Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bxp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N TRP 21.A O no hydrogen 2.812 N/A GLU 4.A N ALA 19.A O no hydrogen 2.793 N/A ARG 6.A N.A ILE 17.A O no hydrogen 3.074 N/A ARG 6.A N.B ILE 17.A O no hydrogen 3.070 N/A ARG 6.A NE.A GLU 4.A OE2 no hydrogen 3.295 N/A LEU 8.A N PHE 15.A O no hydrogen 2.800 N/A THR 10.A OG1 TYR 139.A OH no hydrogen 2.551 N/A HIS 13.A N THR 10.A O no hydrogen 2.800 N/A HIS 13.A ND1 ALA 11.A O no hydrogen 2.694 N/A PHE 15.A N LEU 8.A O no hydrogen 2.970 N/A ILE 17.A N ARG 6.A O.A no hydrogen 2.945 N/A ILE 17.A N ARG 6.A O.B no hydrogen 2.973 N/A THR 18.A N VAL 65.A O no hydrogen 3.084 N/A THR 18.A OG1 GLN 5.A OE1 no hydrogen 2.642 N/A ALA 19.A N GLU 4.A O no hydrogen 2.751 N/A TYR 20.A N THR 63.A O no hydrogen 2.739 N/A TRP 21.A N GLN 2.A O no hydrogen 2.881 N/A TRP 21.A NE1 GLU 4.A OE1 no hydrogen 2.818 N/A LEU 22.A N HIS 62.A ND1 no hydrogen 2.939 N/A ASP 23.A N GLY 1.A O no hydrogen 2.829 N/A GLU 29.A N ASP 27.A OD1 no hydrogen 3.061 N/A TYR 34.A N HIS 100.A O no hydrogen 2.930 N/A ILE 36.A N ARG 105.A O no hydrogen 3.169 N/A ILE 38.A N VAL 64.A O no hydrogen 2.736 N/A CYS 39.A N ALA 109.A O no hydrogen 2.722 N/A GLY 41.A N GLU 52.A OE2 no hydrogen 2.832 N/A THR 45.A N GLY 42.A O no hydrogen 2.871 N/A THR 45.A OG1 GLY 42.A O no hydrogen 3.251 N/A TYR 46.A N GLY 42.A O no hydrogen 3.033 N/A HIS 47.A NE2 TYR 68.A O no hydrogen 2.573 N/A SER 48.A N GLY 41.A O no hydrogen 2.920 N/A SER 48.A OG GLU 51.A OE1 no hydrogen 3.198 N/A SER 48.A OG GLU 52.A OE1 no hydrogen 2.852 N/A SER 48.A OG GLU 52.A OE2 no hydrogen 3.306 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.610 N/A ALA 53.A N GLY 49.A O no hydrogen 2.969 N/A ILE 55.A N GLU 51.A O no hydrogen 3.436 N/A ALA 56.A N GLU 52.A O no hydrogen 2.843 N/A THR 57.A N ALA 53.A O no hydrogen 3.005 N/A THR 57.A OG1 ALA 53.A O no hydrogen 2.984 N/A ARG 58.A N PRO 54.A O no hydrogen 2.862 N/A ARG 58.A NH1 ARG 58.A O no hydrogen 2.813 N/A HIS 62.A N PRO 35.A O no hydrogen 2.882 N/A HIS 62.A NE2 HIS 100.A O no hydrogen 3.116 N/A THR 63.A N TYR 20.A O no hydrogen 3.066 N/A VAL 65.A N THR 18.A O no hydrogen 2.772 N/A LEU 66.A N ILE 38.A O no hydrogen 2.896 N/A ASN 67.A N GLN 16.A O no hydrogen 2.916 N/A TYR 68.A OH PRO 40.A O no hydrogen 2.725 N/A GLN 69.A N GLN 84.A OE1 no hydrogen 2.790 N/A GLN 69.A NE2 LEU 70.A O no hydrogen 2.949 N/A ILE 71.A N PHE 44.A O no hydrogen 3.070 N/A GLN 75.A N ILE 71.A O no hydrogen 3.067 N/A GLN 75.A NE2 VAL 72.A O no hydrogen 2.766 N/A SER 76.A OG GLN 168.A O no hydrogen 2.792 N/A VAL 77.A N ILE 169.A O no hydrogen 2.979 N/A TYR 78.A N ILE 169.A O no hydrogen 3.416 N/A TYR 78.A OH HIS 116.A ND1 no hydrogen 2.665 N/A ALA 81.A N VAL 77.A O no hydrogen 2.812 N/A LEU 82.A N PRO 79.A O no hydrogen 2.992 N/A GLN 83.A N PRO 79.A O no hydrogen 3.308 N/A GLN 83.A NE2 TYR 134.A O no hydrogen 2.908 N/A GLN 84.A N TRP 80.A O no hydrogen 2.845 N/A GLN 84.A NE2 HIS 13.A O no hydrogen 2.973 N/A GLN 84.A NE2 GLN 69.A OE1 no hydrogen 3.590 N/A LEU 85.A N ALA 81.A O no hydrogen 2.888 N/A GLY 86.A N LEU 82.A O no hydrogen 2.954 N/A ALA 87.A N GLN 83.A O no hydrogen 2.750 N/A THR 88.A N GLN 84.A O no hydrogen 2.826 N/A THR 88.A OG1 GLN 84.A O no hydrogen 2.914 N/A ILE 89.A N LEU 85.A O no hydrogen 2.990 N/A ASP 90.A N GLY 86.A O no hydrogen 3.022 N/A TRP 91.A N ALA 87.A O no hydrogen 2.830 N/A ILE 92.A N THR 88.A O no hydrogen 2.856 N/A THR 93.A N ILE 89.A O no hydrogen 3.043 N/A THR 93.A OG1 ASP 90.A O no hydrogen 2.686 N/A THR 94.A N ASP 90.A O no hydrogen 3.185 N/A THR 94.A OG1 TRP 91.A O no hydrogen 2.669 N/A GLN 95.A N TRP 91.A O no hydrogen 3.101 N/A GLN 95.A N ILE 92.A O no hydrogen 2.947 N/A GLN 95.A NE2 THR 94.A OG1 no hydrogen 3.039 N/A ALA 96.A N THR 93.A O no hydrogen 3.261 N/A HIS 99.A N GLN 95.A O no hydrogen 3.185 N/A VAL 101.A N ALA 96.A O no hydrogen 3.079 N/A ASP 102.A N TYR 34.A O no hydrogen 2.850 N/A CYS 103.A SG VAL 101.A O no hydrogen 3.993 N/A GLN 104.A N ASP 102.A OD1 no hydrogen 2.902 N/A ARG 105.A N ASP 102.A O no hydrogen 3.038 N/A ARG 105.A NE GLY 249.A O no hydrogen 2.797 N/A ARG 105.A NH1 ASP 102.A OD2 no hydrogen 2.857 N/A ARG 105.A NH2 GLY 249.A O no hydrogen 2.918 N/A ILE 107.A N ILE 36.A O no hydrogen 2.843 N/A LEU 108.A N ALA 145.A O no hydrogen 2.942 N/A ALA 109.A N ILE 37.A O no hydrogen 2.777 N/A GLY 110.A N ILE 147.A O.A no hydrogen 2.905 N/A GLY 110.A N ILE 147.A O.B no hydrogen 2.933 N/A PHE 111.A N CYS 39.A O no hydrogen 3.103 N/A SER 112.A N.A GLY 149.A O no hydrogen 2.925 N/A SER 112.A N.B GLY 149.A O no hydrogen 2.950 N/A SER 112.A OG.A SER 199.A OG no hydrogen 3.257 N/A GLY 114.A N PHE 111.A O no hydrogen 2.800 N/A GLY 115.A N PHE 111.A O no hydrogen 3.343 N/A GLY 115.A N SER 112.A O.A no hydrogen 2.962 N/A GLY 115.A N SER 112.A O.B no hydrogen 2.640 N/A HIS 116.A N SER 112.A O.A no hydrogen 3.345 N/A HIS 116.A N SER 112.A O.B no hydrogen 3.292 N/A HIS 116.A N ALA 113.A O no hydrogen 3.051 N/A HIS 116.A ND1 TYR 78.A OH no hydrogen 2.665 N/A HIS 116.A NE2 TRP 176.A O no hydrogen 3.126 N/A VAL 117.A N ALA 113.A O no hydrogen 3.401 N/A VAL 118.A N GLY 114.A O no hydrogen 2.937 N/A ALA 119.A N GLY 115.A O no hydrogen 2.867 N/A THR 120.A N HIS 116.A O no hydrogen 2.949 N/A THR 120.A OG1 HIS 116.A O no hydrogen 2.658 N/A TYR 121.A N VAL 117.A O no hydrogen 2.858 N/A ASN 122.A N VAL 118.A O no hydrogen 2.871 N/A ASN 122.A ND2 LYS 187.A O no hydrogen 2.900 N/A ASN 122.A ND2 TYR 208.A OH no hydrogen 2.956 N/A GLY 123.A N THR 120.A O no hydrogen 3.083 N/A VAL 124.A N THR 120.A O no hydrogen 2.891 N/A ALA 125.A N TYR 121.A O no hydrogen 2.863 N/A THR 126.A OG1 ASN 122.A O no hydrogen 2.651 N/A THR 126.A OG1 GLY 123.A O no hydrogen 3.251 N/A GLN 127.A N VAL 124.A O no hydrogen 3.324 N/A GLN 127.A NE2 GLY 123.A O no hydrogen 2.825 N/A LEU 130.A N GLN 127.A O no hydrogen 2.868 N/A ARG 131.A N GLN 127.A O no hydrogen 2.899 N/A ARG 131.A NH1 ALA 125.A O no hydrogen 2.914 N/A ARG 131.A NH2 LEU 136.A O no hydrogen 2.751 N/A THR 132.A N PRO 128.A O no hydrogen 3.048 N/A THR 132.A OG1 PRO 128.A O no hydrogen 3.121 N/A THR 132.A OG1 ASP 137.A OD1.A no hydrogen 3.460 N/A THR 132.A OG1 ASP 137.A OD2.A no hydrogen 2.430 N/A ARG 133.A N GLU 129.A O no hydrogen 3.096 N/A TYR 134.A N LEU 130.A O no hydrogen 3.020 N/A TYR 134.A OH ASP 172.A OD2 no hydrogen 2.605 N/A HIS 135.A N THR 132.A O no hydrogen 3.247 N/A LEU 136.A N ARG 131.A O no hydrogen 2.811 N/A TYR 139.A N LEU 136.A O no hydrogen 3.007 N/A TYR 139.A OH THR 10.A OG1 no hydrogen 2.551 N/A GLN 140.A N ASP 90.A OD2 no hydrogen 2.612 N/A GLN 142.A NE2 ALA 125.A O no hydrogen 2.940 N/A HIS 143.A NE2 ASN 122.A OD1 no hydrogen 2.752 N/A ALA 144.A N ILE 106.A O no hydrogen 2.813 N/A ILE 146.A N PRO 188.A O no hydrogen 2.729 N/A ILE 147.A N.A LEU 108.A O no hydrogen 2.709 N/A ILE 147.A N.B LEU 108.A O no hydrogen 2.745 N/A LEU 148.A N PHE 190.A O no hydrogen 2.876 N/A GLY 149.A N GLY 110.A O no hydrogen 2.845 N/A TYR 150.A N TRP 192.A O no hydrogen 2.894 N/A VAL 152.A N SER 112.A O.A no hydrogen 2.870 N/A VAL 152.A N SER 112.A O.B no hydrogen 3.194 N/A ILE 153.A N ASN 204.A OD1 no hydrogen 2.936 N/A ASP 154.A N ASN 204.A OD1 no hydrogen 3.009 N/A LEU 155.A N TRP 176.A O no hydrogen 2.778 N/A THR 156.A N ASP 154.A OD1 no hydrogen 2.997 N/A THR 156.A OG1 ASP 154.A OD1 no hydrogen 2.733 N/A ALA 157.A N ASP 154.A O no hydrogen 2.848 N/A ARG 166.A N THR 162.A O no hydrogen 2.982 N/A ARG 166.A NE LEU 155.A O no hydrogen 3.016 N/A ASN 167.A N.A SER 163.A O.A no hydrogen 2.928 N/A ASN 167.A N.A SER 163.A O.B no hydrogen 2.889 N/A ASN 167.A N.B SER 163.A O.A no hydrogen 2.953 N/A ASN 167.A N.B SER 163.A O.B no hydrogen 2.914 N/A ASN 167.A ND2.B SER 163.A O.A no hydrogen 2.738 N/A ASN 167.A ND2.B SER 163.A O.B no hydrogen 2.807 N/A GLN 168.A N ALA 164.A O no hydrogen 3.035 N/A GLN 168.A NE2 ASP 74.A OD1 no hydrogen 2.876 N/A GLN 168.A NE2 GLN 75.A O no hydrogen 2.863 N/A ILE 169.A N ALA 165.A O no hydrogen 3.269 N/A THR 170.A N ARG 166.A O no hydrogen 3.021 N/A ASP 172.A N THR 170.A OG1 no hydrogen 2.919 N/A ARG 174.A N ASP 172.A OD1 no hydrogen 3.086 N/A ARG 174.A NE ASP 172.A OD1 no hydrogen 2.803 N/A ARG 174.A NH2 ASP 172.A OD1 no hydrogen 3.547 N/A ARG 174.A NH2 ASP 172.A OD2 no hydrogen 2.993 N/A LEU 175.A N ASP 172.A O no hydrogen 2.948 N/A TRP 176.A N ALA 173.A O no hydrogen 3.175 N/A TRP 176.A NE1 THR 170.A O no hydrogen 2.844 N/A ALA 178.A N ILE 153.A O no hydrogen 2.842 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.799 N/A GLN 179.A NE2 ASP 154.A OD2 no hydrogen 2.895 N/A ARG 180.A N ALA 177.A O no hydrogen 3.042 N/A LEU 181.A N ALA 178.A O no hydrogen 3.098 N/A VAL 182.A N GLN 179.A O no hydrogen 3.412 N/A THR 183.A N SER 186.A OG no hydrogen 3.180 N/A ALA 185.A N THR 183.A OG1 no hydrogen 3.017 N/A SER 186.A N THR 183.A O no hydrogen 3.016 N/A SER 186.A OG THR 183.A O no hydrogen 3.293 N/A LYS 187.A N ASN 122.A OD1 no hydrogen 2.915 N/A ALA 189.A N ALA 217.A O no hydrogen 3.052 N/A PHE 190.A N ILE 146.A O no hydrogen 3.029 N/A VAL 191.A N ALA 219.A O no hydrogen 2.830 N/A TRP 192.A N LEU 148.A O no hydrogen 2.974 N/A GLN 193.A N HIS 221.A O no hydrogen 2.889 N/A THR 194.A N ASP 197.A OD2 no hydrogen 2.722 N/A THR 194.A OG1 THR 196.A OG1 no hydrogen 3.269 N/A THR 194.A OG1 ASP 197.A OD2 no hydrogen 2.870 N/A ALA 195.A N GLN 233.A OE1 no hydrogen 2.931 N/A THR 196.A OG1 THR 194.A OG1 no hydrogen 3.269 N/A ASP 197.A N THR 194.A O no hydrogen 3.073 N/A SER 199.A OG SER 112.A OG.A no hydrogen 3.257 N/A SER 199.A OG TYR 150.A O no hydrogen 2.701 N/A ASN 204.A N PRO 201.A O no hydrogen 3.033 N/A ASN 204.A ND2 ALA 157.A O no hydrogen 3.165 N/A ASN 204.A ND2 PRO 201.A O no hydrogen 2.928 N/A LEU 206.A N PRO 202.A O no hydrogen 3.015 N/A LYS 207.A N ILE 203.A O no hydrogen 2.859 N/A TYR 208.A N ASN 204.A O no hydrogen 3.287 N/A VAL 209.A N SER 205.A O no hydrogen 2.887 N/A GLN 210.A N LEU 206.A O no hydrogen 2.894 N/A GLN 210.A NE2 GLN 213.A OE1.A no hydrogen 3.023 N/A ALA 211.A N LYS 207.A O no hydrogen 3.260 N/A GLN 213.A N.A GLN 210.A O no hydrogen 2.856 N/A GLN 213.A N.B GLN 210.A O no hydrogen 2.857 N/A HIS 214.A N ALA 211.A O no hydrogen 3.185 N/A GLN 215.A N LEU 212.A O no hydrogen 2.939 N/A THR 218.A OG1 ALA 189.A O no hydrogen 2.898 N/A ALA 219.A N ALA 189.A O no hydrogen 3.037 N/A HIS 221.A N VAL 191.A O no hydrogen 2.870 N/A PHE 223.A N GLN 193.A O no hydrogen 2.868 N/A ASN 231.A N ASP 227.A O no hydrogen 2.412 N/A ASP 232.A N LYS 228.A O no hydrogen 2.951 N/A GLN 233.A N TYR 229.A O no hydrogen 3.198 N/A ALA 234.A N ASN 231.A O no hydrogen 3.071 N/A ALA 235.A N ASN 231.A O no hydrogen 3.338 N/A ALA 235.A N ASP 232.A O no hydrogen 3.027 N/A ILE 236.A N ASP 232.A O no hydrogen 2.890 N/A ILE 236.A N GLN 233.A O no hydrogen 3.208 N/A TRP 237.A N GLN 233.A O no hydrogen 3.054 N/A GLN 239.A N ILE 236.A O no hydrogen 3.052 N/A LEU 240.A N ILE 236.A O no hydrogen 3.323 N/A ALA 241.A N TRP 237.A O no hydrogen 2.907 N/A LEU 242.A N PRO 238.A O no hydrogen 2.814 N/A ARG 243.A N.A GLN 239.A O no hydrogen 3.036 N/A ARG 243.A N.B GLN 239.A O no hydrogen 3.054 N/A TRP 244.A N LEU 240.A O no hydrogen 2.890 N/A LEU 245.A N ALA 241.A O no hydrogen 2.917 N/A GLN 246.A N LEU 242.A O no hydrogen 2.904 N/A GLU 247.A N ARG 243.A O.A no hydrogen 2.854 N/A GLU 247.A N ARG 243.A O.B no hydrogen 2.897 N/A GLN 248.A N TRP 244.A O no hydrogen 2.924 N/A GLY 249.A N GLN 246.A O no hydrogen 2.991 N/A LEU 250.A N LEU 245.A O no hydrogen 2.835 N/A