Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e5r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 25.A O no hydrogen 3.109 N/A LYS 4.A NZ GLU 28.A OE1 no hydrogen 3.153 N/A ILE 5.A N GLU 28.A O no hydrogen 2.926 N/A GLY 6.A N TYR 95.A O no hydrogen 2.730 N/A ILE 7.A N ALA 31.A O no hydrogen 3.015 N/A ASN 8.A N VAL 97.A O no hydrogen 2.870 N/A ASN 8.A ND2 GLU 98.A OE1 no hydrogen 2.901 N/A GLY 9.A N ASN 33.A O no hydrogen 2.873 N/A PHE 10.A N ASP 34.A OD2 no hydrogen 2.769 N/A ARG 12.A NE GLU 318.A OE2 no hydrogen 2.756 N/A ARG 12.A NH1 ASP 49.A OD2 no hydrogen 2.751 N/A ARG 12.A NH2 ASP 49.A OD1 no hydrogen 3.073 N/A ARG 12.A NH2 ASP 49.A OD2 no hydrogen 3.304 N/A ARG 12.A NH2 GLU 318.A OE1 no hydrogen 2.871 N/A ARG 12.A NH2 GLU 318.A OE2 no hydrogen 3.412 N/A ARG 15.A N GLY 11.A O no hydrogen 2.810 N/A ARG 15.A NE MET 45.A O no hydrogen 3.251 N/A ARG 15.A NH1 PHE 10.A O no hydrogen 3.040 N/A LEU 16.A N ARG 12.A O no hydrogen 3.253 N/A VAL 17.A N ILE 13.A O no hydrogen 2.783 N/A ALA 18.A N GLY 14.A O no hydrogen 3.029 N/A ARG 19.A N ARG 15.A O no hydrogen 2.992 N/A ARG 19.A NH1 HIS 52.A O no hydrogen 3.273 N/A ARG 19.A NH1 GLY 53.A O no hydrogen 3.041 N/A ARG 19.A NH2 PHE 46.A O no hydrogen 3.180 N/A ARG 19.A NH2 GLY 53.A O no hydrogen 2.858 N/A VAL 20.A N LEU 16.A O no hydrogen 2.987 N/A ALA 21.A N VAL 17.A O no hydrogen 2.966 N/A LEU 22.A N ALA 18.A O no hydrogen 2.792 N/A GLN 23.A N ARG 19.A O no hydrogen 3.005 N/A GLN 23.A N VAL 20.A O no hydrogen 3.228 N/A SER 24.A N VAL 20.A O no hydrogen 3.130 N/A SER 24.A N ALA 21.A O no hydrogen 3.134 N/A SER 24.A OG ALA 21.A O no hydrogen 2.783 N/A VAL 27.A N SER 24.A OG no hydrogen 2.882 N/A GLU 28.A N ILE 3.A O no hydrogen 2.733 N/A VAL 30.A N ILE 5.A O no hydrogen 2.891 N/A VAL 32.A N THR 76.A O no hydrogen 2.790 N/A ASN 33.A N ILE 7.A O no hydrogen 2.921 N/A ASN 33.A ND2 ASN 8.A OD1 no hydrogen 2.450 N/A ASN 33.A ND2 ILE 80.A O no hydrogen 3.145 N/A ASP 34.A N PHE 78.A O no hydrogen 2.990 N/A PHE 36.A N ASP 34.A OD1 no hydrogen 2.972 N/A MET 42.A N THR 38.A O no hydrogen 2.827 N/A THR 43.A N THR 39.A O no hydrogen 3.278 N/A THR 43.A N ASP 40.A O no hydrogen 3.159 N/A THR 43.A OG1 ASP 40.A O no hydrogen 2.560 N/A MET 45.A N TYR 41.A O no hydrogen 2.989 N/A PHE 46.A N MET 42.A O no hydrogen 3.018 N/A LYS 47.A N THR 43.A O no hydrogen 3.002 N/A TYR 48.A N TYR 44.A O no hydrogen 3.234 N/A VAL 51.A N ASP 49.A OD1 no hydrogen 3.010 N/A HIS 52.A N ASP 49.A OD1 no hydrogen 2.807 N/A HIS 52.A NE2 GLU 318.A OE1 no hydrogen 2.760 N/A GLY 53.A N ASP 49.A O no hydrogen 3.251 N/A TRP 55.A N LYS 47.A O no hydrogen 2.744 N/A TRP 55.A NE1 SER 58.A OG no hydrogen 2.988 N/A SER 58.A OG ASP 59.A O no hydrogen 3.495 N/A LYS 61.A N LEU 69.A O no hydrogen 3.001 N/A LYS 61.A NZ LEU 69.A O no hydrogen 3.094 N/A LYS 61.A NZ GLY 71.A O no hydrogen 3.220 N/A LYS 63.A N THR 67.A O no hydrogen 2.692 N/A ASP 64.A N THR 67.A O no hydrogen 3.407 N/A THR 67.A OG1 ASP 64.A OD1 no hydrogen 3.022 N/A LEU 68.A N VAL 75.A O no hydrogen 2.882 N/A LEU 69.A N LYS 61.A O no hydrogen 2.851 N/A LEU 70.A N LYS 73.A O no hydrogen 3.026 N/A LYS 73.A NZ LEU 29.A O no hydrogen 2.606 N/A VAL 75.A N LEU 68.A O no hydrogen 2.761 N/A THR 76.A N VAL 30.A O no hydrogen 3.044 N/A VAL 77.A N LYS 66.A O no hydrogen 2.784 N/A PHE 78.A N VAL 32.A O no hydrogen 2.622 N/A ILE 80.A N ASN 33.A OD1 no hydrogen 2.743 N/A GLU 85.A N ASN 82.A O no hydrogen 3.159 N/A ILE 86.A N PRO 83.A O no hydrogen 3.365 N/A TRP 88.A N ILE 86.A O no hydrogen 2.742 N/A TRP 88.A NE1 HIS 112.A ND1 no hydrogen 2.816 N/A ALA 89.A N GLY 115.A O no hydrogen 3.001 N/A GLU 90.A N PRO 87.A O no hydrogen 2.845 N/A ALA 91.A N TRP 88.A O no hydrogen 3.068 N/A GLY 92.A N TRP 88.A O no hydrogen 2.943 N/A GLY 92.A N ALA 89.A O no hydrogen 3.203 N/A ALA 93.A N TRP 88.A O no hydrogen 3.159 N/A GLU 94.A N LYS 4.A O no hydrogen 2.867 N/A TYR 95.A N LYS 4.A O no hydrogen 3.198 N/A VAL 96.A N LYS 119.A O no hydrogen 2.850 N/A VAL 97.A N GLY 6.A O no hydrogen 2.845 N/A GLU 98.A N VAL 121.A O no hydrogen 2.849 N/A SER 99.A N ASN 8.A O no hydrogen 2.887 N/A SER 99.A OG ASN 8.A O no hydrogen 2.746 N/A SER 99.A OG GLY 9.A O no hydrogen 2.738 N/A THR 100.A N GLU 98.A OE2 no hydrogen 2.879 N/A THR 100.A OG1 GLU 98.A OE2 no hydrogen 2.598 N/A VAL 102.A N THR 100.A OG1 no hydrogen 3.227 N/A LYS 106.A N ASP 128.A OD1 no hydrogen 2.955 N/A ALA 109.A N ASP 105.A O no hydrogen 2.990 N/A ALA 110.A N LYS 106.A O no hydrogen 3.089 N/A ALA 110.A N GLU 107.A O no hydrogen 3.089 N/A ALA 111.A N LYS 108.A O no hydrogen 3.419 N/A HIS 112.A N ALA 109.A O no hydrogen 3.340 N/A HIS 112.A NE2 GLU 98.A OE1 no hydrogen 2.838 N/A LEU 113.A N ALA 110.A O no hydrogen 2.911 N/A LYS 114.A N ALA 111.A O no hydrogen 3.015 N/A GLY 116.A N LEU 113.A O no hydrogen 2.853 N/A ALA 117.A N HIS 112.A O no hydrogen 3.248 N/A LYS 118.A N GLU 94.A O no hydrogen 2.777 N/A LYS 118.A NZ GLY 116.A O no hydrogen 2.861 N/A LYS 119.A N GLU 94.A O no hydrogen 3.050 N/A LYS 119.A NZ TYR 141.A OH no hydrogen 3.091 N/A LYS 119.A NZ SER 143.A O no hydrogen 2.663 N/A LYS 119.A NZ ILE 145.A O no hydrogen 2.727 N/A LYS 119.A NZ ASP 146.A OD1 no hydrogen 2.656 N/A VAL 120.A N ASP 146.A O no hydrogen 2.873 N/A VAL 121.A N VAL 96.A O no hydrogen 2.744 N/A ILE 122.A N VAL 148.A O no hydrogen 2.849 N/A SER 123.A N GLU 98.A O no hydrogen 2.978 N/A SER 123.A OG GLU 98.A O no hydrogen 3.177 N/A SER 126.A OG THR 104.A O no hydrogen 2.632 N/A SER 126.A OG ASP 128.A OD1 no hydrogen 3.393 N/A ASP 128.A N SER 126.A OG no hydrogen 3.339 N/A ALA 129.A N SER 126.A OG no hydrogen 2.989 N/A PHE 132.A N SER 149.A O no hydrogen 2.984 N/A VAL 133.A N ASN 137.A OD1 no hydrogen 2.913 N/A CYS 134.A SG ARG 324.A O no hydrogen 3.998 N/A GLY 135.A N GLU 138.A OE2 no hydrogen 2.691 N/A VAL 136.A N VAL 133.A O no hydrogen 3.033 N/A ASN 137.A N VAL 133.A O no hydrogen 3.133 N/A ASN 137.A ND2 MET 131.A O no hydrogen 3.262 N/A GLU 138.A N GLU 138.A OE2 no hydrogen 2.809 N/A LYS 140.A N ASN 137.A O no hydrogen 2.821 N/A TYR 141.A N GLU 138.A O no hydrogen 3.271 N/A TYR 141.A OH ILE 145.A O no hydrogen 3.232 N/A THR 142.A OG1 ASP 144.A OD2 no hydrogen 2.502 N/A SER 143.A OG GLN 336.A O no hydrogen 2.649 N/A ILE 145.A N THR 142.A O no hydrogen 2.975 N/A VAL 148.A N VAL 120.A O no hydrogen 3.130 N/A SER 149.A N PRO 130.A O no hydrogen 2.818 N/A SER 149.A OG ALA 124.A O no hydrogen 2.509 N/A ASN 150.A N ILE 122.A O no hydrogen 2.928 N/A ALA 151.A N SER 149.A OG no hydrogen 3.121 N/A SER 152.A OG THR 155.A OG1 no hydrogen 3.304 N/A THR 154.A OG1 TYR 315.A OH no hydrogen 2.905 N/A THR 155.A N SER 152.A OG no hydrogen 3.312 N/A THR 155.A OG1 SER 152.A OG no hydrogen 3.304 N/A THR 155.A OG1 ALA 214.A O no hydrogen 3.036 N/A ASN 156.A N SER 152.A O no hydrogen 3.111 N/A ASN 156.A ND2 ASN 150.A O no hydrogen 2.999 N/A ASN 156.A ND2 SER 152.A O no hydrogen 2.876 N/A CYS 157.A N CYS 153.A O no hydrogen 3.088 N/A CYS 157.A N THR 154.A O no hydrogen 3.156 N/A CYS 157.A SG SER 294.A OG no hydrogen 3.693 N/A CYS 157.A SG ALA 313.A O no hydrogen 3.546 N/A CYS 157.A SG TRP 314.A O no hydrogen 3.982 N/A LEU 158.A N THR 154.A O no hydrogen 2.908 N/A ALA 159.A N THR 155.A O no hydrogen 2.880 N/A ALA 162.A N LEU 158.A O no hydrogen 2.894 N/A LYS 163.A N ALA 159.A O no hydrogen 2.867 N/A LYS 163.A NZ VAL 136.A O no hydrogen 2.817 N/A VAL 164.A N PRO 160.A O no hydrogen 3.017 N/A ILE 165.A N LEU 161.A O no hydrogen 2.944 N/A HIS 166.A N ALA 162.A O no hydrogen 2.782 N/A HIS 166.A NE2 ASP 224.A OD1 no hydrogen 2.895 N/A ASP 167.A N LYS 163.A O no hydrogen 3.035 N/A ASN 168.A N VAL 164.A O no hydrogen 3.318 N/A ASN 168.A ND2 VAL 164.A O no hydrogen 2.787 N/A PHE 169.A N ILE 165.A O no hydrogen 2.734 N/A GLY 170.A N HIS 166.A O no hydrogen 2.831 N/A ILE 171.A N HIS 166.A ND1 no hydrogen 2.788 N/A ILE 172.A N ARG 249.A O no hydrogen 2.840 N/A GLY 174.A N LYS 228.A O no hydrogen 2.870 N/A LEU 175.A N THR 247.A O no hydrogen 2.994 N/A MET 176.A N THR 230.A O no hydrogen 2.770 N/A THR 177.A N ASP 245.A O no hydrogen 2.971 N/A THR 178.A N MET 232.A O no hydrogen 3.202 N/A THR 178.A OG1 VAL 243.A O no hydrogen 3.281 N/A THR 178.A OG1 TYR 315.A OH no hydrogen 2.834 N/A VAL 179.A N VAL 243.A O no hydrogen 2.875 N/A HIS 180.A N PHE 234.A O no hydrogen 2.926 N/A HIS 180.A ND1 ALA 181.A O no hydrogen 2.522 N/A ALA 181.A N SER 242.A OG no hydrogen 3.090 N/A ILE 182.A N THR 238.A O no hydrogen 2.948 N/A THR 183.A N GLN 186.A OE1 no hydrogen 3.223 N/A THR 183.A OG1 THR 185.A OG1 no hydrogen 3.329 N/A THR 185.A OG1 THR 183.A OG1 no hydrogen 3.329 N/A GLN 186.A N THR 183.A O no hydrogen 3.060 N/A LYS 187.A NZ PRO 192.A O no hydrogen 3.257 N/A GLY 191.A N GLY 200.A O no hydrogen 2.927 N/A SER 193.A OG ASP 196.A O no hydrogen 2.863 N/A ASP 196.A N SER 193.A O no hydrogen 3.092 N/A GLY 199.A N ASP 196.A OD2 no hydrogen 3.310 N/A GLY 200.A N TRP 197.A O no hydrogen 2.963 N/A ARG 201.A N ARG 198.A O no hydrogen 3.141 N/A ARG 201.A NE ASP 190.A OD1 no hydrogen 3.414 N/A ARG 201.A NE ASP 190.A OD2 no hydrogen 3.217 N/A ALA 202.A N ASP 190.A OD1 no hydrogen 2.746 N/A ALA 203.A N LYS 187.A O no hydrogen 2.852 N/A ILE 208.A N ARG 235.A O no hydrogen 2.880 N/A SER 210.A N SER 233.A O no hydrogen 2.756 N/A SER 210.A OG SER 211.A O no hydrogen 3.241 N/A ALA 214.A N THR 212.A OG1 no hydrogen 3.047 N/A ALA 217.A N GLY 213.A O no hydrogen 2.882 N/A VAL 218.A N ALA 215.A O no hydrogen 3.181 N/A GLY 219.A N LYS 216.A O no hydrogen 3.007 N/A LYS 220.A N ALA 217.A O no hydrogen 2.785 N/A VAL 221.A N VAL 218.A O no hydrogen 3.095 N/A LEU 222.A N VAL 218.A O no hydrogen 2.919 N/A LEU 225.A N LEU 222.A O no hydrogen 2.785 N/A ASN 226.A N PRO 223.A O no hydrogen 3.126 N/A LYS 228.A N LEU 225.A O no hydrogen 3.038 N/A LYS 228.A NZ ASP 224.A O no hydrogen 3.355 N/A THR 230.A N GLY 174.A O no hydrogen 3.400 N/A MET 232.A N MET 176.A O no hydrogen 2.931 N/A SER 233.A N SER 210.A O no hydrogen 2.846 N/A PHE 234.A N THR 178.A O no hydrogen 3.003 N/A ARG 235.A N ILE 208.A O no hydrogen 2.851 N/A ARG 235.A NH1 THR 183.A OG1 no hydrogen 2.749 N/A ARG 235.A NH1 GLN 186.A OE1 no hydrogen 2.774 N/A VAL 236.A N HIS 180.A O no hydrogen 2.834 N/A THR 238.A N VAL 236.A O no hydrogen 2.778 N/A SER 242.A N TYR 315.A O no hydrogen 2.813 N/A SER 242.A OG ASN 317.A OD1 no hydrogen 2.876 N/A VAL 243.A N VAL 179.A O no hydrogen 2.877 N/A VAL 244.A N ALA 313.A O no hydrogen 2.797 N/A ASP 245.A N THR 177.A O no hydrogen 2.682 N/A LEU 246.A N LEU 311.A O no hydrogen 2.737 N/A THR 247.A N LEU 175.A O no hydrogen 3.030 N/A VAL 248.A N VAL 309.A O no hydrogen 2.846 N/A ARG 249.A N GLU 173.A O no hydrogen 2.914 N/A ARG 249.A NE GLU 173.A OE2 no hydrogen 3.429 N/A ARG 249.A NH1 GLU 173.A OE2 no hydrogen 2.948 N/A ILE 250.A N ASN 307.A O no hydrogen 3.079 N/A GLU 251.A N GLY 170.A O no hydrogen 2.588 N/A LYS 252.A N PHE 169.A O no hydrogen 2.829 N/A ALA 254.A N ASP 306.A O no hydrogen 2.878 N/A TYR 256.A OH ALA 298.A O no hydrogen 2.549 N/A ALA 258.A N SER 255.A O no hydrogen 2.844 N/A ALA 258.A N SER 255.A OG no hydrogen 2.978 N/A ILE 259.A N SER 255.A O no hydrogen 3.084 N/A LYS 260.A N TYR 256.A O no hydrogen 2.931 N/A LYS 260.A NZ ASP 257.A OD1 no hydrogen 3.052 N/A SER 261.A N ASP 257.A O no hydrogen 2.941 N/A SER 261.A OG ASP 257.A O no hydrogen 3.428 N/A SER 261.A OG ALA 258.A O no hydrogen 2.838 N/A ALA 262.A N ALA 258.A O no hydrogen 3.010 N/A ILE 263.A N ILE 259.A O no hydrogen 3.074 N/A LYS 264.A N LYS 260.A O no hydrogen 2.861 N/A SER 265.A N SER 261.A O no hydrogen 3.002 N/A SER 265.A OG SER 261.A O no hydrogen 2.681 N/A ALA 266.A N ALA 262.A O no hydrogen 3.172 N/A SER 267.A N ILE 263.A O no hydrogen 2.902 N/A SER 267.A OG LYS 264.A O no hydrogen 2.799 N/A GLU 268.A N SER 265.A O no hydrogen 2.902 N/A GLY 269.A N ALA 266.A O no hydrogen 3.066 N/A LYS 272.A N GLY 269.A O no hydrogen 3.024 N/A LYS 272.A NZ GLU 268.A O no hydrogen 3.354 N/A ILE 274.A N LEU 271.A O no hydrogen 2.880 N/A ILE 275.A N LEU 271.A O no hydrogen 2.940 N/A GLY 276.A N SER 294.A O no hydrogen 2.582 N/A TYR 277.A OH GLU 279.A OE1 no hydrogen 2.886 N/A VAL 278.A N PHE 296.A O no hydrogen 3.003 N/A LEU 282.A N GLU 280.A O no hydrogen 2.971 N/A VAL 283.A N ASP 286.A OD2 no hydrogen 2.902 N/A ASP 286.A N VAL 283.A O no hydrogen 2.904 N/A PHE 287.A N SER 284.A O no hydrogen 2.888 N/A VAL 288.A N THR 285.A O no hydrogen 3.145 N/A GLY 289.A N ASP 316.A OD2 no hydrogen 2.821 N/A ASP 290.A N PHE 287.A O no hydrogen 3.102 N/A ARG 292.A N ASP 290.A OD1 no hydrogen 2.895 N/A ARG 292.A NE ASP 290.A OD1 no hydrogen 2.666 N/A ARG 292.A NE ASP 290.A OD2 no hydrogen 3.265 N/A ARG 292.A NH2 ASP 290.A OD2 no hydrogen 2.996 N/A SER 293.A N ILE 274.A O no hydrogen 2.764 N/A SER 294.A N ILE 274.A O no hydrogen 2.996 N/A SER 294.A OG CYS 157.A O no hydrogen 3.028 N/A ILE 295.A N TRP 314.A O no hydrogen 2.903 N/A PHE 296.A N GLY 276.A O no hydrogen 2.852 N/A ASP 297.A N VAL 312.A O no hydrogen 2.869 N/A ALA 298.A N VAL 278.A O no hydrogen 2.915 N/A LYS 299.A NZ ASP 281.A OD1 no hydrogen 2.903 N/A ALA 300.A N ASP 297.A O no hydrogen 3.296 N/A ALA 300.A N ASP 297.A OD1 no hydrogen 2.855 N/A ILE 302.A N LYS 310.A O no hydrogen 3.012 N/A LEU 304.A N PHE 308.A O no hydrogen 2.972 N/A ASN 305.A N PHE 308.A O no hydrogen 3.385 N/A ASN 307.A N ASN 305.A OD1 no hydrogen 2.818 N/A PHE 308.A N ASN 305.A O no hydrogen 3.293 N/A VAL 309.A N VAL 248.A O no hydrogen 3.067 N/A LYS 310.A N ILE 302.A O no hydrogen 2.844 N/A LYS 310.A NZ ASP 245.A OD1 no hydrogen 3.458 N/A LYS 310.A NZ ASP 245.A OD2 no hydrogen 2.766 N/A LYS 310.A NZ THR 247.A OG1 no hydrogen 2.797 N/A LEU 311.A N LEU 246.A O no hydrogen 2.685 N/A ALA 313.A N VAL 244.A O no hydrogen 2.959 N/A TRP 314.A N ILE 295.A O no hydrogen 2.805 N/A TRP 314.A NE1 ASP 297.A OD2 no hydrogen 2.828 N/A TYR 315.A N SER 242.A O no hydrogen 3.001 N/A TYR 315.A OH THR 154.A OG1 no hydrogen 2.905 N/A TYR 315.A OH THR 178.A OG1 no hydrogen 2.834 N/A GLU 318.A N ASP 316.A OD1 no hydrogen 3.053 N/A TRP 319.A N ASP 316.A OD1 no hydrogen 2.919 N/A GLY 320.A N ASP 316.A O no hydrogen 2.993 N/A TYR 321.A OH ALA 151.A O no hydrogen 2.622 N/A SER 322.A N GLU 318.A O no hydrogen 3.234 N/A SER 322.A OG GLU 318.A O no hydrogen 2.841 N/A ASN 323.A N TRP 319.A O no hydrogen 3.136 N/A ASN 323.A ND2 TRP 319.A O no hydrogen 2.956 N/A ARG 324.A N GLY 320.A O no hydrogen 3.102 N/A ARG 324.A NE ASP 327.A OD2 no hydrogen 2.798 N/A ARG 324.A NH1 SER 291.A O no hydrogen 2.779 N/A ARG 324.A NH1 SER 293.A OG no hydrogen 2.985 N/A ARG 324.A NH2 SER 291.A O no hydrogen 3.375 N/A ARG 324.A NH2 ASP 327.A OD2 no hydrogen 2.803 N/A VAL 325.A N TYR 321.A O no hydrogen 3.033 N/A ASP 327.A N ASN 323.A O no hydrogen 2.895 N/A LEU 328.A N ARG 324.A O no hydrogen 2.874 N/A ILE 329.A N VAL 325.A O no hydrogen 3.224 N/A ARG 330.A N ILE 326.A O no hydrogen 2.783 N/A ARG 330.A NH2 ASP 327.A OD1 no hydrogen 2.983 N/A HIS 331.A N ASP 327.A O no hydrogen 2.988 N/A MET 332.A N LEU 328.A O no hydrogen 2.872 N/A ALA 333.A N ILE 329.A O no hydrogen 2.931 N/A LYS 334.A N ARG 330.A O no hydrogen 3.251 N/A LYS 334.A N HIS 331.A O no hydrogen 3.095 N/A THR 335.A N MET 332.A O no hydrogen 3.068 N/A THR 335.A OG1 HIS 331.A O no hydrogen 2.735 N/A