Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ub5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PRO 97.A O no hydrogen 2.768 N/A VAL 4.A N GLY 15.A O no hydrogen 3.118 N/A VAL 5.A N LEU 99.A O no hydrogen 2.992 N/A ASP 6.A N LYS 13.A O no hydrogen 2.892 N/A ASN 7.A N THR 101.A OG1 no hydrogen 3.291 N/A GLY 8.A N MET 11.A O no hydrogen 3.165 N/A CYS 12.A N PHE 26.A O no hydrogen 2.988 N/A CYS 12.A SG THR 84.A OG1 no hydrogen 3.754 N/A LYS 13.A N ASP 6.A O no hydrogen 2.947 N/A ALA 14.A N ALA 24.A O no hydrogen 3.047 N/A GLY 15.A N VAL 4.A O no hydrogen 2.974 N/A ALA 17.A N ALA 2.A O no hydrogen 3.010 N/A GLY 18.A N SER 339.A OG no hydrogen 2.695 N/A ASP 19.A N PHE 16.A O no hydrogen 3.249 N/A PHE 26.A N CYS 12.A O no hydrogen 2.985 N/A SER 28.A N GLY 10.A O no hydrogen 2.677 N/A VAL 30.A N LYS 63.A O no hydrogen 2.871 N/A GLY 31.A N TYR 48.A O no hydrogen 2.562 N/A ARG 32.A N THR 61.A O no hydrogen 3.076 N/A ARG 32.A NH2 ASP 76.A OD2 no hydrogen 3.558 N/A ARG 34.A N ILE 59.A O no hydrogen 2.720 N/A ARG 34.A NE LEU 60.A O no hydrogen 2.844 N/A ARG 34.A NH2 ARG 57.A O no hydrogen 2.827 N/A ARG 34.A NH2 LEU 60.A O no hydrogen 2.971 N/A GLY 50.A N ILE 29.A O no hydrogen 2.879 N/A GLN 54.A N GLY 50.A O no hydrogen 3.098 N/A SER 55.A N ASP 51.A O no hydrogen 2.832 N/A LYS 56.A N GLU 52.A O no hydrogen 3.103 N/A ARG 57.A N GLN 54.A O no hydrogen 2.853 N/A THR 61.A N ARG 32.A O no hydrogen 2.854 N/A LYS 63.A N VAL 30.A O no hydrogen 2.750 N/A GLU 67.A N ILE 70.A O no hydrogen 3.011 N/A GLY 69.A N SER 9.A OG no hydrogen 2.849 N/A ILE 70.A N GLU 67.A O no hydrogen 3.345 N/A THR 72.A N PRO 65.A O no hydrogen 2.785 N/A THR 72.A OG1 GLU 67.A OE1 no hydrogen 3.463 N/A ASP 76.A N ASN 73.A OD1 no hydrogen 2.603 N/A MET 77.A N ASN 73.A O no hydrogen 3.130 N/A GLU 78.A N TRP 74.A O no hydrogen 3.166 N/A LYS 79.A N ASP 76.A O no hydrogen 2.593 N/A ILE 80.A N ASP 76.A O no hydrogen 3.061 N/A TRP 81.A N MET 77.A O no hydrogen 2.945 N/A TRP 81.A NE1 ASN 7.A OD1 no hydrogen 2.879 N/A HIS 82.A N GLU 78.A O no hydrogen 2.787 N/A HIS 83.A N LYS 79.A O no hydrogen 2.781 N/A HIS 83.A ND1 ASN 87.A OD1 no hydrogen 2.647 N/A HIS 83.A NE2 GLU 88.A OE2 no hydrogen 3.161 N/A THR 84.A N ILE 80.A O no hydrogen 2.626 N/A THR 84.A OG1 ILE 80.A O no hydrogen 2.583 N/A PHE 85.A N TRP 81.A O no hydrogen 3.063 N/A TYR 86.A N HIS 82.A O no hydrogen 3.252 N/A ASN 87.A N HIS 83.A O no hydrogen 3.076 N/A GLU 88.A N HIS 83.A O no hydrogen 3.138 N/A LEU 89.A N THR 84.A O no hydrogen 3.073 N/A VAL 91.A N PHE 85.A O no hydrogen 2.668 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.641 N/A GLU 95.A N ALA 92.A O no hydrogen 2.809 N/A HIS 96.A N PRO 93.A O no hydrogen 3.196 N/A HIS 96.A ND1 ALA 1.A O no hydrogen 2.769 N/A VAL 98.A N ALA 126.A O no hydrogen 2.979 N/A LEU 99.A N LEU 3.A O no hydrogen 2.821 N/A LEU 100.A N TYR 128.A O no hydrogen 2.811 N/A THR 101.A OG1 ASP 6.A OD1 no hydrogen 3.005 N/A GLU 102.A N ALA 130.A O no hydrogen 2.880 N/A ASN 106.A N ALA 103.A O no hydrogen 3.307 N/A ASN 106.A ND2 GLU 102.A OE1 no hydrogen 2.998 N/A ASN 110.A ND2 VAL 71.A O no hydrogen 3.330 N/A ARG 111.A N PRO 107.A O no hydrogen 3.119 N/A ARG 111.A NE GLU 102.A OE1 no hydrogen 2.973 N/A ARG 111.A NH1 CYS 369.A O no hydrogen 3.155 N/A ARG 111.A NH2 GLU 102.A OE2 no hydrogen 2.926 N/A ARG 111.A NH2 CYS 369.A O no hydrogen 2.896 N/A GLU 112.A N LYS 108.A O no hydrogen 3.125 N/A LYS 113.A N ALA 109.A O no hydrogen 3.055 N/A LYS 113.A N ASN 110.A O no hydrogen 3.129 N/A LYS 113.A NZ GLN 116.A OE1 no hydrogen 3.278 N/A MET 114.A N ASN 110.A O no hydrogen 2.975 N/A THR 115.A N ARG 111.A O no hydrogen 3.239 N/A THR 115.A OG1 ARG 111.A O no hydrogen 2.902 N/A GLN 116.A N GLU 112.A O no hydrogen 3.020 N/A GLN 116.A NE2 GLU 120.A OE1 no hydrogen 3.456 N/A ILE 117.A N LYS 113.A O no hydrogen 2.949 N/A MET 118.A N MET 114.A O no hydrogen 3.327 N/A PHE 119.A N THR 115.A O no hydrogen 3.298 N/A PHE 119.A N GLN 116.A O no hydrogen 3.122 N/A GLU 120.A N GLN 116.A O no hydrogen 2.852 N/A THR 121.A N ILE 117.A O no hydrogen 3.154 N/A THR 121.A OG1 GLU 78.A OE1 no hydrogen 3.435 N/A PHE 122.A N ILE 117.A O no hydrogen 3.169 N/A THR 124.A N MET 118.A O no hydrogen 2.840 N/A MET 127.A N ILE 352.A O no hydrogen 3.002 N/A TYR 128.A N VAL 98.A O no hydrogen 3.013 N/A ALA 130.A N LEU 100.A O no hydrogen 2.938 N/A GLN 132.A N GLU 102.A O no hydrogen 2.928 N/A VAL 134.A N ILE 131.A O no hydrogen 2.850 N/A LEU 135.A N ILE 131.A O no hydrogen 3.341 N/A SER 136.A N GLN 132.A O no hydrogen 3.139 N/A LEU 137.A N ALA 133.A O no hydrogen 2.990 N/A TYR 138.A N VAL 134.A O no hydrogen 3.101 N/A TYR 138.A N LEU 135.A O no hydrogen 3.087 N/A ALA 139.A N LEU 135.A O no hydrogen 2.938 N/A SER 140.A OG LEU 137.A O no hydrogen 2.904 N/A GLY 141.A N TYR 138.A O no hydrogen 2.547 N/A ARG 142.A N LEU 137.A O no hydrogen 3.222 N/A ARG 142.A NE ASN 291.A OD1 no hydrogen 2.918 N/A THR 143.A OG1 GLU 162.A OE1 no hydrogen 3.395 N/A GLY 145.A N ILE 160.A O no hydrogen 3.027 N/A ILE 146.A N ASN 291.A O no hydrogen 3.098 N/A VAL 147.A N VAL 158.A O no hydrogen 2.979 N/A MET 148.A N VAL 293.A O no hydrogen 2.914 N/A ASP 149.A N HIS 156.A O no hydrogen 2.852 N/A SER 150.A N SER 295.A O no hydrogen 2.878 N/A SER 150.A OG THR 155.A OG1 no hydrogen 2.636 N/A GLY 151.A N VAL 154.A O no hydrogen 3.483 N/A THR 155.A N LEU 173.A O no hydrogen 2.834 N/A THR 155.A OG1 SER 150.A OG no hydrogen 2.636 N/A THR 155.A OG1 LEU 175.A O no hydrogen 2.764 N/A HIS 156.A N ASP 149.A O no hydrogen 2.771 N/A THR 157.A N LEU 171.A O no hydrogen 2.807 N/A THR 157.A OG1 LEU 171.A O no hydrogen 3.547 N/A THR 157.A OG1 SER 276.A OG no hydrogen 2.908 N/A VAL 158.A N VAL 147.A O no hydrogen 2.768 N/A ILE 160.A N GLY 145.A O no hydrogen 2.736 N/A TYR 161.A N TYR 164.A O no hydrogen 2.785 N/A GLU 162.A N THR 144.A OG1 no hydrogen 3.338 N/A GLY 163.A N THR 143.A O no hydrogen 2.892 N/A TYR 164.A N TYR 161.A O no hydrogen 2.585 N/A LEU 166.A N PRO 159.A O no hydrogen 3.196 N/A HIS 168.A NE2 LYS 279.A O no hydrogen 3.176 N/A ALA 169.A N LEU 166.A O no hydrogen 2.956 N/A ILE 170.A N PRO 167.A O no hydrogen 3.411 N/A LEU 171.A N THR 157.A O no hydrogen 2.931 N/A ARG 172.A NE ASP 174.A OD2 no hydrogen 2.966 N/A ARG 172.A NH2 ASP 174.A OD2 no hydrogen 2.779 N/A LEU 173.A N THR 155.A O no hydrogen 2.765 N/A ALA 176.A N ASP 179.A OD2 no hydrogen 2.558 N/A GLY 177.A N GLY 151.A O no hydrogen 3.034 N/A ARG 178.A N ASP 152.A O no hydrogen 3.000 N/A ARG 178.A NE ASP 182.A OD2 no hydrogen 3.252 N/A LEU 180.A N ALA 176.A O no hydrogen 3.291 N/A THR 181.A N GLY 177.A O no hydrogen 2.881 N/A THR 181.A OG1 GLY 177.A O no hydrogen 3.023 N/A ASP 182.A N ARG 178.A O no hydrogen 2.772 N/A TYR 183.A N ASP 179.A O no hydrogen 2.897 N/A LEU 184.A N LEU 180.A O no hydrogen 2.895 N/A MET 185.A N THR 181.A O no hydrogen 2.991 N/A LYS 186.A N ASP 182.A O no hydrogen 3.040 N/A ILE 187.A N TYR 183.A O no hydrogen 2.914 N/A LEU 188.A N LEU 184.A O no hydrogen 2.760 N/A LEU 188.A N MET 185.A O no hydrogen 3.167 N/A THR 189.A N MET 185.A O no hydrogen 2.946 N/A THR 189.A OG1 MET 185.A O no hydrogen 3.176 N/A GLU 190.A N LYS 186.A O no hydrogen 2.992 N/A ARG 191.A N ILE 187.A O no hydrogen 3.284 N/A ARG 191.A NH1 GLU 248.A OE2 no hydrogen 3.160 N/A GLY 192.A N THR 189.A O no hydrogen 3.178 N/A TYR 193.A N LEU 188.A O no hydrogen 3.237 N/A TYR 193.A OH THR 244.A O no hydrogen 3.405 N/A THR 196.A N GLU 200.A OE2 no hydrogen 2.727 N/A THR 196.A OG1 GLU 200.A OE2 no hydrogen 3.308 N/A THR 197.A N GLU 200.A OE2 no hydrogen 2.846 N/A GLU 200.A N THR 197.A O no hydrogen 2.865 N/A ARG 201.A N THR 197.A O no hydrogen 2.759 N/A ARG 201.A NE ASP 182.A OD1 no hydrogen 3.489 N/A VAL 204.A N GLU 200.A O no hydrogen 2.957 N/A ARG 205.A N ARG 201.A O no hydrogen 2.777 N/A ARG 205.A NE GLU 209.A OE2 no hydrogen 3.331 N/A ASP 206.A N GLU 202.A O no hydrogen 3.138 N/A ILE 207.A N ILE 203.A O no hydrogen 2.904 N/A LYS 208.A N VAL 204.A O no hydrogen 2.812 N/A LYS 208.A NZ GLY 177.A O no hydrogen 3.014 N/A LYS 208.A NZ THR 181.A OG1 no hydrogen 2.982 N/A GLU 209.A N ARG 205.A O no hydrogen 2.996 N/A LYS 210.A N ASP 206.A O no hydrogen 2.852 N/A LYS 210.A NZ ASP 206.A OD1 no hydrogen 2.791 N/A LYS 210.A NZ ASP 206.A OD2 no hydrogen 3.181 N/A LEU 211.A N ILE 207.A O no hydrogen 2.664 N/A CYS 212.A N LYS 208.A O no hydrogen 3.038 N/A TYR 213.A N ARG 249.A O no hydrogen 2.939 N/A TYR 213.A OH GLU 221.A OE2 no hydrogen 2.774 N/A VAL 214.A N PRO 302.A O no hydrogen 2.857 N/A GLN 220.A N ASP 217.A OD1 no hydrogen 3.018 N/A GLU 221.A N ASP 217.A O no hydrogen 3.141 N/A MET 222.A N PHE 218.A O no hydrogen 3.085 N/A ALA 223.A N GLU 219.A O no hydrogen 3.006 N/A THR 224.A N GLN 220.A O no hydrogen 2.966 N/A THR 224.A OG1 GLN 220.A O no hydrogen 3.191 N/A ALA 225.A N GLU 221.A O no hydrogen 2.805 N/A ALA 226.A N MET 222.A O no hydrogen 2.877 N/A SER 227.A OG ALA 223.A O no hydrogen 2.756 N/A SER 228.A OG SER 227.A O no hydrogen 3.071 N/A GLU 232.A N SER 229.A O no hydrogen 2.998 N/A LYS 233.A N ILE 245.A O no hydrogen 2.749 N/A LYS 233.A NZ GLU 232.A O no hydrogen 2.683 N/A TYR 235.A N ILE 243.A O no hydrogen 2.695 N/A TYR 235.A OH ASP 206.A OD2 no hydrogen 2.583 N/A LEU 237.A N GLN 241.A O no hydrogen 2.907 N/A GLN 241.A N ASP 239.A OD1 no hydrogen 3.034 N/A GLN 241.A NE2 ASP 239.A OD2 no hydrogen 3.131 N/A ILE 243.A N TYR 235.A O no hydrogen 2.896 N/A THR 244.A N TYR 193.A OH no hydrogen 3.130 N/A ILE 245.A N LYS 233.A O no hydrogen 2.787 N/A GLY 246.A N GLU 248.A OE1 no hydrogen 2.815 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.709 N/A ARG 249.A N GLY 246.A O no hydrogen 2.863 N/A ARG 249.A NE LEU 231.A O no hydrogen 3.224 N/A ARG 249.A NH1 LEU 211.A O no hydrogen 3.318 N/A ARG 249.A NH2 LEU 231.A O no hydrogen 3.074 N/A PHE 250.A N ASN 247.A O no hydrogen 3.371 N/A ARG 251.A N ASN 247.A O no hydrogen 3.001 N/A ARG 251.A N GLU 248.A O no hydrogen 3.294 N/A CYS 252.A N GLU 248.A O no hydrogen 3.316 N/A CYS 252.A SG LEU 180.A O no hydrogen 3.343 N/A ALA 255.A N CYS 252.A O no hydrogen 3.105 N/A LEU 256.A N PRO 253.A O no hydrogen 2.790 N/A PHE 257.A N GLU 254.A O no hydrogen 3.074 N/A GLN 258.A N GLU 254.A O no hydrogen 2.819 N/A GLN 258.A NE2 GLU 254.A OE2 no hydrogen 2.548 N/A PHE 261.A N GLN 258.A O no hydrogen 2.960 N/A LEU 262.A N PRO 259.A O no hydrogen 3.074 N/A GLY 263.A N SER 260.A O no hydrogen 3.132 N/A MET 264.A N PRO 259.A O no hydrogen 2.977 N/A ILE 269.A N LEU 256.A O no hydrogen 2.822 N/A HIS 270.A N HIS 270.A ND1 no hydrogen 2.743 N/A THR 272.A N GLY 268.A O no hydrogen 2.897 N/A THR 272.A OG1 GLY 268.A O no hydrogen 3.022 N/A THR 273.A N ILE 269.A O no hydrogen 3.007 N/A THR 273.A OG1 ILE 269.A O no hydrogen 2.880 N/A PHE 274.A N HIS 270.A O no hydrogen 3.046 N/A ASN 275.A N GLU 271.A O no hydrogen 2.786 N/A SER 276.A N THR 272.A O no hydrogen 3.210 N/A SER 276.A OG THR 157.A O no hydrogen 3.508 N/A SER 276.A OG THR 157.A OG1 no hydrogen 2.908 N/A SER 276.A OG ALA 169.A O no hydrogen 2.692 N/A ILE 277.A N THR 273.A O no hydrogen 3.194 N/A MET 278.A N PHE 274.A O no hydrogen 2.973 N/A LYS 279.A N SER 276.A O no hydrogen 3.092 N/A CYS 280.A N ILE 277.A O no hydrogen 2.966 N/A CYS 280.A SG SER 276.A O no hydrogen 3.529 N/A ASP 283.A N ASP 281.A OD1 no hydrogen 2.832 N/A ILE 284.A N ASP 281.A O no hydrogen 3.007 N/A ARG 285.A NE CYS 280.A O no hydrogen 2.975 N/A ARG 285.A NH2 CYS 280.A O no hydrogen 3.194 N/A LEU 288.A N ILE 284.A O no hydrogen 3.110 N/A LEU 288.A N ARG 285.A O no hydrogen 2.968 N/A TYR 289.A N ARG 285.A O no hydrogen 3.046 N/A ALA 290.A N LYS 286.A O no hydrogen 3.405 N/A ASN 291.A N LEU 288.A O no hydrogen 2.804 N/A ASN 291.A ND2 ASP 287.A O no hydrogen 2.772 N/A THR 292.A N LYS 323.A O no hydrogen 3.184 N/A THR 292.A OG1 LEU 288.A O no hydrogen 3.084 N/A VAL 293.A N ILE 146.A O no hydrogen 2.883 N/A LEU 294.A N ILE 325.A O no hydrogen 3.128 N/A SER 295.A N MET 148.A O no hydrogen 2.755 N/A SER 295.A OG ASP 149.A OD2 no hydrogen 3.196 N/A GLY 296.A N ARG 330.A O no hydrogen 3.199 N/A THR 298.A N SER 150.A O no hydrogen 3.226 N/A THR 298.A OG1 GLY 151.A O no hydrogen 2.697 N/A THR 299.A N GLY 296.A O no hydrogen 3.157 N/A THR 299.A OG1 GLY 296.A O no hydrogen 2.780 N/A MET 300.A N GLY 297.A O no hydrogen 2.969 N/A ILE 304.A N TYR 301.A O no hydrogen 3.196 N/A ARG 307.A N GLY 303.A O no hydrogen 3.027 N/A ARG 307.A NE GLU 311.A OE2 no hydrogen 2.910 N/A ARG 307.A NH1 ALA 215.A O no hydrogen 2.949 N/A ARG 307.A NH1 GLU 254.A OE1 no hydrogen 2.861 N/A ARG 307.A NH2 GLU 254.A OE2 no hydrogen 3.012 N/A ARG 307.A NH2 GLU 311.A OE2 no hydrogen 3.241 N/A MET 308.A N ILE 304.A O no hydrogen 2.792 N/A GLN 309.A N ALA 305.A O no hydrogen 2.808 N/A LYS 310.A N ASP 306.A O no hydrogen 2.963 N/A LYS 310.A NZ LEU 216.A O no hydrogen 3.034 N/A GLU 311.A N ARG 307.A O no hydrogen 2.842 N/A ILE 312.A N MET 308.A O no hydrogen 2.874 N/A THR 313.A N GLN 309.A O no hydrogen 3.052 N/A THR 313.A OG1 GLN 309.A O no hydrogen 2.700 N/A THR 313.A OG1 GLN 309.A OE1 no hydrogen 3.109 N/A ALA 314.A N LYS 310.A O no hydrogen 3.318 N/A ALA 316.A N ILE 312.A O no hydrogen 2.830 N/A MET 320.A N PRO 317.A O no hydrogen 3.359 N/A LYS 323.A N TYR 289.A O no hydrogen 3.041 N/A ILE 325.A N THR 292.A O no hydrogen 2.815 N/A ARG 330.A N PRO 327.A O no hydrogen 2.786 N/A ARG 330.A NE THR 299.A O no hydrogen 2.852 N/A ARG 330.A NH1 PRO 327.A O no hydrogen 2.680 N/A ARG 330.A NH2 THR 299.A O no hydrogen 2.941 N/A TYR 332.A N GLU 329.A O no hydrogen 2.817 N/A ILE 336.A N TYR 332.A O no hydrogen 3.273 N/A GLY 337.A N SER 333.A O no hydrogen 2.899 N/A GLY 338.A N VAL 334.A O no hydrogen 3.210 N/A SER 339.A N TRP 335.A O no hydrogen 3.062 N/A SER 339.A N ILE 336.A O no hydrogen 2.740 N/A SER 339.A OG ASP 19.A O no hydrogen 2.866 N/A ILE 340.A N ILE 336.A O no hydrogen 2.838 N/A LEU 341.A N GLY 337.A O no hydrogen 2.908 N/A ALA 342.A N GLY 338.A O no hydrogen 2.855 N/A SER 343.A OG SER 339.A O no hydrogen 2.946 N/A SER 343.A OG ILE 340.A O no hydrogen 2.979 N/A LEU 344.A N LEU 341.A O no hydrogen 3.293 N/A PHE 347.A N LEU 344.A O no hydrogen 2.979 N/A GLN 348.A N SER 345.A O no hydrogen 3.087 N/A GLN 349.A N THR 346.A O no hydrogen 2.982 N/A MET 350.A N PHE 347.A O no hydrogen 2.839 N/A TRP 351.A N PHE 347.A O no hydrogen 3.114 N/A ILE 352.A N MET 127.A O no hydrogen 2.654 N/A SER 353.A N GLU 356.A OE1 no hydrogen 2.897 N/A LYS 354.A N PRO 125.A O no hydrogen 3.323 N/A LYS 354.A NZ ASP 358.A OD1 no hydrogen 3.143 N/A GLN 355.A N SER 353.A OG no hydrogen 3.409 N/A TYR 357.A N SER 353.A O no hydrogen 2.914 N/A TYR 357.A OH GLU 120.A OE2 no hydrogen 2.938 N/A ASP 358.A N LYS 354.A O no hydrogen 3.022 N/A GLU 359.A N GLN 355.A O no hydrogen 2.741 N/A SER 360.A N GLU 356.A O no hydrogen 2.634 N/A GLY 361.A N TYR 357.A O no hydrogen 2.567 N/A ILE 364.A N GLY 361.A O no hydrogen 2.950 N/A VAL 365.A N PRO 362.A O no hydrogen 3.172 N/A HIS 366.A N SER 363.A O no hydrogen 3.076 N/A HIS 366.A NE2 GLU 112.A OE2 no hydrogen 3.022 N/A ARG 367.A N ILE 364.A O no hydrogen 3.023 N/A LYS 368.A N ILE 364.A O no hydrogen 3.085 N/A LYS 368.A NZ TRP 351.A O no hydrogen 3.073 N/A LYS 368.A NZ GLU 356.A OE1 no hydrogen 2.938 N/A LYS 368.A NZ GLU 356.A OE2 no hydrogen 2.950 N/A CYS 369.A N VAL 365.A O no hydrogen 3.176 N/A