Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xxw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ASP 81.A OD2 no hydrogen 3.007 N/A ARG 1.A NH2 ASP 81.A OD1 no hydrogen 2.799 N/A ARG 1.A NH2 ASP 81.A OD2 no hydrogen 3.565 N/A SER 2.A OG THR 47.A OG1 no hydrogen 2.838 N/A LEU 3.A N THR 47.A O no hydrogen 2.722 N/A ILE 4.A N ASP 81.A OD2 no hydrogen 2.802 N/A VAL 5.A N GLU 49.A O no hydrogen 2.955 N/A THR 6.A N LEU 82.A O no hydrogen 2.917 N/A THR 6.A OG1 GLU 74.A OE1 no hydrogen 2.985 N/A THR 7.A N ARG 51.A O no hydrogen 3.072 N/A THR 7.A OG1 VAL 84.A O no hydrogen 2.661 N/A GLU 10.A N VAL 14.A O no hydrogen 2.918 N/A TYR 13.A N GLU 10.A O no hydrogen 2.716 N/A TYR 13.A OH THR 190.A OG1 no hydrogen 3.092 N/A TYR 13.A OH THR 191.A OG1 no hydrogen 2.917 N/A VAL 14.A N GLU 10.A O no hydrogen 2.887 N/A LEU 15.A N GLU 30.A O no hydrogen 2.946 N/A LYS 17.A N ARG 28.A O no hydrogen 2.765 N/A LYS 17.A NZ ASP 27.A O no hydrogen 3.071 N/A LYS 17.A NZ ASP 27.A OD1 no hydrogen 3.326 N/A LYS 17.A NZ PHE 29.A O no hydrogen 3.497 N/A SER 19.A OG LYS 21.A O no hydrogen 3.285 N/A LYS 21.A N SER 19.A OG no hydrogen 3.213 N/A ASN 26.A ND2 TYR 48.A O no hydrogen 2.826 N/A ASP 27.A N TYR 24.A O no hydrogen 3.248 N/A ARG 28.A N GLY 25.A O no hydrogen 2.897 N/A ARG 28.A NE GLY 25.A O no hydrogen 2.886 N/A PHE 29.A N ASN 26.A O no hydrogen 2.939 N/A GLU 30.A N LEU 15.A O no hydrogen 3.047 N/A TYR 32.A N PRO 12.A O no hydrogen 3.003 N/A CYS 33.A N TYR 13.A O no hydrogen 2.965 N/A ASP 35.A N GLY 31.A O no hydrogen 2.776 N/A LEU 36.A N TYR 32.A O no hydrogen 2.879 N/A LEU 37.A N CYS 33.A O no hydrogen 2.961 N/A ARG 38.A N ILE 34.A O no hydrogen 3.179 N/A GLU 39.A N ASP 35.A O no hydrogen 3.063 N/A LEU 40.A N LEU 36.A O no hydrogen 2.846 N/A SER 41.A N LEU 37.A O no hydrogen 2.915 N/A SER 41.A OG ARG 38.A O no hydrogen 2.978 N/A THR 42.A N ARG 38.A O no hydrogen 3.083 N/A THR 42.A N GLU 39.A O no hydrogen 3.146 N/A THR 42.A OG1 GLU 39.A O no hydrogen 3.064 N/A ILE 43.A N GLU 39.A O no hydrogen 3.149 N/A LEU 44.A N LEU 40.A O no hydrogen 3.012 N/A GLY 45.A N SER 41.A O no hydrogen 2.846 N/A PHE 46.A N SER 41.A O no hydrogen 3.233 N/A THR 47.A OG1 SER 2.A OG no hydrogen 2.838 N/A GLU 49.A N LEU 3.A O no hydrogen 2.750 N/A ILE 50.A N ASN 26.A OD1 no hydrogen 2.786 N/A ARG 51.A N VAL 5.A O no hydrogen 2.818 N/A ARG 51.A NE GLU 49.A OE2 no hydrogen 3.282 N/A ARG 51.A NH2 GLU 49.A OE1 no hydrogen 3.226 N/A VAL 53.A N THR 7.A O no hydrogen 2.872 N/A GLU 54.A N GLU 74.A OE2 no hydrogen 3.479 N/A GLY 56.A N VAL 53.A O no hydrogen 3.072 N/A LYS 57.A N ASP 55.A OD1 no hydrogen 2.814 N/A TYR 58.A OH GLU 10.A OE1 no hydrogen 2.505 N/A ALA 60.A N ASN 69.A OD1 no hydrogen 2.820 N/A GLN 61.A NE2 GLY 66.A O no hydrogen 2.844 N/A ASP 62.A N GLN 67.A O no hydrogen 2.880 N/A ASN 65.A N ASP 62.A OD2 no hydrogen 3.136 N/A GLN 67.A N ASN 65.A OD1 no hydrogen 2.732 N/A ASN 69.A ND2 ASP 137.A OD2 no hydrogen 3.527 N/A GLY 70.A N ASP 55.A OD2 no hydrogen 2.821 N/A MET 71.A N LYS 57.A O no hydrogen 3.013 N/A VAL 72.A N TYR 58.A O no hydrogen 3.222 N/A ARG 73.A N ASN 69.A O no hydrogen 2.889 N/A ARG 73.A NE ASP 77.A OD2 no hydrogen 2.890 N/A ARG 73.A NH1 TRP 68.A O no hydrogen 3.014 N/A GLU 74.A N GLY 70.A O no hydrogen 3.195 N/A LEU 75.A N MET 71.A O no hydrogen 3.252 N/A LEU 75.A N VAL 72.A O no hydrogen 3.230 N/A ILE 76.A N VAL 72.A O no hydrogen 3.159 N/A ASP 77.A N ARG 73.A O no hydrogen 3.085 N/A HIS 78.A N LEU 75.A O no hydrogen 2.882 N/A LYS 79.A N GLU 74.A O no hydrogen 2.667 N/A ALA 80.A N GLU 74.A O no hydrogen 3.025 N/A ASP 81.A N ILE 4.A O no hydrogen 2.742 N/A LEU 82.A N ILE 4.A O no hydrogen 3.264 N/A ALA 83.A N GLY 217.A O no hydrogen 2.797 N/A VAL 84.A N THR 6.A O no hydrogen 3.113 N/A LEU 87.A N ALA 85.A O no hydrogen 2.573 N/A ILE 89.A N GLY 213.A O no hydrogen 2.811 N/A ARG 93.A N THR 90.A OG1 no hydrogen 3.343 N/A ARG 93.A NE GLY 59.A O no hydrogen 3.293 N/A ARG 93.A NH1 ALA 88.A O no hydrogen 3.172 N/A ARG 93.A NH2 GLY 59.A O no hydrogen 2.806 N/A GLU 94.A N THR 90.A O no hydrogen 3.044 N/A LYS 95.A NZ TYR 91.A OH no hydrogen 3.454 N/A VAL 96.A N ARG 93.A O no hydrogen 3.179 N/A ILE 97.A N ARG 93.A O no hydrogen 2.971 N/A ASP 98.A N THR 218.A O no hydrogen 2.970 N/A SER 100.A N VAL 216.A O no hydrogen 2.885 N/A SER 100.A OG LYS 101.A O no hydrogen 2.980 N/A LYS 101.A N THR 229.A OG1 no hydrogen 3.041 N/A PHE 103.A N TYR 214.A O no hydrogen 2.826 N/A LEU 106.A N LYS 212.A O no hydrogen 2.827 N/A GLY 107.A N SER 189.A OG no hydrogen 3.115 N/A ILE 108.A N ASP 210.A OD1 no hydrogen 2.799 N/A SER 109.A N MET 187.A O no hydrogen 2.910 N/A SER 109.A OG ILE 205.A O no hydrogen 3.405 N/A SER 109.A OG GLY 207.A O no hydrogen 2.776 N/A LEU 111.A N PHE 185.A O no hydrogen 2.813 N/A TYR 112.A N THR 203.A O no hydrogen 3.211 N/A TYR 112.A OH ASP 182.A OD1 no hydrogen 2.664 N/A ARG 113.A NH1 ASP 182.A OD1 no hydrogen 2.732 N/A ARG 113.A NH2 ASP 182.A OD1 no hydrogen 3.527 N/A LYS 114.A N ASN 201.A O no hydrogen 3.215 N/A LYS 114.A NZ CYS 200.A O no hydrogen 2.869 N/A THR 116.A OG1 ILE 118.A O no hydrogen 3.450 N/A ILE 118.A N THR 116.A OG1 no hydrogen 3.106 N/A ASP 119.A N ASP 123.A OD2 no hydrogen 3.081 N/A ASP 123.A N SER 120.A O no hydrogen 3.217 N/A ASP 123.A N SER 120.A OG no hydrogen 3.334 N/A ALA 125.A N ALA 121.A O no hydrogen 2.984 N/A GLN 127.A N LEU 124.A O no hydrogen 3.483 N/A GLN 127.A NE2 LEU 124.A O no hydrogen 2.851 N/A GLN 127.A NE2 ILE 130.A O no hydrogen 3.157 N/A ILE 130.A N GLN 127.A OE1 no hydrogen 2.712 N/A GLY 133.A N ALA 184.A O no hydrogen 3.323 N/A GLU 136.A N VAL 168.A O no hydrogen 2.906 N/A THR 142.A N GLY 138.A O no hydrogen 3.062 N/A THR 142.A OG1 GLY 138.A O no hydrogen 3.054 N/A PHE 143.A N ALA 139.A O no hydrogen 2.904 N/A PHE 144.A N THR 140.A O no hydrogen 3.320 N/A LYS 145.A N MET 141.A O no hydrogen 2.915 N/A LYS 145.A NZ ASP 63.A OD2 no hydrogen 2.791 N/A LYS 146.A N THR 142.A O no hydrogen 2.984 N/A SER 147.A N PHE 144.A O no hydrogen 3.140 N/A ILE 149.A N SER 147.A OG no hydrogen 3.264 N/A ASP 153.A N ILE 149.A O no hydrogen 2.773 N/A LYS 154.A N SER 150.A O no hydrogen 2.852 N/A MET 155.A N THR 151.A O no hydrogen 2.883 N/A TRP 156.A N TYR 152.A O no hydrogen 2.980 N/A ALA 157.A N ASP 153.A O no hydrogen 3.087 N/A PHE 158.A N LYS 154.A O no hydrogen 3.064 N/A MET 159.A N MET 155.A O no hydrogen 2.937 N/A SER 160.A N TRP 156.A O no hydrogen 2.657 N/A SER 161.A N ALA 157.A O no hydrogen 3.062 N/A SER 161.A OG ALA 157.A O no hydrogen 2.960 N/A SER 161.A OG PHE 158.A O no hydrogen 2.968 N/A ARG 162.A N MET 159.A O no hydrogen 3.152 N/A ARG 163.A NH2 GLU 136.A OE2 no hydrogen 2.841 N/A SER 165.A OG ARG 162.A O no hydrogen 2.872 N/A VAL 166.A N ARG 162.A O no hydrogen 2.872 N/A LEU 167.A N ARG 163.A O no hydrogen 3.313 N/A VAL 168.A N ALA 134.A O no hydrogen 3.223 N/A LYS 169.A N GLU 173.A OE1 no hydrogen 3.399 N/A ASN 171.A ND2 GLU 10.A OE1 no hydrogen 3.039 N/A GLU 173.A N SER 170.A OG no hydrogen 3.246 N/A GLY 174.A N SER 170.A O no hydrogen 3.081 N/A ILE 175.A N ASN 171.A O no hydrogen 2.819 N/A GLN 176.A N GLU 172.A O no hydrogen 3.101 N/A ARG 177.A N GLU 173.A O no hydrogen 3.189 N/A ARG 177.A NH1 SER 165.A O no hydrogen 2.433 N/A ARG 177.A NH2 SER 165.A O no hydrogen 2.913 N/A VAL 178.A N GLY 174.A O no hydrogen 3.057 N/A LEU 179.A N ILE 175.A O no hydrogen 3.034 N/A THR 180.A OG1 GLN 176.A O no hydrogen 2.604 N/A SER 181.A N ARG 177.A O no hydrogen 2.936 N/A SER 181.A OG ARG 177.A O no hydrogen 2.583 N/A TYR 183.A OH VAL 166.A O no hydrogen 2.720 N/A ALA 184.A N GLU 131.A O no hydrogen 2.951 N/A PHE 185.A N LEU 111.A O no hydrogen 2.793 N/A LEU 186.A N GLY 133.A O no hydrogen 2.872 N/A MET 187.A N SER 109.A O no hydrogen 3.076 N/A SER 189.A N GLY 107.A O no hydrogen 2.810 N/A SER 189.A OG GLY 107.A O no hydrogen 3.147 N/A THR 190.A OG1 TYR 13.A OH no hydrogen 3.092 N/A THR 191.A OG1 TYR 13.A OH no hydrogen 2.917 N/A ILE 192.A N GLU 188.A O no hydrogen 2.979 N/A GLU 193.A N SER 189.A O no hydrogen 2.904 N/A PHE 194.A N THR 191.A O no hydrogen 3.159 N/A VAL 195.A N THR 191.A O no hydrogen 3.165 N/A THR 196.A N ILE 192.A O no hydrogen 2.972 N/A THR 196.A OG1 ILE 192.A O no hydrogen 3.518 N/A THR 196.A OG1 GLU 193.A O no hydrogen 3.468 N/A GLN 197.A N GLU 193.A O no hydrogen 3.313 N/A ARG 198.A N VAL 195.A O no hydrogen 3.282 N/A ARG 198.A NH1 GLN 197.A OE1 no hydrogen 2.858 N/A ASN 199.A ND2 VAL 195.A O no hydrogen 2.962 N/A LEU 202.A N ASN 199.A O no hydrogen 2.753 N/A THR 203.A N TYR 112.A O no hydrogen 3.021 N/A THR 203.A OG1 GLN 204.A O no hydrogen 3.043 N/A GLN 204.A NE2 GLY 206.A O no hydrogen 3.045 N/A ILE 205.A N ILE 110.A O no hydrogen 2.750 N/A ILE 209.A N ILE 108.A O no hydrogen 2.660 N/A LYS 212.A N LEU 106.A O no hydrogen 2.820 N/A LYS 212.A NZ ASP 210.A OD2 no hydrogen 3.015 N/A TYR 214.A N MET 104.A O no hydrogen 2.955 N/A TYR 214.A OH GLU 188.A OE1 no hydrogen 2.634 N/A TYR 214.A OH THR 190.A OG1 no hydrogen 3.354 N/A GLY 215.A N LEU 87.A O no hydrogen 3.234 N/A VAL 216.A N SER 100.A OG no hydrogen 2.911 N/A GLY 217.A N ALA 83.A O no hydrogen 3.052 N/A THR 218.A N ASP 98.A O no hydrogen 2.901 N/A THR 218.A OG1 PRO 219.A O no hydrogen 3.031 N/A GLY 221.A N ASP 98.A OD2 no hydrogen 2.814 N/A SER 222.A N PRO 219.A O no hydrogen 3.194 N/A TYR 224.A N SER 222.A OG no hydrogen 3.170 N/A ARG 225.A N SER 222.A O no hydrogen 3.429 N/A ILE 228.A N TYR 224.A O no hydrogen 2.886 N/A THR 229.A N ARG 225.A O no hydrogen 3.064 N/A THR 229.A OG1 ARG 225.A O no hydrogen 3.321 N/A ILE 230.A N LYS 226.A O no hydrogen 3.091 N/A ALA 231.A N LYS 227.A O no hydrogen 3.086 N/A ILE 232.A N ILE 228.A O no hydrogen 2.829 N/A LEU 233.A N THR 229.A O no hydrogen 3.093 N/A GLN 234.A N ILE 230.A O no hydrogen 3.157 N/A LEU 235.A N ALA 231.A O no hydrogen 3.097 N/A GLN 236.A N ILE 232.A O no hydrogen 2.975 N/A GLU 237.A N LEU 233.A O no hydrogen 2.915 N/A GLU 238.A N GLN 234.A O no hydrogen 3.036 N/A GLY 239.A N GLN 236.A O no hydrogen 2.959 N/A LYS 240.A N LEU 235.A O no hydrogen 2.962 N/A LEU 241.A N LEU 235.A O no hydrogen 3.444 N/A MET 243.A N GLY 239.A O no hydrogen 3.203 N/A MET 244.A N LYS 240.A O no hydrogen 2.863 N/A LYS 245.A N LEU 241.A O no hydrogen 2.970 N/A GLU 246.A N HIS 242.A O no hydrogen 3.101 N/A LYS 247.A N MET 243.A O no hydrogen 2.982 N/A LYS 247.A NZ ASP 35.A OD2 no hydrogen 2.987 N/A TRP 248.A N MET 244.A O no hydrogen 3.078 N/A TRP 248.A NE1 ASP 35.A OD2 no hydrogen 2.891 N/A TRP 249.A N LYS 245.A O no hydrogen 2.865 N/A TRP 249.A NE1 THR 190.A O no hydrogen 2.974 N/A