Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ki1_R.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N SER 3.A OG no hydrogen 3.250 N/A THR 7.A N SER 3.A O no hydrogen 2.908 N/A THR 7.A OG1 SER 3.A O no hydrogen 3.430 N/A VAL 8.A N LEU 4.A O no hydrogen 3.230 N/A GLN 9.A N TRP 5.A O no hydrogen 3.212 N/A LYS 10.A N GLU 6.A O no hydrogen 3.136 N/A TRP 11.A N THR 7.A O no hydrogen 3.184 N/A ARG 12.A N VAL 8.A O no hydrogen 2.851 N/A GLU 13.A N GLN 9.A O no hydrogen 2.895 N/A TYR 14.A N LYS 10.A O no hydrogen 2.871 N/A ARG 15.A N TRP 11.A O no hydrogen 2.776 N/A ARG 16.A N ARG 12.A O no hydrogen 2.916 N/A GLN 17.A N GLU 13.A O no hydrogen 2.791 N/A CYS 18.A N TYR 14.A O no hydrogen 3.308 N/A CYS 18.A N ARG 15.A O no hydrogen 2.918 N/A GLN 19.A N ARG 15.A O no hydrogen 2.506 N/A ARG 20.A N ARG 16.A O no hydrogen 3.220 N/A LEU 22.A N CYS 18.A O no hydrogen 2.598 N/A THR 23.A OG1 ARG 20.A O no hydrogen 2.986 N/A GLU 24.A N ARG 20.A O no hydrogen 3.148 N/A GLU 24.A N SER 21.A O no hydrogen 3.236 N/A ASP 25.A N SER 21.A O no hydrogen 3.255 N/A THR 30.A OG1 PRO 28.A O no hydrogen 3.444 N/A CYS 34.A SG GLY 47.A O no hydrogen 2.995 N/A ARG 36.A NH1 PRO 26.A O no hydrogen 3.295 N/A THR 37.A N TRP 44.A O no hydrogen 3.394 N/A CYS 43.A N TYR 14.A OH no hydrogen 3.231 N/A GLY 50.A N CYS 76.A O no hydrogen 3.257 N/A SER 51.A OG PHE 52.A O no hydrogen 3.005 N/A VAL 53.A N ARG 74.A O no hydrogen 2.515 N/A VAL 55.A N VAL 72.A O no hydrogen 3.338 N/A CYS 57.A N GLY 70.A O no hydrogen 3.219 N/A TYR 60.A OH TYR 41.A O no hydrogen 2.684 N/A HIS 71.A N GLU 97.A OE2 no hydrogen 2.716 N/A VAL 72.A N VAL 55.A O no hydrogen 3.328 N/A ARG 74.A N VAL 53.A O no hydrogen 2.939 N/A CYS 76.A N SER 51.A O no hydrogen 3.192 N/A CYS 76.A SG GLY 47.A O no hydrogen 3.007 N/A CYS 76.A SG THR 77.A O no hydrogen 3.966 N/A CYS 76.A SG LEU 81.A O no hydrogen 3.358 N/A THR 77.A N LEU 81.A O no hydrogen 2.488 N/A THR 77.A OG1 LEU 81.A O no hydrogen 2.903 N/A GLY 80.A N THR 77.A O no hydrogen 2.712 N/A LEU 81.A N THR 77.A OG1 no hydrogen 3.084 N/A TRP 82.A NE1 ASN 35.A O no hydrogen 3.078 N/A LEU 83.A N PHE 75.A O no hydrogen 2.644 N/A SER 88.A OG ASN 87.A O no hydrogen 2.321 N/A TRP 92.A N LEU 83.A O no hydrogen 2.628 N/A ASP 94.A N TYR 73.A O no hydrogen 3.232 N/A SER 96.A OG ASP 94.A OD1 no hydrogen 2.949 N/A SER 96.A OG ASP 94.A OD2 no hydrogen 2.451 N/A LEU 106.A N GLU 103.A O no hydrogen 2.625 N/A LEU 107.A N GLU 104.A O no hydrogen 3.101 N/A PHE 108.A N GLU 104.A O no hydrogen 3.316 N/A ILE 111.A N LEU 107.A O no hydrogen 2.624 N/A ILE 112.A N PHE 108.A O no hydrogen 2.932 N/A TYR 113.A N LEU 109.A O no hydrogen 3.075 N/A TYR 113.A OH ASP 163.A OD2 no hydrogen 2.561 N/A THR 114.A N TYR 110.A O no hydrogen 3.400 N/A THR 114.A OG1 TYR 110.A O no hydrogen 2.843 N/A VAL 115.A N ILE 111.A O no hydrogen 3.468 N/A TYR 117.A N TYR 113.A O no hydrogen 3.322 N/A ALA 118.A N THR 114.A O no hydrogen 2.859 N/A ALA 118.A N VAL 115.A O no hydrogen 3.107 N/A LEU 119.A N VAL 115.A O no hydrogen 2.910 N/A SER 120.A N GLY 116.A O no hydrogen 3.075 N/A SER 120.A OG GLY 116.A O no hydrogen 2.805 N/A SER 120.A OG SER 354.A O no hydrogen 2.557 N/A PHE 121.A N TYR 117.A O no hydrogen 3.085 N/A SER 122.A N ALA 118.A O no hydrogen 3.043 N/A SER 122.A OG ALA 118.A O no hydrogen 2.711 N/A ALA 123.A N LEU 119.A O no hydrogen 3.427 N/A LEU 124.A N SER 120.A O no hydrogen 2.914 N/A VAL 125.A N PHE 121.A O no hydrogen 3.238 N/A ILE 126.A N SER 122.A O no hydrogen 3.303 N/A ALA 127.A N ALA 123.A O no hydrogen 3.051 N/A SER 128.A N LEU 124.A O no hydrogen 3.067 N/A SER 128.A OG LEU 124.A O no hydrogen 2.619 N/A ALA 129.A N VAL 125.A O no hydrogen 3.118 N/A ILE 130.A N ILE 126.A O no hydrogen 3.194 N/A LEU 131.A N ALA 127.A O no hydrogen 3.186 N/A LEU 132.A N SER 128.A O no hydrogen 2.876 N/A GLY 133.A N ALA 129.A O no hydrogen 2.531 N/A PHE 134.A N ILE 130.A O no hydrogen 3.331 N/A HIS 138.A N ARG 135.A O no hydrogen 3.119 N/A CYS 139.A SG LEU 137.A O no hydrogen 3.952 N/A CYS 139.A SG ASN 142.A OD1 no hydrogen 3.312 N/A THR 140.A OG1 GLU 227.A OE2 no hydrogen 2.676 N/A TYR 143.A N CYS 139.A O no hydrogen 2.821 N/A ILE 144.A N THR 140.A O no hydrogen 2.929 N/A HIS 145.A N ARG 141.A O no hydrogen 3.127 N/A HIS 145.A ND1 GLU 212.A OE1 no hydrogen 2.641 N/A LEU 146.A N ASN 142.A O no hydrogen 3.004 N/A ASN 147.A N TYR 143.A O no hydrogen 3.240 N/A LEU 148.A N ILE 144.A O no hydrogen 2.920 N/A PHE 149.A N HIS 145.A O no hydrogen 2.627 N/A ALA 150.A N LEU 146.A O no hydrogen 2.940 N/A SER 151.A N ASN 147.A O no hydrogen 3.093 N/A SER 151.A N LEU 148.A O no hydrogen 3.131 N/A SER 151.A OG ASN 147.A O no hydrogen 3.363 N/A SER 151.A OG ALA 204.A O no hydrogen 3.373 N/A PHE 152.A N LEU 148.A O no hydrogen 3.222 N/A ILE 153.A N PHE 149.A O no hydrogen 3.151 N/A LEU 154.A N ALA 150.A O no hydrogen 3.112 N/A ARG 155.A N SER 151.A O no hydrogen 2.804 N/A ARG 155.A NE TYR 117.A OH no hydrogen 3.143 N/A ARG 155.A NH1 ASN 205.A OD1 no hydrogen 3.052 N/A ARG 155.A NH2 TYR 206.A OH no hydrogen 3.304 N/A ALA 156.A N PHE 152.A O no hydrogen 2.874 N/A LEU 157.A N ILE 153.A O no hydrogen 2.678 N/A SER 158.A N LEU 154.A O no hydrogen 2.758 N/A SER 158.A OG LEU 154.A O no hydrogen 3.320 N/A SER 158.A OG ARG 155.A O no hydrogen 3.292 N/A VAL 159.A N ARG 155.A O no hydrogen 3.220 N/A ILE 161.A N LEU 157.A O no hydrogen 3.104 N/A LYS 162.A N SER 158.A O no hydrogen 2.945 N/A ASP 163.A N VAL 159.A O no hydrogen 3.021 N/A ALA 164.A N ILE 161.A O no hydrogen 3.098 N/A ALA 165.A N LYS 162.A O no hydrogen 2.964 N/A LEU 166.A N LYS 162.A O no hydrogen 2.922 N/A LYS 167.A NZ TYR 110.A OH no hydrogen 3.149 N/A MET 169.A N ALA 165.A O no hydrogen 2.699 N/A TYR 170.A N LEU 166.A O no hydrogen 3.104 N/A THR 172.A N LYS 167.A O no hydrogen 2.675 N/A THR 172.A OG1 LYS 167.A O no hydrogen 3.289 N/A ALA 173.A N TRP 168.A O no hydrogen 3.070 N/A GLN 176.A N ALA 173.A O no hydrogen 2.476 N/A GLN 178.A N ALA 173.A O no hydrogen 3.264 N/A GLN 178.A NE2 GLN 176.A OE1 no hydrogen 2.793 N/A LEU 182.A N GLN 178.A O no hydrogen 3.420 N/A SER 184.A N ASP 180.A O no hydrogen 3.333 N/A TYR 185.A N GLY 181.A O no hydrogen 2.846 N/A GLN 186.A N LEU 182.A O no hydrogen 3.299 N/A ASP 187.A N SER 184.A O no hydrogen 3.010 N/A SER 188.A N SER 184.A O no hydrogen 3.223 N/A SER 188.A N TYR 185.A O no hydrogen 2.855 N/A SER 188.A OG SER 184.A O no hydrogen 3.257 N/A SER 188.A OG TYR 185.A O no hydrogen 3.405 N/A CYS 191.A N SER 188.A O no hydrogen 3.259 N/A ARG 192.A NE ASP 258.A OD1 no hydrogen 2.827 N/A ARG 192.A NH1 GLN 186.A O no hydrogen 2.621 N/A ARG 192.A NH2 ASP 258.A OD1 no hydrogen 2.936 N/A LEU 193.A N LEU 189.A O no hydrogen 2.804 N/A VAL 194.A N SER 190.A O no hydrogen 3.195 N/A LEU 196.A N LEU 193.A O no hydrogen 2.919 N/A LEU 197.A N LEU 193.A O no hydrogen 2.558 N/A MET 198.A N VAL 194.A O no hydrogen 3.134 N/A TYR 200.A N LEU 196.A O no hydrogen 3.333 N/A TYR 200.A OH TRP 239.A O no hydrogen 3.064 N/A CYS 201.A N LEU 197.A O no hydrogen 2.980 N/A CYS 201.A SG LEU 154.A O no hydrogen 3.935 N/A VAL 202.A N MET 198.A O no hydrogen 3.048 N/A ALA 203.A N GLN 199.A O no hydrogen 3.091 N/A ALA 204.A N TYR 200.A O no hydrogen 2.789 N/A ASN 205.A N CYS 201.A O no hydrogen 3.281 N/A ASN 205.A N VAL 202.A O no hydrogen 3.185 N/A TYR 206.A N VAL 202.A O no hydrogen 3.225 N/A TYR 206.A OH GLU 326.A OE1 no hydrogen 3.316 N/A TYR 207.A N ALA 203.A O no hydrogen 3.130 N/A TYR 207.A OH PRO 277.A O no hydrogen 2.912 N/A TRP 208.A N ALA 204.A O no hydrogen 3.209 N/A LEU 209.A N ASN 205.A O no hydrogen 3.309 N/A LEU 210.A N TYR 206.A O no hydrogen 3.051 N/A VAL 211.A N TYR 207.A O no hydrogen 3.258 N/A GLU 212.A N TRP 208.A O no hydrogen 3.190 N/A GLY 213.A N LEU 209.A O no hydrogen 3.255 N/A VAL 214.A N LEU 210.A O no hydrogen 2.815 N/A TYR 215.A N VAL 211.A O no hydrogen 2.840 N/A LEU 216.A N GLU 212.A O no hydrogen 3.096 N/A TYR 217.A N GLY 213.A O no hydrogen 2.860 N/A THR 218.A N VAL 214.A O no hydrogen 2.958 N/A THR 218.A OG1 TYR 215.A O no hydrogen 2.906 N/A LEU 219.A N TYR 215.A O no hydrogen 3.057 N/A LEU 220.A N LEU 216.A O no hydrogen 3.258 N/A ALA 221.A N TYR 217.A O no hydrogen 2.908 N/A SER 223.A N THR 218.A O no hydrogen 3.456 N/A SER 223.A OG ALA 221.A O no hydrogen 2.737 N/A PHE 225.A N SER 223.A O no hydrogen 3.054 N/A ILE 230.A N SER 226.A O no hydrogen 3.300 N/A LEU 233.A N TRP 229.A O no hydrogen 3.261 N/A TYR 234.A N ILE 230.A O no hydrogen 2.718 N/A VAL 235.A N PHE 231.A O no hydrogen 2.971 N/A SER 236.A N ARG 232.A O no hydrogen 3.142 N/A SER 236.A OG ARG 232.A O no hydrogen 3.303 N/A SER 236.A OG LEU 233.A O no hydrogen 2.849 N/A ILE 237.A N LEU 233.A O no hydrogen 2.992 N/A GLY 238.A N TYR 234.A O no hydrogen 3.007 N/A TRP 239.A N VAL 235.A O no hydrogen 3.090 N/A VAL 241.A N SER 236.A O no hydrogen 3.213 N/A LEU 243.A N GLY 240.A O no hydrogen 3.039 N/A LEU 244.A N VAL 241.A O no hydrogen 2.759 N/A VAL 246.A N PRO 242.A O no hydrogen 3.078 N/A VAL 247.A N LEU 243.A O no hydrogen 3.438 N/A TRP 249.A N PHE 245.A O no hydrogen 3.225 N/A GLY 250.A N VAL 246.A O no hydrogen 2.804 N/A ILE 251.A N VAL 247.A O no hydrogen 3.116 N/A LYS 253.A N TRP 249.A O no hydrogen 3.115 N/A LYS 253.A NZ GLU 257.A O no hydrogen 3.195 N/A LYS 253.A NZ ARG 264.A O no hydrogen 3.486 N/A TYR 254.A N ILE 251.A O no hydrogen 3.251 N/A LEU 255.A N ILE 251.A O no hydrogen 3.061 N/A TYR 256.A N VAL 252.A O no hydrogen 2.940 N/A CYS 261.A SG CYS 261.A O no hydrogen 2.479 N/A TRP 262.A N GLU 259.A O no hydrogen 2.962 N/A TRP 262.A NE1 ASP 258.A OD1 no hydrogen 3.158 N/A THR 263.A OG1 GLY 260.A O no hydrogen 2.877 N/A SER 266.A OG GLU 259.A OE2 no hydrogen 3.343 N/A ASN 267.A N GLU 257.A OE2 no hydrogen 3.424 N/A ASN 267.A ND2 ASN 269.A OD1 no hydrogen 2.677 N/A ASN 269.A N ASN 267.A OD1 no hydrogen 2.674 N/A ILE 273.A N TYR 270.A O no hydrogen 3.152 N/A ARG 275.A N TRP 271.A O no hydrogen 2.883 N/A ARG 275.A NH1 MET 268.A O no hydrogen 3.543 N/A ARG 275.A NH1 GLU 335.A OE2 no hydrogen 2.830 N/A LEU 276.A N LEU 272.A O no hydrogen 2.819 N/A LEU 279.A N ARG 275.A O no hydrogen 2.918 N/A PHE 280.A N LEU 276.A O no hydrogen 3.049 N/A ALA 281.A N PRO 277.A O no hydrogen 3.249 N/A ILE 282.A N ILE 278.A O no hydrogen 2.834 N/A GLY 283.A N LEU 279.A O no hydrogen 2.741 N/A VAL 284.A N PHE 280.A O no hydrogen 2.882 N/A ASN 285.A N ALA 281.A O no hydrogen 3.166 N/A ASN 285.A ND2 LEU 209.A O no hydrogen 2.575 N/A ASN 285.A ND2 LEU 322.A O no hydrogen 2.716 N/A PHE 286.A N GLY 283.A O no hydrogen 3.282 N/A LEU 287.A N GLY 283.A O no hydrogen 3.435 N/A ILE 288.A N VAL 284.A O no hydrogen 3.163 N/A PHE 289.A N ASN 285.A O no hydrogen 3.268 N/A VAL 290.A N PHE 286.A O no hydrogen 3.111 N/A ARG 291.A N LEU 287.A O no hydrogen 3.172 N/A ARG 291.A NH1 LEU 287.A O no hydrogen 2.987 N/A VAL 292.A N ILE 288.A O no hydrogen 2.872 N/A ILE 293.A N PHE 289.A O no hydrogen 3.083 N/A CYS 294.A N VAL 290.A O no hydrogen 2.757 N/A CYS 294.A SG VAL 290.A O no hydrogen 3.356 N/A ILE 295.A N ARG 291.A O no hydrogen 2.912 N/A VAL 296.A N VAL 292.A O no hydrogen 2.946 N/A VAL 297.A N ILE 293.A O no hydrogen 3.007 N/A SER 298.A N CYS 294.A O no hydrogen 3.413 N/A SER 298.A OG CYS 294.A O no hydrogen 3.308 N/A LYS 299.A N ILE 295.A O no hydrogen 3.148 N/A LEU 300.A N VAL 296.A O no hydrogen 3.010 N/A LYS 301.A N VAL 297.A O no hydrogen 3.209 N/A CYS 309.A N THR 305.A O no hydrogen 2.998 N/A ARG 310.A N ASP 306.A O no hydrogen 2.987 N/A ARG 310.A NH1 ARG 310.A O no hydrogen 2.742 N/A LEU 311.A N ILE 307.A O no hydrogen 2.850 N/A ALA 312.A N LYS 308.A O no hydrogen 3.173 N/A LYS 313.A N CYS 309.A O no hydrogen 3.070 N/A SER 314.A N ARG 310.A O no hydrogen 2.972 N/A THR 315.A N LEU 311.A O no hydrogen 2.833 N/A THR 315.A OG1 LEU 311.A O no hydrogen 3.034 N/A LEU 316.A N ALA 312.A O no hydrogen 3.034 N/A THR 317.A N LYS 313.A O no hydrogen 3.213 N/A THR 317.A OG1 LYS 313.A O no hydrogen 2.915 N/A LEU 318.A N SER 314.A O no hydrogen 3.107 N/A ILE 319.A N THR 315.A O no hydrogen 3.234 N/A LEU 322.A N LEU 318.A O no hydrogen 3.344 N/A GLY 323.A N ILE 319.A O no hydrogen 2.889 N/A HIS 325.A NE2 GLN 356.A OE1 no hydrogen 2.956 N/A VAL 327.A N THR 324.A O no hydrogen 3.343 N/A HIS 336.A N MET 333.A O no hydrogen 3.262 N/A ALA 337.A N ASP 334.A O no hydrogen 3.204 N/A ARG 338.A NH2 GLU 335.A O no hydrogen 3.042 N/A ARG 342.A N GLY 339.A O no hydrogen 2.541 N/A ARG 342.A NE ALA 337.A O no hydrogen 3.045 N/A PHE 343.A N THR 340.A O no hydrogen 2.471 N/A ILE 344.A N THR 340.A O no hydrogen 2.837 N/A LYS 345.A NZ VAL 332.A O no hydrogen 2.796 N/A PHE 347.A N PHE 343.A O no hydrogen 2.466 N/A THR 348.A N ILE 344.A O no hydrogen 2.941 N/A THR 348.A OG1 ILE 344.A O no hydrogen 3.408 N/A GLU 349.A N LYS 345.A O no hydrogen 3.130 N/A LEU 350.A N LEU 346.A O no hydrogen 3.161 N/A LEU 350.A N PHE 347.A O no hydrogen 3.267 N/A SER 351.A N PHE 347.A O no hydrogen 2.758 N/A THR 353.A OG1 GLU 349.A O no hydrogen 2.555 N/A SER 354.A N LEU 350.A O no hydrogen 3.261 N/A SER 354.A OG TYR 113.A O no hydrogen 2.944 N/A SER 354.A OG LEU 350.A O no hydrogen 2.896 N/A GLN 356.A N THR 353.A O no hydrogen 3.312 N/A GLN 356.A NE2 PRO 320.A O no hydrogen 2.717 N/A LEU 358.A N SER 120.A OG no hydrogen 2.864 N/A MET 359.A N PHE 355.A O no hydrogen 3.090 N/A VAL 360.A N GLN 356.A O no hydrogen 3.051 N/A ALA 361.A N GLY 357.A O no hydrogen 3.250 N/A ILE 362.A N LEU 358.A O no hydrogen 3.079 N/A LEU 363.A N MET 359.A O no hydrogen 3.031 N/A TYR 364.A N VAL 360.A O no hydrogen 2.855 N/A TYR 364.A OH THR 317.A O no hydrogen 2.923 N/A CYS 365.A N ALA 361.A O no hydrogen 2.912 N/A CYS 365.A SG ALA 127.A O no hydrogen 3.542 N/A PHE 366.A N ALA 361.A O no hydrogen 3.098 N/A PHE 366.A N ILE 362.A O no hydrogen 3.264 N/A VAL 367.A N ILE 362.A O no hydrogen 2.865 N/A ASN 369.A ND2 VAL 367.A O no hydrogen 3.482 N/A VAL 371.A N ASN 368.A O no hydrogen 2.897 N/A VAL 371.A N ASN 368.A OD1 no hydrogen 3.231 N/A GLN 372.A N ASN 368.A O no hydrogen 3.055 N/A LEU 373.A N ASN 369.A O no hydrogen 3.077 N/A GLU 374.A N GLU 370.A O no hydrogen 3.351 N/A PHE 375.A N VAL 371.A O no hydrogen 2.743 N/A ARG 376.A N GLN 372.A O no hydrogen 3.406 N/A ARG 376.A NE GLN 372.A O no hydrogen 2.668 N/A ARG 376.A NH2 GLN 372.A O no hydrogen 3.302 N/A LYS 377.A N LEU 373.A O no hydrogen 2.981 N/A SER 378.A N GLU 374.A O no hydrogen 3.160 N/A SER 378.A N PHE 375.A O no hydrogen 3.064 N/A TRP 379.A N ARG 376.A O no hydrogen 2.905 N/A GLU 380.A N ARG 376.A O no hydrogen 2.642 N/A ARG 381.A N LYS 377.A O no hydrogen 3.444 N/A ARG 383.A N TRP 379.A O no hydrogen 2.882 N/A ARG 383.A N GLU 380.A O no hydrogen 3.307 N/A LEU 384.A N ARG 381.A O no hydrogen 3.223 N/A