Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3une_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A N ASP 5.A OD1 no hydrogen 2.898 N/A THR 8.A OG1 LYS 126.A O no hydrogen 3.062 N/A SER 12.A N ARG 16.A O no hydrogen 3.167 N/A SER 12.A OG ARG 16.A O no hydrogen 2.724 N/A GLY 15.A N SER 12.A O no hydrogen 2.802 N/A ARG 16.A N SER 12.A OG no hydrogen 3.330 N/A GLU 21.A N LEU 17.A O no hydrogen 3.328 N/A TYR 22.A N TYR 18.A O no hydrogen 2.806 N/A ALA 23.A N GLN 19.A O no hydrogen 3.157 N/A MET 24.A N VAL 20.A O no hydrogen 2.943 N/A GLU 25.A N GLU 21.A O no hydrogen 3.290 N/A ALA 26.A N ALA 23.A O no hydrogen 3.252 N/A HIS 29.A ND1 GLU 25.A O no hydrogen 2.788 N/A ALA 30.A N ILE 27.A O no hydrogen 3.089 N/A THR 32.A N GLU 47.A OE1 no hydrogen 3.170 N/A THR 32.A OG1 GLU 47.A OE1 no hydrogen 2.991 N/A THR 32.A OG1 ASN 165.A O no hydrogen 3.046 N/A CYS 33.A N ILE 163.A O no hydrogen 2.944 N/A CYS 33.A SG SER 74.A OG no hydrogen 2.990 N/A LEU 34.A N ALA 45.A O no hydrogen 2.781 N/A GLY 35.A N THR 161.A O no hydrogen 3.135 N/A ILE 36.A N LEU 43.A O no hydrogen 3.318 N/A LEU 37.A N LYS 159.A O no hydrogen 2.731 N/A ALA 38.A N GLY 41.A O no hydrogen 3.066 N/A ASN 39.A N MET 183.A O no hydrogen 2.813 N/A ASN 39.A ND2 MET 183.A O no hydrogen 2.808 N/A VAL 42.A N LEU 215.A O no hydrogen 2.939 N/A LEU 43.A N ILE 36.A O no hydrogen 3.422 N/A LEU 44.A N ALA 213.A O no hydrogen 2.826 N/A ALA 45.A N LEU 34.A O no hydrogen 2.728 N/A ALA 46.A N GLU 211.A O no hydrogen 2.833 N/A GLU 47.A N THR 32.A O no hydrogen 2.757 N/A ARG 48.A N LYS 209.A O no hydrogen 2.747 N/A ARG 48.A NE GLU 208.A O no hydrogen 3.057 N/A ARG 48.A NH1 GLU 211.A OE2 no hydrogen 3.330 N/A ARG 49.A N GLU 62.A OE2 no hydrogen 3.298 N/A ARG 49.A NH1 HIS 29.A O no hydrogen 2.672 N/A ARG 49.A NH2 HIS 29.A O no hydrogen 3.455 N/A ASN 50.A N GLU 62.A OE2 no hydrogen 3.462 N/A LEU 54.A N HIS 52.A ND1 no hydrogen 3.398 N/A SER 61.A OG ILE 64.A O no hydrogen 3.377 N/A SER 61.A OG GLU 211.A OE1 no hydrogen 2.836 N/A GLU 62.A N GLU 211.A OE1 no hydrogen 3.122 N/A GLU 62.A N GLU 211.A OE2 no hydrogen 2.913 N/A LYS 63.A N GLU 211.A OE1 no hydrogen 3.208 N/A LYS 63.A NZ GLU 47.A O no hydrogen 3.214 N/A ILE 64.A N SER 61.A OG no hydrogen 3.012 N/A TYR 65.A N CYS 73.A O no hydrogen 2.775 N/A TYR 65.A OH ASN 83.A OD1 no hydrogen 2.718 N/A LEU 67.A N MET 71.A O no hydrogen 3.486 N/A ASN 68.A N MET 71.A O no hydrogen 3.289 N/A MET 71.A N ASN 68.A O no hydrogen 3.488 N/A ALA 72.A N ILE 136.A O no hydrogen 2.788 N/A CYS 73.A N TYR 65.A O no hydrogen 2.824 N/A CYS 73.A SG TYR 65.A O no hydrogen 3.852 N/A SER 74.A N LEU 134.A O no hydrogen 2.791 N/A ALA 76.A N SER 132.A O no hydrogen 2.928 N/A ILE 78.A N GLY 130.A O no hydrogen 3.355 N/A SER 80.A OG ASP 81.A OD1 no hydrogen 3.148 N/A ALA 82.A N ILE 78.A O no hydrogen 3.256 N/A ASN 83.A N THR 79.A O no hydrogen 3.257 N/A LEU 85.A N ASP 81.A O no hydrogen 3.292 N/A THR 86.A N ALA 82.A O no hydrogen 2.859 N/A THR 86.A OG1 ALA 82.A O no hydrogen 2.752 N/A GLU 88.A N VAL 84.A O no hydrogen 3.167 N/A LEU 89.A N LEU 85.A O no hydrogen 2.975 N/A ARG 90.A N THR 86.A O no hydrogen 3.196 N/A ARG 90.A NE LYS 66.A O no hydrogen 2.803 N/A ARG 90.A NH2 LYS 66.A O no hydrogen 3.164 N/A LEU 91.A N ASN 87.A O no hydrogen 3.298 N/A ILE 92.A N GLU 88.A O no hydrogen 3.022 N/A ALA 93.A N LEU 89.A O no hydrogen 3.227 N/A GLN 94.A N ARG 90.A O no hydrogen 3.341 N/A GLN 94.A N LEU 91.A O no hydrogen 3.215 N/A ARG 95.A N LEU 91.A O no hydrogen 2.936 N/A TYR 96.A N ILE 92.A O no hydrogen 3.194 N/A TYR 96.A OH GLN 108.A OE1 no hydrogen 3.351 N/A LEU 97.A N ALA 93.A O no hydrogen 3.333 N/A LEU 98.A N GLN 94.A O no hydrogen 2.978 N/A GLN 99.A N ARG 95.A O no hydrogen 3.214 N/A TYR 100.A N TYR 96.A O no hydrogen 2.949 N/A GLN 101.A N LEU 97.A O no hydrogen 3.117 N/A GLN 101.A NE2 LEU 98.A O no hydrogen 3.430 N/A CYS 106.A N ASP 139.A OD2 no hydrogen 2.936 N/A CYS 106.A SG ASP 139.A OD2 no hydrogen 3.522 N/A GLN 108.A N PRO 105.A O no hydrogen 3.225 N/A LEU 109.A N PRO 105.A O no hydrogen 3.405 N/A VAL 110.A N CYS 106.A O no hydrogen 3.413 N/A THR 111.A N GLU 107.A O no hydrogen 3.174 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.861 N/A THR 111.A OG1 GLN 108.A O no hydrogen 3.072 N/A ALA 112.A N GLN 108.A O no hydrogen 3.275 N/A LEU 113.A N LEU 109.A O no hydrogen 3.470 N/A CYS 114.A N VAL 110.A O no hydrogen 3.166 N/A CYS 114.A SG VAL 110.A O no hydrogen 3.282 N/A CYS 114.A SG SER 149.A OG no hydrogen 3.268 N/A ASP 115.A N THR 111.A O no hydrogen 3.060 N/A LYS 117.A N LEU 113.A O no hydrogen 2.998 N/A LYS 117.A NZ SER 149.A OG no hydrogen 2.729 N/A LYS 117.A NZ ASP 150.A O no hydrogen 3.358 N/A GLN 118.A N CYS 114.A O no hydrogen 3.029 N/A ALA 119.A N ASP 115.A O no hydrogen 3.197 N/A TYR 120.A N ILE 116.A O no hydrogen 3.365 N/A THR 121.A N GLN 118.A O no hydrogen 3.256 N/A THR 121.A OG1 GLN 118.A O no hydrogen 2.640 N/A GLN 122.A N ALA 119.A O no hydrogen 3.340 N/A PHE 123.A N ALA 119.A O no hydrogen 3.040 N/A ARG 127.A NH1 ASP 81.A OD2 no hydrogen 2.652 N/A ARG 127.A NH1 PRO 128.A O no hydrogen 3.528 N/A ARG 127.A NH2 ASP 81.A OD1 no hydrogen 2.912 N/A ARG 127.A NH2 ASP 81.A OD2 no hydrogen 3.067 N/A SER 132.A N ALA 76.A O no hydrogen 2.761 N/A SER 132.A OG SER 149.A O no hydrogen 3.317 N/A LEU 134.A N SER 74.A O no hydrogen 3.180 N/A TYR 135.A N TYR 147.A O no hydrogen 2.958 N/A ILE 136.A N ALA 72.A O no hydrogen 2.756 N/A GLY 137.A N GLN 145.A O no hydrogen 3.429 N/A TRP 138.A N ASP 70.A O no hydrogen 3.085 N/A ASP 139.A N GLY 143.A O no hydrogen 3.414 N/A LYS 140.A NZ GLU 102.A OE2 no hydrogen 3.366 N/A HIS 141.A N ASP 139.A OD1 no hydrogen 3.239 N/A TYR 142.A N ASP 139.A OD1 no hydrogen 2.929 N/A GLY 143.A N ASP 139.A OD1 no hydrogen 3.497 N/A GLN 145.A N GLY 137.A O no hydrogen 3.041 N/A GLN 145.A NE2 ASP 139.A OD1 no hydrogen 2.977 N/A GLN 145.A NE2 ASP 139.A OD2 no hydrogen 2.767 N/A GLN 145.A NE2 GLY 143.A O no hydrogen 3.042 N/A TYR 147.A N TYR 135.A O no hydrogen 3.018 N/A TYR 147.A OH GLN 145.A OE1 no hydrogen 2.698 N/A GLN 148.A N GLY 156.A O no hydrogen 2.898 N/A SER 149.A N LEU 133.A O no hydrogen 2.872 N/A ASP 150.A N ASN 154.A O no hydrogen 2.872 N/A GLY 153.A N ASP 150.A O no hydrogen 3.092 N/A TYR 155.A OH GLU 107.A OE2 no hydrogen 3.122 N/A GLY 156.A N GLN 148.A O no hydrogen 3.117 N/A TRP 158.A N LEU 146.A O no hydrogen 2.876 N/A THR 161.A N GLY 35.A O no hydrogen 3.207 N/A THR 161.A OG1 GLN 148.A OE1 no hydrogen 3.054 N/A CYS 162.A SG CYS 33.A O no hydrogen 3.370 N/A ILE 163.A N CYS 33.A O no hydrogen 2.748 N/A SER 167.A OG CYS 162.A O no hydrogen 2.707 N/A ALA 170.A N ASN 166.A O no hydrogen 3.141 N/A VAL 171.A N SER 167.A O no hydrogen 3.070 N/A SER 172.A OG ALA 168.A O no hydrogen 3.405 N/A SER 172.A OG ALA 169.A O no hydrogen 2.779 N/A MET 173.A N ALA 169.A O no hydrogen 3.315 N/A LEU 174.A N ALA 170.A O no hydrogen 2.892 N/A LYS 175.A N VAL 171.A O no hydrogen 3.121 N/A GLN 176.A N MET 173.A O no hydrogen 3.358 N/A TYR 178.A N LEU 174.A O no hydrogen 3.372 N/A TYR 178.A OH LEU 37.A O no hydrogen 2.706 N/A THR 184.A N SER 187.A OG no hydrogen 3.192 N/A THR 184.A OG1 ASP 40.A OD1 no hydrogen 3.113 N/A LEU 185.A N ASP 40.A OD1 no hydrogen 2.814 N/A SER 187.A OG THR 184.A O no hydrogen 2.896 N/A ALA 188.A N THR 184.A O no hydrogen 2.880 N/A LEU 189.A N LEU 185.A O no hydrogen 3.152 N/A LEU 191.A N SER 187.A O no hydrogen 3.157 N/A ALA 192.A N ALA 188.A O no hydrogen 2.998 N/A VAL 193.A N LEU 189.A O no hydrogen 3.380 N/A LYS 194.A N ALA 190.A O no hydrogen 3.322 N/A LYS 194.A NZ ASP 177.A OD1 no hydrogen 2.942 N/A VAL 195.A N LEU 191.A O no hydrogen 3.184 N/A LEU 196.A N ALA 192.A O no hydrogen 3.188 N/A ASN 197.A N VAL 193.A O no hydrogen 3.049 N/A THR 199.A N VAL 195.A O no hydrogen 3.001 N/A THR 199.A OG1 VAL 195.A O no hydrogen 2.686 N/A GLU 211.A N ALA 46.A O no hydrogen 2.826 N/A ALA 213.A N LEU 44.A O no hydrogen 2.967 N/A THR 214.A N ARG 225.A O no hydrogen 2.906 N/A LEU 215.A N VAL 42.A O no hydrogen 2.736 N/A THR 216.A N VAL 223.A O no hydrogen 3.080 N/A ARG 217.A NE THR 222.A OG1 no hydrogen 2.904 N/A GLU 218.A N LYS 221.A O no hydrogen 2.763 N/A LYS 221.A N GLU 218.A O no hydrogen 3.059 N/A THR 222.A OG1 ASP 70.A OD1 no hydrogen 2.869 N/A VAL 223.A N THR 216.A O no hydrogen 2.869 N/A ARG 225.A N THR 214.A O no hydrogen 3.128 N/A LEU 227.A N ILE 212.A O no hydrogen 2.927 N/A LYS 228.A N GLU 231.A OE1 no hydrogen 3.253 N/A GLU 231.A N LYS 228.A O no hydrogen 2.962 N/A VAL 232.A N LYS 228.A O no hydrogen 3.053 N/A GLU 233.A N GLN 229.A O no hydrogen 2.814 N/A ILE 236.A N VAL 232.A O no hydrogen 3.091 N/A LYS 237.A N GLU 233.A O no hydrogen 3.068 N/A LYS 238.A N GLN 234.A O no hydrogen 3.025 N/A HIS 239.A N ILE 236.A O no hydrogen 3.189 N/A GLU 240.A N ILE 236.A O no hydrogen 2.759 N/A GLU 241.A N LYS 237.A O no hydrogen 3.003 N/A GLU 243.A N HIS 239.A O no hydrogen 3.141 N/A LYS 245.A N GLU 241.A O no hydrogen 2.979 N/A ALA 246.A N GLU 242.A O no hydrogen 3.200 N/A ARG 248.A N ALA 246.A O no hydrogen 3.237 N/A