Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ree_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A N GLU 50.A O no hydrogen 3.087 N/A ASN 4.A ND2 GLU 50.A OE1 no hydrogen 3.557 N/A ARG 6.A N ILE 48.A O no hydrogen 3.228 N/A ARG 6.A NE GLU 50.A OE1 no hydrogen 3.173 N/A ARG 6.A NH1 HIS 7.A O no hydrogen 3.156 N/A ARG 6.A NH1 ASP 12.A OD2 no hydrogen 2.804 N/A ARG 6.A NH2 ASP 12.A OD1 no hydrogen 2.787 N/A ARG 6.A NH2 ASP 12.A OD2 no hydrogen 3.456 N/A ARG 6.A NH2 GLU 50.A OE2 no hydrogen 3.038 N/A HIS 7.A ND1 GLN 46.A O no hydrogen 2.873 N/A LYS 9.A N ASP 12.A OD2 no hydrogen 2.712 N/A ASP 12.A N LYS 9.A O no hydrogen 2.854 N/A LEU 13.A N ILE 10.A O.A no hydrogen 2.933 N/A LEU 13.A N ILE 10.A O.B no hydrogen 3.245 N/A LEU 16.A N ASP 12.A O no hydrogen 2.980 N/A ILE 17.A N LEU 13.A O no hydrogen 3.059 N/A ALA 18.A N ARG 14.A O no hydrogen 3.024 N/A LEU 19.A N ASP 15.A O no hydrogen 2.848 N/A GLU 20.A N LEU 16.A O no hydrogen 2.974 N/A THR 21.A N ILE 17.A O no hydrogen 3.010 N/A THR 21.A OG1 ILE 17.A O no hydrogen 3.229 N/A LEU 22.A N ALA 18.A O no hydrogen 3.016 N/A CYS 23.A N LEU 19.A O no hydrogen 2.926 N/A CYS 23.A SG LEU 19.A O no hydrogen 3.292 N/A CYS 23.A SG ILE 96.A O no hydrogen 3.378 N/A TRP 24.A N GLU 20.A O no hydrogen 3.129 N/A TRP 24.A NE1 ASN 95.A OD1 no hydrogen 2.867 N/A LEU 28.A N SER 25.A O no hydrogen 2.892 N/A GLN 29.A N SER 25.A O no hydrogen 3.042 N/A GLN 29.A NE2 TRP 24.A O no hydrogen 3.011 N/A VAL 30.A N GLU 20.A OE2 no hydrogen 2.996 N/A GLU 34.A N ASP 31.A O no hydrogen 3.101 N/A GLU 34.A N ASP 31.A OD1 no hydrogen 2.992 N/A ILE 35.A N ASP 31.A O no hydrogen 3.255 N/A TYR 36.A N ASN 32.A O no hydrogen 3.011 N/A ARG 37.A N GLU 33.A O no hydrogen 2.889 N/A ARG 37.A NE GLU 34.A OE1 no hydrogen 2.811 N/A ARG 37.A NH1 GLN 62.A OE1 no hydrogen 3.211 N/A ARG 37.A NH2 GLU 34.A OE1 no hydrogen 3.560 N/A ARG 37.A NH2 GLU 34.A OE2 no hydrogen 2.822 N/A ARG 37.A NH2 GLN 62.A OE1 no hydrogen 2.852 N/A ARG 38.A N GLU 34.A O no hydrogen 3.061 N/A ARG 38.A NE GLU 34.A OE2 no hydrogen 2.821 N/A ILE 39.A N ILE 35.A O no hydrogen 3.182 N/A PHE 40.A N TYR 36.A O no hydrogen 2.808 N/A LYS 41.A N ARG 37.A O no hydrogen 2.846 N/A ILE 42.A N ARG 38.A O no hydrogen 3.132 N/A GLY 45.A N ILE 42.A O no hydrogen 2.993 N/A GLN 46.A N PRO 43.A O no hydrogen 3.313 N/A GLN 46.A NE2 ILE 42.A O no hydrogen 2.765 N/A GLN 46.A NE2 SER 61.A O no hydrogen 2.918 N/A PHE 47.A N ILE 59.A O no hydrogen 2.934 N/A ILE 48.A N ARG 6.A O no hydrogen 2.776 N/A LEU 49.A N GLY 57.A O no hydrogen 2.754 N/A GLU 50.A N ASN 4.A O no hydrogen 2.937 N/A LEU 51.A N LYS 54.A O no hydrogen 2.641 N/A LYS 54.A N LEU 51.A O no hydrogen 3.238 N/A LYS 54.A NZ GLU 99.A OE2 no hydrogen 3.350 N/A VAL 56.A N LEU 49.A O no hydrogen 2.801 N/A GLY 57.A N LEU 49.A O no hydrogen 3.253 N/A ALA 58.A N ASN 95.A O no hydrogen 2.876 N/A ILE 59.A N PHE 47.A O no hydrogen 2.900 N/A TYR 60.A N ALA 93.A O no hydrogen 3.008 N/A SER 61.A N GLN 46.A OE1 no hydrogen 2.884 N/A SER 61.A OG GLY 45.A O no hydrogen 2.648 N/A GLN 62.A N GLN 90.A O no hydrogen 2.953 N/A GLN 62.A NE2 VAL 78.A O no hydrogen 2.926 N/A GLN 62.A NE2 GLN 90.A OE1 no hydrogen 3.001 N/A ARG 63.A N HIS 82.A ND1 no hydrogen 3.487 N/A ARG 63.A NE GLY 86.A O no hydrogen 2.829 N/A ARG 63.A NH2 GLY 86.A O no hydrogen 3.204 N/A ARG 63.A NH2 SER 121.A O no hydrogen 3.520 N/A ILE 64.A N VAL 88.A O no hydrogen 2.840 N/A LEU 69.A N ASN 66.A O no hydrogen 3.362 N/A LEU 69.A N ASN 66.A OD1 no hydrogen 3.174 N/A LEU 70.A N PRO 67.A O no hydrogen 2.952 N/A ASP 71.A N GLN 68.A O no hydrogen 3.055 N/A LYS 73.A N LEU 70.A O no hydrogen 3.243 N/A LYS 73.A NZ LEU 69.A O no hydrogen 2.704 N/A THR 74.A N GLN 77.A OE1 no hydrogen 2.944 N/A THR 74.A OG1 THR 76.A OG1 no hydrogen 3.266 N/A CYS 75.A N TYR 178.A O no hydrogen 2.780 N/A CYS 75.A SG TYR 178.A O no hydrogen 3.417 N/A THR 76.A OG1 THR 74.A OG1 no hydrogen 3.266 N/A GLN 77.A N THR 74.A O no hydrogen 2.925 N/A LEU 80.A N GLN 77.A O no hydrogen 2.917 N/A LEU 81.A N VAL 78.A O no hydrogen 2.914 N/A HIS 82.A N PRO 79.A O no hydrogen 3.208 N/A THR 83.A N ARG 63.A O no hydrogen 2.803 N/A THR 83.A OG1.A ASP 65.A OD1 no hydrogen 3.426 N/A SER 85.A N THR 83.A OG1.B no hydrogen 3.326 N/A GLY 86.A N THR 83.A O no hydrogen 3.010 N/A VAL 88.A N ILE 64.A O no hydrogen 3.072 N/A VAL 89.A N LYS 125.A O.A no hydrogen 2.915 N/A VAL 89.A N LYS 125.A O.B no hydrogen 2.942 N/A GLN 90.A N GLN 62.A O no hydrogen 2.702 N/A LEU 91.A N VAL 127.A O no hydrogen 2.833 N/A LEU 92.A N TYR 60.A O no hydrogen 2.760 N/A ASN 95.A N ALA 58.A O no hydrogen 2.742 N/A ASN 95.A ND2 GLU 20.A OE1 no hydrogen 2.953 N/A LEU 97.A N VAL 56.A O no hydrogen 2.857 N/A LEU 100.A N LEU 97.A O no hydrogen 2.761 N/A GLN 101.A N PRO 98.A O no hydrogen 3.324 N/A GLN 101.A NE2 ILE 96.A O no hydrogen 3.109 N/A ARG 108.A N GLY 104.A O no hydrogen 3.085 N/A LEU 109.A N LEU 105.A O no hydrogen 2.904 N/A LEU 110.A N GLY 106.A O no hydrogen 2.858 N/A GLU 111.A N ASP 107.A O no hydrogen 2.949 N/A PHE 112.A N ARG 108.A O no hydrogen 2.964 N/A MET 113.A N LEU 109.A O no hydrogen 2.985 N/A LEU 114.A N LEU 110.A O no hydrogen 2.870 N/A GLN 115.A N GLU 111.A O no hydrogen 2.912 N/A TYR 116.A N PHE 112.A O no hydrogen 2.808 N/A TYR 116.A OH GLN 44.A O no hydrogen 2.776 N/A CYS 117.A N MET 113.A O no hydrogen 2.800 N/A CYS 117.A SG MET 113.A O no hydrogen 3.296 N/A ALA 118.A N LEU 114.A O no hydrogen 3.095 N/A GLN 119.A N TYR 116.A O no hydrogen 3.229 N/A ILE 120.A N CYS 117.A O no hydrogen 3.259 N/A VAL 123.A N ILE 120.A O no hydrogen 3.323 N/A GLU 124.A N VAL 87.A O no hydrogen 2.680 N/A VAL 126.A N TYR 194.A O no hydrogen 3.467 N/A VAL 127.A N VAL 89.A O no hydrogen 2.913 N/A ALA 128.A N VAL 192.A O no hydrogen 2.946 N/A THR 130.A N VAL 190.A O no hydrogen 2.818 N/A LEU 131.A N THR 130.A OG1 no hydrogen 2.786 N/A ARG 133.A N ASP 158.A OD1 no hydrogen 2.914 N/A ARG 133.A N ASP 158.A OD2 no hydrogen 3.165 N/A ASN 134.A N ASP 158.A OD1 no hydrogen 2.938 N/A TYR 135.A OH MET 141.A O no hydrogen 2.478 N/A ASP 137.A N ASN 134.A O no hydrogen 3.028 N/A TYR 138.A N TYR 135.A O no hydrogen 2.814 N/A SER 139.A N TYR 135.A O no hydrogen 2.896 N/A MET 141.A N TYR 138.A O no hydrogen 2.890 N/A GLU 145.A N PRO 142.A O no hydrogen 2.999 N/A TYR 146.A N PRO 142.A O no hydrogen 2.998 N/A TYR 146.A OH ASP 158.A OD1 no hydrogen 2.721 N/A ILE 147.A N MET 143.A O no hydrogen 3.077 N/A HIS 148.A N GLU 145.A O no hydrogen 3.093 N/A GLN 149.A N TYR 146.A O no hydrogen 3.052 N/A LYS 150.A NZ.A HIS 148.A O no hydrogen 3.015 N/A LYS 150.A NZ.B HIS 148.A O no hydrogen 2.754 N/A ASN 151.A N.A LEU 155.A O no hydrogen 3.099 N/A ASN 151.A N.B LEU 155.A O no hydrogen 2.580 N/A SER 153.A N.A ASN 151.A OD1.A no hydrogen 2.801 N/A SER 153.A OG.A ASN 151.A OD1.A no hydrogen 2.928 N/A GLY 154.A N.A ASN 151.A O.A no hydrogen 3.055 N/A GLY 154.A N.A ASN 151.A O.B no hydrogen 2.686 N/A GLY 154.A N.A ASN 151.A OD1.A no hydrogen 2.774 N/A GLY 154.A N.B ASN 151.A O.B no hydrogen 3.013 N/A GLY 154.A N.B ASN 151.A OD1.A no hydrogen 2.668 N/A LEU 156.A N GLN 165.A OE1 no hydrogen 2.767 N/A VAL 157.A N GLN 149.A O no hydrogen 2.860 N/A LEU 160.A N ASP 158.A OD2 no hydrogen 3.095 N/A LEU 161.A N ASP 158.A OD2 no hydrogen 3.311 N/A ARG 162.A N ASP 158.A O no hydrogen 2.820 N/A ARG 162.A NE.A LEU 156.A O no hydrogen 2.742 N/A ARG 162.A NH1.B LEU 156.A O no hydrogen 3.315 N/A ARG 162.A NH1.B VAL 157.A O no hydrogen 3.362 N/A ARG 162.A NH2.A LEU 156.A O no hydrogen 2.756 N/A PHE 163.A N PRO 159.A O no hydrogen 3.124 N/A HIS 164.A ND1 TYR 194.A OH no hydrogen 2.696 N/A GLN 165.A N LEU 161.A O no hydrogen 2.884 N/A GLN 165.A NE2 GLY 154.A O.A no hydrogen 3.112 N/A GLN 165.A NE2 GLY 154.A O.B no hydrogen 3.351 N/A ILE 166.A N ARG 162.A O no hydrogen 2.871 N/A HIS 167.A N HIS 164.A O no hydrogen 2.972 N/A HIS 167.A ND1 GLU 111.A OE2 no hydrogen 2.883 N/A HIS 167.A NE2 ASP 107.A OD1 no hydrogen 2.677 N/A GLY 168.A N GLN 165.A O no hydrogen 2.832 N/A ALA 169.A N HIS 164.A O no hydrogen 3.012 N/A LYS 170.A N SER 193.A O no hydrogen 2.817 N/A LYS 170.A NZ GLU 172.A OE1 no hydrogen 2.951 N/A GLU 172.A N LEU 191.A O no hydrogen 2.800 N/A LYS 173.A N LEU 191.A O no hydrogen 3.442 N/A LYS 173.A NZ ASP 71.A OD1 no hydrogen 2.801 N/A LYS 173.A NZ ASP 71.A OD2 no hydrogen 3.543 N/A LEU 175.A N GLY 189.A O no hydrogen 2.877 N/A GLY 177.A N THR 187.A OG1 no hydrogen 2.843 N/A TYR 178.A N LEU 175.A O no hydrogen 3.296 N/A ARG 179.A N THR 187.A O no hydrogen 2.935 N/A ARG 179.A NH1 THR 130.A O no hydrogen 3.053 N/A ARG 179.A NH2 VAL 129.A O no hydrogen 2.851 N/A ASP 182.A N ARG 179.A O no hydrogen 2.875 N/A TRP 183.A N LYS 181.A O no hydrogen 3.082 N/A ASN 185.A N ASP 182.A O no hydrogen 3.201 N/A ASN 185.A ND2 CYS 132.A O no hydrogen 3.027 N/A ASN 185.A ND2 ASP 182.A OD1 no hydrogen 3.518 N/A ASN 185.A ND2 ASP 182.A OD2 no hydrogen 2.838 N/A GLN 186.A N TRP 183.A O no hydrogen 2.976 N/A THR 187.A N ASP 182.A O no hydrogen 2.850 N/A THR 187.A OG1 GLN 186.A O no hydrogen 2.599 N/A CYS 188.A N ASN 185.A O no hydrogen 2.960 N/A CYS 188.A SG.B GLY 189.A O no hydrogen 3.444 N/A GLY 189.A N LEU 175.A O no hydrogen 2.923 N/A VAL 190.A N THR 130.A O no hydrogen 2.951 N/A LEU 191.A N LYS 173.A O no hydrogen 2.894 N/A VAL 192.A N ALA 128.A O no hydrogen 2.917 N/A SER 193.A N LYS 170.A O no hydrogen 2.932 N/A SER 193.A OG GLU 172.A OE2 no hydrogen 2.496 N/A TYR 194.A N VAL 126.A O no hydrogen 2.742 N/A TYR 194.A OH HIS 164.A ND1 no hydrogen 2.696 N/A GLN 197.A N ASP 195.A OD2 no hydrogen 2.956 N/A ARG 199.A N ILE 196.A O no hydrogen 2.954 N/A ARG 199.A NH1 GLU 111.A OE1 no hydrogen 3.391 N/A ARG 199.A NH1 GLN 115.A OE1 no hydrogen 3.453 N/A ARG 199.A NH2 GLU 111.A OE1 no hydrogen 3.166 N/A