Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ckw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N ILE 18.A O no hydrogen 3.019 N/A THR 6.A OG1 ASN 20.A OD1 no hydrogen 2.859 N/A LEU 8.A N LYS 16.A O no hydrogen 2.589 N/A GLU 9.A N GLU 9.A OE2 no hydrogen 2.704 N/A ILE 11.A N VAL 14.A O no hydrogen 2.870 N/A GLU 13.A N ILE 30.A O no hydrogen 3.059 N/A PHE 15.A N ILE 28.A O no hydrogen 2.735 N/A LYS 16.A N GLU 9.A O no hydrogen 2.902 N/A LYS 16.A NZ GLU 9.A OE1 no hydrogen 3.107 N/A GLY 17.A N VAL 26.A O no hydrogen 2.829 N/A ILE 18.A N THR 6.A O no hydrogen 3.078 N/A ASP 19.A N LYS 24.A O no hydrogen 2.814 N/A ASN 20.A N LEU 4.A O no hydrogen 3.051 N/A ASN 20.A ND2 GLU 3.A O no hydrogen 2.886 N/A ARG 21.A N ASP 19.A OD2 no hydrogen 2.902 N/A THR 22.A N ASP 19.A O no hydrogen 3.287 N/A GLN 23.A N ASP 19.A O no hydrogen 2.653 N/A GLN 23.A NE2 ASN 20.A O no hydrogen 3.619 N/A LYS 24.A N THR 22.A OG1 no hydrogen 3.202 N/A VAL 26.A N GLY 17.A O no hydrogen 2.904 N/A ALA 27.A N MET 71.A O no hydrogen 2.866 N/A ILE 28.A N PHE 15.A O no hydrogen 2.778 N/A LYS 29.A N ILE 69.A O no hydrogen 2.988 N/A ILE 30.A N GLU 13.A O no hydrogen 2.862 N/A ILE 31.A N LEU 67.A O no hydrogen 2.999 N/A LEU 33.A N THR 65.A O no hydrogen 3.005 N/A GLU 34.A N ASP 32.A OD1 no hydrogen 3.210 N/A GLN 40.A N ILE 36.A O no hydrogen 2.879 N/A GLN 41.A N GLU 37.A O no hydrogen 3.047 N/A GLU 42.A N ASP 38.A O no hydrogen 3.128 N/A ILE 43.A N ILE 39.A O no hydrogen 3.158 N/A THR 44.A N GLN 40.A O no hydrogen 3.268 N/A VAL 45.A N GLN 41.A O no hydrogen 3.196 N/A LEU 46.A N GLU 42.A O no hydrogen 3.101 N/A SER 47.A N.A ILE 43.A O no hydrogen 3.262 N/A SER 47.A N.B ILE 43.A O no hydrogen 3.208 N/A SER 47.A OG.A THR 44.A O no hydrogen 2.924 N/A SER 47.A OG.B ILE 43.A O no hydrogen 3.129 N/A SER 47.A OG.B THR 44.A O no hydrogen 2.832 N/A GLN 48.A N.B THR 44.A O no hydrogen 3.166 N/A GLN 48.A N.B VAL 45.A O no hydrogen 3.094 N/A CYS 49.A N.A LEU 46.A O no hydrogen 3.469 N/A CYS 49.A N.B LEU 46.A O no hydrogen 3.208 N/A CYS 49.A SG.B VAL 45.A O no hydrogen 3.300 N/A ASP 50.A N.A TYR 106.A OH no hydrogen 3.235 N/A ASP 50.A N.B TYR 106.A OH no hydrogen 2.639 N/A TYR 53.A N SER 51.A OG.A no hydrogen 3.371 N/A TYR 53.A N SER 51.A OG.B no hydrogen 3.002 N/A VAL 54.A N SER 51.A O.A no hydrogen 3.137 N/A VAL 54.A N SER 51.A O.B no hydrogen 3.232 N/A THR 55.A N LEU 132.A O no hydrogen 3.041 N/A LYS 56.A N GLU 72.A OE1 no hydrogen 2.772 N/A TYR 57.A OH SER 60.A OG no hydrogen 2.838 N/A TYR 58.A N ILE 70.A O no hydrogen 2.608 N/A SER 60.A OG TYR 57.A OH no hydrogen 2.838 N/A TYR 61.A N TRP 68.A O no hydrogen 2.764 N/A LYS 63.A N LYS 66.A O no hydrogen 2.753 N/A THR 65.A OG1 ASP 64.A OD1 no hydrogen 3.342 N/A THR 65.A OG1 ASP 64.A OD2 no hydrogen 3.528 N/A LYS 66.A N LYS 63.A O no hydrogen 2.724 N/A LEU 67.A N ILE 31.A O no hydrogen 2.955 N/A TRP 68.A N TYR 61.A O no hydrogen 2.705 N/A ILE 69.A N LYS 29.A O no hydrogen 2.795 N/A ILE 70.A N GLY 59.A O no hydrogen 2.825 N/A MET 71.A N ALA 27.A O no hydrogen 2.800 N/A GLU 72.A N LYS 56.A O no hydrogen 2.811 N/A GLY 76.A N LEU 124.A O no hydrogen 2.742 N/A SER 78.A N ASP 81.A OD1 no hydrogen 2.974 N/A ALA 79.A N VAL 122.A O no hydrogen 2.711 N/A LEU 80.A N ALA 119.A O no hydrogen 3.247 N/A ASP 81.A N SER 78.A OG no hydrogen 3.030 N/A LEU 82.A N SER 78.A O no hydrogen 3.054 N/A LEU 83.A N ALA 79.A O no hydrogen 3.281 N/A LEU 83.A N LEU 80.A O no hydrogen 3.264 N/A GLU 84.A N ASP 81.A O no hydrogen 2.989 N/A GLY 86.A N LEU 83.A O no hydrogen 3.192 N/A ASP 89.A N GLN 92.A OE1 no hydrogen 3.029 N/A GLN 92.A N ASP 89.A OD2 no hydrogen 3.052 N/A ILE 93.A N ASP 89.A O no hydrogen 2.991 N/A ALA 94.A N GLU 90.A O no hydrogen 2.869 N/A THR 95.A N THR 91.A O no hydrogen 2.906 N/A THR 95.A OG1 THR 91.A O no hydrogen 2.612 N/A ILE 96.A N GLN 92.A O no hydrogen 3.052 N/A LEU 97.A N ILE 93.A O no hydrogen 2.863 N/A ARG 98.A N ALA 94.A O no hydrogen 2.786 N/A ARG 98.A NE GLU 99.A OE1 no hydrogen 3.123 N/A ARG 98.A NH1 GLU 99.A OE1 no hydrogen 3.151 N/A ARG 98.A NH1 LYS 236.A O no hydrogen 2.994 N/A GLU 99.A N THR 95.A O no hydrogen 3.151 N/A ILE 100.A N ILE 96.A O no hydrogen 3.030 N/A LEU 101.A N LEU 97.A O no hydrogen 2.901 N/A LYS 102.A N ARG 98.A O no hydrogen 3.095 N/A LYS 102.A NZ GLU 99.A OE1 no hydrogen 2.705 N/A GLY 103.A N GLU 99.A O no hydrogen 3.062 N/A LEU 104.A N ILE 100.A O no hydrogen 2.767 N/A ASP 105.A N LEU 101.A O no hydrogen 2.670 N/A TYR 106.A N LYS 102.A O no hydrogen 2.911 N/A LEU 107.A N GLY 103.A O no hydrogen 2.979 N/A HIS 108.A N LEU 104.A O no hydrogen 2.689 N/A HIS 108.A NE2 ASP 158.A OD1 no hydrogen 2.874 N/A SER 109.A N ASP 105.A O no hydrogen 2.918 N/A SER 109.A OG ASP 105.A O no hydrogen 3.275 N/A SER 109.A OG TYR 106.A O no hydrogen 2.792 N/A GLU 110.A N TYR 106.A O no hydrogen 3.151 N/A GLU 110.A N LEU 107.A O no hydrogen 3.050 N/A LYS 111.A N HIS 108.A O no hydrogen 3.373 N/A LYS 112.A N LEU 107.A O no hydrogen 2.848 N/A HIS 114.A N ASP 158.A OD1 no hydrogen 2.786 N/A HIS 114.A NE2 ALA 133.A O no hydrogen 2.716 N/A ARG 115.A N ASP 158.A OD2 no hydrogen 2.828 N/A ARG 115.A NH1 TYR 153.A OH no hydrogen 2.829 N/A ASP 116.A N HIS 114.A ND1 no hydrogen 3.038 N/A LYS 118.A NZ THR 139.A OG1 no hydrogen 2.758 N/A ALA 119.A N GLU 168.A OE2 no hydrogen 2.971 N/A ASN 121.A N LYS 118.A O no hydrogen 2.902 N/A ASN 121.A ND2 ASP 116.A O no hydrogen 2.689 N/A VAL 122.A N ALA 119.A O no hydrogen 3.207 N/A LEU 123.A N LYS 131.A O no hydrogen 2.845 N/A LEU 124.A N GLY 77.A O no hydrogen 2.863 N/A SER 125.A N GLU 129.A O no hydrogen 2.868 N/A SER 125.A OG GLU 129.A OE1 no hydrogen 2.649 N/A HIS 127.A N SER 125.A OG no hydrogen 3.220 N/A GLY 128.A N SER 125.A O no hydrogen 2.955 N/A GLU 129.A N SER 125.A OG no hydrogen 3.142 N/A LYS 131.A N LEU 123.A O no hydrogen 2.827 N/A LYS 131.A NZ PRO 52.A O no hydrogen 3.022 N/A LYS 131.A NZ GLU 72.A OE2 no hydrogen 2.743 N/A LEU 132.A N TYR 53.A O no hydrogen 2.745 N/A ALA 133.A N ASN 121.A O no hydrogen 2.803 N/A THR 139.A OG1 ASP 116.A OD1 no hydrogen 2.521 N/A TRP 142.A N THR 139.A O no hydrogen 2.886 N/A TRP 142.A NE1 GLU 168.A OE2 no hydrogen 2.965 N/A MET 143.A N PRO 140.A O no hydrogen 3.059 N/A GLU 146.A N GLU 146.A OE2 no hydrogen 2.815 N/A ILE 148.A N ALA 144.A O no hydrogen 3.150 N/A LYS 149.A N PRO 145.A O no hydrogen 3.069 N/A GLN 150.A N VAL 147.A O no hydrogen 3.030 N/A SER 151.A N GLU 146.A O no hydrogen 2.957 N/A SER 151.A OG ALA 152.A O no hydrogen 3.293 N/A LYS 156.A N ASP 154.A OD1 no hydrogen 3.104 N/A LYS 156.A NZ PRO 216.A O no hydrogen 3.560 N/A LYS 156.A NZ ARG 219.A O no hydrogen 2.910 N/A ALA 157.A N ASP 154.A O no hydrogen 3.101 N/A ASP 158.A N SER 155.A O no hydrogen 3.130 N/A TRP 160.A N LYS 156.A O no hydrogen 3.226 N/A SER 161.A N ALA 157.A O no hydrogen 3.118 N/A SER 161.A OG TRP 142.A O no hydrogen 2.639 N/A SER 161.A OG ALA 157.A O no hydrogen 3.488 N/A LEU 162.A N ASP 158.A O no hydrogen 2.781 N/A GLY 163.A N ILE 159.A O no hydrogen 3.047 N/A ILE 164.A N TRP 160.A O no hydrogen 3.077 N/A THR 165.A N SER 161.A O no hydrogen 2.878 N/A THR 165.A OG1 SER 161.A O no hydrogen 2.753 N/A ALA 166.A N LEU 162.A O no hydrogen 2.801 N/A ILE 167.A N GLY 163.A O no hydrogen 3.127 N/A GLU 168.A N ILE 164.A O no hydrogen 2.895 N/A LEU 169.A N THR 165.A O no hydrogen 2.815 N/A ALA 170.A N ALA 166.A O no hydrogen 3.085 N/A ARG 171.A N ILE 167.A O no hydrogen 2.780 N/A ARG 171.A NH2 GLU 197.A O no hydrogen 3.079 N/A GLY 172.A N GLU 168.A O no hydrogen 2.647 N/A LEU 179.A N HIS 176.A O no hydrogen 2.950 N/A MET 182.A N HIS 180.A ND1 no hydrogen 3.035 N/A VAL 184.A N HIS 180.A O no hydrogen 3.103 N/A LEU 185.A N PRO 181.A O no hydrogen 3.000 N/A PHE 186.A N LYS 183.A O no hydrogen 3.130 N/A LEU 187.A N LYS 183.A O no hydrogen 3.046 N/A ILE 188.A N VAL 184.A O no hydrogen 3.154 N/A LYS 190.A N PHE 186.A O no hydrogen 3.265 N/A ASN 191.A N LEU 187.A O no hydrogen 2.689 N/A THR 195.A OG1 GLU 197.A OE1 no hydrogen 3.337 N/A TYR 200.A N GLY 198.A O no hydrogen 3.033 N/A TYR 200.A OH ALA 170.A O no hydrogen 2.948 N/A SER 201.A N GLU 90.A OE1 no hydrogen 2.812 N/A SER 201.A OG GLU 90.A OE2 no hydrogen 2.505 N/A LYS 205.A N SER 201.A O no hydrogen 3.201 N/A LYS 205.A NZ GLY 198.A O no hydrogen 3.045 N/A GLU 206.A N LYS 202.A O no hydrogen 2.879 N/A PHE 207.A N PRO 203.A O no hydrogen 2.762 N/A VAL 208.A N LEU 204.A O no hydrogen 3.059 N/A GLU 209.A N LYS 205.A O no hydrogen 2.923 N/A ALA 210.A N GLU 206.A O no hydrogen 2.967 N/A CYS 211.A N PHE 207.A O no hydrogen 3.230 N/A CYS 211.A SG PHE 207.A O no hydrogen 3.514 N/A LEU 212.A N VAL 208.A O no hydrogen 2.966 N/A LYS 214.A NZ PRO 189.A O no hydrogen 3.031 N/A LYS 214.A NZ ASN 191.A O no hydrogen 2.517 N/A GLU 215.A N ASN 213.A OD1 no hydrogen 3.033 N/A SER 217.A N GLU 215.A OE1 no hydrogen 3.189 N/A SER 217.A OG GLU 215.A OE1 no hydrogen 2.859 N/A PHE 218.A N GLU 215.A O no hydrogen 3.067 N/A ARG 219.A N PRO 216.A O no hydrogen 3.095 N/A ARG 219.A NE ASN 213.A O no hydrogen 2.696 N/A ARG 219.A NH1 GLU 146.A OE1 no hydrogen 3.511 N/A ARG 219.A NH1 GLU 146.A OE2 no hydrogen 2.859 N/A ARG 219.A NH1 ASN 213.A O no hydrogen 3.138 N/A ARG 219.A NH2 GLU 146.A OE1 no hydrogen 2.672 N/A ARG 219.A NH2 LYS 156.A O no hydrogen 2.967 N/A THR 221.A N GLU 224.A OE2 no hydrogen 3.057 N/A GLU 224.A N THR 221.A OG1 no hydrogen 3.257 N/A LEU 225.A N THR 221.A O no hydrogen 3.167 N/A LEU 226.A N ALA 222.A O no hydrogen 3.140 N/A LYS 227.A N GLU 224.A O no hydrogen 2.951 N/A HIS 228.A N LEU 225.A O no hydrogen 2.982 N/A PHE 230.A N HIS 228.A ND1 no hydrogen 3.042 N/A LEU 232.A N HIS 228.A O no hydrogen 2.974 N/A ARG 233.A N LYS 229.A O no hydrogen 2.866 N/A ASN 234.A N PHE 230.A O no hydrogen 3.187 N/A ASN 234.A N ILE 231.A O no hydrogen 3.342 N/A ASN 234.A ND2 PHE 230.A O no hydrogen 3.114 N/A ALA 235.A N ILE 231.A O no hydrogen 2.850 N/A LYS 236.A N THR 95.A OG1 no hydrogen 3.102 N/A LYS 236.A NZ ARG 233.A O no hydrogen 3.248 N/A TYR 240.A N LYS 237.A O no hydrogen 3.249 N/A LEU 241.A N THR 238.A O no hydrogen 2.967 N/A THR 242.A N SER 239.A O no hydrogen 3.255 N/A THR 242.A OG1 HIS 127.A O no hydrogen 3.557 N/A THR 242.A OG1 SER 239.A O no hydrogen 3.311 N/A GLU 243.A N TYR 240.A O no hydrogen 3.179 N/A ILE 245.A N LEU 241.A O no hydrogen 3.081 N/A ASP 246.A N THR 242.A O no hydrogen 2.835 N/A ARG 247.A N GLU 243.A O no hydrogen 2.939 N/A ARG 247.A NH1 PRO 87.A O no hydrogen 3.055 N/A ARG 247.A NH2 LEU 82.A O no hydrogen 2.893 N/A ARG 247.A NH2 GLY 86.A O no hydrogen 2.841 N/A TYR 248.A N LEU 244.A O no hydrogen 3.060 N/A LYS 249.A N ILE 245.A O no hydrogen 3.085 N/A ARG 250.A N ASP 246.A O no hydrogen 2.982 N/A ARG 250.A NH2 GLU 243.A OE2 no hydrogen 2.994 N/A TRP 251.A N ARG 247.A O no hydrogen 2.967 N/A LYS 252.A N TYR 248.A O no hydrogen 2.730 N/A ALA 253.A N LYS 249.A O no hydrogen 3.048 N/A GLU 254.A N ARG 250.A O no hydrogen 3.280 N/A GLN 255.A N LYS 252.A O no hydrogen 3.395 N/A