Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xg3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 66.A O no hydrogen 2.877 N/A ASP 4.A N TYR 23.A OH no hydrogen 3.442 N/A ARG 5.A NE GLU 70.A OE1 no hydrogen 2.953 N/A ARG 5.A NH1 ARG 5.A O no hydrogen 3.142 N/A ARG 5.A NH2 GLU 70.A OE1 no hydrogen 2.720 N/A LEU 7.A N ASP 4.A O no hydrogen 3.139 N/A LEU 8.A N ARG 5.A O no hydrogen 3.080 N/A THR 9.A N TYR 22.A O no hydrogen 2.719 N/A GLU 11.A N LYS 20.A O no hydrogen 2.992 N/A LEU 15.A N VAL 18.A O no hydrogen 2.977 N/A THR 17.A OG1 ILE 36.A O no hydrogen 2.623 N/A LYS 19.A N VAL 34.A O no hydrogen 3.068 N/A LYS 19.A NZ ASP 12.A O no hydrogen 3.156 N/A GLY 21.A N VAL 32.A O no hydrogen 2.810 N/A TYR 22.A N THR 9.A O no hydrogen 2.557 N/A TYR 22.A OH GLU 11.A OE1 no hydrogen 3.307 N/A TYR 23.A N LYS 30.A O no hydrogen 3.041 N/A GLN 24.A N LEU 7.A O no hydrogen 2.858 N/A MET 25.A N VAL 28.A O no hydrogen 2.905 N/A VAL 28.A N MET 25.A O no hydrogen 3.280 N/A LYS 30.A N TYR 23.A O no hydrogen 3.041 N/A VAL 32.A N GLY 21.A O no hydrogen 2.928 N/A ALA 33.A N MET 76.A O no hydrogen 2.861 N/A VAL 34.A N LYS 19.A O no hydrogen 2.869 N/A LYS 35.A N LEU 74.A O no hydrogen 2.727 N/A ILE 36.A N THR 17.A O no hydrogen 2.947 N/A LEU 37.A N TRP 72.A O no hydrogen 3.168 N/A LEU 45.A N LEU 41.A O no hydrogen 3.144 N/A LEU 46.A N LYS 42.A O no hydrogen 3.246 N/A ALA 47.A N ASP 43.A O no hydrogen 2.808 N/A GLU 48.A N GLU 44.A O no hydrogen 2.992 N/A ALA 49.A N LEU 45.A O no hydrogen 3.016 N/A ASN 50.A N LEU 46.A O no hydrogen 2.931 N/A VAL 51.A N ALA 47.A O no hydrogen 2.974 N/A MET 52.A N GLU 48.A O no hydrogen 3.004 N/A GLN 53.A N ALA 49.A O no hydrogen 2.763 N/A GLN 54.A N VAL 51.A O no hydrogen 2.968 N/A GLN 54.A NE2 ASN 50.A O no hydrogen 2.795 N/A LEU 55.A N MET 52.A O no hydrogen 3.030 N/A ASP 56.A N TYR 112.A OH no hydrogen 3.081 N/A TYR 59.A N ASN 57.A OD1 no hydrogen 3.059 N/A ILE 60.A N ASN 57.A O no hydrogen 3.305 N/A VAL 61.A N ILE 138.A O no hydrogen 2.897 N/A ARG 62.A N GLU 77.A OE2 no hydrogen 3.409 N/A ILE 64.A N VAL 75.A O no hydrogen 2.754 N/A GLY 65.A N VAL 75.A O no hydrogen 3.256 N/A ILE 66.A N VAL 1.A O no hydrogen 3.190 N/A CYS 67.A N MET 73.A O no hydrogen 2.834 N/A CYS 67.A SG LEU 3.A O no hydrogen 3.511 N/A SER 71.A OG LEU 37.A O no hydrogen 3.221 N/A MET 73.A N CYS 67.A O no hydrogen 3.091 N/A LEU 74.A N LYS 35.A O no hydrogen 2.844 N/A VAL 75.A N GLY 65.A O no hydrogen 2.913 N/A MET 76.A N ALA 33.A O no hydrogen 2.739 N/A GLU 77.A N ARG 62.A O no hydrogen 3.177 N/A LEU 81.A N LEU 130.A O no hydrogen 3.164 N/A LEU 84.A N VAL 128.A O no hydrogen 2.757 N/A TYR 87.A N PRO 83.A O no hydrogen 3.163 N/A LEU 88.A N LEU 84.A O no hydrogen 3.017 N/A GLN 89.A N ASN 85.A O no hydrogen 2.976 N/A GLN 89.A NE2 GLY 197.A O no hydrogen 2.728 N/A GLN 90.A N LYS 86.A O no hydrogen 3.079 N/A ASN 91.A N LEU 88.A O no hydrogen 3.323 N/A ASN 91.A ND2 TYR 87.A O no hydrogen 2.772 N/A VAL 94.A N ASN 91.A O no hydrogen 2.993 N/A LYS 97.A N ASP 96.A OD1 no hydrogen 2.608 N/A ASN 98.A ND2 GLU 101.A OE1 no hydrogen 2.962 N/A ASN 98.A ND2 GLN 133.A O no hydrogen 3.176 N/A ILE 99.A N LYS 95.A O no hydrogen 3.078 N/A ILE 100.A N ASP 96.A O no hydrogen 2.826 N/A GLU 101.A N LYS 97.A O no hydrogen 3.087 N/A LEU 102.A N ASN 98.A O no hydrogen 3.107 N/A VAL 103.A N ILE 99.A O no hydrogen 2.878 N/A HIS 104.A N ILE 100.A O no hydrogen 2.895 N/A HIS 104.A NE2 GLU 251.A OE2 no hydrogen 2.771 N/A GLN 105.A N GLU 101.A O no hydrogen 3.020 N/A GLN 105.A NE2 HIS 134.A O no hydrogen 2.962 N/A VAL 106.A N LEU 102.A O no hydrogen 3.070 N/A SER 107.A N VAL 103.A O no hydrogen 2.977 N/A SER 107.A OG HIS 104.A O no hydrogen 2.621 N/A MET 108.A N HIS 104.A O no hydrogen 3.035 N/A GLY 109.A N GLN 105.A O no hydrogen 3.081 N/A MET 110.A N VAL 106.A O no hydrogen 2.863 N/A LYS 111.A N SER 107.A O no hydrogen 2.801 N/A TYR 112.A N MET 108.A O no hydrogen 3.001 N/A LEU 113.A N GLY 109.A O no hydrogen 3.123 N/A GLU 114.A N MET 110.A O no hydrogen 2.915 N/A GLU 115.A N LYS 111.A O no hydrogen 2.936 N/A SER 116.A N TYR 112.A O no hydrogen 2.915 N/A SER 116.A OG TYR 112.A O no hydrogen 2.582 N/A ASN 117.A N GLU 114.A O no hydrogen 2.941 N/A PHE 118.A N LEU 113.A O no hydrogen 3.037 N/A VAL 119.A N LYS 145.A O no hydrogen 2.812 N/A HIS 120.A N ASP 182.A OD2 no hydrogen 2.861 N/A HIS 120.A NE2 SER 139.A O no hydrogen 2.767 N/A ARG 121.A N ASP 182.A OD1 no hydrogen 3.113 N/A ARG 121.A NH1 LEU 143.A O no hydrogen 2.824 N/A ASP 122.A N HIS 120.A ND1 no hydrogen 3.272 N/A ALA 125.A N GLU 192.A OE1 no hydrogen 2.993 N/A ARG 126.A NH2 ASP 122.A OD1 no hydrogen 3.000 N/A ASN 127.A N ALA 124.A O no hydrogen 2.912 N/A ASN 127.A ND2 ASP 122.A O no hydrogen 2.695 N/A ASN 127.A ND2 ASP 122.A OD2 no hydrogen 3.239 N/A VAL 128.A N ALA 125.A O no hydrogen 3.199 N/A LEU 129.A N LYS 137.A O no hydrogen 2.736 N/A LEU 130.A N GLY 82.A O no hydrogen 2.936 N/A VAL 131.A N TYR 135.A O no hydrogen 2.794 N/A GLN 133.A NE2 ASN 98.A OD1 no hydrogen 3.161 N/A HIS 134.A N THR 132.A OG1 no hydrogen 3.071 N/A HIS 134.A ND1 GLU 101.A OE1 no hydrogen 2.785 N/A TYR 135.A N THR 132.A O no hydrogen 3.254 N/A TYR 135.A OH PRO 58.A O no hydrogen 2.715 N/A ALA 136.A N GLN 105.A OE1 no hydrogen 2.914 N/A LYS 137.A N LEU 129.A O no hydrogen 2.671 N/A LYS 137.A NZ PRO 58.A O no hydrogen 2.992 N/A LYS 137.A NZ ILE 60.A O no hydrogen 3.433 N/A LYS 137.A NZ GLU 77.A OE2 no hydrogen 2.981 N/A LYS 137.A NZ TYR 135.A OH no hydrogen 3.283 N/A ILE 138.A N TYR 59.A O no hydrogen 2.869 N/A SER 139.A N ASN 127.A O no hydrogen 2.957 N/A SER 139.A OG ASN 127.A O no hydrogen 3.160 N/A SER 139.A OG ASP 140.A OD2 no hydrogen 3.276 N/A SER 144.A N PHE 141.A O no hydrogen 2.926 N/A SER 144.A OG PHE 141.A O no hydrogen 2.691 N/A LYS 145.A N VAL 119.A O no hydrogen 2.933 N/A LEU 147.A N ASN 117.A O no hydrogen 2.707 N/A ARG 148.A N GLU 151.A OE1 no hydrogen 3.470 N/A ARG 148.A NE ASP 150.A OD1 no hydrogen 2.915 N/A ARG 148.A NH1 ASP 150.A OD1 no hydrogen 3.221 N/A ARG 148.A NH1 ASP 150.A OD2 no hydrogen 2.708 N/A GLU 151.A N ARG 148.A O no hydrogen 3.242 N/A TYR 154.A N PHE 177.A O no hydrogen 2.744 N/A ALA 156.A N TYR 175.A O no hydrogen 3.008 N/A LYS 165.A NZ PRO 200.A O no hydrogen 3.516 N/A LYS 165.A NZ TYR 201.A O no hydrogen 3.016 N/A LYS 165.A NZ MET 204.A O no hydrogen 3.265 N/A TRP 166.A N PRO 163.A O no hydrogen 3.049 N/A TRP 166.A NE1 GLU 192.A OE1 no hydrogen 2.913 N/A TYR 167.A N VAL 164.A O no hydrogen 3.117 N/A TYR 167.A OH ARG 121.A O no hydrogen 2.540 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.986 N/A CYS 171.A SG LYS 176.A O no hydrogen 3.461 N/A ILE 172.A N ALA 168.A O no hydrogen 3.258 N/A ASN 173.A N PRO 169.A O no hydrogen 2.721 N/A TYR 174.A N GLU 170.A O no hydrogen 2.906 N/A TYR 175.A N CYS 171.A O no hydrogen 3.050 N/A LYS 176.A N GLU 170.A O no hydrogen 3.356 N/A PHE 177.A N TYR 154.A O no hydrogen 2.863 N/A SER 178.A N SER 181.A OG no hydrogen 2.712 N/A LYS 180.A NZ VAL 241.A O no hydrogen 3.383 N/A LYS 180.A NZ ARG 244.A O no hydrogen 3.015 N/A SER 181.A N SER 178.A OG no hydrogen 3.322 N/A SER 181.A OG SER 178.A O no hydrogen 2.642 N/A ASP 182.A N SER 178.A O no hydrogen 3.199 N/A VAL 183.A N SER 179.A O no hydrogen 2.996 N/A TRP 184.A N LYS 180.A O no hydrogen 3.225 N/A SER 185.A N SER 181.A O no hydrogen 3.108 N/A SER 185.A OG TRP 166.A O no hydrogen 2.694 N/A SER 185.A OG SER 181.A O no hydrogen 3.242 N/A PHE 186.A N ASP 182.A O no hydrogen 2.785 N/A GLY 187.A N VAL 183.A O no hydrogen 2.886 N/A VAL 188.A N TRP 184.A O no hydrogen 3.189 N/A LEU 189.A N SER 185.A O no hydrogen 2.785 N/A MET 190.A N PHE 186.A O no hydrogen 2.847 N/A TRP 191.A N GLY 187.A O no hydrogen 3.000 N/A TRP 191.A NE1 GLY 220.A O no hydrogen 2.822 N/A GLU 192.A N VAL 188.A O no hydrogen 2.897 N/A ALA 193.A N LEU 189.A O no hydrogen 3.032 N/A PHE 194.A N MET 190.A O no hydrogen 3.010 N/A SER 195.A N TRP 191.A O no hydrogen 3.018 N/A SER 195.A OG TRP 191.A O no hydrogen 2.713 N/A TYR 196.A N ALA 193.A O no hydrogen 2.914 N/A TYR 196.A OH VAL 94.A O no hydrogen 2.560 N/A GLY 197.A N GLU 192.A O no hydrogen 2.790 N/A GLN 198.A N SER 195.A O no hydrogen 3.252 N/A MET 204.A N TYR 201.A O no hydrogen 3.164 N/A LYS 205.A N GLU 208.A OE1 no hydrogen 2.896 N/A GLU 208.A N LYS 205.A O no hydrogen 3.009 N/A VAL 209.A N LYS 205.A O no hydrogen 3.097 N/A THR 210.A N GLY 206.A O no hydrogen 3.017 N/A THR 210.A OG1 GLY 206.A O no hydrogen 3.133 N/A ALA 211.A N SER 207.A O no hydrogen 3.180 N/A MET 212.A N GLU 208.A O no hydrogen 2.918 N/A LEU 213.A N VAL 209.A O no hydrogen 3.015 N/A GLU 214.A N THR 210.A O no hydrogen 2.994 N/A LYS 215.A N ALA 211.A O no hydrogen 3.171 N/A LYS 215.A N MET 212.A O no hydrogen 3.130 N/A LYS 215.A NZ GLU 217.A OE1 no hydrogen 3.488 N/A GLY 216.A N LEU 213.A O no hydrogen 3.004 N/A GLU 217.A N MET 212.A O no hydrogen 3.142 N/A ARG 218.A NE TRP 237.A O no hydrogen 2.974 N/A ARG 218.A NH1 LEU 213.A O no hydrogen 3.218 N/A ARG 218.A NH1 GLU 217.A O no hydrogen 2.845 N/A ARG 218.A NH2 TRP 237.A O no hydrogen 2.996 N/A CYS 221.A SG PRO 222.A O no hydrogen 3.640 N/A CYS 221.A SG CYS 225.A O no hydrogen 3.821 N/A CYS 225.A N PRO 222.A O no hydrogen 2.976 N/A CYS 225.A SG PRO 226.A O no hydrogen 3.443 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.790 N/A MET 229.A N PRO 226.A O no hydrogen 2.914 N/A TYR 230.A N PRO 226.A O no hydrogen 3.074 N/A TYR 230.A OH MET 219.A O no hydrogen 2.868 N/A ASP 231.A N ARG 227.A O no hydrogen 2.852 N/A LEU 232.A N GLU 228.A O no hydrogen 3.155 N/A MET 233.A N MET 229.A O no hydrogen 3.103 N/A ASN 234.A N TYR 230.A O no hydrogen 3.247 N/A LEU 235.A N ASP 231.A O no hydrogen 3.079 N/A CYS 236.A N LEU 232.A O no hydrogen 2.877 N/A CYS 236.A SG LEU 232.A O no hydrogen 3.404 N/A TRP 237.A N MET 233.A O no hydrogen 2.920 N/A THR 238.A N LEU 235.A O no hydrogen 3.265 N/A THR 238.A OG1 LEU 235.A O no hydrogen 2.669 N/A TYR 239.A OH GLU 214.A OE1 no hydrogen 2.920 N/A ARG 244.A N ASP 240.A O no hydrogen 3.218 N/A ARG 244.A N VAL 241.A O no hydrogen 3.249 N/A ARG 244.A NE THR 238.A O no hydrogen 2.738 N/A ARG 244.A NH1 GLU 170.A OE1 no hydrogen 3.491 N/A ARG 244.A NH1 GLU 170.A OE2 no hydrogen 2.850 N/A ARG 244.A NH1 LYS 180.A O no hydrogen 3.090 N/A ARG 244.A NH2 GLU 170.A OE1 no hydrogen 2.965 N/A ARG 244.A NH2 THR 238.A O no hydrogen 2.839 N/A ARG 244.A NH2 TYR 239.A O no hydrogen 3.064 N/A PHE 247.A N GLU 114.A OE2 no hydrogen 3.055 N/A VAL 250.A N GLY 246.A O no hydrogen 3.138 N/A GLU 251.A N PHE 247.A O no hydrogen 2.650 N/A LEU 252.A N ALA 248.A O no hydrogen 2.921 N/A ARG 253.A N ALA 249.A O no hydrogen 3.114 N/A LEU 254.A N VAL 250.A O no hydrogen 3.010 N/A ARG 255.A N GLU 251.A O no hydrogen 2.814 N/A ARG 255.A NE GLU 251.A OE2 no hydrogen 3.262 N/A ARG 255.A NH2 GLU 251.A OE1 no hydrogen 2.795 N/A ASN 256.A N LEU 252.A O no hydrogen 2.934 N/A TYR 257.A N ARG 253.A O no hydrogen 3.112 N/A TYR 257.A OH GLU 228.A OE1 no hydrogen 3.171 N/A TYR 258.A N LEU 254.A O no hydrogen 2.761 N/A TYR 259.A N ARG 255.A O no hydrogen 2.862 N/A ASP 260.A N ASN 256.A O no hydrogen 3.010 N/A VAL 261.A N TYR 257.A O no hydrogen 3.068 N/A VAL 261.A N TYR 258.A O no hydrogen 3.187 N/A VAL 262.A N TYR 258.A O no hydrogen 3.013 N/A