Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8au5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 1.A O no hydrogen 3.189 N/A ILE 5.A N ILE 69.A O no hydrogen 2.958 N/A HIS 13.A N HIS 28.A O no hydrogen 2.788 N/A VAL 17.A N ASN 15.A O no hydrogen 3.175 N/A ILE 18.A N VAL 26.A O no hydrogen 2.905 N/A GLY 19.A N VAL 26.A O no hydrogen 2.919 N/A HIS 22.A N ASP 149.A OD1 no hydrogen 2.815 N/A PHE 23.A N ASP 149.A OD1 no hydrogen 3.301 N/A VAL 26.A N GLY 19.A O no hydrogen 2.805 N/A TYR 27.A N VAL 38.A O no hydrogen 2.728 N/A HIS 28.A N GLU 16.A O no hydrogen 3.112 N/A HIS 28.A NE2 HIS 35.A ND1 no hydrogen 3.197 N/A GLY 29.A N CYS 36.A O no hydrogen 3.033 N/A THR 30.A N ILE 11.A O no hydrogen 3.168 N/A LEU 32.A N SER 9.A O no hydrogen 3.368 N/A ILE 34.A N LEU 31.A O no hydrogen 2.930 N/A HIS 35.A ND1 HIS 28.A NE2 no hydrogen 3.197 N/A CYS 36.A N GLY 29.A O no hydrogen 2.916 N/A CYS 36.A SG ILE 34.A O no hydrogen 3.911 N/A ALA 37.A N LEU 78.A O no hydrogen 2.602 N/A VAL 38.A N TYR 27.A O no hydrogen 2.741 N/A LYS 39.A N VAL 76.A O no hydrogen 2.787 N/A LYS 39.A NZ LEU 146.A O no hydrogen 3.422 N/A LYS 39.A NZ ARG 148.A O no hydrogen 2.884 N/A SER 40.A N CYS 25.A O no hydrogen 2.880 N/A SER 40.A OG ASN 42.A OD1 no hydrogen 2.899 N/A ASN 42.A N PHE 23.A O no hydrogen 2.833 N/A ARG 43.A N PHE 23.A O no hydrogen 3.434 N/A PHE 48.A N GLU 44.A O no hydrogen 2.854 N/A LEU 49.A N VAL 45.A O no hydrogen 3.192 N/A THR 50.A OG1 SER 46.A O no hydrogen 3.445 N/A GLY 52.A N PHE 48.A O no hydrogen 3.138 N/A ILE 53.A N LEU 49.A O no hydrogen 2.752 N/A MET 55.A N GLY 52.A O no hydrogen 2.843 N/A LYS 56.A N ILE 53.A O no hydrogen 3.454 N/A PHE 58.A N MET 55.A O no hydrogen 3.154 N/A SER 59.A N TYR 115.A OH no hydrogen 3.135 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 3.195 N/A ASN 62.A ND2 GLN 108.A OE1 no hydrogen 3.197 N/A ASN 62.A ND2 VAL 139.A O no hydrogen 3.100 N/A VAL 63.A N HIS 60.A O no hydrogen 3.086 N/A LEU 64.A N VAL 141.A O no hydrogen 2.959 N/A GLY 68.A N VAL 77.A O no hydrogen 3.514 N/A ILE 69.A N VAL 3.A O no hydrogen 3.021 N/A CYS 70.A N LEU 75.A O no hydrogen 2.964 N/A CYS 70.A SG LEU 71.A O no hydrogen 3.771 N/A ARG 72.A NE SER 73.A O no hydrogen 2.693 N/A ARG 72.A NH2 SER 73.A O no hydrogen 3.195 N/A ARG 72.A NH2 SER 73.A OG no hydrogen 3.271 N/A LEU 75.A N CYS 70.A O no hydrogen 3.115 N/A VAL 76.A N LYS 39.A O no hydrogen 2.879 N/A VAL 77.A N GLY 68.A O no hydrogen 2.764 N/A LEU 78.A N ALA 37.A O no hydrogen 2.671 N/A HIS 83.A N LEU 133.A O no hydrogen 3.287 N/A HIS 83.A ND1 ASP 134.A O no hydrogen 3.072 N/A GLY 84.A N MET 81.A O no hydrogen 3.256 N/A LEU 86.A N CYS 131.A O no hydrogen 2.615 N/A ARG 87.A N ALA 128.A O no hydrogen 3.109 N/A ASN 88.A N ASP 85.A OD2 no hydrogen 2.976 N/A PHE 89.A N ASP 85.A O no hydrogen 3.116 N/A ILE 90.A N LEU 86.A O no hydrogen 3.269 N/A ARG 91.A NH1 GLY 199.A O no hydrogen 2.739 N/A ASN 92.A N ASN 88.A O no hydrogen 2.963 N/A ASN 92.A N PHE 89.A O no hydrogen 3.090 N/A THR 94.A N ASN 92.A O no hydrogen 2.867 N/A THR 94.A OG1 ASN 92.A OD1 no hydrogen 3.304 N/A THR 94.A OG1 GLU 93.A O no hydrogen 2.751 N/A THR 98.A N ASP 101.A OD2 no hydrogen 3.089 N/A LYS 100.A NZ PHE 260.A O no hydrogen 3.154 N/A ASP 101.A N THR 98.A OG1 no hydrogen 3.010 N/A LEU 102.A N THR 98.A O no hydrogen 3.009 N/A ILE 103.A N VAL 99.A O no hydrogen 2.935 N/A GLY 104.A N LYS 100.A O no hydrogen 2.715 N/A PHE 105.A N ASP 101.A O no hydrogen 2.883 N/A GLY 106.A N LEU 102.A O no hydrogen 3.220 N/A LEU 107.A N ILE 103.A O no hydrogen 2.970 N/A GLN 108.A N GLY 104.A O no hydrogen 2.936 N/A GLN 108.A NE2 GLY 104.A O no hydrogen 3.562 N/A GLN 108.A NE2 PHE 137.A O no hydrogen 3.681 N/A VAL 109.A N PHE 105.A O no hydrogen 2.977 N/A ALA 110.A N GLY 106.A O no hydrogen 3.013 N/A LYS 111.A N LEU 107.A O no hydrogen 3.239 N/A GLY 112.A N GLN 108.A O no hydrogen 3.276 N/A MET 113.A N VAL 109.A O no hydrogen 3.042 N/A LYS 114.A N ALA 110.A O no hydrogen 2.886 N/A TYR 115.A N LYS 111.A O no hydrogen 3.156 N/A LEU 116.A N GLY 112.A O no hydrogen 3.137 N/A ALA 117.A N MET 113.A O no hydrogen 2.757 N/A SER 118.A N LYS 114.A O no hydrogen 3.051 N/A SER 118.A OG TYR 115.A O no hydrogen 2.508 N/A LYS 119.A N TYR 115.A O no hydrogen 3.189 N/A LYS 119.A N LEU 116.A O no hydrogen 3.226 N/A LYS 120.A N ALA 117.A O no hydrogen 2.967 N/A ILE 121.A N LEU 116.A O no hydrogen 2.929 N/A HIS 123.A N ASP 184.A OD2 no hydrogen 2.679 N/A HIS 123.A NE2 ALA 142.A O no hydrogen 2.649 N/A ARG 124.A N ASP 184.A OD1 no hydrogen 3.029 N/A ASP 125.A N HIS 123.A ND1 no hydrogen 3.258 N/A ALA 128.A N GLU 194.A OE1 no hydrogen 3.112 N/A ARG 129.A NE TYR 156.A OH no hydrogen 2.924 N/A ARG 129.A NH2 ASP 125.A OD1 no hydrogen 3.168 N/A ARG 129.A NH2 TYR 156.A OH no hydrogen 3.207 N/A ASN 130.A N ALA 127.A O no hydrogen 2.808 N/A ASN 130.A ND2 ASP 125.A O no hydrogen 2.722 N/A CYS 131.A N ALA 128.A O no hydrogen 3.377 N/A CYS 131.A SG ALA 127.A O no hydrogen 3.644 N/A MET 132.A N LYS 140.A O no hydrogen 3.047 N/A LEU 133.A N GLY 84.A O no hydrogen 3.023 N/A ASP 134.A N THR 138.A O no hydrogen 3.309 N/A LYS 136.A N ASP 134.A OD1 no hydrogen 3.070 N/A PHE 137.A N ASP 134.A O no hydrogen 3.176 N/A THR 138.A N ASP 134.A OD1 no hydrogen 2.911 N/A VAL 139.A N GLN 108.A OE1 no hydrogen 2.984 N/A LYS 140.A N MET 132.A O no hydrogen 2.804 N/A LYS 140.A NZ PRO 61.A O no hydrogen 2.626 N/A VAL 141.A N ASN 62.A O no hydrogen 3.030 N/A ALA 142.A N ASN 130.A O no hydrogen 3.232 N/A ALA 147.A N PHE 144.A O no hydrogen 3.378 N/A ARG 148.A N GLY 145.A O no hydrogen 3.280 N/A ASP 149.A N ASP 143.A OD1 no hydrogen 2.679 N/A MET 150.A N ASP 149.A OD1 no hydrogen 2.659 N/A TYR 151.A OH ALA 147.A O no hydrogen 2.790 N/A TYR 156.A N LYS 153.A O no hydrogen 2.918 N/A TYR 156.A OH ASP 125.A OD1 no hydrogen 3.252 N/A TYR 156.A OH ASP 125.A OD2 no hydrogen 2.667 N/A SER 157.A N LEU 164.A O no hydrogen 3.298 N/A LYS 167.A NZ PRO 202.A O no hydrogen 3.516 N/A LYS 167.A NZ TYR 203.A O no hydrogen 3.067 N/A LYS 167.A NZ VAL 206.A O no hydrogen 3.251 N/A TRP 168.A N PRO 165.A O no hydrogen 3.185 N/A TRP 168.A NE1 GLU 194.A OE1 no hydrogen 3.196 N/A MET 169.A N VAL 166.A O no hydrogen 2.975 N/A SER 173.A OG LYS 178.A O no hydrogen 3.101 N/A LEU 174.A N ALA 170.A O no hydrogen 3.038 N/A GLN 175.A N LEU 171.A O no hydrogen 3.340 N/A GLN 175.A NE2 LEU 171.A O no hydrogen 3.107 N/A THR 176.A N GLU 172.A O no hydrogen 2.734 N/A THR 176.A OG1 GLU 172.A O no hydrogen 2.682 N/A LYS 178.A N THR 176.A OG1 no hydrogen 2.832 N/A THR 180.A N SER 183.A OG no hydrogen 2.659 N/A LYS 182.A NZ ARG 246.A O no hydrogen 3.170 N/A SER 183.A N THR 180.A OG1 no hydrogen 3.005 N/A SER 183.A OG THR 180.A O no hydrogen 2.478 N/A SER 183.A OG THR 180.A OG1 no hydrogen 3.404 N/A ASP 184.A N THR 180.A O no hydrogen 2.954 N/A VAL 185.A N THR 181.A O no hydrogen 3.029 N/A SER 187.A N SER 183.A O no hydrogen 3.204 N/A SER 187.A OG TRP 168.A O no hydrogen 2.609 N/A PHE 188.A N ASP 184.A O no hydrogen 2.945 N/A GLY 189.A N VAL 185.A O no hydrogen 3.084 N/A VAL 190.A N TRP 186.A O no hydrogen 3.225 N/A LEU 191.A N SER 187.A O no hydrogen 2.878 N/A LEU 192.A N PHE 188.A O no hydrogen 2.832 N/A TRP 193.A N GLY 189.A O no hydrogen 3.152 N/A TRP 193.A NE1 LEU 222.A O no hydrogen 2.818 N/A GLU 194.A N VAL 190.A O no hydrogen 3.128 N/A LEU 195.A N LEU 191.A O no hydrogen 3.101 N/A MET 196.A N LEU 192.A O no hydrogen 3.139 N/A THR 197.A N TRP 193.A O no hydrogen 3.019 N/A THR 197.A OG1 TRP 193.A O no hydrogen 3.121 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.143 N/A ARG 198.A N LEU 195.A O no hydrogen 3.181 N/A ARG 198.A NH1 PRO 97.A O no hydrogen 2.688 N/A ARG 198.A NH2 PRO 97.A O no hydrogen 2.977 N/A GLY 199.A N GLU 194.A O no hydrogen 2.744 N/A ALA 200.A N THR 197.A OG1 no hydrogen 3.226 N/A TYR 214.A N ASP 210.A O no hydrogen 3.172 N/A LEU 215.A N ILE 211.A O no hydrogen 2.944 N/A LEU 216.A N THR 212.A O no hydrogen 3.057 N/A GLN 217.A N VAL 213.A O no hydrogen 3.123 N/A GLY 218.A N LEU 215.A O no hydrogen 3.314 N/A ARG 219.A NE GLN 217.A OE1 no hydrogen 2.729 N/A ARG 219.A NH2 GLN 217.A OE1 no hydrogen 3.460 N/A ARG 220.A NE TRP 239.A O no hydrogen 3.330 N/A ARG 220.A NH1 LEU 215.A O no hydrogen 3.223 N/A ARG 220.A NH1 ARG 219.A O no hydrogen 2.793 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.998 N/A GLN 223.A NE2 CYS 227.A O no hydrogen 2.818 N/A GLN 223.A NE2 ASP 229.A OD1 no hydrogen 2.691 N/A CYS 227.A N PRO 224.A O no hydrogen 3.014 N/A CYS 227.A SG PRO 228.A O no hydrogen 3.733 N/A LEU 231.A N PRO 228.A O no hydrogen 2.947 N/A TYR 232.A N PRO 228.A O no hydrogen 3.219 N/A TYR 232.A OH LEU 221.A O no hydrogen 2.967 N/A GLU 233.A N ASP 229.A O no hydrogen 2.787 N/A VAL 234.A N PRO 230.A O no hydrogen 2.982 N/A MET 235.A N LEU 231.A O no hydrogen 2.797 N/A LEU 236.A N TYR 232.A O no hydrogen 2.958 N/A LYS 237.A N GLU 233.A O no hydrogen 3.150 N/A CYS 238.A N VAL 234.A O no hydrogen 3.063 N/A CYS 238.A SG VAL 234.A O no hydrogen 3.292 N/A TRP 239.A N LEU 236.A O no hydrogen 3.007 N/A HIS 240.A N LYS 237.A O no hydrogen 3.320 N/A GLU 244.A N LYS 242.A O no hydrogen 2.768 N/A ARG 246.A NE HIS 240.A O no hydrogen 2.678 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.820 N/A ARG 246.A NH1 LYS 182.A O no hydrogen 2.840 N/A ARG 246.A NH2 HIS 240.A O no hydrogen 3.169 N/A GLU 251.A N SER 248.A OG no hydrogen 3.287 N/A LEU 252.A N SER 248.A O no hydrogen 2.911 N/A VAL 253.A N PHE 249.A O no hydrogen 2.914 N/A SER 254.A N SER 250.A O no hydrogen 3.206 N/A ARG 255.A N GLU 251.A O no hydrogen 2.897 N/A ARG 255.A NE GLU 251.A OE2 no hydrogen 2.790 N/A ILE 256.A N LEU 252.A O no hydrogen 2.928 N/A SER 257.A N VAL 253.A O no hydrogen 3.195 N/A SER 257.A OG VAL 253.A O no hydrogen 2.725 N/A SER 257.A OG SER 254.A O no hydrogen 2.768 N/A ALA 258.A N SER 254.A O no hydrogen 3.242 N/A ILE 259.A N ARG 255.A O no hydrogen 3.194 N/A PHE 260.A N ILE 256.A O no hydrogen 2.747 N/A SER 261.A N SER 257.A O no hydrogen 2.936 N/A SER 261.A OG SER 257.A O no hydrogen 3.300 N/A SER 261.A OG ALA 258.A O no hydrogen 2.614 N/A THR 262.A N ILE 259.A O no hydrogen 3.091 N/A THR 262.A OG1 ILE 259.A O no hydrogen 2.683 N/A PHE 263.A N PHE 260.A O no hydrogen 3.383 N/A