Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1je6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A N ILE 99.A O no hydrogen 2.815 N/A HIS 4.A ND1 ASP 30.A OD1 no hydrogen 2.652 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 3.244 N/A SER 5.A N ASP 30.A OD2 no hydrogen 2.943 N/A LEU 6.A N CYS 97.A O no hydrogen 3.211 N/A ARG 7.A N HIS 28.A O no hydrogen 2.921 N/A TYR 8.A N ARG 95.A O no hydrogen 3.031 N/A TYR 8.A OH GLU 63.A OE2 no hydrogen 2.451 N/A ASN 9.A N GLU 26.A O no hydrogen 2.827 N/A LEU 10.A N GLU 93.A O no hydrogen 2.991 N/A MET 11.A N LEU 24.A O no hydrogen 2.877 N/A VAL 12.A N LEU 91.A O no hydrogen 2.970 N/A SER 14.A N HIS 89.A O no hydrogen 3.300 N/A GLN 20.A N LEU 13.A O no hydrogen 2.946 N/A LEU 24.A N MET 11.A O no hydrogen 2.921 N/A GLU 26.A N ASN 9.A O no hydrogen 2.965 N/A GLY 27.A N LEU 35.A O no hydrogen 3.213 N/A HIS 28.A N ARG 7.A O no hydrogen 2.811 N/A LEU 29.A N GLN 32.A O no hydrogen 2.606 N/A ASP 30.A N SER 5.A O no hydrogen 2.786 N/A GLN 32.A N LEU 29.A O no hydrogen 2.713 N/A PHE 34.A N GLY 27.A O no hydrogen 2.887 N/A LEU 35.A N GLY 27.A O no hydrogen 3.262 N/A ARG 36.A N LYS 45.A O no hydrogen 2.773 N/A TYR 37.A N ALA 25.A O no hydrogen 3.047 N/A ASP 38.A N ARG 43.A O no hydrogen 2.677 N/A ARG 39.A NE GLN 20.A OE1 no hydrogen 2.879 N/A ARG 39.A NE SER 21.A O no hydrogen 2.989 N/A GLN 40.A N ASP 38.A OD2 no hydrogen 3.091 N/A LYS 41.A N ASP 38.A OD2 no hydrogen 2.775 N/A ARG 42.A NE GLN 40.A O no hydrogen 3.433 N/A ARG 43.A N ASP 38.A O no hydrogen 3.181 N/A ARG 43.A NH1 ASP 61.A OD2 no hydrogen 2.897 N/A ALA 44.A N THR 64.A OG1 no hydrogen 2.721 N/A LYS 45.A N ARG 36.A O no hydrogen 2.815 N/A GLN 47.A N PHE 34.A O no hydrogen 3.203 N/A GLU 52.A N GLY 48.A O no hydrogen 2.714 N/A ASP 53.A N GLN 49.A O no hydrogen 2.297 N/A LEU 55.A N ALA 51.A O no hydrogen 3.079 N/A THR 59.A N GLY 56.A O no hydrogen 2.748 N/A TRP 60.A N GLY 56.A O no hydrogen 3.315 N/A ASP 61.A N ALA 57.A O no hydrogen 2.673 N/A THR 62.A N GLU 58.A O no hydrogen 3.179 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.704 N/A GLU 63.A N THR 59.A O no hydrogen 2.877 N/A THR 64.A N TRP 60.A O no hydrogen 2.988 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.593 N/A GLU 65.A N ASP 61.A O no hydrogen 2.909 N/A ASP 66.A N THR 62.A O no hydrogen 2.886 N/A LEU 67.A N GLU 63.A O no hydrogen 2.908 N/A THR 68.A N THR 64.A O no hydrogen 3.078 N/A THR 68.A OG1 THR 64.A O no hydrogen 2.751 N/A GLU 69.A N GLU 65.A O no hydrogen 3.078 N/A ASN 70.A N ASP 66.A O no hydrogen 2.998 N/A GLY 71.A N LEU 67.A O no hydrogen 2.798 N/A GLN 72.A N THR 68.A O no hydrogen 3.085 N/A ASP 73.A N GLU 69.A O no hydrogen 3.259 N/A LEU 74.A N ASN 70.A O no hydrogen 2.993 N/A ARG 75.A N GLY 71.A O no hydrogen 2.877 N/A ARG 75.A NH1 GLY 22.A O no hydrogen 2.656 N/A ARG 76.A N GLN 72.A O no hydrogen 2.951 N/A THR 77.A N ASP 73.A O no hydrogen 2.887 N/A THR 77.A OG1 ASP 73.A O no hydrogen 3.080 N/A LEU 78.A N LEU 74.A O no hydrogen 3.013 N/A THR 79.A N ARG 75.A O no hydrogen 3.130 N/A THR 79.A OG1 ARG 75.A O no hydrogen 3.103 N/A HIS 80.A N ARG 76.A O no hydrogen 3.350 N/A ILE 81.A N THR 77.A O no hydrogen 2.791 N/A LYS 82.A N LEU 78.A O no hydrogen 3.093 N/A LYS 82.A NZ SER 14.A OG no hydrogen 3.094 N/A HIS 89.A ND1 TYR 113.A OH no hydrogen 2.570 N/A SER 90.A N ASN 114.A OD1 no hydrogen 2.554 N/A LEU 91.A N VAL 12.A O no hydrogen 3.117 N/A GLN 92.A N TYR 112.A O no hydrogen 2.909 N/A GLU 93.A N LEU 10.A O no hydrogen 2.879 N/A ILE 94.A N HIS 110.A O no hydrogen 2.843 N/A ARG 95.A N TYR 8.A O no hydrogen 3.084 N/A ARG 95.A NH1 ASN 70.A OD1 no hydrogen 3.314 N/A ARG 95.A NH2 ASN 70.A OD1 no hydrogen 2.903 N/A VAL 96.A N SER 108.A O no hydrogen 2.925 N/A CYS 97.A N LEU 6.A O no hydrogen 2.883 N/A GLU 98.A N ARG 106.A O no hydrogen 3.115 N/A ILE 99.A N HIS 4.A O no hydrogen 2.985 N/A HIS 100.A N SER 104.A O no hydrogen 3.159 N/A SER 104.A N ASP 102.A OD2 no hydrogen 2.696 N/A SER 104.A OG ASP 102.A OD1 no hydrogen 3.416 N/A SER 104.A OG ASP 102.A OD2 no hydrogen 2.649 N/A THR 105.A OG1 GLU 124.A OE2 no hydrogen 3.100 N/A ARG 106.A N GLU 98.A O no hydrogen 2.916 N/A ARG 106.A NH1 SER 104.A OG no hydrogen 3.184 N/A ARG 106.A NH1 THR 105.A O no hydrogen 2.807 N/A SER 108.A N VAL 96.A O no hydrogen 3.105 N/A ARG 109.A N GLN 121.A O no hydrogen 2.949 N/A ARG 109.A NE GLU 93.A OE2 no hydrogen 3.126 N/A HIS 110.A N ILE 94.A O no hydrogen 2.700 N/A PHE 111.A N LEU 119.A O no hydrogen 2.872 N/A TYR 112.A N GLN 92.A O no hydrogen 2.938 N/A TYR 113.A N GLU 116.A O no hydrogen 2.727 N/A TYR 113.A OH HIS 89.A ND1 no hydrogen 2.570 N/A ASN 114.A N SER 90.A O no hydrogen 2.628 N/A GLU 116.A N TYR 113.A O no hydrogen 3.066 N/A PHE 118.A N PHE 111.A O no hydrogen 3.071 N/A SER 120.A N THR 129.A O no hydrogen 2.951 N/A GLN 121.A N ARG 109.A O no hydrogen 2.775 N/A ASN 122.A N GLU 127.A O no hydrogen 2.974 N/A LEU 123.A N GLY 107.A O no hydrogen 2.931 N/A GLU 124.A N ASN 122.A OD1 no hydrogen 2.847 N/A THR 125.A N ASN 122.A O no hydrogen 3.322 N/A THR 125.A N ASN 122.A OD1 no hydrogen 3.212 N/A THR 125.A OG1 GLU 127.A OE1 no hydrogen 3.236 N/A GLN 126.A N ASN 122.A O no hydrogen 2.596 N/A THR 129.A N SER 120.A O no hydrogen 2.693 N/A SER 133.A N PRO 131.A O no hydrogen 2.556 N/A ARG 135.A NH1 TYR 113.A O no hydrogen 3.308 N/A GLN 137.A N SER 133.A O no hydrogen 3.032 N/A GLN 137.A N SER 134.A O no hydrogen 3.055 N/A THR 138.A N SER 134.A O no hydrogen 3.015 N/A THR 138.A OG1 SER 134.A O no hydrogen 3.086 N/A LEU 139.A N ARG 135.A O no hydrogen 3.168 N/A ALA 140.A N ALA 136.A O no hydrogen 3.172 N/A MET 141.A N GLN 137.A O no hydrogen 2.903 N/A ASN 142.A N THR 138.A O no hydrogen 2.984 N/A VAL 143.A N LEU 139.A O no hydrogen 2.882 N/A THR 144.A N ALA 140.A O no hydrogen 2.964 N/A THR 144.A OG1 ALA 140.A O no hydrogen 2.453 N/A THR 144.A OG1 MET 141.A O no hydrogen 3.137 N/A ASN 145.A N MET 141.A O no hydrogen 3.026 N/A PHE 146.A N ASN 142.A O no hydrogen 2.872 N/A TRP 147.A N VAL 143.A O no hydrogen 3.095 N/A TRP 147.A N THR 144.A O no hydrogen 3.022 N/A TRP 147.A NE1 THR 77.A OG1 no hydrogen 3.188 N/A LYS 148.A N THR 144.A O no hydrogen 3.213 N/A GLU 149.A N ASN 145.A O no hydrogen 3.272 N/A ARG 159.A N THR 156.A O no hydrogen 2.783 N/A GLN 162.A N TYR 158.A O no hydrogen 3.099 N/A GLN 162.A NE2 ARG 106.A O no hydrogen 3.201 N/A ALA 163.A N ARG 159.A O no hydrogen 3.372 N/A ASP 164.A N MET 161.A O no hydrogen 3.033 N/A CYS 165.A N MET 161.A O no hydrogen 3.221 N/A CYS 165.A SG GLN 162.A O no hydrogen 3.982 N/A LEU 166.A N GLN 162.A O no hydrogen 3.150 N/A GLN 167.A N ALA 163.A O no hydrogen 3.057 N/A LYS 168.A N ASP 164.A O no hydrogen 2.982 N/A LYS 168.A NZ ASP 66.A OD2 no hydrogen 2.790 N/A LEU 169.A N CYS 165.A O no hydrogen 2.476 N/A GLN 170.A N LEU 166.A O no hydrogen 2.921 N/A ARG 171.A N GLN 167.A O no hydrogen 2.850 N/A TYR 172.A N LYS 168.A O no hydrogen 2.709 N/A TYR 172.A OH GLU 63.A OE2 no hydrogen 2.627 N/A LEU 173.A N LEU 169.A O no hydrogen 3.009 N/A LYS 174.A N GLN 170.A O no hydrogen 3.013 N/A SER 175.A N ARG 171.A O no hydrogen 2.878 N/A SER 175.A OG TYR 172.A O no hydrogen 2.886 N/A GLY 176.A N LEU 173.A O no hydrogen 2.978 N/A ILE 179.A N GLY 176.A O no hydrogen 2.747 N/A ARG 180.A N GLY 176.A O no hydrogen 3.389 N/A THR 182.A N ILE 179.A O no hydrogen 2.959 N/A THR 182.A OG1 ILE 179.A O no hydrogen 2.800 N/A VAL 183.A N TYR 209.A O no hydrogen 2.928 N/A MET 186.A N SER 206.A O no hydrogen 2.797 N/A THR 190.A N THR 202.A O no hydrogen 2.812 N/A THR 190.A OG1 THR 202.A O no hydrogen 3.538 N/A SER 192.A N THR 200.A O no hydrogen 2.688 N/A SER 195.A N ASN 198.A O no hydrogen 2.955 N/A GLU 196.A N SER 195.A OG no hydrogen 2.379 N/A ASN 198.A N SER 195.A O no hydrogen 3.177 N/A THR 200.A N SER 192.A O no hydrogen 3.050 N/A VAL 201.A N THR 248.A O no hydrogen 3.068 N/A THR 202.A N THR 190.A O no hydrogen 2.785 N/A CYS 203.A N VAL 246.A O no hydrogen 2.917 N/A ARG 204.A N ASN 188.A O no hydrogen 2.823 N/A ALA 205.A N THR 244.A O no hydrogen 3.184 N/A SER 206.A N MET 186.A O no hydrogen 2.890 N/A PHE 208.A N TYR 242.A O no hydrogen 3.207 N/A TYR 209.A N VAL 183.A O no hydrogen 3.147 N/A ARG 211.A NH1 VAL 234.A O no hydrogen 2.839 N/A ASN 212.A ND2 GLU 2.A O no hydrogen 3.026 N/A THR 214.A N GLU 263.A O no hydrogen 3.130 N/A THR 216.A N TYR 261.A O no hydrogen 3.099 N/A THR 216.A OG1 TRP 217.A O no hydrogen 3.120 N/A TRP 217.A N GLN 229.A OE1 no hydrogen 2.802 N/A TRP 217.A NE1 VAL 246.A O no hydrogen 3.288 N/A ARG 218.A N THR 259.A O no hydrogen 2.861 N/A GLN 219.A N VAL 222.A O no hydrogen 3.030 N/A ASP 220.A N ARG 257.A O no hydrogen 2.547 N/A VAL 222.A N GLN 219.A O no hydrogen 3.052 N/A LEU 224.A N TRP 217.A O no hydrogen 3.106 N/A SER 225.A OG THR 228.A OG1 no hydrogen 2.609 N/A THR 228.A N SER 225.A O no hydrogen 2.849 N/A THR 228.A OG1 SER 225.A OG no hydrogen 2.609 N/A GLN 229.A NE2 THR 216.A OG1 no hydrogen 3.080 N/A GLN 229.A NE2 LEU 224.A O no hydrogen 3.109 N/A GLN 230.A N ALA 247.A O no hydrogen 2.913 N/A TRP 231.A NE1 LEU 215.A O no hydrogen 2.856 N/A GLY 232.A N TRP 245.A O no hydrogen 3.086 N/A THR 241.A N GLY 238.A O no hydrogen 2.802 N/A THR 241.A OG1 GLY 238.A O no hydrogen 2.669 N/A TYR 242.A N PHE 208.A O no hydrogen 2.742 N/A GLN 243.A N LEU 235.A O no hydrogen 2.992 N/A THR 244.A N ALA 205.A O no hydrogen 3.043 N/A THR 244.A OG1 GLY 232.A O no hydrogen 2.975 N/A THR 244.A OG1 ASP 233.A O no hydrogen 3.550 N/A VAL 246.A N CYS 203.A O no hydrogen 3.145 N/A ALA 247.A N GLN 230.A O no hydrogen 2.967 N/A THR 248.A N VAL 201.A O no hydrogen 3.203 N/A THR 248.A OG1 THR 228.A O no hydrogen 2.747 N/A ILE 250.A N ILE 199.A O no hydrogen 2.848 N/A GLN 252.A N GLY 197.A O no hydrogen 3.240 N/A GLY 253.A N GLU 255.A OE2 no hydrogen 2.576 N/A GLU 254.A N ARG 251.A O no hydrogen 3.391 N/A ARG 257.A NE ASP 220.A OD2 no hydrogen 2.692 N/A ARG 257.A NH1 GLU 254.A OE1 no hydrogen 3.409 N/A ARG 257.A NH2 ASP 220.A OD2 no hydrogen 3.134 N/A PHE 258.A N GLU 255.A O no hydrogen 2.922 N/A THR 259.A N ARG 218.A O no hydrogen 3.225 N/A CYS 260.A N HIS 271.A O no hydrogen 2.597 N/A TYR 261.A N THR 216.A O no hydrogen 2.839 N/A TYR 261.A OH HIS 268.A ND1 no hydrogen 2.311 N/A MET 262.A N GLY 269.A O no hydrogen 2.988 N/A GLU 263.A N THR 214.A O no hydrogen 3.145 N/A HIS 264.A N ASN 267.A O no hydrogen 2.938 N/A HIS 264.A NE2 PRO 210.A O no hydrogen 2.990 N/A GLY 266.A N GLU 263.A OE2.A no hydrogen 2.920 N/A ASN 267.A N HIS 264.A O no hydrogen 3.044 N/A HIS 268.A ND1 TYR 261.A OH no hydrogen 2.311 N/A GLY 269.A N MET 262.A O no hydrogen 2.867 N/A HIS 271.A N CYS 260.A O no hydrogen 2.892 N/A