Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ckp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 3.A OD1 no hydrogen 3.055 N/A PHE 4.A N MET 1.A O no hydrogen 3.049 N/A GLN 5.A N ARG 22.A O no hydrogen 2.918 N/A VAL 7.A N LYS 20.A O no hydrogen 2.654 N/A GLU 8.A N LYS 20.A O no hydrogen 3.255 N/A ILE 10.A N VAL 18.A O no hydrogen 2.800 N/A GLY 11.A N VAL 18.A O no hydrogen 3.342 N/A GLY 13.A N GLY 16.A O no hydrogen 2.579 N/A THR 14.A OG1 ASP 137.A OD2 no hydrogen 3.384 N/A VAL 18.A N GLY 11.A O no hydrogen 2.796 N/A TYR 19.A N LEU 32.A O no hydrogen 2.767 N/A LYS 20.A N GLU 8.A O no hydrogen 2.654 N/A ALA 21.A N VAL 30.A O no hydrogen 2.803 N/A ARG 22.A N GLN 5.A O no hydrogen 3.011 N/A ARG 22.A NE GLY 27.A O no hydrogen 2.951 N/A ARG 22.A NH2 GLY 27.A O no hydrogen 2.653 N/A ASN 23.A N GLU 28.A O no hydrogen 2.765 N/A ASN 23.A ND2 GLU 28.A OE2 no hydrogen 3.258 N/A LYS 24.A N ASN 3.A O no hydrogen 2.843 N/A LYS 24.A NZ GLU 2.A O no hydrogen 3.461 N/A LYS 24.A NZ PHE 4.A O no hydrogen 3.383 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.928 N/A GLY 27.A N ASN 23.A O no hydrogen 2.446 N/A VAL 30.A N ALA 21.A O no hydrogen 2.831 N/A ALA 31.A N PHE 72.A O no hydrogen 2.782 N/A LEU 32.A N TYR 19.A O no hydrogen 2.730 N/A LYS 33.A N LEU 70.A O no hydrogen 2.916 N/A LYS 34.A N VAL 17.A O no hydrogen 2.963 N/A ILE 35.A N LEU 68.A O no hydrogen 2.740 N/A ILE 41.A N PRO 37.A O no hydrogen 3.353 N/A ARG 42.A N SER 38.A O no hydrogen 3.298 N/A ARG 42.A NH1 SER 38.A OG no hydrogen 2.754 N/A GLU 43.A N THR 39.A O no hydrogen 3.140 N/A ILE 44.A N ALA 40.A O no hydrogen 3.037 N/A SER 45.A N ILE 41.A O no hydrogen 3.173 N/A SER 45.A N ARG 42.A O no hydrogen 3.083 N/A SER 45.A OG ILE 41.A O no hydrogen 2.782 N/A LEU 46.A N ARG 42.A O no hydrogen 2.937 N/A LEU 47.A N ILE 44.A O no hydrogen 3.280 N/A LYS 48.A N SER 45.A O no hydrogen 3.219 N/A LYS 48.A NZ SER 45.A O no hydrogen 3.460 N/A GLU 49.A N LEU 46.A O no hydrogen 3.325 N/A LEU 50.A N LEU 47.A O no hydrogen 3.100 N/A ASN 51.A N GLU 49.A O no hydrogen 2.883 N/A ASN 51.A ND2 LYS 48.A O no hydrogen 3.409 N/A ASN 54.A ND2 GLN 102.A OE1 no hydrogen 3.264 N/A ASN 54.A ND2 ILE 133.A O no hydrogen 2.973 N/A ILE 55.A N HIS 52.A O no hydrogen 2.951 N/A VAL 56.A N LEU 135.A O no hydrogen 2.925 N/A LYS 57.A N GLU 73.A OE2 no hydrogen 2.959 N/A LEU 59.A N VAL 71.A O no hydrogen 2.723 N/A ASP 60.A N VAL 71.A O no hydrogen 3.211 N/A ILE 62.A N TYR 69.A O no hydrogen 2.776 N/A THR 64.A N LYS 67.A O no hydrogen 2.849 N/A LYS 67.A N THR 64.A O no hydrogen 3.035 N/A TYR 69.A N ILE 62.A O no hydrogen 2.774 N/A LEU 70.A N LYS 33.A O no hydrogen 2.968 N/A VAL 71.A N ASP 60.A O no hydrogen 2.719 N/A PHE 72.A N ALA 31.A O no hydrogen 2.763 N/A GLU 73.A N LYS 57.A O no hydrogen 3.033 N/A LEU 79.A N LEU 125.A O no hydrogen 2.778 N/A LYS 81.A N ASP 78.A OD1 no hydrogen 2.779 N/A PHE 82.A N ASP 78.A O no hydrogen 3.167 N/A MET 83.A N LEU 79.A O no hydrogen 2.852 N/A ASP 84.A N LYS 80.A O no hydrogen 3.170 N/A ALA 85.A N LYS 81.A O no hydrogen 3.020 N/A SER 86.A N PHE 82.A O no hydrogen 3.010 N/A SER 86.A N MET 83.A O no hydrogen 3.165 N/A SER 86.A OG PHE 82.A O no hydrogen 2.622 N/A ALA 87.A N ASP 84.A O no hydrogen 3.147 N/A GLY 90.A N SER 86.A O no hydrogen 2.531 N/A LEU 95.A N PRO 92.A O no hydrogen 2.903 N/A ILE 96.A N PRO 92.A O no hydrogen 2.951 N/A LYS 97.A N LEU 93.A O no hydrogen 2.737 N/A LYS 97.A NZ PHE 266.A O no hydrogen 3.428 N/A LYS 97.A NZ ASP 269.A OD1 no hydrogen 2.672 N/A SER 98.A N PRO 94.A O no hydrogen 2.982 N/A SER 98.A OG THR 271.A O no hydrogen 3.274 N/A TYR 99.A N LEU 95.A O no hydrogen 2.951 N/A LEU 100.A N ILE 96.A O no hydrogen 3.006 N/A PHE 101.A N LYS 97.A O no hydrogen 2.986 N/A GLN 102.A N SER 98.A O no hydrogen 2.993 N/A GLN 102.A NE2 SER 98.A O no hydrogen 3.501 N/A GLN 102.A NE2 SER 98.A OG no hydrogen 3.116 N/A GLN 102.A NE2 GLY 131.A O no hydrogen 3.056 N/A LEU 103.A N TYR 99.A O no hydrogen 2.972 N/A LEU 104.A N LEU 100.A O no hydrogen 2.931 N/A GLN 105.A N PHE 101.A O no hydrogen 3.017 N/A GLY 106.A N GLN 102.A O no hydrogen 2.961 N/A LEU 107.A N LEU 103.A O no hydrogen 2.812 N/A ALA 108.A N LEU 104.A O no hydrogen 2.799 N/A PHE 109.A N GLN 105.A O no hydrogen 2.984 N/A CYS 110.A N GLY 106.A O no hydrogen 3.044 N/A CYS 110.A SG GLY 106.A O no hydrogen 3.576 N/A HIS 111.A N LEU 107.A O no hydrogen 2.745 N/A HIS 111.A NE2 ASP 166.A OD2 no hydrogen 2.840 N/A SER 112.A N ALA 108.A O no hydrogen 3.005 N/A SER 112.A OG PHE 109.A O no hydrogen 2.537 N/A SER 112.A OG HIS 113.A ND1 no hydrogen 3.131 N/A HIS 113.A N CYS 110.A O no hydrogen 2.878 N/A HIS 113.A ND1 PHE 109.A O no hydrogen 3.077 N/A ARG 114.A N HIS 111.A O no hydrogen 3.085 N/A VAL 115.A N CYS 110.A O no hydrogen 3.029 N/A HIS 117.A N ASP 166.A OD2 no hydrogen 2.907 N/A ARG 118.A N ASP 166.A OD1 no hydrogen 2.824 N/A ARG 118.A NH1.A TYR 161.A OH no hydrogen 3.181 N/A LYS 121.A N ASN 124.A OD1.B no hydrogen 3.036 N/A LYS 121.A NZ ASP 119.A OD1 no hydrogen 2.931 N/A LYS 121.A NZ ASP 119.A OD2 no hydrogen 2.712 N/A GLN 123.A N GLN 123.A OE1 no hydrogen 2.912 N/A ASN 124.A N LYS 121.A O no hydrogen 3.074 N/A ASN 124.A ND2.B ASP 119.A O no hydrogen 2.722 N/A LEU 125.A N PRO 122.A O no hydrogen 3.247 N/A LEU 126.A N LYS 134.A O no hydrogen 2.916 N/A ILE 127.A N GLN 77.A O no hydrogen 2.866 N/A ASN 128.A N ALA 132.A O no hydrogen 3.169 N/A GLU 130.A N ASN 128.A OD1 no hydrogen 2.992 N/A GLY 131.A N ASN 128.A O no hydrogen 3.440 N/A ALA 132.A N ASN 128.A OD1 no hydrogen 3.094 N/A ILE 133.A N GLN 102.A OE1 no hydrogen 3.238 N/A LYS 134.A N LEU 126.A O no hydrogen 2.718 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.373 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 2.886 N/A LEU 135.A N ASN 54.A O no hydrogen 2.828 N/A ALA 136.A N ASN 124.A O no hydrogen 2.742 N/A LEU 140.A N ASP 137.A O no hydrogen 3.388 N/A ALA 143.A N GLY 139.A O no hydrogen 3.191 N/A PHE 144.A N LEU 140.A O no hydrogen 2.783 N/A TRP 148.A NE1 GLY 186.A O no hydrogen 2.895 N/A TYR 149.A OH GLU 176.A OE1 no hydrogen 2.684 N/A ARG 150.A N LEU 147.A O no hydrogen 2.999 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.843 N/A ILE 154.A N ALA 151.A O no hydrogen 3.265 N/A LEU 155.A N ALA 151.A O no hydrogen 3.307 N/A LEU 156.A N PRO 152.A O no hydrogen 2.783 N/A GLY 157.A N ILE 154.A O no hydrogen 3.234 N/A CYS 158.A N GLU 153.A O no hydrogen 2.875 N/A LYS 159.A NZ TYR 160.A OH no hydrogen 3.213 N/A ALA 164.A N SER 162.A OG no hydrogen 3.113 N/A VAL 165.A N SER 162.A O no hydrogen 3.176 N/A ASP 166.A N THR 163.A O no hydrogen 3.063 N/A TRP 168.A N ALA 164.A O no hydrogen 3.119 N/A SER 169.A N VAL 165.A O no hydrogen 3.079 N/A SER 169.A OG TYR 149.A O no hydrogen 2.698 N/A SER 169.A OG VAL 165.A O no hydrogen 2.959 N/A LEU 170.A N ASP 166.A O no hydrogen 2.955 N/A GLY 171.A N ILE 167.A O no hydrogen 2.934 N/A CYS 172.A N TRP 168.A O no hydrogen 3.101 N/A CYS 172.A SG TRP 168.A O no hydrogen 3.578 N/A ILE 173.A N SER 169.A O no hydrogen 3.066 N/A PHE 174.A N LEU 170.A O no hydrogen 2.778 N/A ALA 175.A N GLY 171.A O no hydrogen 3.009 N/A GLU 176.A N CYS 172.A O no hydrogen 3.062 N/A MET 177.A N ILE 173.A O no hydrogen 2.947 N/A VAL 178.A N PHE 174.A O no hydrogen 3.182 N/A THR 179.A N ALA 175.A O no hydrogen 2.900 N/A THR 179.A OG1 ALA 175.A O no hydrogen 3.156 N/A ARG 180.A N GLU 176.A O no hydrogen 2.849 N/A ARG 180.A NH1 ALA 87.A O no hydrogen 2.803 N/A GLY 186.A N PHE 184.A O no hydrogen 2.871 N/A GLY 186.A N GLN 192.A OE1 no hydrogen 2.868 N/A ASP 187.A N ASP 191.A OD2 no hydrogen 2.984 N/A ASP 191.A N SER 188.A OG no hydrogen 2.877 N/A GLN 192.A N SER 188.A O no hydrogen 2.812 N/A GLN 192.A NE2 TRP 148.A O no hydrogen 3.277 N/A GLN 192.A NE2 PHE 184.A O no hydrogen 2.921 N/A LEU 193.A N GLU 189.A O no hydrogen 3.059 N/A PHE 194.A N ILE 190.A O no hydrogen 2.898 N/A ARG 195.A N ASP 191.A O no hydrogen 2.886 N/A ARG 195.A NE ASP 191.A OD2 no hydrogen 2.876 N/A ILE 196.A N GLN 192.A O no hydrogen 3.031 N/A PHE 197.A N LEU 193.A O no hydrogen 2.929 N/A ARG 198.A N PHE 194.A O no hydrogen 2.844 N/A THR 199.A N ARG 195.A O no hydrogen 3.346 N/A THR 199.A N ILE 196.A O no hydrogen 3.103 N/A THR 199.A OG1 ARG 195.A O no hydrogen 3.420 N/A LEU 200.A N ILE 196.A O no hydrogen 2.779 N/A THR 202.A N TRP 224.A O no hydrogen 2.996 N/A THR 202.A OG1 PRO 222.A O no hydrogen 2.612 N/A VAL 207.A N ASP 204.A OD1 no hydrogen 3.020 N/A TRP 208.A N ASP 204.A O no hydrogen 2.868 N/A GLY 210.A N GLU 205.A OE1 no hydrogen 2.633 N/A VAL 211.A N TRP 208.A O no hydrogen 2.910 N/A THR 212.A N GLU 205.A OE2 no hydrogen 2.958 N/A THR 212.A OG1 GLU 205.A OE2 no hydrogen 2.661 N/A SER 213.A N GLY 210.A O no hydrogen 3.240 N/A MET 214.A N VAL 211.A O no hydrogen 2.916 N/A ASP 216.A N LEU 156.A O no hydrogen 2.964 N/A TYR 217.A N MET 214.A O no hydrogen 3.134 N/A PHE 221.A N LYS 218.A O no hydrogen 2.961 N/A LYS 223.A NZ TYR 217.A OH no hydrogen 3.127 N/A LYS 223.A NZ PRO 219.A O no hydrogen 3.454 N/A LYS 223.A NZ PHE 221.A O no hydrogen 3.107 N/A TRP 224.A N THR 202.A OG1 no hydrogen 2.823 N/A ARG 226.A NH1 LEU 200.A O no hydrogen 3.050 N/A GLN 227.A N THR 199.A O no hydrogen 2.859 N/A LYS 231.A N ASP 228.A O no hydrogen 2.953 N/A VAL 232.A N PHE 229.A O no hydrogen 3.092 N/A LEU 236.A N VAL 233.A O no hydrogen 2.802 N/A GLY 240.A N ASP 237.A OD1 no hydrogen 3.014 N/A ARG 241.A N ASP 237.A O no hydrogen 2.923 N/A SER 242.A N GLU 238.A O no hydrogen 2.875 N/A SER 242.A OG HIS 264.A NE2 no hydrogen 3.055 N/A LEU 243.A N ASP 239.A O no hydrogen 2.961 N/A LEU 244.A N GLY 240.A O no hydrogen 2.784 N/A SER 245.A N ARG 241.A O no hydrogen 2.971 N/A SER 245.A OG SER 242.A O no hydrogen 2.818 N/A GLN 246.A N SER 242.A O no hydrogen 3.118 N/A MET 247.A N LEU 243.A O no hydrogen 2.939 N/A LEU 248.A N LEU 244.A O no hydrogen 2.977 N/A LEU 248.A N SER 245.A O no hydrogen 3.313 N/A TYR 250.A OH GLY 201.A O no hydrogen 2.589 N/A ASN 253.A N ASP 251.A OD1 no hydrogen 3.155 N/A LYS 254.A N ASP 251.A O no hydrogen 2.782 N/A ARG 255.A N ASP 251.A O no hydrogen 2.981 N/A ARG 255.A NE HIS 249.A O no hydrogen 2.764 N/A ARG 255.A NH1 GLU 153.A OE1 no hydrogen 3.457 N/A ARG 255.A NH1 GLU 153.A OE2 no hydrogen 2.892 N/A ARG 255.A NH1 ALA 164.A O no hydrogen 2.884 N/A ARG 255.A NH2 GLU 153.A OE1 no hydrogen 2.945 N/A ARG 255.A NH2 HIS 249.A O no hydrogen 3.061 N/A ILE 256.A N GLN 246.A O no hydrogen 3.206 N/A ALA 260.A N SER 257.A OG no hydrogen 3.068 N/A ALA 261.A N SER 257.A O no hydrogen 2.920 N/A LEU 262.A N ALA 258.A O no hydrogen 3.107 N/A LEU 262.A N LYS 259.A O no hydrogen 3.191 N/A ALA 263.A N ALA 260.A O no hydrogen 2.874 N/A HIS 264.A N ALA 261.A O no hydrogen 2.958 N/A HIS 264.A NE2 SER 242.A OG no hydrogen 3.055 N/A PHE 266.A N HIS 264.A ND1 no hydrogen 2.982 N/A PHE 267.A N HIS 264.A O no hydrogen 2.945 N/A GLN 268.A N PRO 265.A O no hydrogen 2.914 N/A VAL 270.A N PHE 267.A O no hydrogen 3.074 N/A