Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fe3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N TYR 7.A O no hydrogen 2.856 N/A ASN 6.A ND2 TYR 291.A OH no hydrogen 3.513 N/A ASN 6.A ND2 GLU 307.A OE2 no hydrogen 3.502 N/A TYR 7.A N ILE 4.A O no hydrogen 2.843 N/A TYR 7.A OH GLU 71.A OE1 no hydrogen 2.613 N/A ARG 8.A N ARG 25.A O no hydrogen 2.883 N/A LEU 9.A N PRO 2.A O no hydrogen 2.939 N/A LEU 10.A N LEU 23.A O no hydrogen 2.699 N/A ILE 13.A N VAL 21.A O no hydrogen 2.782 N/A GLY 14.A N VAL 21.A O no hydrogen 3.219 N/A GLY 16.A N ALA 19.A O no hydrogen 2.704 N/A LYS 20.A N ILE 37.A O no hydrogen 3.145 N/A VAL 21.A N GLY 14.A O no hydrogen 2.890 N/A LYS 22.A N ILE 35.A O no hydrogen 2.878 N/A LEU 23.A N LYS 11.A O no hydrogen 2.818 N/A ALA 24.A N VAL 33.A O no hydrogen 3.030 N/A ARG 25.A N ARG 8.A O no hydrogen 2.896 N/A HIS 26.A N ARG 31.A O no hydrogen 2.855 N/A HIS 26.A ND1 THR 29.A OG1 no hydrogen 2.833 N/A ILE 27.A N ASN 6.A O no hydrogen 2.805 N/A THR 29.A OG1 HIS 26.A ND1 no hydrogen 2.833 N/A GLY 30.A N HIS 26.A O no hydrogen 2.732 N/A ARG 31.A N THR 29.A OG1 no hydrogen 3.190 N/A ARG 31.A NH1 THR 29.A O no hydrogen 3.086 N/A VAL 33.A N ALA 24.A O no hydrogen 2.965 N/A ALA 34.A N MET 83.A O no hydrogen 2.930 N/A ILE 35.A N LYS 22.A O no hydrogen 2.781 N/A LYS 36.A N LEU 81.A O no hydrogen 2.866 N/A LYS 36.A NZ PHE 154.A O no hydrogen 3.206 N/A ILE 37.A N LYS 20.A O no hydrogen 2.734 N/A ILE 38.A N LEU 79.A O no hydrogen 2.734 N/A LYS 40.A N LYS 77.A O no hydrogen 2.729 N/A LYS 40.A NZ GLU 74.A OE2 no hydrogen 2.948 N/A LYS 40.A NZ THR 75.A O no hydrogen 2.566 N/A LYS 40.A NZ GLU 76.A O no hydrogen 2.812 N/A THR 41.A N ASP 39.A OD1 no hydrogen 2.790 N/A THR 41.A OG1 ASP 39.A OD1 no hydrogen 2.882 N/A THR 41.A OG1 ASP 39.A OD2 no hydrogen 3.415 N/A GLN 42.A N ASP 39.A O no hydrogen 3.422 N/A LEU 43.A N LYS 40.A O no hydrogen 2.916 N/A SER 47.A N ASN 44.A OD1 no hydrogen 3.270 N/A SER 47.A OG ASN 44.A O no hydrogen 3.443 N/A SER 47.A OG ASN 44.A OD1 no hydrogen 3.444 N/A LEU 48.A N ASN 44.A O no hydrogen 3.069 N/A GLN 49.A N PRO 45.A O no hydrogen 3.032 N/A GLN 49.A NE2 GLN 49.A O no hydrogen 2.942 N/A LYS 50.A N THR 46.A O no hydrogen 2.849 N/A LYS 50.A NZ SER 151.A OG no hydrogen 2.904 N/A LYS 50.A NZ GLU 153.A OE1 no hydrogen 2.972 N/A LEU 51.A N SER 47.A O no hydrogen 2.795 N/A PHE 52.A N LEU 48.A O no hydrogen 3.116 N/A ARG 53.A N GLN 49.A O no hydrogen 2.988 N/A GLU 54.A N LYS 50.A O no hydrogen 2.976 N/A VAL 55.A N LEU 51.A O no hydrogen 2.756 N/A ARG 56.A N PHE 52.A O no hydrogen 2.946 N/A ILE 57.A N ARG 53.A O no hydrogen 2.966 N/A MET 58.A N GLU 54.A O no hydrogen 3.127 N/A LYS 59.A N VAL 55.A O no hydrogen 3.138 N/A ILE 60.A N ILE 57.A O no hydrogen 3.199 N/A LEU 61.A N ILE 57.A O no hydrogen 3.342 N/A LEU 61.A N MET 58.A O no hydrogen 3.374 N/A ASN 62.A N TYR 119.A OH no hydrogen 2.986 N/A ASN 62.A ND2 LYS 59.A O no hydrogen 3.290 N/A HIS 63.A NE2 SER 115.A OG no hydrogen 2.813 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.946 N/A ASN 65.A ND2 ILE 143.A O no hydrogen 2.982 N/A ILE 66.A N HIS 63.A O no hydrogen 3.242 N/A VAL 67.A N ILE 145.A O no hydrogen 2.995 N/A LYS 68.A N GLU 84.A OE1 no hydrogen 3.088 N/A LYS 68.A NZ ASN 62.A OD1 no hydrogen 3.145 N/A LYS 68.A NZ LEU 69.A O no hydrogen 3.517 N/A PHE 70.A N ILE 82.A O no hydrogen 2.718 N/A GLU 71.A N ILE 82.A O no hydrogen 3.336 N/A VAL 72.A N TYR 305.A O no hydrogen 3.078 N/A ILE 73.A N TYR 80.A O no hydrogen 2.960 N/A THR 75.A N THR 78.A O no hydrogen 2.922 N/A THR 75.A OG1 THR 78.A O no hydrogen 3.386 N/A THR 78.A N THR 75.A OG1 no hydrogen 3.055 N/A LEU 79.A N ILE 38.A O no hydrogen 2.847 N/A TYR 80.A N ILE 73.A O no hydrogen 2.933 N/A LEU 81.A N LYS 36.A O no hydrogen 2.840 N/A ILE 82.A N GLU 71.A O no hydrogen 2.925 N/A MET 83.A N ALA 34.A O no hydrogen 2.822 N/A GLU 84.A N LYS 68.A O no hydrogen 2.852 N/A GLY 88.A N LEU 137.A O no hydrogen 2.778 N/A VAL 91.A N LEU 135.A O no hydrogen 2.994 N/A TYR 94.A N GLU 90.A O no hydrogen 3.014 N/A LEU 95.A N VAL 91.A O no hydrogen 2.978 N/A VAL 96.A N PHE 92.A O no hydrogen 2.859 N/A ALA 97.A N ASP 93.A O no hydrogen 2.885 N/A HIS 98.A N TYR 94.A O no hydrogen 2.646 N/A GLY 99.A N LEU 95.A O no hydrogen 2.776 N/A MET 101.A N LEU 197.A O no hydrogen 2.892 N/A ALA 106.A N LYS 102.A O no hydrogen 2.938 N/A ARG 107.A N GLU 103.A O no hydrogen 2.830 N/A ARG 107.A NE TRP 257.A O no hydrogen 2.775 N/A SER 108.A N LYS 104.A O no hydrogen 3.235 N/A SER 108.A OG GLU 105.A O no hydrogen 3.033 N/A LYS 109.A N GLU 105.A O no hydrogen 3.243 N/A LYS 109.A NZ MET 141.A O no hydrogen 2.815 N/A PHE 110.A N ALA 106.A O no hydrogen 2.787 N/A ARG 111.A N ARG 107.A O no hydrogen 2.909 N/A ARG 111.A NH1 ILE 258.A O no hydrogen 2.907 N/A ARG 111.A NH1 ASN 259.A OD1 no hydrogen 3.007 N/A ARG 111.A NH2 ASP 265.A O no hydrogen 3.065 N/A GLN 112.A NE2 ASN 142.A OD1 no hydrogen 2.960 N/A ILE 113.A N LYS 109.A O no hydrogen 2.914 N/A VAL 114.A N PHE 110.A O no hydrogen 2.835 N/A SER 115.A N ARG 111.A O no hydrogen 3.021 N/A SER 115.A OG HIS 63.A NE2 no hydrogen 2.813 N/A ALA 116.A N GLN 112.A O no hydrogen 2.922 N/A VAL 117.A N ILE 113.A O no hydrogen 3.039 N/A GLN 118.A N VAL 114.A O no hydrogen 2.983 N/A TYR 119.A N SER 115.A O no hydrogen 3.051 N/A TYR 119.A OH ILE 60.A O no hydrogen 3.133 N/A TYR 119.A OH GLU 272.A OE2 no hydrogen 2.605 N/A CYS 120.A N ALA 116.A O no hydrogen 3.104 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.503 N/A HIS 121.A N VAL 117.A O no hydrogen 3.060 N/A HIS 121.A NE2 ASP 186.A OD2 no hydrogen 2.842 N/A GLN 122.A N GLN 118.A O no hydrogen 2.986 N/A LYS 123.A N TYR 119.A O no hydrogen 3.270 N/A ARG 124.A N HIS 121.A O no hydrogen 2.824 N/A ILE 125.A N CYS 120.A O no hydrogen 2.925 N/A HIS 127.A N ASP 186.A OD2 no hydrogen 2.989 N/A ARG 128.A N ASP 186.A OD1 no hydrogen 2.811 N/A LYS 131.A N ASN 134.A OD1 no hydrogen 2.928 N/A LYS 131.A NZ GLU 133.A OE2.B no hydrogen 3.422 N/A LYS 131.A NZ ALA 162.A O no hydrogen 2.625 N/A GLU 133.A N.A GLU 133.A OE1.A no hydrogen 2.563 N/A ASN 134.A N LYS 131.A O no hydrogen 3.137 N/A ASN 134.A ND2 ALA 146.A O no hydrogen 2.913 N/A LEU 135.A N ALA 132.A O no hydrogen 3.041 N/A LEU 136.A N LYS 144.A O no hydrogen 2.890 N/A LEU 137.A N GLY 89.A O no hydrogen 2.928 N/A ASP 138.A N ASN 142.A O no hydrogen 2.860 N/A ASP 140.A N ASP 138.A OD1 no hydrogen 2.695 N/A MET 141.A N ASP 138.A O no hydrogen 3.056 N/A ASN 142.A N ASP 138.A OD1 no hydrogen 2.963 N/A ILE 143.A N GLN 112.A OE1 no hydrogen 3.027 N/A LYS 144.A N LEU 136.A O no hydrogen 2.818 N/A LYS 144.A NZ PRO 64.A O no hydrogen 2.833 N/A LYS 144.A NZ GLU 84.A OE2 no hydrogen 2.634 N/A ILE 145.A N ASN 65.A O no hydrogen 2.804 N/A ALA 146.A N ASN 134.A O no hydrogen 2.795 N/A GLY 149.A N HIS 127.A ND1 no hydrogen 2.893 N/A PHE 150.A N ASP 147.A O no hydrogen 3.421 N/A SER 151.A N GLU 54.A OE1 no hydrogen 3.070 N/A SER 151.A N GLU 54.A OE2 no hydrogen 3.394 N/A SER 151.A OG GLU 54.A OE1 no hydrogen 3.511 N/A SER 151.A OG GLU 54.A OE2 no hydrogen 2.816 N/A ASN 152.A ND2 ASP 129.A OD2 no hydrogen 2.830 N/A PHE 154.A N SER 151.A O no hydrogen 3.253 N/A THR 155.A N ASN 152.A O no hydrogen 3.197 N/A THR 155.A OG1 ASN 152.A O no hydrogen 3.021 N/A ASP 161.A N GLY 158.A O no hydrogen 3.090 N/A CYS 164.A N ASP 161.A O no hydrogen 3.266 N/A TYR 169.A N ALA 166.A O no hydrogen 2.943 N/A ALA 170.A N PRO 167.A O no hydrogen 3.052 N/A ALA 171.A N TYR 180.A OH no hydrogen 2.976 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.708 N/A LEU 174.A N ALA 171.A O no hydrogen 3.025 N/A GLN 176.A N PRO 172.A O no hydrogen 3.068 N/A GLN 176.A N GLU 173.A O no hydrogen 3.156 N/A GLY 177.A N LEU 174.A O no hydrogen 3.491 N/A LYS 178.A N GLU 173.A O no hydrogen 3.128 N/A GLU 184.A N GLU 184.A OE2 no hydrogen 2.730 N/A VAL 185.A N GLY 182.A O no hydrogen 3.188 N/A VAL 187.A N PRO 183.A O no hydrogen 3.111 N/A TRP 188.A N GLU 184.A O no hydrogen 3.112 N/A SER 189.A N VAL 185.A O no hydrogen 3.196 N/A SER 189.A OG TYR 169.A O no hydrogen 2.846 N/A SER 189.A OG VAL 185.A O no hydrogen 3.363 N/A LEU 190.A N ASP 186.A O no hydrogen 2.918 N/A GLY 191.A N VAL 187.A O no hydrogen 3.165 N/A VAL 192.A N TRP 188.A O no hydrogen 3.178 N/A ILE 193.A N SER 189.A O no hydrogen 2.966 N/A LEU 194.A N LEU 190.A O no hydrogen 2.810 N/A TYR 195.A N GLY 191.A O no hydrogen 3.034 N/A TYR 195.A OH ARG 222.A O no hydrogen 2.558 N/A THR 196.A N VAL 192.A O no hydrogen 3.005 N/A THR 196.A OG1 ILE 193.A O no hydrogen 2.897 N/A LEU 197.A N ILE 193.A O no hydrogen 3.049 N/A VAL 198.A N LEU 194.A O no hydrogen 3.150 N/A SER 199.A N TYR 195.A O no hydrogen 3.019 N/A SER 199.A OG TYR 195.A O no hydrogen 2.692 N/A GLY 200.A N THR 196.A O no hydrogen 2.810 N/A SER 201.A N SER 199.A OG no hydrogen 3.053 N/A GLN 207.A N GLU 211.A OE1 no hydrogen 2.978 N/A GLU 211.A N ASN 208.A OD1 no hydrogen 2.867 N/A LEU 212.A N ASN 208.A O no hydrogen 3.060 N/A ARG 213.A N LEU 209.A O no hydrogen 2.856 N/A GLU 214.A N LYS 210.A O no hydrogen 2.900 N/A ARG 215.A N GLU 211.A O no hydrogen 3.154 N/A VAL 216.A N LEU 212.A O no hydrogen 2.950 N/A LEU 217.A N ARG 213.A O no hydrogen 3.001 N/A ARG 218.A N GLU 214.A O no hydrogen 3.058 N/A GLY 219.A N ARG 215.A O no hydrogen 2.962 N/A MET 227.A N PRO 224.A O no hydrogen 3.162 N/A SER 228.A N GLU 103.A OE2 no hydrogen 2.873 N/A SER 228.A OG GLU 103.A OE1 no hydrogen 2.502 N/A SER 228.A OG GLU 103.A OE2 no hydrogen 3.185 N/A CYS 231.A N SER 228.A O no hydrogen 3.135 N/A CYS 231.A N SER 228.A OG no hydrogen 3.166 N/A GLU 232.A N SER 228.A O no hydrogen 3.051 N/A ASN 233.A N THR 229.A O no hydrogen 2.945 N/A LEU 234.A N ASP 230.A O no hydrogen 3.050 N/A LEU 235.A N CYS 231.A O no hydrogen 2.972 N/A LYS 236.A N GLU 232.A O no hydrogen 3.193 N/A LYS 236.A NZ ASN 233.A OD1 no hydrogen 3.363 N/A ARG 237.A N LEU 234.A O no hydrogen 2.934 N/A PHE 238.A N LEU 235.A O no hydrogen 3.177 N/A LEU 239.A N LEU 235.A O no hydrogen 2.882 N/A VAL 240.A N PHE 238.A O no hydrogen 2.919 N/A ILE 244.A N ASN 242.A OD1 no hydrogen 2.953 N/A LYS 245.A N ASN 242.A OD1 no hydrogen 3.174 N/A ARG 246.A N ASN 242.A O no hydrogen 3.001 N/A ARG 246.A NE VAL 240.A O no hydrogen 2.838 N/A ARG 246.A NH1 GLU 173.A OE1 no hydrogen 3.564 N/A ARG 246.A NH1 GLU 173.A OE2 no hydrogen 2.886 N/A ARG 246.A NH1 GLU 184.A O no hydrogen 2.924 N/A ARG 246.A NH2 GLU 173.A OE1 no hydrogen 2.909 N/A ARG 246.A NH2 VAL 240.A O no hydrogen 2.980 N/A ARG 246.A NH2 LEU 241.A O no hydrogen 3.076 N/A GLY 247.A N ARG 237.A O no hydrogen 2.989 N/A THR 248.A OG1 GLU 250.A OE1 no hydrogen 2.965 N/A GLN 251.A N GLU 250.A OE1 no hydrogen 3.132 N/A ILE 252.A N THR 248.A O no hydrogen 2.829 N/A MET 253.A N LEU 249.A O no hydrogen 2.870 N/A LYS 254.A N GLN 251.A O no hydrogen 3.001 N/A ASP 255.A N ILE 252.A O no hydrogen 2.882 N/A ARG 256.A NE.A ASP 230.A OD1 no hydrogen 2.736 N/A ARG 256.A NE.A ASP 230.A OD2 no hydrogen 2.845 N/A ARG 256.A NH2.A ASP 230.A OD1 no hydrogen 2.563 N/A TRP 257.A NE1 GLU 103.A OE1 no hydrogen 2.850 N/A ILE 258.A N ASP 255.A OD2 no hydrogen 3.040 N/A ASN 259.A N ASP 255.A O no hydrogen 3.246 N/A ASN 259.A N ARG 256.A O.A no hydrogen 3.295 N/A ASN 259.A N ARG 256.A O.B no hydrogen 2.955 N/A ASN 259.A ND2 MET 253.A O no hydrogen 2.905 N/A ASN 259.A ND2 ASP 255.A O no hydrogen 2.960 N/A ALA 260.A N TRP 257.A O no hydrogen 3.222 N/A HIS 262.A N ASN 259.A O no hydrogen 2.687 N/A HIS 262.A ND1 ASP 265.A OD2 no hydrogen 2.860 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 3.084 N/A LEU 267.A N ASN 259.A OD1 no hydrogen 2.990 N/A LEU 275.A N GLU 274.A OE1 no hydrogen 3.233 N/A SER 278.A N ASP 276.A OD1 no hydrogen 2.875 N/A ASP 279.A N TYR 312.A OH no hydrogen 3.116 N/A GLN 280.A NE2 ASP 284.A OD1 no hydrogen 2.833 N/A GLN 280.A NE2 GLN 293.A OE1 no hydrogen 2.967 N/A ARG 282.A N ASP 279.A OD1 no hydrogen 3.356 N/A ARG 282.A NE ASP 279.A OD2 no hydrogen 3.104 N/A ARG 282.A NH1 TYR 312.A O no hydrogen 2.965 N/A ILE 283.A N ASP 279.A O no hydrogen 2.940 N/A ASP 284.A N GLN 280.A O no hydrogen 2.808 N/A ILE 285.A N LYS 281.A O no hydrogen 3.331 N/A MET 286.A N ARG 282.A O no hydrogen 3.072 N/A VAL 287.A N ILE 283.A O no hydrogen 3.017 N/A GLY 288.A N ASP 284.A O no hydrogen 3.055 N/A MET 289.A N MET 286.A O no hydrogen 3.023 N/A GLY 290.A N VAL 287.A O no hydrogen 2.921 N/A TYR 291.A N MET 286.A O no hydrogen 3.098 N/A TYR 291.A OH GLU 307.A OE2 no hydrogen 2.434 N/A GLU 295.A N SER 292.A OG no hydrogen 3.185 N/A ILE 296.A N SER 292.A O no hydrogen 2.843 N/A GLN 297.A N GLN 293.A O no hydrogen 2.727 N/A GLU 298.A N GLU 294.A O no hydrogen 2.992 N/A SER 299.A N GLU 295.A O no hydrogen 3.026 N/A SER 299.A OG GLU 295.A O no hydrogen 3.511 N/A SER 299.A OG ASP 306.A OD2 no hydrogen 2.675 N/A LEU 300.A N ILE 296.A O no hydrogen 3.026 N/A SER 301.A N GLN 297.A O no hydrogen 3.043 N/A SER 301.A OG GLN 297.A O no hydrogen 2.948 N/A SER 301.A OG GLU 298.A O no hydrogen 3.344 N/A LYS 302.A N GLU 298.A O no hydrogen 3.028 N/A MET 303.A N LEU 300.A O no hydrogen 2.682 N/A LYS 304.A N SER 299.A O no hydrogen 3.146 N/A LYS 304.A NZ GLU 298.A OE2 no hydrogen 3.346 N/A TYR 305.A OH LYS 59.A O no hydrogen 2.722 N/A ASP 306.A N THR 309.A OG1 no hydrogen 3.142 N/A THR 309.A N ASP 306.A OD1 no hydrogen 3.015 N/A THR 309.A OG1 ASP 306.A O no hydrogen 3.521 N/A ALA 310.A N ASP 306.A O no hydrogen 3.208 N/A THR 311.A N GLU 307.A O no hydrogen 3.158 N/A THR 311.A OG1 HIS 26.A NE2 no hydrogen 3.394 N/A THR 311.A OG1 GLU 307.A O no hydrogen 2.952 N/A TYR 312.A N ILE 308.A O no hydrogen 2.843 N/A TYR 312.A OH ASP 276.A O no hydrogen 2.532 N/A LEU 313.A N THR 309.A O no hydrogen 2.984 N/A LEU 314.A N ALA 310.A O no hydrogen 2.816 N/A LEU 315.A N THR 311.A O no hydrogen 2.903 N/A GLY 316.A N LEU 313.A O no hydrogen 2.870 N/A ARG 317.A N LEU 314.A O no hydrogen 3.068 N/A ARG 317.A NH2 GLU 84.A OE2 no hydrogen 2.601 N/A