Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dkg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 GLU 92.A OE1 no hydrogen 2.677 N/A ILE 4.A N GLU 92.A OE2 no hydrogen 2.934 N/A SER 7.A N ASP 5.A OD1 no hydrogen 3.174 N/A SER 7.A OG ASP 5.A OD1 no hydrogen 2.629 N/A SER 7.A OG ASP 5.A OD2 no hydrogen 3.109 N/A ALA 8.A N ASP 5.A O no hydrogen 3.314 N/A LEU 9.A N LEU 6.A O no hydrogen 3.004 N/A VAL 14.A N ASN 10.A O no hydrogen 3.068 N/A GLN 15.A N PRO 11.A O no hydrogen 3.051 N/A ALA 16.A N GLU 12.A O no hydrogen 2.962 N/A VAL 17.A N LEU 13.A O no hydrogen 2.968 N/A GLN 18.A N GLN 15.A O no hydrogen 3.325 N/A GLN 18.A NE2 VAL 14.A O no hydrogen 2.677 N/A VAL 20.A N VAL 17.A O no hydrogen 2.917 N/A VAL 21.A N VAL 17.A O no hydrogen 3.115 N/A VAL 21.A N GLN 18.A O no hydrogen 3.205 N/A ILE 22.A N ILE 87.A O no hydrogen 3.092 N/A SER 26.A N GLY 23.A O no hydrogen 2.818 N/A ILE 28.A N THR 41.A O no hydrogen 2.975 N/A HIS 30.A N HIS 39.A O no hydrogen 2.971 N/A HIS 30.A NE2 THR 41.A OG1 no hydrogen 2.789 N/A PHE 31.A N VAL 29.A O no hydrogen 3.014 N/A GLU 33.A N HIS 30.A O no hydrogen 2.818 N/A ILE 35.A N VAL 37.A O no hydrogen 2.730 N/A CYS 36.A SG TYR 38.A OH no hydrogen 3.226 N/A TYR 38.A N VAL 51.A O no hydrogen 2.847 N/A HIS 39.A N GLU 33.A O no hydrogen 3.057 N/A HIS 39.A ND1 HIS 48.A NE2 no hydrogen 2.938 N/A GLY 40.A N CYS 49.A O no hydrogen 2.831 N/A THR 41.A N ILE 28.A O no hydrogen 3.117 N/A THR 41.A OG1 HIS 30.A NE2 no hydrogen 2.789 N/A LEU 42.A N ILE 47.A O no hydrogen 2.759 N/A LEU 43.A N SER 26.A O no hydrogen 3.164 N/A ASP 44.A N LYS 45.A O no hydrogen 2.786 N/A ILE 47.A N LEU 42.A O no hydrogen 2.640 N/A HIS 48.A NE2 HIS 39.A ND1 no hydrogen 2.938 N/A CYS 49.A N GLY 40.A O no hydrogen 3.022 N/A ALA 50.A N LEU 99.A O no hydrogen 2.619 N/A VAL 51.A N TYR 38.A O no hydrogen 2.793 N/A LYS 52.A N VAL 97.A O no hydrogen 2.793 N/A SER 53.A N CYS 36.A O no hydrogen 2.867 N/A LEU 54.A N PRO 95.A O no hydrogen 3.209 N/A ARG 56.A NH1 VAL 2.A O no hydrogen 3.081 N/A ARG 56.A NH1 GLU 92.A O no hydrogen 2.695 N/A ARG 56.A NH2 VAL 2.A O no hydrogen 2.886 N/A ILE 57.A N GLY 93.A O no hydrogen 2.738 N/A GLY 61.A N ASP 59.A OD1 no hydrogen 2.826 N/A GLU 62.A N ASP 59.A OD1 no hydrogen 3.394 N/A VAL 63.A N ASP 59.A O no hydrogen 2.887 N/A SER 64.A N ILE 60.A O no hydrogen 2.912 N/A SER 64.A OG ILE 60.A O no hydrogen 2.656 N/A GLN 65.A N GLY 61.A O no hydrogen 3.025 N/A PHE 66.A N GLU 62.A O no hydrogen 2.946 N/A LEU 67.A N VAL 63.A O no hydrogen 3.028 N/A THR 68.A N SER 64.A O no hydrogen 3.031 N/A THR 68.A OG1 SER 64.A O no hydrogen 2.790 N/A GLU 69.A N GLN 65.A O no hydrogen 2.970 N/A GLY 70.A N PHE 66.A O no hydrogen 3.089 N/A ILE 71.A N LEU 67.A O no hydrogen 3.133 N/A ILE 72.A N THR 68.A O no hydrogen 3.187 N/A MET 73.A N GLU 69.A O no hydrogen 2.853 N/A LYS 74.A N GLY 70.A O no hydrogen 3.019 N/A LYS 74.A NZ LEU 84.A O no hydrogen 3.053 N/A LYS 74.A NZ LEU 85.A O no hydrogen 2.957 N/A ASP 75.A N ILE 72.A O no hydrogen 3.198 N/A PHE 76.A N MET 73.A O no hydrogen 3.022 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 2.926 N/A ASN 80.A ND2 GLN 129.A OE1 no hydrogen 3.241 N/A ASN 80.A ND2 VAL 160.A O no hydrogen 3.012 N/A VAL 81.A N HIS 78.A O no hydrogen 3.163 N/A LEU 82.A N VAL 162.A O no hydrogen 2.868 N/A LEU 85.A N VAL 98.A O no hydrogen 2.857 N/A GLY 86.A N VAL 98.A O no hydrogen 3.346 N/A ILE 87.A N VAL 20.A O no hydrogen 2.890 N/A CYS 88.A N LEU 96.A O no hydrogen 2.884 N/A CYS 88.A SG ILE 22.A O no hydrogen 3.582 N/A ARG 90.A N SER 94.A O no hydrogen 2.893 N/A GLY 93.A N ARG 90.A O no hydrogen 3.151 N/A LEU 96.A N CYS 88.A O no hydrogen 2.640 N/A VAL 97.A N LYS 52.A O no hydrogen 2.816 N/A VAL 98.A N GLY 86.A O no hydrogen 2.840 N/A LEU 99.A N ALA 50.A O no hydrogen 2.799 N/A TYR 101.A N HIS 48.A O no hydrogen 3.423 N/A HIS 104.A N LEU 154.A O no hydrogen 2.956 N/A GLY 105.A N MET 102.A O no hydrogen 3.065 N/A LEU 107.A N CYS 152.A O no hydrogen 2.728 N/A ARG 108.A N ALA 149.A O no hydrogen 3.281 N/A ASN 109.A N ASP 106.A OD2 no hydrogen 2.907 N/A ASN 109.A ND2 ASP 106.A OD1 no hydrogen 2.798 N/A PHE 110.A N ASP 106.A O no hydrogen 3.181 N/A ILE 111.A N LEU 107.A O no hydrogen 3.166 N/A ARG 112.A N ARG 108.A O no hydrogen 3.112 N/A ARG 112.A NH1 GLY 205.A O no hydrogen 3.200 N/A ASN 113.A N ASN 109.A O no hydrogen 3.126 N/A THR 115.A N ASN 113.A OD1 no hydrogen 2.814 N/A THR 115.A OG1 ASN 113.A OD1 no hydrogen 2.593 N/A HIS 116.A N ASN 113.A O no hydrogen 2.916 N/A HIS 116.A ND1 PHE 110.A O no hydrogen 2.686 N/A THR 119.A N ASP 122.A OD2 no hydrogen 3.085 N/A VAL 120.A N HIS 273.A O no hydrogen 2.823 N/A LYS 121.A NZ PHE 266.A O no hydrogen 2.914 N/A LYS 121.A NZ PHE 269.A O no hydrogen 2.864 N/A ASP 122.A N THR 119.A OG1 no hydrogen 3.058 N/A LEU 123.A N THR 119.A O no hydrogen 3.104 N/A ILE 124.A N VAL 120.A O no hydrogen 2.987 N/A GLY 125.A N LYS 121.A O no hydrogen 2.918 N/A PHE 126.A N ASP 122.A O no hydrogen 2.927 N/A GLY 127.A N LEU 123.A O no hydrogen 3.119 N/A LEU 128.A N ILE 124.A O no hydrogen 2.835 N/A GLN 129.A N GLY 125.A O no hydrogen 2.978 N/A GLN 129.A NE2 PHE 158.A O no hydrogen 3.536 N/A VAL 130.A N PHE 126.A O no hydrogen 3.095 N/A ALA 131.A N GLY 127.A O no hydrogen 2.925 N/A LYS 132.A N LEU 128.A O no hydrogen 3.021 N/A GLY 133.A N GLN 129.A O no hydrogen 2.947 N/A MET 134.A N VAL 130.A O no hydrogen 2.850 N/A LYS 135.A N ALA 131.A O no hydrogen 2.815 N/A PHE 136.A N LYS 132.A O no hydrogen 3.118 N/A LEU 137.A N GLY 133.A O no hydrogen 3.025 N/A ALA 138.A N MET 134.A O no hydrogen 2.809 N/A SER 139.A N LYS 135.A O no hydrogen 3.027 N/A SER 139.A OG PHE 136.A O no hydrogen 2.691 N/A LYS 140.A N PHE 136.A O no hydrogen 3.262 N/A LYS 140.A N LEU 137.A O no hydrogen 2.973 N/A LYS 140.A NZ SER 139.A OG no hydrogen 3.296 N/A LYS 141.A N ALA 138.A O no hydrogen 2.821 N/A PHE 142.A N LEU 137.A O no hydrogen 3.013 N/A HIS 144.A N ASP 190.A OD2 no hydrogen 2.727 N/A HIS 144.A NE2 ALA 163.A O no hydrogen 2.816 N/A ARG 145.A N ASP 190.A OD1 no hydrogen 3.004 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.139 N/A ALA 149.A N GLU 200.A OE2 no hydrogen 2.879 N/A ARG 150.A NH2 ASP 146.A OD1 no hydrogen 3.053 N/A ASN 151.A N ALA 148.A O no hydrogen 2.911 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.752 N/A CYS 152.A N ALA 149.A O no hydrogen 3.250 N/A CYS 152.A SG ALA 148.A O no hydrogen 3.742 N/A MET 153.A N LYS 161.A O no hydrogen 2.905 N/A LEU 154.A N GLY 105.A O no hydrogen 2.844 N/A ASP 155.A N THR 159.A O no hydrogen 3.125 N/A LYS 157.A N ASP 155.A OD1 no hydrogen 2.946 N/A PHE 158.A N ASP 155.A O no hydrogen 3.006 N/A THR 159.A N ASP 155.A OD1 no hydrogen 2.971 N/A VAL 160.A N GLN 129.A OE1 no hydrogen 2.831 N/A LYS 161.A N MET 153.A O no hydrogen 2.745 N/A LYS 161.A NZ PRO 79.A O no hydrogen 2.797 N/A VAL 162.A N ASN 80.A O no hydrogen 2.868 N/A ALA 163.A N ASN 151.A O no hydrogen 2.997 N/A ALA 168.A N PHE 165.A O no hydrogen 3.007 N/A ARG 169.A N GLY 166.A O no hydrogen 3.145 N/A ARG 169.A NH1 HIS 144.A O no hydrogen 3.106 N/A ARG 169.A NH2 HIS 144.A O no hydrogen 2.723 N/A VAL 172.A N LEU 170.A O no hydrogen 2.851 N/A LYS 173.A NZ TYR 209.A O no hydrogen 3.155 N/A LYS 173.A NZ VAL 212.A O no hydrogen 2.807 N/A TRP 174.A N PRO 171.A O no hydrogen 2.906 N/A TRP 174.A NE1 GLU 200.A OE2 no hydrogen 2.868 N/A MET 175.A N VAL 172.A O no hydrogen 3.196 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.805 N/A SER 179.A OG LYS 184.A O no hydrogen 2.746 N/A LEU 180.A N ALA 176.A O no hydrogen 3.016 N/A GLN 181.A N LEU 177.A O no hydrogen 3.179 N/A THR 182.A N GLU 178.A O no hydrogen 2.916 N/A THR 182.A OG1 GLU 178.A O no hydrogen 2.847 N/A GLN 183.A N SER 179.A O no hydrogen 2.730 N/A LYS 184.A N THR 182.A OG1 no hydrogen 3.190 N/A THR 186.A N SER 189.A OG no hydrogen 2.723 N/A LYS 188.A NZ ARG 252.A O no hydrogen 2.763 N/A SER 189.A N THR 186.A O no hydrogen 3.087 N/A SER 189.A N THR 186.A OG1 no hydrogen 3.149 N/A SER 189.A OG THR 186.A O no hydrogen 2.924 N/A ASP 190.A N THR 186.A O no hydrogen 3.027 N/A VAL 191.A N THR 187.A O no hydrogen 2.965 N/A TRP 192.A N LYS 188.A O no hydrogen 3.369 N/A SER 193.A N SER 189.A O no hydrogen 3.143 N/A SER 193.A OG TRP 174.A O no hydrogen 2.645 N/A SER 193.A OG SER 189.A O no hydrogen 3.349 N/A PHE 194.A N ASP 190.A O no hydrogen 2.802 N/A GLY 195.A N VAL 191.A O no hydrogen 2.974 N/A VAL 196.A N TRP 192.A O no hydrogen 3.206 N/A LEU 197.A N SER 193.A O no hydrogen 2.853 N/A LEU 198.A N PHE 194.A O no hydrogen 2.867 N/A TRP 199.A N GLY 195.A O no hydrogen 3.143 N/A TRP 199.A NE1 LEU 228.A O no hydrogen 2.798 N/A GLU 200.A N VAL 196.A O no hydrogen 2.861 N/A LEU 201.A N LEU 197.A O no hydrogen 2.917 N/A MET 202.A N LEU 198.A O no hydrogen 3.074 N/A THR 203.A N TRP 199.A O no hydrogen 3.002 N/A THR 203.A OG1 TRP 199.A O no hydrogen 3.053 N/A THR 203.A OG1 GLU 200.A O no hydrogen 3.127 N/A ARG 204.A N LEU 201.A O no hydrogen 2.951 N/A ARG 204.A NE ILE 111.A O no hydrogen 2.991 N/A ARG 204.A NH1 VAL 275.A O no hydrogen 3.014 N/A ARG 204.A NH2 ILE 111.A O no hydrogen 3.213 N/A ARG 204.A NH2 HIS 116.A O no hydrogen 2.825 N/A GLY 205.A N GLU 200.A O no hydrogen 2.764 N/A ALA 206.A N THR 203.A OG1 no hydrogen 3.131 N/A VAL 212.A N TYR 209.A O no hydrogen 2.978 N/A PHE 215.A N ASN 213.A OD1 no hydrogen 3.243 N/A ASP 216.A N ASN 213.A O no hydrogen 2.886 N/A TYR 220.A N ASP 216.A O no hydrogen 3.205 N/A LEU 221.A N ILE 217.A O no hydrogen 2.890 N/A LEU 222.A N THR 218.A O no hydrogen 2.910 N/A GLN 223.A N VAL 219.A O no hydrogen 3.149 N/A GLN 223.A N TYR 220.A O no hydrogen 3.113 N/A GLY 224.A N LEU 221.A O no hydrogen 2.892 N/A ARG 225.A N LEU 221.A O no hydrogen 3.233 N/A ARG 225.A NE GLN 223.A OE1 no hydrogen 2.834 N/A ARG 225.A NH2 GLN 223.A OE1 no hydrogen 3.329 N/A ARG 226.A NE TRP 245.A O no hydrogen 3.323 N/A ARG 226.A NH1 ARG 225.A O no hydrogen 2.956 N/A ARG 226.A NH2 TRP 245.A O no hydrogen 2.866 N/A GLN 229.A NE2 CYS 233.A O no hydrogen 2.810 N/A GLN 229.A NE2 ASP 235.A OD2 no hydrogen 3.056 N/A CYS 233.A N PRO 230.A O no hydrogen 3.088 N/A CYS 233.A SG PRO 234.A O no hydrogen 3.401 N/A TYR 238.A N PRO 234.A O no hydrogen 3.072 N/A TYR 238.A OH LEU 227.A O no hydrogen 2.583 N/A GLU 239.A N ASP 235.A O no hydrogen 2.911 N/A VAL 240.A N PRO 236.A O no hydrogen 3.029 N/A MET 241.A N LEU 237.A O no hydrogen 2.963 N/A LEU 242.A N TYR 238.A O no hydrogen 2.922 N/A LYS 243.A N GLU 239.A O no hydrogen 3.039 N/A CYS 244.A N VAL 240.A O no hydrogen 2.933 N/A CYS 244.A SG VAL 240.A O no hydrogen 3.456 N/A TRP 245.A N MET 241.A O no hydrogen 3.072 N/A TRP 245.A N LEU 242.A O no hydrogen 3.180 N/A HIS 246.A N LYS 243.A O no hydrogen 3.247 N/A LYS 248.A N HIS 246.A ND1 no hydrogen 2.912 N/A GLU 250.A N GLU 250.A OE1 no hydrogen 2.745 N/A MET 251.A N LYS 248.A O no hydrogen 2.924 N/A ARG 252.A N ALA 249.A O no hydrogen 3.112 N/A ARG 252.A NE HIS 246.A O no hydrogen 2.900 N/A ARG 252.A NH1 GLU 178.A OE2 no hydrogen 2.772 N/A ARG 252.A NH1 LYS 188.A O no hydrogen 2.810 N/A ARG 252.A NH2 GLU 178.A OE1 no hydrogen 2.786 N/A ARG 252.A NH2 GLU 178.A OE2 no hydrogen 3.479 N/A ARG 252.A NH2 HIS 246.A O no hydrogen 3.050 N/A GLU 257.A N SER 254.A OG no hydrogen 3.019 N/A LEU 258.A N SER 254.A O no hydrogen 2.942 N/A VAL 259.A N PHE 255.A O no hydrogen 2.833 N/A SER 260.A N SER 256.A O no hydrogen 3.233 N/A ARG 261.A N GLU 257.A O no hydrogen 2.869 N/A ARG 261.A NE GLU 257.A OE1 no hydrogen 2.755 N/A ARG 261.A NH2 GLU 257.A OE1 no hydrogen 3.277 N/A ILE 262.A N LEU 258.A O no hydrogen 2.852 N/A SER 263.A N VAL 259.A O no hydrogen 2.853 N/A SER 263.A OG.A VAL 259.A O no hydrogen 3.346 N/A SER 263.A OG.A SER 260.A O no hydrogen 2.765 N/A ALA 264.A N SER 260.A O no hydrogen 3.221 N/A ILE 265.A N ARG 261.A O no hydrogen 3.137 N/A PHE 266.A N ILE 262.A O no hydrogen 2.804 N/A SER 267.A N SER 263.A O no hydrogen 3.013 N/A SER 267.A OG ALA 264.A O no hydrogen 2.630 N/A THR 268.A N ILE 265.A O no hydrogen 3.102 N/A THR 268.A OG1 ILE 265.A O no hydrogen 2.901 N/A PHE 269.A N PHE 266.A O no hydrogen 3.211 N/A VAL 275.A N PRO 118.A O no hydrogen 2.966 N/A HIS 276.A ND1.B TYR 232.A OH no hydrogen 2.756 N/A THR 280.A N ASN 278.A OD1 no hydrogen 2.765 N/A THR 280.A OG1 ASN 278.A OD1 no hydrogen 2.725 N/A TYR 281.A N ASN 278.A O no hydrogen 2.991 N/A