Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6aub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 69.A O no hydrogen 2.842 N/A LYS 6.A N ASP 4.A OD1 no hydrogen 2.980 N/A ASP 7.A N ASP 4.A O no hydrogen 2.815 N/A LEU 8.A N PRO 5.A O no hydrogen 3.079 N/A THR 9.A N LYS 26.A O no hydrogen 2.922 N/A LEU 11.A N TYR 24.A O no hydrogen 2.818 N/A LYS 12.A N TYR 24.A O no hydrogen 3.096 N/A LEU 14.A N VAL 22.A O no hydrogen 2.909 N/A GLY 17.A N GLY 20.A O no hydrogen 2.768 N/A GLN 18.A NE2 ASP 154.A OD2 no hydrogen 2.890 N/A GLY 20.A N GLY 17.A O no hydrogen 2.968 N/A VAL 22.A N GLY 15.A O no hydrogen 2.901 N/A LYS 23.A N ILE 35.A O no hydrogen 2.858 N/A LYS 23.A NZ GLU 13.A OE2 no hydrogen 2.966 N/A TYR 24.A N LYS 12.A O no hydrogen 2.743 N/A TYR 24.A OH ASP 32.A OD2 no hydrogen 2.787 N/A GLY 25.A N VAL 33.A O no hydrogen 2.991 N/A LYS 26.A N THR 9.A O no hydrogen 2.900 N/A LYS 26.A NZ GLN 30.A O no hydrogen 3.404 N/A LYS 26.A NZ ASP 32.A OD2 no hydrogen 2.848 N/A TRP 27.A N TYR 31.A O no hydrogen 2.842 N/A ARG 28.A N ASP 7.A O no hydrogen 2.805 N/A ARG 28.A NE ASP 7.A OD1 no hydrogen 3.007 N/A ARG 28.A NH2 ASP 7.A OD1 no hydrogen 3.289 N/A GLN 30.A N TRP 27.A O no hydrogen 3.168 N/A TYR 31.A N TRP 27.A O no hydrogen 3.193 N/A VAL 33.A N GLY 25.A O no hydrogen 2.992 N/A ALA 34.A N THR 80.A O no hydrogen 2.898 N/A ILE 35.A N LYS 23.A O no hydrogen 2.756 N/A LYS 36.A N ILE 78.A O no hydrogen 2.824 N/A LYS 36.A NZ ASP 145.A OD1 no hydrogen 2.886 N/A LYS 36.A NZ ASP 145.A OD2 no hydrogen 3.254 N/A MET 37.A N VAL 21.A O no hydrogen 2.932 N/A ILE 38.A N ILE 76.A O no hydrogen 2.958 N/A LYS 39.A N PHE 19.A O no hydrogen 2.805 N/A SER 42.A N LYS 39.A O no hydrogen 3.000 N/A SER 42.A OG LYS 39.A O no hydrogen 2.759 N/A SER 44.A N TYR 151.A O no hydrogen 2.843 N/A PHE 48.A N SER 44.A O no hydrogen 2.881 N/A ILE 49.A N GLU 45.A O no hydrogen 2.764 N/A GLU 50.A N ASP 46.A O no hydrogen 2.975 N/A GLU 51.A N PHE 48.A O no hydrogen 3.059 N/A ALA 52.A N ILE 49.A O no hydrogen 3.434 N/A MET 56.A N ALA 52.A O no hydrogen 3.235 N/A ASN 57.A N LYS 53.A O no hydrogen 3.078 N/A LEU 58.A N MET 55.A O no hydrogen 3.190 N/A SER 59.A N TYR 117.A OH no hydrogen 2.993 N/A SER 59.A OG.A GLN 65.A OE1 no hydrogen 3.290 N/A LYS 62.A N HIS 60.A ND1 no hydrogen 2.855 N/A LYS 62.A NZ ASP 110.A OD2 no hydrogen 2.882 N/A LYS 62.A NZ GLU 113.A OE2 no hydrogen 2.741 N/A LEU 63.A N HIS 60.A O no hydrogen 3.119 N/A VAL 64.A N VAL 143.A O no hydrogen 2.865 N/A GLN 65.A N GLU 81.A OE2 no hydrogen 3.068 N/A GLN 65.A NE2 LEU 63.A O no hydrogen 3.494 N/A TYR 67.A N ILE 79.A O no hydrogen 2.761 N/A GLY 68.A N ILE 79.A O no hydrogen 3.344 N/A VAL 69.A N TRP 1.A O no hydrogen 2.994 N/A CYS 70.A N PHE 77.A O no hydrogen 2.956 N/A CYS 70.A SG ILE 3.A O no hydrogen 3.397 N/A THR 71.A N GLU 2.A OE2 no hydrogen 2.668 N/A THR 71.A OG1 GLU 2.A OE1 no hydrogen 2.878 N/A THR 71.A OG1 GLU 2.A OE2 no hydrogen 3.278 N/A GLN 73.A NE2 PRO 75.A O no hydrogen 2.852 N/A PHE 77.A N CYS 70.A O no hydrogen 2.982 N/A ILE 78.A N LYS 36.A O no hydrogen 3.017 N/A ILE 79.A N GLY 68.A O no hydrogen 2.914 N/A THR 80.A N ALA 34.A O no hydrogen 2.902 N/A THR 80.A OG1 GLU 81.A O no hydrogen 3.010 N/A GLU 81.A N GLN 65.A O no hydrogen 2.888 N/A ASN 85.A N VAL 135.A O no hydrogen 2.865 N/A ASN 85.A ND2 ASN 136.A O no hydrogen 2.971 N/A GLY 86.A N MET 83.A O no hydrogen 3.148 N/A LEU 88.A N CYS 133.A O no hydrogen 2.742 N/A LEU 89.A N ALA 130.A O no hydrogen 3.244 N/A TYR 91.A N CYS 87.A O no hydrogen 3.019 N/A LEU 92.A N LEU 88.A O no hydrogen 2.820 N/A ARG 93.A N LEU 89.A O no hydrogen 3.236 N/A ARG 93.A NH1 GLY 200.A O no hydrogen 2.949 N/A GLU 94.A N ASN 90.A O no hydrogen 2.894 N/A MET 95.A N TYR 91.A O no hydrogen 3.116 N/A ARG 96.A NE LEU 199.A O no hydrogen 2.963 N/A ARG 96.A NH1 LEU 199.A O no hydrogen 2.977 N/A ARG 98.A N MET 95.A O no hydrogen 2.902 N/A GLN 100.A N GLN 103.A OE1 no hydrogen 2.895 N/A GLN 103.A N GLN 100.A O no hydrogen 2.961 N/A LEU 104.A N GLN 100.A O no hydrogen 3.299 N/A LEU 105.A N THR 101.A O no hydrogen 3.109 N/A GLU 106.A N GLN 102.A O no hydrogen 3.062 N/A MET 107.A N GLN 103.A O no hydrogen 2.994 N/A CYS 108.A N LEU 104.A O no hydrogen 3.134 N/A CYS 108.A SG LEU 104.A O no hydrogen 3.518 N/A LYS 109.A N LEU 105.A O no hydrogen 2.916 N/A LYS 109.A NZ GLU 106.A OE1 no hydrogen 2.872 N/A ASP 110.A N GLU 106.A O no hydrogen 2.940 N/A VAL 111.A N MET 107.A O no hydrogen 3.164 N/A CYS 112.A N CYS 108.A O no hydrogen 2.845 N/A CYS 112.A SG PHE 250.A O no hydrogen 3.614 N/A GLU 113.A N LYS 109.A O no hydrogen 2.839 N/A ALA 114.A N ASP 110.A O no hydrogen 3.210 N/A MET 115.A N VAL 111.A O no hydrogen 2.920 N/A GLU 116.A N CYS 112.A O no hydrogen 2.825 N/A TYR 117.A N GLU 113.A O no hydrogen 3.127 N/A LEU 118.A N ALA 114.A O no hydrogen 2.966 N/A GLU 119.A N MET 115.A O no hydrogen 2.777 N/A SER 120.A N GLU 116.A O no hydrogen 2.887 N/A SER 120.A OG TYR 117.A O no hydrogen 2.611 N/A LYS 121.A N TYR 117.A O no hydrogen 3.129 N/A LYS 121.A N LEU 118.A O no hydrogen 2.951 N/A GLN 122.A N GLU 119.A O no hydrogen 2.966 N/A PHE 123.A N LEU 118.A O no hydrogen 3.005 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.771 N/A HIS 125.A NE2 SER 144.A O no hydrogen 2.931 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 3.048 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.038 N/A ALA 130.A N GLU 195.A OE2 no hydrogen 2.903 N/A ARG 131.A NH1 ASP 127.A OD1 no hydrogen 2.815 N/A ASN 132.A N ALA 129.A O no hydrogen 2.919 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.860 N/A CYS 133.A N ALA 130.A O no hydrogen 3.293 N/A CYS 133.A SG ALA 129.A O no hydrogen 3.627 N/A LEU 134.A N LYS 142.A O no hydrogen 2.825 N/A VAL 135.A N GLY 86.A O no hydrogen 2.806 N/A ASN 136.A N VAL 140.A O no hydrogen 3.016 N/A GLN 138.A N ASN 136.A OD1 no hydrogen 2.977 N/A GLY 139.A N ASN 136.A O no hydrogen 3.041 N/A VAL 140.A N ASN 136.A OD1 no hydrogen 3.000 N/A VAL 141.A N ASP 110.A OD1 no hydrogen 3.095 N/A LYS 142.A N LEU 134.A O no hydrogen 2.874 N/A LYS 142.A NZ GLU 61.A O no hydrogen 2.974 N/A LYS 142.A NZ GLU 61.A OE2 no hydrogen 3.542 N/A LYS 142.A NZ GLU 81.A OE1 no hydrogen 2.696 N/A VAL 143.A N LYS 62.A O no hydrogen 2.892 N/A SER 144.A N ASN 132.A O no hydrogen 2.985 N/A GLY 147.A N HIS 125.A O no hydrogen 2.969 N/A LEU 148.A N ASP 145.A O no hydrogen 3.424 N/A ARG 150.A N GLY 147.A O no hydrogen 3.435 N/A TYR 151.A N LEU 148.A O no hydrogen 2.930 N/A TYR 151.A OH GLU 51.A OE1 no hydrogen 2.872 N/A VAL 152.A N SER 149.A O no hydrogen 3.242 N/A LEU 153.A N SER 42.A O no hydrogen 2.998 N/A GLU 156.A N ASP 154.A OD1 no hydrogen 2.919 N/A TYR 157.A N ASP 154.A O no hydrogen 2.935 N/A TYR 157.A OH ASP 127.A OD2 no hydrogen 2.602 N/A THR 158.A N ASP 154.A O no hydrogen 2.950 N/A THR 158.A OG1 ASP 154.A O no hydrogen 3.279 N/A SER 159.A N ASP 155.A O no hydrogen 3.274 N/A VAL 161.A N SER 159.A OG no hydrogen 3.182 N/A GLY 162.A N SER 159.A O no hydrogen 2.823 N/A SER 163.A N GLU 156.A OE1 no hydrogen 2.751 N/A SER 163.A OG GLU 156.A OE1 no hydrogen 3.435 N/A LYS 164.A N GLU 156.A O no hydrogen 2.811 N/A LYS 164.A NZ ASP 154.A OD2 no hydrogen 2.718 N/A PHE 165.A N GLY 162.A O no hydrogen 3.393 N/A VAL 167.A N PHE 165.A O no hydrogen 2.753 N/A ARG 168.A NE ASN 209.A OD1 no hydrogen 3.253 N/A ARG 168.A NH1 PHE 207.A O no hydrogen 2.761 N/A ARG 168.A NH1 ASN 209.A OD1 no hydrogen 3.352 N/A ARG 168.A NH2 PRO 203.A O no hydrogen 3.054 N/A ARG 168.A NH2 TYR 204.A O no hydrogen 2.920 N/A ARG 168.A NH2 PHE 207.A O no hydrogen 3.129 N/A TRP 169.A N PRO 166.A O no hydrogen 3.050 N/A TRP 169.A NE1 GLU 195.A OE2 no hydrogen 2.833 N/A SER 170.A N VAL 167.A O no hydrogen 3.060 N/A SER 170.A OG PRO 166.A O no hydrogen 2.715 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.790 N/A VAL 174.A N PRO 171.A O no hydrogen 3.081 N/A LEU 175.A N PRO 171.A O no hydrogen 3.146 N/A MET 176.A N PRO 172.A O no hydrogen 2.833 N/A TYR 177.A N GLU 173.A O no hydrogen 3.046 N/A SER 178.A N VAL 174.A O no hydrogen 2.978 N/A LYS 179.A N GLU 173.A O no hydrogen 3.084 N/A PHE 180.A N SER 178.A O no hydrogen 3.244 N/A SER 181.A N SER 184.A OG no hydrogen 2.972 N/A LYS 183.A N SER 181.A OG no hydrogen 3.014 N/A LYS 183.A NZ ARG 247.A O no hydrogen 2.976 N/A LYS 183.A NZ PRO 248.A O no hydrogen 2.921 N/A SER 184.A N SER 181.A O no hydrogen 3.026 N/A SER 184.A OG SER 181.A O no hydrogen 2.837 N/A ASP 185.A N SER 181.A O no hydrogen 3.332 N/A ILE 186.A N SER 182.A O no hydrogen 3.010 N/A TRP 187.A N LYS 183.A O no hydrogen 3.188 N/A ALA 188.A N SER 184.A O no hydrogen 3.135 N/A PHE 189.A N ASP 185.A O no hydrogen 2.899 N/A GLY 190.A N ILE 186.A O no hydrogen 3.089 N/A VAL 191.A N TRP 187.A O no hydrogen 3.213 N/A LEU 192.A N ALA 188.A O no hydrogen 2.819 N/A MET 193.A N PHE 189.A O no hydrogen 2.828 N/A TRP 194.A N GLY 190.A O no hydrogen 3.047 N/A TRP 194.A NE1 TYR 223.A O no hydrogen 2.859 N/A GLU 195.A N VAL 191.A O no hydrogen 2.826 N/A ILE 196.A N LEU 192.A O no hydrogen 2.888 N/A TYR 197.A N MET 193.A O no hydrogen 2.928 N/A SER 198.A N TRP 194.A O no hydrogen 2.860 N/A SER 198.A OG TRP 194.A O no hydrogen 3.021 N/A SER 198.A OG GLU 195.A O no hydrogen 3.251 N/A LEU 199.A N ILE 196.A O no hydrogen 2.965 N/A GLY 200.A N GLU 195.A O no hydrogen 2.816 N/A LYS 201.A N SER 198.A OG no hydrogen 3.177 N/A ARG 206.A NH2 GLU 205.A OE2 no hydrogen 3.566 N/A PHE 207.A N TYR 204.A O no hydrogen 2.991 N/A THR 208.A N GLU 211.A OE2 no hydrogen 2.916 N/A THR 208.A OG1 SER 210.A OG no hydrogen 3.335 N/A SER 210.A OG THR 208.A OG1 no hydrogen 3.335 N/A GLU 211.A N THR 208.A OG1 no hydrogen 3.153 N/A THR 212.A N THR 208.A O no hydrogen 2.837 N/A THR 212.A OG1 THR 208.A O no hydrogen 2.912 N/A ALA 213.A N ASN 209.A O no hydrogen 2.894 N/A GLU 214.A N SER 210.A O no hydrogen 2.895 N/A HIS 215.A N GLU 211.A O no hydrogen 2.931 N/A HIS 215.A ND1 GLU 211.A O no hydrogen 2.775 N/A ILE 216.A N THR 212.A O no hydrogen 2.860 N/A ALA 217.A N ALA 213.A O no hydrogen 3.069 N/A GLN 218.A N GLU 214.A O no hydrogen 3.316 N/A GLN 218.A N HIS 215.A O no hydrogen 3.208 N/A GLY 219.A N ILE 216.A O no hydrogen 3.024 N/A LEU 220.A N HIS 215.A O no hydrogen 2.812 N/A ARG 221.A NE TRP 240.A O no hydrogen 3.003 N/A ARG 221.A NH1 ILE 216.A O no hydrogen 2.944 N/A ARG 221.A NH1 LEU 220.A O no hydrogen 2.962 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 3.002 N/A ARG 224.A NH1 ALA 228.A O no hydrogen 3.019 N/A ALA 228.A N PRO 225.A O no hydrogen 3.038 N/A VAL 232.A N SER 229.A OG no hydrogen 3.141 N/A TYR 233.A N SER 229.A O no hydrogen 2.875 N/A TYR 233.A OH LEU 222.A O no hydrogen 2.614 N/A THR 234.A N GLU 230.A O no hydrogen 2.871 N/A THR 234.A OG1 GLU 230.A O no hydrogen 2.937 N/A ILE 235.A N LYS 231.A O no hydrogen 3.229 N/A MET 236.A N VAL 232.A O no hydrogen 3.081 N/A TYR 237.A N TYR 233.A O no hydrogen 2.775 N/A SER 238.A N THR 234.A O no hydrogen 3.040 N/A SER 238.A N ILE 235.A O no hydrogen 3.219 N/A SER 238.A OG ILE 235.A O no hydrogen 2.770 N/A CYS 239.A N MET 236.A O no hydrogen 3.103 N/A CYS 239.A SG ILE 235.A O no hydrogen 3.735 N/A TRP 240.A N TYR 237.A O no hydrogen 3.007 N/A GLU 246.A N LYS 243.A O no hydrogen 3.055 N/A ARG 247.A N ALA 244.A O no hydrogen 3.109 N/A ARG 247.A NE HIS 241.A O no hydrogen 2.822 N/A ARG 247.A NH1 GLU 173.A OE1 no hydrogen 2.953 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 3.562 N/A ARG 247.A NH1 HIS 241.A O no hydrogen 3.106 N/A ARG 247.A NH1 GLU 242.A O no hydrogen 3.140 N/A ARG 247.A NH2 GLU 173.A OE2 no hydrogen 2.748 N/A ARG 247.A NH2 LYS 183.A O no hydrogen 2.959 N/A PHE 250.A N GLU 119.A OE2 no hydrogen 2.814 N/A LYS 251.A N GLU 119.A OE1 no hydrogen 3.354 N/A ILE 252.A N THR 249.A OG1 no hydrogen 3.176 N/A LEU 253.A N THR 249.A O no hydrogen 2.927 N/A LEU 254.A N PHE 250.A O no hydrogen 2.859 N/A SER 255.A N LYS 251.A O no hydrogen 3.120 N/A ASN 256.A N ILE 252.A O no hydrogen 2.878 N/A ILE 257.A N LEU 253.A O no hydrogen 2.929 N/A LEU 258.A N LEU 254.A O no hydrogen 2.947 N/A ASP 259.A N SER 255.A O no hydrogen 2.975 N/A VAL 260.A N ASN 256.A O no hydrogen 3.154 N/A MET 261.A N ILE 257.A O no hydrogen 2.981 N/A ASP 262.A N LEU 258.A O no hydrogen 2.817 N/A GLU 263.A N ASP 259.A O no hydrogen 2.841 N/A ASN 264.A N VAL 260.A O no hydrogen 2.763 N/A