Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4e5y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 GLN 53.A O no hydrogen 3.112 N/A ILE 4.A N ASP 28.A O no hydrogen 2.846 N/A LEU 5.A N HIS 56.A O no hydrogen 2.898 N/A VAL 6.A N VAL 30.A O no hydrogen 2.697 N/A THR 7.A N ILE 58.A O no hydrogen 2.972 N/A GLY 9.A N VAL 32.A O no hydrogen 2.805 N/A SER 10.A N SER 33.A OG no hydrogen 2.415 N/A LYS 15.A N GLY 11.A O no hydrogen 2.846 N/A ALA 16.A N LEU 12.A O no hydrogen 3.422 N/A ILE 17.A N VAL 13.A O no hydrogen 3.111 N/A GLN 18.A N GLY 14.A O no hydrogen 2.979 N/A LYS 19.A N ALA 16.A O no hydrogen 3.265 N/A ASP 28.A N MET 2.A O no hydrogen 2.896 N/A TRP 29.A NE1 GLU 27.A OE2 no hydrogen 2.804 N/A VAL 30.A N ILE 4.A O no hydrogen 2.740 N/A VAL 32.A N VAL 6.A O no hydrogen 2.901 N/A SER 33.A OG SER 10.A OG no hydrogen 2.889 N/A SER 33.A OG VAL 32.A O no hydrogen 2.496 N/A ASP 38.A N GLN 44.A OE1 no hydrogen 3.243 N/A THR 40.A N ASP 38.A OD1 no hydrogen 2.809 N/A ASP 41.A N ASP 38.A O no hydrogen 2.832 N/A THR 42.A OG1 ASN 87.A OD1 no hydrogen 2.703 N/A ALA 43.A N ASP 41.A OD1 no hydrogen 2.817 N/A GLN 44.A N ASP 41.A OD1 no hydrogen 3.370 N/A THR 45.A N ASP 41.A O no hydrogen 2.968 N/A THR 45.A OG1 ASP 41.A O no hydrogen 2.679 N/A ARG 46.A N THR 42.A O no hydrogen 2.979 N/A ARG 46.A NH1 GLU 94.A OE1 no hydrogen 3.249 N/A ALA 47.A N ALA 43.A O no hydrogen 3.056 N/A LEU 48.A N GLN 44.A O no hydrogen 2.950 N/A PHE 49.A N THR 45.A O no hydrogen 3.100 N/A GLU 50.A N ARG 46.A O no hydrogen 2.723 N/A LYS 51.A N ALA 47.A O no hydrogen 3.020 N/A VAL 52.A N LEU 48.A O no hydrogen 3.306 N/A GLN 53.A NE2 GLU 50.A O no hydrogen 3.410 N/A THR 55.A N ARG 3.A O no hydrogen 2.892 N/A HIS 56.A N ARG 3.A O no hydrogen 3.241 N/A VAL 57.A N LYS 99.A O no hydrogen 2.874 N/A ILE 58.A N LEU 5.A O no hydrogen 2.993 N/A HIS 59.A N VAL 101.A O no hydrogen 2.828 N/A LEU 60.A N THR 7.A O no hydrogen 3.325 N/A LEU 60.A N THR 7.A OG1 no hydrogen 2.836 N/A ALA 61.A N THR 7.A OG1 no hydrogen 2.990 N/A MET 63.A N ASN 81.A OD1 no hydrogen 2.786 N/A ARG 69.A N GLY 66.A O no hydrogen 3.094 N/A LYS 72.A NZ LEU 67.A O no hydrogen 2.706 N/A LYS 72.A NZ ARG 69.A O no hydrogen 3.179 N/A LYS 72.A NZ ASN 131.A OD1 no hydrogen 2.956 N/A PHE 77.A N TYR 73.A O no hydrogen 3.119 N/A TRP 78.A N ASN 74.A O no hydrogen 3.145 N/A ARG 79.A N LEU 75.A O no hydrogen 2.761 N/A LYS 80.A N ASP 76.A O no hydrogen 3.067 N/A ASN 81.A ND2 MET 63.A O no hydrogen 2.770 N/A ASN 81.A ND2 PHE 77.A O no hydrogen 2.874 N/A VAL 82.A N TRP 78.A O no hydrogen 3.026 N/A HIS 83.A N ARG 79.A O no hydrogen 3.098 N/A MET 84.A N LYS 80.A O no hydrogen 3.137 N/A ASN 85.A N ASN 81.A O no hydrogen 2.948 N/A ASP 86.A N VAL 82.A O no hydrogen 2.942 N/A ASN 87.A N HIS 83.A O no hydrogen 2.831 N/A ASN 87.A ND2 LEU 39.A O no hydrogen 2.865 N/A VAL 88.A N MET 84.A O no hydrogen 2.879 N/A LEU 89.A N ASN 85.A O no hydrogen 2.869 N/A HIS 90.A N ASP 86.A O no hydrogen 2.790 N/A SER 91.A N ASN 87.A O no hydrogen 2.943 N/A SER 91.A OG ASN 87.A O no hydrogen 2.888 N/A ALA 92.A N VAL 88.A O no hydrogen 2.926 N/A PHE 93.A N LEU 89.A O no hydrogen 3.001 N/A GLU 94.A N HIS 90.A O no hydrogen 2.998 N/A VAL 95.A N SER 91.A O no hydrogen 3.121 N/A GLY 96.A N PHE 93.A O no hydrogen 2.864 N/A ALA 97.A N ALA 92.A O no hydrogen 2.748 N/A ARG 98.A N THR 55.A O no hydrogen 2.895 N/A LYS 99.A NZ VAL 221.A O no hydrogen 3.220 N/A LYS 99.A NZ LEU 222.A O no hydrogen 2.810 N/A LYS 99.A NZ TYR 225.A O no hydrogen 2.937 N/A VAL 101.A N VAL 57.A O no hydrogen 2.780 N/A SER 102.A N THR 157.A O no hydrogen 3.030 N/A SER 102.A OG HIS 59.A ND1 no hydrogen 3.336 N/A LEU 104.A N VAL 159.A O no hydrogen 2.863 N/A CYS 107.A SG SER 105.A OG no hydrogen 3.398 N/A ILE 108.A N SER 105.A O no hydrogen 3.347 N/A PHE 109.A N THR 106.A O no hydrogen 3.266 N/A ASP 111.A N PRO 126.A O no hydrogen 3.165 N/A LYS 112.A NZ PRO 126.A O no hydrogen 3.135 N/A THR 113.A OG1 THR 114.A O no hydrogen 3.108 N/A ILE 117.A N THR 269.A O no hydrogen 2.842 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 2.928 N/A THR 120.A N ASP 118.A OD1 no hydrogen 2.880 N/A THR 120.A OG1 ASP 118.A OD1 no hydrogen 2.603 N/A MET 121.A N ASP 118.A O no hydrogen 3.031 N/A HIS 123.A NE2 ASP 142.A OD2 no hydrogen 2.663 N/A ASN 124.A N MET 121.A O no hydrogen 3.266 N/A SER 130.A N HIS 128.A ND1 no hydrogen 3.096 N/A ASN 131.A ND2 LEU 67.A O no hydrogen 2.971 N/A SER 135.A N ASN 131.A O no hydrogen 2.910 N/A SER 135.A OG ASN 131.A O no hydrogen 3.284 N/A TYR 136.A N PHE 132.A O no hydrogen 2.763 N/A ALA 137.A N GLY 133.A O no hydrogen 3.036 N/A LYS 138.A N TYR 134.A O no hydrogen 3.060 N/A LYS 138.A NZ CYS 103.A O no hydrogen 2.606 N/A ARG 139.A N SER 135.A O no hydrogen 2.932 N/A ARG 139.A NE ILE 108.A O no hydrogen 2.839 N/A ARG 139.A NH1 GLY 125.A O no hydrogen 2.955 N/A ARG 139.A NH2 ILE 108.A O no hydrogen 3.018 N/A ARG 139.A NH2 GLY 125.A O no hydrogen 2.705 N/A MET 140.A N TYR 136.A O no hydrogen 2.944 N/A ILE 141.A N LYS 138.A O no hydrogen 3.147 N/A VAL 143.A N ARG 139.A O no hydrogen 3.337 N/A GLN 144.A N MET 140.A O no hydrogen 2.741 N/A ASN 145.A N ILE 141.A O no hydrogen 2.846 N/A ARG 146.A N ASP 142.A O no hydrogen 3.028 N/A ARG 146.A NH1 ASP 142.A OD2 no hydrogen 3.204 N/A ALA 147.A N VAL 143.A O no hydrogen 3.037 N/A TYR 148.A N GLN 144.A O no hydrogen 2.938 N/A PHE 149.A N ASN 145.A O no hydrogen 3.215 N/A GLN 150.A N ARG 146.A O no hydrogen 2.978 N/A GLN 151.A N ALA 147.A O no hydrogen 2.986 N/A TYR 152.A N TYR 148.A O no hydrogen 3.009 N/A CYS 154.A N TYR 148.A O no hydrogen 3.416 N/A THR 157.A N VAL 100.A O no hydrogen 2.889 N/A THR 157.A OG1 GLU 227.A O no hydrogen 3.416 N/A VAL 159.A N SER 102.A O no hydrogen 2.862 N/A ILE 160.A N ILE 231.A O no hydrogen 2.782 N/A THR 162.A N LEU 233.A O no hydrogen 3.429 N/A THR 162.A OG1 GLN 207.A O no hydrogen 3.385 N/A THR 162.A OG1 SER 234.A OG no hydrogen 3.231 N/A ASN 163.A N GLN 207.A O no hydrogen 3.034 N/A ASN 163.A ND2 VAL 164.A O no hydrogen 3.181 N/A PHE 165.A N ILE 209.A O no hydrogen 3.003 N/A ASP 169.A N GLY 166.A O no hydrogen 3.292 N/A ASN 170.A N ASP 169.A OD1 no hydrogen 2.658 N/A ASN 170.A ND2 ASP 175.A OD2 no hydrogen 3.213 N/A PHE 171.A N ARG 306.A O no hydrogen 3.046 N/A ASN 172.A N ASN 170.A OD1 no hydrogen 2.981 N/A GLU 174.A N GLU 174.A OE1 no hydrogen 3.245 N/A ASP 175.A N ASN 172.A OD1 no hydrogen 3.004 N/A GLY 181.A N HIS 177.A O no hydrogen 2.957 N/A LEU 182.A N VAL 178.A O no hydrogen 2.897 N/A ILE 183.A N LEU 179.A O no hydrogen 3.122 N/A HIS 184.A N PRO 180.A O no hydrogen 3.157 N/A LYS 185.A N GLY 181.A O no hydrogen 3.043 N/A VAL 186.A N LEU 182.A O no hydrogen 2.934 N/A HIS 187.A N ILE 183.A O no hydrogen 3.061 N/A LEU 188.A N HIS 184.A O no hydrogen 2.845 N/A ALA 189.A N LYS 185.A O no hydrogen 2.746 N/A LYS 190.A N VAL 186.A O no hydrogen 2.997 N/A LYS 190.A NZ MET 254.A O no hydrogen 3.297 N/A SER 192.A N ALA 189.A O no hydrogen 3.232 N/A SER 192.A OG LEU 188.A O no hydrogen 2.869 N/A SER 192.A OG ALA 189.A O no hydrogen 3.446 N/A SER 192.A OG GLY 193.A O no hydrogen 3.566 N/A SER 194.A OG GLY 193.A O no hydrogen 3.341 N/A THR 197.A OG1 THR 261.A O no hydrogen 3.355 N/A TRP 199.A N THR 197.A OG1 no hydrogen 2.822 N/A ARG 205.A N PHE 266.A O no hydrogen 3.065 N/A ARG 205.A NE GLU 240.A OE2 no hydrogen 3.352 N/A ARG 206.A N VAL 241.A O no hydrogen 2.923 N/A GLN 207.A NE2 VAL 235.A O no hydrogen 2.890 N/A GLN 207.A NE2 ALA 270.A O no hydrogen 2.884 N/A ILE 209.A N ASN 163.A O no hydrogen 2.806 N/A TYR 210.A OH GLU 293.A OE1 no hydrogen 3.157 N/A SER 211.A N PHE 165.A O no hydrogen 2.696 N/A ASP 213.A N TYR 210.A O no hydrogen 2.879 N/A LEU 214.A N TYR 210.A O no hydrogen 3.060 N/A ALA 215.A N SER 211.A O no hydrogen 2.858 N/A GLN 216.A N LEU 212.A O no hydrogen 3.356 N/A LEU 217.A N ASP 213.A O no hydrogen 3.135 N/A PHE 218.A N LEU 214.A O no hydrogen 2.881 N/A ILE 219.A N ALA 215.A O no hydrogen 3.045 N/A TRP 220.A N GLN 216.A O no hydrogen 3.131 N/A TRP 220.A NE1 GLU 224.A OE1 no hydrogen 2.755 N/A VAL 221.A N LEU 217.A O no hydrogen 2.846 N/A LEU 222.A N PHE 218.A O no hydrogen 2.982 N/A ARG 223.A N ILE 219.A O no hydrogen 3.013 N/A ARG 223.A NE GLU 27.A OE1 no hydrogen 3.087 N/A GLU 224.A N TRP 220.A O no hydrogen 2.774 N/A TYR 225.A OH GLU 229.A O no hydrogen 2.549 N/A ILE 231.A N ALA 158.A O no hydrogen 3.094 N/A ILE 232.A N GLU 119.A OE2 no hydrogen 2.549 N/A LEU 233.A N ILE 160.A O no hydrogen 2.947 N/A SER 234.A OG THR 162.A OG1 no hydrogen 3.231 N/A SER 234.A OG VAL 235.A O no hydrogen 2.943 N/A ASP 239.A N GLY 236.A O no hydrogen 2.775 N/A VAL 241.A N ARG 206.A O no hydrogen 3.022 N/A SER 242.A OG GLY 202.A O no hydrogen 3.159 N/A ILE 243.A N PRO 204.A O no hydrogen 2.837 N/A LYS 244.A N GLY 202.A O no hydrogen 2.852 N/A LYS 244.A NZ GLU 248.A OE1 no hydrogen 3.378 N/A GLU 245.A N SER 242.A OG no hydrogen 3.034 N/A ALA 246.A N SER 242.A O no hydrogen 2.910 N/A ALA 247.A N ILE 243.A O no hydrogen 2.882 N/A GLU 248.A N LYS 244.A O no hydrogen 2.928 N/A ALA 249.A N GLU 245.A O no hydrogen 3.223 N/A VAL 250.A N ALA 246.A O no hydrogen 3.122 N/A VAL 251.A N ALA 247.A O no hydrogen 2.846 N/A GLU 252.A N GLU 248.A O no hydrogen 3.044 N/A ALA 253.A N ALA 249.A O no hydrogen 2.931 N/A MET 254.A N VAL 250.A O no hydrogen 2.935 N/A ASP 255.A N GLU 252.A O no hydrogen 3.085 N/A PHE 256.A N VAL 251.A O no hydrogen 3.125 N/A THR 261.A OG1 LEU 196.A O no hydrogen 3.119 N/A THR 261.A OG1 VAL 260.A O no hydrogen 2.939 N/A THR 269.A OG1 GLU 240.A OE1 no hydrogen 3.145 N/A ALA 270.A N GLN 207.A OE1 no hydrogen 2.848 N/A SER 271.A N ILE 117.A O no hydrogen 2.944 N/A SER 271.A OG GLU 237.A OE2 no hydrogen 3.512 N/A SER 271.A OG SER 273.A OG no hydrogen 3.062 N/A ASN 272.A N GLU 237.A OE1 no hydrogen 3.066 N/A ASN 272.A ND2 SER 234.A O no hydrogen 2.520 N/A SER 273.A OG SER 271.A OG no hydrogen 3.062 N/A LYS 274.A NZ GLU 227.A OE1 no hydrogen 3.125 N/A LYS 274.A NZ GLU 229.A OE2 no hydrogen 3.029 N/A LYS 274.A NZ PRO 230.A O no hydrogen 2.960 N/A ARG 276.A N ASN 272.A O no hydrogen 2.934 N/A ARG 276.A NH1 LEU 279.A O no hydrogen 2.803 N/A ARG 276.A NH1 PHE 282.A O no hydrogen 2.758 N/A ARG 276.A NH2 PHE 282.A O no hydrogen 3.141 N/A THR 277.A N LYS 274.A O no hydrogen 2.931 N/A THR 277.A OG1 SER 273.A O no hydrogen 3.072 N/A TYR 278.A N LYS 274.A O no hydrogen 3.271 N/A TYR 278.A N LEU 275.A O no hydrogen 3.095 N/A TYR 278.A OH GLU 227.A OE2 no hydrogen 2.912 N/A LEU 279.A N LEU 275.A O no hydrogen 2.767 N/A ARG 283.A NH1 PRO 280.A O no hydrogen 3.133 N/A ARG 283.A NH1 PHE 282.A O no hydrogen 3.252 N/A THR 285.A N ASP 213.A OD2 no hydrogen 3.050 N/A THR 285.A OG1 ASP 213.A OD1 no hydrogen 2.770 N/A THR 285.A OG1 ASP 213.A OD2 no hydrogen 3.270 N/A GLN 289.A NE2 GLU 293.A OE2 no hydrogen 3.056 N/A ALA 290.A N PRO 286.A O no hydrogen 2.862 N/A VAL 291.A N PHE 287.A O no hydrogen 2.765 N/A LYS 292.A N LYS 288.A O no hydrogen 2.954 N/A GLU 293.A N GLN 289.A O no hydrogen 2.893 N/A THR 294.A N ALA 290.A O no hydrogen 3.028 N/A CYS 295.A N VAL 291.A O no hydrogen 2.822 N/A CYS 295.A SG VAL 291.A O no hydrogen 3.343 N/A ALA 296.A N LYS 292.A O no hydrogen 3.016 N/A TRP 297.A N GLU 293.A O no hydrogen 3.034 N/A PHE 298.A N THR 294.A O no hydrogen 2.889 N/A THR 299.A N CYS 295.A O no hydrogen 3.020 N/A THR 299.A OG1 ALA 296.A O no hydrogen 3.189 N/A ASP 300.A N ALA 296.A O no hydrogen 3.012 N/A ASN 301.A N PHE 298.A O no hydrogen 3.243 N/A ASN 301.A ND2 TRP 297.A O no hydrogen 3.029 N/A GLN 304.A N ASN 301.A O no hydrogen 2.923 N/A ALA 305.A N ASN 301.A O no hydrogen 2.983 N/A ARG 306.A NH1 HIS 168.A O no hydrogen 2.742 N/A