Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p0q_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N ASN 1.A O no hydrogen 2.950 N/A THR 6.A OG1 ALA 2.A O no hydrogen 2.652 N/A THR 6.A OG1 ALA 3.A O no hydrogen 3.215 N/A LYS 9.A N VAL 5.A O no hydrogen 2.741 N/A ALA 10.A N THR 6.A O no hydrogen 2.436 N/A GLN 11.A N MET 8.A O no hydrogen 3.369 N/A GLU 15.A N ARG 12.A O no hydrogen 3.009 N/A CYS 16.A SG PRO 13.A O no hydrogen 3.995 N/A HIS 19.A N CYS 16.A O no hydrogen 3.288 N/A ILE 20.A N LEU 17.A O no hydrogen 3.140 N/A ILE 21.A N ARG 62.A O no hydrogen 3.036 N/A VAL 22.A N ARG 47.A O no hydrogen 2.765 N/A VAL 23.A N THR 60.A O no hydrogen 2.962 N/A LEU 24.A N VAL 49.A O no hydrogen 2.894 N/A LEU 29.A N ASP 25.A O no hydrogen 3.293 N/A GLN 30.A N PRO 26.A O no hydrogen 2.825 N/A MET 31.A N LEU 28.A O no hydrogen 3.446 N/A GLU 32.A N GLU 32.A OE1 no hydrogen 2.407 N/A GLY 34.A N MET 31.A O no hydrogen 2.782 N/A LEU 37.A N GLY 33.A O no hydrogen 2.914 N/A LEU 38.A N GLY 34.A O no hydrogen 3.014 N/A GLY 39.A N GLY 35.A O no hydrogen 2.802 N/A ALA 40.A N GLN 36.A O no hydrogen 3.242 N/A LEU 41.A N LEU 37.A O no hydrogen 3.034 N/A GLN 42.A N LEU 38.A O no hydrogen 3.189 N/A GLN 42.A N GLY 39.A O no hydrogen 3.072 N/A THR 43.A N GLY 39.A O no hydrogen 3.104 N/A THR 43.A N ALA 40.A O no hydrogen 3.178 N/A THR 43.A OG1 GLY 39.A O no hydrogen 2.968 N/A MET 44.A N LEU 41.A O no hydrogen 3.313 N/A CYS 46.A N MET 44.A O no hydrogen 2.680 N/A CYS 46.A SG LEU 41.A O no hydrogen 3.507 N/A ARG 47.A NH1 GLU 69.A OE2 no hydrogen 3.346 N/A VAL 49.A N VAL 22.A O no hydrogen 2.915 N/A GLU 51.A N LEU 24.A O no hydrogen 3.310 N/A GLN 53.A N ASP 25.A OD1 no hydrogen 3.106 N/A CYS 57.A N ASP 25.A OD2 no hydrogen 3.109 N/A SER 58.A OG VAL 55.A O no hydrogen 2.402 N/A VAL 59.A N LEU 81.A O no hydrogen 2.770 N/A THR 60.A N VAL 23.A O no hydrogen 3.023 N/A THR 60.A OG1 GLN 53.A OE1 no hydrogen 2.582 N/A TRP 61.A NE1 THR 164.A OG1 no hydrogen 3.243 N/A ARG 62.A N ILE 21.A O no hydrogen 3.050 N/A ARG 62.A NE GLU 76.A OE2 no hydrogen 2.739 N/A ARG 62.A NH1 GLU 51.A OE1 no hydrogen 3.517 N/A ARG 62.A NH2 GLU 51.A OE1 no hydrogen 3.022 N/A ARG 62.A NH2 GLU 76.A OE2 no hydrogen 3.506 N/A ARG 63.A N VAL 75.A O no hydrogen 3.009 N/A ARG 63.A NE GLU 77.A OE2 no hydrogen 2.413 N/A ARG 63.A NH1 ALA 168.A O no hydrogen 2.991 N/A ARG 63.A NH2 GLU 77.A OE2 no hydrogen 2.808 N/A ARG 63.A NH2 VAL 167.A O no hydrogen 2.540 N/A ARG 64.A N HIS 19.A O no hydrogen 3.099 N/A ARG 64.A NE GLY 66.A O no hydrogen 3.273 N/A ARG 64.A NH2 GLY 66.A O no hydrogen 2.918 N/A SER 68.A OG ASP 73.A OD2 no hydrogen 2.937 N/A ASP 73.A N ARG 71.A O no hydrogen 2.751 N/A TRP 74.A NE1 GLU 69.A O no hydrogen 2.603 N/A VAL 75.A N ARG 63.A O no hydrogen 3.062 N/A GLU 77.A N TRP 61.A O no hydrogen 3.140 N/A THR 79.A N GLU 77.A O no hydrogen 2.752 N/A VAL 80.A N ALA 114.A O no hydrogen 2.970 N/A LEU 81.A N VAL 59.A O no hydrogen 3.181 N/A VAL 82.A N SER 116.A O no hydrogen 2.959 N/A LEU 83.A N CYS 57.A O no hydrogen 2.767 N/A LEU 84.A N VAL 118.A O no hydrogen 2.808 N/A ARG 85.A NH1 GLU 32.A OE2 no hydrogen 3.476 N/A ARG 85.A NH2 GLU 32.A OE1 no hydrogen 3.158 N/A PHE 89.A N ARG 85.A O no hydrogen 2.912 N/A VAL 90.A N ALA 86.A O no hydrogen 3.085 N/A SER 91.A N GLU 87.A O no hydrogen 2.953 N/A MET 92.A N ALA 88.A O no hydrogen 3.262 N/A MET 92.A N PHE 89.A O no hydrogen 3.169 N/A ILE 93.A N PHE 89.A O no hydrogen 3.294 N/A ASP 94.A N VAL 90.A O no hydrogen 3.139 N/A LYS 97.A N ILE 93.A O no hydrogen 2.794 N/A LYS 97.A NZ GLU 134.A OE1 no hydrogen 2.523 N/A LYS 97.A NZ ASP 138.A OD2 no hydrogen 2.633 N/A GLY 101.A N THR 98.A OG1 no hydrogen 2.783 N/A PHE 102.A N THR 98.A O no hydrogen 2.920 N/A VAL 103.A N LEU 99.A O no hydrogen 2.760 N/A THR 104.A N GLN 100.A O no hydrogen 2.756 N/A THR 104.A OG1 GLN 100.A O no hydrogen 2.249 N/A ASP 105.A N GLY 101.A O no hydrogen 2.903 N/A ILE 106.A N PHE 102.A O no hydrogen 3.120 N/A THR 107.A N VAL 103.A O no hydrogen 3.041 N/A THR 107.A OG1 VAL 103.A O no hydrogen 2.312 N/A THR 107.A OG1 THR 104.A O no hydrogen 3.198 N/A ALA 108.A N THR 104.A O no hydrogen 3.089 N/A LYS 109.A N ASP 105.A O no hydrogen 2.911 N/A LYS 109.A NZ ASP 105.A OD1 no hydrogen 2.468 N/A THR 110.A N ILE 106.A O no hydrogen 2.835 N/A THR 110.A OG1 ILE 106.A O no hydrogen 2.733 N/A LYS 113.A NZ GLU 76.A OE1 no hydrogen 3.146 N/A SER 116.A N VAL 80.A O no hydrogen 2.929 N/A LEU 117.A N GLN 146.A O no hydrogen 2.506 N/A VAL 118.A N VAL 82.A O no hydrogen 3.132 N/A ILE 119.A N GLN 148.A O no hydrogen 2.961 N/A VAL 120.A N LEU 84.A O no hydrogen 3.405 N/A ASP 121.A N VAL 150.A O no hydrogen 2.972 N/A LYS 124.A N ASP 121.A OD1 no hydrogen 3.214 N/A SER 128.A OG ASP 131.A OD2 no hydrogen 2.280 N/A ASP 131.A N SER 128.A OG no hydrogen 3.216 N/A ALA 132.A N SER 128.A O no hydrogen 3.089 N/A GLU 133.A N ARG 129.A O no hydrogen 3.188 N/A GLU 134.A N VAL 130.A O no hydrogen 2.920 N/A ALA 135.A N ASP 131.A O no hydrogen 3.251 N/A LEU 136.A N ALA 132.A O no hydrogen 2.987 N/A VAL 137.A N GLU 133.A O no hydrogen 3.019 N/A ASP 138.A N GLU 134.A O no hydrogen 2.860 N/A LEU 139.A N ALA 135.A O no hydrogen 3.194 N/A GLN 140.A N LEU 136.A O no hydrogen 3.106 N/A LEU 141.A N VAL 137.A O no hydrogen 3.018 N/A HIS 142.A N ASP 138.A O no hydrogen 3.003 N/A HIS 142.A ND1 ASP 138.A O no hydrogen 3.075 N/A THR 143.A N LEU 139.A O no hydrogen 2.984 N/A THR 143.A OG1 LEU 139.A O no hydrogen 2.372 N/A ALA 145.A N THR 143.A OG1 no hydrogen 3.221 N/A GLN 146.A N LEU 115.A O no hydrogen 2.884 N/A GLN 148.A N LEU 117.A O no hydrogen 3.082 N/A VAL 150.A N ILE 119.A O no hydrogen 2.960 N/A GLN 151.A N GLU 155.A OE2 no hydrogen 3.036 N/A LYS 154.A NZ ASP 158.A OD1 no hydrogen 3.416 N/A LYS 154.A NZ ASP 158.A OD2 no hydrogen 2.782 N/A GLU 155.A N SER 152.A OG no hydrogen 3.282 N/A LEU 156.A N SER 152.A O no hydrogen 3.113 N/A ALA 157.A N LYS 154.A O no hydrogen 2.963 N/A ASP 158.A N LYS 154.A O no hydrogen 2.809 N/A PHE 159.A N GLU 155.A O no hydrogen 3.001 N/A THR 160.A OG1 LEU 156.A O no hydrogen 2.925 N/A CYS 161.A N ALA 157.A O no hydrogen 3.339 N/A CYS 161.A SG ALA 157.A O no hydrogen 3.187 N/A ALA 162.A N ASP 158.A O no hydrogen 2.919 N/A PHE 163.A N PHE 159.A O no hydrogen 2.556 N/A THR 164.A N THR 160.A O no hydrogen 2.732 N/A THR 164.A OG1 THR 160.A O no hydrogen 2.598 N/A LYS 165.A N CYS 161.A O no hydrogen 2.923 N/A ALA 166.A N ALA 162.A O no hydrogen 3.107 N/A VAL 167.A N PHE 163.A O no hydrogen 3.076 N/A ALA 168.A N THR 164.A O no hydrogen 2.963 N/A GLU 169.A N LYS 165.A O no hydrogen 3.184 N/A GLU 169.A N ALA 166.A O no hydrogen 3.210 N/A LYS 173.A N GLU 169.A O no hydrogen 3.324 N/A LYS 174.A N ALA 170.A O no hydrogen 2.925 N/A LEU 175.A N PRO 171.A O no hydrogen 3.167 N/A ARG 176.A N PHE 172.A O no hydrogen 2.986 N/A ASP 177.A N LYS 173.A O no hydrogen 2.990 N/A GLU 178.A N LYS 174.A O no hydrogen 3.125 N/A THR 179.A N LEU 175.A O no hydrogen 3.163 N/A THR 179.A N ARG 176.A O no hydrogen 3.307 N/A THR 179.A OG1 LEU 175.A O no hydrogen 3.302 N/A THR 180.A N ARG 176.A O no hydrogen 2.821 N/A SER 182.A OG GLU 186.A OE2 no hydrogen 3.515 N/A CYS 184.A SG PHE 181.A O no hydrogen 3.570 N/A LEU 185.A N SER 182.A O no hydrogen 3.128 N/A GLU 186.A N PHE 183.A O no hydrogen 3.418 N/A SER 187.A OG ASP 188.A OD2 no hydrogen 3.364 N/A ASP 196.A N ARG 200.A O no hydrogen 3.363 N/A ALA 198.A N ASP 196.A OD1 no hydrogen 2.651 N/A ARG 200.A N ASP 196.A OD2 no hydrogen 3.262 N/A ARG 200.A NE ASP 196.A OD2 no hydrogen 3.488 N/A LEU 202.A N GLY 199.A O no hydrogen 2.964 N/A VAL 205.A N GLY 201.A O no hydrogen 2.815 N/A TRP 206.A N LEU 202.A O no hydrogen 2.683 N/A TRP 206.A NE1 TYR 228.A O no hydrogen 2.766 N/A ARG 207.A N ALA 203.A O no hydrogen 3.143 N/A ARG 208.A N LEU 204.A O no hydrogen 3.084 N/A ARG 208.A NH2 GLY 191.A O no hydrogen 2.801 N/A GLN 209.A N VAL 205.A O no hydrogen 2.792 N/A ILE 210.A N ARG 207.A O no hydrogen 3.257 N/A GLN 212.A N GLN 209.A O no hydrogen 3.395 N/A GLN 212.A NE2 ARG 208.A O no hydrogen 3.058 N/A LEU 213.A N ILE 210.A O no hydrogen 3.436 N/A SER 217.A OG GLU 219.A OE2 no hydrogen 3.324 N/A MET 220.A N SER 217.A OG no hydrogen 3.163 N/A ALA 221.A N SER 217.A O no hydrogen 3.210 N/A SER 222.A N LEU 218.A O no hydrogen 3.144 N/A SER 222.A OG LEU 218.A O no hydrogen 2.917 N/A ALA 223.A N GLU 219.A O no hydrogen 3.185 N/A VAL 224.A N MET 220.A O no hydrogen 3.283 N/A VAL 225.A N ALA 221.A O no hydrogen 3.061 N/A ASN 226.A N SER 222.A O no hydrogen 2.851 N/A ALA 227.A N ALA 223.A O no hydrogen 3.231 N/A TYR 228.A N VAL 224.A O no hydrogen 2.895 N/A LEU 233.A N SER 230.A OG no hydrogen 2.876 N/A LEU 234.A N SER 230.A O no hydrogen 3.219 N/A VAL 235.A N PRO 231.A O no hydrogen 2.927 N/A GLN 236.A N GLN 232.A O no hydrogen 2.975 N/A ALA 237.A N LEU 233.A O no hydrogen 3.317 N/A TYR 238.A N LEU 234.A O no hydrogen 3.225 N/A GLN 239.A N VAL 235.A O no hydrogen 3.270 N/A GLN 239.A NE2 VAL 235.A O no hydrogen 3.631 N/A GLN 240.A N GLN 236.A O no hydrogen 2.938 N/A CYS 241.A N TYR 238.A O no hydrogen 3.399 N/A CYS 241.A SG ALA 237.A O no hydrogen 3.453 N/A ARG 247.A NH1 TYR 238.A O no hydrogen 3.152 N/A ARG 247.A NH2 ASP 244.A OD2 no hydrogen 3.176 N/A ASN 249.A N LYS 245.A O no hydrogen 3.239 N/A LEU 251.A N SER 268.A OG no hydrogen 2.948 N/A ALA 252.A N ASN 249.A O no hydrogen 3.181 N/A ILE 254.A N LEU 251.A O no hydrogen 3.408 N/A VAL 256.A N ARG 261.A O no hydrogen 2.441 N/A ARG 262.A NH2 ASP 253.A OD1 no hydrogen 2.469 N/A GLY 264.A N ALA 252.A O no hydrogen 3.342 N/A SER 268.A OG GLN 248.A O no hydrogen 2.571 N/A ARG 270.A NH1 GLU 266.A OE1 no hydrogen 3.250 N/A ARG 270.A NH2 ASN 214.A O no hydrogen 2.528 N/A ILE 271.A N LEU 267.A O no hydrogen 2.999 N/A TYR 272.A N SER 268.A O no hydrogen 3.081 N/A TYR 272.A OH ASP 244.A OD1 no hydrogen 2.400 N/A LEU 273.A N ARG 269.A O no hydrogen 2.583 N/A GLN 274.A N ARG 270.A O no hydrogen 2.796 N/A MET 275.A N ILE 271.A O no hydrogen 3.130 N/A THR 276.A N TYR 272.A O no hydrogen 3.160 N/A THR 276.A N LEU 273.A O no hydrogen 3.304 N/A THR 276.A OG1 TYR 272.A O no hydrogen 2.586 N/A THR 277.A N LEU 273.A O no hydrogen 3.016 N/A GLN 279.A N THR 277.A OG1 no hydrogen 3.371 N/A LEU 282.A N GLN 279.A O no hydrogen 3.312 N/A