Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ky2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A ND1 MET 2.A O no hydrogen 2.832 N/A HIS 1.A NE2 SER 61.A O no hydrogen 2.636 N/A MET 2.A N HIS 1.A ND1 no hydrogen 2.634 N/A ALA 3.A N TYR 8.A OH no hydrogen 3.004 N/A GLU 7.A N GLY 4.A O no hydrogen 2.882 N/A TYR 8.A N VAL 5.A O no hydrogen 3.427 N/A TYR 8.A OH GLU 65.A OE2 no hydrogen 3.148 N/A ARG 15.A N ASP 13.A OD1 no hydrogen 3.213 N/A TRP 16.A N ASP 13.A O no hydrogen 3.029 N/A GLU 17.A N ASP 13.A O no hydrogen 2.757 N/A LEU 18.A N ALA 93.A O no hydrogen 2.883 N/A ARG 20.A NE ASP 97.A O no hydrogen 2.935 N/A ARG 20.A NH1 PRO 99.A O no hydrogen 3.087 N/A ARG 20.A NH2 GLN 96.A O no hydrogen 2.964 N/A ARG 20.A NH2 PRO 99.A O no hydrogen 3.052 N/A ARG 22.A N PRO 19.A O no hydrogen 3.056 N/A ARG 22.A NE ASP 21.A OD1 no hydrogen 2.622 N/A ARG 22.A NH2 ASP 21.A O no hydrogen 3.330 N/A LEU 23.A N ARG 20.A O no hydrogen 2.999 N/A VAL 24.A N GLU 39.A O no hydrogen 2.882 N/A LEU 29.A N VAL 35.A O no hydrogen 2.773 N/A GLY 30.A N VAL 35.A O no hydrogen 3.160 N/A GLY 32.A N GLY 33.A O no hydrogen 2.989 N/A GLN 34.A N MET 58.A O no hydrogen 2.697 N/A VAL 35.A N GLY 30.A O no hydrogen 3.041 N/A VAL 36.A N VAL 56.A O no hydrogen 3.029 N/A LEU 37.A N LYS 27.A O no hydrogen 2.749 N/A ALA 38.A N VAL 54.A O no hydrogen 2.912 N/A GLU 39.A N VAL 24.A O no hydrogen 3.114 N/A ALA 40.A N THR 52.A O no hydrogen 2.957 N/A ILE 41.A N ARG 22.A O no hydrogen 2.834 N/A GLY 42.A N ARG 50.A O no hydrogen 3.010 N/A ASP 46.A N ASP 44.A OD1 no hydrogen 3.125 N/A LYS 47.A N ASP 44.A O no hydrogen 2.734 N/A ARG 50.A N LYS 47.A O no hydrogen 3.499 N/A THR 52.A N ALA 40.A O no hydrogen 3.035 N/A VAL 54.A N ALA 38.A O no hydrogen 2.759 N/A ALA 55.A N VAL 104.A O no hydrogen 3.008 N/A VAL 56.A N VAL 36.A O no hydrogen 2.820 N/A LYS 57.A N VAL 102.A O no hydrogen 2.934 N/A LYS 57.A NZ GLU 74.A OE1 no hydrogen 3.212 N/A LYS 57.A NZ GLU 74.A OE2 no hydrogen 2.704 N/A MET 58.A N GLN 34.A O no hydrogen 2.794 N/A THR 64.A N ASP 67.A OD1 no hydrogen 3.025 N/A ASP 67.A N THR 64.A OG1 no hydrogen 3.204 N/A SER 69.A N GLU 65.A O no hydrogen 3.347 N/A SER 69.A OG GLU 65.A O no hydrogen 3.318 N/A SER 69.A OG LYS 66.A O no hydrogen 2.636 N/A ASP 70.A N LYS 66.A O no hydrogen 2.838 N/A LEU 71.A N ASP 67.A O no hydrogen 3.189 N/A ILE 72.A N LEU 68.A O no hydrogen 3.108 N/A SER 73.A N SER 69.A O no hydrogen 2.853 N/A GLU 74.A N ASP 70.A O no hydrogen 2.943 N/A MET 75.A N LEU 71.A O no hydrogen 3.077 N/A GLU 76.A N ILE 72.A O no hydrogen 2.892 N/A MET 77.A N SER 73.A O no hydrogen 2.873 N/A MET 78.A N GLU 74.A O no hydrogen 2.843 N/A LYS 79.A N MET 75.A O no hydrogen 3.236 N/A LYS 79.A NZ ASP 13.A OD2 no hydrogen 2.879 N/A LYS 79.A NZ GLU 76.A OE1 no hydrogen 3.394 N/A LYS 79.A NZ GLU 76.A OE2 no hydrogen 3.305 N/A MET 80.A N GLU 76.A O no hydrogen 3.077 N/A ILE 81.A N MET 77.A O no hydrogen 2.917 N/A GLY 82.A N MET 78.A O no hydrogen 3.010 N/A LYS 83.A NZ LEU 90.A O no hydrogen 2.825 N/A HIS 84.A N ASN 89.A OD1 no hydrogen 3.116 N/A ASN 86.A N HIS 84.A ND1 no hydrogen 3.034 N/A ASN 86.A ND2 MET 180.A O no hydrogen 3.178 N/A ILE 87.A N HIS 84.A O no hydrogen 3.056 N/A ILE 88.A N ILE 182.A O no hydrogen 2.838 N/A ASN 89.A N GLU 105.A OE2 no hydrogen 3.035 N/A ASN 89.A ND2 HIS 84.A O no hydrogen 3.026 N/A ASN 89.A ND2 GLU 105.A OE2 no hydrogen 2.614 N/A LEU 91.A N ILE 103.A O no hydrogen 2.721 N/A GLY 92.A N ILE 103.A O no hydrogen 3.193 N/A ALA 93.A N TRP 16.A O no hydrogen 2.947 N/A CYS 94.A N TYR 101.A O no hydrogen 2.815 N/A CYS 94.A SG LEU 18.A O no hydrogen 3.264 N/A THR 95.A N GLU 17.A OE2 no hydrogen 2.951 N/A THR 95.A OG1 GLU 17.A OE1 no hydrogen 2.629 N/A TYR 101.A N CYS 94.A O no hydrogen 2.988 N/A VAL 102.A N LYS 57.A O no hydrogen 3.003 N/A ILE 103.A N GLY 92.A O no hydrogen 2.798 N/A VAL 104.A N ALA 55.A O no hydrogen 3.020 N/A GLU 105.A N ASN 89.A O no hydrogen 2.987 N/A SER 108.A OG GLU 176.A OE1 no hydrogen 2.884 N/A LYS 109.A N VAL 174.A O no hydrogen 2.939 N/A LYS 109.A NZ ASN 178.A OD1 no hydrogen 2.818 N/A GLY 110.A N ALA 107.A O no hydrogen 3.363 N/A LEU 112.A N VAL 172.A O no hydrogen 2.566 N/A GLU 114.A N ASN 111.A OD1 no hydrogen 2.827 N/A TYR 115.A N ASN 111.A O no hydrogen 3.123 N/A TYR 115.A OH ASN 178.A OD1 no hydrogen 3.009 N/A LEU 116.A N LEU 112.A O no hydrogen 2.923 N/A GLN 117.A N ARG 113.A O no hydrogen 3.041 N/A GLN 117.A NE2 GLY 240.A O no hydrogen 2.883 N/A ALA 118.A N GLU 114.A O no hydrogen 3.103 N/A ARG 119.A N LEU 116.A O no hydrogen 2.668 N/A ARG 119.A NH1 TYR 115.A O no hydrogen 2.761 N/A ARG 120.A N GLN 117.A O no hydrogen 3.335 N/A ARG 120.A NE LEU 239.A O no hydrogen 2.740 N/A ARG 120.A NH1 TYR 128.A O no hydrogen 3.275 N/A ARG 120.A NH2 THR 238.A O no hydrogen 3.386 N/A ARG 120.A NH2 LEU 239.A O no hydrogen 2.998 N/A ASN 129.A ND2 ARG 120.A O no hydrogen 3.289 N/A ASN 133.A N SER 131.A OG no hydrogen 2.902 N/A GLU 135.A N ALA 118.A O no hydrogen 2.878 N/A SER 139.A N ASP 142.A OD1 no hydrogen 3.181 N/A SER 139.A OG ASN 306.A OD1 no hydrogen 2.734 N/A LYS 141.A NZ VAL 301.A O no hydrogen 2.639 N/A LYS 141.A NZ THR 304.A O no hydrogen 2.812 N/A ASP 142.A N SER 139.A OG no hydrogen 3.124 N/A LEU 143.A N SER 139.A O no hydrogen 3.270 N/A VAL 144.A N SER 140.A O no hydrogen 3.383 N/A SER 145.A N LYS 141.A O no hydrogen 2.711 N/A CYS 146.A N ASP 142.A O no hydrogen 2.928 N/A ALA 147.A N LEU 143.A O no hydrogen 3.011 N/A TYR 148.A N VAL 144.A O no hydrogen 2.839 N/A GLN 149.A N SER 145.A O no hydrogen 3.116 N/A GLN 149.A NE2 SER 145.A O no hydrogen 3.324 N/A VAL 150.A N CYS 146.A O no hydrogen 3.253 N/A ALA 151.A N ALA 147.A O no hydrogen 2.984 N/A ARG 152.A N TYR 148.A O no hydrogen 2.714 N/A GLY 153.A N GLN 149.A O no hydrogen 2.904 N/A MET 154.A N VAL 150.A O no hydrogen 2.929 N/A GLU 155.A N ALA 151.A O no hydrogen 2.824 N/A TYR 156.A N ARG 152.A O no hydrogen 3.193 N/A TYR 156.A OH ILE 81.A O no hydrogen 2.675 N/A LEU 157.A N GLY 153.A O no hydrogen 2.961 N/A ALA 158.A N MET 154.A O no hydrogen 2.727 N/A SER 159.A N GLU 155.A O no hydrogen 3.024 N/A SER 159.A OG TYR 156.A O no hydrogen 2.434 N/A LYS 160.A N LEU 157.A O no hydrogen 3.189 N/A LYS 161.A N ALA 158.A O no hydrogen 3.066 N/A CYS 162.A N LEU 157.A O no hydrogen 2.824 N/A CYS 162.A SG PHE 185.A O no hydrogen 3.243 N/A HIS 164.A N ASP 225.A OD1 no hydrogen 3.042 N/A HIS 164.A NE2 ALA 183.A O no hydrogen 2.605 N/A ARG 165.A N ASP 225.A OD2 no hydrogen 3.047 N/A ASP 166.A N HIS 164.A ND1 no hydrogen 3.253 N/A ALA 169.A N GLU 235.A OE1 no hydrogen 3.145 N/A ARG 170.A NH1 GLU 114.A OE1 no hydrogen 3.194 N/A ASN 171.A N ALA 168.A O no hydrogen 3.072 N/A ASN 171.A ND2 ASP 166.A O no hydrogen 2.597 N/A VAL 172.A N ALA 169.A O no hydrogen 2.880 N/A LEU 173.A N LYS 181.A O no hydrogen 2.976 N/A VAL 174.A N GLY 110.A O no hydrogen 2.902 N/A THR 175.A N VAL 179.A O no hydrogen 3.026 N/A THR 175.A OG1 VAL 179.A O no hydrogen 3.539 N/A ASN 178.A N THR 175.A O no hydrogen 3.031 N/A VAL 179.A N THR 175.A OG1 no hydrogen 2.867 N/A MET 180.A N GLN 149.A OE1 no hydrogen 2.816 N/A LYS 181.A N LEU 173.A O no hydrogen 2.900 N/A LYS 181.A NZ LYS 85.A O no hydrogen 2.929 N/A LYS 181.A NZ ILE 87.A O no hydrogen 3.329 N/A LYS 181.A NZ GLU 105.A OE2 no hydrogen 2.841 N/A ILE 182.A N ASN 86.A O no hydrogen 2.934 N/A ALA 183.A N ASN 171.A O no hydrogen 2.905 N/A ARG 189.A NH2 ARG 218.A O no hydrogen 3.046 N/A HIS 192.A N ASP 190.A OD1 no hydrogen 2.716 N/A TYR 197.A OH GLU 250.A OE2 no hydrogen 2.567 N/A LYS 198.A N ASP 195.A O no hydrogen 2.801 N/A THR 200.A N ARG 204.A O no hydrogen 2.748 N/A THR 200.A OG1 ARG 204.A O no hydrogen 3.282 N/A GLY 203.A N THR 200.A O no hydrogen 2.749 N/A ARG 204.A N THR 200.A OG1 no hydrogen 2.870 N/A ARG 204.A NH2 ASP 166.A OD2 no hydrogen 2.661 N/A LYS 208.A N LEU 205.A O no hydrogen 3.234 N/A TRP 209.A N PRO 206.A O no hydrogen 3.191 N/A TRP 209.A NE1 GLU 235.A OE1 no hydrogen 2.790 N/A MET 210.A N VAL 207.A O no hydrogen 3.357 N/A GLU 213.A N GLU 213.A OE2 no hydrogen 2.689 N/A LEU 215.A N ALA 211.A O no hydrogen 2.721 N/A LEU 215.A N PRO 212.A O no hydrogen 3.192 N/A PHE 216.A N PRO 212.A O no hydrogen 2.760 N/A ASP 217.A N GLU 213.A O no hydrogen 2.912 N/A ARG 218.A NH1 ALA 214.A O no hydrogen 3.395 N/A ARG 218.A NH1 TYR 220.A OH no hydrogen 2.738 N/A ILE 219.A N GLU 213.A O no hydrogen 3.221 N/A THR 221.A N SER 224.A OG no hydrogen 2.723 N/A THR 221.A OG1 GLN 223.A OE1 no hydrogen 3.513 N/A SER 224.A N THR 221.A OG1 no hydrogen 3.378 N/A SER 224.A OG THR 221.A O no hydrogen 2.566 N/A ASP 225.A N THR 221.A O no hydrogen 3.224 N/A VAL 226.A N HIS 222.A O no hydrogen 3.072 N/A TRP 227.A N GLN 223.A O no hydrogen 3.205 N/A SER 228.A N SER 224.A O no hydrogen 3.196 N/A SER 228.A OG TRP 209.A O no hydrogen 2.779 N/A SER 228.A OG SER 224.A O no hydrogen 3.356 N/A PHE 229.A N ASP 225.A O no hydrogen 2.885 N/A GLY 230.A N VAL 226.A O no hydrogen 3.055 N/A GLY 230.A N TRP 227.A O no hydrogen 2.745 N/A VAL 231.A N TRP 227.A O no hydrogen 3.122 N/A LEU 232.A N SER 228.A O no hydrogen 2.786 N/A LEU 233.A N PHE 229.A O no hydrogen 2.823 N/A TRP 234.A N GLY 230.A O no hydrogen 3.193 N/A TRP 234.A NE1 ASP 263.A O no hydrogen 3.241 N/A GLU 235.A N VAL 231.A O no hydrogen 2.981 N/A ILE 236.A N LEU 232.A O no hydrogen 2.984 N/A PHE 237.A N LEU 233.A O no hydrogen 3.184 N/A THR 238.A N GLU 235.A O no hydrogen 3.198 N/A THR 238.A OG1 TRP 234.A O no hydrogen 2.748 N/A THR 238.A OG1 GLU 235.A O no hydrogen 2.783 N/A LEU 239.A N ILE 236.A O no hydrogen 2.994 N/A GLY 240.A N GLU 235.A O no hydrogen 2.872 N/A GLY 241.A N THR 238.A OG1 no hydrogen 3.025 N/A VAL 247.A N TYR 244.A O no hydrogen 3.371 N/A LEU 252.A N PRO 248.A O no hydrogen 2.996 N/A LEU 252.A N VAL 249.A O no hydrogen 3.083 N/A LYS 254.A NZ GLU 258.A OE2 no hydrogen 3.383 N/A LEU 255.A N GLU 251.A O no hydrogen 3.071 N/A LEU 256.A N LEU 252.A O no hydrogen 2.949 N/A LYS 257.A N PHE 253.A O no hydrogen 3.128 N/A GLU 258.A N LYS 254.A O no hydrogen 2.859 N/A GLY 259.A N LEU 256.A O no hydrogen 3.065 N/A HIS 260.A N LEU 255.A O no hydrogen 3.304 N/A ARG 261.A NE TRP 280.A O no hydrogen 2.671 N/A ARG 261.A NH1 HIS 260.A O no hydrogen 2.829 N/A ARG 261.A NH2 TRP 280.A O no hydrogen 2.861 N/A LYS 264.A NZ PRO 265.A O no hydrogen 2.995 N/A LYS 264.A NZ CYS 268.A O no hydrogen 2.819 N/A ASN 267.A ND2 GLU 125.A OE1 no hydrogen 2.731 N/A ASN 267.A ND2 GLU 125.A OE2 no hydrogen 3.337 N/A CYS 268.A SG THR 269.A O no hydrogen 3.678 N/A LEU 272.A N THR 269.A OG1 no hydrogen 3.170 N/A TYR 273.A N THR 269.A O no hydrogen 3.062 N/A TYR 273.A OH MET 262.A O no hydrogen 2.741 N/A MET 274.A N ASN 270.A O no hydrogen 2.829 N/A MET 275.A N GLU 271.A O no hydrogen 3.201 N/A MET 276.A N LEU 272.A O no hydrogen 3.274 N/A ARG 277.A N TYR 273.A O no hydrogen 2.963 N/A ASP 278.A N MET 274.A O no hydrogen 2.892 N/A CYS 279.A N MET 275.A O no hydrogen 3.036 N/A CYS 279.A SG MET 275.A O no hydrogen 3.133 N/A TRP 280.A N MET 276.A O no hydrogen 2.980 N/A HIS 281.A N ASP 278.A O no hydrogen 3.396 N/A GLN 286.A N VAL 283.A O no hydrogen 2.872 N/A GLN 286.A NE2 SER 285.A OG no hydrogen 2.892 N/A ARG 287.A N PRO 284.A O no hydrogen 3.117 N/A ARG 287.A NE HIS 281.A O no hydrogen 2.981 N/A ARG 287.A NH1 GLU 213.A OE1 no hydrogen 2.903 N/A ARG 287.A NH1 GLN 223.A O no hydrogen 2.907 N/A ARG 287.A NH2 GLU 213.A OE1 no hydrogen 3.184 N/A ARG 287.A NH2 GLU 213.A OE2 no hydrogen 2.832 N/A ARG 287.A NH2 HIS 281.A O no hydrogen 3.416 N/A GLN 292.A N THR 289.A OG1 no hydrogen 3.352 N/A LEU 293.A N THR 289.A O no hydrogen 2.995 N/A VAL 294.A N PHE 290.A O no hydrogen 2.866 N/A GLU 295.A N LYS 291.A O no hydrogen 3.225 N/A ASP 296.A N GLN 292.A O no hydrogen 2.881 N/A LEU 297.A N LEU 293.A O no hydrogen 3.023 N/A ASP 298.A N VAL 294.A O no hydrogen 3.037 N/A ARG 299.A N GLU 295.A O no hydrogen 3.007 N/A ARG 299.A NH1 GLU 271.A OE2 no hydrogen 2.901 N/A ARG 299.A NH2 GLU 271.A OE2 no hydrogen 3.318 N/A ILE 300.A N ASP 296.A O no hydrogen 2.825 N/A VAL 301.A N LEU 297.A O no hydrogen 2.704 N/A ALA 302.A N ASP 298.A O no hydrogen 3.229 N/A LEU 303.A N ARG 299.A O no hydrogen 3.249 N/A THR 304.A N ILE 300.A O no hydrogen 2.630 N/A THR 304.A OG1 ILE 300.A O no hydrogen 2.698 N/A GLN 307.A N SER 305.A OG no hydrogen 3.094 N/A