Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qa2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 111.A O no hydrogen 2.792 N/A TYR 5.A N ARG 42.A O no hydrogen 2.840 N/A TYR 5.A OH HIS 29.A ND1 no hydrogen 2.773 N/A ILE 6.A N ILE 113.A O no hydrogen 2.974 N/A TYR 7.A N VAL 44.A O no hydrogen 3.046 N/A TYR 11.A N SER 8.A OG no hydrogen 2.944 N/A TYR 11.A OH ASN 114.A OD1 no hydrogen 2.654 N/A VAL 12.A N SER 8.A O no hydrogen 3.074 N/A SER 13.A N PRO 9.A O no hydrogen 3.142 N/A MET 14.A N GLU 10.A O no hydrogen 2.969 N/A CYS 15.A N TYR 11.A O no hydrogen 2.983 N/A CYS 15.A SG TYR 11.A O no hydrogen 3.229 N/A ASP 16.A N VAL 12.A O no hydrogen 2.936 N/A SER 17.A N MET 14.A O no hydrogen 3.215 N/A SER 17.A OG MET 14.A O no hydrogen 2.448 N/A LEU 18.A N CYS 15.A O no hydrogen 3.493 N/A ILE 21.A N LEU 18.A O no hydrogen 2.993 N/A LYS 23.A N ASP 16.A O no hydrogen 3.394 N/A ARG 24.A N ILE 21.A O no hydrogen 3.351 N/A ARG 24.A NH1 GLY 281.A O no hydrogen 2.937 N/A ARG 24.A NH1 GLY 283.A O no hydrogen 3.066 N/A ARG 24.A NH2 GLY 281.A O no hydrogen 2.983 N/A SER 26.A N ASP 16.A OD2 no hydrogen 2.961 N/A SER 26.A OG ASP 16.A OD1 no hydrogen 2.442 N/A SER 26.A OG ASP 16.A OD2 no hydrogen 3.516 N/A MET 27.A N LYS 23.A O no hydrogen 3.098 N/A VAL 28.A N ARG 24.A O no hydrogen 2.972 N/A HIS 29.A N ALA 25.A O no hydrogen 3.067 N/A HIS 29.A ND1 TYR 5.A OH no hydrogen 2.773 N/A SER 30.A N SER 26.A O no hydrogen 2.742 N/A LEU 31.A N MET 27.A O no hydrogen 3.220 N/A ILE 32.A N VAL 28.A O no hydrogen 3.152 N/A GLU 33.A N HIS 29.A O no hydrogen 2.723 N/A ALA 34.A N SER 30.A O no hydrogen 2.737 N/A TYR 35.A N LEU 31.A O no hydrogen 3.082 N/A TYR 35.A N ILE 32.A O no hydrogen 3.234 N/A TYR 35.A OH SER 306.A O no hydrogen 2.905 N/A ALA 36.A N GLU 33.A O no hydrogen 2.772 N/A LEU 37.A N ILE 32.A O no hydrogen 3.142 N/A GLN 40.A N LEU 37.A O no hydrogen 2.964 N/A MET 41.A N HIS 38.A O no hydrogen 3.274 N/A ARG 42.A N PRO 3.A O no hydrogen 2.869 N/A VAL 44.A N TYR 5.A O no hydrogen 3.117 N/A LYS 47.A N THR 99.A OG1 no hydrogen 3.110 N/A ALA 49.A N ALA 91.A O no hydrogen 3.044 N/A SER 50.A N GLU 53.A OE1 no hydrogen 2.966 N/A SER 50.A OG GLU 52.A OE1 no hydrogen 3.471 N/A SER 50.A OG GLU 53.A OE1 no hydrogen 3.337 N/A GLU 53.A N SER 50.A OG no hydrogen 3.206 N/A MET 54.A N SER 50.A O no hydrogen 3.066 N/A ALA 55.A N MET 51.A O no hydrogen 3.077 N/A ALA 55.A N GLU 52.A O no hydrogen 3.225 N/A THR 56.A N GLU 53.A O no hydrogen 3.363 N/A THR 56.A OG1 GLU 53.A O no hydrogen 2.637 N/A PHE 57.A N MET 54.A O no hydrogen 3.496 N/A HIS 58.A N MET 54.A O no hydrogen 3.123 N/A THR 59.A N LYS 124.A O no hydrogen 2.894 N/A TYR 62.A N THR 59.A OG1 no hydrogen 3.243 N/A TYR 62.A OH TYR 132.A O no hydrogen 2.641 N/A LEU 63.A N THR 59.A O no hydrogen 2.961 N/A GLN 64.A N ASP 60.A O no hydrogen 2.883 N/A HIS 65.A N ALA 61.A O no hydrogen 3.072 N/A LEU 66.A N TYR 62.A O no hydrogen 2.819 N/A GLN 67.A N LEU 63.A O no hydrogen 3.066 N/A LYS 68.A N GLN 64.A O no hydrogen 2.863 N/A VAL 69.A N HIS 65.A O no hydrogen 2.890 N/A SER 70.A N LEU 66.A O no hydrogen 2.948 N/A GLN 71.A N GLN 67.A O no hydrogen 2.689 N/A GLU 72.A N LYS 68.A O no hydrogen 3.034 N/A CYS 80.A SG CYS 131.A O no hydrogen 3.692 N/A GLY 85.A N SER 70.A O no hydrogen 3.213 N/A PHE 87.A N SER 70.A OG no hydrogen 3.009 N/A TYR 89.A N GLY 85.A O no hydrogen 3.173 N/A ALA 90.A N ILE 86.A O no hydrogen 2.993 N/A ALA 91.A N PHE 87.A O no hydrogen 2.859 N/A ALA 92.A N ASP 88.A O no hydrogen 3.049 N/A ILE 93.A N TYR 89.A O no hydrogen 3.318 N/A GLY 94.A N ALA 90.A O no hydrogen 3.081 N/A GLY 95.A N ALA 91.A O no hydrogen 2.926 N/A ALA 96.A N ALA 92.A O no hydrogen 2.976 N/A THR 97.A N ILE 93.A O no hydrogen 3.035 N/A THR 97.A OG1 ILE 93.A O no hydrogen 3.354 N/A THR 97.A OG1 ASP 135.A OD2 no hydrogen 2.687 N/A ILE 98.A N GLY 94.A O no hydrogen 3.064 N/A THR 99.A N GLY 95.A O no hydrogen 2.881 N/A THR 99.A OG1 GLY 95.A O no hydrogen 2.535 N/A ALA 100.A N ALA 96.A O no hydrogen 3.099 N/A ALA 101.A N THR 97.A O no hydrogen 2.961 N/A GLN 102.A N ILE 98.A O no hydrogen 2.795 N/A GLN 102.A NE2 ASP 106.A OD1 no hydrogen 3.057 N/A CYS 103.A N THR 99.A O no hydrogen 2.989 N/A CYS 103.A SG THR 99.A O no hydrogen 3.228 N/A LEU 104.A N ALA 100.A O no hydrogen 3.175 N/A ILE 105.A N ALA 101.A O no hydrogen 3.040 N/A ASP 106.A N GLN 102.A O no hydrogen 2.982 N/A GLY 107.A N LEU 104.A O no hydrogen 3.266 N/A MET 108.A N CYS 103.A O no hydrogen 3.191 N/A CYS 109.A SG VAL 111.A O no hydrogen 3.614 N/A LYS 110.A NZ GLN 273.A O no hydrogen 3.227 N/A ALA 112.A N THR 276.A O no hydrogen 2.985 N/A ILE 113.A N VAL 4.A O no hydrogen 2.807 N/A ASN 114.A N ILE 278.A O no hydrogen 2.775 N/A ASN 114.A ND2 THR 97.A OG1 no hydrogen 2.893 N/A TRP 115.A NE1 THR 297.A OG1 no hydrogen 3.092 N/A GLY 117.A N ASN 114.A O no hydrogen 3.067 N/A GLY 118.A N ASP 135.A OD1 no hydrogen 3.106 N/A GLY 118.A N ASP 135.A OD2 no hydrogen 2.797 N/A TRP 119.A N ASP 135.A OD1 no hydrogen 2.843 N/A TRP 119.A NE1 SER 116.A O no hydrogen 2.917 N/A HIS 120.A ND1 ASP 154.A OD2 no hydrogen 2.389 N/A HIS 121.A ND1 ASP 161.A OD2 no hydrogen 2.698 N/A LYS 123.A N GLU 126.A O no hydrogen 2.841 N/A LYS 123.A NZ GLU 126.A OE1 no hydrogen 2.768 N/A ALA 127.A N TYR 74.A O no hydrogen 3.000 N/A SER 128.A N CYS 131.A O no hydrogen 2.875 N/A CYS 131.A N SER 128.A O no hydrogen 2.898 N/A CYS 131.A SG GLY 129.A O no hydrogen 3.390 N/A TYR 132.A OH PRO 81.A O no hydrogen 2.779 N/A ASN 134.A N HIS 58.A NE2 no hydrogen 3.081 N/A ASN 134.A ND2 ALA 122.A O no hydrogen 2.831 N/A VAL 137.A N ASN 134.A OD1 no hydrogen 3.099 N/A LEU 138.A N ASN 134.A O no hydrogen 3.223 N/A GLY 139.A N ASP 135.A O no hydrogen 2.839 N/A ILE 140.A N ALA 136.A O no hydrogen 3.009 N/A LEU 141.A N VAL 137.A O no hydrogen 2.862 N/A ARG 142.A N LEU 138.A O no hydrogen 3.129 N/A ARG 142.A NH1 GLU 53.A OE2 no hydrogen 3.222 N/A ARG 142.A NH2 GLN 102.A OE1 no hydrogen 2.989 N/A LEU 143.A N GLY 139.A O no hydrogen 3.132 N/A ARG 144.A N ILE 140.A O no hydrogen 2.946 N/A ARG 144.A NH1 PHE 147.A O no hydrogen 3.109 N/A ARG 145.A N ARG 142.A O no hydrogen 3.210 N/A LYS 146.A N LEU 143.A O no hydrogen 3.058 N/A PHE 147.A N LEU 143.A O no hydrogen 2.956 N/A ARG 149.A NE PHE 233.A O no hydrogen 3.051 N/A ARG 149.A NE ASN 234.A O no hydrogen 2.729 N/A ARG 149.A NH2 ASN 234.A O no hydrogen 2.920 N/A ILE 150.A N LYS 172.A O no hydrogen 2.975 N/A LEU 151.A N ALA 237.A O no hydrogen 2.972 N/A TYR 152.A N MET 174.A O no hydrogen 2.736 N/A TYR 152.A OH ASP 154.A OD2 no hydrogen 2.528 N/A VAL 153.A N VAL 239.A O no hydrogen 2.787 N/A ASP 154.A N VAL 176.A O no hydrogen 2.748 N/A LEU 155.A N GLN 241.A O no hydrogen 2.846 N/A ASP 156.A N ASP 154.A OD1 no hydrogen 3.117 N/A LEU 157.A N ASP 245.A OD2 no hydrogen 3.027 N/A HIS 158.A N ASP 156.A OD2 no hydrogen 2.753 N/A HIS 158.A ND1 ASP 156.A OD2 no hydrogen 3.198 N/A HIS 159.A ND1 THR 189.A OG1 no hydrogen 2.943 N/A HIS 159.A NE2 GLU 164.A OE1 no hydrogen 3.093 N/A ASP 161.A N HIS 159.A O no hydrogen 2.831 N/A GLU 164.A N GLY 160.A O no hydrogen 3.148 N/A ASP 165.A N ASP 161.A O no hydrogen 2.895 N/A ALA 166.A N GLY 162.A O no hydrogen 3.236 N/A PHE 167.A N VAL 163.A O no hydrogen 3.364 N/A PHE 167.A N GLU 164.A O no hydrogen 3.187 N/A SER 168.A N ASP 165.A O no hydrogen 3.454 N/A SER 168.A OG ASP 165.A O no hydrogen 2.957 N/A THR 170.A N PHE 167.A O no hydrogen 3.135 N/A LYS 172.A N THR 170.A OG1 no hydrogen 3.196 N/A LYS 172.A NZ GLU 148.A O no hydrogen 3.284 N/A LYS 172.A NZ GLU 148.A OE2 no hydrogen 2.804 N/A MET 174.A N ILE 150.A O no hydrogen 2.915 N/A THR 175.A N TYR 203.A O no hydrogen 3.305 N/A VAL 176.A N TYR 152.A O no hydrogen 2.624 N/A SER 177.A N VAL 205.A O no hydrogen 2.919 N/A SER 177.A OG HIS 179.A ND1 no hydrogen 2.667 N/A LEU 178.A N ASP 154.A O no hydrogen 2.991 N/A HIS 179.A N VAL 207.A O no hydrogen 3.313 N/A HIS 179.A ND1 SER 177.A OG no hydrogen 2.667 N/A HIS 179.A NE2 GLY 190.A O no hydrogen 2.619 N/A LYS 180.A N LEU 157.A O no hydrogen 2.839 N/A LYS 180.A NZ ASP 211.A OD1 no hydrogen 2.864 N/A LYS 180.A NZ ASP 211.A OD2 no hydrogen 3.205 N/A PHE 181.A N ILE 209.A O no hydrogen 3.096 N/A PHE 185.A N SER 182.A O no hydrogen 2.886 N/A THR 189.A OG1 HIS 159.A ND1 no hydrogen 2.943 N/A GLY 190.A N ASP 194.A OD2 no hydrogen 3.265 N/A ASP 191.A N ASP 194.A OD2 no hydrogen 3.147 N/A VAL 192.A N ASP 191.A OD2 no hydrogen 2.682 N/A ASP 194.A N ASP 191.A O no hydrogen 3.074 N/A LEU 197.A N SER 168.A O no hydrogen 2.954 N/A GLY 200.A N LEU 197.A O no hydrogen 2.897 N/A ARG 201.A N GLY 198.A O no hydrogen 3.165 N/A TYR 203.A N GLY 200.A O no hydrogen 2.935 N/A SER 204.A N VAL 195.A O no hydrogen 3.079 N/A VAL 205.A N THR 175.A O no hydrogen 2.691 N/A ASN 206.A ND2 GLU 164.A OE1 no hydrogen 2.812 N/A ASN 206.A ND2 ASP 194.A O no hydrogen 3.055 N/A VAL 207.A N SER 177.A O no hydrogen 2.832 N/A ILE 209.A N HIS 179.A O no hydrogen 2.897 N/A GLN 210.A N ASN 335.A OD1 no hydrogen 2.814 N/A GLN 210.A NE2 PHE 181.A O no hydrogen 3.022 N/A GLY 212.A N SER 254.A O no hydrogen 2.911 N/A TYR 218.A N GLN 214.A O no hydrogen 3.085 N/A TYR 219.A N ASP 215.A O no hydrogen 2.998 N/A TYR 219.A OH GLU 223.A OE2 no hydrogen 2.796 N/A GLN 220.A N GLU 216.A O no hydrogen 3.103 N/A ASN 221.A N LYS 217.A O no hydrogen 3.145 N/A CYS 222.A N TYR 218.A O no hydrogen 2.828 N/A GLU 223.A N TYR 219.A O no hydrogen 2.668 N/A SER 224.A N GLN 220.A O no hydrogen 3.166 N/A SER 224.A OG GLN 220.A O no hydrogen 3.011 N/A SER 224.A OG ASN 221.A O no hydrogen 2.933 N/A VAL 225.A N ASN 221.A O no hydrogen 3.310 N/A LEU 226.A N CYS 222.A O no hydrogen 2.968 N/A LYS 227.A N GLU 223.A O no hydrogen 2.753 N/A GLU 228.A N SER 224.A O no hydrogen 3.436 N/A VAL 229.A N VAL 225.A O no hydrogen 2.945 N/A TYR 230.A N LEU 226.A O no hydrogen 2.875 N/A GLN 231.A N LYS 227.A O no hydrogen 3.325 N/A ALA 232.A N GLU 228.A O no hydrogen 2.962 N/A PHE 233.A N VAL 229.A O no hydrogen 2.809 N/A ASN 234.A N TYR 230.A O no hydrogen 2.922 N/A LYS 236.A N ARG 149.A O no hydrogen 2.904 N/A VAL 238.A N ALA 275.A O no hydrogen 2.806 N/A VAL 239.A N LEU 151.A O no hydrogen 2.826 N/A LEU 240.A N LEU 277.A O no hydrogen 2.846 N/A GLN 241.A N VAL 153.A O no hydrogen 2.720 N/A GLN 241.A NE2 GLY 118.A O no hydrogen 2.814 N/A GLN 241.A NE2 ASP 156.A OD1 no hydrogen 3.230 N/A LEU 242.A N LEU 279.A O no hydrogen 2.910 N/A GLY 243.A N GLN 241.A OE1 no hydrogen 2.942 N/A ALA 244.A N GLY 282.A O no hydrogen 2.609 N/A ILE 247.A N ALA 244.A O no hydrogen 3.222 N/A ALA 248.A N MET 257.A O no hydrogen 2.861 N/A ASP 250.A N ILE 247.A O no hydrogen 3.121 N/A MET 252.A N ASP 250.A OD2 no hydrogen 3.007 N/A CYS 253.A N ASP 250.A O no hydrogen 2.822 N/A SER 254.A OG MET 252.A O no hydrogen 3.383 N/A ASN 256.A N ILE 213.A O no hydrogen 2.968 N/A ASN 256.A ND2 SER 329.A O no hydrogen 2.810 N/A MET 257.A N THR 246.A O no hydrogen 3.249 N/A THR 258.A N ASP 215.A OD1 no hydrogen 2.949 N/A THR 258.A OG1 ASP 215.A OD1 no hydrogen 3.185 N/A THR 258.A OG1 ASP 215.A OD2 no hydrogen 2.235 N/A GLY 261.A N THR 258.A O no hydrogen 3.017 N/A ILE 262.A N THR 258.A O no hydrogen 3.465 N/A GLY 263.A N PRO 259.A O no hydrogen 2.796 N/A LYS 264.A N VAL 260.A O no hydrogen 3.082 N/A CYS 265.A N GLY 261.A O no hydrogen 3.498 N/A CYS 265.A SG GLY 261.A O no hydrogen 3.618 N/A LEU 266.A N ILE 262.A O no hydrogen 2.981 N/A LYS 267.A N GLY 263.A O no hydrogen 2.799 N/A TYR 268.A N LYS 264.A O no hydrogen 3.011 N/A ILE 269.A N CYS 265.A O no hydrogen 3.149 N/A LEU 270.A N LEU 266.A O no hydrogen 2.807 N/A GLN 271.A N LYS 267.A O no hydrogen 3.062 N/A TRP 272.A N ILE 269.A O no hydrogen 3.119 N/A GLN 273.A N LEU 270.A O no hydrogen 3.238 N/A THR 276.A N LYS 110.A O no hydrogen 2.785 N/A THR 276.A OG1 LEU 274.A O no hydrogen 2.898 N/A LEU 277.A N VAL 238.A O no hydrogen 2.804 N/A ILE 278.A N ALA 112.A O no hydrogen 2.709 N/A LEU 279.A N LEU 240.A O no hydrogen 2.876 N/A GLY 282.A N ASP 156.A OD1 no hydrogen 2.989 N/A TYR 284.A N ASP 250.A OD1 no hydrogen 2.824 N/A ASN 285.A ND2 GLY 249.A O no hydrogen 2.820 N/A ASN 288.A N ASN 285.A OD1 no hydrogen 3.191 N/A ASN 288.A ND2 ALA 248.A O no hydrogen 3.003 N/A THR 289.A N ASN 285.A O no hydrogen 2.802 N/A THR 289.A OG1 ASN 285.A O no hydrogen 2.997 N/A ALA 290.A N LEU 286.A O no hydrogen 3.091 N/A ARG 291.A N ALA 287.A O no hydrogen 2.875 N/A ARG 291.A NE VAL 323.A O no hydrogen 2.891 N/A CYS 292.A N ASN 288.A O no hydrogen 2.847 N/A TRP 293.A N THR 289.A O no hydrogen 3.071 N/A TRP 293.A NE1 LEU 242.A O no hydrogen 2.953 N/A THR 294.A N ALA 290.A O no hydrogen 2.926 N/A THR 294.A OG1 ALA 290.A O no hydrogen 2.706 N/A TYR 295.A N ARG 291.A O no hydrogen 3.025 N/A LEU 296.A N CYS 292.A O no hydrogen 2.869 N/A THR 297.A N TRP 293.A O no hydrogen 2.889 N/A THR 297.A OG1 TRP 293.A O no hydrogen 2.498 N/A GLY 298.A N THR 294.A O no hydrogen 3.050 N/A VAL 299.A N TYR 295.A O no hydrogen 2.957 N/A ILE 300.A N LEU 296.A O no hydrogen 2.951 N/A LEU 301.A N THR 297.A O no hydrogen 3.151 N/A GLY 302.A N VAL 299.A O no hydrogen 3.075 N/A LYS 303.A N GLY 298.A O no hydrogen 2.752 N/A SER 307.A OG GLU 325.A OE1 no hydrogen 2.916 N/A ILE 309.A N TYR 322.A O no hydrogen 3.051 N/A HIS 312.A ND1 PRO 310.A O no hydrogen 2.853 N/A PHE 315.A N HIS 312.A O no hydrogen 3.326 N/A ALA 317.A N PHE 314.A O no hydrogen 3.082 N/A TYR 318.A N PHE 315.A O no hydrogen 3.267 N/A TYR 322.A N TYR 318.A O no hydrogen 2.910 N/A LEU 324.A N SER 307.A O no hydrogen 2.642 N/A SER 329.A N ASN 256.A OD1 no hydrogen 2.810 N/A ARG 331.A NH1 SER 254.A O no hydrogen 2.783 N/A ARG 331.A NH2 SER 254.A O no hydrogen 3.473 N/A ARG 331.A NH2 PHE 255.A O no hydrogen 2.836 N/A ARG 334.A N ASP 211.A O no hydrogen 2.895 N/A ASN 335.A N ASP 333.A OD1 no hydrogen 3.005 N/A ASN 335.A ND2 GLN 210.A O no hydrogen 3.007 N/A ASN 335.A ND2 ASP 333.A OD1 no hydrogen 2.972 N/A ARG 339.A N GLU 336.A O no hydrogen 3.012 N/A ILE 340.A N GLU 336.A O no hydrogen 3.375 N/A GLN 341.A N PRO 337.A O no hydrogen 3.430 N/A GLN 342.A N HIS 338.A O no hydrogen 3.238 N/A ILE 343.A N ARG 339.A O no hydrogen 3.112 N/A LEU 344.A N ILE 340.A O no hydrogen 3.100 N/A ASN 345.A N GLN 341.A O no hydrogen 2.903 N/A ASN 345.A ND2 GLN 342.A OE1 no hydrogen 3.233 N/A TYR 346.A N GLN 342.A O no hydrogen 2.996 N/A ILE 347.A N ILE 343.A O no hydrogen 3.173 N/A LYS 348.A N LEU 344.A O no hydrogen 3.007 N/A GLY 349.A N ASN 345.A O no hydrogen 2.982 N/A ASN 350.A N TYR 346.A O no hydrogen 2.869 N/A LEU 351.A N ILE 347.A O no hydrogen 2.896 N/A LYS 352.A N GLY 349.A O no hydrogen 3.359 N/A HIS 353.A N ASN 350.A O no hydrogen 3.185 N/A VAL 354.A N LEU 351.A O no hydrogen 3.157 N/A VAL 355.A N HIS 353.A O no hydrogen 2.865 N/A