Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ujn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 200.A OE1 no hydrogen 2.726 N/A GLN 2.A N VAL 16.A O no hydrogen 2.813 N/A GLN 2.A NE2 GLU 200.A OE1 no hydrogen 2.969 N/A LEU 4.A N ILE 14.A O no hydrogen 2.853 N/A VAL 6.A N TYR 12.A O no hydrogen 2.894 N/A ARG 7.A N GLU 215.A OE1 no hydrogen 2.662 N/A GLU 8.A N GLU 215.A OE1 no hydrogen 3.407 N/A TYR 12.A N VAL 6.A O no hydrogen 3.049 N/A TYR 12.A OH SER 127.A O no hydrogen 2.562 N/A ILE 14.A N LEU 4.A O no hydrogen 2.926 N/A LEU 15.A N VAL 152.A O no hydrogen 2.791 N/A VAL 16.A N GLN 2.A O no hydrogen 2.929 N/A GLY 17.A N ALA 154.A O no hydrogen 3.157 N/A GLY 19.A N GLU 155.A OE1 no hydrogen 2.741 N/A VAL 20.A N GLU 155.A OE1 no hydrogen 3.106 N/A LYS 22.A N GLY 19.A O no hydrogen 3.424 N/A LYS 22.A NZ GLY 19.A O no hydrogen 2.638 N/A GLU 23.A N VAL 20.A O no hydrogen 2.871 N/A VAL 24.A N LEU 21.A O no hydrogen 3.186 N/A ALA 32.A N THR 87.A O no hydrogen 3.116 N/A LEU 33.A N HIS 54.A O no hydrogen 2.729 N/A LEU 34.A N LEU 89.A O no hydrogen 2.828 N/A PHE 35.A N LEU 56.A O no hydrogen 2.966 N/A ASP 36.A N VAL 91.A O no hydrogen 2.977 N/A ARG 37.A N LEU 58.A O no hydrogen 2.849 N/A ARG 38.A N ASP 36.A OD1 no hydrogen 2.748 N/A ARG 38.A NH2 THR 161.A O no hydrogen 3.451 N/A VAL 39.A N ASP 36.A O no hydrogen 2.843 N/A GLU 40.A N ARG 37.A O no hydrogen 3.280 N/A ALA 43.A N VAL 39.A O no hydrogen 2.929 N/A GLN 44.A N GLU 40.A O no hydrogen 2.747 N/A GLN 44.A NE2 GLU 40.A OE1 no hydrogen 3.102 N/A GLU 45.A N GLY 41.A O no hydrogen 3.176 N/A VAL 46.A N PHE 42.A O no hydrogen 2.839 N/A ALA 47.A N ALA 43.A O no hydrogen 2.946 N/A LYS 48.A N GLN 44.A O no hydrogen 2.921 N/A ALA 49.A N GLU 45.A O no hydrogen 2.960 N/A LEU 50.A N VAL 46.A O no hydrogen 3.127 N/A VAL 52.A N ALA 47.A O no hydrogen 2.907 N/A LEU 56.A N LEU 33.A O no hydrogen 2.880 N/A LEU 58.A N PHE 35.A O no hydrogen 2.750 N/A GLY 61.A N THR 95.A OG1 no hydrogen 3.299 N/A ALA 64.A N GLY 61.A O no hydrogen 3.149 N/A LYS 65.A N GLU 62.A O no hydrogen 2.977 N/A LYS 65.A NZ ASP 98.A OD1 no hydrogen 2.729 N/A LYS 65.A NZ ASN 141.A OD1 no hydrogen 2.690 N/A SER 66.A OG ALA 63.A O no hydrogen 3.330 N/A VAL 69.A N SER 66.A OG no hydrogen 3.231 N/A TYR 70.A N SER 66.A O no hydrogen 3.010 N/A TYR 70.A OH THR 106.A OG1 no hydrogen 2.731 N/A GLY 71.A N LEU 67.A O no hydrogen 2.934 N/A LYS 72.A N GLU 68.A O no hydrogen 3.027 N/A VAL 73.A N VAL 69.A O no hydrogen 2.901 N/A LEU 74.A N TYR 70.A O no hydrogen 3.049 N/A SER 75.A N GLY 71.A O no hydrogen 3.009 N/A SER 75.A OG GLY 71.A O no hydrogen 3.419 N/A TRP 76.A N LYS 72.A O no hydrogen 2.980 N/A LEU 77.A N VAL 73.A O no hydrogen 3.012 N/A ALA 78.A N LEU 74.A O no hydrogen 2.948 N/A GLU 79.A N SER 75.A O no hydrogen 2.799 N/A LYS 80.A N TRP 76.A O no hydrogen 3.359 N/A LYS 80.A N LEU 77.A O no hydrogen 3.175 N/A GLY 81.A N ALA 78.A O no hydrogen 2.784 N/A LEU 82.A N LEU 77.A O no hydrogen 3.375 N/A ALA 86.A N PRO 83.A O no hydrogen 3.023 N/A THR 87.A N PRO 30.A O no hydrogen 2.995 N/A LEU 88.A N ALA 112.A O no hydrogen 2.917 N/A LEU 89.A N ALA 32.A O no hydrogen 2.827 N/A VAL 90.A N LEU 114.A O no hydrogen 2.833 N/A VAL 91.A N LEU 34.A O no hydrogen 2.894 N/A GLY 92.A N PHE 116.A O no hydrogen 3.278 N/A THR 97.A N GLY 93.A O no hydrogen 3.129 N/A THR 97.A OG1 GLY 93.A O no hydrogen 3.386 N/A THR 97.A OG1 GLY 94.A O no hydrogen 3.114 N/A ASP 98.A N GLY 94.A O no hydrogen 2.886 N/A LEU 99.A N THR 95.A O no hydrogen 3.002 N/A GLY 100.A N LEU 96.A O no hydrogen 2.722 N/A GLY 101.A N THR 97.A O no hydrogen 2.745 N/A PHE 102.A N ASP 98.A O no hydrogen 3.234 N/A VAL 103.A N LEU 99.A O no hydrogen 2.932 N/A ALA 104.A N GLY 100.A O no hydrogen 2.970 N/A ALA 105.A N GLY 101.A O no hydrogen 2.896 N/A THR 106.A N PHE 102.A O no hydrogen 3.127 N/A THR 106.A N VAL 103.A O no hydrogen 3.205 N/A THR 106.A OG1 TYR 70.A OH no hydrogen 2.731 N/A THR 106.A OG1 PHE 102.A O no hydrogen 2.906 N/A THR 106.A OG1 VAL 103.A O no hydrogen 3.544 N/A TYR 107.A N VAL 103.A O no hydrogen 2.817 N/A TYR 107.A OH LEU 82.A O no hydrogen 2.691 N/A ARG 109.A N THR 106.A O no hydrogen 2.971 N/A GLY 110.A N TYR 107.A O no hydrogen 2.771 N/A VAL 111.A N ALA 104.A O no hydrogen 2.766 N/A TYR 113.A OH HIS 147.A O no hydrogen 2.716 N/A LEU 114.A N LEU 88.A O no hydrogen 2.897 N/A ALA 115.A N GLY 151.A O no hydrogen 3.019 N/A PHE 116.A N VAL 90.A O no hydrogen 2.786 N/A THR 118.A N GLY 92.A O no hydrogen 2.966 N/A THR 120.A OG1 PHE 167.A O no hydrogen 2.692 N/A ALA 122.A N THR 119.A OG1 no hydrogen 2.967 N/A ILE 123.A N THR 119.A O no hydrogen 3.128 N/A VAL 124.A N THR 120.A O no hydrogen 2.821 N/A ASP 125.A N LEU 121.A O no hydrogen 2.807 N/A SER 127.A OG ILE 123.A O no hydrogen 2.639 N/A THR 132.A N ALA 145.A O no hydrogen 3.100 N/A THR 132.A OG1 ALA 145.A O no hydrogen 2.669 N/A GLY 133.A N ASP 98.A O no hydrogen 3.013 N/A ILE 134.A N VAL 143.A O no hydrogen 2.820 N/A ASN 135.A N LYS 65.A O no hydrogen 2.847 N/A ASN 135.A ND2 GLU 62.A OE1 no hydrogen 2.985 N/A LEU 136.A N GLY 139.A O no hydrogen 2.936 N/A GLY 139.A N LEU 136.A O no hydrogen 2.882 N/A LYS 140.A NZ GLU 62.A OE1 no hydrogen 3.345 N/A ASN 141.A N ASN 135.A OD1 no hydrogen 2.762 N/A ALA 145.A N THR 132.A O no hydrogen 3.189 N/A HIS 147.A N GLY 130.A O no hydrogen 2.821 N/A HIS 147.A NE2 VAL 111.A O no hydrogen 2.941 N/A GLN 150.A N TYR 113.A O no hydrogen 2.849 N/A VAL 152.A N PRO 13.A O no hydrogen 2.982 N/A TYR 153.A N ALA 115.A O no hydrogen 2.809 N/A ALA 154.A N LEU 15.A O no hydrogen 2.806 N/A LEU 156.A N GLY 17.A O no hydrogen 3.056 N/A ARG 157.A N GLU 155.A OE2 no hydrogen 3.080 N/A ARG 157.A NH2 GLU 45.A OE2 no hydrogen 2.728 N/A ALA 158.A N GLU 155.A O no hydrogen 2.935 N/A LEU 159.A N LEU 156.A O no hydrogen 2.914 N/A LEU 162.A N LEU 159.A O no hydrogen 3.161 N/A PHE 167.A N PRO 163.A O no hydrogen 2.888 N/A LYS 168.A N LEU 164.A O no hydrogen 2.867 N/A LYS 168.A NZ TRP 280.A O no hydrogen 2.835 N/A GLU 169.A N PRO 165.A O no hydrogen 3.003 N/A VAL 172.A N LYS 168.A O no hydrogen 3.183 N/A VAL 172.A N GLU 169.A O no hydrogen 3.150 N/A ALA 174.A N GLY 170.A O no hydrogen 3.306 N/A PHE 175.A N LEU 171.A O no hydrogen 2.969 N/A LYS 176.A N VAL 172.A O no hydrogen 2.901 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 3.147 N/A LYS 176.A NZ LEU 227.A O no hydrogen 2.878 N/A HIS 177.A N GLU 173.A O no hydrogen 3.078 N/A HIS 177.A ND1 ALA 206.A O no hydrogen 2.975 N/A GLY 178.A N ALA 174.A O no hydrogen 2.976 N/A LEU 179.A N PHE 175.A O no hydrogen 3.117 N/A ILE 180.A N LYS 176.A O no hydrogen 2.983 N/A ALA 181.A N HIS 177.A O no hydrogen 2.809 N/A GLY 182.A N GLY 178.A O no hydrogen 2.749 N/A ASP 183.A N GLY 178.A O no hydrogen 2.966 N/A ALA 185.A N ASP 183.A OD1 no hydrogen 2.962 N/A LEU 186.A N ASP 183.A O no hydrogen 3.095 N/A LEU 187.A N GLU 184.A O no hydrogen 3.072 N/A LYS 188.A N ALA 185.A O no hydrogen 3.284 N/A LEU 192.A N VAL 189.A O no hydrogen 2.850 N/A THR 193.A N SER 196.A OG no hydrogen 2.711 N/A THR 193.A OG1 GLN 195.A OE1 no hydrogen 3.516 N/A GLN 195.A N THR 193.A OG1 no hydrogen 3.146 N/A SER 196.A N THR 193.A O no hydrogen 2.886 N/A SER 196.A N THR 193.A OG1 no hydrogen 3.228 N/A SER 196.A OG ASP 191.A O no hydrogen 3.245 N/A SER 196.A OG THR 193.A O no hydrogen 3.367 N/A ARG 198.A NE ASP 191.A OD2 no hydrogen 2.663 N/A ARG 198.A NH2 LYS 188.A O no hydrogen 2.808 N/A ARG 198.A NH2 ASP 191.A OD1 no hydrogen 2.825 N/A ARG 198.A NH2 ASP 191.A OD2 no hydrogen 3.425 N/A LEU 199.A N SER 196.A O no hydrogen 2.965 N/A PHE 202.A N ARG 198.A O no hydrogen 3.147 N/A LEU 203.A N LEU 199.A O no hydrogen 2.837 N/A ALA 204.A N GLU 200.A O no hydrogen 3.004 N/A ARG 205.A N ALA 201.A O no hydrogen 2.973 N/A ARG 205.A NH1 ASP 183.A OD2 no hydrogen 2.739 N/A ALA 206.A N PHE 202.A O no hydrogen 2.925 N/A VAL 207.A N LEU 203.A O no hydrogen 2.951 N/A ALA 208.A N ALA 204.A O no hydrogen 3.017 N/A VAL 209.A N ARG 205.A O no hydrogen 3.275 N/A LYS 210.A NZ ASP 125.A O no hydrogen 2.737 N/A LYS 210.A NZ ASP 125.A OD1 no hydrogen 2.980 N/A LYS 210.A NZ VAL 128.A O no hydrogen 2.985 N/A VAL 211.A N VAL 207.A O no hydrogen 3.030 N/A ARG 212.A N ALA 208.A O no hydrogen 3.148 N/A VAL 213.A N VAL 209.A O no hydrogen 3.161 N/A THR 214.A N LYS 210.A O no hydrogen 3.053 N/A THR 214.A OG1 LYS 210.A O no hydrogen 2.737 N/A GLU 215.A N VAL 211.A O no hydrogen 3.083 N/A GLU 216.A N ARG 212.A O no hydrogen 3.072 N/A ASP 217.A N VAL 213.A O no hydrogen 3.301 N/A LEU 219.A N ASP 217.A OD2 no hydrogen 3.224 N/A GLU 220.A N ASP 217.A O no hydrogen 3.473 N/A LYS 221.A N ASP 217.A OD2 no hydrogen 2.922 N/A GLY 222.A N ASP 217.A OD1 no hydrogen 2.473 N/A ARG 224.A N ASP 217.A OD1 no hydrogen 3.024 N/A ARG 225.A N GLY 222.A O no hydrogen 3.390 N/A LEU 226.A N LYS 223.A O no hydrogen 2.763 N/A LEU 227.A N ARG 224.A O no hydrogen 3.211 N/A ASN 228.A N ARG 225.A O no hydrogen 3.192 N/A ASN 228.A ND2 ARG 225.A O no hydrogen 3.409 N/A LEU 229.A N LEU 226.A O no hydrogen 3.011 N/A HIS 231.A N ASN 228.A O no hydrogen 2.959 N/A HIS 231.A ND1 LEU 229.A O no hydrogen 3.024 N/A GLY 234.A N GLY 230.A O no hydrogen 3.239 N/A HIS 235.A N HIS 231.A O no hydrogen 2.834 N/A ALA 236.A N THR 232.A O no hydrogen 3.445 N/A LEU 237.A N LEU 233.A O no hydrogen 2.910 N/A GLU 238.A N GLY 234.A O no hydrogen 2.972 N/A ALA 239.A N HIS 235.A O no hydrogen 3.005 N/A GLN 240.A N ALA 236.A O no hydrogen 2.989 N/A GLN 240.A NE2 PRO 288.A O no hydrogen 3.319 N/A THR 241.A N LEU 237.A O no hydrogen 3.008 N/A THR 241.A OG1 LEU 237.A O no hydrogen 3.058 N/A THR 241.A OG1 GLU 238.A O no hydrogen 3.092 N/A ARG 242.A N ALA 239.A O no hydrogen 3.087 N/A HIS 243.A N GLU 238.A O no hydrogen 2.666 N/A ALA 244.A N THR 241.A O no hydrogen 3.037 N/A LEU 245.A N THR 241.A OG1 no hydrogen 3.239 N/A HIS 247.A ND1 GLU 238.A OE1 no hydrogen 3.178 N/A GLY 248.A N GLU 169.A OE2 no hydrogen 3.012 N/A ALA 250.A N PRO 246.A O no hydrogen 3.028 N/A VAL 251.A N HIS 247.A O no hydrogen 2.934 N/A ALA 252.A N GLY 248.A O no hydrogen 3.086 N/A TYR 253.A N MET 249.A O no hydrogen 3.098 N/A TYR 253.A OH PRO 284.A O no hydrogen 2.723 N/A GLY 254.A N ALA 250.A O no hydrogen 2.904 N/A LEU 255.A N VAL 251.A O no hydrogen 2.780 N/A LEU 256.A N ALA 252.A O no hydrogen 3.268 N/A TYR 257.A N TYR 253.A O no hydrogen 3.288 N/A TYR 257.A OH LEU 321.A O no hydrogen 2.855 N/A ALA 258.A N GLY 254.A O no hydrogen 2.887 N/A ALA 259.A N LEU 255.A O no hydrogen 2.920 N/A LEU 260.A N LEU 256.A O no hydrogen 3.026 N/A LEU 261.A N TYR 257.A O no hydrogen 2.953 N/A GLY 262.A N ALA 258.A O no hydrogen 2.912 N/A ARG 263.A N ALA 259.A O no hydrogen 2.987 N/A ALA 264.A N LEU 260.A O no hydrogen 3.073 N/A LEU 265.A N LEU 261.A O no hydrogen 3.130 N/A LEU 265.A N GLY 262.A O no hydrogen 3.193 N/A GLY 266.A N ARG 263.A O no hydrogen 3.046 N/A GLY 267.A N GLY 262.A O no hydrogen 2.757 N/A GLU 268.A N LEU 306.A O no hydrogen 2.693 N/A LEU 271.A N ASP 269.A OD1 no hydrogen 3.322 N/A ARG 275.A N LEU 271.A O no hydrogen 2.726 N/A ARG 275.A NE GLU 331.A OE1 no hydrogen 3.219 N/A ARG 275.A NH2 GLU 331.A OE2 no hydrogen 3.143 N/A ARG 276.A N PRO 272.A O no hydrogen 2.989 N/A LEU 277.A N PRO 273.A O no hydrogen 3.081 N/A LEU 278.A N VAL 274.A O no hydrogen 3.001 N/A LEU 279.A N ARG 275.A O no hydrogen 3.020 N/A TRP 280.A N ARG 276.A O no hydrogen 3.022 N/A LEU 281.A N LEU 277.A O no hydrogen 2.804 N/A SER 282.A N LEU 278.A O no hydrogen 2.968 N/A SER 282.A OG LEU 279.A O no hydrogen 3.375 N/A LEU 286.A N LEU 337.A O no hydrogen 2.975 N/A ASP 293.A N ALA 290.A O no hydrogen 3.029 N/A LEU 294.A N PHE 291.A O no hydrogen 3.072 N/A LEU 295.A N PHE 291.A O no hydrogen 3.338 N/A TYR 297.A N LEU 294.A O no hydrogen 2.767 N/A LEU 298.A N LEU 295.A O no hydrogen 2.784 N/A TRP 302.A N ARG 314.A O no hydrogen 2.938 N/A VAL 304.A N VAL 312.A O no hydrogen 2.706 N/A LEU 306.A N ARG 310.A O no hydrogen 2.918 N/A ALA 307.A N ARG 310.A O no hydrogen 3.060 N/A GLY 309.A N LEU 179.A O no hydrogen 2.829 N/A ARG 310.A N ALA 307.A O no hydrogen 2.667 N/A VAL 312.A N VAL 304.A O no hydrogen 2.853 N/A ARG 314.A N TRP 302.A O no hydrogen 3.182 N/A ARG 314.A NE PRO 315.A O no hydrogen 2.989 N/A ARG 314.A NH2 PRO 315.A O no hydrogen 3.180 N/A LEU 320.A N PRO 317.A O no hydrogen 2.753 N/A LEU 321.A N PRO 317.A O no hydrogen 3.226 N/A ARG 322.A N GLU 318.A O no hydrogen 2.762 N/A ARG 322.A NH1 GLU 292.A OE1 no hydrogen 3.062 N/A ARG 322.A NH2 GLU 318.A OE1 no hydrogen 3.272 N/A GLU 323.A N GLY 319.A O no hydrogen 3.075 N/A ALA 324.A N LEU 320.A O no hydrogen 2.875 N/A PHE 325.A N LEU 321.A O no hydrogen 2.844 N/A ALA 326.A N ARG 322.A O no hydrogen 3.091 N/A ALA 327.A N GLU 323.A O no hydrogen 3.083 N/A TRP 328.A N ALA 324.A O no hydrogen 2.706 N/A TRP 328.A NE1 TYR 253.A O no hydrogen 3.021 N/A ARG 329.A N PHE 325.A O no hydrogen 2.827 N/A GLU 330.A N ALA 326.A O no hydrogen 3.124 N/A GLU 331.A N ALA 327.A O no hydrogen 2.820 N/A LEU 332.A N TRP 328.A O no hydrogen 3.027 N/A LYS 333.A N ARG 329.A O no hydrogen 2.764 N/A GLY 334.A N GLU 330.A O no hydrogen 2.883 N/A LEU 335.A N LEU 332.A O no hydrogen 2.848 N/A GLY 336.A N LYS 333.A O no hydrogen 2.950 N/A LEU 337.A N LEU 332.A O no hydrogen 3.046 N/A