Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 81.A OE1 no hydrogen 2.780 N/A ILE 11.A N SER 89.A O no hydrogen 3.006 N/A GLY 12.A N GLY 112.A O no hydrogen 3.357 N/A VAL 13.A N ILE 91.A O no hydrogen 2.896 N/A VAL 14.A N ILE 114.A O no hydrogen 2.972 N/A HIS 16.A N THR 128.A OG1 no hydrogen 2.946 N/A THR 23.A N GLY 20.A O no hydrogen 3.149 N/A THR 23.A OG1 GLY 20.A O no hydrogen 2.968 N/A LEU 24.A N LYS 21.A O no hydrogen 3.165 N/A GLN 26.A N THR 22.A O no hydrogen 2.870 N/A ALA 27.A N THR 23.A O no hydrogen 2.752 N/A ILE 28.A N VAL 25.A O no hydrogen 2.803 N/A THR 29.A N VAL 25.A O no hydrogen 2.555 N/A THR 29.A OG1 VAL 25.A O no hydrogen 2.968 N/A THR 33.A OG1 LEU 48.A O no hydrogen 3.513 N/A THR 33.A OG1 TYR 50.A O no hydrogen 3.541 N/A SER 34.A OG LEU 48.A O no hydrogen 3.054 N/A SER 37.A N TRP 32.A O no hydrogen 3.203 N/A LEU 40.A N SER 37.A O no hydrogen 3.148 N/A LYS 41.A N SER 37.A O no hydrogen 2.767 N/A GLY 49.A N ASP 92.A O no hydrogen 3.370 N/A TYR 50.A N THR 33.A OG1 no hydrogen 2.668 N/A TYR 50.A OH GLU 52.A OE2 no hydrogen 2.586 N/A ALA 51.A N PHE 90.A O no hydrogen 2.816 N/A THR 53.A N ILE 88.A O no hydrogen 2.761 N/A THR 53.A OG1 ILE 28.A O no hydrogen 3.430 N/A THR 53.A OG1 ASN 54.A O no hydrogen 3.275 N/A ILE 55.A N ARG 86.A O no hydrogen 2.934 N/A GLY 56.A N VAL 68.A O no hydrogen 3.170 N/A VAL 57.A N LYS 83.A O no hydrogen 3.472 N/A CYS 58.A N ALA 66.A O no hydrogen 2.756 N/A CYS 58.A SG SER 60.A OG no hydrogen 3.273 N/A SER 60.A OG SER 78.A OG no hydrogen 3.405 N/A TYR 67.A N PRO 64.A O no hydrogen 3.179 N/A VAL 68.A N GLY 56.A O no hydrogen 2.619 N/A THR 69.A OG1 THR 53.A OG1 no hydrogen 2.872 N/A THR 69.A OG1 ASN 54.A O no hydrogen 3.093 N/A THR 69.A OG1 GLU 70.A OE2 no hydrogen 2.786 N/A LYS 74.A NZ ASP 79.A OD2 no hydrogen 3.383 N/A CYS 76.A N LYS 74.A O no hydrogen 2.518 N/A CYS 76.A SG CYS 73.A O no hydrogen 3.424 N/A CYS 76.A SG SER 78.A OG no hydrogen 3.299 N/A GLY 77.A N LYS 74.A O no hydrogen 3.216 N/A SER 78.A OG SER 60.A OG no hydrogen 3.405 N/A LYS 83.A N VAL 57.A O no hydrogen 3.220 N/A LEU 85.A N ILE 55.A O no hydrogen 3.039 N/A ARG 86.A N ILE 55.A O no hydrogen 3.034 N/A ARG 86.A NE GLU 198.A OE2 no hydrogen 3.350 N/A ARG 86.A NH2 GLU 8.A OE2 no hydrogen 2.756 N/A SER 89.A OG VAL 9.A O no hydrogen 2.922 N/A PHE 90.A N ALA 51.A O no hydrogen 2.625 N/A ILE 91.A N ILE 11.A O no hydrogen 3.052 N/A ASP 92.A N GLY 49.A O no hydrogen 2.988 N/A SER 105.A OG SER 362.A O no hydrogen 3.503 N/A ALA 108.A N LEU 104.A O no hydrogen 2.963 N/A ALA 108.A N SER 105.A O no hydrogen 3.070 N/A LEU 109.A N GLY 106.A O no hydrogen 2.993 N/A ASP 111.A N ASN 10.A O no hydrogen 2.710 N/A ALA 113.A N ASN 142.A O no hydrogen 3.024 N/A ILE 114.A N GLY 12.A O no hydrogen 2.819 N/A LEU 115.A N ILE 144.A O no hydrogen 2.813 N/A VAL 116.A N VAL 14.A O no hydrogen 2.871 N/A VAL 117.A N VAL 146.A O no hydrogen 3.260 N/A ALA 119.A N ASN 148.A O no hydrogen 2.513 N/A GLU 121.A N ALA 118.A O no hydrogen 3.366 N/A GLN 127.A NE2 HIS 131.A NE2 no hydrogen 3.006 N/A ARG 129.A N GLN 125.A O no hydrogen 2.821 N/A HIS 131.A N GLN 127.A O no hydrogen 3.071 N/A PHE 132.A N THR 128.A O no hydrogen 2.963 N/A VAL 133.A N ARG 129.A O no hydrogen 3.287 N/A ALA 134.A N GLU 130.A O no hydrogen 3.320 N/A LEU 135.A N HIS 131.A O no hydrogen 3.256 N/A GLY 136.A N VAL 133.A O no hydrogen 3.059 N/A ILE 137.A N VAL 133.A O no hydrogen 2.935 N/A ILE 138.A N ALA 134.A O no hydrogen 2.714 N/A VAL 140.A N LEU 135.A O no hydrogen 3.072 N/A LYS 141.A NZ ASN 142.A OD1 no hydrogen 3.393 N/A ILE 144.A N ALA 113.A O no hydrogen 2.922 N/A ILE 145.A N PRO 178.A O no hydrogen 2.675 N/A VAL 146.A N LEU 115.A O no hydrogen 2.945 N/A GLN 147.A NE2 ALA 158.A O no hydrogen 2.939 N/A GLN 147.A NE2 GLN 161.A OE1 no hydrogen 2.858 N/A ASN 148.A N VAL 117.A O no hydrogen 3.171 N/A VAL 150.A N VAL 182.A O no hydrogen 3.395 N/A VAL 152.A N LYS 149.A O no hydrogen 2.805 N/A GLU 157.A N SER 154.A OG no hydrogen 2.896 N/A ALA 158.A N SER 154.A O no hydrogen 2.706 N/A LEU 159.A N GLU 156.A O no hydrogen 3.257 N/A SER 160.A N GLU 156.A O no hydrogen 3.277 N/A GLN 161.A N GLU 157.A O no hydrogen 3.373 N/A GLN 161.A NE2 ALA 118.A O no hydrogen 2.904 N/A GLN 161.A NE2 GLU 121.A O no hydrogen 2.769 N/A ARG 163.A N LEU 159.A O no hydrogen 2.988 N/A GLN 164.A NE2 SER 160.A O no hydrogen 2.885 N/A ILE 165.A N GLN 161.A O no hydrogen 2.793 N/A LYS 166.A N TYR 162.A O no hydrogen 2.931 N/A LYS 166.A NZ TYR 162.A OH no hydrogen 3.532 N/A GLN 167.A N ARG 163.A O no hydrogen 2.581 N/A PHE 168.A N GLN 164.A O no hydrogen 2.705 N/A THR 169.A N ILE 165.A O no hydrogen 2.704 N/A THR 169.A N LYS 166.A O no hydrogen 3.214 N/A THR 169.A OG1 ILE 165.A O no hydrogen 2.697 N/A THR 169.A OG1 LYS 166.A O no hydrogen 3.347 N/A ILE 180.A N ILE 145.A O no hydrogen 2.700 N/A VAL 182.A N GLN 147.A O no hydrogen 2.777 N/A SER 183.A OG HIS 186.A O no hydrogen 2.659 N/A HIS 186.A ND1 ASP 151.A OD1 no hydrogen 3.029 N/A ILE 188.A N SER 183.A OG no hydrogen 2.608 N/A SER 192.A OG ASP 191.A OD1 no hydrogen 3.419 N/A LEU 193.A N ASN 189.A O no hydrogen 3.115 N/A ILE 194.A N ILE 190.A O no hydrogen 2.969 N/A GLU 195.A N ASP 191.A O no hydrogen 2.917 N/A GLY 196.A N SER 192.A O no hydrogen 3.057 N/A ILE 197.A N LEU 193.A O no hydrogen 2.943 N/A GLU 198.A N ILE 194.A O no hydrogen 2.885 N/A GLU 198.A N GLU 195.A O no hydrogen 2.808 N/A GLU 199.A N GLY 196.A O no hydrogen 2.828 N/A TYR 200.A N GLY 196.A O no hydrogen 2.681 N/A THR 203.A OG1 GLU 8.A OE2 no hydrogen 2.806 N/A GLN 210.A NE2 ASP 207.A O no hydrogen 3.612 N/A LYS 211.A NZ THR 316.A OG1 no hydrogen 3.236 N/A VAL 213.A N GLN 243.A O no hydrogen 2.990 N/A MET 214.A N ILE 315.A O no hydrogen 2.636 N/A LEU 215.A N SER 240.A O no hydrogen 3.116 N/A SER 219.A N ASP 308.A OD1 no hydrogen 3.381 N/A SER 219.A OG THR 305.A O no hydrogen 2.829 N/A ASN 223.A N ASP 221.A OD2 no hydrogen 3.353 N/A LYS 224.A NZ ASP 221.A O no hydrogen 3.040 N/A THR 227.A N LYS 224.A O no hydrogen 3.040 N/A THR 227.A OG1 LYS 224.A O no hydrogen 2.662 N/A GLU 231.A N GLN 228.A O no hydrogen 2.914 N/A ILE 237.A N ILE 296.A O no hydrogen 3.016 N/A GLY 238.A N ARG 218.A O no hydrogen 2.484 N/A ILE 242.A N VAL 213.A O no hydrogen 2.802 N/A GLN 243.A N VAL 213.A O no hydrogen 3.445 N/A GLN 243.A NE2 LYS 211.A O no hydrogen 3.161 N/A PHE 246.A N ALA 288.A O no hydrogen 3.082 N/A LYS 247.A N GLN 250.A OE1 no hydrogen 3.471 N/A LYS 247.A NZ GLU 287.A OE2 no hydrogen 2.858 N/A ASP 249.A N ILE 275.A O no hydrogen 2.693 N/A LYS 253.A N THR 316.A O no hydrogen 2.776 N/A VAL 254.A N ILE 271.A O no hydrogen 3.053 N/A LEU 255.A N ILE 314.A O no hydrogen 2.970 N/A LEU 258.A N GLU 269.A O no hydrogen 2.872 N/A VAL 260.A N SER 267.A O no hydrogen 3.015 N/A SER 267.A OG GLU 269.A OE2 no hydrogen 3.331 N/A GLU 269.A N LEU 258.A O no hydrogen 2.669 N/A ILE 271.A N VAL 254.A O no hydrogen 3.303 N/A ILE 275.A N GLN 250.A O no hydrogen 2.766 N/A SER 276.A N GLY 297.A O no hydrogen 2.613 N/A LYS 289.A NZ GLU 287.A OE1 no hydrogen 3.513 N/A LEU 293.A N TYR 50.A OH no hydrogen 3.017 N/A VAL 294.A N GLY 239.A O no hydrogen 3.303 N/A ILE 296.A N ILE 237.A O no hydrogen 2.795 N/A GLY 297.A N SER 277.A O no hydrogen 3.026 N/A SER 303.A N ASP 301.A OD1 no hydrogen 3.249 N/A SER 303.A OG ASP 301.A OD1 no hydrogen 2.844 N/A SER 303.A OG ASP 301.A OD2 no hydrogen 2.833 N/A LEU 304.A N ASP 301.A O no hydrogen 2.535 N/A THR 305.A N PRO 302.A O no hydrogen 2.899 N/A THR 305.A OG1 PRO 302.A O no hydrogen 2.859 N/A LYS 306.A N PRO 302.A O no hydrogen 2.751 N/A ASP 308.A N SER 219.A O no hydrogen 2.494 N/A ASN 309.A N THR 305.A O no hydrogen 3.327 N/A ASN 309.A ND2 LEU 304.A O no hydrogen 2.649 N/A LEU 310.A N SER 219.A OG no hydrogen 3.199 N/A GLY 312.A N VAL 216.A O no hydrogen 2.738 N/A SER 313.A N LEU 310.A O no hydrogen 3.028 N/A SER 313.A OG LEU 255.A O no hydrogen 3.396 N/A SER 313.A OG LEU 310.A O no hydrogen 2.953 N/A ILE 315.A N MET 214.A O no hydrogen 2.525 N/A THR 316.A N LYS 253.A O no hydrogen 2.882 N/A ALA 318.A N GLU 251.A O no hydrogen 2.980 N/A LEU 325.A N VAL 385.A O no hydrogen 2.912 N/A ILE 328.A N VAL 379.A O no hydrogen 2.942 N/A ARG 329.A NE GLU 376.A OE2 no hydrogen 2.716 N/A ILE 330.A N ILE 377.A O no hydrogen 3.036 N/A LYS 331.A N LEU 411.A O no hydrogen 3.250 N/A LYS 331.A N GLU 413.A OE2 no hydrogen 3.389 N/A TYR 332.A N ASP 375.A O no hydrogen 2.900 N/A TYR 332.A OH LYS 373.A O no hydrogen 2.537 N/A LEU 335.A N ILE 407.A O no hydrogen 2.786 N/A VAL 338.A N LEU 345.A O no hydrogen 3.152 N/A LEU 345.A N VAL 338.A O no hydrogen 2.746 N/A ARG 351.A NH2 ASP 348.A OD2 no hydrogen 3.201 N/A LYS 353.A N VAL 369.A O no hydrogen 3.033 N/A LEU 356.A N GLY 367.A O no hydrogen 2.785 N/A MET 357.A N SER 397.A O no hydrogen 2.855 N/A LEU 358.A N THR 365.A O no hydrogen 2.621 N/A SER 359.A N VAL 395.A O no hydrogen 2.979 N/A SER 359.A OG THR 364.A OG1 no hydrogen 3.060 N/A SER 362.A OG VAL 216.A O no hydrogen 2.842 N/A SER 363.A N VAL 360.A O no hydrogen 3.188 N/A SER 363.A OG VAL 360.A O no hydrogen 2.769 N/A THR 364.A OG1 THR 102.A O no hydrogen 3.536 N/A THR 364.A OG1 SER 359.A OG no hydrogen 3.060 N/A THR 365.A N LEU 358.A O no hydrogen 2.600 N/A GLY 367.A N LEU 356.A O no hydrogen 2.931 N/A ILE 368.A N GLU 380.A O no hydrogen 3.009 N/A VAL 369.A N GLU 354.A O no hydrogen 3.013 N/A THR 370.A N GLU 378.A O no hydrogen 2.687 N/A THR 370.A OG1 GLU 378.A O no hydrogen 3.556 N/A THR 370.A OG1 GLU 378.A OE2 no hydrogen 2.954 N/A LYS 373.A N GLU 376.A O no hydrogen 2.785 N/A LYS 373.A NZ SER 371.A OG no hydrogen 2.570 N/A LYS 374.A NZ ASP 375.A OD1 no hydrogen 3.359 N/A ILE 377.A N ILE 330.A O no hydrogen 3.248 N/A GLU 378.A N SER 371.A O no hydrogen 2.922 N/A VAL 379.A N ILE 328.A O no hydrogen 2.669 N/A GLU 380.A N ILE 368.A O no hydrogen 2.633 N/A ARG 382.A N LEU 366.A O no hydrogen 3.187 N/A TRP 388.A NE1 GLN 243.A OE1 no hydrogen 3.050 N/A ASN 390.A ND2 ASN 390.A O no hydrogen 2.683 N/A ASN 390.A ND2 VAL 412.A O no hydrogen 2.674 N/A ASN 390.A ND2 GLU 413.A OE1 no hydrogen 3.458 N/A ILE 392.A N SER 389.A O no hydrogen 3.242 N/A ARG 393.A NH2 ILE 137.A O no hydrogen 2.933 N/A THR 394.A N GLY 410.A O no hydrogen 2.821 N/A THR 394.A OG1 SER 359.A O no hydrogen 3.334 N/A VAL 395.A N SER 359.A O no hydrogen 2.968 N/A ILE 396.A N GLY 408.A O no hydrogen 2.932 N/A SER 397.A N MET 357.A O no hydrogen 2.920 N/A ARG 398.A N ARG 405.A O no hydrogen 3.139 N/A GLN 399.A NE2 ALA 401.A O no hydrogen 3.330 N/A ARG 405.A N ARG 398.A O no hydrogen 3.367 N/A ILE 407.A N ILE 396.A O no hydrogen 2.783 N/A GLY 410.A N THR 394.A O no hydrogen 3.166 N/A VAL 412.A N ILE 392.A O no hydrogen 2.940 N/A GLU 413.A N ARG 329.A O no hydrogen 2.630 N/A