Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q1n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 37.A OD2 no hydrogen 2.426 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.654 N/A LYS 6.A N SER 2.A O no hydrogen 3.471 N/A LYS 6.A N TYR 3.A O no hydrogen 2.919 N/A LYS 6.A NZ ASP 27.A OD2 no hydrogen 3.068 N/A PHE 7.A N TYR 26.A O no hydrogen 2.778 N/A GLY 9.A N THR 24.A O no hydrogen 2.913 N/A ILE 10.A N TYR 135.A O no hydrogen 2.740 N/A ALA 11.A N LYS 22.A O no hydrogen 3.082 N/A ILE 12.A N LEU 64.A O no hydrogen 2.788 N/A HIS 15.A ND1 ALA 53.A O no hydrogen 2.688 N/A ASP 17.A N SER 14.A O no hydrogen 2.966 N/A ASP 17.A N SER 14.A OG no hydrogen 3.259 N/A TRP 18.A N HIS 15.A O no hydrogen 3.223 N/A LYS 19.A NZ GLU 341.A OE1 no hydrogen 3.354 N/A ASN 20.A N ASP 17.A O no hydrogen 2.747 N/A ASN 20.A ND2 LYS 19.A O no hydrogen 2.994 N/A LYS 22.A N ALA 11.A O no hydrogen 2.977 N/A THR 24.A N GLY 9.A O no hydrogen 2.676 N/A THR 24.A OG1 GLN 13.A OE1 no hydrogen 3.091 N/A THR 24.A OG1 LYS 22.A O no hydrogen 2.889 N/A TYR 26.A N PHE 7.A O no hydrogen 2.776 N/A TYR 32.A N ASP 35.A OD2 no hydrogen 2.798 N/A TYR 32.A OH ASP 127.A OD2 no hydrogen 3.055 N/A HIS 34.A ND1 GLU 143.A OE1 no hydrogen 2.815 N/A ASP 35.A N TYR 32.A O no hydrogen 2.726 N/A ILE 36.A N VAL 141.A O no hydrogen 2.708 N/A ASP 37.A N LYS 76.A O no hydrogen 3.134 N/A ILE 38.A N VAL 139.A O no hydrogen 2.913 N/A LYS 39.A N LYS 73.A O no hydrogen 2.782 N/A ILE 40.A N ASN 137.A O no hydrogen 2.639 N/A GLU 41.A N VAL 71.A O no hydrogen 3.240 N/A CYS 43.A N LEU 351.A O no hydrogen 3.016 N/A CYS 43.A SG GLY 44.A O no hydrogen 3.873 N/A CYS 43.A SG GLU 69.A O no hydrogen 3.636 N/A GLY 44.A N GLU 69.A O no hydrogen 2.816 N/A VAL 45.A N PHE 349.A O no hydrogen 2.487 N/A CYS 46.A N ASP 49.A OD2 no hydrogen 2.689 N/A CYS 46.A SG HIS 68.A NE2 no hydrogen 3.473 N/A CYS 46.A SG GLU 69.A OE2 no hydrogen 3.790 N/A ASP 49.A N CYS 46.A O no hydrogen 2.466 N/A HIS 51.A N GLY 47.A O no hydrogen 3.138 N/A CYS 52.A N SER 48.A O no hydrogen 2.909 N/A CYS 52.A SG SER 122.A OG no hydrogen 2.910 N/A ALA 53.A N ASP 49.A O no hydrogen 3.041 N/A ALA 54.A N ILE 50.A O no hydrogen 3.066 N/A GLY 55.A N CYS 52.A O no hydrogen 2.724 N/A HIS 56.A N HIS 51.A O no hydrogen 2.740 N/A GLY 58.A N GLY 55.A O no hydrogen 2.848 N/A MET 60.A N HIS 15.A NE2 no hydrogen 2.800 N/A LEU 64.A N ILE 12.A O no hydrogen 3.126 N/A VAL 65.A N GLN 132.A OE1 no hydrogen 3.095 N/A ILE 70.A N VAL 93.A O no hydrogen 2.979 N/A VAL 71.A N ALA 42.A O no hydrogen 2.947 N/A GLY 72.A N VAL 91.A O no hydrogen 3.125 N/A LYS 73.A N LYS 39.A O no hydrogen 2.752 N/A VAL 74.A N GLN 89.A O no hydrogen 2.911 N/A VAL 75.A N ASP 37.A O no hydrogen 2.904 N/A GLY 78.A N ASP 35.A O no hydrogen 3.144 N/A LYS 80.A N ASP 33.A O no hydrogen 2.828 N/A SER 81.A N GLY 78.A O no hydrogen 3.009 N/A SER 81.A OG GLU 143.A OE2 no hydrogen 3.545 N/A ASN 82.A N GLU 143.A OE2 no hydrogen 3.240 N/A ASN 82.A ND2 LYS 80.A O no hydrogen 3.048 N/A SER 83.A N GLU 143.A OE2 no hydrogen 2.841 N/A SER 83.A OG GLU 143.A OE2 no hydrogen 2.562 N/A GLY 88.A N VAL 74.A O no hydrogen 2.621 N/A ARG 90.A NE SER 155.A OG no hydrogen 3.058 N/A ARG 90.A NH2 ILE 153.A O no hydrogen 2.550 N/A ARG 90.A NH2 SER 155.A OG no hydrogen 3.368 N/A VAL 91.A N GLY 72.A O no hydrogen 2.880 N/A GLY 92.A N VAL 147.A O no hydrogen 2.611 N/A VAL 93.A N ILE 70.A O no hydrogen 2.944 N/A GLN 96.A NE2 PHE 98.A O no hydrogen 3.013 N/A GLN 96.A NE2 GLU 111.A O no hydrogen 2.577 N/A VAL 97.A N VAL 118.A O no hydrogen 3.272 N/A ARG 105.A NH1 TYR 113.A O no hydrogen 3.031 N/A CYS 106.A SG SER 99.A OG no hydrogen 2.763 N/A LYS 107.A N CYS 103.A O no hydrogen 3.075 N/A ASN 108.A N ASP 104.A O no hydrogen 2.665 N/A ASP 109.A N CYS 106.A O no hydrogen 2.712 N/A ASN 110.A N ARG 105.A O no hydrogen 2.533 N/A GLU 111.A N GLU 111.A OE1 no hydrogen 2.337 N/A TYR 113.A N ASN 110.A O no hydrogen 2.732 N/A CYS 114.A N GLU 111.A O no hydrogen 3.343 N/A PHE 117.A N CYS 114.A O no hydrogen 3.152 N/A VAL 118.A N PHE 98.A O no hydrogen 3.398 N/A THR 119.A N GLN 123.A OE1 no hydrogen 2.900 N/A THR 119.A OG1 ALA 95.A O no hydrogen 3.004 N/A THR 120.A N ALA 95.A O no hydrogen 2.535 N/A THR 120.A OG1 GLY 94.A O no hydrogen 2.513 N/A TYR 121.A OH ASP 49.A OD1 no hydrogen 2.493 N/A SER 122.A N SER 131.A O no hydrogen 2.808 N/A GLN 123.A N SER 131.A OG no hydrogen 3.003 N/A GLN 123.A NE2 PHE 117.A O no hydrogen 2.747 N/A TYR 125.A N TYR 129.A O no hydrogen 2.649 N/A GLY 128.A N TYR 125.A O no hydrogen 2.736 N/A TYR 129.A N ASP 127.A OD1 no hydrogen 3.086 N/A TYR 129.A OH ASP 27.A O no hydrogen 2.628 N/A SER 131.A N GLN 123.A O no hydrogen 2.767 N/A SER 131.A OG THR 119.A O no hydrogen 2.739 N/A SER 131.A OG GLN 123.A O no hydrogen 3.247 N/A GLN 132.A NE2 VAL 130.A O no hydrogen 3.063 N/A TYR 135.A N VAL 66.A O no hydrogen 2.763 N/A ASN 137.A N GLU 8.A O no hydrogen 2.871 N/A VAL 139.A N ILE 38.A O no hydrogen 3.049 N/A ARG 140.A NE ASP 37.A OD1 no hydrogen 2.490 N/A ARG 140.A NE ASP 37.A OD2 no hydrogen 3.084 N/A ARG 140.A NH1 LYS 29.A O no hydrogen 3.049 N/A ARG 140.A NH2 ASP 37.A OD2 no hydrogen 2.448 N/A VAL 141.A N ILE 36.A O no hydrogen 2.828 N/A GLU 143.A N HIS 34.A O no hydrogen 3.037 N/A HIS 144.A N HIS 142.A ND1 no hydrogen 2.638 N/A PHE 145.A N HIS 142.A O no hydrogen 2.810 N/A VAL 146.A N GLU 143.A O no hydrogen 3.221 N/A VAL 147.A N GLY 92.A O no hydrogen 2.746 N/A ILE 149.A N ARG 90.A O no hydrogen 3.323 N/A ASN 152.A ND2 SER 315.A O no hydrogen 2.767 N/A ASN 152.A ND2 SER 315.A OG no hydrogen 3.007 N/A ILE 153.A N PRO 150.A O no hydrogen 3.365 N/A SER 155.A OG GLU 41.A OE2 no hydrogen 2.668 N/A LEU 157.A N PRO 154.A O no hydrogen 3.008 N/A ALA 158.A N SER 155.A O no hydrogen 2.885 N/A ALA 159.A N SER 155.A O no hydrogen 3.038 N/A LEU 161.A N ALA 158.A O no hydrogen 2.772 N/A LEU 162.A N ALA 159.A O no hydrogen 2.895 N/A CYS 163.A SG HIS 68.A NE2 no hydrogen 3.136 N/A GLY 164.A N GLU 69.A OE2 no hydrogen 3.037 N/A GLY 165.A N PRO 160.A O no hydrogen 3.231 N/A LEU 166.A N LEU 161.A O no hydrogen 3.063 N/A THR 167.A N CYS 163.A O no hydrogen 2.685 N/A THR 167.A OG1 CYS 163.A O no hydrogen 2.582 N/A VAL 168.A N GLY 164.A O no hydrogen 3.218 N/A TYR 169.A N GLY 165.A O no hydrogen 2.744 N/A TYR 169.A OH GLN 309.A OE1 no hydrogen 3.009 N/A SER 170.A N LEU 166.A O no hydrogen 2.823 N/A SER 170.A OG GLU 306.A OE1 no hydrogen 2.812 N/A LEU 172.A N VAL 168.A O no hydrogen 3.292 N/A VAL 173.A N TYR 169.A O no hydrogen 2.856 N/A ARG 174.A N SER 170.A O no hydrogen 2.774 N/A ARG 174.A NE GLU 306.A OE2 no hydrogen 3.074 N/A ARG 174.A NH1 ASN 110.A OD1 no hydrogen 2.717 N/A ARG 174.A NH2 ASN 110.A OD1 no hydrogen 2.715 N/A ASN 175.A N PRO 171.A O no hydrogen 2.886 N/A ASN 175.A ND2 PRO 171.A O no hydrogen 2.716 N/A GLY 176.A N VAL 173.A O no hydrogen 3.174 N/A CYS 177.A N LEU 172.A O no hydrogen 2.662 N/A CYS 177.A SG SER 199.A O no hydrogen 3.899 N/A CYS 177.A SG SER 199.A OG no hydrogen 3.498 N/A LYS 181.A N GLY 178.A O no hydrogen 3.206 N/A LYS 182.A N ASP 245.A OD2 no hydrogen 2.892 N/A VAL 183.A N GLU 205.A O no hydrogen 3.049 N/A GLY 184.A N LEU 246.A O no hydrogen 2.997 N/A ILE 185.A N TYR 207.A O no hydrogen 2.916 N/A VAL 186.A N VAL 248.A O no hydrogen 3.065 N/A GLY 189.A N GLY 187.A O no hydrogen 2.470 N/A SER 193.A N GLY 189.A O no hydrogen 2.717 N/A MET 194.A N GLY 190.A O no hydrogen 3.480 N/A GLY 195.A N ILE 191.A O no hydrogen 3.064 N/A THR 196.A N GLY 192.A O no hydrogen 3.023 N/A THR 196.A OG1 GLY 192.A O no hydrogen 2.655 N/A LEU 197.A N SER 193.A O no hydrogen 2.969 N/A ILE 198.A N MET 194.A O no hydrogen 2.561 N/A SER 199.A N GLY 195.A O no hydrogen 2.676 N/A SER 199.A OG THR 206.A OG1 no hydrogen 2.900 N/A LYS 200.A N THR 196.A O no hydrogen 3.237 N/A LYS 200.A NZ ASP 225.A OD1 no hydrogen 2.981 N/A LYS 200.A NZ ASP 225.A OD2 no hydrogen 3.143 N/A ALA 201.A N LEU 197.A O no hydrogen 2.800 N/A MET 202.A N ILE 198.A O no hydrogen 3.069 N/A MET 202.A N SER 199.A O no hydrogen 3.014 N/A GLY 203.A N LYS 200.A O no hydrogen 2.584 N/A GLU 205.A N LYS 181.A O no hydrogen 3.071 N/A THR 206.A N ASP 225.A OD1 no hydrogen 3.164 N/A THR 206.A OG1 SER 199.A OG no hydrogen 2.900 N/A THR 206.A OG1 ALA 204.A O no hydrogen 2.903 N/A TYR 207.A N VAL 183.A O no hydrogen 2.689 N/A TYR 207.A OH GLU 205.A OE1 no hydrogen 3.032 N/A VAL 208.A N HIS 226.A O no hydrogen 2.875 N/A ILE 209.A N ILE 185.A O no hydrogen 2.788 N/A SER 210.A N ILE 228.A O no hydrogen 2.913 N/A ARG 211.A NE ASP 256.A OD1 no hydrogen 3.564 N/A SER 213.A OG GLU 232.A OE2 no hydrogen 2.912 N/A ARG 214.A N SER 212.A OG no hydrogen 2.764 N/A LYS 215.A NZ LEU 188.A O no hydrogen 3.503 N/A ARG 216.A N SER 213.A O no hydrogen 2.717 N/A ARG 216.A NH2 SER 213.A OG no hydrogen 3.052 N/A ALA 219.A N LYS 215.A O no hydrogen 3.009 N/A MET 220.A N ARG 216.A O no hydrogen 3.033 N/A LYS 221.A N GLU 217.A O no hydrogen 2.951 N/A MET 222.A N ASP 218.A O no hydrogen 2.833 N/A GLY 223.A N MET 220.A O no hydrogen 3.071 N/A ALA 224.A N ALA 219.A O no hydrogen 3.202 N/A HIS 226.A N THR 206.A O no hydrogen 3.275 N/A TYR 227.A OH SER 212.A O no hydrogen 3.145 N/A ILE 228.A N VAL 208.A O no hydrogen 2.796 N/A THR 230.A N SER 210.A O no hydrogen 2.791 N/A THR 230.A OG1 SER 210.A O no hydrogen 3.445 N/A LEU 231.A N ARG 211.A O no hydrogen 3.229 N/A GLU 232.A N ALA 229.A O no hydrogen 3.012 N/A GLU 233.A N THR 230.A O no hydrogen 2.832 N/A GLU 238.A N ASP 235.A O no hydrogen 3.235 N/A GLU 238.A N ASP 235.A OD1 no hydrogen 2.654 N/A LYS 239.A N ASP 235.A O no hydrogen 3.235 N/A LYS 239.A NZ GLU 233.A OE2 no hydrogen 3.289 N/A TYR 240.A N TRP 236.A O no hydrogen 2.844 N/A PHE 241.A N GLU 238.A O no hydrogen 3.309 N/A ASP 242.A N LYS 264.A O no hydrogen 3.234 N/A THR 243.A N ALA 265.A O no hydrogen 2.880 N/A PHE 244.A N ALA 265.A O no hydrogen 2.923 N/A ASP 245.A N LYS 182.A O no hydrogen 2.935 N/A LEU 246.A N LYS 182.A O no hydrogen 3.488 N/A ILE 247.A N ARG 271.A O no hydrogen 2.821 N/A VAL 248.A N GLY 184.A O no hydrogen 2.926 N/A VAL 249.A N VAL 273.A O no hydrogen 2.724 N/A CYS 250.A N VAL 186.A O no hydrogen 3.054 N/A CYS 250.A SG VAL 248.A O no hydrogen 3.660 N/A SER 253.A OG GLU 282.A OE2 no hydrogen 2.573 N/A LEU 254.A N GLU 282.A OE2 no hydrogen 3.341 N/A ASN 260.A N ASP 258.A OD1 no hydrogen 2.707 N/A LYS 264.A N ILE 261.A O no hydrogen 2.990 N/A LYS 264.A NZ ASN 260.A O no hydrogen 3.377 N/A ALA 265.A N MET 262.A O no hydrogen 2.948 N/A MET 266.A N PRO 263.A O no hydrogen 2.745 N/A LYS 267.A N PHE 244.A O no hydrogen 2.678 N/A LYS 267.A NZ ASP 245.A OD1 no hydrogen 3.035 N/A GLY 269.A N ALA 293.A O no hydrogen 2.607 N/A GLY 270.A N LYS 267.A O no hydrogen 2.433 N/A ARG 271.A N ASP 245.A O no hydrogen 2.799 N/A ARG 271.A NH1 ASN 175.A OD1 no hydrogen 2.631 N/A ILE 272.A N SER 295.A O no hydrogen 3.043 N/A VAL 273.A N ILE 247.A O no hydrogen 2.839 N/A SER 274.A N SER 297.A O no hydrogen 3.026 N/A SER 274.A OG SER 276.A OG no hydrogen 2.546 N/A ILE 275.A N VAL 249.A O no hydrogen 2.795 N/A SER 276.A N SER 274.A OG no hydrogen 3.032 N/A SER 276.A OG SER 274.A OG no hydrogen 2.546 N/A GLU 282.A N GLU 279.A O no hydrogen 2.706 N/A LYS 287.A N ASN 260.A OD1 no hydrogen 2.736 N/A LEU 291.A N PRO 288.A O no hydrogen 2.955 N/A LYS 292.A N GLY 290.A O no hydrogen 2.532 N/A SER 295.A N GLY 270.A O no hydrogen 3.255 N/A SER 297.A N ILE 272.A O no hydrogen 3.076 N/A SER 299.A N SER 274.A O no hydrogen 3.202 N/A ALA 300.A N TYR 113.A OH no hydrogen 3.338 N/A SER 303.A N GLU 306.A OE1 no hydrogen 3.042 N/A LEU 307.A N SER 303.A O no hydrogen 2.898 N/A ASN 308.A N ILE 304.A O no hydrogen 2.910 N/A GLN 309.A N LYS 305.A O no hydrogen 3.027 N/A LEU 310.A N GLU 306.A O no hydrogen 2.777 N/A LEU 311.A N LEU 307.A O no hydrogen 3.158 N/A LYS 312.A N ASN 308.A O no hydrogen 2.928 N/A LYS 312.A NZ GLU 316.A OE2 no hydrogen 3.221 N/A LEU 313.A N GLN 309.A O no hydrogen 2.900 N/A VAL 314.A N LEU 310.A O no hydrogen 2.674 N/A SER 315.A N LEU 311.A O no hydrogen 2.871 N/A SER 315.A OG ASN 152.A OD1 no hydrogen 2.846 N/A GLU 316.A N LYS 312.A O no hydrogen 2.634 N/A LYS 317.A N LEU 313.A O no hydrogen 3.116 N/A ASP 318.A N SER 315.A O no hydrogen 3.497 N/A ILE 319.A N VAL 314.A O no hydrogen 2.897 N/A GLU 324.A N ARG 348.A O no hydrogen 2.857 N/A LEU 326.A N THR 350.A O no hydrogen 3.404 N/A VAL 328.A N VAL 352.A O no hydrogen 2.956 N/A VAL 333.A N GLY 329.A O no hydrogen 2.961 N/A HIS 334.A ND1 LYS 19.A O no hydrogen 2.744 N/A GLU 335.A N ALA 331.A O no hydrogen 2.856 N/A ALA 336.A N GLY 332.A O no hydrogen 2.657 N/A PHE 337.A N VAL 333.A O no hydrogen 2.532 N/A GLU 338.A N HIS 334.A O no hydrogen 2.669 N/A ARG 339.A N GLU 335.A O no hydrogen 2.767 N/A ARG 339.A NH1 ASP 344.A OD1 no hydrogen 3.297 N/A ARG 339.A NH2 GLU 324.A OE1 no hydrogen 2.454 N/A MET 340.A N ALA 336.A O no hydrogen 2.991 N/A GLU 341.A N PHE 337.A O no hydrogen 3.124 N/A GLU 341.A N GLU 338.A O no hydrogen 3.266 N/A LYS 342.A N GLU 338.A O no hydrogen 3.209 N/A LYS 342.A NZ GLU 338.A OE1 no hydrogen 3.087 N/A GLY 343.A N MET 340.A O no hydrogen 3.235 N/A ASP 344.A N ARG 339.A O no hydrogen 2.780 N/A TYR 347.A OH ASP 218.A OD1 no hydrogen 2.877 N/A ARG 348.A N TRP 322.A O no hydrogen 2.979 N/A THR 350.A OG1 HIS 156.A O no hydrogen 2.812 N/A LEU 351.A N CYS 43.A O no hydrogen 2.742 N/A VAL 352.A N LEU 326.A O no hydrogen 2.989 N/A TYR 354.A OH GLY 134.A O no hydrogen 2.676 N/A LYS 356.A N ASP 355.A OD2 no hydrogen 2.497 N/A SER 359.A OG PHE 358.A O no hydrogen 2.525 N/A