Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rkk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N LEU 69.A O no hydrogen 2.885 N/A ARG 5.A NH1.A GLU 66.A OE1 no hydrogen 3.392 N/A PHE 6.A N VAL 67.A O no hydrogen 2.814 N/A ARG 7.A N TYR 114.A O no hydrogen 2.879 N/A PHE 8.A N GLY 65.A O no hydrogen 2.852 N/A VAL 10.A N TRP 63.A O no hydrogen 3.085 N/A VAL 11.A N GLY 119.A O no hydrogen 2.883 N/A VAL 12.A N GLY 61.A O no hydrogen 2.786 N/A VAL 16.A N PRO 13.A O no hydrogen 3.063 N/A ALA 17.A N PRO 13.A O no hydrogen 3.025 N/A GLY 18.A N PRO 14.A O no hydrogen 2.869 N/A ALA 19.A N VAL 16.A O no hydrogen 3.180 N/A GLU 22.A N ARG 83.A O no hydrogen 3.135 N/A LEU 24.A N LEU 81.A O no hydrogen 3.006 N/A VAL 25.A N VAL 41.A O no hydrogen 2.840 N/A VAL 26.A N LYS 79.A O no hydrogen 2.993 N/A GLY 27.A N LEU 32.A O no hydrogen 3.373 N/A SER 28.A N TRP 77.A O no hydrogen 2.907 N/A SER 28.A OG TRP 77.A O no hydrogen 3.501 N/A ARG 29.A NE GLU 31.A OE1 no hydrogen 3.151 N/A ARG 29.A NH2 GLU 31.A OE1 no hydrogen 3.512 N/A ARG 29.A NH2 GLU 31.A OE2 no hydrogen 3.131 N/A ARG 29.A NH2 ALA 70.A O no hydrogen 3.007 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.740 N/A LEU 32.A N ARG 29.A O no hydrogen 3.247 N/A GLY 33.A N PRO 30.A O no hydrogen 3.050 N/A ARG 34.A N ARG 29.A O no hydrogen 2.936 N/A TRP 35.A N GLY 27.A O no hydrogen 2.880 N/A GLU 36.A N GLY 33.A O no hydrogen 2.941 N/A ARG 38.A N GLU 36.A OE2 no hydrogen 3.211 N/A GLY 39.A N GLU 36.A O no hydrogen 2.874 N/A ALA 40.A N PRO 37.A O no hydrogen 3.069 N/A VAL 41.A N VAL 25.A O no hydrogen 2.773 N/A ARG 42.A NE GLU 22.A OE2 no hydrogen 2.876 N/A ARG 42.A NH2 GLU 22.A OE2 no hydrogen 3.027 N/A LEU 43.A N LEU 23.A O no hydrogen 2.771 N/A ARG 44.A N LEU 64.A O no hydrogen 2.773 N/A ALA 46.A N LEU 62.A O no hydrogen 2.912 N/A THR 48.A OG1 GLU 59.A OE2 no hydrogen 2.916 N/A ALA 49.A N LYS 291.A O no hydrogen 3.017 N/A ALA 50.A N THR 48.A OG1 no hydrogen 3.162 N/A GLY 51.A N TYR 149.A O no hydrogen 3.009 N/A ALA 54.A N GLY 51.A O no hydrogen 3.190 N/A LEU 55.A N MET 147.A O no hydrogen 3.406 N/A LEU 57.A N LEU 55.A O no hydrogen 2.806 N/A GLY 61.A N VAL 12.A O no hydrogen 2.699 N/A TRP 63.A N VAL 10.A O no hydrogen 2.927 N/A LEU 64.A N ARG 44.A O no hydrogen 2.794 N/A GLY 65.A N PHE 8.A O no hydrogen 3.128 N/A VAL 67.A N PHE 6.A O no hydrogen 2.953 N/A LEU 69.A N MET 4.A O no hydrogen 2.821 N/A ALA 70.A N GLU 31.A OE2 no hydrogen 3.053 N/A ALA 71.A N SER 2.A O no hydrogen 2.931 N/A PHE 76.A N CYS 102.A O no hydrogen 3.290 N/A TRP 77.A N SER 28.A OG no hydrogen 3.179 N/A TYR 78.A N ARG 100.A O no hydrogen 2.964 N/A LYS 79.A N VAL 26.A O no hydrogen 2.846 N/A LYS 79.A NZ GLU 92.A O no hydrogen 2.979 N/A LYS 79.A NZ GLY 95.A O no hydrogen 2.898 N/A PHE 80.A N GLU 92.A OE1 no hydrogen 2.906 N/A LEU 81.A N LEU 24.A O no hydrogen 2.783 N/A LYS 82.A N SER 90.A O no hydrogen 2.854 N/A ARG 83.A N GLU 22.A O no hydrogen 2.969 N/A ARG 83.A NH2 GLU 22.A OE2 no hydrogen 3.504 N/A GLY 87.A N GLU 84.A O no hydrogen 3.062 N/A SER 90.A N LYS 82.A O no hydrogen 2.836 N/A GLU 92.A N PHE 80.A O no hydrogen 3.174 N/A GLY 93.A N ILE 122.A O no hydrogen 2.770 N/A ASN 94.A N HIS 98.A ND1 no hydrogen 3.312 N/A HIS 98.A N GLY 95.A O no hydrogen 3.269 N/A HIS 98.A ND1 ASN 94.A O no hydrogen 3.111 N/A ASP 99.A N PRO 96.A O no hydrogen 2.822 N/A ARG 100.A N TYR 78.A O no hydrogen 3.011 N/A ARG 100.A NE GLU 92.A OE1 no hydrogen 3.254 N/A ARG 100.A NE GLU 92.A OE2 no hydrogen 3.150 N/A ARG 100.A NH2 GLU 92.A OE2 no hydrogen 2.411 N/A ARG 100.A NH2 HIS 120.A O no hydrogen 2.838 N/A CYS 101.A SG THR 103.A OG1 no hydrogen 3.693 N/A CYS 102.A N PHE 76.A O no hydrogen 2.970 N/A ASN 105.A N TYR 114.A OH no hydrogen 2.961 N/A ASN 107.A N ASN 105.A OD1 no hydrogen 2.798 N/A ASN 108.A N ASN 105.A O no hydrogen 3.190 N/A ASN 108.A ND2 ASN 105.A O no hydrogen 3.576 N/A ASN 108.A ND2 TYR 114.A OH no hydrogen 3.049 N/A LEU 109.A N GLU 106.A O no hydrogen 3.211 N/A VAL 110.A N VAL 113.A O no hydrogen 2.818 N/A VAL 113.A N VAL 110.A O no hydrogen 3.088 N/A TYR 114.A N ARG 5.A O no hydrogen 2.922 N/A TYR 114.A OH ASN 105.A O no hydrogen 3.376 N/A CYS 115.A N ASN 108.A O no hydrogen 2.916 N/A CYS 115.A SG VAL 113.A O no hydrogen 3.552 N/A LEU 116.A N ARG 7.A O no hydrogen 2.998 N/A ILE 118.A N GLN 285.A OE1 no hydrogen 2.974 N/A GLY 119.A N GLY 9.A O no hydrogen 3.056 N/A TRP 121.A N VAL 11.A O no hydrogen 3.005 N/A ILE 122.A N GLU 92.A OE2 no hydrogen 3.091 N/A GLU 123.A N HIS 127.A O no hydrogen 2.909 N/A GLY 126.A N GLU 123.A O no hydrogen 2.754 N/A HIS 127.A N THR 125.A OG1 no hydrogen 3.244 N/A THR 128.A OG1 GLU 130.A OE2 no hydrogen 3.300 N/A ASN 129.A ND2 GLU 123.A OE1 no hydrogen 2.670 N/A HIS 133.A N ASN 129.A O no hydrogen 3.178 N/A THR 134.A N GLU 130.A O no hydrogen 2.942 N/A THR 134.A OG1 GLU 130.A O no hydrogen 3.028 N/A THR 135.A N MET 131.A O no hydrogen 2.787 N/A THR 135.A OG1 MET 131.A O no hydrogen 2.947 N/A ASP 136.A N LYS 132.A O no hydrogen 2.870 N/A PHE 137.A N HIS 133.A O no hydrogen 3.072 N/A TYR 138.A N THR 134.A O no hydrogen 3.132 N/A TYR 138.A OH ASN 193.A OD1 no hydrogen 2.761 N/A PHE 139.A N THR 135.A O no hydrogen 3.010 N/A ASN 140.A N ASP 136.A O no hydrogen 3.070 N/A ILE 141.A N PHE 137.A O no hydrogen 3.208 N/A ALA 142.A N TYR 138.A O no hydrogen 2.934 N/A GLY 143.A N PHE 139.A O no hydrogen 2.720 N/A HIS 144.A N ILE 141.A O no hydrogen 3.035 N/A HIS 144.A ND1 ASN 140.A O no hydrogen 2.728 N/A GLN 145.A N ALA 142.A O no hydrogen 2.936 N/A ALA 146.A N ILE 141.A O no hydrogen 3.150 N/A HIS 148.A N SER 160.A OG no hydrogen 2.842 N/A SER 150.A N LEU 158.A O no hydrogen 2.774 N/A ARG 151.A N ALA 49.A O no hydrogen 3.081 N/A ILE 152.A N ILE 156.A O no hydrogen 2.959 N/A LEU 153.A N ILE 156.A O no hydrogen 3.133 N/A ILE 156.A N LEU 153.A O no hydrogen 3.213 N/A TRP 157.A N VAL 254.A O no hydrogen 2.919 N/A LEU 158.A N SER 150.A O no hydrogen 2.867 N/A GLY 159.A N VAL 256.A O no hydrogen 3.274 N/A SER 160.A N HIS 148.A O no hydrogen 2.901 N/A SER 160.A OG HIS 148.A O no hydrogen 3.327 N/A CYS 161.A N ASN 259.A O no hydrogen 3.246 N/A CYS 161.A SG PRO 162.A O no hydrogen 3.713 N/A CYS 161.A SG SER 194.A OG no hydrogen 3.702 N/A CYS 161.A SG ASN 259.A O no hydrogen 3.777 N/A ARG 163.A N HIS 167.A ND1 no hydrogen 3.086 N/A ARG 163.A NH2 ASN 193.A OD1 no hydrogen 3.173 N/A GLN 164.A NE2 GLN 145.A O no hydrogen 2.885 N/A HIS 167.A N GLN 164.A O no hydrogen 2.950 N/A VAL 168.A N VAL 165.A O no hydrogen 2.916 N/A THR 169.A N VAL 165.A O no hydrogen 3.182 N/A THR 169.A OG1 VAL 165.A O no hydrogen 3.509 N/A ILE 170.A N GLU 166.A O no hydrogen 3.005 N/A LYS 171.A N GLU 166.A O no hydrogen 3.180 N/A LYS 171.A NZ GLY 53.A O no hydrogen 2.852 N/A LEU 172.A N HIS 167.A O no hydrogen 2.958 N/A LYS 173.A N VAL 168.A O no hydrogen 3.024 N/A LYS 173.A NZ GLU 216.A O no hydrogen 3.104 N/A LYS 173.A NZ GLU 216.A OE1 no hydrogen 3.524 N/A HIS 174.A N ILE 170.A O no hydrogen 3.010 N/A HIS 174.A ND1 THR 169.A O no hydrogen 3.018 N/A GLU 175.A N ILE 170.A O no hydrogen 2.892 N/A LEU 176.A N LYS 171.A O no hydrogen 2.967 N/A ILE 178.A N LEU 172.A O no hydrogen 2.903 N/A THR 179.A N ILE 253.A O no hydrogen 2.880 N/A THR 179.A OG1 HIS 252.A ND1 no hydrogen 2.887 N/A THR 179.A OG1 ILE 253.A O no hydrogen 3.456 N/A ALA 180.A N ILE 253.A O no hydrogen 3.205 N/A VAL 181.A N ALA 219.A O no hydrogen 2.777 N/A MET 182.A N TYR 255.A O no hydrogen 2.961 N/A ASN 183.A N ILE 221.A O no hydrogen 2.891 N/A ASN 183.A ND2 GLN 185.A OE1 no hydrogen 3.043 N/A ASN 183.A ND2 TYR 220.A OH no hydrogen 3.029 N/A PHE 184.A N HIS 257.A O no hydrogen 3.102 N/A GLN 185.A N ASN 183.A OD1 no hydrogen 2.947 N/A GLN 185.A NE2 ASN 259.A OD1 no hydrogen 2.991 N/A THR 186.A N ASP 189.A OD2 no hydrogen 2.931 N/A THR 186.A OG1 ASP 189.A OD2 no hydrogen 2.973 N/A ASP 189.A N THR 186.A OG1 no hydrogen 3.387 N/A ILE 190.A N THR 186.A O no hydrogen 3.056 N/A VAL 191.A N GLU 187.A O no hydrogen 3.066 N/A GLN 192.A N TRP 188.A O no hydrogen 2.921 N/A ASN 193.A N ASP 189.A O no hydrogen 2.869 N/A ASN 193.A ND2 ASP 189.A O no hydrogen 3.283 N/A ASN 193.A ND2 ASN 259.A OD1 no hydrogen 2.870 N/A SER 194.A N ILE 190.A O no hydrogen 3.016 N/A SER 194.A OG PRO 162.A O no hydrogen 2.849 N/A SER 195.A OG VAL 191.A O no hydrogen 3.518 N/A CYS 197.A N SER 194.A O no hydrogen 2.943 N/A ASN 198.A N SER 195.A O no hydrogen 3.208 N/A ASN 198.A ND2 GLU 202.A O no hydrogen 2.823 N/A ARG 199.A NH1 GLU 215.A OE1 no hydrogen 2.683 N/A TYR 200.A N ASN 198.A OD1 no hydrogen 3.184 N/A THR 205.A N THR 208.A OG1 no hydrogen 3.317 N/A THR 208.A N THR 205.A O no hydrogen 2.978 N/A THR 208.A OG1 THR 205.A O no hydrogen 3.391 N/A MET 209.A N PRO 206.A O no hydrogen 3.164 N/A ILE 210.A N PRO 206.A O no hydrogen 3.269 N/A LYS 211.A N ASP 207.A O no hydrogen 2.901 N/A LEU 212.A N THR 208.A O no hydrogen 3.058 N/A TYR 213.A N MET 209.A O no hydrogen 2.992 N/A ARG 214.A N ILE 210.A O no hydrogen 3.113 N/A GLU 215.A N LYS 211.A O no hydrogen 3.005 N/A GLU 216.A N LEU 212.A O no hydrogen 2.999 N/A GLY 217.A N ARG 214.A O no hydrogen 3.016 N/A LEU 218.A N TYR 213.A O no hydrogen 2.987 N/A ALA 219.A N THR 179.A O no hydrogen 3.133 N/A ILE 221.A N VAL 181.A O no hydrogen 2.820 N/A TRP 222.A NE1 GLN 185.A O no hydrogen 2.806 N/A MET 223.A N ASN 183.A O no hydrogen 2.793 N/A THR 225.A N PHE 184.A O no hydrogen 2.920 N/A THR 225.A OG1 MET 223.A O no hydrogen 2.835 N/A MET 228.A N ASP 227.A OD1 no hydrogen 2.905 N/A GLY 232.A N SER 229.A OG no hydrogen 3.009 N/A ARG 233.A N SER 229.A O no hydrogen 3.279 N/A ARG 233.A NH1 ASP 298.A OD2 no hydrogen 3.188 N/A ARG 233.A NH2 ASP 227.A OD1 no hydrogen 2.854 N/A VAL 234.A N THR 230.A O no hydrogen 3.043 N/A GLN 235.A N GLU 231.A O no hydrogen 3.003 N/A GLN 235.A NE2 GLU 231.A OE2 no hydrogen 2.705 N/A MET 236.A N GLY 232.A O no hydrogen 3.259 N/A LEU 237.A N ARG 233.A O no hydrogen 2.806 N/A GLN 239.A NE2 GLN 235.A O no hydrogen 2.943 N/A ALA 240.A N MET 236.A O no hydrogen 3.057 N/A VAL 241.A N LEU 237.A O no hydrogen 2.973 N/A CYS 242.A N PRO 238.A O no hydrogen 3.104 N/A LEU 243.A N GLN 239.A O no hydrogen 2.927 N/A LEU 244.A N ALA 240.A O no hydrogen 2.919 N/A HIS 245.A N VAL 241.A O no hydrogen 2.942 N/A ALA 246.A N CYS 242.A O no hydrogen 3.177 N/A LEU 247.A N LEU 243.A O no hydrogen 3.014 N/A LEU 248.A N LEU 244.A O no hydrogen 2.927 N/A GLU 249.A N HIS 245.A O no hydrogen 2.847 N/A LYS 250.A N ALA 246.A O no hydrogen 3.144 N/A GLY 251.A N LEU 248.A O no hydrogen 2.915 N/A HIS 252.A N LEU 247.A O no hydrogen 3.143 N/A HIS 252.A ND1 THR 179.A OG1 no hydrogen 2.887 N/A ILE 253.A N THR 179.A OG1 no hydrogen 3.016 N/A VAL 254.A N ASN 155.A O no hydrogen 2.963 N/A TYR 255.A N ALA 180.A O no hydrogen 2.823 N/A TYR 255.A OH SER 160.A O no hydrogen 2.668 N/A VAL 256.A N TRP 157.A O no hydrogen 2.920 N/A HIS 257.A N MET 182.A O no hydrogen 2.856 N/A HIS 257.A ND1 SER 258.A O no hydrogen 2.938 N/A SER 258.A OG SER 265.A OG no hydrogen 2.725 N/A ASN 259.A ND2 ASP 189.A OD1 no hydrogen 3.073 N/A GLY 261.A N SER 258.A OG no hydrogen 3.385 N/A ARG 264.A NH1 ASP 189.A OD2 no hydrogen 2.794 N/A ARG 264.A NH1 THR 225.A O no hydrogen 2.864 N/A ARG 264.A NH2 ASP 189.A OD2 no hydrogen 3.414 N/A SER 265.A OG SER 258.A OG no hydrogen 2.725 N/A THR 266.A OG1 VAL 262.A O no hydrogen 2.860 N/A ALA 267.A N GLY 263.A O no hydrogen 2.975 N/A ALA 268.A N ARG 264.A O no hydrogen 3.142 N/A VAL 269.A N SER 265.A O no hydrogen 3.094 N/A CYS 270.A N THR 266.A O no hydrogen 2.926 N/A CYS 270.A SG THR 266.A O no hydrogen 3.323 N/A GLY 271.A N ALA 267.A O no hydrogen 2.848 N/A TRP 272.A N ALA 268.A O no hydrogen 3.112 N/A LEU 273.A N VAL 269.A O no hydrogen 3.144 N/A GLN 274.A N CYS 270.A O no hydrogen 2.877 N/A GLN 274.A NE2 GLN 306.A OE1 no hydrogen 3.139 N/A TYR 275.A N GLY 271.A O no hydrogen 2.765 N/A TYR 275.A OH LEU 302.A O no hydrogen 2.519 N/A VAL 276.A N TRP 272.A O no hydrogen 2.952 N/A MET 277.A N TRP 272.A O no hydrogen 3.159 N/A TRP 279.A N LEU 273.A O no hydrogen 3.088 N/A ASN 280.A ND2 LEU 109.A O no hydrogen 2.964 N/A ARG 282.A NE ASN 108.A OD1 no hydrogen 2.840 N/A ARG 282.A NH1 GLN 285.A OE1 no hydrogen 2.800 N/A ARG 282.A NH2 ASN 108.A OD1 no hydrogen 3.001 N/A LYS 283.A N ASN 280.A OD1 no hydrogen 2.827 N/A LYS 283.A NZ ASP 111.A OD2 no hydrogen 3.184 N/A VAL 284.A N ASN 280.A O no hydrogen 3.113 N/A GLN 285.A N LEU 281.A O no hydrogen 2.761 N/A GLN 285.A NE2 ILE 118.A O no hydrogen 3.562 N/A TYR 286.A N ARG 282.A O no hydrogen 3.170 N/A TYR 286.A OH LEU 116.A O no hydrogen 2.677 N/A PHE 287.A N LYS 283.A O no hydrogen 3.235 N/A LEU 288.A N VAL 284.A O no hydrogen 2.950 N/A MET 289.A N GLN 285.A O no hydrogen 3.134 N/A ALA 290.A N TYR 286.A O no hydrogen 3.195 N/A LYS 291.A N PHE 287.A O no hydrogen 3.132 N/A ARG 292.A N LEU 288.A O no hydrogen 2.739 N/A ARG 292.A NE GLY 261.A O no hydrogen 2.821 N/A ARG 292.A NH1 HIS 148.A ND1 no hydrogen 3.066 N/A ARG 292.A NH1 HIS 148.A O no hydrogen 3.527 N/A ARG 292.A NH1 SER 150.A OG no hydrogen 2.845 N/A ARG 292.A NH2 HIS 148.A O no hydrogen 3.029 N/A ARG 292.A NH2 ALA 260.A O no hydrogen 3.022 N/A VAL 295.A N ARG 292.A O no hydrogen 3.042 N/A TYR 296.A N VAL 262.A O no hydrogen 3.048 N/A GLU 299.A N ILE 297.A O no hydrogen 3.078 N/A ALA 301.A N ASP 298.A OD1 no hydrogen 2.912 N/A LEU 302.A N ASP 298.A O no hydrogen 3.052 N/A ALA 303.A N GLU 299.A O no hydrogen 3.034 N/A ARG 304.A N GLU 300.A O no hydrogen 2.979 N/A ARG 304.A NH2 GLU 231.A OE1 no hydrogen 2.416 N/A ALA 305.A N ALA 301.A O no hydrogen 2.943 N/A PHE 309.A N ALA 305.A O no hydrogen 3.080 N/A PHE 310.A N GLN 306.A O no hydrogen 3.158 N/A GLN 311.A N GLU 307.A O no hydrogen 2.774 N/A LYS 312.A N ASP 308.A O no hydrogen 2.977 N/A LYS 312.A NZ GLN 239.A OE1 no hydrogen 2.803 N/A LYS 312.A NZ ASP 308.A OD2 no hydrogen 2.853 N/A PHE 313.A N PHE 309.A O no hydrogen 2.783 N/A GLY 314.A N PHE 310.A O no hydrogen 3.086 N/A