Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ajd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 PHE 4.A O no hydrogen 2.873 N/A ILE 5.A N PHE 37.A O no hydrogen 2.897 N/A ARG 6.A N MET 58.A O no hydrogen 2.852 N/A ARG 6.A NE GLN 60.A OE1 no hydrogen 2.743 N/A ARG 6.A NH1 GLN 95.A OE1 no hydrogen 2.597 N/A ARG 6.A NH2 GLN 60.A OE1 no hydrogen 3.284 N/A ARG 6.A NH2 THR 91.A OG1 no hydrogen 2.831 N/A VAL 7.A N TYR 35.A O no hydrogen 2.700 N/A ASN 8.A N TYR 56.A O no hydrogen 2.867 N/A ASN 8.A ND2 GLY 55.A O no hydrogen 2.893 N/A ASN 8.A ND2 MET 123.A O no hydrogen 2.824 N/A LEU 10.A N ASN 8.A OD1 no hydrogen 3.129 N/A LYS 11.A N ASN 8.A O no hydrogen 2.904 N/A LYS 11.A NZ PHE 54.A O no hydrogen 2.717 N/A LYS 11.A NZ ARG 122.A O no hydrogen 3.259 N/A ILE 12.A N ASN 8.A O no hydrogen 3.037 N/A VAL 16.A N ASN 13.A OD1 no hydrogen 3.023 N/A LEU 17.A N ASN 13.A O no hydrogen 3.002 N/A LYS 18.A N PRO 14.A O no hydrogen 2.867 N/A LYS 19.A N GLU 15.A O no hydrogen 3.070 N/A ARG 20.A N VAL 16.A O no hydrogen 3.132 N/A ARG 20.A NE GLU 51.A OE2 no hydrogen 2.780 N/A LEU 21.A N LEU 17.A O no hydrogen 2.971 N/A GLU 22.A N LYS 18.A O no hydrogen 2.863 N/A ASN 23.A N LYS 19.A O no hydrogen 2.869 N/A LYS 24.A N LEU 21.A O no hydrogen 2.945 N/A LYS 24.A NZ GLU 51.A OE1 no hydrogen 2.815 N/A LYS 24.A NZ GLU 51.A OE2 no hydrogen 2.872 N/A GLY 25.A N GLU 22.A O no hydrogen 2.933 N/A VAL 26.A N LEU 21.A O no hydrogen 3.140 N/A VAL 27.A N LYS 41.A O no hydrogen 2.819 N/A GLU 29.A N GLU 38.A O no hydrogen 2.860 N/A LYS 30.A NZ GLU 15.A OE1 no hydrogen 3.488 N/A THR 31.A OG1 LEU 33.A O no hydrogen 3.060 N/A THR 31.A OG1 ALA 36.A O no hydrogen 2.890 N/A LEU 33.A N THR 31.A OG1 no hydrogen 3.042 N/A TYR 35.A OH HIS 92.A NE2 no hydrogen 2.903 N/A ALA 36.A N LEU 33.A O no hydrogen 3.292 N/A PHE 37.A N ILE 5.A O no hydrogen 2.976 N/A GLU 38.A N GLU 29.A O no hydrogen 2.881 N/A VAL 39.A N GLN 3.A O no hydrogen 2.777 N/A LYS 40.A N VAL 27.A O no hydrogen 2.801 N/A LYS 40.A NZ GLU 29.A OE2 no hydrogen 2.636 N/A SER 42.A OG PHE 44.A O no hydrogen 2.770 N/A SER 48.A N SER 45.A O no hydrogen 3.060 N/A SER 48.A OG SER 45.A O no hydrogen 2.709 N/A THR 49.A OG1 TYR 57.A OH no hydrogen 2.775 N/A GLU 51.A N GLU 51.A OE1 no hydrogen 2.827 N/A TYR 52.A N THR 49.A OG1 no hydrogen 2.919 N/A LEU 53.A N THR 49.A O no hydrogen 3.167 N/A PHE 54.A N PRO 50.A O no hydrogen 2.789 N/A GLY 55.A N TYR 52.A O no hydrogen 2.921 N/A TYR 56.A N GLU 51.A O no hydrogen 2.956 N/A TYR 57.A OH ILE 46.A O no hydrogen 2.338 N/A TYR 57.A OH THR 49.A OG1 no hydrogen 2.775 N/A MET 58.A N ARG 6.A O no hydrogen 2.819 N/A GLN 60.A N PHE 4.A O no hydrogen 3.158 N/A GLN 60.A NE2 SER 64.A OG no hydrogen 2.937 N/A SER 61.A OG GLU 244.A OE1 no hydrogen 2.597 N/A SER 63.A OG GLU 244.A O no hydrogen 2.712 N/A SER 64.A N SER 61.A OG no hydrogen 2.955 N/A SER 64.A OG SER 61.A O no hydrogen 2.771 N/A SER 64.A OG SER 61.A OG no hydrogen 3.294 N/A MET 65.A N ILE 62.A O no hydrogen 2.967 N/A ILE 66.A N SER 63.A O no hydrogen 3.041 N/A VAL 70.A N ILE 66.A O no hydrogen 2.922 N/A LEU 71.A N PRO 67.A O no hydrogen 2.883 N/A ASN 72.A N PRO 68.A O no hydrogen 2.943 N/A ARG 74.A N ASP 77.A OD2 no hydrogen 2.809 N/A ARG 74.A NE ASP 76.A OD2 no hydrogen 3.123 N/A ASP 77.A N ARG 74.A O no hydrogen 3.103 N/A PHE 78.A N ASP 150.A OD1 no hydrogen 2.810 N/A ILE 79.A N THR 102.A O no hydrogen 2.846 N/A LEU 80.A N LYS 151.A O no hydrogen 3.132 N/A ASP 81.A N VAL 104.A O no hydrogen 2.806 N/A MET 82.A N LEU 153.A O no hydrogen 3.001 N/A ALA 84.A N VAL 106.A O no hydrogen 2.879 N/A ALA 85.A N GLU 107.A OE1 no hydrogen 3.212 N/A LYS 89.A NZ ASP 155.A OD2 no hydrogen 2.691 N/A THR 90.A OG1 ASP 81.A OD1 no hydrogen 2.626 N/A THR 91.A N GLY 87.A O no hydrogen 2.950 N/A THR 91.A OG1 GLY 87.A O no hydrogen 3.021 N/A THR 91.A OG1 GLY 88.A O no hydrogen 3.141 N/A HIS 92.A N GLY 88.A O no hydrogen 3.079 N/A HIS 92.A NE2 TYR 35.A OH no hydrogen 2.903 N/A LEU 93.A N LYS 89.A O no hydrogen 2.802 N/A ALA 94.A N THR 90.A O no hydrogen 3.035 N/A GLN 95.A N THR 91.A O no hydrogen 2.984 N/A GLN 95.A NE2 VAL 7.A O no hydrogen 3.018 N/A LEU 96.A N HIS 92.A O no hydrogen 2.910 N/A MET 97.A N LEU 93.A O no hydrogen 2.947 N/A LYS 98.A N GLN 95.A O no hydrogen 2.996 N/A ASN 99.A N ALA 94.A O no hydrogen 2.932 N/A ASN 99.A ND2 GLY 124.A O no hydrogen 3.023 N/A LYS 100.A N MET 97.A O no hydrogen 2.984 N/A THR 102.A N ASP 77.A O no hydrogen 3.167 N/A ILE 103.A N ASN 127.A O no hydrogen 2.916 N/A VAL 104.A N ILE 79.A O no hydrogen 2.756 N/A ALA 105.A N ILE 129.A O no hydrogen 2.847 N/A VAL 106.A N ASP 81.A O no hydrogen 2.972 N/A GLU 107.A N ILE 131.A O no hydrogen 2.960 N/A SER 109.A N GLU 107.A OE2 no hydrogen 3.061 N/A ARG 112.A N SER 109.A OG no hydrogen 2.990 N/A ARG 112.A NE GLU 107.A OE2 no hydrogen 2.812 N/A ARG 112.A NH2 GLU 107.A OE2 no hydrogen 3.018 N/A ARG 112.A NH2 ILE 163.A O no hydrogen 2.701 N/A THR 113.A N SER 109.A O no hydrogen 2.860 N/A THR 113.A OG1 SER 109.A O no hydrogen 2.710 N/A LYS 114.A N LYS 110.A O no hydrogen 3.368 N/A LYS 114.A N THR 111.A O no hydrogen 3.014 N/A LEU 116.A N ARG 112.A O no hydrogen 2.937 N/A LYS 117.A N THR 113.A O no hydrogen 2.829 N/A SER 118.A N LYS 114.A O no hydrogen 2.856 N/A ASN 119.A N ALA 115.A O no hydrogen 3.012 N/A ASN 119.A ND2 PRO 86.A O no hydrogen 2.809 N/A ILE 120.A N LEU 116.A O no hydrogen 2.957 N/A ASN 121.A N LYS 117.A O no hydrogen 2.905 N/A ARG 122.A N SER 118.A O no hydrogen 2.763 N/A ARG 122.A NE ASN 119.A OD1 no hydrogen 3.441 N/A ARG 122.A NH1 TYR 52.A O no hydrogen 2.920 N/A ARG 122.A NH1 TYR 57.A O no hydrogen 3.084 N/A ARG 122.A NH2 ASN 119.A OD1 no hydrogen 2.829 N/A MET 123.A N ASN 119.A O no hydrogen 2.891 N/A GLY 124.A N ASN 121.A O no hydrogen 3.102 N/A VAL 125.A N ILE 120.A O no hydrogen 3.005 N/A LEU 126.A N ASN 99.A OD1 no hydrogen 2.785 N/A ASN 127.A ND2 LYS 100.A O no hydrogen 2.876 N/A THR 128.A OG1 ASN 127.A OD1 no hydrogen 2.965 N/A ILE 129.A N ILE 103.A O no hydrogen 2.736 N/A ILE 131.A N ALA 105.A O no hydrogen 2.835 N/A ASN 132.A ND2 GLU 107.A O no hydrogen 2.887 N/A ASN 132.A ND2 ILE 108.A O no hydrogen 3.071 N/A ALA 133.A N GLU 107.A O no hydrogen 3.059 N/A MET 135.A N TYR 165.A OH no hydrogen 2.841 N/A ARG 136.A N ASP 134.A OD1 no hydrogen 2.938 N/A ARG 136.A NE ASP 134.A OD1 no hydrogen 2.896 N/A ARG 136.A NE ASP 134.A OD2 no hydrogen 3.303 N/A ARG 136.A NH2 ASP 134.A OD2 no hydrogen 2.810 N/A ARG 136.A NH2 ASP 162.A OD1 no hydrogen 2.958 N/A LYS 137.A N ASP 134.A O no hydrogen 2.903 N/A TYR 138.A N ASP 134.A O no hydrogen 2.838 N/A LYS 139.A N MET 135.A O no hydrogen 2.945 N/A LYS 139.A NZ.A ASP 140.A OD1 no hydrogen 2.954 N/A LYS 139.A NZ.B ARG 136.A O no hydrogen 2.736 N/A LYS 139.A NZ.B ASP 140.A OD1 no hydrogen 3.163 N/A LYS 139.A NZ.B ASP 140.A OD2 no hydrogen 3.021 N/A ASP 140.A N LYS 137.A O no hydrogen 2.959 N/A LEU 142.A N TYR 138.A O no hydrogen 3.000 N/A LEU 143.A N LYS 139.A O no hydrogen 2.889 N/A LYS 144.A N ASP 140.A O no hydrogen 2.959 N/A ASN 145.A N TYR 141.A O no hydrogen 3.173 N/A ASN 145.A N LEU 142.A O no hydrogen 3.257 N/A ASN 145.A ND2 TYR 141.A O no hydrogen 3.187 N/A GLU 146.A N LEU 143.A O no hydrogen 2.978 N/A ILE 147.A N LEU 142.A O no hydrogen 2.865 N/A PHE 149.A N LEU 180.A O no hydrogen 2.864 N/A ASP 150.A N PHE 78.A O no hydrogen 2.865 N/A LYS 151.A NZ ASP 77.A OD2 no hydrogen 2.688 N/A ILE 152.A N GLU 186.A O no hydrogen 2.932 N/A LEU 153.A N LEU 80.A O no hydrogen 2.792 N/A LEU 154.A N VAL 188.A O no hydrogen 2.843 N/A ALA 156.A N SER 190.A O no hydrogen 2.884 N/A SER 159.A OG ASP 162.A OD2 no hydrogen 2.914 N/A ASP 162.A N SER 159.A OG no hydrogen 2.992 N/A ILE 163.A N SER 159.A O no hydrogen 3.040 N/A LYS 164.A N GLU 160.A O no hydrogen 3.104 N/A TYR 165.A N ASP 162.A O no hydrogen 2.945 N/A SER 167.A N LYS 164.A O no hydrogen 2.880 N/A SER 167.A OG.A LYS 164.A O no hydrogen 2.740 N/A SER 167.A OG.B PRO 157.A O no hydrogen 2.896 N/A LEU 168.A N TYR 165.A O no hydrogen 3.059 N/A ARG 169.A N TYR 165.A O no hydrogen 2.734 N/A GLN 170.A N GLN 170.A OE1 no hydrogen 2.722 N/A GLN 170.A NE2 SER 167.A O no hydrogen 2.939 N/A LYS 171.A NZ GLU 197.A OE1 no hydrogen 2.813 N/A LEU 173.A N ARG 169.A O no hydrogen 2.745 N/A ILE 174.A N GLN 170.A O no hydrogen 2.875 N/A ASP 175.A N LYS 171.A O no hydrogen 3.215 N/A ILE 176.A N GLU 172.A O no hydrogen 3.034 N/A GLY 177.A N LEU 173.A O no hydrogen 2.803 N/A ILE 178.A N ILE 174.A O no hydrogen 2.993 N/A ASP 179.A N ASP 175.A O no hydrogen 3.068 N/A LEU 180.A N ILE 176.A O no hydrogen 3.012 N/A LEU 180.A N GLY 177.A O no hydrogen 3.044 N/A LEU 181.A N ILE 178.A O no hydrogen 3.201 N/A LYS 182.A N PHE 149.A O no hydrogen 2.993 N/A LYS 182.A NZ ASP 150.A OD1 no hydrogen 3.539 N/A LYS 182.A NZ ASP 150.A OD2 no hydrogen 2.889 N/A ASP 184.A N LYS 253.A O no hydrogen 2.847 N/A GLY 185.A N LYS 182.A O no hydrogen 2.737 N/A GLU 186.A N ASP 150.A O no hydrogen 3.131 N/A LEU 187.A N LEU 251.A O no hydrogen 2.905 N/A VAL 188.A N ILE 152.A O no hydrogen 2.915 N/A TYR 189.A N ALA 249.A O no hydrogen 2.881 N/A TYR 189.A OH GLU 198.A O no hydrogen 2.726 N/A SER 190.A N LEU 154.A O no hydrogen 2.923 N/A SER 190.A OG ASP 155.A OD1 no hydrogen 2.791 N/A THR 191.A N PHE 247.A O no hydrogen 3.041 N/A THR 191.A OG1 ALA 156.A O no hydrogen 2.799 N/A SER 193.A N THR 191.A OG1 no hydrogen 2.999 N/A SER 193.A OG GLU 198.A OE1 no hydrogen 2.654 N/A GLU 195.A N SER 193.A OG no hydrogen 3.055 N/A GLU 198.A N GLU 195.A O no hydrogen 2.953 N/A ASN 199.A ND2 SER 193.A O no hydrogen 2.813 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 2.758 N/A VAL 202.A N ASN 199.A O no hydrogen 2.972 N/A LYS 204.A N GLU 200.A O no hydrogen 2.825 N/A LYS 204.A NZ GLU 201.A OE2 no hydrogen 2.796 N/A TYR 205.A N GLU 201.A O no hydrogen 2.953 N/A ILE 206.A N VAL 202.A O no hydrogen 3.141 N/A LEU 207.A N ILE 203.A O no hydrogen 3.005 N/A GLN 208.A N LYS 204.A O no hydrogen 3.072 N/A LYS 209.A N TYR 205.A O no hydrogen 2.848 N/A ARG 210.A N ILE 206.A O no hydrogen 3.089 N/A ARG 210.A NE ASP 212.A OD1 no hydrogen 2.798 N/A ARG 210.A NH1 ASP 175.A OD2 no hydrogen 2.908 N/A ARG 210.A NH1 ASP 179.A OD1 no hydrogen 2.816 N/A ARG 210.A NH2 ASP 179.A OD1 no hydrogen 3.184 N/A ARG 210.A NH2 ASP 212.A OD1 no hydrogen 3.551 N/A ARG 210.A NH2 ASP 212.A OD2 no hydrogen 2.803 N/A GLU 214.A N ARG 252.A O no hydrogen 2.945 N/A ILE 216.A N LYS 250.A O no hydrogen 2.822 N/A ILE 218.A N GLY 235.A O no hydrogen 2.956 N/A PHE 223.A N ALA 220.A O no hydrogen 3.067 N/A LYS 224.A NZ ASN 221.A O no hydrogen 3.155 N/A ILE 226.A N PHE 223.A O no hydrogen 3.270 N/A ASN 227.A N ASN 243.A OD1 no hydrogen 2.918 N/A ASN 227.A ND2 PRO 241.A O no hydrogen 2.841 N/A LYS 229.A N ARG 238.A O no hydrogen 3.030 N/A GLY 231.A N THR 236.A O no hydrogen 2.945 N/A TYR 232.A N GLU 200.A OE2 no hydrogen 2.774 N/A TYR 232.A OH GLU 201.A OE2 no hydrogen 2.565 N/A GLY 235.A N GLU 230.A OE2 no hydrogen 2.831 N/A THR 236.A N ILE 233.A O no hydrogen 3.149 N/A THR 236.A OG1 ILE 233.A O no hydrogen 2.840 N/A LEU 237.A N ILE 248.A O no hydrogen 2.891 N/A ARG 238.A N LYS 229.A O no hydrogen 2.830 N/A ARG 238.A NH1 GLU 200.A OE2 no hydrogen 2.890 N/A ARG 238.A NH2 ASN 199.A OD1 no hydrogen 2.796 N/A ARG 238.A NH2 GLU 200.A OE1 no hydrogen 2.777 N/A ARG 238.A NH2 GLU 200.A OE2 no hydrogen 3.446 N/A VAL 239.A N PHE 246.A O no hydrogen 2.759 N/A PHE 240.A N ASN 227.A O no hydrogen 2.806 N/A ASN 243.A N PHE 240.A O no hydrogen 3.135 N/A PHE 246.A N VAL 239.A O no hydrogen 3.316 N/A PHE 247.A N THR 191.A O no hydrogen 2.892 N/A ILE 248.A N LEU 237.A O no hydrogen 2.861 N/A ALA 249.A N TYR 189.A O no hydrogen 2.896 N/A LYS 250.A NZ VAL 70.A O no hydrogen 2.827 N/A LYS 250.A NZ GLU 186.A OE1 no hydrogen 3.226 N/A LEU 251.A N LEU 187.A O no hydrogen 2.803 N/A ARG 252.A N GLU 214.A O no hydrogen 2.825 N/A ARG 252.A NH1 GLU 214.A OE1 no hydrogen 2.636 N/A LYS 253.A N GLY 185.A O no hydrogen 2.940 N/A LYS 253.A NZ ILE 178.A O no hydrogen 2.827 N/A LYS 253.A NZ LEU 181.A O no hydrogen 2.936 N/A ILE 254.A N ASP 212.A O no hydrogen 2.829 N/A