Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qbl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N GLU 6.A OE1 no hydrogen 2.452 N/A LEU 7.A N THR 3.A O no hydrogen 3.230 N/A PHE 8.A N GLN 4.A O no hydrogen 2.652 N/A GLU 9.A N ARG 5.A O no hydrogen 2.791 N/A GLU 9.A N GLU 6.A O no hydrogen 3.234 N/A PHE 10.A N GLU 6.A O no hydrogen 2.752 N/A PHE 10.A N LEU 7.A O no hydrogen 3.075 N/A VAL 11.A N LEU 7.A O no hydrogen 3.069 N/A LEU 12.A N PHE 8.A O no hydrogen 3.477 N/A ASN 13.A ND2 GLU 9.A O no hydrogen 2.801 N/A ALA 18.A N ASP 14.A O no hydrogen 2.920 N/A SER 19.A N PRO 15.A O no hydrogen 2.888 N/A SER 19.A OG PRO 15.A O no hydrogen 2.778 N/A SER 19.A OG LEU 16.A O no hydrogen 2.778 N/A SER 20.A N LEU 16.A O no hydrogen 2.890 N/A SER 20.A OG LEU 17.A O no hydrogen 2.724 N/A SER 20.A OG SER 228.A OG no hydrogen 2.762 N/A LEU 21.A N ALA 18.A O no hydrogen 2.940 N/A TYR 22.A N ALA 18.A O no hydrogen 2.771 N/A ILE 23.A N SER 19.A O no hydrogen 3.021 N/A ILE 25.A N LEU 21.A O no hydrogen 3.301 N/A ILE 25.A N TYR 22.A O no hydrogen 3.128 N/A ALA 26.A N TYR 22.A O no hydrogen 3.221 N/A LEU 27.A N ILE 23.A O no hydrogen 2.873 N/A ALA 28.A N ASN 24.A O no hydrogen 2.948 N/A GLY 29.A N ILE 25.A O no hydrogen 3.145 N/A LEU 30.A N ALA 26.A O no hydrogen 2.911 N/A SER 31.A N LEU 27.A O no hydrogen 2.866 N/A SER 31.A OG LEU 27.A O no hydrogen 2.953 N/A ILE 32.A N ALA 28.A O no hydrogen 3.132 N/A LEU 33.A N GLY 29.A O no hydrogen 3.421 N/A LEU 34.A N LEU 30.A O no hydrogen 3.112 N/A PHE 35.A N SER 31.A O no hydrogen 2.851 N/A VAL 36.A N ILE 32.A O no hydrogen 2.752 N/A PHE 37.A N LEU 33.A O no hydrogen 2.837 N/A MET 38.A N LEU 34.A O no hydrogen 2.806 N/A THR 39.A N PHE 35.A O no hydrogen 3.069 N/A THR 39.A N VAL 36.A O no hydrogen 3.114 N/A THR 39.A OG1 PHE 35.A O no hydrogen 2.676 N/A THR 39.A OG1 VAL 36.A O no hydrogen 3.107 N/A ARG 40.A N PHE 37.A O no hydrogen 3.469 N/A LEU 42.A N THR 39.A O no hydrogen 3.367 N/A ASP 43.A N GLU 254.A OE1 no hydrogen 2.761 N/A ASP 44.A N GLU 254.A OE1 no hydrogen 2.598 N/A ARG 46.A NH1 VAL 257.A O no hydrogen 2.998 N/A ARG 46.A NH2 LEU 123.A O no hydrogen 2.622 N/A ALA 47.A N ASP 44.A OD2 no hydrogen 2.877 N/A LYS 48.A N ASP 44.A O no hydrogen 2.835 N/A LEU 49.A N ARG 46.A O no hydrogen 3.099 N/A ILE 50.A N ARG 46.A O no hydrogen 3.297 N/A ALA 51.A N ALA 47.A O no hydrogen 3.314 N/A VAL 52.A N LYS 48.A O no hydrogen 3.046 N/A SER 53.A N LEU 49.A O no hydrogen 3.048 N/A SER 53.A OG MET 116.A O no hydrogen 2.840 N/A THR 54.A N ILE 50.A O no hydrogen 3.168 N/A THR 54.A OG1 ILE 50.A O no hydrogen 2.618 N/A ILE 55.A N ALA 51.A O no hydrogen 2.924 N/A LEU 56.A N VAL 52.A O no hydrogen 3.049 N/A VAL 57.A N THR 54.A O no hydrogen 3.135 N/A VAL 59.A N ILE 55.A O no hydrogen 3.380 N/A VAL 60.A N LEU 56.A O no hydrogen 2.806 N/A SER 61.A N VAL 57.A O no hydrogen 3.004 N/A SER 61.A OG TYR 240.A OH no hydrogen 2.790 N/A ILE 62.A N PRO 58.A O no hydrogen 3.014 N/A ALA 63.A N VAL 59.A O no hydrogen 3.483 N/A SER 64.A N VAL 60.A O no hydrogen 2.939 N/A SER 64.A OG THR 109.A OG1 no hydrogen 2.648 N/A TYR 65.A N SER 61.A O no hydrogen 2.975 N/A TYR 65.A OH SER 232.A OG no hydrogen 3.381 N/A TYR 65.A OH ASP 235.A OD2 no hydrogen 2.517 N/A THR 66.A N ILE 62.A O no hydrogen 3.023 N/A THR 66.A OG1 ILE 62.A O no hydrogen 2.826 N/A GLY 67.A N ALA 63.A O no hydrogen 2.999 N/A LEU 68.A N SER 64.A O no hydrogen 3.151 N/A LEU 68.A N TYR 65.A O no hydrogen 3.230 N/A ALA 69.A N TYR 65.A O no hydrogen 2.949 N/A SER 70.A N THR 66.A O no hydrogen 2.890 N/A SER 70.A OG THR 66.A O no hydrogen 2.949 N/A SER 70.A OG GLY 67.A O no hydrogen 3.461 N/A GLY 71.A N LEU 68.A O no hydrogen 3.322 N/A LEU 72.A N SER 70.A OG no hydrogen 3.237 N/A THR 73.A N GLY 67.A O no hydrogen 2.788 N/A SER 75.A N THR 102.A O no hydrogen 2.970 N/A SER 75.A OG ILE 74.A O no hydrogen 2.913 N/A LEU 77.A N VAL 100.A O no hydrogen 2.975 N/A GLY 82.A N GLU 86.A OE2 no hydrogen 3.064 N/A HIS 83.A N PRO 80.A O no hydrogen 2.848 N/A HIS 83.A NE2 GLU 217.A O no hydrogen 3.155 N/A ALA 85.A N HIS 83.A ND1 no hydrogen 2.894 N/A GLU 86.A N HIS 83.A O no hydrogen 2.737 N/A SER 88.A OG ALA 85.A O no hydrogen 2.620 N/A SER 89.A OG GLU 96.A OE2 no hydrogen 2.756 N/A VAL 90.A N VAL 97.A O no hydrogen 2.735 N/A GLY 99.A N SER 88.A O no hydrogen 2.681 N/A VAL 100.A N LEU 77.A O no hydrogen 2.682 N/A THR 102.A N SER 75.A O no hydrogen 2.641 N/A TRP 104.A NE1 SER 75.A OG no hydrogen 3.005 N/A GLY 105.A N THR 73.A O no hydrogen 3.001 N/A ARG 106.A N MET 103.A O no hydrogen 3.343 N/A ARG 106.A NH1 TYR 65.A OH no hydrogen 3.068 N/A ARG 106.A NH2 SER 228.A OG no hydrogen 3.006 N/A ARG 106.A NH2 SER 232.A OG no hydrogen 3.019 N/A TYR 107.A OH GLU 217.A OE2 no hydrogen 2.564 N/A LEU 108.A N TRP 104.A O no hydrogen 3.132 N/A THR 109.A N GLY 105.A O no hydrogen 3.247 N/A THR 109.A OG1 SER 64.A OG no hydrogen 2.648 N/A THR 109.A OG1 GLY 105.A O no hydrogen 3.270 N/A THR 109.A OG1 ARG 106.A O no hydrogen 3.251 N/A TRP 110.A N ARG 106.A O no hydrogen 3.160 N/A LEU 112.A N THR 109.A O no hydrogen 2.747 N/A SER 113.A N THR 109.A O no hydrogen 2.984 N/A SER 113.A OG THR 109.A O no hydrogen 3.443 N/A THR 114.A N TRP 110.A O no hydrogen 2.884 N/A THR 114.A OG1 TRP 110.A O no hydrogen 2.494 N/A THR 114.A OG1 ASP 139.A OD1 no hydrogen 3.223 N/A THR 114.A OG1 ASP 139.A OD2 no hydrogen 2.494 N/A MET 116.A N SER 113.A O no hydrogen 3.008 N/A ILE 117.A N SER 113.A O no hydrogen 3.210 N/A LEU 118.A N THR 114.A O no hydrogen 3.108 N/A LEU 119.A N PRO 115.A O no hydrogen 2.931 N/A ALA 120.A N MET 116.A O no hydrogen 3.164 N/A LEU 121.A N ILE 117.A O no hydrogen 3.119 N/A GLY 122.A N LEU 118.A O no hydrogen 2.859 N/A LEU 123.A N LEU 119.A O no hydrogen 2.841 N/A LEU 124.A N ALA 120.A O no hydrogen 2.743 N/A ALA 125.A N LEU 121.A O no hydrogen 2.831 N/A GLY 126.A N LEU 123.A O no hydrogen 2.698 N/A SER 127.A N GLY 122.A O no hydrogen 2.953 N/A SER 127.A OG ASN 128.A O no hydrogen 2.808 N/A LYS 131.A N ASN 128.A OD1 no hydrogen 2.781 N/A LYS 131.A NZ GLU 180.A OE1 no hydrogen 2.699 N/A LYS 131.A NZ ASP 184.A OD1 no hydrogen 3.051 N/A LYS 131.A NZ ASP 184.A OD2 no hydrogen 3.352 N/A LEU 132.A N ASN 128.A O no hydrogen 3.421 N/A PHE 133.A N ALA 129.A O no hydrogen 2.900 N/A THR 134.A N THR 130.A O no hydrogen 3.029 N/A THR 134.A OG1 THR 130.A O no hydrogen 2.753 N/A ALA 135.A N LYS 131.A O no hydrogen 2.977 N/A ILE 136.A N LEU 132.A O no hydrogen 3.048 N/A THR 137.A N PHE 133.A O no hydrogen 3.084 N/A THR 137.A OG1 PHE 133.A O no hydrogen 2.731 N/A THR 137.A OG1 THR 134.A O no hydrogen 3.244 N/A PHE 138.A N THR 134.A O no hydrogen 3.214 N/A ASP 139.A N ALA 135.A O no hydrogen 2.988 N/A ILE 140.A N ILE 136.A O no hydrogen 2.945 N/A ALA 141.A N THR 137.A O no hydrogen 2.880 N/A MET 142.A N PHE 138.A O no hydrogen 2.918 N/A CYS 143.A N ASP 139.A O no hydrogen 3.044 N/A CYS 143.A SG THR 114.A OG1 no hydrogen 3.399 N/A CYS 143.A SG ASP 139.A O no hydrogen 3.522 N/A VAL 144.A N ILE 140.A O no hydrogen 2.852 N/A THR 145.A N ALA 141.A O no hydrogen 2.964 N/A THR 145.A OG1 ALA 141.A O no hydrogen 2.777 N/A THR 145.A OG1 MET 142.A O no hydrogen 3.234 N/A GLY 146.A N MET 142.A O no hydrogen 3.071 N/A LEU 147.A N CYS 143.A O no hydrogen 3.001 N/A ALA 148.A N VAL 144.A O no hydrogen 3.001 N/A ALA 149.A N THR 145.A O no hydrogen 3.029 N/A ALA 150.A N GLY 146.A O no hydrogen 3.232 N/A LEU 151.A N LEU 147.A O no hydrogen 3.063 N/A THR 152.A N ALA 149.A O no hydrogen 3.357 N/A THR 152.A OG1 ALA 148.A O no hydrogen 2.764 N/A MET 158.A N SER 155.A OG no hydrogen 3.137 N/A ARG 159.A N SER 155.A O no hydrogen 3.369 N/A ARG 159.A NH1 ALA 150.A O no hydrogen 3.035 N/A ARG 159.A NH1 THR 152.A O no hydrogen 2.545 N/A ARG 159.A NH2 GLU 217.A O no hydrogen 3.158 N/A TRP 160.A N HIS 156.A O no hydrogen 3.474 N/A TRP 160.A NE1 HIS 156.A NE2 no hydrogen 3.120 N/A PHE 161.A N LEU 157.A O no hydrogen 3.077 N/A PHE 161.A N MET 158.A O no hydrogen 3.167 N/A TRP 162.A N MET 158.A O no hydrogen 2.984 N/A TYR 163.A N ARG 159.A O no hydrogen 3.086 N/A TYR 163.A OH PRO 209.A O no hydrogen 2.685 N/A ALA 164.A N TRP 160.A O no hydrogen 2.920 N/A ILE 165.A N PHE 161.A O no hydrogen 3.016 N/A SER 166.A N TRP 162.A O no hydrogen 2.846 N/A SER 166.A OG MET 142.A O no hydrogen 2.743 N/A CYS 167.A N TYR 163.A O no hydrogen 2.959 N/A CYS 167.A SG TYR 163.A O no hydrogen 3.352 N/A ALA 168.A N ALA 164.A O no hydrogen 2.978 N/A CYS 169.A N ILE 165.A O no hydrogen 3.003 N/A CYS 169.A SG ILE 165.A O no hydrogen 3.808 N/A PHE 170.A N SER 166.A O no hydrogen 2.952 N/A ILE 171.A N CYS 167.A O no hydrogen 3.070 N/A VAL 172.A N CYS 169.A O no hydrogen 3.206 N/A LEU 174.A N PHE 170.A O no hydrogen 2.917 N/A TYR 175.A N ILE 171.A O no hydrogen 2.811 N/A TYR 175.A OH GLU 180.A OE2 no hydrogen 3.290 N/A ILE 176.A N VAL 172.A O no hydrogen 3.184 N/A LEU 177.A N VAL 173.A O no hydrogen 3.024 N/A LEU 178.A N LEU 174.A O no hydrogen 2.833 N/A VAL 179.A N TYR 175.A O no hydrogen 2.829 N/A GLU 180.A N TYR 175.A O no hydrogen 3.397 N/A TRP 181.A N ILE 176.A O no hydrogen 2.796 N/A GLN 183.A N GLU 180.A O no hydrogen 3.022 N/A ASP 184.A N GLU 180.A O no hydrogen 3.163 N/A ALA 185.A N TRP 181.A O no hydrogen 3.026 N/A LYS 186.A N GLN 183.A O no hydrogen 3.036 N/A ALA 187.A N ASP 184.A O no hydrogen 3.207 N/A ALA 188.A N ASP 184.A O no hydrogen 3.030 N/A THR 190.A N ALA 185.A O no hydrogen 2.896 N/A THR 190.A OG1 LEU 124.A O no hydrogen 2.645 N/A THR 190.A OG1 ALA 185.A O no hydrogen 3.562 N/A PHE 194.A N THR 190.A O no hydrogen 2.974 N/A SER 195.A N ALA 191.A O no hydrogen 3.083 N/A THR 196.A N ASP 192.A O no hydrogen 2.900 N/A THR 196.A OG1 ASP 192.A O no hydrogen 2.993 N/A LEU 197.A N ILE 193.A O no hydrogen 2.912 N/A LYS 198.A N PHE 194.A O no hydrogen 2.733 N/A LEU 199.A N SER 195.A O no hydrogen 3.110 N/A LEU 200.A N THR 196.A O no hydrogen 3.003 N/A THR 201.A N LEU 197.A O no hydrogen 2.926 N/A THR 201.A OG1 LEU 197.A O no hydrogen 2.830 N/A VAL 202.A N LYS 198.A O no hydrogen 2.917 N/A VAL 203.A N LEU 199.A O no hydrogen 3.028 N/A MET 204.A N LEU 200.A O no hydrogen 3.066 N/A TRP 205.A N THR 201.A O no hydrogen 2.976 N/A LEU 206.A N VAL 202.A O no hydrogen 3.254 N/A GLY 207.A N MET 204.A O no hydrogen 2.856 N/A TYR 208.A N TRP 205.A O no hydrogen 3.182 N/A TYR 208.A OH ASP 235.A OD1 no hydrogen 2.705 N/A VAL 211.A N GLY 207.A O no hydrogen 2.950 N/A TRP 212.A N TYR 208.A O no hydrogen 2.804 N/A ALA 213.A N PRO 209.A O no hydrogen 3.001 N/A LEU 214.A N ILE 210.A O no hydrogen 2.927 N/A GLY 215.A N VAL 211.A O no hydrogen 2.777 N/A GLY 218.A N GLY 215.A O no hydrogen 2.687 N/A VAL 219.A N ALA 213.A O no hydrogen 2.762 N/A ALA 220.A N GLY 215.A O no hydrogen 2.991 N/A VAL 221.A N LEU 214.A O no hydrogen 2.772 N/A LEU 222.A N LEU 214.A O no hydrogen 2.936 N/A TYR 226.A N PRO 223.A O no hydrogen 2.887 N/A THR 227.A N PRO 223.A O no hydrogen 2.967 N/A THR 227.A OG1 VAL 224.A O no hydrogen 2.748 N/A SER 228.A N VAL 224.A O no hydrogen 2.921 N/A SER 228.A OG SER 20.A OG no hydrogen 2.762 N/A TRP 229.A N GLY 225.A O no hydrogen 3.187 N/A TRP 229.A NE1 SER 19.A OG no hydrogen 3.062 N/A ALA 230.A N TYR 226.A O no hydrogen 3.058 N/A TYR 231.A N THR 227.A O no hydrogen 3.091 N/A SER 232.A N SER 228.A O no hydrogen 2.922 N/A SER 232.A OG SER 20.A O no hydrogen 2.679 N/A SER 232.A OG TYR 65.A OH no hydrogen 3.381 N/A SER 232.A OG SER 228.A O no hydrogen 3.035 N/A ALA 233.A N TRP 229.A O no hydrogen 2.816 N/A LEU 234.A N ALA 230.A O no hydrogen 2.991 N/A ASP 235.A N TYR 231.A O no hydrogen 2.856 N/A ILE 236.A N SER 232.A O no hydrogen 3.170 N/A VAL 237.A N ALA 233.A O no hydrogen 3.433 N/A VAL 237.A N LEU 234.A O no hydrogen 3.141 N/A ALA 238.A N LEU 234.A O no hydrogen 2.827 N/A LYS 239.A N ASP 235.A O no hydrogen 2.836 N/A LYS 239.A NZ ASP 235.A OD1 no hydrogen 3.470 N/A TYR 240.A OH SER 61.A OG no hydrogen 2.790 N/A ILE 241.A N ILE 236.A O no hydrogen 2.977 N/A PHE 242.A N VAL 237.A O no hydrogen 3.037 N/A ALA 243.A N LYS 239.A O no hydrogen 2.889 N/A PHE 244.A N TYR 240.A O no hydrogen 2.952 N/A LEU 245.A N ILE 241.A O no hydrogen 2.881 N/A LEU 246.A N PHE 242.A O no hydrogen 3.041 N/A LEU 247.A N ALA 243.A O no hydrogen 2.890 N/A ASN 248.A N PHE 244.A O no hydrogen 2.938 N/A TYR 249.A N LEU 245.A O no hydrogen 3.197 N/A LEU 250.A N LEU 246.A O no hydrogen 2.967 N/A THR 251.A N LEU 247.A O no hydrogen 2.958 N/A SER 252.A N TYR 249.A O no hydrogen 2.978 N/A SER 252.A OG ASN 248.A O no hydrogen 3.557 N/A ASN 253.A N LEU 250.A O no hydrogen 3.054 N/A ASN 253.A ND2 TYR 249.A O no hydrogen 2.923 N/A VAL 256.A N ASN 253.A O no hydrogen 2.771 N/A SER 258.A N GLY 255.A O no hydrogen 3.245 N/A SER 258.A OG GLY 255.A O no hydrogen 2.774 N/A SER 260.A OG GLY 259.A O no hydrogen 2.688 N/A