Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLU 82.A OE1 no hydrogen 2.613 N/A ARG 5.A N ASP 185.A OD2 no hydrogen 2.560 N/A ARG 7.A N VAL 164.A O no hydrogen 3.008 N/A ARG 7.A NH1 ILE 4.A O no hydrogen 3.118 N/A ARG 7.A NH1 TRP 6.A O no hydrogen 3.395 N/A ARG 7.A NH2 GLU 3.A OE2 no hydrogen 3.166 N/A ILE 9.A N ASN 162.A O no hydrogen 2.760 N/A GLU 10.A N ILE 11.A O no hydrogen 2.689 N/A TYR 12.A OH TYR 221.A O no hydrogen 3.340 N/A VAL 13.A N VAL 8.A O no hydrogen 2.670 N/A MET 16.A N ASP 14.A OD1 no hydrogen 3.409 N/A GLN 17.A N ASP 14.A O no hydrogen 3.079 N/A GLN 17.A NE2 ASP 14.A OD2 no hydrogen 3.500 N/A LEU 18.A N PRO 15.A O no hydrogen 3.099 N/A TYR 20.A OH GLU 25.A OE1 no hydrogen 2.750 N/A ARG 23.A N ASP 21.A OD1 no hydrogen 3.121 N/A TRP 24.A N ASP 21.A O no hydrogen 3.215 N/A GLU 25.A N SER 22.A O no hydrogen 3.058 N/A PHE 26.A N ALA 101.A O no hydrogen 2.784 N/A ARG 28.A NH1 PRO 107.A O no hydrogen 2.785 N/A ARG 28.A NH2 LYS 104.A O no hydrogen 3.300 N/A ARG 28.A NH2 PRO 107.A O no hydrogen 2.990 N/A GLY 30.A N PRO 27.A O no hydrogen 3.162 N/A LEU 31.A N ARG 28.A O no hydrogen 3.088 N/A VAL 32.A N THR 49.A O no hydrogen 2.899 N/A GLY 34.A N GLU 47.A O no hydrogen 2.527 N/A LEU 37.A N VAL 45.A O no hydrogen 2.666 N/A GLY 38.A N VAL 45.A O no hydrogen 3.176 N/A GLY 40.A N GLY 43.A O no hydrogen 2.822 N/A ALA 41.A N ARG 190.A O no hydrogen 3.290 N/A LYS 44.A N MET 66.A O no hydrogen 2.907 N/A VAL 45.A N GLY 38.A O no hydrogen 2.879 N/A VAL 46.A N VAL 64.A O no hydrogen 3.018 N/A GLU 47.A N ARG 35.A O no hydrogen 2.755 N/A GLY 48.A N VAL 62.A O no hydrogen 2.859 N/A THR 49.A N VAL 32.A O no hydrogen 2.806 N/A ALA 50.A N MET 60.A O no hydrogen 2.763 N/A TYR 51.A N GLY 30.A O no hydrogen 2.823 N/A GLY 52.A N PRO 58.A O no hydrogen 2.721 N/A SER 54.A OG SER 56.A OG no hydrogen 3.185 N/A SER 54.A OG ASP 322.A O no hydrogen 3.407 N/A SER 56.A OG SER 54.A OG no hydrogen 3.185 N/A GLN 57.A N SER 54.A OG no hydrogen 3.106 N/A MET 60.A N ALA 50.A O no hydrogen 2.995 N/A LYS 61.A NZ GLU 47.A OE1 no hydrogen 3.378 N/A LYS 61.A NZ TYR 114.A OH no hydrogen 3.377 N/A VAL 62.A N GLY 48.A O no hydrogen 2.782 N/A ALA 63.A N ILE 112.A O no hydrogen 2.909 N/A VAL 64.A N VAL 46.A O no hydrogen 2.923 N/A LYS 65.A N ILE 110.A O no hydrogen 2.777 N/A LYS 65.A NZ GLU 82.A OE2 no hydrogen 2.580 N/A LYS 65.A NZ ASP 185.A O no hydrogen 2.969 N/A MET 66.A N LYS 44.A O no hydrogen 3.100 N/A LYS 68.A N PHE 42.A O no hydrogen 2.957 N/A LYS 68.A NZ ALA 41.A O no hydrogen 2.996 N/A ALA 71.A N LYS 68.A O no hydrogen 2.960 N/A ARG 72.A N GLU 75.A OE2 no hydrogen 2.708 N/A LYS 76.A N ARG 72.A O no hydrogen 3.047 N/A LYS 76.A NZ GLY 106.A O no hydrogen 3.568 N/A GLN 77.A N SER 73.A O no hydrogen 3.034 N/A ALA 78.A N SER 74.A O no hydrogen 3.231 N/A LEU 79.A N GLU 75.A O no hydrogen 3.202 N/A MET 80.A N LYS 76.A O no hydrogen 3.152 N/A SER 81.A N GLN 77.A O no hydrogen 2.933 N/A SER 81.A OG GLN 77.A O no hydrogen 3.318 N/A GLU 82.A N ALA 78.A O no hydrogen 3.061 N/A LEU 83.A N LEU 79.A O no hydrogen 3.036 N/A LYS 84.A N MET 80.A O no hydrogen 2.843 N/A LYS 84.A NZ LEU 18.A O no hydrogen 3.245 N/A ILE 85.A N SER 81.A O no hydrogen 2.937 N/A MET 86.A N GLU 82.A O no hydrogen 3.041 N/A THR 87.A N LEU 83.A O no hydrogen 3.207 N/A THR 87.A OG1 LYS 84.A O no hydrogen 2.967 N/A HIS 88.A N LYS 84.A O no hydrogen 2.979 N/A LEU 89.A N ILE 85.A O no hydrogen 2.939 N/A GLY 90.A N MET 86.A O no hydrogen 3.184 N/A HIS 92.A N ASN 97.A OD1 no hydrogen 3.048 N/A ASN 94.A N HIS 92.A ND1 no hydrogen 3.067 N/A ASN 94.A ND2 GLN 150.A OE1 no hydrogen 2.992 N/A ASN 94.A ND2 VAL 181.A O no hydrogen 2.900 N/A ILE 95.A N HIS 92.A O no hydrogen 3.415 N/A VAL 96.A N ILE 183.A O no hydrogen 2.762 N/A ASN 97.A N GLU 113.A OE1 no hydrogen 3.083 N/A ASN 97.A ND2 HIS 92.A O no hydrogen 2.731 N/A ASN 97.A ND2 GLU 113.A OE1 no hydrogen 2.881 N/A LEU 99.A N ILE 111.A O no hydrogen 2.805 N/A GLY 100.A N ILE 111.A O no hydrogen 3.300 N/A ALA 101.A N TRP 24.A O no hydrogen 2.969 N/A CYS 102.A N TYR 109.A O no hydrogen 2.942 N/A CYS 102.A SG PHE 26.A O no hydrogen 3.215 N/A THR 103.A N GLU 25.A OE2 no hydrogen 2.726 N/A THR 103.A OG1 GLU 25.A OE1 no hydrogen 2.567 N/A THR 103.A OG1 GLU 25.A OE2 no hydrogen 3.399 N/A TYR 109.A N CYS 102.A O no hydrogen 3.081 N/A ILE 110.A N LYS 65.A O no hydrogen 3.006 N/A ILE 111.A N GLY 100.A O no hydrogen 2.848 N/A ILE 112.A N ALA 63.A O no hydrogen 2.783 N/A GLU 113.A N ASN 97.A O no hydrogen 3.063 N/A TYR 117.A N LEU 175.A O no hydrogen 2.862 N/A TYR 117.A OH ASP 138.A OD1 no hydrogen 2.584 N/A GLY 118.A N CYS 115.A O no hydrogen 3.311 N/A LEU 120.A N VAL 173.A O no hydrogen 2.733 N/A ASN 122.A N ASP 119.A OD2 no hydrogen 3.031 N/A ASN 122.A ND2 ASP 119.A OD1 no hydrogen 2.498 N/A TYR 123.A N ASP 119.A O no hydrogen 3.066 N/A LEU 124.A N LEU 120.A O no hydrogen 2.842 N/A HIS 125.A N VAL 121.A O no hydrogen 2.984 N/A HIS 125.A NE2 GLY 241.A O no hydrogen 2.848 N/A LYS 126.A N ASN 122.A O no hydrogen 2.912 N/A ASN 127.A N TYR 123.A O no hydrogen 3.173 N/A ASN 127.A ND2 TYR 123.A O no hydrogen 2.791 N/A ARG 128.A NE LEU 240.A O no hydrogen 2.839 N/A ARG 128.A NH2 LEU 240.A O no hydrogen 2.774 N/A SER 130.A OG ASN 127.A O no hydrogen 3.117 N/A PHE 131.A N ARG 128.A O no hydrogen 3.150 N/A LEU 135.A N VAL 132.A O no hydrogen 3.159 N/A SER 137.A OG ASN 134.A O no hydrogen 3.086 N/A LEU 139.A N SER 130.A OG no hydrogen 3.262 N/A THR 140.A N ASP 143.A OD2 no hydrogen 3.063 N/A THR 140.A OG1 ASP 143.A OD2 no hydrogen 2.792 N/A LEU 144.A N THR 140.A O no hydrogen 3.201 N/A LEU 145.A N LEU 141.A O no hydrogen 2.859 N/A SER 146.A N LEU 142.A O no hydrogen 2.804 N/A SER 146.A OG TYR 307.A OH no hydrogen 2.739 N/A PHE 147.A N ASP 143.A O no hydrogen 3.001 N/A THR 148.A N LEU 144.A O no hydrogen 2.980 N/A THR 148.A OG1 LEU 144.A O no hydrogen 2.840 N/A TYR 149.A N LEU 145.A O no hydrogen 2.904 N/A GLN 150.A N SER 146.A O no hydrogen 3.021 N/A GLN 150.A NE2 SER 146.A OG no hydrogen 3.156 N/A GLN 150.A NE2 LYS 179.A O no hydrogen 3.037 N/A VAL 151.A N PHE 147.A O no hydrogen 3.059 N/A ALA 152.A N THR 148.A O no hydrogen 3.294 N/A ARG 153.A N TYR 149.A O no hydrogen 2.929 N/A ARG 153.A NH1 TYR 149.A OH no hydrogen 2.834 N/A ARG 153.A NH1 GLU 312.A OE2 no hydrogen 3.410 N/A GLY 154.A N GLN 150.A O no hydrogen 2.847 N/A MET 155.A N VAL 151.A O no hydrogen 2.810 N/A GLU 156.A N ALA 152.A O no hydrogen 2.764 N/A PHE 157.A N ARG 153.A O no hydrogen 3.046 N/A LEU 158.A N GLY 154.A O no hydrogen 3.121 N/A ALA 159.A N MET 155.A O no hydrogen 2.806 N/A SER 160.A N GLU 156.A O no hydrogen 2.935 N/A SER 160.A OG PHE 157.A O no hydrogen 2.602 N/A LYS 161.A N PHE 157.A O no hydrogen 3.193 N/A LYS 161.A N LEU 158.A O no hydrogen 3.095 N/A ASN 162.A N ALA 159.A O no hydrogen 2.966 N/A CYS 163.A N LEU 158.A O no hydrogen 2.933 N/A CYS 163.A SG ARG 7.A O no hydrogen 3.812 N/A CYS 163.A SG VAL 164.A O no hydrogen 3.976 N/A VAL 164.A N ARG 7.A O no hydrogen 2.732 N/A HIS 165.A N ASP 226.A OD2 no hydrogen 2.757 N/A HIS 165.A NE2 CYS 184.A O no hydrogen 2.952 N/A ARG 166.A N ASP 226.A OD1 no hydrogen 3.151 N/A ARG 166.A NE ARG 5.A O no hydrogen 2.866 N/A ARG 166.A NH2 ARG 5.A O no hydrogen 3.410 N/A ASP 167.A N HIS 165.A ND1 no hydrogen 3.086 N/A ALA 170.A N GLU 236.A OE1 no hydrogen 2.957 N/A ARG 171.A NE TYR 198.A OH no hydrogen 2.945 N/A ARG 171.A NH2 ASP 167.A OD1 no hydrogen 2.995 N/A ARG 171.A NH2 TYR 198.A OH no hydrogen 3.569 N/A ASN 172.A N ALA 169.A O no hydrogen 2.888 N/A ASN 172.A ND2 ASP 167.A O no hydrogen 2.523 N/A VAL 173.A N ALA 170.A O no hydrogen 3.219 N/A LEU 174.A N LYS 182.A O no hydrogen 2.899 N/A LEU 175.A N GLY 118.A O no hydrogen 2.817 N/A ALA 176.A N ILE 180.A O no hydrogen 2.857 N/A GLY 178.A N ASP 138.A OD1 no hydrogen 2.817 N/A GLY 178.A N ASP 138.A OD2 no hydrogen 3.166 N/A LYS 179.A NZ SER 137.A O no hydrogen 3.294 N/A ILE 180.A N ALA 176.A O no hydrogen 3.368 N/A VAL 181.A N GLN 150.A OE1 no hydrogen 2.818 N/A LYS 182.A N LEU 174.A O no hydrogen 2.792 N/A LYS 182.A NZ LEU 93.A O no hydrogen 2.762 N/A LYS 182.A NZ GLU 113.A OE1 no hydrogen 2.808 N/A LYS 182.A NZ GLU 113.A OE2 no hydrogen 3.411 N/A ILE 183.A N ASN 94.A O no hydrogen 2.964 N/A CYS 184.A N ASN 172.A O no hydrogen 2.972 N/A CYS 184.A SG ASN 172.A O no hydrogen 3.591 N/A PHE 186.A N ASN 172.A OD1 no hydrogen 3.132 N/A GLY 187.A N ASP 185.A OD1 no hydrogen 3.062 N/A ALA 189.A N PHE 186.A O no hydrogen 3.073 N/A ARG 190.A N GLY 187.A O no hydrogen 3.073 N/A ARG 190.A NH1 ASN 172.A OD1 no hydrogen 3.316 N/A ARG 190.A NH2 ASN 172.A OD1 no hydrogen 2.718 N/A MET 193.A N ASP 191.A OD1 no hydrogen 3.167 N/A HIS 194.A N ASP 191.A O no hydrogen 2.936 N/A ASN 197.A N ASP 195.A OD1 no hydrogen 2.851 N/A TYR 198.A N ASP 195.A O no hydrogen 2.977 N/A TYR 198.A OH ASP 167.A OD2 no hydrogen 2.548 N/A VAL 199.A N LEU 206.A O no hydrogen 2.807 N/A LYS 201.A N THR 204.A O no hydrogen 2.891 N/A SER 203.A OG SER 203.A O no hydrogen 2.397 N/A THR 204.A N LYS 201.A O no hydrogen 3.407 N/A PHE 205.A N THR 204.A OG1 no hydrogen 2.578 N/A LEU 206.A N VAL 199.A O no hydrogen 2.852 N/A VAL 208.A N LEU 206.A O no hydrogen 2.859 N/A LYS 209.A NZ PRO 244.A O no hydrogen 2.905 N/A LYS 209.A NZ TYR 245.A O no hydrogen 3.447 N/A LYS 209.A NZ MET 248.A O no hydrogen 3.500 N/A TRP 210.A N PRO 207.A O no hydrogen 2.964 N/A TRP 210.A NE1 GLU 236.A OE1 no hydrogen 2.697 N/A MET 211.A N VAL 208.A O no hydrogen 2.958 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.833 N/A SER 215.A N ALA 212.A O no hydrogen 3.018 N/A SER 215.A OG LEU 220.A O no hydrogen 2.585 N/A ILE 216.A N ALA 212.A O no hydrogen 3.111 N/A PHE 217.A N PRO 213.A O no hydrogen 2.900 N/A ASP 218.A N GLU 214.A O no hydrogen 2.979 N/A ASN 219.A N SER 215.A O no hydrogen 3.194 N/A LEU 220.A N GLU 214.A O no hydrogen 3.135 N/A THR 222.A N SER 225.A OG no hydrogen 2.792 N/A SER 225.A N THR 222.A OG1 no hydrogen 3.261 N/A SER 225.A OG THR 222.A O no hydrogen 2.426 N/A ASP 226.A N THR 222.A O no hydrogen 3.076 N/A VAL 227.A N THR 223.A O no hydrogen 2.997 N/A TRP 228.A N LEU 224.A O no hydrogen 3.309 N/A SER 229.A N SER 225.A O no hydrogen 3.126 N/A SER 229.A OG TRP 210.A O no hydrogen 2.627 N/A SER 229.A OG SER 225.A O no hydrogen 3.320 N/A TYR 230.A N ASP 226.A O no hydrogen 2.704 N/A TYR 230.A OH THR 148.A O no hydrogen 2.784 N/A GLY 231.A N VAL 227.A O no hydrogen 2.969 N/A ILE 232.A N TRP 228.A O no hydrogen 3.109 N/A LEU 233.A N SER 229.A O no hydrogen 2.791 N/A LEU 234.A N TYR 230.A O no hydrogen 2.881 N/A TRP 235.A N GLY 231.A O no hydrogen 3.121 N/A TRP 235.A NE1 ALA 265.A O no hydrogen 3.248 N/A GLU 236.A N ILE 232.A O no hydrogen 3.020 N/A ILE 237.A N LEU 233.A O no hydrogen 2.975 N/A PHE 238.A N LEU 234.A O no hydrogen 3.006 N/A SER 239.A N TRP 235.A O no hydrogen 2.997 N/A SER 239.A OG TRP 235.A O no hydrogen 2.744 N/A SER 239.A OG GLU 236.A O no hydrogen 3.114 N/A LEU 240.A N ILE 237.A O no hydrogen 2.869 N/A GLY 241.A N GLU 236.A O no hydrogen 2.862 N/A GLY 242.A N SER 239.A OG no hydrogen 2.980 N/A MET 248.A N TYR 245.A O no hydrogen 3.184 N/A PHE 254.A N ASP 251.A OD1 no hydrogen 3.002 N/A TYR 255.A N ASP 251.A O no hydrogen 3.285 N/A ASN 256.A N SER 252.A O no hydrogen 3.406 N/A LYS 257.A N THR 253.A O no hydrogen 2.908 N/A ILE 258.A N PHE 254.A O no hydrogen 3.062 N/A LYS 259.A N TYR 255.A O no hydrogen 3.012 N/A SER 260.A N ASN 256.A O no hydrogen 2.836 N/A SER 260.A OG ASN 256.A O no hydrogen 3.437 N/A SER 260.A OG LYS 257.A O no hydrogen 2.773 N/A GLY 261.A N ILE 258.A O no hydrogen 2.978 N/A TYR 262.A N LYS 257.A O no hydrogen 3.102 N/A ARG 263.A NE TRP 282.A O no hydrogen 2.811 N/A ARG 263.A NH1 ILE 258.A O no hydrogen 2.911 N/A ARG 263.A NH1 TYR 262.A O no hydrogen 2.823 N/A ARG 263.A NH2 TRP 282.A O no hydrogen 2.895 N/A LYS 266.A NZ PRO 267.A O no hydrogen 3.052 N/A LYS 266.A NZ ALA 270.A O no hydrogen 2.979 N/A ALA 270.A N PRO 267.A O no hydrogen 3.272 N/A THR 271.A OG1 GLU 273.A OE1 no hydrogen 3.551 N/A VAL 274.A N THR 271.A OG1 no hydrogen 3.151 N/A TYR 275.A N THR 271.A O no hydrogen 2.950 N/A TYR 275.A OH MET 264.A O no hydrogen 2.733 N/A GLU 276.A N SER 272.A O no hydrogen 3.073 N/A ILE 277.A N GLU 273.A O no hydrogen 3.185 N/A MET 278.A N VAL 274.A O no hydrogen 3.195 N/A VAL 279.A N TYR 275.A O no hydrogen 2.910 N/A LYS 280.A N GLU 276.A O no hydrogen 3.035 N/A CYS 281.A N ILE 277.A O no hydrogen 2.949 N/A CYS 281.A SG ILE 277.A O no hydrogen 3.244 N/A TRP 282.A N MET 278.A O no hydrogen 3.023 N/A TRP 282.A N VAL 279.A O no hydrogen 3.190 N/A ASN 283.A N LYS 280.A O no hydrogen 3.356 N/A ASN 283.A ND2.B LYS 280.A O no hydrogen 3.065 N/A ASN 283.A ND2.B LYS 288.A O no hydrogen 3.539 N/A LYS 288.A N GLU 285.A O no hydrogen 3.036 N/A ARG 289.A N PRO 286.A O no hydrogen 3.048 N/A ARG 289.A NE ASN 283.A O no hydrogen 2.807 N/A ARG 289.A NH1 GLU 214.A OE2 no hydrogen 2.653 N/A ARG 289.A NH1 LEU 224.A O no hydrogen 2.920 N/A ARG 289.A NH2 GLU 214.A OE1 no hydrogen 2.915 N/A ARG 289.A NH2 ASN 283.A O no hydrogen 3.016 N/A SER 291.A OG HIS 294.A ND1 no hydrogen 3.244 N/A HIS 294.A N SER 291.A OG no hydrogen 3.205 N/A LEU 295.A N SER 291.A O no hydrogen 2.856 N/A SER 296.A N PHE 292.A O no hydrogen 2.906 N/A SER 296.A OG.A GLU 156.A OE1 no hydrogen 3.325 N/A SER 296.A OG.A PHE 292.A O no hydrogen 3.066 N/A SER 296.A OG.B GLU 156.A OE1 no hydrogen 3.277 N/A SER 296.A OG.B PHE 292.A O no hydrogen 3.448 N/A SER 296.A OG.B TYR 293.A O no hydrogen 2.450 N/A GLU 297.A N TYR 293.A O no hydrogen 3.073 N/A ILE 298.A N HIS 294.A O no hydrogen 2.857 N/A VAL 299.A N LEU 295.A O no hydrogen 2.937 N/A GLU 300.A N SER 296.A O no hydrogen 2.961 N/A ASN 301.A N GLU 297.A O no hydrogen 3.274 N/A LEU 302.A N VAL 299.A O no hydrogen 2.897 N/A LEU 303.A N GLU 300.A O no hydrogen 3.169 N/A TYR 307.A N PRO 304.A O no hydrogen 2.949 N/A TYR 307.A OH SER 146.A OG no hydrogen 2.739 N/A LYS 308.A NZ GLU 312.A OE2 no hydrogen 3.125 N/A SER 310.A N GLN 306.A O no hydrogen 3.004 N/A SER 310.A OG GLN 306.A O no hydrogen 3.155 N/A TYR 311.A N TYR 307.A O no hydrogen 2.772 N/A TYR 311.A OH ASN 94.A OD1 no hydrogen 2.550 N/A GLU 312.A N LYS 308.A O no hydrogen 3.103 N/A LYS 313.A N LYS 309.A O no hydrogen 3.088 N/A LYS 313.A NZ ASP 317.A OD1 no hydrogen 3.292 N/A ILE 314.A N SER 310.A O no hydrogen 3.229 N/A HIS 315.A N TYR 311.A O no hydrogen 2.779 N/A LEU 316.A N GLU 312.A O no hydrogen 2.644 N/A ASP 317.A N LYS 313.A O no hydrogen 2.979 N/A PHE 318.A N ILE 314.A O no hydrogen 2.989 N/A LEU 319.A N HIS 315.A O no hydrogen 3.059 N/A LYS 320.A N LEU 316.A O no hydrogen 2.976 N/A SER 321.A N PHE 318.A O no hydrogen 3.365 N/A