Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N CYS 99.A O no hydrogen 3.070 N/A ARG 6.A N TRP 26.A O no hydrogen 2.841 N/A CYS 7.A N ALA 97.A O no hydrogen 2.611 N/A LEU 8.A N VAL 24.A O no hydrogen 2.805 N/A GLN 9.A N LEU 95.A O no hydrogen 2.859 N/A GLN 9.A NE2 TYR 68.A OH no hydrogen 2.785 N/A MET 10.A N ASP 22.A O no hydrogen 2.786 N/A SER 11.A N ILE 93.A O no hydrogen 2.894 N/A SER 11.A OG THR 21.A OG1 no hydrogen 2.608 N/A SER 12.A N ARG 20.A O no hydrogen 3.051 N/A SER 12.A OG GLU 92.A OE1 no hydrogen 3.514 N/A SER 12.A OG GLU 92.A OE2 no hydrogen 2.724 N/A PHE 13.A N ILE 91.A O no hydrogen 2.849 N/A ALA 14.A N TRP 18.A O no hydrogen 3.062 N/A ARG 16.A NH2 GLU 87.A OE1 no hydrogen 3.225 N/A ARG 16.A NH2 GLU 87.A OE2 no hydrogen 2.650 N/A ARG 20.A N SER 12.A O no hydrogen 3.189 N/A ARG 20.A NE ASP 22.A OD2 no hydrogen 2.871 N/A ARG 20.A NH2 ASP 22.A OD1 no hydrogen 3.138 N/A THR 21.A N ASN 37.A OD1 no hydrogen 2.791 N/A THR 21.A OG1 SER 11.A OG no hydrogen 2.608 N/A ASP 22.A N MET 10.A O no hydrogen 2.936 N/A SER 23.A N TRP 35.A O no hydrogen 2.958 N/A VAL 24.A N LEU 8.A O no hydrogen 2.947 N/A VAL 25.A N HIS 33.A O no hydrogen 2.966 N/A TRP 26.A N ARG 6.A O no hydrogen 2.807 N/A LEU 27.A N LEU 30.A O no hydrogen 2.875 N/A GLY 28.A N THR 4.A O no hydrogen 2.928 N/A LEU 30.A N LEU 27.A O no hydrogen 3.176 N/A GLN 31.A NE2 HIS 33.A O no hydrogen 3.578 N/A THR 32.A N VAL 25.A O no hydrogen 2.806 N/A THR 32.A OG1 VAL 25.A O no hydrogen 3.395 N/A THR 32.A OG1 HIS 33.A ND1 no hydrogen 2.706 N/A HIS 33.A N VAL 25.A O no hydrogen 3.448 N/A HIS 33.A ND1 THR 32.A OG1 no hydrogen 2.706 N/A HIS 33.A NE2 SER 49.A O no hydrogen 2.878 N/A ARG 34.A N SER 43.A O no hydrogen 3.043 N/A TRP 35.A N SER 23.A O no hydrogen 2.955 N/A SER 36.A OG ASP 38.A OD2 no hydrogen 3.372 N/A ASN 37.A N ASP 22.A OD1 no hydrogen 2.895 N/A SER 39.A N SER 36.A O no hydrogen 3.125 N/A SER 39.A OG THR 41.A O no hydrogen 2.674 N/A THR 41.A N SER 39.A OG no hydrogen 3.310 N/A ILE 42.A N GLN 62.A OE1 no hydrogen 2.757 N/A SER 43.A N ARG 34.A O no hydrogen 2.685 N/A THR 45.A N THR 32.A O no hydrogen 2.898 N/A LYS 46.A N SER 49.A OG no hydrogen 3.049 N/A LYS 46.A NZ GLN 31.A O no hydrogen 3.130 N/A LYS 46.A NZ GLU 232.A OE1 no hydrogen 2.918 N/A LYS 46.A NZ GLU 232.A OE2 no hydrogen 3.104 N/A TRP 48.A NE1 ASP 177.A OD2 no hydrogen 3.065 N/A SER 49.A N LYS 46.A O no hydrogen 3.273 N/A SER 49.A OG THR 32.A O no hydrogen 2.697 N/A SER 49.A OG LYS 46.A O no hydrogen 3.022 N/A GLN 50.A NE2 LEU 53.A O no hydrogen 3.030 N/A GLN 50.A NE2 ASN 55.A OD1 no hydrogen 2.991 N/A GLY 51.A N TRP 48.A O no hydrogen 3.101 N/A LEU 53.A N GLN 50.A O no hydrogen 3.268 N/A SER 54.A N GLN 57.A OE1 no hydrogen 3.195 N/A GLN 57.A N SER 54.A OG no hydrogen 3.264 N/A TRP 58.A N SER 54.A O no hydrogen 2.822 N/A GLU 59.A N ASN 55.A O no hydrogen 2.908 N/A LYS 60.A N GLN 56.A O no hydrogen 3.047 N/A LEU 61.A N GLN 57.A O no hydrogen 3.282 N/A GLN 62.A N TRP 58.A O no hydrogen 2.919 N/A HIS 63.A N GLU 59.A O no hydrogen 2.993 N/A MET 64.A N LYS 60.A O no hydrogen 3.015 N/A PHE 65.A N LEU 61.A O no hydrogen 2.860 N/A GLN 66.A N GLN 62.A O no hydrogen 2.813 N/A GLN 66.A NE2 ALA 40.A O no hydrogen 2.791 N/A VAL 67.A N HIS 63.A O no hydrogen 3.119 N/A TYR 68.A N MET 64.A O no hydrogen 3.203 N/A ARG 69.A N PHE 65.A O no hydrogen 2.849 N/A ARG 69.A NH1 SER 36.A O no hydrogen 3.062 N/A ARG 69.A NH2 SER 39.A O no hydrogen 2.765 N/A VAL 70.A N GLN 66.A O no hydrogen 3.444 N/A SER 71.A N VAL 67.A O no hydrogen 3.038 N/A SER 71.A OG VAL 67.A O no hydrogen 2.990 N/A PHE 72.A N TYR 68.A O no hydrogen 2.748 N/A THR 73.A N ARG 69.A O no hydrogen 3.202 N/A THR 73.A OG1 ARG 69.A O no hydrogen 3.164 N/A ARG 74.A N VAL 70.A O no hydrogen 3.266 N/A ASP 75.A N SER 71.A O no hydrogen 2.948 N/A ILE 76.A N PHE 72.A O no hydrogen 2.968 N/A GLN 77.A N THR 73.A O no hydrogen 2.931 N/A GLN 77.A NE2 ASN 15.A O no hydrogen 3.618 N/A GLU 78.A N ARG 74.A O no hydrogen 2.998 N/A LEU 79.A N ASP 75.A O no hydrogen 2.863 N/A VAL 80.A N ILE 76.A O no hydrogen 2.929 N/A LYS 81.A N GLU 78.A O no hydrogen 3.084 N/A MET 82.A N LEU 79.A O no hydrogen 3.153 N/A MET 83.A N VAL 80.A O no hydrogen 3.029 N/A TYR 89.A N GLU 87.A O no hydrogen 3.005 N/A TYR 89.A OH GLN 77.A OE1 no hydrogen 2.663 N/A ILE 91.A N PHE 13.A O no hydrogen 2.846 N/A GLU 92.A N GLN 116.A OE1 no hydrogen 3.064 N/A ILE 93.A N SER 11.A O no hydrogen 2.994 N/A GLN 94.A N ALA 114.A O no hydrogen 2.875 N/A LEU 95.A N GLN 9.A O no hydrogen 2.966 N/A SER 96.A N HIS 112.A O no hydrogen 2.808 N/A ALA 97.A N CYS 7.A O no hydrogen 2.986 N/A GLY 98.A N PHE 110.A O no hydrogen 3.022 N/A CYS 99.A N PHE 5.A O no hydrogen 3.253 N/A GLU 100.A N GLU 108.A O no hydrogen 2.887 N/A MET 101.A N TYR 3.A O no hydrogen 2.869 N/A TYR 102.A N ALA 106.A O no hydrogen 3.041 N/A GLU 108.A N GLU 100.A O no hydrogen 3.120 N/A SER 109.A OG LEU 159.A O no hydrogen 2.616 N/A PHE 110.A N GLY 98.A O no hydrogen 2.866 N/A HIS 112.A N SER 96.A O no hydrogen 2.791 N/A VAL 113.A N VAL 121.A O no hydrogen 2.657 N/A ALA 114.A N GLN 94.A O no hydrogen 2.714 N/A PHE 115.A N LYS 118.A O no hydrogen 2.822 N/A GLN 116.A N GLU 92.A O no hydrogen 2.800 N/A GLN 116.A NE2 ASP 88.A O no hydrogen 3.690 N/A GLN 116.A NE2 PRO 90.A O no hydrogen 3.218 N/A LYS 118.A N PHE 115.A O no hydrogen 3.077 N/A TYR 119.A OH HIS 112.A ND1 no hydrogen 3.058 N/A VAL 120.A N VAL 113.A O no hydrogen 2.955 N/A VAL 121.A N VAL 113.A O no hydrogen 3.231 N/A ARG 122.A N GLN 129.A O no hydrogen 3.033 N/A ARG 122.A NE GLN 129.A OE1 no hydrogen 3.028 N/A ARG 122.A NH2 GLN 129.A OE1 no hydrogen 2.854 N/A PHE 123.A N LEU 111.A O no hydrogen 3.086 N/A TRP 124.A N SER 127.A O no hydrogen 2.872 N/A SER 127.A N TRP 124.A O no hydrogen 3.435 N/A SER 127.A OG TRP 128.A O no hydrogen 3.554 N/A TRP 128.A N ASN 146.A OD1 no hydrogen 2.895 N/A GLN 129.A N ARG 122.A O no hydrogen 2.874 N/A VAL 131.A N VAL 120.A O no hydrogen 2.900 N/A ALA 134.A N VAL 131.A O no hydrogen 3.047 N/A LEU 138.A N PRO 135.A O no hydrogen 3.435 N/A ASP 139.A N SER 136.A O no hydrogen 3.338 N/A ILE 142.A N LEU 138.A O no hydrogen 3.133 N/A LYS 143.A N ASP 139.A O no hydrogen 3.029 N/A VAL 144.A N LEU 140.A O no hydrogen 2.795 N/A LEU 145.A N PRO 141.A O no hydrogen 2.814 N/A ASN 146.A N ILE 142.A O no hydrogen 2.868 N/A ASN 146.A ND2 TRP 128.A O no hydrogen 2.866 N/A ALA 147.A N VAL 144.A O no hydrogen 3.085 N/A ASP 148.A N LEU 145.A O no hydrogen 3.112 N/A THR 151.A N ASP 148.A OD1 no hydrogen 3.297 N/A THR 151.A OG1 ASP 148.A OD2 no hydrogen 2.802 N/A SER 152.A N ASP 148.A O no hydrogen 3.247 N/A SER 152.A OG THR 126.A O no hydrogen 2.797 N/A ALA 153.A N GLN 149.A O no hydrogen 2.776 N/A THR 154.A N GLY 150.A O no hydrogen 2.977 N/A THR 154.A OG1 GLY 150.A O no hydrogen 2.940 N/A VAL 155.A N THR 151.A O no hydrogen 2.813 N/A GLN 156.A N SER 152.A O no hydrogen 2.864 N/A GLN 156.A NE2 SER 152.A O no hydrogen 3.347 N/A MET 157.A N ALA 153.A O no hydrogen 3.130 N/A LEU 158.A N THR 154.A O no hydrogen 2.780 N/A LEU 159.A N VAL 155.A O no hydrogen 2.882 N/A ASN 160.A N GLN 156.A O no hydrogen 2.790 N/A ASP 161.A N MET 157.A O no hydrogen 2.932 N/A THR 162.A N MET 157.A O no hydrogen 2.978 N/A THR 162.A OG1 MET 157.A O no hydrogen 3.207 N/A CYS 163.A N LEU 158.A O no hydrogen 2.813 N/A LEU 165.A N ASP 161.A O no hydrogen 3.289 N/A PHE 166.A N THR 162.A O no hydrogen 2.858 N/A VAL 167.A N CYS 163.A O no hydrogen 2.961 N/A ARG 168.A N PRO 164.A O no hydrogen 3.051 N/A ARG 168.A NH1 TYR 102.A O no hydrogen 3.488 N/A LEU 170.A N PHE 166.A O no hydrogen 3.084 N/A LEU 171.A N VAL 167.A O no hydrogen 2.743 N/A GLU 172.A N ARG 168.A O no hydrogen 3.018 N/A ALA 173.A N GLY 169.A O no hydrogen 2.799 N/A GLY 174.A N LEU 170.A O no hydrogen 2.756 N/A LYS 175.A N GLU 172.A O no hydrogen 3.460 N/A ASP 177.A N GLY 174.A O no hydrogen 3.071 N/A LEU 178.A N GLY 174.A O no hydrogen 2.845 N/A GLU 179.A N LYS 175.A O no hydrogen 3.020 N/A LYS 180.A N ASP 177.A O no hydrogen 3.085 N/A LYS 180.A NZ GLU 232.A O no hydrogen 2.916 N/A GLU 182.A N TYR 203.A O no hydrogen 2.942 N/A VAL 185.A N SER 200.A O no hydrogen 2.852 N/A TRP 187.A N HIS 198.A O no hydrogen 2.913 N/A SER 189.A N VAL 196.A O no hydrogen 2.873 N/A SER 189.A OG HIS 198.A NE2 no hydrogen 2.781 N/A ARG 193.A NH1 GLU 247.A OE2 no hydrogen 2.763 N/A ARG 193.A NH2 VAL 242.A O no hydrogen 2.904 N/A ARG 193.A NH2 GLU 247.A OE2 no hydrogen 2.916 N/A LEU 195.A N LEU 240.A O no hydrogen 2.892 N/A VAL 196.A N SER 189.A O no hydrogen 2.744 N/A CYS 197.A N ALA 238.A O no hydrogen 2.769 N/A HIS 198.A N TRP 187.A O no hydrogen 2.718 N/A HIS 198.A ND1 TYR 235.A OH no hydrogen 2.650 N/A HIS 198.A NE2 SER 189.A OG no hydrogen 2.781 N/A VAL 199.A N LEU 236.A O no hydrogen 2.833 N/A SER 200.A N VAL 185.A O no hydrogen 2.939 N/A GLY 201.A N TRP 234.A O no hydrogen 2.848 N/A TYR 203.A N GLU 182.A O no hydrogen 2.942 N/A TYR 203.A OH ASP 29.A OD1 no hydrogen 2.479 N/A TRP 208.A N LYS 255.A O no hydrogen 2.939 N/A MET 210.A N ARG 253.A O no hydrogen 3.099 N/A TRP 211.A N THR 221.A OG1 no hydrogen 3.138 N/A TRP 211.A NE1 ALA 238.A O no hydrogen 3.009 N/A MET 212.A N ALA 251.A O no hydrogen 2.767 N/A ARG 213.A N GLN 216.A O no hydrogen 2.984 N/A GLN 216.A N ARG 213.A O no hydrogen 3.244 N/A GLN 218.A N TRP 211.A O no hydrogen 2.777 N/A THR 221.A N GLN 218.A O no hydrogen 3.040 N/A THR 221.A OG1 GLN 218.A O no hydrogen 2.678 N/A HIS 222.A N.A THR 239.A O no hydrogen 2.788 N/A HIS 222.A N.B THR 239.A O no hydrogen 2.776 N/A GLY 224.A N GLN 237.A O no hydrogen 2.891 N/A LEU 227.A N TYR 235.A O no hydrogen 2.736 N/A ASN 229.A N THR 233.A O no hydrogen 2.933 N/A ASN 229.A ND2 SER 200.A OG no hydrogen 3.199 N/A ASN 229.A ND2 THR 233.A OG1 no hydrogen 3.195 N/A THR 233.A OG1 ASP 231.A OD1 no hydrogen 2.474 N/A TRP 234.A N PHE 202.A O no hydrogen 2.785 N/A TRP 234.A NE1 ASP 29.A OD2 no hydrogen 3.115 N/A TYR 235.A N LEU 227.A O no hydrogen 2.770 N/A TYR 235.A OH HIS 198.A ND1 no hydrogen 2.650 N/A TYR 235.A OH GLN 237.A OE1 no hydrogen 2.975 N/A LEU 236.A N VAL 199.A O no hydrogen 2.901 N/A ALA 238.A N CYS 197.A O no hydrogen 3.041 N/A THR 239.A N HIS 222.A O.A no hydrogen 2.762 N/A THR 239.A N HIS 222.A O.B no hydrogen 2.789 N/A THR 239.A OG1 HIS 222.A O.B no hydrogen 3.567 N/A LEU 240.A N LEU 195.A O no hydrogen 3.014 N/A VAL 242.A N ARG 193.A O no hydrogen 2.872 N/A GLU 243.A N GLU 246.A OE1 no hydrogen 2.776 N/A GLY 245.A N GLU 247.A OE1 no hydrogen 2.758 N/A GLU 246.A N GLU 243.A O no hydrogen 2.902 N/A GLU 247.A N GLU 247.A OE1 no hydrogen 2.865 N/A LEU 250.A N GLU 247.A O no hydrogen 3.043 N/A ALA 251.A N MET 212.A O no hydrogen 2.793 N/A CYS 252.A N LEU 266.A O no hydrogen 2.770 N/A ARG 253.A N MET 210.A O no hydrogen 2.934 N/A ARG 253.A NE ASP 263.A OD2 no hydrogen 3.151 N/A ARG 253.A NH2 ASP 263.A OD2 no hydrogen 3.397 N/A VAL 254.A N ILE 264.A O no hydrogen 2.806 N/A LYS 255.A N TRP 208.A O no hydrogen 2.855 N/A LYS 255.A NZ ASP 263.A OD2 no hydrogen 2.636 N/A HIS 256.A ND1 SER 258.A OG no hydrogen 2.811 N/A HIS 256.A NE2 PRO 204.A O no hydrogen 2.805 N/A SER 257.A OG GLN 181.A OE1 no hydrogen 2.775 N/A SER 258.A N HIS 256.A ND1 no hydrogen 3.135 N/A SER 258.A OG GLU 182.A O no hydrogen 3.410 N/A SER 258.A OG HIS 256.A ND1 no hydrogen 2.811 N/A LEU 259.A N HIS 256.A O no hydrogen 3.021 N/A GLN 262.A N LEU 259.A O no hydrogen 3.372 N/A ILE 264.A N VAL 254.A O no hydrogen 3.128 N/A LEU 266.A N CYS 252.A O no hydrogen 2.741 N/A TYR 267.A N HIS 274.A O no hydrogen 2.701 N/A TRP 268.A N LEU 250.A O no hydrogen 3.210 N/A HIS 269.A N HIS 273.A ND1 no hydrogen 3.010 N/A HIS 270.A ND1 HIS 270.A O no hydrogen 3.116 N/A HIS 271.A N HIS 269.A O no hydrogen 2.727 N/A HIS 274.A N TYR 267.A O no hydrogen 2.825 N/A