Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N GLY 122.A O no hydrogen 3.470 N/A ILE 1.A N ASN 123.A O no hydrogen 2.921 N/A ILE 1.A N ASP 176.A OD1 no hydrogen 3.500 N/A ILE 1.A N ASP 176.A OD2 no hydrogen 2.680 N/A VAL 2.A N ASP 171.A O no hydrogen 2.820 N/A TYR 5.A N CYS 137.A O no hydrogen 2.883 N/A CYS 7.A N LEU 135.A O no hydrogen 3.037 N/A CYS 7.A SG LEU 135.A O no hydrogen 3.492 N/A ASN 10.A ND2 GLY 51.A O no hydrogen 3.183 N/A THR 11.A N GLY 8.A O no hydrogen 3.080 N/A THR 11.A OG1 CYS 7.A O no hydrogen 3.105 N/A THR 11.A OG1 GLY 8.A O no hydrogen 2.716 N/A GLN 15.A N VAL 12.A O no hydrogen 2.987 N/A GLN 15.A NE2 VAL 16.A O no hydrogen 3.077 N/A VAL 16.A N GLY 27.A O no hydrogen 2.903 N/A SER 17.A N ARG 49.A O no hydrogen 2.963 N/A SER 17.A OG HIS 23.A ND1 no hydrogen 2.709 N/A LEU 18.A N CYS 25.A O no hydrogen 2.943 N/A ASN 19.A N GLN 47.A O no hydrogen 2.888 N/A SER 20.A N TYR 22.A O no hydrogen 3.030 N/A GLY 21.A N ASN 19.A OD1 no hydrogen 2.809 N/A HIS 23.A ND1 SER 17.A OG no hydrogen 2.709 N/A HIS 23.A NE2 GLY 175.A O no hydrogen 2.918 N/A PHE 24.A N LEU 18.A O no hydrogen 3.063 N/A CYS 25.A SG PHE 24.A O no hydrogen 3.030 N/A GLY 26.A N SER 177.A O no hydrogen 2.792 N/A GLY 27.A N VAL 16.A O no hydrogen 3.175 N/A SER 28.A N VAL 36.A O no hydrogen 2.899 N/A LEU 29.A N TYR 14.A O no hydrogen 2.894 N/A ILE 30.A N TRP 34.A O no hydrogen 2.970 N/A GLN 33.A N ASN 31.A OD1 no hydrogen 2.785 N/A TRP 34.A N ASN 31.A O no hydrogen 3.487 N/A VAL 35.A N ILE 88.A O no hydrogen 2.888 N/A VAL 36.A N SER 28.A O no hydrogen 2.866 N/A SER 37.A N MET 86.A O no hydrogen 2.912 N/A SER 37.A OG GLY 26.A O no hydrogen 2.835 N/A ALA 38.A N SER 37.A OG no hydrogen 2.810 N/A HIS 40.A N ASP 84.A OD1 no hydrogen 2.838 N/A HIS 40.A ND1 ASP 84.A OD2 no hydrogen 2.759 N/A CYS 41.A N ALA 38.A O no hydrogen 2.960 N/A CYS 41.A SG SER 177.A O no hydrogen 3.573 N/A TYR 42.A N ALA 39.A O no hydrogen 2.982 N/A LYS 43.A NZ SER 20.A OG no hydrogen 2.881 N/A GLN 47.A N ASN 19.A O no hydrogen 2.844 N/A VAL 48.A N ILE 65.A O no hydrogen 2.788 N/A ARG 49.A N SER 17.A O no hydrogen 2.836 N/A ARG 49.A NE GLN 47.A OE1 no hydrogen 2.786 N/A ARG 49.A NH2 GLN 47.A OE1 no hydrogen 2.871 N/A LEU 50.A N GLN 63.A O no hydrogen 2.855 N/A ASN 54.A N GLU 59.A OE1 no hydrogen 3.027 N/A ILE 55.A N ASP 133.A O no hydrogen 2.945 N/A ASN 56.A N ASN 54.A OD1 no hydrogen 2.798 N/A ASN 56.A ND2 ASP 133.A OD1 no hydrogen 2.697 N/A VAL 57.A N ASN 54.A O no hydrogen 3.503 N/A GLU 59.A N GLU 62.A OE2 no hydrogen 2.763 N/A GLY 60.A N GLU 62.A OE1 no hydrogen 2.880 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.806 N/A GLN 63.A N LEU 50.A O no hydrogen 3.010 N/A GLN 63.A NE2 SER 95.A O no hydrogen 2.868 N/A ILE 65.A N VAL 48.A O no hydrogen 2.938 N/A ALA 67.A N ILE 46.A O no hydrogen 2.988 N/A SER 68.A N LYS 89.A O no hydrogen 2.846 N/A SER 68.A OG LYS 89.A O no hydrogen 3.236 N/A LYS 69.A NZ ASN 223.A OD1 no hydrogen 2.830 N/A ILE 71.A N LEU 87.A O no hydrogen 2.748 N/A HIS 73.A N ILE 85.A O no hydrogen 3.088 N/A SER 75.A N HIS 73.A ND1 no hydrogen 2.980 N/A TYR 76.A N HIS 73.A O no hydrogen 3.020 N/A ASN 77.A N ASN 82.A O no hydrogen 3.032 N/A ASN 79.A N ASN 77.A OD1 no hydrogen 2.721 N/A THR 80.A N ASN 77.A OD1 no hydrogen 3.102 N/A LEU 81.A N ASN 77.A O no hydrogen 2.781 N/A ASN 82.A N THR 80.A OG1 no hydrogen 3.155 N/A ASN 83.A ND2 SER 75.A O no hydrogen 2.869 N/A ILE 85.A N ASN 83.A O no hydrogen 2.946 N/A MET 86.A N SER 37.A O no hydrogen 2.919 N/A LEU 87.A N ILE 71.A O no hydrogen 2.872 N/A ILE 88.A N VAL 35.A O no hydrogen 2.852 N/A LYS 89.A N LYS 69.A O no hydrogen 2.936 N/A LYS 89.A NZ ASN 223.A O no hydrogen 2.634 N/A LYS 89.A NZ ASN 223.A OXT no hydrogen 3.536 N/A LEU 90.A N GLN 33.A O no hydrogen 2.854 N/A LYS 91.A N SER 66.A O no hydrogen 2.821 N/A ALA 94.A N SER 32.A O no hydrogen 2.857 N/A SER 95.A N GLN 63.A OE1 no hydrogen 2.820 N/A ASN 97.A N VAL 100.A O no hydrogen 2.825 N/A ARG 99.A N ASN 97.A OD1 no hydrogen 2.822 N/A VAL 100.A N ASN 97.A OD1 no hydrogen 2.882 N/A ALA 101.A N PRO 13.A O no hydrogen 3.115 N/A ILE 103.A N LEU 29.A O no hydrogen 2.872 N/A CYS 109.A SG ASN 211.A OD1 no hydrogen 4.041 N/A GLY 113.A N ILE 142.A O no hydrogen 2.875 N/A THR 114.A N SER 111.A O no hydrogen 3.004 N/A THR 114.A OG1 SER 111.A O no hydrogen 2.875 N/A CYS 116.A N ALA 140.A O no hydrogen 2.806 N/A CYS 116.A SG THR 114.A O no hydrogen 3.795 N/A LEU 117.A N VAL 182.A O no hydrogen 2.776 N/A ILE 118.A N LEU 138.A O no hydrogen 2.895 N/A SER 119.A OG GLN 15.A OE1 no hydrogen 2.651 N/A GLY 120.A N LYS 136.A O no hydrogen 2.953 N/A TRP 121.A NE1 ASP 53.A O no hydrogen 2.868 N/A GLY 122.A N ASP 176.A OD1 no hydrogen 2.776 N/A ASN 123.A N GLN 174.A O no hydrogen 2.985 N/A ASN 123.A ND2 GLY 128.A O no hydrogen 3.112 N/A THR 124.A N SER 130.A O no hydrogen 2.852 N/A THR 124.A OG1 SER 130.A O no hydrogen 3.155 N/A LYS 125.A N ASN 123.A OD1 no hydrogen 3.004 N/A SER 130.A N ASN 123.A OD1 no hydrogen 2.938 N/A LEU 135.A N ASP 53.A OD1 no hydrogen 3.423 N/A LYS 136.A N GLY 120.A O no hydrogen 3.147 N/A LYS 136.A NZ THR 6.A OG1 no hydrogen 2.788 N/A CYS 137.A N TYR 5.A O no hydrogen 2.766 N/A LEU 138.A N ILE 118.A O no hydrogen 2.806 N/A ALA 140.A N CYS 116.A O no hydrogen 2.971 N/A ILE 142.A N THR 114.A O no hydrogen 2.995 N/A LEU 143.A N CYS 162.A O no hydrogen 2.844 N/A SER 144.A OG SER 147.A OG no hydrogen 2.910 N/A SER 147.A N SER 144.A OG no hydrogen 3.004 N/A SER 147.A OG SER 144.A O no hydrogen 2.634 N/A SER 147.A OG SER 144.A OG no hydrogen 2.910 N/A CYS 148.A N SER 144.A O no hydrogen 2.926 N/A LYS 149.A N ASP 145.A O no hydrogen 2.882 N/A SER 150.A N SER 146.A O no hydrogen 2.958 N/A SER 150.A OG SER 146.A O no hydrogen 2.837 N/A ALA 151.A N SER 147.A O no hydrogen 2.989 N/A TYR 152.A N CYS 148.A O no hydrogen 3.136 N/A TYR 152.A OH PRO 203.A O no hydrogen 2.720 N/A GLN 155.A N TYR 152.A O no hydrogen 3.069 N/A THR 157.A OG1 ASN 82.A OD1 no hydrogen 2.740 N/A ASN 159.A N THR 157.A OG1 no hydrogen 3.097 N/A ASN 159.A ND2 ASN 82.A OD1 no hydrogen 3.110 N/A MET 160.A N THR 157.A O no hydrogen 3.121 N/A PHE 161.A N TYR 206.A O no hydrogen 2.954 N/A ALA 163.A N GLY 204.A O no hydrogen 3.050 N/A GLY 164.A N PRO 141.A O no hydrogen 3.051 N/A TYR 165.A OH LYS 139.A O no hydrogen 2.646 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.853 N/A GLY 168.A N TYR 165.A O no hydrogen 3.051 N/A GLY 169.A N ALA 198.A O no hydrogen 2.912 N/A ASP 171.A N VAL 2.A O no hydrogen 3.044 N/A SER 172.A N ASP 171.A OD1 no hydrogen 2.778 N/A SER 172.A OG TYR 206.A OH no hydrogen 2.752 N/A CYS 173.A N ASP 176.A OD2 no hydrogen 2.889 N/A CYS 173.A SG GLN 174.A OE1 no hydrogen 3.750 N/A GLN 174.A N GLN 174.A OE1 no hydrogen 3.032 N/A ASP 176.A N CYS 173.A O no hydrogen 2.927 N/A GLY 178.A N VAL 191.A O no hydrogen 2.895 N/A GLY 179.A N ASP 176.A O no hydrogen 2.909 N/A VAL 181.A N GLY 189.A O no hydrogen 2.911 N/A VAL 182.A N LEU 117.A O no hydrogen 2.912 N/A CYS 183.A N LYS 186.A O no hydrogen 2.986 N/A LYS 186.A N CYS 183.A O no hydrogen 3.015 N/A LEU 187.A N SER 104.A O no hydrogen 2.867 N/A GLN 188.A N VAL 181.A O no hydrogen 2.858 N/A GLN 188.A NE2 SER 108.A O no hydrogen 2.889 N/A GLY 189.A N VAL 181.A O no hydrogen 2.946 N/A ILE 190.A N THR 207.A O no hydrogen 3.274 N/A VAL 191.A N GLY 179.A O no hydrogen 2.953 N/A SER 192.A N VAL 205.A O no hydrogen 3.334 N/A SER 192.A OG ASP 84.A OD2 no hydrogen 2.655 N/A TRP 193.A N VAL 205.A O no hydrogen 3.022 N/A SER 195.A N TYR 152.A OH no hydrogen 3.085 N/A CYS 197.A SG SER 172.A O no hydrogen 3.849 N/A CYS 197.A SG GLN 174.A OE1 no hydrogen 3.589 N/A ALA 198.A N ASP 171.A OD2 no hydrogen 2.963 N/A ASN 201.A N LEU 166.A O no hydrogen 2.791 N/A LYS 202.A N GLN 199.A O no hydrogen 3.122 N/A LYS 202.A NZ ALA 151.A O no hydrogen 2.749 N/A VAL 205.A N TRP 193.A O no hydrogen 2.879 N/A TYR 206.A N PHE 161.A O no hydrogen 2.764 N/A TYR 206.A OH SER 172.A OG no hydrogen 2.752 N/A THR 207.A N ILE 190.A O no hydrogen 3.028 N/A THR 207.A OG1 ASP 84.A O no hydrogen 2.778 N/A LYS 208.A N ASN 159.A O no hydrogen 2.896 N/A VAL 209.A N GLN 188.A O no hydrogen 3.074 N/A CYS 210.A SG ASN 211.A OD1 no hydrogen 3.693 N/A ASN 211.A N LYS 208.A O no hydrogen 2.999 N/A ASN 211.A ND2 SER 158.A O no hydrogen 2.960 N/A ASN 211.A ND2 ASN 159.A OD1 no hydrogen 2.869 N/A TYR 212.A N VAL 209.A O no hydrogen 2.812 N/A TYR 212.A OH ASN 83.A OD1 no hydrogen 2.637 N/A ILE 216.A N TYR 212.A O no hydrogen 2.842 N/A LYS 217.A N VAL 213.A O no hydrogen 2.835 N/A GLN 218.A N SER 214.A O no hydrogen 2.955 N/A THR 219.A N TRP 215.A O no hydrogen 2.886 N/A THR 219.A OG1 TRP 215.A O no hydrogen 2.702 N/A ILE 220.A N ILE 216.A O no hydrogen 2.951 N/A ALA 221.A N LYS 217.A O no hydrogen 3.084 N/A SER 222.A N THR 219.A O no hydrogen 3.149 N/A ASN 223.A ND2 THR 219.A O no hydrogen 2.831 N/A