Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1b3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N TYR 1.A O no hydrogen 3.189 N/A ALA 6.A N VAL 2.A O no hydrogen 2.708 N/A SER 7.A N ALA 3.A O no hydrogen 2.799 N/A SER 7.A OG ALA 3.A O no hydrogen 2.535 N/A ASP 8.A N HIS 4.A O no hydrogen 3.324 N/A PHE 9.A N LEU 5.A O no hydrogen 3.074 N/A GLY 10.A N ALA 6.A O no hydrogen 3.133 N/A VAL 11.A N SER 7.A O no hydrogen 3.063 N/A ARG 12.A N ASP 8.A O no hydrogen 2.795 N/A VAL 13.A N PHE 9.A O no hydrogen 3.063 N/A PHE 14.A N GLY 10.A O no hydrogen 2.949 N/A GLN 15.A N VAL 11.A O no hydrogen 2.804 N/A GLN 16.A NE2 ARG 12.A O no hydrogen 3.679 N/A VAL 17.A N VAL 13.A O no hydrogen 3.371 N/A ALA 18.A N PHE 14.A O no hydrogen 2.802 N/A GLN 19.A N GLN 15.A O no hydrogen 2.801 N/A SER 21.A N ALA 18.A O no hydrogen 2.500 N/A SER 21.A OG VAL 17.A O no hydrogen 3.311 N/A ASN 25.A ND2 GLU 372.A O no hydrogen 3.499 N/A VAL 26.A N GLN 369.A O no hydrogen 3.173 N/A VAL 27.A N THR 276.A OG1 no hydrogen 2.800 N/A PHE 28.A N MET 367.A O no hydrogen 2.699 N/A SER 29.A OG LEU 365.A O no hydrogen 2.774 N/A GLY 32.A N SER 29.A OG no hydrogen 2.898 N/A VAL 33.A N SER 29.A O no hydrogen 3.199 N/A ALA 34.A N PRO 30.A O no hydrogen 3.111 N/A SER 35.A N TYR 31.A O no hydrogen 2.914 N/A SER 35.A OG ASP 89.A OD1 no hydrogen 3.354 N/A SER 35.A OG ASP 89.A OD2 no hydrogen 2.743 N/A VAL 36.A N GLY 32.A O no hydrogen 3.194 N/A LEU 37.A N VAL 33.A O no hydrogen 3.437 N/A ALA 38.A N ALA 34.A O no hydrogen 3.257 N/A ALA 38.A N SER 35.A O no hydrogen 2.749 N/A MET 39.A N SER 35.A O no hydrogen 3.232 N/A MET 39.A N VAL 36.A O no hydrogen 3.025 N/A LEU 40.A N VAL 36.A O no hydrogen 2.771 N/A GLN 41.A NE2 PHE 58.A O no hydrogen 3.167 N/A LEU 42.A N MET 39.A O no hydrogen 2.834 N/A THR 43.A OG1 LEU 40.A O no hydrogen 2.825 N/A THR 44.A N LEU 40.A O no hydrogen 3.251 N/A THR 44.A N GLN 41.A O no hydrogen 3.120 N/A THR 44.A OG1 ASP 299.A O no hydrogen 3.205 N/A GLY 45.A N ASP 299.A O no hydrogen 2.956 N/A GLN 50.A N GLY 46.A O no hydrogen 3.300 N/A GLN 51.A N GLU 47.A O no hydrogen 3.466 N/A ILE 52.A N THR 48.A O no hydrogen 3.366 N/A GLN 53.A N GLN 49.A O no hydrogen 3.040 N/A ALA 54.A N GLN 50.A O no hydrogen 2.685 N/A ALA 55.A N GLN 51.A O no hydrogen 2.970 N/A MET 56.A N ILE 52.A O no hydrogen 2.798 N/A MET 56.A N GLN 53.A O no hydrogen 2.972 N/A GLY 57.A N GLN 53.A O no hydrogen 2.730 N/A GLY 57.A N ALA 54.A O no hydrogen 3.208 N/A LYS 59.A NZ ASP 62.A OD2 no hydrogen 3.159 N/A ILE 60.A N GLN 41.A OE1 no hydrogen 2.920 N/A ASP 62.A N LYS 59.A O no hydrogen 2.947 N/A MET 65.A N ASP 62.A O no hydrogen 3.278 N/A ALA 68.A N GLY 64.A O no hydrogen 3.101 N/A LEU 69.A N MET 65.A O no hydrogen 3.158 N/A ARG 70.A N ALA 66.A O no hydrogen 2.957 N/A ARG 70.A NH1 LEU 110.A O no hydrogen 3.113 N/A HIS 71.A N PRO 67.A O no hydrogen 2.915 N/A LEU 72.A N ALA 68.A O no hydrogen 3.025 N/A TYR 73.A N LEU 69.A O no hydrogen 2.909 N/A LYS 74.A N ARG 70.A O no hydrogen 3.055 N/A GLU 75.A N HIS 71.A O no hydrogen 2.977 N/A LEU 76.A N LEU 72.A O no hydrogen 3.061 N/A LEU 76.A N TYR 73.A O no hydrogen 3.190 N/A MET 77.A N TYR 73.A O no hydrogen 3.030 N/A TRP 80.A NE1 GLU 75.A O no hydrogen 2.699 N/A ASN 81.A ND2 LEU 76.A O no hydrogen 2.742 N/A ASN 81.A ND2 ILE 85.A O no hydrogen 3.144 N/A GLU 84.A N ASN 81.A O no hydrogen 2.985 N/A GLU 84.A N ASN 81.A OD1 no hydrogen 3.162 N/A ILE 85.A N ASN 81.A OD1 no hydrogen 3.006 N/A SER 86.A N TYR 164.A O no hydrogen 2.855 N/A THR 88.A OG1 ASP 89.A O no hydrogen 3.524 N/A PHE 92.A N VAL 158.A O no hydrogen 2.821 N/A VAL 93.A N LYS 116.A O no hydrogen 2.806 N/A GLN 94.A N ARG 156.A O no hydrogen 3.057 N/A ARG 95.A N VAL 118.A O no hydrogen 2.944 N/A LEU 97.A N GLN 94.A O no hydrogen 3.196 N/A LYS 98.A N GLN 306.A OE1 no hydrogen 2.983 N/A VAL 100.A N LEU 303.A O no hydrogen 2.801 N/A PHE 103.A N VAL 100.A O no hydrogen 3.012 N/A HIS 106.A N GLY 102.A O no hydrogen 3.432 N/A PHE 107.A N PHE 103.A O no hydrogen 2.753 N/A PHE 108.A N MET 104.A O no hydrogen 2.867 N/A ARG 109.A N PRO 105.A O no hydrogen 2.967 N/A ARG 109.A N HIS 106.A O no hydrogen 2.741 N/A LEU 110.A N HIS 106.A O no hydrogen 3.207 N/A PHE 111.A N PHE 107.A O no hydrogen 2.948 N/A ARG 112.A N PHE 108.A O no hydrogen 3.002 N/A ARG 112.A NH1 ARG 109.A O no hydrogen 2.620 N/A SER 113.A OG PHE 111.A O no hydrogen 2.938 N/A VAL 118.A N VAL 93.A O no hydrogen 3.156 N/A PHE 120.A N GLN 94.A OE1 no hydrogen 3.157 N/A SER 121.A N ASP 119.A OD1 no hydrogen 2.859 N/A SER 121.A OG ASP 119.A OD1 no hydrogen 2.899 N/A GLU 122.A N ASP 119.A O no hydrogen 2.911 N/A ALA 126.A N GLU 122.A O no hydrogen 2.720 N/A ARG 127.A N VAL 123.A O no hydrogen 2.967 N/A ARG 127.A NH2 VAL 151.A O no hydrogen 2.887 N/A PHE 128.A N ARG 125.A O no hydrogen 2.898 N/A ILE 129.A N ARG 125.A O no hydrogen 2.781 N/A ILE 130.A N ALA 126.A O no hydrogen 2.908 N/A ASN 131.A N ARG 127.A O no hydrogen 3.428 N/A ASN 131.A ND2 THR 148.A OG1 no hydrogen 3.302 N/A ASP 132.A N PHE 128.A O no hydrogen 2.622 N/A TRP 133.A N ILE 129.A O no hydrogen 3.184 N/A TRP 133.A N ILE 130.A O no hydrogen 2.850 N/A VAL 134.A N ILE 130.A O no hydrogen 3.217 N/A LYS 135.A N ASN 131.A O no hydrogen 2.993 N/A THR 136.A N ASP 132.A O no hydrogen 3.029 N/A THR 136.A OG1 ASP 132.A O no hydrogen 2.983 N/A THR 136.A OG1 TRP 133.A O no hydrogen 3.168 N/A THR 136.A OG1 HIS 137.A ND1 no hydrogen 2.861 N/A HIS 137.A ND1 THR 136.A OG1 no hydrogen 2.861 N/A THR 138.A OG1 VAL 134.A O no hydrogen 2.533 N/A THR 138.A OG1 ILE 142.A O no hydrogen 3.179 N/A LYS 139.A NZ ASP 83.A OD2 no hydrogen 2.458 N/A GLY 140.A N LYS 135.A O no hydrogen 2.775 N/A MET 141.A N THR 138.A O no hydrogen 2.968 N/A ILE 142.A N THR 138.A OG1 no hydrogen 2.921 N/A LEU 146.A N GLU 277.A OE1 no hydrogen 3.008 N/A GLY 147.A N GLU 277.A OE2 no hydrogen 2.768 N/A THR 148.A N LEU 145.A O no hydrogen 3.332 N/A THR 148.A OG1 ASN 131.A OD1 no hydrogen 3.485 N/A THR 148.A OG1 LEU 145.A O no hydrogen 2.824 N/A GLY 149.A N LEU 146.A O no hydrogen 2.861 N/A ALA 150.A N GLY 147.A O no hydrogen 2.727 N/A VAL 151.A N THR 148.A O no hydrogen 2.742 N/A ASP 152.A N THR 155.A OG1 no hydrogen 2.863 N/A LEU 154.A N ASP 152.A OD2 no hydrogen 3.133 N/A THR 155.A N ASP 152.A O no hydrogen 2.853 N/A THR 155.A OG1 ASP 152.A O no hydrogen 2.764 N/A THR 155.A OG1 ASP 152.A OD1 no hydrogen 3.510 N/A VAL 158.A N PHE 92.A O no hydrogen 2.844 N/A LEU 159.A N LEU 313.A O no hydrogen 2.818 N/A VAL 160.A N ALA 90.A O no hydrogen 2.966 N/A ASN 161.A N LEU 315.A O no hydrogen 3.009 N/A ASN 161.A ND2 GLN 316.A OE1 no hydrogen 2.986 N/A ALA 162.A N THR 88.A O no hydrogen 3.068 N/A LEU 163.A N LYS 317.A O no hydrogen 3.085 N/A TYR 164.A N SER 86.A O no hydrogen 3.227 N/A TYR 164.A OH GLU 321.A OE2 no hydrogen 3.216 N/A PHE 165.A N LYS 319.A O no hydrogen 2.949 N/A ASN 166.A N GLU 84.A O no hydrogen 2.898 N/A ASN 166.A ND2 GLU 321.A O no hydrogen 3.268 N/A ASN 166.A ND2 ASN 323.A OD1 no hydrogen 3.330 N/A GLN 168.A N GLU 84.A OE1 no hydrogen 3.122 N/A TRP 169.A NE1 ASN 323.A O no hydrogen 2.808 N/A LYS 170.A N PRO 221.A O no hydrogen 2.957 N/A LYS 170.A NZ ASP 225.A OD1 no hydrogen 2.980 N/A LYS 170.A NZ ASP 225.A OD2 no hydrogen 2.652 N/A PHE 173.A N GLU 324.A O no hydrogen 2.780 N/A SER 177.A N PRO 174.A O no hydrogen 3.264 N/A THR 178.A N ASP 175.A O no hydrogen 3.150 N/A THR 178.A OG1 GLU 324.A OE2 no hydrogen 3.239 N/A PHE 183.A N VAL 191.A O no hydrogen 2.680 N/A HIS 184.A N ASP 349.A O no hydrogen 2.851 N/A LYS 185.A N SER 189.A O no hydrogen 3.242 N/A GLY 188.A N LYS 185.A O no hydrogen 3.139 N/A SER 189.A N ASP 187.A OD1 no hydrogen 3.462 N/A VAL 191.A N PHE 183.A O no hydrogen 2.895 N/A VAL 193.A N ARG 181.A O no hydrogen 3.054 N/A MET 195.A N HIS 179.A O no hydrogen 2.907 N/A GLN 198.A N LEU 267.A O no hydrogen 2.987 N/A GLN 198.A NE2 THR 171.A O no hydrogen 2.946 N/A ASN 200.A N ARG 265.A O no hydrogen 3.133 N/A LYS 201.A N ASN 200.A OD1 no hydrogen 2.522 N/A ASN 203.A ND2 GLU 219.A OE1 no hydrogen 3.304 N/A TYR 204.A N THR 261.A O no hydrogen 3.015 N/A TYR 204.A OH ASP 216.A OD1 no hydrogen 2.461 N/A THR 205.A N ILE 217.A O no hydrogen 3.094 N/A THR 205.A OG1 GLU 206.A O no hydrogen 3.228 N/A PHE 207.A N TYR 215.A O no hydrogen 2.935 N/A THR 209.A N HIS 213.A O no hydrogen 2.760 N/A THR 209.A OG1 ASP 211.A OD1 no hydrogen 2.681 N/A THR 209.A OG1 HIS 213.A O no hydrogen 3.423 N/A ASP 211.A N THR 209.A O no hydrogen 2.421 N/A GLY 212.A N THR 209.A O no hydrogen 3.225 N/A HIS 213.A N THR 209.A OG1 no hydrogen 3.159 N/A TYR 215.A N PHE 207.A O no hydrogen 2.855 N/A TYR 215.A OH PRO 240.A O no hydrogen 2.804 N/A ASP 216.A N ALA 233.A O no hydrogen 2.679 N/A ILE 217.A N THR 205.A O no hydrogen 2.822 N/A LEU 218.A N ILE 231.A O no hydrogen 2.788 N/A GLU 219.A N ASN 203.A O no hydrogen 3.222 N/A LEU 220.A N MET 229.A O no hydrogen 2.650 N/A TYR 222.A N LEU 227.A O no hydrogen 2.793 N/A HIS 223.A N GLN 168.A O no hydrogen 2.615 N/A ASP 225.A N TYR 222.A O no hydrogen 2.903 N/A THR 226.A N HIS 223.A O no hydrogen 3.417 N/A SER 228.A N ARG 357.A O no hydrogen 3.263 N/A SER 228.A OG GLU 219.A OE2 no hydrogen 2.828 N/A SER 228.A OG ASN 359.A OD1 no hydrogen 2.647 N/A MET 229.A N LEU 220.A O no hydrogen 2.842 N/A PHE 230.A N VAL 355.A O no hydrogen 2.756 N/A ILE 231.A N LEU 218.A O no hydrogen 3.084 N/A ALA 232.A N LEU 353.A O no hydrogen 2.809 N/A ALA 233.A N ASP 216.A O no hydrogen 3.062 N/A TYR 235.A N TYR 214.A O no hydrogen 3.055 N/A VAL 239.A N LYS 237.A O no hydrogen 2.288 N/A LEU 244.A N TYR 215.A OH no hydrogen 2.986 N/A THR 245.A OG1 SER 242.A O no hydrogen 2.763 N/A ASN 246.A N SER 242.A O no hydrogen 3.330 N/A ASN 246.A ND2 SER 242.A OG no hydrogen 3.086 N/A ILE 247.A N LEU 244.A O no hydrogen 2.930 N/A SER 249.A OG ILE 247.A O no hydrogen 3.503 N/A ALA 250.A N ASP 8.A OD1 no hydrogen 2.837 N/A ILE 253.A N SER 249.A O no hydrogen 3.368 N/A SER 254.A OG ALA 250.A O no hydrogen 3.493 N/A HIS 255.A N GLN 251.A O no hydrogen 2.980 N/A HIS 255.A N LEU 252.A O no hydrogen 2.765 N/A TRP 256.A N LEU 252.A O no hydrogen 2.818 N/A LYS 257.A N ILE 253.A O no hydrogen 2.885 N/A GLY 258.A N HIS 255.A O no hydrogen 2.749 N/A THR 261.A N TYR 204.A O no hydrogen 2.733 N/A THR 261.A OG1 TYR 204.A O no hydrogen 3.505 N/A LEU 263.A N PHE 202.A O no hydrogen 2.976 N/A ARG 265.A N ASN 200.A O no hydrogen 3.044 N/A LEU 266.A N GLU 344.A O no hydrogen 3.330 N/A LEU 267.A N GLN 198.A O no hydrogen 2.761 N/A VAL 268.A N ILE 346.A O no hydrogen 2.968 N/A LEU 269.A N MET 196.A O no hydrogen 2.894 N/A LYS 271.A N PRO 194.A O no hydrogen 3.233 N/A PHE 272.A N VAL 322.A O no hydrogen 3.103 N/A SER 273.A OG GLU 321.A OE1 no hydrogen 3.223 N/A LEU 274.A N ILE 320.A O no hydrogen 2.908 N/A THR 276.A N VAL 318.A O no hydrogen 3.150 N/A VAL 278.A N GLN 316.A O no hydrogen 2.918 N/A ARG 281.A NH1 GLU 285.A OE1 no hydrogen 2.780 N/A ARG 281.A NH1 GLU 285.A OE2 no hydrogen 3.360 N/A LEU 284.A N LEU 280.A O no hydrogen 2.960 N/A GLU 285.A N ARG 281.A O no hydrogen 3.139 N/A ASN 286.A N LYS 282.A O no hydrogen 2.908 N/A LEU 287.A N LEU 284.A O no hydrogen 3.079 N/A GLY 288.A N GLU 285.A O no hydrogen 2.802 N/A THR 290.A OG1 GLY 288.A O no hydrogen 3.561 N/A THR 290.A OG1 ASP 291.A OD1 no hydrogen 3.499 N/A ASP 291.A N GLN 51.A OE1 no hydrogen 2.730 N/A PHE 293.A N THR 290.A O no hydrogen 3.217 N/A ARG 294.A N ASP 291.A O no hydrogen 2.839 N/A GLN 297.A N ARG 294.A O no hydrogen 3.237 N/A ALA 298.A N ARG 294.A O no hydrogen 2.801 N/A THR 301.A N ASP 299.A OD1 no hydrogen 3.123 N/A THR 301.A OG1 ASP 299.A OD1 no hydrogen 2.845 N/A LEU 303.A N PHE 300.A O no hydrogen 2.758 N/A SER 304.A N PHE 300.A O no hydrogen 2.909 N/A SER 304.A OG LYS 98.A O no hydrogen 3.277 N/A VAL 311.A N MET 292.A O no hydrogen 2.914 N/A ALA 312.A N LEU 157.A O no hydrogen 2.681 N/A LEU 315.A N LEU 159.A O no hydrogen 3.199 N/A GLN 316.A N VAL 278.A O no hydrogen 3.265 N/A LYS 317.A N ASN 161.A O no hydrogen 3.013 N/A LYS 317.A NZ GLU 275.A OE2 no hydrogen 2.923 N/A VAL 318.A N THR 276.A O no hydrogen 2.805 N/A LYS 319.A N LEU 163.A O no hydrogen 3.163 N/A LYS 319.A NZ GLU 275.A OE2 no hydrogen 2.791 N/A ILE 320.A N LEU 274.A O no hydrogen 2.892 N/A GLU 321.A N PHE 165.A O no hydrogen 2.796 N/A VAL 322.A N PHE 272.A O no hydrogen 2.961 N/A THR 327.A N SER 325.A OG no hydrogen 2.844 N/A THR 327.A OG1 GLY 326.A O no hydrogen 2.271 N/A THR 333.A OG1 SER 332.A O no hydrogen 2.838 N/A ILE 346.A N LEU 266.A O no hydrogen 2.800 N/A ILE 348.A N VAL 268.A O no hydrogen 2.973 N/A PHE 352.A N VAL 370.A O no hydrogen 3.162 N/A LEU 353.A N ALA 232.A O no hydrogen 2.819 N/A PHE 354.A N GLY 368.A O no hydrogen 2.990 N/A VAL 355.A N PHE 230.A O no hydrogen 2.886 N/A VAL 356.A N PHE 366.A O no hydrogen 2.835 N/A ARG 357.A N SER 228.A O no hydrogen 3.055 N/A HIS 358.A N THR 363.A O no hydrogen 2.778 N/A HIS 358.A NE2 GLU 75.A OE2 no hydrogen 2.660 N/A ASN 359.A N THR 226.A O no hydrogen 3.159 N/A THR 361.A OG1 HIS 358.A O no hydrogen 3.382 N/A THR 361.A OG1 THR 363.A OG1 no hydrogen 2.785 N/A GLY 362.A N HIS 358.A O no hydrogen 2.639 N/A THR 363.A N THR 361.A OG1 no hydrogen 3.150 N/A THR 363.A OG1 THR 361.A OG1 no hydrogen 2.785 N/A VAL 364.A N SER 7.A OG no hydrogen 3.224 N/A PHE 366.A N VAL 356.A O no hydrogen 3.073 N/A MET 367.A N PHE 28.A O no hydrogen 2.729 N/A GLY 368.A N PHE 354.A O no hydrogen 3.186 N/A GLN 369.A N VAL 26.A O no hydrogen 2.959 N/A GLN 369.A NE2 ARG 24.A O no hydrogen 3.029 N/A VAL 370.A N PHE 352.A O no hydrogen 3.165 N/A MET 371.A N ASN 25.A OD1 no hydrogen 2.712 N/A GLU 372.A N ASN 25.A OD1 no hydrogen 2.719 N/A