Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2npi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ASP 3.A OD2 no hydrogen 3.355 N/A HIS 7.A N TRP 68.A O no hydrogen 2.899 N/A LEU 9.A N LEU 66.A O no hydrogen 2.917 N/A ILE 11.A N THR 64.A O no hydrogen 3.078 N/A GLY 14.A N ALA 60.A O no hydrogen 2.791 N/A SER 15.A N PRO 12.A O no hydrogen 3.242 N/A ASP 16.A N LYS 81.A O no hydrogen 2.833 N/A TRP 17.A N ILE 58.A O no hydrogen 2.819 N/A ILE 19.A N PHE 56.A O no hydrogen 2.944 N/A GLU 24.A N ASN 53.A OD1 no hydrogen 3.177 N/A GLY 25.A N LYS 22.A O no hydrogen 3.180 N/A GLY 25.A N ALA 23.A O no hydrogen 2.641 N/A LEU 27.A N PHE 51.A O no hydrogen 3.028 N/A ILE 28.A N LYS 69.A O no hydrogen 3.028 N/A VAL 29.A N TYR 49.A O no hydrogen 2.689 N/A LYS 30.A N LEU 67.A O no hydrogen 2.781 N/A ASN 32.A ND2 GLU 65.A OE2 no hydrogen 2.918 N/A ILE 35.A N THR 64.A OG1 no hydrogen 3.114 N/A GLU 37.A N TYR 59.A O no hydrogen 2.919 N/A ILE 38.A N THR 41.A O no hydrogen 2.868 N/A THR 41.A N ILE 38.A O no hydrogen 3.285 N/A THR 41.A OG1 SER 125.A OG no hydrogen 2.803 N/A LEU 43.A N VAL 36.A O no hydrogen 2.935 N/A ALA 44.A N TYR 49.A OH no hydrogen 2.928 N/A ASP 46.A N VAL 31.A O no hydrogen 2.703 N/A TYR 49.A N VAL 29.A O no hydrogen 2.787 N/A THR 50.A N GLN 165.A OE1 no hydrogen 3.181 N/A PHE 51.A N LEU 27.A O no hydrogen 2.761 N/A LYS 55.A N TYR 298.A OH no hydrogen 3.036 N/A PHE 56.A N ILE 19.A O no hydrogen 2.969 N/A TYR 59.A N GLU 37.A O no hydrogen 2.838 N/A ALA 60.A N SER 15.A O no hydrogen 2.979 N/A VAL 61.A N ILE 35.A O no hydrogen 2.873 N/A GLU 62.A N ILE 35.A O no hydrogen 3.396 N/A THR 64.A OG1 ILE 35.A O no hydrogen 3.303 N/A THR 64.A OG1 GLU 62.A O no hydrogen 2.798 N/A GLU 65.A N SER 33.A O no hydrogen 3.071 N/A GLU 65.A N SER 33.A OG no hydrogen 3.322 N/A LEU 66.A N LEU 9.A O no hydrogen 3.131 N/A LEU 67.A N LYS 30.A O no hydrogen 2.710 N/A TRP 68.A N HIS 7.A O no hydrogen 3.028 N/A LYS 69.A N ILE 28.A O no hydrogen 2.937 N/A LYS 69.A NZ ASN 4.A O no hydrogen 3.114 N/A CYS 70.A SG LYS 26.A O no hydrogen 3.703 N/A CYS 70.A SG ASP 72.A OD1 no hydrogen 3.828 N/A LEU 73.A N CYS 70.A O no hydrogen 3.338 N/A THR 74.A OG1 THR 1.A O no hydrogen 3.561 N/A LYS 81.A N ASP 16.A O no hydrogen 3.097 N/A ASN 83.A N GLY 14.A O no hydrogen 2.874 N/A ASN 83.A ND2 ASP 16.A OD2 no hydrogen 2.771 N/A HIS 84.A N ASP 289.A OD2 no hydrogen 2.900 N/A THR 85.A OG1 ASN 83.A OD1 no hydrogen 3.525 N/A ASN 90.A N LYS 86.A O no hydrogen 3.085 N/A HIS 92.A N ILE 88.A O no hydrogen 3.137 N/A HIS 92.A N TYR 89.A O no hydrogen 2.806 N/A PHE 93.A N TYR 89.A O no hydrogen 3.171 N/A GLU 95.A N HIS 92.A O no hydrogen 2.650 N/A LYS 96.A N PHE 93.A O no hydrogen 3.184 N/A LYS 96.A NZ PHE 93.A O no hydrogen 3.217 N/A ARG 98.A N LEU 94.A O no hydrogen 3.004 N/A SER 99.A OG LYS 96.A O no hydrogen 3.024 N/A ASN 100.A N ILE 97.A O no hydrogen 3.067 N/A GLY 103.A N ARG 223.A O no hydrogen 3.043 N/A ARG 105.A N ASN 254.A OD1 no hydrogen 2.820 N/A ARG 105.A NH1 ASN 252.A O no hydrogen 3.173 N/A VAL 106.A N CYS 227.A O no hydrogen 2.778 N/A VAL 107.A N ILE 255.A O no hydrogen 3.085 N/A ILE 108.A N VAL 229.A O no hydrogen 2.800 N/A VAL 109.A N LEU 256.A O no hydrogen 2.795 N/A THR 114.A OG1 LEU 258.A O no hydrogen 3.548 N/A THR 117.A OG1 ASP 230.A OD2 no hydrogen 2.790 N/A LEU 119.A N GLY 115.A O no hydrogen 2.652 N/A SER 120.A N LYS 116.A O no hydrogen 2.697 N/A SER 120.A OG LYS 116.A O no hydrogen 2.935 N/A ARG 121.A N THR 117.A O no hydrogen 2.758 N/A ARG 121.A NH1 LEU 166.A O no hydrogen 3.055 N/A ARG 121.A NH2 LEU 166.A O no hydrogen 2.941 N/A THR 122.A N SER 118.A O no hydrogen 2.984 N/A THR 122.A OG1 SER 118.A O no hydrogen 2.653 N/A LEU 123.A N LEU 119.A O no hydrogen 3.056 N/A CYS 124.A N SER 120.A O no hydrogen 3.061 N/A CYS 124.A SG SER 120.A O no hydrogen 3.198 N/A SER 125.A N ARG 121.A O no hydrogen 2.713 N/A SER 125.A OG PHE 39.A O no hydrogen 3.239 N/A TYR 126.A N THR 122.A O no hydrogen 3.108 N/A ALA 127.A N CYS 124.A O no hydrogen 3.006 N/A ASN 131.A ND2 GLU 95.A OE2 no hydrogen 2.789 N/A TYR 133.A N ALA 127.A O no hydrogen 3.361 N/A GLN 134.A N SER 225.A OG no hydrogen 2.774 N/A GLN 134.A NE2 GLN 221.A OE1 no hydrogen 2.793 N/A TYR 137.A N THR 156.A O no hydrogen 2.785 N/A TYR 137.A OH ASP 230.A OD2 no hydrogen 3.220 N/A ILE 138.A N ILE 228.A O no hydrogen 2.933 N/A ASN 139.A N SER 154.A O no hydrogen 2.887 N/A ASN 139.A ND2 GLN 144.A O no hydrogen 3.049 N/A LEU 140.A N ASP 230.A O no hydrogen 2.919 N/A ASP 141.A N ASN 139.A OD1 no hydrogen 2.981 N/A GLN 144.A N ASP 141.A O no hydrogen 2.809 N/A PHE 147.A N THR 168.A O no hydrogen 3.151 N/A THR 148.A OG1 ILE 146.A O no hydrogen 3.420 N/A GLY 151.A N PRO 142.A O no hydrogen 2.614 N/A CYS 152.A SG VAL 149.A O no hydrogen 3.344 N/A CYS 152.A SG PRO 150.A O no hydrogen 3.507 N/A SER 154.A N ASN 139.A O no hydrogen 3.004 N/A THR 156.A N TYR 137.A O no hydrogen 2.784 N/A ILE 158.A N PRO 135.A O no hydrogen 3.045 N/A ASP 163.A N TRP 169.A O no hydrogen 2.768 N/A GLN 165.A N ASP 163.A OD1 no hydrogen 3.086 N/A THR 168.A OG1 GLY 170.A O no hydrogen 3.243 N/A THR 168.A OG1 GLU 309.A OE1 no hydrogen 2.586 N/A THR 168.A OG1 GLU 309.A OE2 no hydrogen 3.398 N/A TRP 169.A N LEU 166.A O no hydrogen 3.197 N/A GLY 170.A N THR 168.A O no hydrogen 2.774 N/A GLN 171.A NE2 THR 317.A OG1 no hydrogen 2.891 N/A SER 172.A OG LEU 173.A O no hydrogen 3.467 N/A THR 178.A OG1 LEU 180.A O no hydrogen 2.783 N/A LYS 183.A N GLN 171.A O no hydrogen 3.066 N/A LYS 183.A NZ ASP 160.A O no hydrogen 2.786 N/A LYS 187.A N ILE 153.A O no hydrogen 3.187 N/A GLY 190.A N GLY 151.A O no hydrogen 2.713 N/A GLU 192.A N GLU 196.A OE1 no hydrogen 3.240 N/A GLU 196.A N ARG 193.A O no hydrogen 3.059 N/A ASN 197.A N ILE 194.A O no hydrogen 3.206 N/A ASN 197.A ND2 SER 337.A O no hydrogen 2.766 N/A ASN 197.A ND2 ARG 346.A O no hydrogen 3.132 N/A LYS 198.A NZ GLU 243.A OE2 no hydrogen 3.034 N/A LEU 200.A N ASN 197.A OD1 no hydrogen 3.225 N/A TYR 201.A N ASN 197.A O no hydrogen 3.130 N/A TYR 201.A OH LEU 140.A O no hydrogen 2.563 N/A LEU 202.A N LYS 198.A O no hydrogen 3.223 N/A GLU 203.A N ASP 199.A O no hydrogen 2.782 N/A CYS 204.A N LEU 200.A O no hydrogen 2.885 N/A CYS 204.A SG ASN 188.A O no hydrogen 3.618 N/A CYS 204.A SG LEU 200.A O no hydrogen 3.732 N/A ILE 205.A N TYR 201.A O no hydrogen 3.187 N/A SER 206.A N LEU 202.A O no hydrogen 2.807 N/A SER 206.A OG HIS 246.A NE2 no hydrogen 3.417 N/A GLN 207.A N GLU 203.A O no hydrogen 3.133 N/A GLN 207.A NE2 ILE 379.A O no hydrogen 3.355 N/A LEU 208.A N CYS 204.A O no hydrogen 2.879 N/A GLY 209.A N ILE 205.A O no hydrogen 2.869 N/A GLN 210.A N SER 206.A O no hydrogen 3.213 N/A VAL 211.A N GLN 207.A O no hydrogen 3.283 N/A VAL 212.A N LEU 208.A O no hydrogen 2.924 N/A GLY 213.A N GLY 209.A O no hydrogen 2.988 N/A GLN 214.A N GLN 210.A O no hydrogen 3.149 N/A ARG 215.A N VAL 211.A O no hydrogen 3.099 N/A LEU 216.A N VAL 212.A O no hydrogen 2.977 N/A HIS 217.A N GLY 213.A O no hydrogen 2.799 N/A LEU 218.A N ARG 215.A O no hydrogen 2.825 N/A ASP 219.A N ARG 215.A O no hydrogen 2.506 N/A VAL 222.A N ASP 219.A OD1 no hydrogen 3.333 N/A ARG 223.A N ASP 219.A O no hydrogen 3.204 N/A ARG 223.A NE LEU 216.A O no hydrogen 2.763 N/A ARG 224.A N PRO 220.A O no hydrogen 2.842 N/A ARG 224.A NH1 PHE 101.A O no hydrogen 2.724 N/A SER 225.A N GLN 221.A O no hydrogen 2.782 N/A SER 225.A OG GLN 221.A O no hydrogen 2.566 N/A CYS 227.A SG LEU 136.A O no hydrogen 3.794 N/A ILE 228.A N LEU 136.A O no hydrogen 2.865 N/A VAL 229.A N VAL 106.A O no hydrogen 2.663 N/A ASP 230.A N ILE 138.A O no hydrogen 2.853 N/A THR 231.A OG1 ILE 108.A O no hydrogen 2.851 N/A THR 231.A OG1 PRO 232.A O no hydrogen 3.374 N/A SER 233.A OG SER 235.A OG no hydrogen 2.846 N/A ILE 234.A N GLY 110.A O no hydrogen 3.303 N/A SER 235.A OG SER 233.A OG no hydrogen 2.846 N/A GLN 236.A N SER 233.A O no hydrogen 2.830 N/A LEU 237.A N ILE 234.A O no hydrogen 3.432 N/A ASP 238.A N GLU 243.A OE1 no hydrogen 3.337 N/A ASP 238.A N GLU 243.A OE2 no hydrogen 3.061 N/A LEU 241.A N ASP 238.A O no hydrogen 2.982 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.617 N/A HIS 246.A N ALA 242.A O no hydrogen 3.429 N/A ILE 247.A N GLU 243.A O no hydrogen 2.869 N/A ILE 248.A N LEU 244.A O no hydrogen 2.828 N/A GLU 249.A N HIS 245.A O no hydrogen 3.029 N/A LYS 250.A N HIS 246.A O no hydrogen 3.175 N/A LEU 251.A N ILE 247.A O no hydrogen 2.986 N/A VAL 253.A N ILE 248.A O no hydrogen 2.925 N/A ASN 254.A N ARG 105.A O no hydrogen 3.189 N/A ILE 255.A N ARG 105.A O no hydrogen 3.392 N/A VAL 257.A N PHE 283.A O no hydrogen 2.798 N/A LEU 258.A N VAL 109.A O no hydrogen 2.976 N/A CYS 259.A N ILE 285.A O no hydrogen 3.033 N/A CYS 259.A SG SER 260.A O no hydrogen 3.921 N/A LEU 265.A N ASP 263.A OD1 no hydrogen 3.148 N/A GLU 267.A N PRO 264.A O no hydrogen 3.249 N/A LYS 268.A N PRO 264.A O no hydrogen 3.384 N/A LYS 268.A NZ GLU 239.A O no hydrogen 2.764 N/A VAL 269.A N LEU 265.A O no hydrogen 3.012 N/A LYS 270.A N TRP 266.A O no hydrogen 3.232 N/A LYS 271.A N GLU 267.A O no hydrogen 3.112 N/A THR 272.A N LYS 268.A O no hydrogen 2.799 N/A THR 272.A OG1 LYS 268.A O no hydrogen 2.514 N/A PHE 273.A N VAL 269.A O no hydrogen 2.904 N/A GLY 274.A N LYS 270.A O no hydrogen 2.992 N/A LEU 277.A N PHE 273.A O no hydrogen 2.902 N/A GLY 278.A N GLY 274.A O no hydrogen 2.636 N/A ASN 281.A N GLY 278.A O no hydrogen 2.804 N/A ASN 281.A ND2 LEU 277.A O no hydrogen 2.787 N/A ILE 282.A N ASN 279.A O no hydrogen 3.234 N/A ILE 285.A N VAL 257.A O no hydrogen 2.975 N/A LYS 287.A NZ SER 260.A OG no hydrogen 3.213 N/A ASP 289.A N THR 85.A OG1 no hydrogen 2.721 N/A VAL 297.A N ASP 295.A OD2 no hydrogen 3.251 N/A LYS 299.A N ASP 295.A O no hydrogen 3.399 N/A ARG 300.A N ASP 296.A O no hydrogen 2.799 N/A SER 301.A N VAL 297.A O no hydrogen 2.908 N/A LEU 302.A N TYR 298.A O no hydrogen 2.935 N/A GLN 303.A N LYS 299.A O no hydrogen 3.117 N/A GLN 303.A NE2 GLN 143.A O no hydrogen 2.900 N/A ARG 304.A N ARG 300.A O no hydrogen 2.970 N/A ARG 304.A NH1 LEU 421.A O no hydrogen 2.761 N/A ARG 304.A NH2 LEU 421.A O no hydrogen 2.993 N/A THR 305.A N SER 301.A O no hydrogen 2.931 N/A THR 305.A OG1 SER 301.A O no hydrogen 3.142 N/A SER 306.A N LEU 302.A O no hydrogen 3.242 N/A SER 306.A OG GLN 303.A O no hydrogen 2.701 N/A ILE 307.A N GLN 303.A O no hydrogen 3.212 N/A ARG 308.A N ARG 304.A O no hydrogen 3.223 N/A GLU 309.A N THR 305.A O no hydrogen 2.803 N/A TYR 310.A N SER 306.A O no hydrogen 2.796 N/A PHE 311.A N ILE 307.A O no hydrogen 3.424 N/A PHE 311.A N ARG 308.A O no hydrogen 3.095 N/A TYR 312.A N ARG 308.A O no hydrogen 2.745 N/A GLY 313.A N GLU 309.A O no hydrogen 2.890 N/A SER 314.A OG ASP 316.A OD1 no hydrogen 3.138 N/A SER 314.A OG THR 317.A OG1 no hydrogen 2.647 N/A THR 317.A N SER 314.A O no hydrogen 3.288 N/A THR 317.A OG1 SER 314.A OG no hydrogen 2.647 N/A ALA 318.A N SER 314.A O no hydrogen 3.034 N/A LEU 319.A N TYR 312.A O no hydrogen 2.531 N/A TYR 322.A N LEU 403.A O no hydrogen 2.986 N/A ILE 324.A N VAL 401.A O no hydrogen 2.825 N/A VAL 326.A N LEU 399.A O no hydrogen 2.762 N/A ASP 327.A N ASP 330.A OD2 no hydrogen 3.284 N/A TYR 328.A N ARG 397.A O no hydrogen 2.961 N/A TYR 328.A OH ASN 393.A O no hydrogen 3.228 N/A ASP 330.A N ASP 327.A O no hydrogen 3.312 N/A LEU 331.A N TYR 328.A O no hydrogen 3.447 N/A LYS 335.A N PHE 350.A O no hydrogen 2.945 N/A LYS 335.A NZ ASP 341.A OD2 no hydrogen 2.831 N/A SER 337.A OG ARG 346.A O no hydrogen 3.441 N/A SER 337.A OG GLU 348.A O no hydrogen 3.177 N/A GLU 343.A N VAL 339.A O no hydrogen 3.065 N/A VAL 344.A N ASN 342.A O no hydrogen 2.673 N/A LEU 349.A N GLN 375.A OE1 no hydrogen 3.041 N/A PHE 350.A N LYS 335.A O no hydrogen 2.935 N/A VAL 352.A N ILE 333.A O no hydrogen 2.935 N/A ASN 358.A N THR 355.A O no hydrogen 2.760 N/A LEU 359.A N THR 355.A O no hydrogen 3.100 N/A HIS 361.A N ILE 389.A O no hydrogen 2.774 N/A ALA 362.A N LEU 359.A O no hydrogen 3.156 N/A ILE 363.A N TYR 418.A O no hydrogen 2.996 N/A ILE 364.A N ALA 387.A O no hydrogen 2.723 N/A ALA 365.A N ILE 414.A O no hydrogen 2.779 N/A ILE 366.A N GLY 385.A O no hydrogen 2.813 N/A THR 367.A N ALA 413.A O no hydrogen 3.124 N/A THR 367.A OG1 ALA 413.A O no hydrogen 2.681 N/A ARG 371.A NH1 GLU 329.A O no hydrogen 2.785 N/A ARG 371.A NH2 GLU 329.A O no hydrogen 3.035 N/A THR 377.A N ASP 374.A O no hydrogen 2.979 N/A THR 377.A OG1 ASP 374.A OD2 no hydrogen 2.697 N/A VAL 378.A N ASP 374.A O no hydrogen 3.291 N/A ILE 379.A N GLN 375.A O no hydrogen 2.993 N/A SER 381.A N VAL 378.A O no hydrogen 3.238 N/A SER 381.A OG VAL 378.A O no hydrogen 3.332 N/A LEU 384.A N ILE 366.A O no hydrogen 2.568 N/A GLY 385.A N ILE 366.A O no hydrogen 3.416 N/A PHE 386.A N TYR 310.A OH no hydrogen 2.883 N/A ALA 387.A N ILE 364.A O no hydrogen 2.854 N/A LEU 388.A N LEU 402.A O no hydrogen 3.094 N/A ILE 389.A N ALA 362.A O no hydrogen 3.228 N/A THR 390.A N ARG 400.A O no hydrogen 2.801 N/A LEU 399.A N VAL 326.A O no hydrogen 2.482 N/A ARG 400.A N GLU 391.A O no hydrogen 3.156 N/A VAL 401.A N ILE 324.A O no hydrogen 2.953 N/A LEU 402.A N LEU 388.A O no hydrogen 2.702 N/A LEU 403.A N TYR 322.A O no hydrogen 2.656 N/A LYS 412.A NZ PHE 368.A O no hydrogen 3.190 N/A ALA 413.A N ALA 369.A O no hydrogen 3.032 N/A ILE 414.A N ALA 365.A O no hydrogen 2.818 N/A LEU 415.A N TRP 334.A O no hydrogen 2.788 N/A THR 416.A N ILE 363.A O no hydrogen 3.270 N/A THR 416.A OG1 ILE 363.A O no hydrogen 2.795 N/A SER 417.A N GLY 190.A O no hydrogen 2.698 N/A SER 417.A OG GLY 190.A O no hydrogen 3.446 N/A TYR 418.A N THR 416.A OG1 no hydrogen 3.050 N/A TYR 418.A OH LEU 191.A O no hydrogen 3.241 N/A ARG 419.A NH1 THR 416.A O no hydrogen 3.081 N/A ARG 419.A NH1 TYR 418.A O no hydrogen 2.950 N/A TYR 420.A N HIS 361.A O no hydrogen 2.756 N/A