hydrogen 2.562 N/A LEU 224.A N PHE 221.A O no hydrogen 3.165 N/A LYS 225.A N PHE 221.A O no hydrogen 2.838 N/A ILE 226.A N LEU 222.A O no hydrogen 2.728 N/A MET 227.A N PHE 223.A O no hydrogen 3.059 N/A ALA 228.A N LEU 224.A O no hydrogen 2.965 N/A MET 229.A N LYS 225.A O no hydrogen 3.341 N/A LEU 230.A N ILE 226.A O no hydrogen 3.002 N/A THR 231.A N MET 227.A O no hydrogen 3.276 N/A THR 231.A OG1 MET 227.A O no hydrogen 3.416 N/A GLU 232.A N ALA 228.A O no hydrogen 2.928 N/A LEU 233.A N MET 229.A O no hydrogen 2.719 N/A ARG 234.A N LEU 230.A O no hydrogen 2.999 N/A ARG 234.A NH1 ASP 185.A OD2 no hydrogen 3.418 N/A ARG 234.A NH2 ASP 185.A OD1 no hydrogen 2.856 N/A ILE 236.A N GLU 232.A O no hydrogen 3.063 N/A ASN 237.A N LEU 233.A O no hydrogen 2.989 N/A ASN 237.A ND2 GLY 116.A O no hydrogen 3.471 N/A ALA 238.A N ARG 234.A O no hydrogen 3.043 N/A GLN 239.A N SER 235.A O no hydrogen 2.926 N/A HIS 240.A N ILE 236.A O no hydrogen 3.108 N/A THR 241.A N ASN 237.A O no hydrogen 3.016 N/A THR 241.A OG1 ASN 237.A O no hydrogen 3.312 N/A GLN 242.A N ALA 238.A O no hydrogen 3.156 N/A ARG 243.A N GLN 239.A O no hydrogen 3.084 N/A ARG 243.A NH1 GLU 154.A OE1 no hydrogen 3.343 N/A LEU 244.A N HIS 240.A O no hydrogen 2.829 N/A LEU 245.A N THR 241.A O no hydrogen 2.926 N/A ARG 246.A N GLN 242.A O no hydrogen 3.276 N/A ARG 246.A N ARG 243.A O no hydrogen 3.202 N/A ARG 246.A NE ASP 43.A OD1 no hydrogen 2.694 N/A ARG 246.A NH2 ASP 43.A OD1 no hydrogen 2.592 N/A ARG 246.A NH2 ASP 43.A OD2 no hydrogen 3.017 N/A ILE 247.A N ARG 243.A O no hydrogen 3.270 N/A GLN 248.A N LEU 244.A O no hydrogen 3.041 N/A ASP 249.A N LEU 245.A O no hydrogen 3.062 N/A ILE 250.A N ARG 246.A O no hydrogen 3.342 N/A HIS 251.A N ILE 247.A O no hydrogen 2.734 N/A PHE 253.A N GLN 248.A OE1 no hydrogen 2.829 N/A ALA 254.A N GLN 248.A OE1 no hydrogen 3.039 N/A THR 255.A OG1 THR 86.A OG1 no hydrogen 2.716 N/A MET 258.A N THR 255.A OG1 no hydrogen 3.322 N/A GLN 259.A N THR 255.A O no hydrogen 2.771 N/A GLN 259.A NE2 ALA 254.A O no hydrogen 2.663 N/A GLU 260.A N PRO 256.A O no hydrogen 2.848 N/A LEU 261.A N LEU 257.A O no hydrogen 3.118 N/A PHE 262.A N MET 258.A O no hydrogen 3.174 N/A GLY 263.A N GLU 260.A O no hydrogen 3.015 N/A ILE 264.A N GLN 259.A O no hydrogen 2.719 N/A