Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r1j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 15.A O no hydrogen 2.943 N/A THR 4.A N ARG 13.A O no hydrogen 2.895 N/A LYS 5.A NZ GLY 7.A O no hydrogen 2.978 N/A LYS 5.A NZ SER 8.A O no hydrogen 3.289 N/A LEU 6.A N GLY 11.A O no hydrogen 2.818 N/A ARG 9.A NH1 ASN 182.A OD1 no hydrogen 2.697 N/A GLY 11.A N HIS 38.A O no hydrogen 2.892 N/A ALA 12.A N VAL 40.A O no hydrogen 3.061 N/A ARG 13.A N THR 4.A O no hydrogen 2.857 N/A ARG 13.A NE.A ASP 15.A OD2 no hydrogen 2.843 N/A ARG 13.A NE.B ASP 15.A OD1 no hydrogen 2.796 N/A ARG 13.A NH2.B ASP 15.A OD1 no hydrogen 3.163 N/A VAL 14.A N PHE 42.A O no hydrogen 2.811 N/A ASP 15.A N THR 2.A O no hydrogen 2.899 N/A LEU 19.A N GLN 46.A OE1 no hydrogen 2.740 N/A THR 27.A N ASP 24.A OD1 no hydrogen 2.940 N/A THR 27.A OG1 ASP 24.A OD1 no hydrogen 2.644 N/A VAL 28.A N ASP 24.A O no hydrogen 3.099 N/A GLU 29.A N ASP 25.A O no hydrogen 2.943 N/A GLN 30.A N ALA 26.A O no hydrogen 2.934 N/A GLN 30.A NE2 ALA 26.A O no hydrogen 3.487 N/A ILE 31.A N THR 27.A O no hydrogen 2.930 N/A ARG 32.A N VAL 28.A O no hydrogen 2.808 N/A ARG 32.A NE.B GLU 29.A OE2 no hydrogen 2.676 N/A ARG 32.A NH1.A LEU 61.A O no hydrogen 3.121 N/A ARG 32.A NH1.B GLU 143.A OE1 no hydrogen 2.613 N/A ARG 32.A NH2.A LEU 60.A O no hydrogen 3.511 N/A ARG 32.A NH2.B GLU 29.A OE2 no hydrogen 2.784 N/A ARG 33.A N GLU 29.A O no hydrogen 2.912 N/A ALA 34.A N GLN 30.A O no hydrogen 2.993 N/A LEU 35.A N ILE 31.A O no hydrogen 2.853 N/A LEU 36.A N ARG 32.A O no hydrogen 2.938 N/A THR 37.A N ARG 33.A O no hydrogen 2.897 N/A THR 37.A OG1 ARG 33.A O no hydrogen 2.892 N/A HIS 38.A N ALA 34.A O no hydrogen 2.853 N/A LYS 39.A N LEU 35.A O no hydrogen 2.805 N/A LYS 39.A NZ LEU 36.A O no hydrogen 3.078 N/A LYS 39.A NZ THR 37.A O no hydrogen 3.256 N/A LYS 39.A NZ GLU 146.A OE1 no hydrogen 2.716 N/A VAL 40.A N HIS 38.A O no hydrogen 2.828 N/A ILE 41.A N MET 195.A O no hydrogen 2.864 N/A PHE 42.A N ALA 12.A O no hydrogen 2.912 N/A PHE 43.A N VAL 193.A O no hydrogen 2.833 N/A ARG 44.A NE ASP 192.A OD1 no hydrogen 2.867 N/A ARG 44.A NH2 ASP 192.A OD2 no hydrogen 2.862 N/A GLN 46.A N GLY 191.A O no hydrogen 2.879 N/A GLN 46.A NE2 VAL 17.A O no hydrogen 2.857 N/A GLN 46.A NE2 ARG 44.A O no hydrogen 3.081 N/A HIS 48.A NE2 LEU 19.A O no hydrogen 2.676 N/A LEU 49.A N GLN 46.A O no hydrogen 3.181 N/A ARG 53.A N ASP 50.A OD1 no hydrogen 2.954 N/A GLN 54.A N ASP 50.A O no hydrogen 2.917 N/A GLN 54.A NE2 ILE 85.A O no hydrogen 3.000 N/A GLN 54.A NE2 HIS 217.A O no hydrogen 2.916 N/A LEU 55.A N ASP 51.A O no hydrogen 2.981 N/A GLU 56.A N SER 52.A O no hydrogen 2.889 N/A PHE 57.A N ARG 53.A O no hydrogen 2.926 N/A ALA 58.A N GLN 54.A O no hydrogen 2.847 N/A ARG 59.A N LEU 55.A O no hydrogen 2.949 N/A LEU 60.A N PHE 57.A O no hydrogen 2.919 N/A LEU 61.A N ALA 58.A O no hydrogen 2.959 N/A GLY 62.A N ALA 58.A O no hydrogen 3.134 N/A ILE 65.A N THR 220.A O no hydrogen 2.810 N/A GLY 66.A N GLU 243.A O no hydrogen 3.141 N/A HIS 71.A N HIS 203.A O no hydrogen 3.072 N/A HIS 71.A ND1 ARG 69.A O no hydrogen 2.735 N/A THR 72.A OG1 THR 201.A O no hydrogen 2.807 N/A ASP 73.A N ASN 198.A OD1 no hydrogen 2.936 N/A THR 75.A OG1 HIS 125.A ND1 no hydrogen 2.865 N/A ALA 77.A N VAL 74.A O no hydrogen 2.998 N/A ASN 79.A ND2 LEU 242.A O no hydrogen 2.999 N/A ALA 82.A N LEU 221.A O no hydrogen 2.871 N/A SER 84.A N TRP 196.A O no hydrogen 3.278 N/A SER 84.A OG THR 220.A OG1 no hydrogen 2.857 N/A ILE 85.A N ILE 219.A O no hydrogen 2.763 N/A LEU 86.A N ALA 194.A O no hydrogen 2.835 N/A ARG 87.A N HIS 217.A O no hydrogen 3.028 N/A ARG 87.A NH1 ASP 51.A OD1 no hydrogen 3.266 N/A ARG 87.A NH2 ASP 51.A OD1 no hydrogen 2.857 N/A ARG 87.A NH2 GLN 54.A OE1 no hydrogen 2.841 N/A ALA 88.A N ASP 192.A O no hydrogen 3.206 N/A VAL 89.A N LEU 215.A O no hydrogen 2.790 N/A THR 90.A N LEU 215.A O no hydrogen 2.875 N/A SER 93.A N GLN 212.A OE1 no hydrogen 3.048 N/A SER 93.A OG GLN 212.A OE1 no hydrogen 2.620 N/A TYR 94.A OH ASP 210.A OD2 no hydrogen 2.462 N/A GLY 96.A N ASP 208.A OD1 no hydrogen 2.700 N/A THR 98.A N TRP 186.A O no hydrogen 3.105 N/A LEU 99.A N ARG 204.A O no hydrogen 3.022 N/A TRP 100.A N VAL 184.A O no hydrogen 2.952 N/A ALA 101.A N GLN 202.A O no hydrogen 2.930 N/A SER 102.A N ASN 182.A O no hydrogen 2.822 N/A THR 103.A N ALA 200.A O no hydrogen 2.949 N/A ALA 105.A N SER 102.A OG no hydrogen 2.985 N/A ALA 106.A N SER 102.A O no hydrogen 3.108 N/A TYR 107.A N THR 103.A O no hydrogen 3.209 N/A TYR 107.A OH GLU 119.A OE2 no hydrogen 2.556 N/A GLN 108.A N VAL 104.A O no hydrogen 2.956 N/A GLN 109.A N ALA 105.A O no hydrogen 3.014 N/A LEU 110.A N TYR 107.A O no hydrogen 2.998 N/A ARG 115.A N PRO 111.A O no hydrogen 3.064 N/A ARG 115.A NE LEU 110.A O no hydrogen 3.053 N/A ARG 115.A NH2 GLN 108.A O no hydrogen 2.940 N/A HIS 116.A N GLU 112.A O no hydrogen 2.948 N/A HIS 116.A NE2 GLU 112.A OE2.B no hydrogen 3.113 N/A LEU 117.A N PRO 113.A O no hydrogen 3.026 N/A THR 118.A N LEU 114.A O no hydrogen 2.999 N/A THR 118.A OG1 LEU 114.A O no hydrogen 2.958 N/A THR 118.A OG1 ARG 115.A O no hydrogen 3.547 N/A GLU 119.A N ARG 115.A O no hydrogen 2.978 N/A ASN 120.A N LEU 117.A O no hydrogen 3.039 N/A ASN 120.A ND2 HIS 116.A O no hydrogen 2.833 N/A ALA 123.A N HIS 135.A O no hydrogen 2.804 N/A LEU 124.A N GLY 157.A O no hydrogen 2.892 N/A HIS 125.A N THR 133.A O no hydrogen 2.865 N/A HIS 125.A ND1 THR 75.A OG1 no hydrogen 2.865 N/A THR 126.A N PHE 154.A O no hydrogen 3.048 N/A ASN 127.A N PHE 131.A O no hydrogen 3.363 N/A ASN 127.A ND2 PRO 129.A O no hydrogen 2.835 N/A ARG 128.A N THR 126.A OG1 no hydrogen 3.180 N/A PHE 131.A N ASN 127.A OD1 no hydrogen 2.866 N/A ARG 132.A N SER 238.A O no hydrogen 2.900 N/A THR 133.A N HIS 125.A O no hydrogen 2.967 N/A THR 133.A OG1 PHE 76.A O no hydrogen 2.597 N/A GLU 134.A N ARG 235.A O no hydrogen 2.818 N/A HIS 135.A N ALA 123.A O no hydrogen 2.867 N/A HIS 135.A ND1 SER 234.A OG no hydrogen 2.544 N/A HIS 135.A NE2 ALA 77.A O no hydrogen 3.013 N/A VAL 137.A N LEU 121.A O no hydrogen 2.992 N/A ARG 139.A N ALA 148.A O no hydrogen 3.023 N/A ARG 139.A NH1 TYR 80.A OH no hydrogen 2.926 N/A ARG 139.A NH2 ASP 224.A O no hydrogen 3.539 N/A ARG 139.A NH2 ASP 224.A OD1 no hydrogen 2.742 N/A VAL 140.A N VAL 227.A O no hydrogen 2.853 N/A HIS 141.A N GLU 146.A O no hydrogen 2.797 N/A HIS 141.A NE2 ASP 197.A OD2 no hydrogen 2.749 N/A GLU 143.A N HIS 141.A ND1 no hydrogen 2.983 N/A THR 144.A N HIS 141.A ND1 no hydrogen 3.219 N/A GLY 145.A N HIS 141.A O no hydrogen 2.889 N/A GLU 146.A N THR 144.A OG1 no hydrogen 3.031 N/A ARG 147.A NH1 TYR 107.A OH no hydrogen 3.120 N/A ALA 148.A N ARG 139.A O no hydrogen 2.946 N/A LEU 149.A N THR 103.A O no hydrogen 3.078 N/A LEU 150.A N VAL 137.A O no hydrogen 2.700 N/A GLY 152.A N GLN 174.A OE1 no hydrogen 2.946 N/A ASP 153.A N TRP 70.A O no hydrogen 2.819 N/A VAL 155.A N GLY 152.A O no hydrogen 3.143 N/A ARG 156.A N LEU 124.A O no hydrogen 2.701 N/A ARG 156.A NE THR 126.A OG1 no hydrogen 2.767 N/A ARG 156.A NH2 THR 126.A O no hydrogen 2.896 N/A PHE 158.A N SER 166.A OG no hydrogen 3.049 N/A VAL 159.A N TRP 122.A O no hydrogen 2.970 N/A LEU 161.A N PHE 158.A O no hydrogen 3.091 N/A ASP 162.A N GLU 165.A OE1 no hydrogen 3.049 N/A GLU 165.A N ASP 162.A OD1 no hydrogen 2.774 N/A SER 166.A N ASP 162.A O no hydrogen 2.902 N/A SER 166.A OG ASP 162.A O no hydrogen 2.884 N/A SER 167.A N GLY 163.A O no hydrogen 2.944 N/A VAL 168.A N HIS 164.A O no hydrogen 2.921 N/A LEU 169.A N GLU 165.A O no hydrogen 2.934 N/A LEU 170.A N SER 166.A O no hydrogen 2.893 N/A GLU 171.A N SER 167.A O no hydrogen 3.192 N/A LEU 172.A N VAL 168.A O no hydrogen 2.963 N/A LEU 173.A N LEU 169.A O no hydrogen 2.963 N/A GLN 174.A N LEU 170.A O no hydrogen 2.803 N/A GLN 174.A NE2 GLN 202.A OE1 no hydrogen 2.907 N/A ARG 175.A N GLU 171.A O no hydrogen 2.787 N/A ARG 176.A N LEU 172.A O no hydrogen 3.194 N/A ARG 176.A NH1 GLN 109.A O no hydrogen 3.260 N/A ILE 177.A N LEU 173.A O no hydrogen 2.954 N/A THR 178.A N GLN 174.A O no hydrogen 2.996 N/A THR 178.A OG1 GLN 174.A O no hydrogen 2.814 N/A MET 179.A N ARG 176.A O no hydrogen 3.389 N/A ASN 182.A N MET 179.A O no hydrogen 2.838 N/A ASN 182.A ND2 ARG 176.A O no hydrogen 3.026 N/A ASN 182.A ND2 ILE 177.A O no hydrogen 3.333 N/A THR 183.A N PRO 180.A O no hydrogen 3.008 N/A THR 183.A OG1 PRO 180.A O no hydrogen 2.953 N/A VAL 184.A N TRP 100.A O no hydrogen 2.957 N/A ARG 185.A NE SER 97.A OG no hydrogen 2.772 N/A TRP 186.A N THR 98.A O no hydrogen 2.859 N/A TRP 186.A NE1 ASP 192.A OD2 no hydrogen 2.855 N/A TRP 188.A NE1 THR 98.A OG1 no hydrogen 2.820 N/A ALA 189.A N ASP 192.A OD2 no hydrogen 2.903 N/A ASP 192.A N ALA 189.A O no hydrogen 3.037 N/A VAL 193.A N PHE 43.A O no hydrogen 2.883 N/A ALA 194.A N LEU 86.A O no hydrogen 2.858 N/A MET 195.A N ILE 41.A O no hydrogen 2.813 N/A TRP 196.A N SER 84.A O no hydrogen 3.112 N/A ASP 197.A N LYS 39.A O no hydrogen 2.825 N/A ASN 198.A N ALA 82.A O no hydrogen 2.798 N/A ASN 198.A ND2 ASP 73.A O no hydrogen 3.320 N/A ASN 198.A ND2 PRO 81.A O no hydrogen 2.862 N/A ARG 199.A N ASP 197.A OD1 no hydrogen 2.906 N/A ARG 199.A NE ASP 197.A OD1 no hydrogen 2.942 N/A ARG 199.A NH1 GLU 143.A OE2 no hydrogen 2.801 N/A ARG 199.A NH2 GLU 143.A OE2 no hydrogen 3.040 N/A ARG 199.A NH2 ASP 197.A OD1 no hydrogen 3.388 N/A ARG 199.A NH2 ASP 197.A OD2 no hydrogen 3.441 N/A ALA 200.A N ASP 197.A O no hydrogen 3.083 N/A THR 201.A OG1 ASP 197.A O no hydrogen 2.757 N/A GLN 202.A N ALA 101.A O no hydrogen 3.100 N/A GLN 202.A NE2 GLN 174.A OE1 no hydrogen 2.947 N/A HIS 203.A N HIS 71.A O no hydrogen 2.856 N/A ARG 204.A N LEU 99.A O no hydrogen 2.867 N/A ARG 204.A NH1 ALA 205.A O no hydrogen 2.855 N/A ALA 205.A N ALA 67.A O no hydrogen 3.064 N/A ASP 208.A N ILE 206.A O no hydrogen 3.089 N/A GLN 212.A N TYR 209.A O no hydrogen 3.073 N/A GLN 212.A NE2 TYR 209.A O no hydrogen 3.011 N/A ARG 214.A NH2 GLY 96.A O no hydrogen 2.891 N/A LEU 215.A N THR 90.A O no hydrogen 2.669 N/A HIS 217.A N ARG 87.A O no hydrogen 2.849 N/A ILE 219.A N ILE 85.A O no hydrogen 2.869 N/A THR 220.A OG1 SER 84.A OG no hydrogen 2.857 N/A LEU 221.A N ALA 83.A O no hydrogen 2.720 N/A MET 222.A N THR 63.A O no hydrogen 2.795 N/A ASN 228.A N GLU 232.A O no hydrogen 2.861 N/A ASN 228.A ND2 GLU 232.A OE1 no hydrogen 2.825 N/A HIS 230.A N ASN 228.A OD1 no hydrogen 2.944 N/A HIS 230.A NE2 ASN 120.A OD1 no hydrogen 2.854 N/A GLY 231.A N ASN 228.A O no hydrogen 3.174 N/A GLU 232.A N ASN 228.A OD1 no hydrogen 2.736 N/A ARG 233.A NH1 VAL 225.A O no hydrogen 2.979 N/A SER 234.A N PRO 226.A O no hydrogen 3.266 N/A SER 234.A OG HIS 135.A ND1 no hydrogen 2.544 N/A ARG 235.A N GLU 134.A O no hydrogen 2.875 N/A ARG 235.A NE GLU 134.A OE1 no hydrogen 2.732 N/A ARG 235.A NH2 GLU 134.A OE1 no hydrogen 2.857 N/A ILE 237.A N ARG 132.A O no hydrogen 2.825 N/A SER 238.A N ARG 132.A O no hydrogen 2.942 N/A SER 238.A OG ASP 130.A O no hydrogen 2.791 N/A LEU 242.A N ASN 79.A OD1 no hydrogen 2.857 N/A LEU 245.A N PRO 64.A O no hydrogen 2.864 N/A