Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q1b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N ILE 23.A O no hydrogen 3.534 N/A GLN 2.A N PHE 58.A O no hydrogen 2.987 N/A LEU 3.A N LEU 21.A O no hydrogen 2.762 N/A GLN 4.A N ASP 56.A O no hydrogen 3.197 N/A GLN 4.A NE2 GLN 2.A OE1 no hydrogen 3.337 N/A VAL 6.A N ILE 19.A O no hydrogen 3.179 N/A THR 7.A N SER 54.A O no hydrogen 3.247 N/A THR 7.A OG1 ASN 5.A O no hydrogen 3.087 N/A LYS 8.A N SER 16.A O no hydrogen 2.922 N/A LYS 8.A NZ THR 51.A O no hydrogen 2.722 N/A TRP 10.A N VAL 13.A O no hydrogen 2.948 N/A VAL 15.A N LYS 8.A O no hydrogen 3.061 N/A LYS 17.A N GLY 207.A O no hydrogen 3.428 N/A LYS 17.A NZ ALA 206.A O no hydrogen 2.996 N/A ASP 18.A N THR 7.A OG1 no hydrogen 3.309 N/A ILE 19.A N VAL 6.A O no hydrogen 3.020 N/A ASN 20.A ND2 ASN 5.A OD1 no hydrogen 3.410 N/A ILE 23.A N VAL 1.A O no hydrogen 2.996 N/A HIS 24.A N GLU 27.A OE2 no hydrogen 3.065 N/A GLY 26.A N THR 183.A OG1 no hydrogen 2.864 N/A GLU 27.A N HIS 24.A O no hydrogen 3.004 N/A PHE 28.A N ASP 199.A OD2 no hydrogen 2.883 N/A VAL 29.A N MET 184.A O no hydrogen 2.950 N/A VAL 30.A N LYS 200.A O no hydrogen 2.993 N/A PHE 31.A N TYR 186.A O no hydrogen 2.803 N/A VAL 32.A N VAL 202.A O no hydrogen 3.009 N/A CYS 37.A N PRO 34.A O no hydrogen 2.611 N/A CYS 37.A SG PRO 34.A O no hydrogen 3.192 N/A LYS 39.A NZ GLY 33.A O no hydrogen 3.139 N/A LYS 39.A NZ HIS 189.A NE2 no hydrogen 2.480 N/A SER 40.A OG ASP 155.A OD1 no hydrogen 2.910 N/A LEU 42.A N GLY 38.A O no hydrogen 3.401 N/A ARG 44.A N SER 40.A O no hydrogen 2.960 N/A ARG 44.A NH1 GLU 50.A OE2 no hydrogen 3.187 N/A MET 45.A N THR 41.A O no hydrogen 2.446 N/A ILE 46.A N LEU 42.A O no hydrogen 3.265 N/A ILE 46.A N LEU 43.A O no hydrogen 3.208 N/A ALA 47.A N ARG 44.A O no hydrogen 3.110 N/A GLY 48.A N ARG 44.A O no hydrogen 3.140 N/A THR 53.A OG1 THR 7.A O no hydrogen 3.231 N/A ASP 56.A N GLN 4.A O no hydrogen 2.873 N/A PHE 58.A N GLN 2.A O no hydrogen 2.997 N/A ILE 59.A N LYS 62.A O no hydrogen 3.407 N/A ARG 63.A NE ASP 56.A OD1 no hydrogen 3.299 N/A MET 64.A N LEU 57.A O no hydrogen 2.761 N/A ASN 65.A ND2 GLY 55.A O no hydrogen 3.401 N/A THR 67.A N MET 64.A O no hydrogen 2.923 N/A GLU 71.A N PRO 68.A O no hydrogen 2.700 N/A ARG 72.A N PRO 69.A O no hydrogen 3.450 N/A ARG 72.A NE THR 67.A O no hydrogen 2.681 N/A ARG 72.A NH1 MET 45.A O no hydrogen 3.547 N/A ARG 72.A NH1 ILE 46.A O no hydrogen 3.115 N/A GLY 75.A N VAL 151.A O no hydrogen 2.760 N/A VAL 77.A N LEU 153.A O no hydrogen 3.209 N/A TYR 81.A N PHE 78.A O no hydrogen 3.404 N/A TYR 84.A N ASN 92.A OD1 no hydrogen 3.033 N/A LEU 87.A N TYR 84.A O no hydrogen 2.976 N/A SER 88.A N GLU 91.A OE1 no hydrogen 3.330 N/A SER 88.A OG LEU 124.A O no hydrogen 3.550 N/A VAL 89.A N ARG 126.A O no hydrogen 2.755 N/A ALA 90.A N LEU 124.A O no hydrogen 2.838 N/A GLU 91.A N SER 88.A OG no hydrogen 2.959 N/A ASN 92.A N SER 88.A O no hydrogen 2.782 N/A ASN 92.A ND2 LEU 87.A O no hydrogen 2.916 N/A ASN 92.A ND2 SER 88.A O no hydrogen 2.462 N/A SER 94.A OG ALA 90.A O no hydrogen 2.621 N/A SER 94.A OG GLU 91.A O no hydrogen 2.680 N/A SER 94.A OG ASN 92.A O no hydrogen 3.246 N/A LYS 98.A N PHE 95.A O no hydrogen 3.157 N/A LEU 99.A N PHE 95.A O no hydrogen 3.387 N/A ALA 100.A N LYS 98.A O no hydrogen 2.493 N/A LYS 103.A NZ GLY 101.A O no hydrogen 3.436 N/A ILE 107.A N LYS 103.A O no hydrogen 3.305 N/A GLN 109.A N ILE 107.A O no hydrogen 2.498 N/A ARG 110.A N VAL 106.A O no hydrogen 3.095 N/A ARG 110.A NH1 VAL 146.A O no hydrogen 3.087 N/A VAL 111.A N ILE 107.A O no hydrogen 3.013 N/A ASN 112.A ND2 ASN 108.A OD1 no hydrogen 3.685 N/A GLN 113.A N GLN 109.A O no hydrogen 3.072 N/A VAL 114.A N ARG 110.A O no hydrogen 2.800 N/A ALA 115.A N VAL 111.A O no hydrogen 2.671 N/A ALA 115.A N ASN 112.A O no hydrogen 3.165 N/A GLU 116.A N ASN 112.A O no hydrogen 3.038 N/A VAL 117.A N GLN 113.A O no hydrogen 3.413 N/A LEU 118.A N ALA 115.A O no hydrogen 2.811 N/A GLN 119.A N GLU 116.A O no hydrogen 2.637 N/A LEU 120.A N ALA 115.A O no hydrogen 3.094 N/A HIS 122.A N HIS 122.A ND1 no hydrogen 3.009 N/A LEU 123.A N LEU 120.A O no hydrogen 2.943 N/A GLN 135.A N SER 132.A O no hydrogen 3.154 N/A GLN 135.A N SER 132.A OG no hydrogen 2.794 N/A ARG 136.A N SER 132.A O no hydrogen 2.997 N/A GLN 137.A NE2 PHE 78.A O no hydrogen 2.882 N/A GLN 137.A NE2 PRO 157.A O no hydrogen 3.400 N/A ARG 138.A NE LEU 118.A O no hydrogen 3.216 N/A ARG 138.A NH2 LEU 118.A O no hydrogen 2.834 N/A VAL 139.A N GLN 135.A O no hydrogen 2.822 N/A ALA 140.A N ARG 136.A O no hydrogen 2.888 N/A ILE 141.A N GLN 137.A O no hydrogen 3.066 N/A GLY 142.A N ARG 138.A O no hydrogen 2.976 N/A ARG 143.A N VAL 139.A O no hydrogen 3.253 N/A ARG 143.A NH2 ASN 92.A OD1 no hydrogen 3.518 N/A THR 144.A OG1 MET 76.A O no hydrogen 3.480 N/A THR 144.A OG1 ALA 140.A O no hydrogen 3.526 N/A LEU 145.A N ILE 141.A O no hydrogen 3.110 N/A VAL 146.A N GLY 142.A O no hydrogen 2.781 N/A ALA 147.A N ARG 143.A O no hydrogen 3.004 N/A VAL 151.A N GLY 73.A O no hydrogen 3.112 N/A PHE 152.A N THR 183.A O no hydrogen 3.105 N/A LEU 153.A N GLY 75.A O no hydrogen 2.785 N/A LEU 154.A N ILE 185.A O no hydrogen 2.749 N/A ASP 155.A N VAL 77.A O no hydrogen 3.133 N/A GLU 156.A N VAL 187.A O no hydrogen 2.873 N/A SER 159.A N GLU 156.A O no hydrogen 3.323 N/A ARG 166.A N ASP 162.A O no hydrogen 3.443 N/A ARG 166.A NE GLU 193.A OE2 no hydrogen 2.600 N/A ARG 166.A NH2 GLU 156.A OE2 no hydrogen 2.725 N/A ARG 166.A NH2 GLU 193.A OE1 no hydrogen 3.049 N/A MET 169.A N LEU 165.A O no hydrogen 3.025 N/A ARG 170.A N ARG 166.A O no hydrogen 2.948 N/A ARG 170.A NE GLU 193.A OE2 no hydrogen 3.359 N/A ARG 170.A NH2 GLU 193.A OE2 no hydrogen 3.459 N/A ILE 171.A N VAL 167.A O no hydrogen 3.159 N/A ILE 171.A N GLN 168.A O no hydrogen 3.056 N/A GLU 172.A N GLN 168.A O no hydrogen 2.840 N/A ILE 173.A N MET 169.A O no hydrogen 2.918 N/A ARG 175.A N ILE 171.A O no hydrogen 2.971 N/A LEU 176.A N GLU 172.A O no hydrogen 2.925 N/A HIS 177.A N ILE 173.A O no hydrogen 2.743 N/A LYS 178.A N SER 174.A O no hydrogen 2.772 N/A LYS 178.A N ARG 175.A O no hydrogen 3.008 N/A ARG 179.A N ARG 175.A O no hydrogen 2.995 N/A ARG 179.A NH2 GLU 148.A OE1 no hydrogen 3.557 N/A LEU 180.A N LEU 176.A O no hydrogen 2.968 N/A ARG 182.A N LEU 180.A O no hydrogen 2.362 N/A ARG 182.A NE GLU 148.A O no hydrogen 3.101 N/A ARG 182.A NE PRO 149.A O no hydrogen 3.329 N/A ARG 182.A NH2 GLU 148.A O no hydrogen 3.162 N/A THR 183.A OG1 HIS 24.A O no hydrogen 3.423 N/A MET 184.A N GLU 27.A O no hydrogen 3.238 N/A ILE 185.A N PHE 152.A O no hydrogen 2.863 N/A TYR 186.A N VAL 29.A O no hydrogen 2.949 N/A TYR 186.A OH GLU 193.A OE1 no hydrogen 2.769 N/A VAL 187.A N LEU 154.A O no hydrogen 2.853 N/A THR 188.A N PHE 31.A O no hydrogen 3.406 N/A GLN 191.A NE2 PHE 230.A O no hydrogen 2.924 N/A VAL 192.A N ASP 190.A OD1 no hydrogen 3.172 N/A GLU 193.A N ASP 190.A OD1 no hydrogen 3.248 N/A ALA 194.A N ASP 190.A O no hydrogen 3.231 N/A MET 195.A N GLN 191.A O no hydrogen 3.127 N/A THR 196.A N VAL 192.A O no hydrogen 2.736 N/A THR 196.A N GLU 193.A O no hydrogen 2.993 N/A THR 196.A OG1 VAL 192.A O no hydrogen 3.207 N/A LEU 197.A N GLU 193.A O no hydrogen 2.784 N/A ALA 198.A N ALA 194.A O no hydrogen 2.921 N/A ASP 199.A N PHE 28.A O no hydrogen 3.003 N/A LYS 200.A NZ GLU 27.A OE1 no hydrogen 3.561 N/A LYS 200.A NZ GLU 27.A OE2 no hydrogen 2.727 N/A ILE 201.A N GLY 213.A O no hydrogen 2.847 N/A VAL 202.A N VAL 30.A O no hydrogen 2.814 N/A VAL 203.A N GLN 211.A O no hydrogen 2.827 N/A LEU 204.A N VAL 32.A O no hydrogen 2.705 N/A ASP 205.A N ARG 208.A O no hydrogen 2.921 N/A ARG 208.A N ASP 205.A O no hydrogen 2.883 N/A ALA 210.A N VAL 203.A O no hydrogen 2.843 N/A GLN 211.A N VAL 203.A O no hydrogen 3.290 N/A GLY 213.A N ILE 201.A O no hydrogen 3.168 N/A LYS 214.A N GLU 217.A OE1 no hydrogen 2.292 N/A LYS 214.A NZ ASP 199.A O no hydrogen 3.329 N/A GLU 217.A N LYS 214.A O no hydrogen 2.831 N/A LEU 218.A N LYS 214.A O no hydrogen 3.184 N/A LEU 218.A N PRO 215.A O no hydrogen 2.942 N/A TYR 219.A N PRO 215.A O no hydrogen 3.140 N/A TYR 219.A OH GLU 285.A OE1 no hydrogen 2.288 N/A HIS 220.A N LEU 216.A O no hydrogen 3.066 N/A TYR 221.A N GLU 217.A O no hydrogen 2.845 N/A TYR 221.A OH HIS 363.A O no hydrogen 2.863 N/A ALA 223.A N GLN 211.A OE1 no hydrogen 2.627 N/A ARG 225.A N GLY 356.A O no hydrogen 2.842 N/A VAL 227.A N ASP 224.A OD1 no hydrogen 2.848 N/A ALA 228.A N ASP 224.A O no hydrogen 3.022 N/A GLY 229.A N ARG 225.A O no hydrogen 2.825 N/A PHE 230.A N VAL 227.A O no hydrogen 2.999 N/A ILE 231.A N VAL 227.A O no hydrogen 2.946 N/A GLY 232.A N GLN 191.A OE1 no hydrogen 2.755 N/A LYS 235.A NZ GLY 229.A O no hydrogen 2.932 N/A ASN 237.A N ILE 282.A O no hydrogen 2.995 N/A LEU 239.A N LEU 280.A O no hydrogen 2.835 N/A VAL 241.A N MET 278.A O no hydrogen 2.918 N/A VAL 243.A N ALA 276.A O no hydrogen 3.116 N/A THR 244.A N GLN 252.A O no hydrogen 2.683 N/A THR 244.A OG1 GLN 252.A O no hydrogen 3.538 N/A GLN 250.A N ALA 247.A O no hydrogen 3.290 N/A GLN 252.A N ALA 245.A O no hydrogen 2.571 N/A VAL 253.A N VAL 263.A O no hydrogen 3.074 N/A GLU 254.A N LYS 242.A O no hydrogen 2.792 N/A LEU 255.A N GLN 261.A O no hydrogen 2.907 N/A ARG 260.A NH1 GLU 254.A OE1 no hydrogen 3.207 N/A VAL 263.A N VAL 253.A O no hydrogen 2.932 N/A LEU 265.A N VAL 251.A O no hydrogen 3.197 N/A VAL 267.A N LEU 265.A O no hydrogen 2.983 N/A GLU 268.A N ARG 360.A O no hydrogen 2.738 N/A SER 269.A OG ALA 247.A O no hydrogen 3.268 N/A GLY 275.A N VAL 243.A O no hydrogen 2.809 N/A ALA 276.A N GLN 273.A O no hydrogen 3.037 N/A MET 278.A N VAL 241.A O no hydrogen 2.784 N/A SER 279.A N PHE 352.A O no hydrogen 2.865 N/A LEU 280.A N LEU 239.A O no hydrogen 3.283 N/A GLY 281.A N HIS 350.A O no hydrogen 2.936 N/A ILE 282.A N ASN 237.A O no hydrogen 2.986 N/A ARG 283.A NH1 ILE 231.A O no hydrogen 3.062 N/A ARG 283.A NH2 TYR 219.A O no hydrogen 3.302 N/A ARG 283.A NH2 ILE 231.A O no hydrogen 3.165 N/A HIS 286.A N ARG 283.A O no hydrogen 2.803 N/A LEU 287.A N PRO 284.A O no hydrogen 3.375 N/A LEU 288.A N GLY 343.A O no hydrogen 2.875 N/A LEU 297.A N ILE 342.A O no hydrogen 2.999 N/A GLY 299.A N PHE 340.A O no hydrogen 3.282 N/A GLU 300.A N GLN 316.A O no hydrogen 2.923 N/A VAL 301.A N ALA 338.A O no hydrogen 3.046 N/A GLN 302.A N HIS 314.A O no hydrogen 2.845 N/A GLN 302.A NE2 GLU 300.A O no hydrogen 2.638 N/A GLU 305.A N GLN 312.A O no hydrogen 3.144 N/A GLN 306.A NE2 VAL 332.A O no hydrogen 3.216 N/A LEU 307.A N GLU 310.A O no hydrogen 3.238 N/A THR 311.A N GLN 328.A O no hydrogen 2.698 N/A THR 311.A OG1 GLN 306.A OE1 no hydrogen 2.815 N/A THR 311.A OG1 ASP 330.A O no hydrogen 2.937 N/A GLN 312.A N GLU 305.A O no hydrogen 3.351 N/A ILE 313.A N TYR 326.A O no hydrogen 2.823 N/A HIS 314.A N VAL 303.A O no hydrogen 2.969 N/A ILE 315.A N LEU 324.A O no hydrogen 2.830 N/A GLN 316.A N GLU 300.A O no hydrogen 2.786 N/A SER 319.A OG PRO 256.A O no hydrogen 2.670 N/A SER 319.A OG PRO 318.A O no hydrogen 2.081 N/A LEU 324.A N ILE 315.A O no hydrogen 2.633 N/A TYR 326.A N ILE 313.A O no hydrogen 2.929 N/A ARG 327.A NE GLU 310.A OE1 no hydrogen 2.730 N/A ARG 327.A NE GLU 310.A OE2 no hydrogen 3.256 N/A ARG 327.A NH2 GLU 310.A OE1 no hydrogen 3.437 N/A ARG 327.A NH2 GLU 310.A OE2 no hydrogen 2.608 N/A GLN 328.A N THR 311.A O no hydrogen 3.061 N/A GLN 328.A NE2 TYR 326.A OH no hydrogen 2.887 N/A ASP 330.A N ASN 309.A O no hydrogen 3.015 N/A GLY 337.A N VAL 301.A O no hydrogen 3.200 N/A ALA 338.A N GLU 335.A O no hydrogen 3.310 N/A THR 339.A OG1 GLU 298.A OE2 no hydrogen 3.200 N/A THR 339.A OG1 GLY 299.A O no hydrogen 3.437 N/A PHE 340.A N GLY 299.A O no hydrogen 3.109 N/A ILE 342.A N LEU 297.A O no hydrogen 3.037 N/A GLY 343.A N LEU 288.A O no hydrogen 2.633 N/A LEU 344.A N VAL 295.A O no hydrogen 3.093 N/A ARG 348.A N PRO 345.A O no hydrogen 3.331 N/A ARG 348.A NH1 GLU 365.A OE2 no hydrogen 2.946 N/A CYS 349.A N PRO 346.A O no hydrogen 3.140 N/A CYS 349.A SG PRO 345.A O no hydrogen 3.140 N/A HIS 350.A N GLY 281.A O no hydrogen 2.837 N/A PHE 352.A N SER 279.A O no hydrogen 2.892 N/A ARG 353.A N THR 357.A O no hydrogen 2.998 N/A ARG 353.A NE ASP 271.A O no hydrogen 2.695 N/A ARG 353.A NH1 THR 357.A O no hydrogen 3.248 N/A ARG 353.A NH1 ALA 358.A O no hydrogen 3.072 N/A GLY 356.A N ARG 353.A O no hydrogen 2.750 N/A THR 357.A OG1 ASP 355.A OD1 no hydrogen 3.566 N/A ALA 358.A N ALA 223.A O no hydrogen 3.305 N/A CYS 359.A N LEU 351.A O no hydrogen 2.895 N/A CYS 359.A SG LEU 351.A O no hydrogen 3.112 N/A ARG 361.A NH1 HIS 220.A O no hydrogen 3.296 N/A ARG 361.A NH1 GLU 365.A OE2 no hydrogen 3.121 N/A ARG 361.A NH2 GLU 347.A O no hydrogen 2.816 N/A ARG 361.A NH2 GLU 365.A OE2 no hydrogen 2.473 N/A LEU 362.A N PRO 266.A O no hydrogen 2.950 N/A GLU 365.A N TYR 221.A OH no hydrogen 3.082 N/A