Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pqy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 28.A OD1 no hydrogen 2.908 N/A MET 4.A N CYS 100.A O no hydrogen 3.135 N/A ARG 5.A N TYR 26.A O no hydrogen 2.920 N/A ARG 5.A NH1 MET 4.A O no hydrogen 3.413 N/A ARG 5.A NH1 ASP 101.A OD1 no hydrogen 2.706 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 3.195 N/A TYR 6.A N SER 98.A O no hydrogen 2.695 N/A PHE 7.A N VAL 24.A O no hydrogen 2.795 N/A GLU 8.A N GLN 96.A O no hydrogen 2.832 N/A THR 9.A N ILE 22.A O no hydrogen 3.023 N/A ALA 10.A N LEU 94.A O no hydrogen 3.035 N/A VAL 11.A N ARG 20.A O no hydrogen 3.229 N/A SER 12.A N HIS 92.A O no hydrogen 2.849 N/A ARG 13.A NH1 ASP 38.A OD1 no hydrogen 3.141 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 3.347 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 3.138 N/A GLU 18.A N LEU 16.A O no hydrogen 2.619 N/A ARG 20.A N VAL 11.A O no hydrogen 3.143 N/A ARG 20.A NE ASP 36.A OD1 no hydrogen 2.957 N/A ARG 20.A NE ASP 36.A OD2 no hydrogen 3.080 N/A ARG 20.A NH2 ASP 36.A OD1 no hydrogen 3.450 N/A ARG 20.A NH2 ASP 36.A OD2 no hydrogen 2.681 N/A TYR 21.A OH GLU 8.A OE1 no hydrogen 2.529 N/A ILE 22.A N THR 9.A O no hydrogen 2.794 N/A SER 23.A N PHE 35.A O no hydrogen 3.060 N/A SER 23.A OG TYR 44.A OH no hydrogen 2.761 N/A VAL 24.A N PHE 7.A O no hydrogen 2.807 N/A GLY 25.A N VAL 33.A O no hydrogen 3.215 N/A TYR 26.A N ARG 5.A O no hydrogen 2.784 N/A VAL 27.A N LYS 30.A O no hydrogen 2.900 N/A ASP 28.A N SER 3.A O no hydrogen 2.819 N/A LYS 30.A N VAL 27.A O no hydrogen 2.908 N/A LYS 30.A NZ GLU 31.A O no hydrogen 3.102 N/A PHE 32.A N GLY 25.A O no hydrogen 3.009 N/A ARG 34.A NE GLU 31.A OE2 no hydrogen 2.781 N/A ARG 34.A NH2 GLU 31.A OE1 no hydrogen 3.232 N/A ARG 34.A NH2 GLU 31.A OE2 no hydrogen 3.409 N/A PHE 35.A N SER 23.A O no hydrogen 2.778 N/A SER 37.A N TYR 21.A O no hydrogen 3.161 N/A SER 37.A OG GLU 70.A OE2 no hydrogen 3.283 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 2.946 N/A ALA 39.A N ASP 36.A O no hydrogen 3.291 N/A TYR 44.A N THR 63.A OG1 no hydrogen 3.201 N/A TYR 44.A OH SER 23.A OG no hydrogen 2.761 N/A GLU 45.A N ARG 34.A O no hydrogen 3.206 N/A ARG 47.A N PHE 32.A O no hydrogen 2.897 N/A ARG 47.A NE GLU 31.A OE2 no hydrogen 3.057 N/A GLU 52.A N PRO 49.A O no hydrogen 3.425 N/A GLU 54.A N MET 51.A O no hydrogen 3.041 N/A TYR 58.A N GLY 55.A O no hydrogen 2.758 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.633 N/A TRP 59.A NE1 GLU 54.A O no hydrogen 3.044 N/A GLU 60.A N PRO 56.A O no hydrogen 2.912 N/A ARG 61.A NE GLU 57.A O no hydrogen 3.267 N/A ARG 61.A NH2 GLU 57.A O no hydrogen 3.556 N/A GLU 62.A N TYR 58.A O no hydrogen 2.986 N/A THR 63.A N TRP 59.A O no hydrogen 3.167 N/A THR 63.A OG1 TRP 59.A O no hydrogen 3.012 N/A LYS 65.A N ARG 61.A O no hydrogen 3.291 N/A ALA 66.A N GLU 62.A O no hydrogen 2.674 N/A LYS 67.A N THR 63.A O no hydrogen 2.822 N/A GLN 69.A N LYS 65.A O no hydrogen 2.959 N/A GLU 70.A N ALA 66.A O no hydrogen 2.857 N/A TRP 72.A N GLY 68.A O no hydrogen 3.270 N/A PHE 73.A N GLN 69.A O no hydrogen 3.020 N/A ARG 74.A N GLU 70.A O no hydrogen 3.074 N/A ARG 74.A NH2 GLN 71.A OE1 no hydrogen 2.818 N/A VAL 75.A N GLN 71.A O no hydrogen 2.875 N/A SER 76.A N TRP 72.A O no hydrogen 2.803 N/A SER 76.A OG TRP 72.A O no hydrogen 2.930 N/A LEU 77.A N PHE 73.A O no hydrogen 2.701 N/A ARG 78.A N ARG 74.A O no hydrogen 3.412 N/A ARG 78.A N VAL 75.A O no hydrogen 3.013 N/A ASN 79.A N VAL 75.A O no hydrogen 3.093 N/A LEU 80.A N SER 76.A O no hydrogen 3.285 N/A LEU 81.A N LEU 77.A O no hydrogen 3.422 N/A GLY 82.A N ARG 78.A O no hydrogen 3.454 N/A TYR 83.A N ASN 79.A O no hydrogen 3.147 N/A TYR 84.A N LEU 80.A O no hydrogen 2.929 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 2.972 N/A ASN 85.A N GLY 82.A O no hydrogen 3.019 N/A GLN 86.A N LEU 81.A O no hydrogen 2.895 N/A SER 91.A OG SER 12.A O no hydrogen 3.457 N/A HIS 92.A ND1 GLU 118.A OE2 no hydrogen 2.786 N/A THR 93.A N GLU 118.A OE1 no hydrogen 3.087 N/A LEU 94.A N ALA 10.A O no hydrogen 3.015 N/A GLN 95.A N ALA 116.A O no hydrogen 2.845 N/A GLN 96.A N GLU 8.A O no hydrogen 2.989 N/A MET 97.A N GLN 114.A O no hydrogen 2.917 N/A SER 98.A N TYR 6.A O no hydrogen 3.219 N/A GLY 99.A N TYR 112.A O no hydrogen 3.053 N/A CYS 100.A N MET 4.A O no hydrogen 3.144 N/A ASP 101.A N ARG 110.A O no hydrogen 2.813 N/A LEU 102.A N HIS 2.A O no hydrogen 2.786 N/A GLY 103.A N ARG 107.A O no hydrogen 3.476 N/A ARG 107.A N ASP 105.A O no hydrogen 2.628 N/A LEU 109.A N ASP 101.A O no hydrogen 2.633 N/A ARG 110.A N ASP 101.A O no hydrogen 3.258 N/A TYR 112.A N GLY 99.A O no hydrogen 2.785 N/A GLN 114.A N MET 97.A O no hydrogen 2.933 N/A PHE 115.A N ILE 123.A O no hydrogen 2.722 N/A ALA 116.A N GLN 95.A O no hydrogen 2.965 N/A TYR 117.A N ARG 120.A O no hydrogen 2.923 N/A GLU 118.A N THR 93.A O no hydrogen 2.989 N/A TYR 122.A N PHE 115.A O no hydrogen 2.934 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.504 N/A ALA 124.A N THR 133.A O no hydrogen 3.038 N/A LEU 125.A N LEU 113.A O no hydrogen 2.640 N/A ASN 126.A N THR 131.A O no hydrogen 3.008 N/A ASN 126.A ND2 THR 133.A OG1 no hydrogen 2.592 N/A LEU 129.A N ASN 126.A O no hydrogen 3.044 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 3.192 N/A THR 131.A N ASP 128.A OD1 no hydrogen 3.298 N/A THR 131.A OG1 ASN 126.A OD1 no hydrogen 2.765 N/A THR 131.A OG1 ASP 128.A OD1 no hydrogen 3.215 N/A THR 133.A N ALA 124.A O no hydrogen 2.921 N/A ALA 135.A N TYR 122.A O no hydrogen 2.979 N/A ALA 138.A N ASP 136.A OD2 no hydrogen 3.248 N/A GLN 140.A N MET 137.A O no hydrogen 3.266 N/A ILE 141.A N ALA 138.A O no hydrogen 2.741 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.504 N/A ARG 143.A N ALA 139.A O no hydrogen 2.806 N/A ARG 144.A N GLN 140.A O no hydrogen 3.180 N/A LYS 145.A N ILE 141.A O no hydrogen 3.100 N/A TRP 146.A N THR 142.A O no hydrogen 2.841 N/A GLU 147.A N ARG 143.A O no hydrogen 2.621 N/A GLN 148.A N ARG 144.A O no hydrogen 3.100 N/A SER 149.A OG LYS 145.A O no hydrogen 2.624 N/A GLY 150.A N GLU 147.A O no hydrogen 2.975 N/A ALA 151.A N TRP 146.A O no hydrogen 2.861 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 3.002 N/A HIS 154.A N ALA 151.A O no hydrogen 3.067 N/A LYS 156.A N ALA 152.A O no hydrogen 2.927 N/A LYS 156.A NZ GLU 160.A OE1 no hydrogen 3.022 N/A LYS 156.A NZ GLU 160.A OE2 no hydrogen 3.250 N/A ALA 157.A N GLU 153.A O no hydrogen 2.945 N/A TYR 158.A N TYR 155.A O no hydrogen 3.198 N/A LEU 159.A N TYR 155.A O no hydrogen 2.921 N/A GLU 160.A N LYS 156.A O no hydrogen 3.016 N/A GLY 161.A N ALA 157.A O no hydrogen 3.245 N/A CYS 163.A N TYR 158.A O no hydrogen 2.865 N/A GLU 165.A N GLY 161.A O no hydrogen 3.099 N/A TRP 166.A N GLU 162.A O no hydrogen 3.146 N/A TRP 166.A N CYS 163.A O no hydrogen 3.096 N/A LEU 167.A N CYS 163.A O no hydrogen 3.094 N/A HIS 168.A N VAL 164.A O no hydrogen 3.156 N/A TYR 170.A N TRP 166.A O no hydrogen 2.921 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.633 N/A LEU 171.A N HIS 168.A O no hydrogen 2.867 N/A LYS 172.A N HIS 168.A O no hydrogen 2.851 N/A ASN 173.A ND2 GLN 53.A OE1 no hydrogen 2.687 N/A GLY 174.A N TYR 170.A O no hydrogen 2.963 N/A ASN 175.A N LEU 171.A O no hydrogen 3.278 N/A ALA 176.A N GLY 174.A O no hydrogen 2.543 N/A THR 177.A N GLY 174.A O no hydrogen 2.936 N/A LEU 178.A N GLY 174.A O no hydrogen 3.256 N/A SER 183.A OG GLY 264.A O no hydrogen 2.636 N/A LYS 185.A NZ SER 183.A O no hydrogen 3.404 N/A HIS 187.A N TRP 203.A O no hydrogen 3.362 N/A THR 189.A N ARG 201.A O no hydrogen 2.939 N/A THR 189.A OG1 HIS 191.A NE2 no hydrogen 3.044 N/A THR 189.A OG1 ARG 201.A O no hydrogen 3.285 N/A HIS 191.A N THR 199.A O no hydrogen 3.054 N/A ARG 193.A N GLU 197.A O no hydrogen 3.036 N/A ARG 193.A NH1 GLU 197.A OE1 no hydrogen 3.406 N/A GLU 197.A N SER 194.A O no hydrogen 3.317 N/A VAL 198.A N VAL 248.A O no hydrogen 2.877 N/A THR 199.A N HIS 191.A O no hydrogen 2.646 N/A LEU 200.A N VAL 246.A O no hydrogen 2.807 N/A ARG 201.A N THR 189.A O no hydrogen 3.258 N/A CYS 202.A N ALA 244.A O no hydrogen 2.614 N/A CYS 202.A SG TRP 203.A O no hydrogen 3.917 N/A TRP 203.A N HIS 187.A O no hydrogen 3.393 N/A GLY 206.A N PHE 240.A O no hydrogen 3.192 N/A TYR 208.A N ASP 182.A O no hydrogen 3.121 N/A THR 213.A N TYR 261.A O no hydrogen 2.971 N/A THR 215.A N ARG 259.A O no hydrogen 2.965 N/A THR 215.A OG1 ARG 259.A O no hydrogen 3.172 N/A GLN 217.A NE2 GLY 220.A O no hydrogen 3.340 N/A LEU 218.A N GLU 221.A O no hydrogen 3.053 N/A ASN 219.A N ASN 255.A O no hydrogen 3.479 N/A GLU 221.A N LEU 218.A O no hydrogen 3.067 N/A LEU 223.A N TRP 216.A O no hydrogen 2.977 N/A GLU 228.A N SER 245.A O no hydrogen 3.073 N/A VAL 230.A N TRP 243.A O no hydrogen 3.441 N/A ARG 233.A N GLN 241.A O no hydrogen 3.007 N/A ARG 233.A NH1 GLN 241.A OE1 no hydrogen 2.878 N/A ALA 235.A N THR 239.A O no hydrogen 2.886 N/A THR 239.A N ASP 237.A OD1 no hydrogen 2.819 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.636 N/A PHE 240.A N PHE 207.A O no hydrogen 2.918 N/A GLN 241.A N ARG 233.A O no hydrogen 2.888 N/A LYS 242.A N ALA 204.A O no hydrogen 3.110 N/A ALA 244.A N CYS 202.A O no hydrogen 3.173 N/A SER 245.A N GLU 228.A O no hydrogen 2.897 N/A VAL 246.A N LEU 200.A O no hydrogen 3.181 N/A VAL 248.A N VAL 198.A O no hydrogen 2.934 N/A LEU 250.A N GLY 196.A O no hydrogen 3.019 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 2.873 N/A GLY 251.A N GLU 253.A OE2 no hydrogen 3.300 N/A LYS 252.A N PRO 249.A O no hydrogen 3.299 N/A LYS 252.A N GLU 253.A OE1 no hydrogen 3.345 N/A GLN 254.A N GLN 254.A OE1 no hydrogen 2.703 N/A GLN 254.A NE2 TRP 273.A O no hydrogen 3.021 N/A ASN 255.A N LYS 252.A O no hydrogen 3.266 N/A TYR 256.A N GLU 253.A O no hydrogen 3.049 N/A THR 257.A N GLN 217.A O no hydrogen 3.400 N/A CYS 258.A N LEU 271.A O no hydrogen 3.152 N/A CYS 258.A SG THR 215.A O no hydrogen 4.005 N/A ARG 259.A N THR 215.A O no hydrogen 2.974 N/A VAL 260.A N LEU 269.A O no hydrogen 3.058 N/A TYR 261.A N THR 213.A O no hydrogen 2.891 N/A HIS 262.A ND1 ASP 211.A O no hydrogen 3.044 N/A HIS 262.A NE2 TYR 208.A O no hydrogen 3.051 N/A LEU 269.A N VAL 260.A O no hydrogen 3.119 N/A LEU 271.A N CYS 258.A O no hydrogen 2.980 N/A ARG 272.A NH1 GLN 254.A O no hydrogen 3.528 N/A