Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wbx_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 11.A NE2 GLY 48.A O no hydrogen 2.770 N/A THR 12.A OG1 GLN 24.A OE1 no hydrogen 2.608 N/A ILE 14.A N MET 22.A O no hydrogen 2.762 N/A SER 15.A OG THR 21.A OG1 no hydrogen 2.996 N/A PHE 16.A N HIS 20.A O no hydrogen 2.702 N/A HIS 17.A ND1 ASN 185.A O no hydrogen 3.147 N/A GLY 19.A N PHE 16.A O no hydrogen 3.336 N/A HIS 20.A N ASP 18.A OD1 no hydrogen 2.865 N/A THR 21.A OG1 SER 15.A OG no hydrogen 2.996 N/A MET 22.A N ILE 14.A O no hydrogen 2.736 N/A GLN 24.A N THR 12.A O no hydrogen 3.096 N/A GLN 24.A NE2 LEU 225.A O no hydrogen 2.948 N/A GLN 24.A NE2 LEU 229.A O no hydrogen 2.986 N/A GLY 26.A N VAL 231.A O no hydrogen 2.882 N/A LEU 27.A N SER 51.A O no hydrogen 2.797 N/A GLY 28.A N PRO 233.A O no hydrogen 2.986 N/A VAL 29.A N ASP 53.A O no hydrogen 2.955 N/A TRP 30.A NE1 ASP 53.A OD1 no hydrogen 2.909 N/A GLU 36.A N PRO 33.A O no hydrogen 3.033 N/A THR 37.A OG1 PRO 33.A O no hydrogen 2.729 N/A VAL 40.A N GLU 36.A O no hydrogen 3.057 N/A VAL 41.A N THR 37.A O no hydrogen 3.026 N/A LYS 42.A N ALA 38.A O no hydrogen 3.004 N/A LYS 42.A NZ LYS 66.A O no hydrogen 3.331 N/A GLU 43.A N GLU 39.A O no hydrogen 3.204 N/A ALA 44.A N VAL 40.A O no hydrogen 3.108 N/A VAL 45.A N VAL 41.A O no hydrogen 2.991 N/A LYS 46.A N LYS 42.A O no hydrogen 3.010 N/A LEU 47.A N GLU 43.A O no hydrogen 2.925 N/A GLY 48.A N ALA 44.A O no hydrogen 3.021 N/A GLY 48.A N VAL 45.A O no hydrogen 3.320 N/A TYR 49.A N ALA 44.A O no hydrogen 2.788 N/A TYR 49.A OH LEU 241.A O no hydrogen 2.565 N/A VAL 52.A N PHE 75.A O no hydrogen 2.772 N/A ASP 53.A N LEU 27.A O no hydrogen 2.863 N/A THR 54.A N THR 77.A O no hydrogen 3.107 N/A THR 54.A OG1 ASN 60.A OD1 no hydrogen 2.768 N/A ARG 56.A N LYS 79.A O no hydrogen 3.470 N/A TYR 58.A N ALA 55.A O no hydrogen 3.126 N/A LYS 59.A N ARG 56.A O no hydrogen 3.166 N/A ASN 60.A ND2 VAL 29.A O no hydrogen 3.354 N/A ASN 60.A ND2 THR 32.A O no hydrogen 3.072 N/A VAL 64.A N ASN 60.A O no hydrogen 2.943 N/A GLY 65.A N GLU 61.A O no hydrogen 2.969 N/A LYS 66.A N GLU 62.A O no hydrogen 3.050 N/A GLY 67.A N GLY 63.A O no hydrogen 2.922 N/A LEU 68.A N VAL 64.A O no hydrogen 2.958 N/A GLU 69.A N LYS 66.A O no hydrogen 3.073 N/A HIS 71.A N LEU 68.A O no hydrogen 3.079 N/A HIS 71.A ND1 GLU 73.A OE2 no hydrogen 2.717 N/A GLU 73.A N GLU 73.A OE1 no hydrogen 2.913 N/A ILE 74.A N HIS 71.A O no hydrogen 3.354 N/A PHE 75.A N ARG 50.A O no hydrogen 2.722 N/A LEU 76.A N ASP 107.A OD1 no hydrogen 2.675 N/A THR 77.A N VAL 52.A O no hydrogen 3.043 N/A THR 78.A N LEU 108.A O no hydrogen 3.161 N/A THR 78.A OG1 GLU 61.A OE2 no hydrogen 2.466 N/A LYS 79.A N THR 78.A OG1 no hydrogen 2.962 N/A LYS 79.A NZ ASP 53.A OD1 no hydrogen 3.051 N/A LYS 79.A NZ ASP 53.A OD2 no hydrogen 3.537 N/A LYS 79.A NZ THR 54.A O no hydrogen 2.777 N/A LEU 80.A N LEU 110.A O no hydrogen 2.795 N/A GLU 84.A N TRP 81.A O no hydrogen 2.994 N/A GLN 85.A N ASN 82.A O no hydrogen 3.237 N/A GLN 85.A NE2 TRP 113.A O no hydrogen 2.792 N/A GLN 85.A NE2 PRO 114.A O no hydrogen 3.633 N/A GLY 86.A N THR 124.A OG1 no hydrogen 3.113 N/A SER 89.A OG GLU 84.A O no hydrogen 2.868 N/A THR 90.A N GLY 86.A O no hydrogen 3.037 N/A THR 90.A N TYR 87.A O no hydrogen 3.369 N/A THR 90.A OG1 GLU 84.A O no hydrogen 3.538 N/A THR 90.A OG1 GLY 86.A O no hydrogen 2.503 N/A LEU 91.A N TYR 87.A O no hydrogen 3.312 N/A ARG 92.A N ASP 88.A O no hydrogen 3.189 N/A ALA 93.A N SER 89.A O no hydrogen 3.167 N/A TYR 94.A N THR 90.A O no hydrogen 2.805 N/A TYR 94.A OH ARG 136.A O no hydrogen 2.457 N/A GLU 95.A N LEU 91.A O no hydrogen 3.160 N/A GLU 96.A N ARG 92.A O no hydrogen 2.813 N/A SER 97.A N ALA 93.A O no hydrogen 2.937 N/A SER 97.A OG GLU 61.A OE1 no hydrogen 3.476 N/A SER 97.A OG GLU 61.A OE2 no hydrogen 3.071 N/A SER 97.A OG ALA 93.A O no hydrogen 3.400 N/A ALA 98.A N TYR 94.A O no hydrogen 2.910 N/A ARG 99.A N GLU 95.A O no hydrogen 3.030 N/A LEU 100.A N GLU 96.A O no hydrogen 2.913 N/A LEU 101.A N SER 97.A O no hydrogen 2.832 N/A ARG 102.A N ARG 99.A O no hydrogen 3.120 N/A ARG 103.A N ALA 98.A O no hydrogen 3.024 N/A ARG 103.A NH1 ILE 74.A O no hydrogen 2.768 N/A ARG 103.A NH2 ILE 74.A O no hydrogen 2.383 N/A LEU 106.A N TYR 94.A OH no hydrogen 2.982 N/A ASP 107.A N LEU 76.A O no hydrogen 3.160 N/A LEU 108.A N LEU 76.A O no hydrogen 3.201 N/A TYR 109.A N SER 139.A O no hydrogen 3.089 N/A LEU 110.A N THR 78.A O no hydrogen 2.995 N/A ILE 111.A N GLY 141.A O no hydrogen 3.340 N/A HIS 112.A N LEU 80.A O no hydrogen 3.229 N/A GLN 118.A N MET 115.A O no hydrogen 2.897 N/A GLY 119.A N PRO 116.A O no hydrogen 3.262 N/A THR 124.A N GLN 120.A O no hydrogen 2.976 N/A THR 124.A OG1 GLN 120.A O no hydrogen 2.667 N/A TRP 125.A N TYR 121.A O no hydrogen 2.989 N/A TRP 125.A NE1 VAL 159.A O no hydrogen 3.038 N/A LYS 126.A N VAL 122.A O no hydrogen 3.043 N/A LYS 126.A NZ GLU 123.A OE2 no hydrogen 3.047 N/A ALA 127.A N GLU 123.A O no hydrogen 3.076 N/A LEU 128.A N THR 124.A O no hydrogen 2.968 N/A VAL 129.A N TRP 125.A O no hydrogen 2.690 N/A GLU 130.A N LYS 126.A O no hydrogen 3.097 N/A LEU 131.A N ALA 127.A O no hydrogen 2.902 N/A LYS 132.A N LEU 128.A O no hydrogen 2.862 N/A LYS 132.A NZ ASP 18.A OD2 no hydrogen 3.003 N/A LYS 132.A NZ LYS 138.A O no hydrogen 2.771 N/A LYS 133.A N VAL 129.A O no hydrogen 2.877 N/A SER 134.A N GLU 130.A O no hydrogen 2.881 N/A SER 134.A OG GLU 130.A O no hydrogen 2.738 N/A SER 134.A OG LEU 131.A O no hydrogen 3.397 N/A GLY 135.A N LYS 132.A O no hydrogen 2.977 N/A ARG 136.A N LEU 131.A O no hydrogen 2.932 N/A ARG 136.A NE GLU 95.A OE2 no hydrogen 2.790 N/A ARG 136.A NH1 PRO 104.A O no hydrogen 3.023 N/A ARG 136.A NH2 GLU 95.A OE1 no hydrogen 3.045 N/A ARG 136.A NH2 GLU 95.A OE2 no hydrogen 3.120 N/A ARG 136.A NH2 PRO 104.A O no hydrogen 2.759 N/A VAL 137.A N LEU 131.A O no hydrogen 3.300 N/A LYS 138.A N LEU 106.A O no hydrogen 2.993 N/A SER 139.A N ASP 107.A O no hydrogen 3.146 N/A SER 139.A OG ASP 18.A OD2 no hydrogen 2.592 N/A GLY 141.A N TYR 109.A O no hydrogen 2.985 N/A VAL 142.A N VAL 163.A O no hydrogen 2.894 N/A SER 143.A N ILE 111.A O no hydrogen 2.794 N/A SER 143.A OG HIS 112.A O no hydrogen 3.346 N/A SER 143.A OG GLN 165.A O no hydrogen 2.954 N/A ASN 144.A N GLN 165.A O no hydrogen 2.964 N/A ASN 144.A ND2 HIS 112.A O no hydrogen 2.759 N/A PHE 145.A N ASN 164.A OD1 no hydrogen 3.436 N/A GLU 146.A N HIS 149.A ND1 no hydrogen 2.906 N/A HIS 149.A N GLU 146.A O no hydrogen 2.899 N/A LEU 150.A N GLU 146.A O no hydrogen 3.057 N/A GLU 151.A N SER 147.A O no hydrogen 2.774 N/A ARG 152.A N GLU 148.A O no hydrogen 3.141 N/A ARG 152.A NH1 TYR 121.A OH no hydrogen 3.364 N/A ILE 153.A N HIS 149.A O no hydrogen 3.249 N/A MET 154.A N LEU 150.A O no hydrogen 3.038 N/A ASP 155.A N GLU 151.A O no hydrogen 2.912 N/A ALA 156.A N ARG 152.A O no hydrogen 3.041 N/A THR 157.A OG1 ILE 153.A O no hydrogen 2.569 N/A THR 157.A OG1 VAL 159.A O no hydrogen 3.545 N/A GLY 158.A N MET 154.A O no hydrogen 2.717 N/A VAL 159.A N THR 157.A OG1 no hydrogen 3.220 N/A VAL 162.A N ILE 140.A O no hydrogen 3.214 N/A ASN 164.A N ARG 187.A O no hydrogen 3.030 N/A ASN 164.A ND2 PHE 145.A O no hydrogen 2.824 N/A GLN 165.A N VAL 142.A O no hydrogen 2.951 N/A GLN 165.A NE2 ASP 53.A OD2 no hydrogen 3.129 N/A GLN 165.A NE2 GLU 189.A OE1 no hydrogen 2.838 N/A ILE 166.A N GLU 189.A O no hydrogen 2.778 N/A LEU 168.A N TRP 191.A O no hydrogen 2.959 N/A HIS 169.A N PHE 172.A O no hydrogen 3.040 N/A HIS 169.A NE2 GLU 167.A OE2 no hydrogen 2.633 N/A PHE 172.A N HIS 169.A O no hydrogen 2.886 N/A GLN 173.A N ASP 264.A OD1 no hydrogen 2.713 N/A GLN 173.A NE2 PRO 170.A O no hydrogen 2.874 N/A GLN 173.A NE2 ILE 260.A O no hydrogen 2.727 N/A GLN 173.A NE2 GLU 261.A O no hydrogen 3.284 N/A GLN 174.A NE2 GLU 167.A O no hydrogen 2.779 N/A ARG 178.A N GLN 174.A O no hydrogen 2.931 N/A ARG 178.A NE GLN 173.A O no hydrogen 3.050 N/A ARG 178.A NH2 GLN 173.A O no hydrogen 3.136 N/A GLU 179.A N ARG 175.A O no hydrogen 2.791 N/A PHE 180.A N ALA 176.A O no hydrogen 3.146 N/A HIS 181.A N LEU 177.A O no hydrogen 2.787 N/A GLU 182.A N ARG 178.A O no hydrogen 3.001 N/A LYS 183.A N GLU 179.A O no hydrogen 3.387 N/A HIS 184.A N HIS 181.A O no hydrogen 3.235 N/A HIS 184.A ND1 PHE 180.A O no hydrogen 3.205 N/A ASN 185.A N GLU 182.A O no hydrogen 3.136 N/A ILE 186.A N HIS 181.A O no hydrogen 2.834 N/A ARG 187.A N VAL 162.A O no hydrogen 2.950 N/A ARG 187.A NE SER 15.A O no hydrogen 2.642 N/A ARG 187.A NH1 ASN 185.A OD1 no hydrogen 2.745 N/A ARG 187.A NH2 SER 15.A O no hydrogen 2.872 N/A GLU 189.A N ASN 164.A O no hydrogen 3.149 N/A SER 190.A N ILE 230.A O no hydrogen 2.836 N/A SER 190.A OG HIS 224.A ND1 no hydrogen 2.895 N/A SER 190.A OG ILE 230.A O no hydrogen 3.146 N/A TRP 191.A N ILE 166.A O no hydrogen 2.864 N/A TRP 191.A NE1 ASN 144.A OD1 no hydrogen 2.759 N/A GLY 195.A N ARG 192.A O no hydrogen 3.052 N/A GLY 197.A N LEU 194.A O no hydrogen 3.047 N/A ARG 198.A N GLY 195.A O no hydrogen 3.160 N/A LEU 200.A N GLY 197.A O no hydrogen 2.919 N/A ASP 202.A N VAL 199.A O no hydrogen 2.959 N/A ARG 204.A N ASP 202.A OD1 no hydrogen 3.057 N/A ARG 204.A NE ASP 202.A OD1 no hydrogen 3.013 N/A ARG 204.A NH2 ASP 202.A OD2 no hydrogen 3.285 N/A GLY 206.A N ASP 202.A O no hydrogen 2.704 N/A LYS 207.A N GLU 203.A O no hydrogen 2.822 N/A ILE 208.A N ARG 204.A O no hydrogen 3.437 N/A ALA 209.A N ILE 205.A O no hydrogen 2.930 N/A GLU 210.A N GLY 206.A O no hydrogen 3.030 N/A LYS 211.A N LYS 207.A O no hydrogen 3.033 N/A LYS 211.A NZ ASP 253.A OD1 no hydrogen 3.251 N/A LYS 211.A NZ ASP 253.A OD2 no hydrogen 2.498 N/A LYS 211.A NZ ASP 256.A OD1 no hydrogen 2.649 N/A LYS 211.A NZ ASP 256.A OD2 no hydrogen 3.375 N/A HIS 212.A N ILE 208.A O no hydrogen 3.161 N/A HIS 212.A NE2 ASP 256.A OD2 no hydrogen 2.570 N/A SER 213.A N GLU 210.A O no hydrogen 3.378 N/A ARG 214.A N ALA 209.A O no hydrogen 3.091 N/A ARG 214.A NH1 SER 213.A O no hydrogen 3.319 N/A THR 215.A OG1 GLU 243.A OE2 no hydrogen 2.996 N/A GLN 218.A N THR 215.A OG1 no hydrogen 3.212 N/A VAL 219.A N THR 215.A O no hydrogen 3.003 N/A VAL 220.A N PRO 216.A O no hydrogen 3.015 N/A ILE 221.A N ALA 217.A O no hydrogen 2.855 N/A ARG 222.A N GLN 218.A O no hydrogen 2.918 N/A ARG 222.A NH1 VAL 247.A O no hydrogen 3.137 N/A TRP 223.A N VAL 219.A O no hydrogen 3.003 N/A HIS 224.A N VAL 220.A O no hydrogen 3.177 N/A HIS 224.A NE2 PRO 193.A O no hydrogen 2.912 N/A LEU 225.A N ILE 221.A O no hydrogen 3.029 N/A GLN 226.A N ARG 222.A O no hydrogen 2.825 N/A ASN 227.A N HIS 224.A O no hydrogen 3.147 N/A ASN 227.A ND2 TRP 223.A O no hydrogen 2.859 N/A GLY 228.A N LEU 225.A O no hydrogen 2.975 N/A LEU 229.A N HIS 224.A O no hydrogen 3.047 N/A ILE 230.A N THR 188.A O no hydrogen 2.896 N/A VAL 231.A N GLN 24.A O no hydrogen 2.808 N/A LYS 234.A NZ GLU 31.A OE1 no hydrogen 2.537 N/A LYS 234.A NZ GLU 31.A OE2 no hydrogen 3.314 N/A SER 235.A OG LYS 234.A O no hydrogen 2.983 N/A ARG 240.A N ASN 237.A O no hydrogen 2.997 N/A LEU 241.A N ASN 237.A O no hydrogen 2.907 N/A ALA 242.A N PRO 238.A O no hydrogen 3.108 N/A GLU 243.A N LYS 239.A O no hydrogen 3.209 N/A ASN 244.A N ARG 240.A O no hydrogen 2.713 N/A LEU 245.A N LEU 241.A O no hydrogen 3.196 N/A ASP 246.A N ALA 242.A O no hydrogen 3.172 N/A ASP 246.A N GLU 243.A O no hydrogen 3.082 N/A VAL 247.A N LEU 245.A O no hydrogen 2.958 N/A ASP 253.A N ASP 256.A OD2 no hydrogen 3.001 N/A ASP 256.A N ASP 253.A OD1 no hydrogen 2.813 N/A MET 257.A N ASP 253.A O no hydrogen 3.062 N/A GLN 258.A N ALA 254.A O no hydrogen 3.006 N/A ALA 259.A N ASP 255.A O no hydrogen 2.966 N/A ILE 260.A N ASP 256.A O no hydrogen 3.167 N/A GLU 261.A N MET 257.A O no hydrogen 2.913 N/A GLN 262.A N GLN 258.A O no hydrogen 2.965 N/A MET 263.A N ILE 260.A O no hydrogen 2.808 N/A ASP 264.A N GLU 261.A O no hydrogen 3.361 N/A ARG 265.A N ASP 171.A O no hydrogen 2.920 N/A GLY 268.A N ARG 265.A O no hydrogen 3.262 N/A MET 270.A N GLU 167.A OE2 no hydrogen 2.836 N/A GLY 271.A N GLU 167.A OE1 no hydrogen 2.809 N/A ASN 275.A N ASP 273.A OD1 no hydrogen 3.047 N/A THR 276.A N ASP 273.A O no hydrogen 2.971 N/A ALA 277.A N ASP 273.A O no hydrogen 2.781 N/A