Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nxs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 ASP 41.A OD2 no hydrogen 2.713 N/A LEU 5.A N ASN 1.A O no hydrogen 2.981 N/A ALA 6.A N VAL 2.A O no hydrogen 3.135 N/A GLN 7.A N HIS 3.A O no hydrogen 3.329 N/A SER 8.A N GLU 4.A O no hydrogen 3.132 N/A SER 8.A OG GLU 4.A O no hydrogen 2.843 N/A ILE 9.A N LEU 5.A O no hydrogen 3.176 N/A ARG 10.A N ALA 6.A O no hydrogen 2.871 N/A ARG 10.A NE GLU 45.A OE1 no hydrogen 3.190 N/A ARG 10.A NE GLU 45.A OE2 no hydrogen 2.683 N/A ARG 10.A NH1 GLN 7.A OE1 no hydrogen 3.037 N/A ARG 10.A NH1 ASP 41.A OD1 no hydrogen 3.324 N/A ARG 10.A NH2 ASP 41.A OD1 no hydrogen 3.041 N/A ARG 10.A NH2 GLU 45.A OE1 no hydrogen 3.128 N/A ASP 11.A N GLN 7.A O no hydrogen 2.795 N/A GLY 12.A N ILE 9.A O no hydrogen 2.949 N/A ASP 13.A N SER 8.A O no hydrogen 2.945 N/A SER 15.A N ASP 13.A OD2 no hydrogen 2.755 N/A ALA 16.A N ASP 13.A O no hydrogen 3.098 N/A ALA 16.A N ASP 13.A OD2 no hydrogen 3.015 N/A LEU 17.A N ASP 13.A O no hydrogen 3.105 N/A ALA 18.A N ARG 14.A O no hydrogen 3.088 N/A ARG 19.A N SER 15.A O no hydrogen 3.043 N/A ARG 19.A NH2 SER 15.A OG no hydrogen 2.834 N/A ALA 20.A N ALA 16.A O no hydrogen 2.924 N/A ILE 21.A N LEU 17.A O no hydrogen 2.875 N/A THR 22.A N ALA 18.A O no hydrogen 2.999 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.854 N/A LEU 23.A N ARG 19.A O no hydrogen 2.739 N/A VAL 24.A N ALA 20.A O no hydrogen 2.808 N/A GLU 25.A N ILE 21.A O no hydrogen 2.942 N/A SER 26.A OG HIS 31.A ND1 no hydrogen 2.745 N/A ARG 28.A N SER 26.A OG no hydrogen 3.248 N/A HIS 31.A N ASP 30.A OD1 no hydrogen 3.140 N/A HIS 31.A ND1 SER 26.A OG no hydrogen 2.745 N/A ARG 32.A N ARG 28.A O no hydrogen 3.115 N/A ARG 32.A NE THR 27.A O no hydrogen 3.243 N/A GLU 33.A N ALA 29.A O no hydrogen 3.267 N/A GLN 34.A N ASP 30.A O no hydrogen 3.148 N/A ALA 35.A N HIS 31.A O no hydrogen 2.688 N/A GLN 36.A N ARG 32.A O no hydrogen 3.222 N/A GLN 36.A NE2 GLU 117.A OE2 no hydrogen 2.737 N/A GLN 37.A N GLU 33.A O no hydrogen 3.269 N/A LEU 38.A N GLN 34.A O no hydrogen 2.926 N/A LEU 39.A N ALA 35.A O no hydrogen 2.892 N/A LEU 40.A N GLN 36.A O no hydrogen 3.033 N/A ASP 41.A N GLN 37.A O no hydrogen 3.056 N/A LEU 42.A N LEU 38.A O no hydrogen 2.931 N/A MET 43.A N LEU 40.A O no hydrogen 2.997 N/A GLU 45.A N LEU 42.A O no hydrogen 3.006 N/A ALA 46.A N LEU 42.A O no hydrogen 3.147 N/A GLY 47.A N GLU 123.A OE1 no hydrogen 2.892 N/A SER 48.A N GLU 45.A O no hydrogen 3.131 N/A SER 48.A OG GLU 45.A O no hydrogen 2.923 N/A ALA 49.A N GLU 123.A OE2 no hydrogen 2.992 N/A MET 50.A N ASP 128.A O no hydrogen 3.028 N/A HIS 51.A N ASP 149.A OD2 no hydrogen 2.897 N/A HIS 51.A NE2 GLU 123.A OE2 no hydrogen 2.666 N/A VAL 52.A N ILE 130.A O no hydrogen 2.875 N/A GLY 53.A N THR 150.A O no hydrogen 2.913 N/A ILE 54.A N VAL 132.A O no hydrogen 2.776 N/A THR 55.A N VAL 152.A O no hydrogen 3.003 N/A THR 55.A OG1 THR 134.A O no hydrogen 2.657 N/A VAL 60.A N VAL 57.A O no hydrogen 3.122 N/A LYS 62.A NZ GLU 133.A OE2 no hydrogen 2.634 N/A THR 65.A N GLY 61.A O no hydrogen 3.022 N/A THR 65.A OG1 GLY 61.A O no hydrogen 2.809 N/A ILE 66.A N LYS 62.A O no hydrogen 2.875 N/A GLU 67.A N SER 63.A O no hydrogen 2.877 N/A ALA 68.A N THR 64.A O no hydrogen 2.963 N/A LEU 69.A N THR 65.A O no hydrogen 2.717 N/A GLY 70.A N ILE 66.A O no hydrogen 2.771 N/A MET 71.A N GLU 67.A O no hydrogen 2.983 N/A HIS 72.A N ALA 68.A O no hydrogen 3.052 N/A LEU 73.A N LEU 69.A O no hydrogen 3.030 N/A ILE 74.A N GLY 70.A O no hydrogen 2.883 N/A GLU 75.A N MET 71.A O no hydrogen 2.765 N/A ALA 76.A N HIS 72.A O no hydrogen 3.322 N/A GLY 77.A N ILE 74.A O no hydrogen 2.837 N/A HIS 78.A N LEU 73.A O no hydrogen 2.974 N/A HIS 78.A ND1 ASP 128.A OD1 no hydrogen 2.792 N/A ARG 79.A N ASP 128.A OD2 no hydrogen 2.777 N/A ARG 79.A NE ASP 96.A OD1 no hydrogen 3.316 N/A ARG 79.A NH1 ALA 125.A O no hydrogen 3.393 N/A VAL 80.A N ASP 96.A O no hydrogen 2.901 N/A ALA 81.A N VAL 129.A O no hydrogen 2.900 N/A VAL 82.A N TYR 98.A O no hydrogen 2.785 N/A LEU 83.A N LEU 131.A O no hydrogen 2.764 N/A VAL 85.A N GLU 133.A O no hydrogen 2.896 N/A ASP 86.A N SER 102.A OG no hydrogen 2.976 N/A ARG 87.A NH1 GLU 133.A OE1 no hydrogen 2.609 N/A ARG 87.A NH2 GLU 133.A OE1 no hydrogen 3.314 N/A ARG 87.A NH2 GLU 133.A OE2 no hydrogen 2.743 N/A ARG 90.A N GLU 67.A OE2 no hydrogen 2.953 N/A LEU 91.A N MET 88.A O no hydrogen 2.955 N/A ALA 92.A N MET 88.A O no hydrogen 3.020 N/A HIS 94.A N LEU 91.A O no hydrogen 3.163 N/A ASP 96.A N HIS 94.A ND1 no hydrogen 3.067 N/A ALA 97.A N HIS 94.A O no hydrogen 3.263 N/A TYR 98.A N VAL 80.A O no hydrogen 2.698 N/A ARG 100.A N VAL 82.A O no hydrogen 3.505 N/A ARG 100.A NE.B PRO 101.A O no hydrogen 2.702 N/A ARG 100.A NH1.B THR 115.A OG1 no hydrogen 3.418 N/A SER 102.A OG ALA 84.A O no hydrogen 3.368 N/A SER 102.A OG ASP 86.A O no hydrogen 3.420 N/A VAL 111.A N THR 107.A O no hydrogen 3.001 N/A ALA 112.A N LEU 108.A O no hydrogen 2.916 N/A LYS 113.A N GLY 109.A O no hydrogen 2.979 N/A LYS 113.A NZ GLU 117.A OE1 no hydrogen 3.309 N/A LYS 113.A NZ GLU 117.A OE2 no hydrogen 3.045 N/A ALA 114.A N GLY 110.A O no hydrogen 3.117 N/A THR 115.A N VAL 111.A O no hydrogen 2.931 N/A THR 115.A OG1 VAL 111.A O no hydrogen 3.094 N/A ARG 116.A N ALA 112.A O no hydrogen 2.945 N/A ARG 116.A NH1 GLY 146.A O no hydrogen 2.884 N/A ARG 116.A NH2 GLY 146.A O no hydrogen 3.522 N/A GLU 117.A N LYS 113.A O no hydrogen 3.112 N/A THR 118.A N ALA 114.A O no hydrogen 2.963 N/A THR 118.A OG1 ALA 114.A O no hydrogen 2.831 N/A ILE 119.A N THR 115.A O no hydrogen 2.985 N/A LEU 121.A N GLU 117.A O no hydrogen 3.344 N/A LEU 122.A N THR 118.A O no hydrogen 2.952 N/A GLU 123.A N ILE 119.A O no hydrogen 2.963 N/A ALA 124.A N VAL 120.A O no hydrogen 3.036 N/A ALA 125.A N LEU 121.A O no hydrogen 3.032 N/A GLY 126.A N GLU 123.A O no hydrogen 3.107 N/A TYR 127.A N LEU 122.A O no hydrogen 2.987 N/A ASP 128.A N ARG 79.A O no hydrogen 2.996 N/A VAL 129.A N ARG 79.A O no hydrogen 3.293 N/A ILE 130.A N MET 50.A O no hydrogen 2.985 N/A LEU 131.A N ALA 81.A O no hydrogen 2.766 N/A VAL 132.A N VAL 52.A O no hydrogen 2.782 N/A GLU 133.A N LEU 83.A O no hydrogen 2.829 N/A THR 134.A N ILE 54.A O no hydrogen 3.243 N/A THR 134.A OG1 VAL 85.A O no hydrogen 2.850 N/A THR 134.A OG1 ASP 86.A OD1 no hydrogen 3.568 N/A THR 134.A OG1 SER 140.A OG no hydrogen 2.597 N/A VAL 135.A N ASP 86.A OD1 no hydrogen 2.953 N/A SER 140.A N VAL 137.A O no hydrogen 3.094 N/A SER 140.A OG VAL 85.A O no hydrogen 3.280 N/A SER 140.A OG THR 134.A OG1 no hydrogen 2.597 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.953 N/A THR 143.A N GLN 139.A O no hydrogen 3.228 N/A THR 143.A OG1 GLN 139.A O no hydrogen 2.810 N/A VAL 144.A N SER 140.A O no hydrogen 3.058 N/A ALA 145.A N GLU 141.A O no hydrogen 2.847 N/A GLY 146.A N VAL 142.A O no hydrogen 3.312 N/A MET 147.A N VAL 144.A O no hydrogen 2.918 N/A ASP 149.A N HIS 51.A O no hydrogen 2.927 N/A THR 150.A OG1 HIS 236.A ND1 no hydrogen 2.895 N/A PHE 151.A N ASP 175.A OD2 no hydrogen 2.927 N/A VAL 152.A N GLY 53.A O no hydrogen 2.829 N/A PHE 153.A N VAL 176.A O no hydrogen 2.796 N/A LEU 154.A N THR 55.A O no hydrogen 2.910 N/A THR 155.A N VAL 178.A O no hydrogen 2.768 N/A THR 155.A OG1 VAL 178.A O no hydrogen 3.347 N/A ARG 158.A N GLN 162.A O no hydrogen 2.743 N/A THR 159.A N GLN 162.A O no hydrogen 3.182 N/A THR 159.A OG1 ASP 161.A OD2 no hydrogen 2.760 N/A ASP 161.A N THR 159.A OG1 no hydrogen 3.225 N/A GLN 162.A N THR 159.A OG1 no hydrogen 3.212 N/A GLN 162.A NE2 ASP 161.A OD2 no hydrogen 2.834 N/A GLN 164.A N LEU 156.A O no hydrogen 3.088 N/A LEU 173.A N VAL 170.A O no hydrogen 2.970 N/A ALA 174.A N LEU 171.A O no hydrogen 2.896 N/A ASP 175.A N PHE 151.A O no hydrogen 2.833 N/A VAL 176.A N PHE 151.A O no hydrogen 3.386 N/A ILE 177.A N PRO 214.A O no hydrogen 2.977 N/A VAL 178.A N PHE 153.A O no hydrogen 2.761 N/A VAL 179.A N LEU 216.A O no hydrogen 2.736 N/A ASN 180.A N THR 155.A O no hydrogen 2.993 N/A ASN 180.A ND2 VAL 60.A O no hydrogen 2.933 N/A LYS 181.A NZ GLY 59.A O no hydrogen 2.798 N/A ALA 182.A N MET 218.A O no hydrogen 3.004 N/A ALA 187.A N GLY 184.A O no hydrogen 3.387 N/A ALA 190.A N HIS 186.A O no hydrogen 3.029 N/A LYS 191.A N ALA 187.A O no hydrogen 3.053 N/A ALA 192.A N VAL 188.A O no hydrogen 3.262 N/A ALA 193.A N GLU 189.A O no hydrogen 3.040 N/A ALA 194.A N ALA 190.A O no hydrogen 3.032 N/A ARG 195.A N LYS 191.A O no hydrogen 3.036 N/A GLU 196.A N ALA 192.A O no hydrogen 3.023 N/A LEU 197.A N ALA 193.A O no hydrogen 2.901 N/A SER 198.A N ALA 194.A O no hydrogen 2.894 N/A SER 198.A OG ALA 194.A O no hydrogen 3.277 N/A GLY 199.A N ARG 195.A O no hydrogen 2.980 N/A ALA 200.A N GLU 196.A O no hydrogen 3.015 N/A ILE 201.A N LEU 197.A O no hydrogen 2.998 N/A ARG 202.A N SER 198.A O no hydrogen 2.970 N/A LEU 203.A N GLY 199.A O no hydrogen 2.915 N/A ILE 204.A N ALA 200.A O no hydrogen 3.030 N/A ILE 204.A N ILE 201.A O no hydrogen 3.143 N/A TYR 205.A N ILE 201.A O no hydrogen 2.843 N/A SER 209.A N PRO 206.A O no hydrogen 3.039 N/A SER 209.A OG PRO 206.A O no hydrogen 2.823 N/A TRP 211.A NE1 ASP 175.A O no hydrogen 2.835 N/A ARG 212.A NH2 TYR 205.A O no hydrogen 2.907 N/A LEU 216.A N ILE 177.A O no hydrogen 2.842 N/A MET 218.A N VAL 179.A O no hydrogen 3.110 N/A SER 219.A N THR 224.A O no hydrogen 2.973 N/A SER 219.A OG ASP 183.A OD2 no hydrogen 2.745 N/A ALA 220.A N ASN 180.A OD1 no hydrogen 3.071 N/A GLU 222.A N SER 219.A OG no hydrogen 2.990 N/A GLY 223.A N SER 219.A O no hydrogen 2.791 N/A LEU 229.A N GLY 225.A O no hydrogen 2.938 N/A TRP 230.A N LEU 226.A O no hydrogen 3.080 N/A GLU 231.A N PRO 227.A O no hydrogen 2.962 N/A THR 232.A N GLU 228.A O no hydrogen 2.978 N/A THR 232.A OG1 GLU 228.A O no hydrogen 2.717 N/A VAL 233.A N LEU 229.A O no hydrogen 3.086 N/A LEU 234.A N TRP 230.A O no hydrogen 3.047 N/A ARG 235.A N GLU 231.A O no hydrogen 2.790 N/A ARG 235.A NH1 GLU 238.A OE2 no hydrogen 2.826 N/A HIS 236.A N THR 232.A O no hydrogen 2.993 N/A HIS 236.A ND1 THR 150.A OG1 no hydrogen 2.895 N/A ARG 237.A N VAL 233.A O no hydrogen 3.262 N/A ARG 237.A NE GLU 241.A OE2 no hydrogen 3.076 N/A ARG 237.A NH2 GLU 241.A OE2 no hydrogen 3.300 N/A GLU 238.A N LEU 234.A O no hydrogen 3.005 N/A VAL 239.A N ARG 235.A O no hydrogen 2.901 N/A LEU 240.A N HIS 236.A O no hydrogen 2.992 N/A GLU 241.A N ARG 237.A O no hydrogen 2.729 N/A GLU 242.A N GLU 238.A O no hydrogen 2.815 N/A ALA 243.A N VAL 239.A O no hydrogen 3.124 N/A GLY 244.A N GLU 241.A O no hydrogen 2.865 N/A GLU 245.A N LEU 240.A O no hydrogen 3.010 N/A ARG 249.A N GLU 245.A O no hydrogen 3.055 N/A ARG 250.A N PHE 246.A O no hydrogen 3.456 N/A ARG 250.A NE ASP 149.A OD1 no hydrogen 2.757 N/A ARG 250.A NH1 GLY 47.A O no hydrogen 2.453 N/A ARG 250.A NH2 ALA 49.A O no hydrogen 2.790 N/A ARG 250.A NH2 ASP 149.A OD1 no hydrogen 3.455 N/A ARG 250.A NH2 ASP 149.A OD2 no hydrogen 2.776 N/A ARG 251.A N GLU 247.A O no hydrogen 2.998 N/A THR 252.A N ALA 248.A O no hydrogen 3.011 N/A THR 252.A OG1 ALA 248.A O no hydrogen 3.161 N/A GLN 253.A N ARG 249.A O no hydrogen 2.856 N/A GLN 253.A NE2 VAL 148.A O no hydrogen 2.696 N/A GLN 254.A N ARG 250.A O no hydrogen 3.061 N/A VAL 255.A N ARG 251.A O no hydrogen 3.218 N/A GLU 256.A N THR 252.A O no hydrogen 2.965 N/A TRP 257.A N GLN 253.A O no hydrogen 2.998 N/A THR 258.A N GLN 254.A O no hydrogen 2.992 N/A THR 258.A OG1 GLN 254.A O no hydrogen 2.840 N/A TRP 259.A N VAL 255.A O no hydrogen 3.180 N/A SER 260.A N GLU 256.A O no hydrogen 2.991 N/A MET 261.A N TRP 257.A O no hydrogen 3.033 N/A VAL 262.A N THR 258.A O no hydrogen 3.184 N/A ARG 263.A N TRP 259.A O no hydrogen 2.847 N/A ASP 264.A N SER 260.A O no hydrogen 2.889 N/A ALA 265.A N MET 261.A O no hydrogen 3.097 N/A VAL 266.A N VAL 262.A O no hydrogen 3.074 N/A LEU 267.A N ARG 263.A O no hydrogen 2.853 N/A ASP 268.A N ASP 264.A O no hydrogen 2.843 N/A ARG 269.A N ALA 265.A O no hydrogen 3.419 N/A VAL 270.A N LEU 267.A O no hydrogen 3.192 N/A MET 271.A N LEU 267.A O no hydrogen 2.993 N/A ASN 272.A N ASP 268.A O no hydrogen 2.919 N/A HIS 273.A N VAL 270.A O no hydrogen 3.220 N/A GLU 275.A N HIS 273.A ND1 no hydrogen 3.096 N/A ARG 277.A N HIS 273.A O no hydrogen 2.888 N/A ARG 278.A N PRO 274.A O no hydrogen 3.054 N/A ARG 278.A NH1 GLU 275.A OE2 no hydrogen 2.706 N/A ILE 279.A N GLU 275.A O no hydrogen 3.141 N/A ARG 280.A NH2 GLU 284.A OE2 no hydrogen 3.131 N/A VAL 283.A N ILE 279.A O no hydrogen 2.896 N/A GLU 284.A N ARG 280.A O no hydrogen 2.901 N/A GLN 285.A N ASP 281.A O no hydrogen 3.065 N/A ARG 286.A N ASP 282.A O no hydrogen 2.987 N/A ARG 286.A NH1 ASP 282.A OD2 no hydrogen 3.178 N/A ARG 286.A NH1 GLU 300.A OE2 no hydrogen 2.831 N/A ARG 286.A NH2 GLU 300.A OE1 no hydrogen 3.349 N/A ARG 286.A NH2 GLU 300.A OE2 no hydrogen 2.978 N/A VAL 287.A N VAL 283.A O no hydrogen 3.077 N/A ARG 288.A N GLU 284.A O no hydrogen 2.945 N/A ARG 288.A NH1 GLN 285.A OE1 no hydrogen 3.200 N/A LEU 289.A N GLN 285.A O no hydrogen 2.885 N/A GLY 290.A N VAL 287.A O no hydrogen 3.051 N/A GLU 291.A N ARG 286.A O no hydrogen 2.769 N/A LEU 292.A N ARG 286.A O no hydrogen 3.224 N/A LEU 296.A N THR 293.A OG1 no hydrogen 3.177 N/A ALA 297.A N THR 293.A O no hydrogen 2.929 N/A ALA 298.A N PRO 294.A O no hydrogen 2.761 N/A GLN 299.A N ALA 295.A O no hydrogen 3.007 N/A GLN 299.A NE2 ASP 303.A OD1 no hydrogen 2.896 N/A GLU 300.A N LEU 296.A O no hydrogen 2.994 N/A ILE 301.A N ALA 297.A O no hydrogen 2.961 N/A LEU 302.A N ALA 298.A O no hydrogen 2.917 N/A ASP 303.A N GLN 299.A O no hydrogen 2.870 N/A ALA 304.A N GLU 300.A O no hydrogen 3.030 N/A ALA 305.A N ILE 301.A O no hydrogen 3.259 N/A ALA 305.A N LEU 302.A O no hydrogen 3.142 N/A GLN 306.A N ASP 303.A O no hydrogen 2.898 N/A