Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wt1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLY 1.A O no hydrogen 2.915 N/A GLY 5.A N GLY 2.A O no hydrogen 2.942 N/A ARG 6.A N GLY 1.A O no hydrogen 3.207 N/A LEU 11.A N ALA 124.A O no hydrogen 2.895 N/A LEU 13.A N THR 122.A O no hydrogen 2.865 N/A GLY 16.A N LEU 13.A O no hydrogen 2.845 N/A GLY 20.A N ILE 97.A O no hydrogen 2.798 N/A ALA 21.A N PRO 18.A O no hydrogen 3.096 N/A SER 22.A N TYR 138.A O no hydrogen 2.962 N/A ILE 23.A N ILE 95.A O no hydrogen 2.804 N/A VAL 24.A N THR 136.A O no hydrogen 2.802 N/A LEU 25.A N LEU 93.A O no hydrogen 2.814 N/A GLU 26.A N ARG 134.A O no hydrogen 2.986 N/A GLY 27.A N PHE 91.A O no hydrogen 3.292 N/A THR 28.A N VAL 131.A O no hydrogen 3.002 N/A THR 30.A N ASP 129.A O no hydrogen 3.159 N/A THR 30.A OG1 ASP 129.A O no hydrogen 3.454 N/A ALA 33.A N THR 30.A O no hydrogen 3.170 N/A VAL 34.A N ASP 129.A OD2 no hydrogen 2.770 N/A PHE 35.A N ASP 129.A OD2 no hydrogen 3.226 N/A PHE 36.A N VAL 53.A O no hydrogen 3.098 N/A THR 37.A N SER 127.A O no hydrogen 2.860 N/A LEU 38.A N PHE 51.A O no hydrogen 2.879 N/A ASP 39.A N SER 125.A O no hydrogen 2.844 N/A LEU 40.A N LEU 49.A O no hydrogen 2.712 N/A VAL 41.A N ARG 123.A O no hydrogen 2.855 N/A THR 42.A N SER 46.A O no hydrogen 2.941 N/A THR 42.A OG1 GLN 119.A O no hydrogen 2.632 N/A THR 42.A OG1 GLY 120.A O no hydrogen 2.537 N/A LEU 47.A N ARG 68.A O no hydrogen 2.780 N/A ALA 48.A N LEU 40.A O no hydrogen 2.859 N/A LEU 49.A N LEU 40.A O no hydrogen 3.307 N/A HIS 50.A N ASN 66.A O no hydrogen 2.750 N/A HIS 50.A ND1 ASP 39.A OD1 no hydrogen 2.651 N/A PHE 51.A N LEU 38.A O no hydrogen 2.860 N/A ASN 52.A N VAL 64.A O no hydrogen 2.887 N/A ASN 52.A ND2 PHE 36.A O no hydrogen 3.441 N/A VAL 53.A N PHE 36.A O no hydrogen 2.788 N/A ARG 54.A N HIS 62.A O no hydrogen 2.688 N/A ARG 54.A NE ASN 52.A OD1 no hydrogen 2.726 N/A ARG 54.A NH2 ASN 52.A OD1 no hydrogen 3.317 N/A LEU 55.A N VAL 34.A O no hydrogen 2.796 N/A HIS 62.A N ARG 54.A O no hydrogen 2.709 N/A VAL 64.A N ASN 52.A O no hydrogen 2.754 N/A CYS 65.A N VAL 78.A O no hydrogen 2.802 N/A ASN 66.A N HIS 50.A O no hydrogen 2.994 N/A ASN 66.A ND2 GLY 75.A O no hydrogen 3.336 N/A SER 67.A N ASN 66.A OD1 no hydrogen 2.914 N/A ARG 68.A N LEU 47.A O no hydrogen 2.806 N/A ARG 68.A NE GLY 70.A O no hydrogen 2.777 N/A ARG 68.A NH2 ALA 45.A O no hydrogen 3.131 N/A GLU 69.A N ASN 73.A O no hydrogen 2.972 N/A GLY 70.A N SER 46.A OG no hydrogen 3.140 N/A ASN 73.A N GLU 69.A O no hydrogen 3.204 N/A TRP 74.A N SER 72.A O no hydrogen 2.605 N/A GLY 75.A N SER 67.A O no hydrogen 2.991 N/A VAL 78.A N CYS 65.A O no hydrogen 2.852 N/A ARG 79.A NE GLU 77.A OE2 no hydrogen 3.021 N/A ARG 79.A NH2 GLU 77.A OE2 no hydrogen 2.923 N/A ARG 87.A NE ALA 33.A O no hydrogen 2.724 N/A ARG 87.A NH2 ALA 33.A O no hydrogen 3.037 N/A ARG 87.A NH2 PRO 56.A O no hydrogen 3.222 N/A GLU 88.A N LEU 29.A O no hydrogen 2.785 N/A LYS 89.A N GLU 86.A O no hydrogen 3.032 N/A PHE 91.A N GLY 27.A O no hydrogen 2.860 N/A VAL 92.A N ASN 107.A OD1 no hydrogen 2.818 N/A LEU 93.A N LEU 25.A O no hydrogen 2.763 N/A VAL 94.A N THR 105.A O no hydrogen 2.812 N/A ILE 95.A N ILE 23.A O no hydrogen 2.851 N/A VAL 96.A N GLN 103.A O no hydrogen 2.834 N/A ILE 97.A N ALA 21.A O no hydrogen 2.924 N/A GLN 98.A N THR 101.A O no hydrogen 3.042 N/A GLN 98.A NE2 GLN 103.A OE1 no hydrogen 3.009 N/A THR 101.A OG1 PHE 114.A O no hydrogen 3.340 N/A TYR 102.A N PHE 114.A O no hydrogen 2.769 N/A GLN 103.A N VAL 96.A O no hydrogen 2.892 N/A ILE 104.A N VAL 112.A O no hydrogen 2.864 N/A THR 105.A N VAL 94.A O no hydrogen 2.793 N/A VAL 106.A N LYS 109.A O no hydrogen 2.928 N/A ASN 107.A N VAL 92.A O no hydrogen 2.904 N/A LYS 109.A N VAL 106.A O no hydrogen 2.966 N/A LEU 111.A N ILE 104.A O no hydrogen 2.773 N/A VAL 112.A N ILE 104.A O no hydrogen 3.363 N/A PHE 114.A N TYR 102.A O no hydrogen 2.882 N/A GLN 116.A N ASP 100.A O no hydrogen 3.190 N/A ARG 117.A NH1 ASN 66.A OD1 no hydrogen 2.955 N/A ARG 117.A NH1 SER 67.A OG no hydrogen 3.106 N/A ARG 117.A NH1 GLU 76.A O no hydrogen 2.572 N/A ARG 117.A NH2 GLU 76.A O no hydrogen 2.670 N/A THR 122.A N VAL 41.A O no hydrogen 2.752 N/A THR 122.A OG1 VAL 41.A O no hydrogen 3.456 N/A ARG 123.A N VAL 41.A O no hydrogen 3.366 N/A ARG 123.A NH1 GLU 188.A OE2 no hydrogen 2.667 N/A ALA 124.A N LEU 11.A O no hydrogen 2.861 N/A SER 125.A N ASP 39.A O no hydrogen 2.816 N/A SER 125.A OG GLU 188.A OE1 no hydrogen 2.538 N/A LEU 126.A N PHE 9.A O no hydrogen 2.757 N/A SER 127.A N THR 37.A O no hydrogen 2.961 N/A ASP 129.A N PHE 35.A O no hydrogen 2.959 N/A VAL 131.A N THR 28.A O no hydrogen 2.898 N/A THR 133.A OG1 PRO 8.A O no hydrogen 2.655 N/A ARG 134.A N GLU 26.A O no hydrogen 2.991 N/A ARG 134.A NE GLU 26.A OE1 no hydrogen 3.270 N/A ARG 134.A NH1 GLU 26.A OE1 no hydrogen 3.427 N/A ARG 134.A NH1 GLU 26.A OE2 no hydrogen 3.107 N/A LEU 135.A N ILE 7.A O no hydrogen 2.967 N/A THR 136.A N VAL 24.A O no hydrogen 2.967 N/A TYR 138.A N SER 22.A O no hydrogen 2.862 N/A ARG 144.A N ASP 142.A OD1 no hydrogen 3.127 N/A THR 146.A N PRO 143.A O no hydrogen 2.877 N/A THR 146.A OG1 PRO 143.A O no hydrogen 2.489 N/A THR 147.A N ARG 144.A O no hydrogen 3.101 N/A THR 147.A OG1 ARG 144.A O no hydrogen 3.170 N/A ALA 154.A N ASP 157.A OD2 no hydrogen 2.775 N/A TYR 163.A OH LEU 130.A O no hydrogen 2.570 N/A LEU 165.A N VAL 284.A O no hydrogen 2.898 N/A ASN 166.A ND2 LYS 282.A O no hydrogen 2.849 N/A LEU 167.A N LYS 282.A O no hydrogen 2.674 N/A GLY 170.A N LEU 167.A O no hydrogen 2.880 N/A LEU 171.A N LEU 278.A O no hydrogen 2.926 N/A THR 172.A N THR 175.A OG1 no hydrogen 3.206 N/A THR 172.A OG1 PRO 173.A O no hydrogen 3.560 N/A THR 172.A OG1 THR 175.A OG1 no hydrogen 2.897 N/A ARG 174.A N THR 254.A O no hydrogen 2.707 N/A THR 175.A N THR 172.A O no hydrogen 2.923 N/A THR 175.A OG1 THR 172.A O no hydrogen 2.845 N/A THR 175.A OG1 THR 172.A OG1 no hydrogen 2.897 N/A LEU 176.A N GLN 298.A O no hydrogen 3.036 N/A LEU 177.A N ILE 252.A O no hydrogen 2.854 N/A THR 178.A N GLU 296.A O no hydrogen 2.949 N/A VAL 179.A N LEU 250.A O no hydrogen 2.692 N/A THR 180.A N HIS 294.A O no hydrogen 2.806 N/A THR 180.A OG1 HIS 294.A O no hydrogen 3.128 N/A GLY 181.A N PHE 248.A O no hydrogen 3.411 N/A THR 182.A N VAL 291.A O no hydrogen 2.805 N/A THR 184.A N HIS 289.A O no hydrogen 3.023 N/A ALA 187.A N THR 184.A O no hydrogen 2.984 N/A GLU 188.A N HIS 289.A ND1 no hydrogen 2.928 N/A PHE 190.A N VAL 211.A O no hydrogen 2.901 N/A ILE 191.A N PHE 287.A O no hydrogen 2.827 N/A VAL 192.A N PHE 209.A O no hydrogen 2.944 N/A ASN 193.A N HIS 285.A O no hydrogen 2.882 N/A LEU 194.A N LEU 207.A O no hydrogen 2.848 N/A VAL 195.A N TYR 283.A O no hydrogen 2.905 N/A TYR 196.A N ASN 204.A O no hydrogen 3.000 N/A ASP 201.A N HIS 199.A ND1 no hydrogen 2.823 N/A SER 202.A OG ASP 197.A O no hydrogen 3.106 N/A SER 202.A OG ASN 204.A O no hydrogen 3.481 N/A LYS 203.A NZ ASP 201.A O no hydrogen 3.264 N/A LYS 203.A NZ ASP 201.A OD2 no hydrogen 3.423 N/A VAL 205.A N ARG 226.A O no hydrogen 2.909 N/A ALA 206.A N LEU 194.A O no hydrogen 2.752 N/A LEU 207.A N LEU 194.A O no hydrogen 3.368 N/A HIS 208.A N ASN 224.A O no hydrogen 2.771 N/A HIS 208.A ND1 ASN 193.A OD1 no hydrogen 2.702 N/A PHE 209.A N VAL 192.A O no hydrogen 2.849 N/A ASN 210.A N ALA 222.A O no hydrogen 2.948 N/A ASN 210.A ND2 HIS 208.A NE2 no hydrogen 3.218 N/A VAL 211.A N PHE 190.A O no hydrogen 2.944 N/A GLY 212.A N HIS 220.A O no hydrogen 2.833 N/A PHE 213.A N GLU 188.A O no hydrogen 2.841 N/A THR 214.A N LYS 218.A O no hydrogen 2.870 N/A THR 214.A OG1 LYS 218.A O no hydrogen 3.130 N/A SER 215.A N LYS 218.A O no hydrogen 3.253 N/A HIS 220.A N GLY 212.A O no hydrogen 2.982 N/A ALA 222.A N ASN 210.A O no hydrogen 3.058 N/A CYS 223.A N ILE 235.A O no hydrogen 2.912 N/A ASN 224.A N HIS 208.A O no hydrogen 2.961 N/A ASN 224.A ND2 GLY 232.A O no hydrogen 2.999 N/A ALA 225.A N ASN 224.A OD1 no hydrogen 2.732 N/A ARG 226.A N VAL 205.A O no hydrogen 2.839 N/A ARG 226.A NE GLY 229.A O no hydrogen 3.102 N/A ARG 226.A NH1 ASP 201.A O no hydrogen 3.469 N/A ARG 226.A NH1 ASP 201.A OD1 no hydrogen 3.038 N/A ARG 226.A NH1 SER 202.A O no hydrogen 2.941 N/A MET 227.A N THR 230.A O no hydrogen 3.031 N/A ASN 228.A N ASN 204.A OD1 no hydrogen 2.824 N/A GLY 229.A N LYS 203.A O no hydrogen 2.930 N/A THR 230.A N MET 227.A O no hydrogen 3.064 N/A GLY 232.A N ALA 225.A O no hydrogen 2.928 N/A ILE 235.A N CYS 223.A O no hydrogen 2.741 N/A VAL 237.A N ILE 221.A O no hydrogen 2.806 N/A ARG 244.A N ASP 216.A O no hydrogen 2.954 N/A ARG 244.A NE ALA 187.A O no hydrogen 2.871 N/A ARG 244.A NH1 ASP 216.A OD1 no hydrogen 3.024 N/A ARG 244.A NH2 ALA 187.A O no hydrogen 2.803 N/A GLY 245.A N PRO 183.A O no hydrogen 2.829 N/A LYS 246.A N GLN 243.A O no hydrogen 3.114 N/A PHE 248.A N GLY 181.A O no hydrogen 2.947 N/A THR 249.A N ASP 264.A OD1 no hydrogen 2.847 N/A LEU 250.A N VAL 179.A O no hydrogen 2.738 N/A GLN 251.A N LEU 262.A O no hydrogen 2.836 N/A GLN 251.A NE2 THR 178.A OG1 no hydrogen 2.990 N/A ILE 252.A N LEU 177.A O no hydrogen 2.952 N/A LEU 253.A N GLN 260.A O no hydrogen 2.879 N/A THR 254.A N THR 175.A O no hydrogen 2.960 N/A THR 254.A OG1 THR 175.A O no hydrogen 3.285 N/A ARG 255.A N ASP 258.A O no hydrogen 2.909 N/A ARG 255.A NH1 ASP 258.A OD1 no hydrogen 3.196 N/A ARG 255.A NH1 ASP 258.A OD2 no hydrogen 2.723 N/A PHE 259.A N PHE 271.A O no hydrogen 2.898 N/A GLN 260.A N LEU 253.A O no hydrogen 2.921 N/A VAL 261.A N THR 269.A O no hydrogen 2.813 N/A LEU 262.A N GLN 251.A O no hydrogen 2.838 N/A VAL 263.A N GLN 266.A O no hydrogen 2.934 N/A ASP 264.A N THR 249.A O no hydrogen 2.799 N/A GLN 266.A N VAL 263.A O no hydrogen 2.889 N/A LEU 268.A N VAL 261.A O no hydrogen 2.902 N/A THR 269.A N VAL 261.A O no hydrogen 3.178 N/A THR 269.A OG1 GLN 270.A O no hydrogen 3.457 N/A GLN 270.A N THR 269.A OG1 no hydrogen 2.798 N/A GLN 270.A NE2 GLN 270.A O no hydrogen 3.692 N/A PHE 271.A N PHE 259.A O no hydrogen 2.946 N/A TYR 273.A N ALA 257.A O no hydrogen 3.006 N/A TYR 273.A OH ARG 255.A O no hydrogen 2.526 N/A ARG 274.A NH1 GLN 272.A O no hydrogen 2.727 N/A GLU 277.A N TYR 196.A OH no hydrogen 3.347 N/A LEU 278.A N LYS 276.A O no hydrogen 3.076 N/A GLN 280.A N GLU 277.A O no hydrogen 2.911 N/A GLN 280.A NE2 ASP 279.A OD2 no hydrogen 2.892 N/A ILE 281.A N LEU 278.A O no hydrogen 3.151 N/A LYS 282.A NZ ASP 279.A O no hydrogen 3.464 N/A TYR 283.A N VAL 195.A O no hydrogen 3.250 N/A VAL 284.A N LEU 165.A O no hydrogen 2.935 N/A HIS 285.A N ASN 193.A O no hydrogen 2.888 N/A HIS 285.A NE2 ASP 129.A OD1 no hydrogen 2.545 N/A MET 286.A N TYR 163.A O no hydrogen 2.853 N/A PHE 287.A N ILE 191.A O no hydrogen 2.990 N/A HIS 289.A N PHE 189.A O no hydrogen 2.920 N/A HIS 289.A NE2 LEU 126.A O no hydrogen 2.770 N/A VAL 290.A N GLY 288.A O no hydrogen 2.990 N/A VAL 291.A N THR 182.A O no hydrogen 2.892 N/A THR 293.A OG1 ALA 162.A O no hydrogen 2.647 N/A HIS 294.A N THR 180.A O no hydrogen 2.916 N/A GLU 296.A N THR 178.A O no hydrogen 3.024 N/A GLN 298.A N LEU 176.A O no hydrogen 3.088 N/A