Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pde_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 284.A OD1 no hydrogen 2.918 N/A SER 1.A OG PHE 283.A O no hydrogen 3.227 N/A SER 1.A OG THR 285.A OG1 no hydrogen 3.377 N/A ASN 4.A N SER 281.A OG no hydrogen 2.929 N/A ARG 6.A N ASN 4.A OD1 no hydrogen 2.795 N/A ARG 6.A NE ASP 275.A OD1 no hydrogen 2.820 N/A ARG 6.A NH2 THR 271.A O no hydrogen 3.285 N/A LEU 7.A N ASN 4.A O no hydrogen 2.970 N/A ILE 8.A N ASN 4.A O no hydrogen 3.209 N/A ALA 9.A N ALA 5.A O no hydrogen 3.046 N/A PHE 10.A N ARG 6.A O no hydrogen 3.009 N/A GLU 11.A N LEU 7.A O no hydrogen 2.914 N/A ASP 12.A N ILE 8.A O no hydrogen 2.948 N/A GLN 13.A N ALA 9.A O no hydrogen 3.040 N/A TRP 14.A N PHE 10.A O no hydrogen 2.922 N/A VAL 15.A N GLU 11.A O no hydrogen 2.943 N/A LEU 18.A N TRP 14.A O no hydrogen 2.763 N/A ASN 19.A N VAL 15.A O no hydrogen 2.978 N/A ALA 20.A N PRO 16.A O no hydrogen 3.017 N/A LEU 22.A N ASN 19.A O no hydrogen 3.084 N/A ALA 25.A N PRO 21.A O no hydrogen 3.070 N/A ILE 26.A N LEU 22.A O no hydrogen 3.006 N/A LEU 27.A N LYS 23.A O no hydrogen 3.096 N/A ALA 28.A N GLN 24.A O no hydrogen 2.847 N/A ASP 29.A N ALA 25.A O no hydrogen 3.197 N/A ASP 29.A N ILE 26.A O no hydrogen 3.227 N/A SER 30.A N LEU 27.A O no hydrogen 3.178 N/A SER 30.A OG ILE 26.A O no hydrogen 2.709 N/A LEU 35.A N ASP 32.A OD2 no hydrogen 2.961 N/A ALA 36.A N ASP 32.A O no hydrogen 2.908 N/A ALA 37.A N ALA 33.A O no hydrogen 2.890 N/A ALA 38.A N GLN 34.A O no hydrogen 2.851 N/A MET 39.A N LEU 35.A O no hydrogen 2.944 N/A THR 40.A N ALA 36.A O no hydrogen 2.981 N/A THR 40.A OG1 ALA 36.A O no hydrogen 2.760 N/A TYR 41.A N ALA 37.A O no hydrogen 2.931 N/A TYR 41.A OH PRO 104.A O no hydrogen 2.667 N/A VAL 43.A N MET 39.A O no hydrogen 3.271 N/A LEU 44.A N THR 40.A O no hydrogen 2.758 N/A ARG 49.A NE ASN 19.A OD1 no hydrogen 2.721 N/A ARG 49.A NH1 VAL 43.A O no hydrogen 3.202 N/A ARG 49.A NH1 GLU 79.A OE2 no hydrogen 2.768 N/A ARG 49.A NH2 ASN 19.A OD1 no hydrogen 3.355 N/A ARG 49.A NH2 VAL 43.A O no hydrogen 2.720 N/A LEU 53.A N ARG 49.A O no hydrogen 3.014 N/A LEU 54.A N LEU 50.A O no hydrogen 2.950 N/A THR 55.A N ARG 51.A O no hydrogen 3.193 N/A THR 55.A OG1 ARG 51.A O no hydrogen 3.376 N/A THR 55.A OG1 ALA 191.A O no hydrogen 2.702 N/A VAL 56.A N PRO 52.A O no hydrogen 3.026 N/A ALA 57.A N LEU 53.A O no hydrogen 2.872 N/A THR 58.A N LEU 54.A O no hydrogen 2.872 N/A THR 58.A OG1 LEU 54.A O no hydrogen 2.833 N/A MET 59.A N THR 55.A O no hydrogen 2.923 N/A GLN 60.A N VAL 56.A O no hydrogen 2.884 N/A SER 61.A N ALA 57.A O no hydrogen 3.002 N/A SER 61.A OG ALA 57.A O no hydrogen 3.556 N/A SER 61.A OG THR 58.A O no hydrogen 2.620 N/A SER 61.A OG TYR 209.A OH no hydrogen 2.722 N/A LEU 62.A N MET 59.A O no hydrogen 3.075 N/A GLY 63.A N GLN 60.A O no hydrogen 2.967 N/A VAL 64.A N MET 59.A O no hydrogen 3.108 N/A VAL 67.A N HIS 71.A ND1 no hydrogen 2.984 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.758 N/A ARG 70.A N VAL 67.A O no hydrogen 2.939 N/A HIS 71.A N VAL 67.A O no hydrogen 2.666 N/A TRP 72.A N PRO 68.A O no hydrogen 2.944 N/A TRP 72.A NE1 LEU 18.A O no hydrogen 2.824 N/A ARG 73.A NE ASP 29.A OD2 no hydrogen 3.390 N/A ARG 73.A NH2 ASP 29.A OD2 no hydrogen 3.029 N/A VAL 75.A N HIS 71.A O no hydrogen 2.938 N/A MET 76.A N TRP 72.A O no hydrogen 2.857 N/A ALA 77.A N ARG 73.A O no hydrogen 2.874 N/A LEU 80.A N MET 76.A O no hydrogen 3.028 N/A LEU 81.A N ALA 77.A O no hydrogen 3.010 N/A HIS 82.A N LEU 78.A O no hydrogen 2.872 N/A THR 83.A N GLU 79.A O no hydrogen 2.911 N/A THR 83.A OG1 GLU 79.A O no hydrogen 2.933 N/A TYR 84.A N LEU 80.A O no hydrogen 2.905 N/A SER 85.A N LEU 81.A O no hydrogen 3.055 N/A SER 85.A OG HIS 82.A O no hydrogen 2.676 N/A LEU 86.A N HIS 82.A O no hydrogen 3.285 N/A ILE 87.A N THR 83.A O no hydrogen 3.044 N/A HIS 88.A N TYR 84.A O no hydrogen 3.065 N/A HIS 88.A NE2 THR 116.A O no hydrogen 2.851 N/A ASP 89.A N SER 85.A O no hydrogen 2.976 N/A ASP 90.A N LEU 86.A O no hydrogen 3.097 N/A LEU 91.A N HIS 88.A O no hydrogen 3.313 N/A MET 94.A N LEU 91.A O no hydrogen 2.909 N/A ASP 95.A N ASP 89.A O no hydrogen 3.021 N/A ASN 96.A N LEU 91.A O no hydrogen 2.829 N/A ASP 97.A N ASP 90.A O no hydrogen 2.985 N/A ARG 100.A N GLU 103.A O no hydrogen 2.854 N/A ARG 100.A NE ASP 90.A OD2 no hydrogen 2.921 N/A ARG 100.A NH2 ASP 90.A OD1 no hydrogen 2.889 N/A ARG 101.A NH1 SER 42.A O no hydrogen 2.858 N/A ARG 101.A NH1 THR 83.A OG1 no hydrogen 3.048 N/A ARG 101.A NH2 GLU 79.A OE2 no hydrogen 3.035 N/A GLU 103.A N ARG 100.A O no hydrogen 3.068 N/A THR 105.A N ALA 98.A O no hydrogen 2.952 N/A THR 105.A OG1 ASP 97.A O no hydrogen 2.747 N/A THR 105.A OG1 HIS 107.A NE2 no hydrogen 2.990 N/A ASN 106.A ND2 ALA 38.A O no hydrogen 2.787 N/A ASN 106.A ND2 SER 42.A OG no hydrogen 2.880 N/A LYS 109.A N THR 105.A O no hydrogen 3.231 N/A PHE 110.A N ASN 106.A O no hydrogen 2.823 N/A GLY 111.A N HIS 107.A O no hydrogen 2.807 N/A ALA 115.A N GLY 111.A O no hydrogen 2.949 N/A THR 116.A N ALA 112.A O no hydrogen 3.003 N/A THR 116.A OG1 ALA 112.A O no hydrogen 2.795 N/A LEU 117.A N GLY 113.A O no hydrogen 3.101 N/A ALA 118.A N MET 114.A O no hydrogen 2.784 N/A GLY 119.A N ALA 115.A O no hydrogen 3.057 N/A ASP 120.A N THR 116.A O no hydrogen 3.002 N/A GLY 121.A N LEU 117.A O no hydrogen 2.779 N/A LEU 122.A N ALA 118.A O no hydrogen 2.982 N/A LEU 123.A N GLY 119.A O no hydrogen 2.986 N/A THR 124.A N ASP 120.A O no hydrogen 3.055 N/A THR 124.A OG1 ASP 120.A O no hydrogen 2.766 N/A LEU 125.A N GLY 121.A O no hydrogen 2.899 N/A ALA 126.A N LEU 122.A O no hydrogen 2.994 N/A PHE 127.A N THR 124.A O no hydrogen 2.981 N/A GLN 128.A N THR 124.A O no hydrogen 3.264 N/A TRP 129.A N LEU 125.A O no hydrogen 2.808 N/A TRP 129.A NE1 ASP 29.A OD2 no hydrogen 2.708 N/A LEU 130.A N ALA 126.A O no hydrogen 3.049 N/A THR 131.A N GLN 128.A O no hydrogen 3.161 N/A THR 131.A OG1 PHE 127.A O no hydrogen 3.051 N/A THR 131.A OG1 GLN 128.A O no hydrogen 3.286 N/A ALA 132.A N TRP 129.A O no hydrogen 3.328 N/A THR 133.A OG1 ARG 70.A O no hydrogen 2.701 N/A GLN 140.A N PRO 136.A O no hydrogen 2.956 N/A ALA 141.A N ALA 137.A O no hydrogen 2.864 N/A ALA 142.A N THR 138.A O no hydrogen 3.088 N/A LEU 143.A N MET 139.A O no hydrogen 2.993 N/A VAL 144.A N GLN 140.A O no hydrogen 3.073 N/A GLN 145.A N ALA 141.A O no hydrogen 2.904 N/A ALA 146.A N ALA 142.A O no hydrogen 2.933 N/A LEU 147.A N LEU 143.A O no hydrogen 2.800 N/A ALA 148.A N VAL 144.A O no hydrogen 2.901 N/A THR 149.A N GLN 145.A O no hydrogen 2.993 N/A THR 149.A OG1 GLN 145.A O no hydrogen 2.791 N/A ALA 150.A N ALA 146.A O no hydrogen 2.927 N/A ALA 151.A N LEU 147.A O no hydrogen 2.788 N/A GLY 155.A N GLY 152.A O no hydrogen 2.859 N/A MET 156.A N ALA 150.A O no hydrogen 2.840 N/A VAL 157.A N ALA 151.A O no hydrogen 3.319 N/A VAL 157.A N GLY 152.A O no hydrogen 3.145 N/A GLY 159.A N GLY 155.A O no hydrogen 2.973 N/A GLN 160.A N MET 156.A O no hydrogen 2.883 N/A GLN 160.A NE2 ASP 89.A OD1 no hydrogen 2.961 N/A ALA 161.A N VAL 157.A O no hydrogen 2.845 N/A LYS 162.A N ALA 158.A O no hydrogen 2.937 N/A ASP 163.A N GLY 159.A O no hydrogen 2.977 N/A ILE 164.A N GLN 160.A O no hydrogen 3.085 N/A GLN 165.A N ALA 161.A O no hydrogen 3.125 N/A GLN 165.A NE2 ALA 161.A O no hydrogen 3.153 N/A SER 166.A N ASP 163.A O no hydrogen 3.268 N/A SER 166.A OG LYS 162.A O no hydrogen 2.742 N/A GLU 167.A N ILE 164.A O no hydrogen 3.320 N/A HIS 168.A ND1 ASP 234.A OD2 no hydrogen 3.282 N/A VAL 169.A N SER 166.A O no hydrogen 3.045 N/A LEU 171.A N ASN 238.A OD1 no hydrogen 2.848 N/A LEU 176.A N PRO 172.A O no hydrogen 3.009 N/A ARG 177.A N LEU 173.A O no hydrogen 2.863 N/A LEU 179.A N GLN 175.A O no hydrogen 3.163 N/A HIS 180.A N LEU 176.A O no hydrogen 2.885 N/A LYS 181.A N ARG 177.A O no hydrogen 2.991 N/A GLU 182.A N VAL 178.A O no hydrogen 3.173 N/A LYS 183.A N LEU 179.A O no hydrogen 2.811 N/A LYS 183.A NZ ASP 163.A OD1.A no hydrogen 3.106 N/A LYS 183.A NZ ASP 163.A OD1.B no hydrogen 2.899 N/A THR 184.A N HIS 180.A O no hydrogen 2.964 N/A THR 184.A OG1 HIS 180.A O no hydrogen 3.181 N/A THR 184.A OG1 GLN 221.A OE1 no hydrogen 2.655 N/A GLY 185.A N HIS 180.A O no hydrogen 2.860 N/A HIS 189.A N GLY 185.A O no hydrogen 2.806 N/A HIS 189.A ND1 ASP 214.A OD1 no hydrogen 2.746 N/A TYR 190.A N ALA 186.A O no hydrogen 2.857 N/A ALA 191.A N LEU 187.A O no hydrogen 2.874 N/A GLN 193.A N HIS 189.A O no hydrogen 2.991 N/A ALA 194.A N TYR 190.A O no hydrogen 2.646 N/A LEU 196.A N VAL 192.A O no hydrogen 2.973 N/A ILE 197.A N GLN 193.A O no hydrogen 2.916 N/A LEU 198.A N ALA 194.A O no hydrogen 2.837 N/A GLY 199.A N GLY 195.A O no hydrogen 2.770 N/A GLN 200.A N ILE 197.A O no hydrogen 3.183 N/A ALA 201.A N LEU 196.A O no hydrogen 2.868 N/A GLN 205.A N PRO 202.A O no hydrogen 2.923 N/A TRP 206.A N GLU 203.A O no hydrogen 2.980 N/A TRP 206.A NE1 ALA 201.A O no hydrogen 2.929 N/A TYR 209.A N GLN 205.A O no hydrogen 3.235 N/A TYR 209.A OH SER 61.A OG no hydrogen 2.722 N/A LEU 210.A N TRP 206.A O no hydrogen 2.892 N/A GLN 211.A N PRO 207.A O no hydrogen 2.903 N/A PHE 212.A N ALA 208.A O no hydrogen 3.003 N/A ALA 213.A N TYR 209.A O no hydrogen 2.890 N/A ASP 214.A N LEU 210.A O no hydrogen 2.991 N/A ALA 215.A N GLN 211.A O no hydrogen 3.037 N/A PHE 216.A N PHE 212.A O no hydrogen 2.780 N/A GLY 217.A N ALA 213.A O no hydrogen 2.872 N/A LEU 218.A N ASP 214.A O no hydrogen 2.958 N/A ALA 219.A N ALA 215.A O no hydrogen 2.843 N/A PHE 220.A N PHE 216.A O no hydrogen 2.875 N/A GLN 221.A N GLY 217.A O no hydrogen 3.235 N/A GLN 221.A NE2 GLN 221.A O no hydrogen 3.246 N/A GLN 221.A NE2 ASP 225.A OD1 no hydrogen 3.094 N/A ILE 222.A N LEU 218.A O no hydrogen 2.987 N/A TYR 223.A N ALA 219.A O no hydrogen 2.857 N/A ASP 224.A N PHE 220.A O no hydrogen 2.938 N/A ASP 225.A N GLN 221.A O no hydrogen 2.931 N/A ILE 226.A N ILE 222.A O no hydrogen 2.873 N/A LEU 227.A N TYR 223.A O no hydrogen 2.743 N/A ASP 228.A N ASP 224.A O no hydrogen 2.960 N/A VAL 229.A N ASP 225.A O no hydrogen 3.426 N/A VAL 229.A N ILE 226.A O no hydrogen 3.122 N/A VAL 230.A N ILE 226.A O no hydrogen 3.003 N/A SER 231.A N LEU 227.A O no hydrogen 2.940 N/A LYS 237.A NZ GLY 242.A O no hydrogen 3.284 N/A ASN 238.A ND2 VAL 169.A O no hydrogen 2.754 N/A THR 239.A OG1 ALA 236.A O no hydrogen 2.809 N/A TYR 240.A N ASP 225.A OD2 no hydrogen 2.808 N/A GLY 242.A N THR 239.A OG1 no hydrogen 3.074 N/A LYS 243.A N THR 239.A O no hydrogen 2.973 N/A LYS 243.A N TYR 240.A O no hydrogen 3.237 N/A LYS 243.A NZ ASN 170.A OD1 no hydrogen 2.656 N/A LYS 243.A NZ LEU 171.A O no hydrogen 2.552 N/A LYS 243.A NZ LYS 237.A O no hydrogen 2.984 N/A LYS 243.A NZ ASN 238.A OD1 no hydrogen 2.832 N/A LEU 244.A N TYR 240.A O no hydrogen 2.866 N/A GLY 245.A N PRO 241.A O no hydrogen 2.883 N/A ALA 249.A N GLY 245.A O no hydrogen 2.870 N/A ASN 250.A N LEU 246.A O no hydrogen 2.923 N/A ASN 250.A ND2 THR 285.A O no hydrogen 2.987 N/A GLN 251.A N ILE 247.A O no hydrogen 2.862 N/A ALA 252.A N GLY 248.A O no hydrogen 3.014 N/A LEU 253.A N ALA 249.A O no hydrogen 2.961 N/A ILE 254.A N ASN 250.A O no hydrogen 2.980 N/A ASP 255.A N GLN 251.A O no hydrogen 2.990 N/A THR 256.A N ALA 252.A O no hydrogen 2.971 N/A THR 256.A OG1 ALA 252.A O no hydrogen 2.669 N/A ILE 257.A N LEU 253.A O no hydrogen 2.919 N/A HIS 258.A N ILE 254.A O no hydrogen 3.088 N/A SER 259.A N ASP 255.A O no hydrogen 2.931 N/A SER 259.A OG.B THR 256.A O no hydrogen 2.591 N/A GLY 260.A N THR 256.A O no hydrogen 2.976 N/A GLN 261.A N ILE 257.A O no hydrogen 3.014 N/A ALA 262.A N HIS 258.A O no hydrogen 2.850 N/A ALA 263.A N SER 259.A O no hydrogen 3.014 N/A LEU 264.A N GLY 260.A O no hydrogen 3.262 N/A GLN 265.A N GLN 261.A O no hydrogen 3.004 N/A GLY 266.A N ALA 263.A O no hydrogen 3.258 N/A LEU 267.A N LEU 264.A O no hydrogen 2.868 N/A ARG 273.A N SER 270.A OG no hydrogen 2.961 N/A ARG 273.A NE TYR 209.A OH no hydrogen 2.880 N/A ARG 273.A NH1 PRO 268.A O no hydrogen 2.813 N/A ARG 273.A NH2 TYR 209.A OH no hydrogen 3.280 N/A ASP 274.A N SER 270.A O no hydrogen 2.980 N/A ASP 275.A N THR 271.A O no hydrogen 2.932 N/A LEU 276.A N GLN 272.A O no hydrogen 3.071 N/A ALA 277.A N ARG 273.A O no hydrogen 2.828 N/A ALA 278.A N ASP 274.A O no hydrogen 2.971 N/A PHE 279.A N LEU 276.A O no hydrogen 3.056 N/A PHE 280.A N ALA 277.A O no hydrogen 3.223 N/A SER 281.A N ALA 278.A O no hydrogen 2.892 N/A SER 281.A OG ALA 278.A O no hydrogen 2.680 N/A TYR 282.A N PHE 279.A O no hydrogen 3.151 N/A TYR 282.A OH GLU 11.A OE1 no hydrogen 2.816 N/A PHE 283.A N PHE 280.A O no hydrogen 3.056 N/A THR 285.A N SER 1.A OG no hydrogen 3.113 N/A GLU 286.A N ASP 284.A OD1 no hydrogen 2.863 N/A ARG 287.A N ASP 284.A O no hydrogen 3.458 N/A ASN 289.A N GLU 286.A O no hydrogen 2.902 N/A ASN 289.A ND2 GLU 286.A O no hydrogen 3.619 N/A