Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ni3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A NE1 ALA 212.A O no hydrogen 2.918 N/A GLY 5.A N ASN 205.A OD1 no hydrogen 2.931 N/A ARG 6.A NE ASP 106.A OD1 no hydrogen 3.073 N/A ARG 6.A NH2 ARG 103.A O no hydrogen 3.088 N/A ARG 6.A NH2 VAL 105.A O no hydrogen 3.417 N/A LEU 11.A N ASN 9.A O no hydrogen 2.723 N/A LYS 12.A N ASP 106.A OD2 no hydrogen 2.998 N/A THR 13.A N THR 77.A O no hydrogen 3.032 N/A THR 13.A OG1 THR 77.A O no hydrogen 2.929 N/A GLY 14.A N ALA 107.A O no hydrogen 3.019 N/A ILE 15.A N PHE 79.A O no hydrogen 2.704 N/A VAL 16.A N TYR 109.A O no hydrogen 2.800 N/A THR 24.A OG1 GLY 21.A O no hydrogen 3.138 N/A PHE 25.A N GLY 21.A O no hydrogen 2.608 N/A PHE 26.A N LYS 22.A O no hydrogen 3.044 N/A ARG 27.A N SER 23.A O no hydrogen 2.961 N/A ALA 28.A N THR 24.A O no hydrogen 3.040 N/A ILE 29.A N PHE 25.A O no hydrogen 3.020 N/A THR 30.A N PHE 26.A O no hydrogen 2.927 N/A THR 30.A OG1 PHE 26.A O no hydrogen 3.319 N/A THR 30.A OG1 ARG 27.A O no hydrogen 2.463 N/A LYS 31.A N ALA 28.A O no hydrogen 2.949 N/A SER 32.A N ALA 28.A O no hydrogen 2.915 N/A SER 32.A N ILE 29.A O no hydrogen 3.119 N/A SER 32.A OG ILE 29.A O no hydrogen 2.856 N/A GLY 35.A N SER 32.A OG no hydrogen 3.343 N/A ASN 36.A N SER 32.A O no hydrogen 2.803 N/A THR 44.A OG1 TYR 42.A O no hydrogen 3.260 N/A GLU 49.A N ASP 46.A O no hydrogen 2.701 N/A ALA 50.A N VAL 78.A O no hydrogen 3.007 N/A LYS 51.A NZ GLU 49.A OE2 no hydrogen 3.083 N/A LYS 51.A NZ THR 77.A OG1 no hydrogen 3.299 N/A VAL 52.A N LEU 76.A O no hydrogen 2.977 N/A ALA 53.A N LEU 34.A O no hydrogen 2.607 N/A VAL 54.A N ALA 74.A O no hydrogen 3.043 N/A ARG 58.A N ASP 56.A OD1 no hydrogen 3.338 N/A ARG 58.A NH1 SER 364.A OG no hydrogen 2.905 N/A ARG 58.A NH2 SER 364.A OG no hydrogen 3.429 N/A PHE 59.A N ASP 56.A OD2 no hydrogen 3.158 N/A ASP 60.A N ASP 56.A O no hydrogen 3.004 N/A TRP 61.A N GLU 57.A O no hydrogen 2.803 N/A LEU 62.A N ARG 58.A O no hydrogen 2.906 N/A CYS 63.A N PHE 59.A O no hydrogen 2.855 N/A CYS 63.A SG PHE 59.A O no hydrogen 3.514 N/A GLU 64.A N ASP 60.A O no hydrogen 3.038 N/A ALA 65.A N TRP 61.A O no hydrogen 2.695 N/A TYR 66.A N LEU 62.A O no hydrogen 2.975 N/A LYS 67.A N CYS 63.A O no hydrogen 2.560 N/A LYS 67.A NZ GLU 64.A O no hydrogen 2.779 N/A SER 70.A N ASP 301.A O no hydrogen 3.080 N/A SER 70.A OG GLU 302.A OE2 no hydrogen 3.009 N/A ARG 71.A NH1 GLU 64.A OE2 no hydrogen 2.967 N/A ARG 71.A NH2 GLU 64.A OE2 no hydrogen 3.418 N/A VAL 72.A N VAL 303.A O no hydrogen 2.979 N/A LEU 76.A N VAL 52.A O no hydrogen 2.804 N/A VAL 78.A N ALA 50.A O no hydrogen 2.898 N/A PHE 79.A N THR 13.A O no hydrogen 2.661 N/A ASP 80.A N GLU 48.A O no hydrogen 2.853 N/A LEU 84.A N ASP 80.A O no hydrogen 3.119 N/A LEU 84.A N ILE 81.A O no hydrogen 2.880 N/A THR 85.A N ALA 82.A O no hydrogen 2.984 N/A THR 85.A OG1 ILE 81.A O no hydrogen 3.234 N/A SER 89.A OG GLY 91.A O no hydrogen 3.493 N/A LEU 94.A N GLU 139.A OE1 no hydrogen 2.492 N/A GLY 95.A N GLU 139.A OE2 no hydrogen 2.821 N/A LEU 99.A N GLY 95.A O no hydrogen 3.302 N/A SER 100.A N ASN 96.A O no hydrogen 2.930 N/A SER 100.A OG ALA 97.A O no hydrogen 2.663 N/A HIS 101.A N PHE 98.A O no hydrogen 3.220 N/A VAL 102.A N PHE 98.A O no hydrogen 3.281 N/A ARG 103.A N LEU 99.A O no hydrogen 3.055 N/A ALA 104.A N HIS 101.A O no hydrogen 3.095 N/A VAL 105.A N VAL 102.A O no hydrogen 2.760 N/A ASP 106.A N LYS 12.A O no hydrogen 2.791 N/A ALA 107.A N LYS 12.A O no hydrogen 3.288 N/A ILE 108.A N PRO 214.A O no hydrogen 2.923 N/A TYR 109.A N GLY 14.A O no hydrogen 3.021 N/A TYR 109.A OH ILE 282.A O no hydrogen 3.097 N/A GLN 110.A N ILE 216.A O no hydrogen 2.898 N/A VAL 111.A N VAL 16.A O no hydrogen 2.862 N/A VAL 112.A N LEU 218.A O no hydrogen 2.790 N/A ARG 113.A NE PHE 115.A O no hydrogen 2.749 N/A ALA 114.A N ASN 220.A O no hydrogen 3.026 N/A GLU 119.A N ASP 116.A O no hydrogen 2.860 N/A ARG 131.A N ASP 128.A OD2 no hydrogen 3.029 N/A ASP 132.A N ASP 128.A O no hydrogen 3.518 N/A LEU 133.A N PRO 129.A O no hydrogen 2.704 N/A SER 134.A N ILE 130.A O no hydrogen 3.208 N/A SER 134.A OG ASP 138.A OD2 no hydrogen 3.092 N/A ILE 135.A N ARG 131.A O no hydrogen 3.040 N/A ILE 136.A N ASP 132.A O no hydrogen 3.271 N/A ASP 138.A N SER 134.A O no hydrogen 3.004 N/A GLU 139.A N ILE 135.A O no hydrogen 2.762 N/A LEU 140.A N ILE 136.A O no hydrogen 2.772 N/A LEU 141.A N VAL 137.A O no hydrogen 2.735 N/A ILE 142.A N ASP 138.A O no hydrogen 2.882 N/A LYS 143.A N GLU 139.A O no hydrogen 3.105 N/A LYS 143.A NZ ASN 96.A OD1 no hydrogen 2.736 N/A ASP 144.A N LEU 140.A O no hydrogen 3.089 N/A ALA 145.A N LEU 141.A O no hydrogen 2.765 N/A GLU 146.A N ILE 142.A O no hydrogen 2.655 N/A PHE 147.A N LYS 143.A O no hydrogen 2.715 N/A VAL 148.A N ASP 144.A O no hydrogen 2.814 N/A GLU 149.A N ALA 145.A O no hydrogen 2.859 N/A LYS 150.A N GLU 146.A O no hydrogen 2.916 N/A HIS 151.A N PHE 147.A O no hydrogen 2.847 N/A LEU 152.A N VAL 148.A O no hydrogen 2.464 N/A GLU 153.A N GLU 149.A O no hydrogen 2.743 N/A GLY 154.A N LYS 150.A O no hydrogen 2.889 N/A LEU 155.A N HIS 151.A O no hydrogen 3.166 N/A ARG 156.A N LEU 152.A O no hydrogen 3.201 N/A ARG 156.A N GLU 153.A O no hydrogen 3.296 N/A ARG 156.A NH2 GLU 149.A OE2 no hydrogen 3.564 N/A THR 159.A N LYS 157.A O no hydrogen 2.503 N/A THR 159.A OG1 LEU 155.A O no hydrogen 2.510 N/A GLY 162.A N ASN 164.A OD1 no hydrogen 3.027 N/A ALA 169.A N GLU 167.A O no hydrogen 3.194 N/A GLU 172.A N LYS 168.A O no hydrogen 3.269 N/A GLN 174.A N LYS 170.A O no hydrogen 3.125 N/A GLN 174.A NE2 LEU 155.A O no hydrogen 2.979 N/A GLN 174.A NE2 THR 159.A OG1 no hydrogen 3.102 N/A ALA 175.A N LYS 171.A O no hydrogen 2.867 N/A ILE 176.A N GLU 172.A O no hydrogen 3.148 N/A ILE 177.A N GLU 173.A O no hydrogen 2.777 N/A GLU 178.A N GLN 174.A O no hydrogen 2.935 N/A LYS 179.A N ALA 175.A O no hydrogen 3.286 N/A LYS 179.A NZ GLU 200.A OE1 no hydrogen 2.811 N/A VAL 180.A N ILE 176.A O no hydrogen 2.896 N/A TYR 181.A N ILE 177.A O no hydrogen 2.945 N/A GLN 182.A N GLU 178.A O no hydrogen 2.757 N/A TYR 183.A N LYS 179.A O no hydrogen 2.731 N/A LEU 184.A N VAL 180.A O no hydrogen 3.050 N/A THR 185.A N TYR 181.A O no hydrogen 2.819 N/A THR 185.A OG1 TYR 181.A O no hydrogen 2.648 N/A THR 185.A OG1 GLN 182.A O no hydrogen 3.223 N/A GLU 186.A N GLN 182.A O no hydrogen 2.522 N/A LYS 188.A N TYR 183.A O no hydrogen 2.917 N/A ARG 192.A N THR 211.A O no hydrogen 3.059 N/A ARG 192.A NE ASP 247.A OD1 no hydrogen 3.402 N/A ARG 192.A NH2 ASP 247.A OD1 no hydrogen 3.252 N/A ARG 192.A NH2 ASP 247.A OD2 no hydrogen 3.261 N/A LYS 193.A N PRO 190.A O no hydrogen 2.786 N/A LYS 193.A NZ PRO 245.A O no hydrogen 2.676 N/A LYS 193.A NZ ASP 247.A OD1 no hydrogen 3.016 N/A LYS 193.A NZ ASP 247.A OD2 no hydrogen 2.978 N/A GLY 194.A N ILE 191.A O no hydrogen 3.071 N/A TRP 196.A NE1 ILE 191.A O no hydrogen 3.027 N/A SER 197.A N GLU 200.A OE2 no hydrogen 2.816 N/A ARG 199.A NH1 GLU 202.A OE1 no hydrogen 2.735 N/A GLU 200.A N SER 197.A OG no hydrogen 3.248 N/A VAL 201.A N SER 197.A O no hydrogen 2.754 N/A GLU 202.A N ASN 198.A O no hydrogen 2.925 N/A ILE 203.A N ARG 199.A O no hydrogen 2.956 N/A ILE 204.A N GLU 200.A O no hydrogen 2.898 N/A ASN 205.A N VAL 201.A O no hydrogen 2.934 N/A SER 206.A N ILE 203.A O no hydrogen 2.830 N/A SER 206.A OG ILE 203.A O no hydrogen 2.298 N/A LEU 207.A N ILE 204.A O no hydrogen 2.462 N/A TYR 208.A N ASN 205.A O no hydrogen 3.160 N/A LEU 210.A N ASP 144.A OD1 no hydrogen 2.687 N/A THR 211.A N ASP 144.A OD2 no hydrogen 2.723 N/A ALA 212.A N LEU 209.A O no hydrogen 3.210 N/A LYS 213.A N LEU 210.A O no hydrogen 3.298 N/A LYS 213.A NZ ARG 103.A O no hydrogen 3.395 N/A LYS 213.A NZ VAL 105.A O no hydrogen 2.623 N/A ILE 216.A N ILE 108.A O no hydrogen 2.721 N/A TYR 217.A N THR 248.A O no hydrogen 2.977 N/A LEU 218.A N GLN 110.A O no hydrogen 2.855 N/A VAL 219.A N ILE 250.A O no hydrogen 3.205 N/A ASN 220.A N VAL 112.A O no hydrogen 2.751 N/A ASN 220.A ND2 VAL 20.A O no hydrogen 2.924 N/A SER 221.A OG ASP 224.A OD2 no hydrogen 3.004 N/A ASP 224.A N SER 221.A OG no hydrogen 3.144 N/A PHE 225.A N SER 221.A O no hydrogen 2.787 N/A LEU 226.A N GLU 222.A O no hydrogen 2.699 N/A ARG 227.A N ASP 224.A O no hydrogen 3.238 N/A ARG 227.A NE LYS 229.A O no hydrogen 3.384 N/A GLN 228.A N PHE 225.A O no hydrogen 3.464 N/A LYS 229.A N ASP 224.A O no hydrogen 3.335 N/A LYS 231.A NZ ASP 116.A OD1 no hydrogen 3.440 N/A LYS 231.A NZ TYR 232.A OH no hydrogen 3.242 N/A TYR 232.A OH ASP 116.A OD1 no hydrogen 3.005 N/A ILE 236.A N TYR 232.A O no hydrogen 2.875 N/A LYS 237.A N LEU 233.A O no hydrogen 2.887 N/A LYS 238.A N PRO 234.A O no hydrogen 3.267 N/A TRP 239.A N LYS 235.A O no hydrogen 3.126 N/A ILE 240.A N ILE 236.A O no hydrogen 3.124 N/A ASP 241.A N LYS 237.A O no hydrogen 3.282 N/A GLU 242.A N LYS 238.A O no hydrogen 3.060 N/A GLU 242.A N TRP 239.A O no hydrogen 2.894 N/A ASN 243.A N ILE 240.A O no hydrogen 3.199 N/A ASN 243.A ND2 TRP 239.A O no hydrogen 2.752 N/A SER 244.A N ILE 240.A O no hydrogen 2.781 N/A SER 244.A OG ASP 247.A OD2 no hydrogen 2.643 N/A ILE 250.A N TYR 217.A O no hydrogen 2.849 N/A VAL 253.A N ASN 220.A OD1 no hydrogen 2.668 N/A PHE 255.A N SER 252.A OG no hydrogen 3.118 N/A GLU 256.A N SER 252.A O no hydrogen 2.838 N/A GLU 257.A N VAL 253.A O no hydrogen 2.919 N/A ARG 258.A N ALA 254.A O no hydrogen 3.121 N/A ARG 258.A NH2 GLU 270.A OE2 no hydrogen 3.142 N/A LEU 259.A N PHE 255.A O no hydrogen 2.946 N/A THR 260.A N GLU 256.A O no hydrogen 3.337 N/A THR 260.A N GLU 257.A O no hydrogen 2.970 N/A THR 260.A OG1 GLU 257.A O no hydrogen 2.575 N/A THR 260.A OG1 GLU 257.A OE2 no hydrogen 3.253 N/A ASN 261.A N ARG 258.A O no hydrogen 3.111 N/A ASN 261.A ND2 ARG 258.A O no hydrogen 2.877 N/A PHE 262.A N LEU 259.A O no hydrogen 2.850 N/A THR 263.A N GLU 266.A OE1 no hydrogen 3.214 N/A THR 263.A OG1 GLU 266.A OE1 no hydrogen 3.256 N/A GLU 266.A N THR 263.A OG1 no hydrogen 3.238 N/A ALA 267.A N THR 263.A O no hydrogen 2.747 N/A ILE 268.A N GLU 265.A O no hydrogen 2.574 N/A GLU 269.A N GLU 265.A O no hydrogen 3.174 N/A GLU 270.A N GLU 266.A O no hydrogen 2.833 N/A CYS 271.A N ALA 267.A O no hydrogen 2.943 N/A LYS 272.A N ILE 268.A O no hydrogen 2.725 N/A LYS 273.A N GLU 269.A O no hydrogen 2.894 N/A LYS 273.A NZ GLU 269.A OE1 no hydrogen 3.452 N/A LEU 274.A N GLU 270.A O no hydrogen 3.033 N/A ASN 275.A N LYS 272.A O no hydrogen 2.730 N/A THR 276.A N CYS 271.A O no hydrogen 2.745 N/A SER 278.A OG GLU 256.A OE1 no hydrogen 2.607 N/A SER 278.A OG GLU 256.A OE2 no hydrogen 3.504 N/A ILE 283.A N LEU 279.A O no hydrogen 2.800 N/A VAL 284.A N PRO 280.A O no hydrogen 2.912 N/A THR 285.A N LYS 281.A O no hydrogen 2.940 N/A THR 285.A OG1 LYS 281.A O no hydrogen 2.731 N/A GLY 286.A N ILE 282.A O no hydrogen 2.966 N/A TYR 287.A N ILE 283.A O no hydrogen 2.766 N/A TYR 287.A OH ILE 293.A O no hydrogen 3.108 N/A TYR 287.A OH THR 307.A OG1 no hydrogen 2.767 N/A ASN 288.A N VAL 284.A O no hydrogen 2.768 N/A ALA 289.A N THR 285.A O no hydrogen 2.869 N/A LEU 290.A N GLY 286.A O no hydrogen 3.151 N/A ASN 291.A N ASN 288.A O no hydrogen 2.573 N/A LEU 292.A N TYR 287.A O no hydrogen 3.416 N/A ILE 293.A N ILE 308.A O no hydrogen 2.926 N/A ASN 294.A ND2 SER 305.A OG no hydrogen 2.417 N/A TYR 295.A N TRP 306.A O no hydrogen 3.243 N/A TYR 295.A OH ALA 317.A O no hydrogen 2.817 N/A PHE 296.A N ASP 366.A O no hydrogen 2.716 N/A THR 297.A N ARG 304.A O no hydrogen 3.005 N/A THR 297.A OG1 THR 297.A O no hydrogen 2.596 N/A VAL 303.A N SER 70.A O no hydrogen 3.043 N/A ARG 304.A N THR 297.A O no hydrogen 3.216 N/A SER 305.A N VAL 72.A O no hydrogen 3.011 N/A TRP 306.A N TYR 295.A O no hydrogen 2.808 N/A TRP 306.A NE1 THR 297.A OG1 no hydrogen 2.870 N/A THR 307.A OG1 TYR 287.A OH no hydrogen 2.767 N/A ILE 308.A N ILE 293.A O no hydrogen 2.819 N/A ARG 309.A NH1 ARG 6.A O no hydrogen 2.995 N/A ARG 309.A NH1 GLY 8.A O no hydrogen 2.652 N/A ARG 309.A NH2 GLN 3.A OE1 no hydrogen 3.119 N/A LYS 310.A N ASN 291.A O no hydrogen 3.120 N/A THR 312.A N ARG 309.A O no hydrogen 2.665 N/A THR 312.A OG1 ARG 309.A O no hydrogen 2.749 N/A LYS 313.A NZ GLU 360.A OE1 no hydrogen 3.329 N/A ALA 314.A N TYR 361.A O no hydrogen 2.626 N/A ALA 317.A N LYS 313.A O no hydrogen 3.045 N/A ALA 318.A N ALA 314.A O no hydrogen 2.822 N/A GLY 319.A N PRO 315.A O no hydrogen 2.856 N/A VAL 320.A N GLN 316.A O no hydrogen 3.121 N/A VAL 320.A N ALA 317.A O no hydrogen 3.124 N/A ILE 321.A N ALA 318.A O no hydrogen 3.048 N/A GLU 326.A N THR 323.A O no hydrogen 3.048 N/A LYS 327.A N THR 323.A O no hydrogen 3.377 N/A ALA 328.A N ASP 324.A O no hydrogen 2.803 N/A PHE 329.A N GLU 326.A O no hydrogen 3.122 N/A GLY 332.A N LYS 357.A O no hydrogen 2.660 N/A GLU 333.A N HIS 369.A O no hydrogen 3.177 N/A ILE 334.A N LEU 355.A O no hydrogen 3.220 N/A ASP 338.A N HIS 335.A O no hydrogen 2.865 N/A LEU 339.A N HIS 335.A O no hydrogen 3.147 N/A PHE 340.A N TYR 336.A O no hydrogen 2.670 N/A ASP 341.A N GLN 337.A O no hydrogen 2.959 N/A ASP 341.A N ASP 338.A O no hydrogen 2.876 N/A TYR 342.A N ASP 338.A O no hydrogen 2.937 N/A TYR 342.A N LEU 339.A O no hydrogen 3.253 N/A LYS 343.A N LEU 339.A O no hydrogen 2.815 N/A LYS 343.A NZ PHE 340.A O no hydrogen 2.905 N/A CYS 348.A SG THR 344.A O no hydrogen 3.508 N/A CYS 348.A SG GLU 345.A O no hydrogen 3.128 N/A ARG 349.A N GLU 345.A O no hydrogen 2.709 N/A ALA 350.A N ASN 346.A O no hydrogen 2.636 N/A ALA 350.A N ALA 347.A O no hydrogen 2.942 N/A ALA 351.A N ALA 347.A O no hydrogen 3.098 N/A GLY 352.A N ARG 349.A O no hydrogen 3.423 N/A TYR 354.A OH GLU 333.A OE1 no hydrogen 2.701 N/A LYS 357.A N GLY 332.A O no hydrogen 2.838 N/A TYR 361.A OH GLU 363.A OE2 no hydrogen 2.560 N/A TYR 361.A OH ASP 366.A OD2 no hydrogen 2.603 N/A GLY 365.A N ASN 294.A O no hydrogen 2.789 N/A ASP 366.A N GLU 363.A O no hydrogen 2.714 N/A ALA 368.A N PHE 296.A O no hydrogen 3.062 N/A HIS 369.A N GLU 333.A O no hydrogen 2.855 N/A