Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nqd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ARG 178.A O no hydrogen 2.886 N/A ARG 1.A NH2 ARG 178.A O no hydrogen 3.084 N/A THR 2.A OG1.B LEU 100.A O no hydrogen 3.267 N/A HIS 3.A N LEU 100.A O no hydrogen 3.154 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.767 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.951 N/A LEU 5.A N CYS 98.A O no hydrogen 2.849 N/A ARG 6.A N TYR 27.A O no hydrogen 2.964 N/A ARG 6.A NH2 ASP 29.A O no hydrogen 2.818 N/A TYR 7.A N ILE 96.A O no hydrogen 2.811 N/A PHE 8.A N VAL 25.A O no hydrogen 2.820 N/A ARG 9.A N ARG 94.A O no hydrogen 2.893 N/A LEU 10.A N ILE 23.A O no hydrogen 2.751 N/A GLY 11.A N TYR 92.A O no hydrogen 2.753 N/A VAL 12.A N GLU 21.A O no hydrogen 2.737 N/A SER 13.A N HIS 90.A O no hydrogen 2.947 N/A SER 13.A OG GLN 81.A OE1 no hydrogen 2.661 N/A SER 13.A OG GLY 88.A O no hydrogen 3.318 N/A SER 13.A OG HIS 90.A O no hydrogen 3.459 N/A VAL 19.A N ILE 16.A O no hydrogen 3.291 N/A PHE 22.A N SER 38.A OG no hydrogen 3.187 N/A ILE 23.A N LEU 10.A O no hydrogen 2.923 N/A SER 24.A N TYR 36.A O no hydrogen 2.739 N/A SER 24.A OG PHE 8.A O no hydrogen 2.927 N/A VAL 25.A N PHE 8.A O no hydrogen 3.089 N/A GLY 26.A N THR 34.A O no hydrogen 3.061 N/A TYR 27.A N ARG 6.A O no hydrogen 2.784 N/A VAL 28.A N HIS 31.A O no hydrogen 2.988 N/A ASP 29.A N SER 4.A O no hydrogen 2.909 N/A SER 30.A OG TYR 236.A OH no hydrogen 2.956 N/A HIS 31.A N VAL 28.A O no hydrogen 2.985 N/A HIS 31.A NE2 TYR 206.A OH no hydrogen 2.532 N/A ILE 33.A N GLY 26.A O no hydrogen 2.740 N/A THR 35.A N GLU 44.A O no hydrogen 2.879 N/A TYR 36.A OH GLN 70.A OE1 no hydrogen 2.744 N/A SER 38.A N PHE 22.A O no hydrogen 2.881 N/A SER 38.A OG PHE 22.A O no hydrogen 3.353 N/A VAL 39.A N ASP 37.A OD2 no hydrogen 2.861 N/A THR 40.A N ASP 37.A OD2 no hydrogen 2.856 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.532 N/A THR 40.A OG1 GLN 42.A O no hydrogen 3.441 N/A ARG 41.A N ASP 37.A O no hydrogen 2.897 N/A GLN 42.A N THR 40.A OG1 no hydrogen 3.163 N/A LYS 43.A N THR 63.A OG1 no hydrogen 2.983 N/A GLU 44.A N THR 35.A O no hydrogen 2.883 N/A ARG 46.A N ILE 33.A O no hydrogen 2.769 N/A ARG 46.A NH1 PRO 45.A O no hydrogen 2.704 N/A MET 50.A N ALA 47.A O no hydrogen 2.987 N/A ALA 51.A N ALA 47.A O no hydrogen 3.236 N/A GLU 52.A N PRO 48.A O no hydrogen 3.037 N/A ASN 53.A ND2 TRP 49.A O no hydrogen 2.757 N/A LEU 54.A N MET 50.A O no hydrogen 3.187 N/A HIS 58.A N ALA 55.A O no hydrogen 2.916 N/A GLU 60.A N PRO 56.A O no hydrogen 3.164 N/A ARG 61.A N ASP 57.A O no hydrogen 3.014 N/A TYR 62.A N HIS 58.A O no hydrogen 2.955 N/A THR 63.A N TRP 59.A O no hydrogen 2.858 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.753 N/A LEU 65.A N ARG 61.A O no hydrogen 3.178 N/A LEU 66.A N TYR 62.A O no hydrogen 2.885 N/A ARG 67.A N THR 63.A O no hydrogen 3.041 N/A ARG 67.A NE ARG 41.A O no hydrogen 3.046 N/A ARG 67.A NH2 ARG 41.A O no hydrogen 3.010 N/A GLY 68.A N GLN 64.A O no hydrogen 3.128 N/A TRP 69.A N LEU 65.A O no hydrogen 2.803 N/A GLN 70.A N LEU 66.A O no hydrogen 2.781 N/A GLN 71.A N ARG 67.A O no hydrogen 3.255 N/A MET 72.A N GLY 68.A O no hydrogen 3.054 N/A PHE 73.A N TRP 69.A O no hydrogen 2.989 N/A LYS 74.A N GLN 70.A O no hydrogen 3.106 N/A LYS 74.A NZ GLU 21.A OE2 no hydrogen 2.947 N/A VAL 75.A N GLN 71.A O no hydrogen 3.266 N/A GLU 76.A N MET 72.A O no hydrogen 2.966 N/A LEU 77.A N PHE 73.A O no hydrogen 2.926 N/A LYS 78.A N LYS 74.A O no hydrogen 3.143 N/A ARG 79.A N VAL 75.A O no hydrogen 3.076 N/A LEU 80.A N GLU 76.A O no hydrogen 2.980 N/A GLN 81.A N LEU 77.A O no hydrogen 2.940 N/A GLN 81.A NE2 HIS 86.A O no hydrogen 3.194 N/A GLN 81.A NE2 GLY 88.A O no hydrogen 3.427 N/A ARG 82.A N LYS 78.A O no hydrogen 3.065 N/A HIS 83.A N ARG 79.A O no hydrogen 2.945 N/A TYR 84.A N LEU 80.A O no hydrogen 3.076 N/A TYR 84.A OH ASP 133.A OD1 no hydrogen 2.401 N/A HIS 86.A N GLN 81.A O no hydrogen 2.793 N/A HIS 86.A ND1 TYR 114.A OH no hydrogen 2.728 N/A SER 89.A OG SER 13.A O no hydrogen 2.604 N/A HIS 90.A N SER 13.A OG no hydrogen 2.964 N/A HIS 90.A ND1 ASP 115.A OD2 no hydrogen 2.613 N/A HIS 90.A NE2 SER 87.A O no hydrogen 2.930 N/A THR 91.A N ASP 115.A OD1 no hydrogen 2.916 N/A TYR 92.A N GLY 11.A O no hydrogen 2.895 N/A TYR 92.A OH GLU 76.A OE1 no hydrogen 2.990 N/A GLN 93.A N ALA 113.A O no hydrogen 2.884 N/A ARG 94.A N ARG 9.A O no hydrogen 3.018 N/A ARG 94.A NE TYR 112.A OH no hydrogen 2.846 N/A MET 95.A N GLN 111.A O no hydrogen 2.972 N/A ILE 96.A N TYR 7.A O no hydrogen 2.925 N/A GLY 97.A N PHE 109.A O no hydrogen 2.951 N/A CYS 98.A N LEU 5.A O no hydrogen 2.858 N/A GLU 99.A N THR 107.A O no hydrogen 3.142 N/A LEU 100.A N HIS 3.A O no hydrogen 2.904 N/A LEU 101.A N SER 105.A O no hydrogen 2.738 N/A GLY 104.A N LEU 101.A O no hydrogen 3.075 N/A SER 105.A N ASP 103.A OD1 no hydrogen 3.120 N/A SER 105.A OG ASP 103.A OD1 no hydrogen 2.620 N/A THR 107.A N GLU 99.A O no hydrogen 3.057 N/A THR 107.A OG1 GLU 99.A OE1 no hydrogen 2.961 N/A PHE 109.A N GLY 97.A O no hydrogen 2.999 N/A GLN 111.A N MET 95.A O no hydrogen 3.005 N/A TYR 112.A N LEU 120.A O no hydrogen 2.750 N/A ALA 113.A N GLN 93.A O no hydrogen 2.907 N/A TYR 114.A N GLN 117.A O no hydrogen 2.956 N/A TYR 114.A OH HIS 86.A ND1 no hydrogen 2.728 N/A ASP 115.A N THR 91.A O no hydrogen 2.848 N/A GLN 117.A N TYR 114.A O no hydrogen 3.229 N/A PHE 119.A N TYR 112.A O no hydrogen 2.910 N/A LEU 120.A N TYR 112.A O no hydrogen 3.190 N/A ILE 121.A N LEU 130.A O no hydrogen 3.016 N/A PHE 122.A N LEU 110.A O no hydrogen 2.917 N/A ASN 123.A N SER 128.A O no hydrogen 2.681 N/A LYS 124.A NZ GLU 158.A OE2 no hydrogen 2.832 N/A THR 126.A OG1 SER 128.A OG no hydrogen 2.634 N/A SER 128.A N ASN 123.A O no hydrogen 2.944 N/A SER 128.A OG THR 126.A OG1 no hydrogen 2.634 N/A TRP 129.A N GLU 144.A OE2 no hydrogen 2.776 N/A LEU 130.A N ILE 121.A O no hydrogen 2.749 N/A VAL 132.A N PHE 119.A O no hydrogen 3.094 N/A ALA 136.A N ASP 133.A OD2 no hydrogen 2.843 N/A HIS 137.A N ASP 133.A O no hydrogen 2.907 N/A THR 138.A N ASN 134.A O no hydrogen 3.071 N/A THR 138.A OG1 ASN 134.A O no hydrogen 3.362 N/A ILE 139.A N VAL 135.A O no hydrogen 3.127 N/A LYS 140.A N ALA 136.A O no hydrogen 2.777 N/A LYS 140.A NZ TRP 129.A O no hydrogen 2.769 N/A LYS 140.A NZ GLU 144.A OE2 no hydrogen 2.993 N/A GLN 141.A N HIS 137.A O no hydrogen 3.143 N/A GLN 141.A NE2 HIS 137.A O no hydrogen 3.605 N/A TRP 143.A N ILE 139.A O no hydrogen 3.046 N/A GLU 144.A N LYS 140.A O no hydrogen 2.715 N/A ALA 145.A N ALA 142.A O no hydrogen 3.082 N/A ASN 146.A N TRP 143.A O no hydrogen 3.452 N/A LEU 150.A N ASN 146.A O no hydrogen 3.376 N/A LEU 151.A N GLN 147.A O no hydrogen 3.059 N/A TYR 152.A N HIS 148.A O no hydrogen 2.868 N/A GLN 153.A N GLU 149.A O no hydrogen 2.968 N/A LYS 154.A N LEU 150.A O no hydrogen 3.019 N/A LYS 154.A NZ LYS 124.A O no hydrogen 2.741 N/A LYS 154.A NZ GLU 158.A OE2 no hydrogen 2.763 N/A ASN 155.A N LEU 151.A O no hydrogen 2.977 N/A TRP 156.A N TYR 152.A O no hydrogen 2.776 N/A LEU 157.A N GLN 153.A O no hydrogen 2.890 N/A GLU 158.A N LYS 154.A O no hydrogen 2.905 N/A GLU 159.A N ASN 155.A O no hydrogen 2.793 N/A GLU 160.A N ASN 155.A O no hydrogen 3.430 N/A CYS 161.A N TRP 156.A O no hydrogen 2.750 N/A ALA 163.A N GLU 159.A O no hydrogen 2.961 N/A TRP 164.A N GLU 160.A O no hydrogen 2.974 N/A LEU 165.A N CYS 161.A O no hydrogen 3.016 N/A LYS 166.A N ILE 162.A O no hydrogen 3.000 N/A ARG 167.A N ALA 163.A O no hydrogen 3.184 N/A ARG 167.A NE TYR 171.A OH no hydrogen 3.104 N/A ARG 167.A NH2 TYR 171.A OH no hydrogen 3.254 N/A PHE 168.A N TRP 164.A O no hydrogen 2.888 N/A LEU 169.A N LEU 165.A O no hydrogen 2.796 N/A GLU 170.A N LYS 166.A O no hydrogen 3.163 N/A TYR 171.A N ARG 167.A O no hydrogen 2.996 N/A GLY 172.A N PHE 168.A O no hydrogen 2.861 N/A LYS 173.A NZ ASP 174.A OD1 no hydrogen 3.422 N/A THR 175.A N GLY 172.A O no hydrogen 2.822 N/A LEU 176.A N GLY 172.A O no hydrogen 2.923 N/A GLN 177.A N LYS 173.A O no hydrogen 2.867 N/A GLN 177.A NE2 LEU 169.A O no hydrogen 3.153 N/A ARG 178.A NE GLU 180.A OE2 no hydrogen 2.946 N/A ARG 178.A NH1 THR 175.A O no hydrogen 2.935 N/A ARG 178.A NH2 GLU 180.A OE2 no hydrogen 2.888 N/A ARG 178.A NH2 GLY 234.A O no hydrogen 3.393 N/A GLU 180.A N TYR 206.A O no hydrogen 2.808 N/A LEU 183.A N HIS 203.A O no hydrogen 2.823 N/A ARG 185.A N LYS 201.A O no hydrogen 3.103 N/A ASN 187.A N PHE 199.A O no hydrogen 2.843 N/A LYS 189.A N ALA 197.A O no hydrogen 3.111 N/A THR 191.A N VAL 195.A O no hydrogen 2.789 N/A VAL 195.A N PHE 192.A O no hydrogen 2.856 N/A ALA 197.A N LYS 189.A O no hydrogen 2.769 N/A LEU 198.A N ILE 242.A O no hydrogen 2.834 N/A PHE 199.A N ASN 187.A O no hydrogen 2.864 N/A CYS 200.A N ALA 240.A O no hydrogen 2.875 N/A LYS 201.A N ARG 185.A O no hydrogen 2.954 N/A ALA 202.A N ALA 238.A O no hydrogen 2.696 N/A HIS 203.A N LEU 183.A O no hydrogen 2.965 N/A PHE 205.A N TYR 236.A O no hydrogen 3.327 N/A TYR 206.A N GLU 180.A O no hydrogen 2.847 N/A TYR 206.A OH HIS 31.A NE2 no hydrogen 2.532 N/A TYR 211.A N GLU 250.A O no hydrogen 2.901 N/A THR 213.A N HIS 248.A O no hydrogen 2.884 N/A TRP 214.A NE1 ALA 240.A O no hydrogen 3.019 N/A MET 215.A N SER 246.A O no hydrogen 2.771 N/A LYS 216.A N GLU 219.A O no hydrogen 2.713 N/A ASN 217.A N LEU 244.A O no hydrogen 2.743 N/A GLU 219.A N LYS 216.A O no hydrogen 3.025 N/A ASP 224.A N SER 241.A O no hydrogen 2.888 N/A GLY 226.A N TRP 239.A O no hydrogen 2.917 N/A LEU 229.A N GLN 237.A O no hydrogen 2.828 N/A SER 231.A N THR 235.A O no hydrogen 2.918 N/A SER 231.A OG GLN 237.A OE1 no hydrogen 3.221 N/A THR 235.A N ASP 233.A OD1 no hydrogen 3.137 N/A THR 235.A OG1 ASP 233.A OD1 no hydrogen 2.677 N/A TYR 236.A N PHE 205.A O no hydrogen 2.844 N/A GLN 237.A N LEU 229.A O no hydrogen 2.986 N/A ALA 238.A N ALA 202.A O no hydrogen 2.869 N/A ALA 240.A N CYS 200.A O no hydrogen 3.012 N/A SER 241.A N ASP 224.A O no hydrogen 2.795 N/A ILE 242.A N LEU 198.A O no hydrogen 3.011 N/A SER 246.A N MET 215.A O no hydrogen 3.023 N/A SER 246.A OG HIS 248.A NE2 no hydrogen 2.997 N/A CYS 247.A N LEU 258.A O no hydrogen 2.823 N/A HIS 248.A N THR 213.A O no hydrogen 2.662 N/A HIS 248.A ND1 HIS 255.A NE2 no hydrogen 2.944 N/A HIS 248.A NE2 SER 246.A OG no hydrogen 2.997 N/A VAL 249.A N MET 256.A O no hydrogen 2.822 N/A GLU 250.A N TYR 211.A O no hydrogen 2.763 N/A HIS 251.A N VAL 254.A O no hydrogen 3.095 N/A HIS 251.A NE2 PRO 207.A O no hydrogen 2.911 N/A VAL 254.A N HIS 251.A O no hydrogen 3.131 N/A HIS 255.A NE2 HIS 248.A ND1 no hydrogen 2.944 N/A MET 256.A N VAL 249.A O no hydrogen 2.801 N/A LEU 258.A N CYS 247.A O no hydrogen 2.870 N/A VAL 260.A N TYR 245.A O no hydrogen 2.760 N/A