Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xfg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A N HIS 71.A NE2 no hydrogen 3.382 N/A CYS 1.A N THR 72.A O no hydrogen 2.802 N/A CYS 1.A N ASN 98.A OD1 no hydrogen 2.795 N/A CYS 1.A SG GLY 27.A O no hydrogen 3.732 N/A GLY 2.A N THR 72.A O no hydrogen 3.058 N/A ILE 3.A N SER 191.A OG no hydrogen 3.032 N/A VAL 4.A N ALA 70.A O no hydrogen 3.055 N/A GLY 5.A N ILE 189.A O no hydrogen 2.674 N/A ALA 6.A N GLY 68.A O no hydrogen 2.982 N/A ILE 7.A N ASN 187.A O no hydrogen 2.949 N/A ALA 8.A N GLY 66.A O no hydrogen 2.711 N/A ARG 10.A NE GLU 186.A OE1 no hydrogen 2.845 N/A ARG 10.A NH2 GLU 186.A OE2 no hydrogen 2.703 N/A VAL 12.A N GLY 65.A O no hydrogen 3.027 N/A LEU 16.A N VAL 12.A O no hydrogen 2.855 N/A LEU 17.A N ALA 13.A O no hydrogen 2.947 N/A GLU 18.A N GLU 14.A O no hydrogen 2.978 N/A GLY 19.A N ILE 15.A O no hydrogen 2.923 N/A LEU 20.A N LEU 16.A O no hydrogen 2.822 N/A ARG 21.A N LEU 17.A O no hydrogen 2.950 N/A ARG 21.A NH1 GLU 18.A OE1 no hydrogen 2.898 N/A ARG 22.A N GLU 18.A O no hydrogen 3.018 N/A ARG 22.A NE GLU 18.A OE2 no hydrogen 3.163 N/A ARG 22.A NH1 LEU 194.A O no hydrogen 3.181 N/A LEU 23.A N LEU 20.A O no hydrogen 2.751 N/A GLU 24.A N ARG 21.A O no hydrogen 3.354 N/A TYR 25.A OH ASP 192.A OD2 no hydrogen 2.968 N/A ARG 26.A N LEU 23.A O no hydrogen 3.279 N/A ARG 26.A NH2 ASP 192.A OD2 no hydrogen 2.585 N/A GLY 27.A N GLU 24.A O no hydrogen 2.799 N/A TYR 28.A OH GLU 24.A OE1 no hydrogen 2.414 N/A ASP 29.A N ARG 73.A O no hydrogen 2.791 N/A SER 30.A OG ASP 29.A OD1 no hydrogen 2.578 N/A ALA 31.A N ARG 47.A O no hydrogen 3.070 N/A GLY 32.A N HIS 71.A O no hydrogen 2.924 N/A LEU 33.A N LEU 45.A O no hydrogen 2.830 N/A ALA 34.A N ILE 69.A O no hydrogen 2.962 N/A VAL 35.A N THR 43.A O no hydrogen 2.935 N/A VAL 36.A N THR 67.A O no hydrogen 2.786 N/A ASP 37.A N HIS 41.A O no hydrogen 3.033 N/A GLU 39.A N ASP 37.A OD1 no hydrogen 3.013 N/A GLY 40.A N ASP 37.A O no hydrogen 2.977 N/A HIS 41.A N ASP 37.A OD1 no hydrogen 2.972 N/A HIS 41.A ND1 ASP 37.A OD2 no hydrogen 2.831 N/A THR 43.A N VAL 35.A O no hydrogen 2.765 N/A ARG 44.A NH1 PRO 87.A O no hydrogen 2.819 N/A LEU 45.A N LEU 33.A O no hydrogen 2.870 N/A ARG 46.A NH1 VAL 83.A O no hydrogen 2.967 N/A ARG 46.A NH1 ALA 85.A O no hydrogen 2.868 N/A ARG 47.A N ALA 31.A O no hydrogen 2.923 N/A ARG 47.A NH1 ARG 46.A O no hydrogen 2.847 N/A GLY 49.A N ASP 29.A O no hydrogen 2.982 N/A VAL 51.A N TYR 28.A OH no hydrogen 2.831 N/A GLN 52.A NE2 GLN 56.A OE1 no hydrogen 2.709 N/A LEU 54.A N LYS 50.A O no hydrogen 3.194 N/A ALA 55.A N VAL 51.A O no hydrogen 2.744 N/A GLN 56.A N GLN 52.A O no hydrogen 2.830 N/A ALA 57.A N MET 53.A O no hydrogen 3.081 N/A ALA 58.A N LEU 54.A O no hydrogen 2.826 N/A GLU 59.A N ALA 55.A O no hydrogen 3.199 N/A GLU 59.A N GLN 56.A O no hydrogen 3.140 N/A GLU 60.A N ALA 57.A O no hydrogen 3.211 N/A HIS 61.A N ALA 58.A O no hydrogen 3.089 N/A HIS 61.A ND1 ALA 57.A O no hydrogen 3.173 N/A HIS 64.A ND1 ASP 11.A OD2 no hydrogen 2.925 N/A GLY 65.A N ASP 11.A OD1 no hydrogen 2.864 N/A THR 67.A N VAL 36.A O no hydrogen 3.403 N/A THR 67.A OG1 PRO 166.A O no hydrogen 2.605 N/A GLY 68.A N ALA 6.A O no hydrogen 3.027 N/A ILE 69.A N ALA 34.A O no hydrogen 2.935 N/A ALA 70.A N VAL 4.A O no hydrogen 2.762 N/A HIS 71.A N GLY 32.A O no hydrogen 2.938 N/A THR 72.A N GLY 2.A O no hydrogen 2.906 N/A ARG 73.A N SER 30.A O no hydrogen 2.858 N/A ARG 73.A NH1 GLY 78.A O no hydrogen 3.452 N/A ARG 73.A NH1 GLU 79.A O no hydrogen 3.360 N/A ARG 73.A NH2 GLY 78.A O no hydrogen 2.970 N/A ALA 75.A N ASP 29.A OD2 no hydrogen 2.713 N/A THR 76.A OG1 HIS 77.A ND1 no hydrogen 2.641 N/A HIS 77.A ND1 THR 76.A OG1 no hydrogen 2.641 N/A ASN 84.A N SER 81.A O no hydrogen 3.197 N/A ASN 84.A N SER 81.A OG no hydrogen 3.182 N/A ASN 84.A ND2 GLU 79.A O no hydrogen 2.889 N/A ASN 84.A ND2 GLU 121.A OE1 no hydrogen 2.886 N/A ALA 85.A N SER 81.A O no hydrogen 3.103 N/A ALA 85.A N GLU 82.A O no hydrogen 3.237 N/A HIS 88.A N VAL 95.A O no hydrogen 2.872 N/A HIS 88.A NE2 ASN 84.A O no hydrogen 2.878 N/A SER 90.A N ILE 93.A O no hydrogen 2.797 N/A SER 90.A OG HIS 129.A ND1 no hydrogen 2.453 N/A ILE 93.A N SER 90.A O no hydrogen 3.024 N/A VAL 94.A N MET 161.A O no hydrogen 2.783 N/A VAL 95.A N HIS 88.A O no hydrogen 2.832 N/A VAL 96.A N VAL 159.A O no hydrogen 3.108 N/A HIS 97.A N HIS 86.A ND1 no hydrogen 3.134 N/A HIS 97.A ND1 THR 124.A OG1 no hydrogen 2.730 N/A ASN 98.A N GLY 157.A O no hydrogen 2.803 N/A ILE 100.A N ALA 155.A O no hydrogen 3.129 N/A ILE 101.A N ASP 123.A OD2 no hydrogen 2.775 N/A GLU 102.A N ARG 153.A O no hydrogen 2.686 N/A ASN 103.A ND2 GLN 151.A O no hydrogen 2.797 N/A HIS 104.A N ILE 101.A O no hydrogen 3.181 N/A HIS 104.A ND1 ILE 101.A O no hydrogen 3.055 N/A LEU 107.A N ASN 103.A O no hydrogen 3.309 N/A ARG 108.A N HIS 104.A O no hydrogen 2.736 N/A ARG 108.A NH2 THR 122.A O no hydrogen 2.970 N/A GLU 109.A N GLU 105.A O no hydrogen 3.042 N/A GLU 110.A N PRO 106.A O no hydrogen 2.975 N/A LEU 111.A N LEU 107.A O no hydrogen 2.760 N/A LYS 112.A N ARG 108.A O no hydrogen 2.625 N/A ALA 113.A N GLU 109.A O no hydrogen 2.650 N/A ARG 114.A N GLU 110.A O no hydrogen 2.887 N/A GLY 115.A N LYS 112.A O no hydrogen 2.559 N/A TYR 116.A N LEU 111.A O no hydrogen 2.930 N/A TYR 116.A OH ASN 132.A OD1 no hydrogen 2.665 N/A VAL 119.A N GLU 125.A OE2 no hydrogen 2.874 N/A SER 120.A N GLU 125.A OE1 no hydrogen 2.791 N/A SER 120.A OG THR 122.A OG1 no hydrogen 2.871 N/A SER 120.A OG GLU 125.A OE1 no hydrogen 2.558 N/A GLU 121.A N ASN 84.A OD1 no hydrogen 2.869 N/A THR 122.A N SER 120.A OG no hydrogen 3.026 N/A THR 122.A OG1 SER 120.A OG no hydrogen 2.871 N/A THR 124.A OG1 HIS 97.A ND1 no hydrogen 2.730 N/A GLU 125.A N THR 122.A OG1 no hydrogen 3.017 N/A VAL 126.A N ASP 123.A O no hydrogen 2.886 N/A ILE 127.A N THR 124.A O no hydrogen 2.902 N/A HIS 129.A N GLU 125.A O no hydrogen 3.106 N/A HIS 129.A ND1 SER 90.A OG no hydrogen 2.453 N/A HIS 129.A NE2 GLU 125.A OE2 no hydrogen 3.123 N/A LEU 130.A N VAL 126.A O no hydrogen 2.746 N/A VAL 131.A N ILE 127.A O no hydrogen 2.825 N/A ASN 132.A N ALA 128.A O no hydrogen 3.019 N/A ASN 132.A ND2 SER 90.A O no hydrogen 2.948 N/A ASN 132.A ND2 GLU 91.A OE1 no hydrogen 2.976 N/A TRP 133.A N HIS 129.A O no hydrogen 2.807 N/A GLU 134.A N LEU 130.A O no hydrogen 2.925 N/A LEU 135.A N VAL 131.A O no hydrogen 2.943 N/A LYS 136.A N ASN 132.A O no hydrogen 3.044 N/A LYS 136.A NZ GLU 91.A OE1 no hydrogen 3.505 N/A LYS 136.A NZ ASN 132.A OD1 no hydrogen 3.474 N/A GLN 137.A N GLU 134.A O no hydrogen 3.054 N/A GLN 137.A NE2 TRP 133.A O no hydrogen 2.931 N/A GLY 138.A N LEU 135.A O no hydrogen 2.954 N/A THR 140.A N GLU 143.A OE1 no hydrogen 3.142 N/A GLU 143.A N THR 140.A OG1 no hydrogen 3.122 N/A ALA 144.A N THR 140.A O no hydrogen 2.956 N/A VAL 145.A N LEU 141.A O no hydrogen 2.875 N/A LEU 146.A N ARG 142.A O no hydrogen 2.815 N/A ARG 147.A N GLU 143.A O no hydrogen 3.057 N/A ARG 147.A NE GLU 134.A OE1 no hydrogen 2.891 N/A ARG 147.A NH2 GLU 134.A O no hydrogen 2.644 N/A ARG 147.A NH2 GLY 138.A O no hydrogen 2.961 N/A ALA 148.A N ALA 144.A O no hydrogen 2.892 N/A ILE 149.A N VAL 145.A O no hydrogen 2.913 N/A GLN 151.A N ALA 148.A O no hydrogen 2.891 N/A GLN 151.A NE2 GLU 134.A OE2 no hydrogen 2.605 N/A GLN 151.A NE2 ARG 147.A O no hydrogen 2.996 N/A LEU 152.A N ILE 149.A O no hydrogen 2.929 N/A ARG 153.A N ASN 103.A OD1 no hydrogen 2.952 N/A ARG 153.A NH1 PRO 150.A O no hydrogen 3.468 N/A TYR 156.A N SER 174.A O no hydrogen 2.781 N/A GLY 157.A N ASN 98.A O no hydrogen 2.890 N/A THR 158.A N ALA 172.A O no hydrogen 3.025 N/A THR 158.A OG1 VAL 96.A O no hydrogen 2.836 N/A VAL 159.A N VAL 96.A O no hydrogen 3.167 N/A ILE 160.A N LEU 170.A O no hydrogen 2.704 N/A MET 161.A N VAL 94.A O no hydrogen 2.913 N/A SER 163.A N HIS 92.A O no hydrogen 2.852 N/A SER 163.A OG HIS 92.A O no hydrogen 3.436 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 2.860 N/A ARG 164.A NE ASP 162.A OD1 no hydrogen 2.999 N/A ARG 164.A NE ASP 162.A OD2 no hydrogen 3.274 N/A ARG 164.A NH2 ASP 162.A OD2 no hydrogen 2.647 N/A HIS 165.A N ASP 162.A O no hydrogen 2.809 N/A HIS 165.A ND1 ASP 162.A OD2 no hydrogen 3.317 N/A THR 168.A OG1 ASP 167.A OD1 no hydrogen 3.032 N/A LEU 169.A N ILE 214.A O no hydrogen 2.791 N/A LEU 170.A N ILE 160.A O no hydrogen 2.990 N/A ALA 171.A N ALA 212.A O no hydrogen 2.920 N/A ALA 172.A N THR 158.A O no hydrogen 2.955 N/A ARG 173.A N ASP 210.A O no hydrogen 3.011 N/A ARG 173.A NH1 LEU 178.A O no hydrogen 3.453 N/A SER 174.A N TYR 156.A O no hydrogen 2.727 N/A VAL 179.A N ALA 190.A O no hydrogen 2.803 N/A ILE 180.A N ILE 204.A O no hydrogen 2.775 N/A GLY 181.A N PHE 188.A O no hydrogen 2.811 N/A LEU 182.A N ARG 202.A O no hydrogen 2.925 N/A GLY 183.A N GLU 186.A O no hydrogen 2.814 N/A GLY 183.A N ASN 187.A OD1 no hydrogen 3.354 N/A ASN 187.A N ILE 7.A O no hydrogen 2.992 N/A ASN 187.A ND2 THR 215.A O no hydrogen 2.805 N/A PHE 188.A N GLY 181.A O no hydrogen 2.757 N/A ILE 189.A N GLY 5.A O no hydrogen 2.949 N/A ALA 190.A N VAL 179.A O no hydrogen 2.910 N/A SER 191.A N ILE 3.A O no hydrogen 2.934 N/A SER 191.A OG ILE 3.A O no hydrogen 3.560 N/A GLN 193.A NE2 SER 236.A OG no hydrogen 3.098 N/A LEU 194.A N ASP 192.A OD1 no hydrogen 2.916 N/A ALA 195.A N ASP 192.A O no hydrogen 3.017 N/A LEU 196.A N GLN 193.A O no hydrogen 2.892 N/A VAL 199.A N LEU 196.A O no hydrogen 2.902 N/A THR 200.A N LEU 196.A O no hydrogen 3.071 N/A THR 200.A OG1 LEU 182.A O no hydrogen 2.649 N/A ARG 201.A NE LEU 197.A O no hydrogen 2.827 N/A ARG 201.A NH1 ASN 237.A OD1 no hydrogen 3.050 N/A ARG 202.A N THR 200.A OG1 no hydrogen 3.082 N/A ARG 202.A NH2 ASP 233.A OD2 no hydrogen 2.710 N/A PHE 203.A N ILE 234.A O no hydrogen 2.727 N/A ILE 204.A N ILE 180.A O no hydrogen 2.843 N/A LEU 206.A N LEU 178.A O no hydrogen 3.089 N/A GLU 207.A N ASP 210.A OD2 no hydrogen 2.803 N/A GLY 209.A N ARG 173.A O no hydrogen 2.805 N/A ASP 210.A N GLU 207.A O no hydrogen 3.044 N/A ILE 211.A N PHE 222.A O no hydrogen 2.722 N/A ALA 212.A N ALA 171.A O no hydrogen 2.763 N/A GLU 213.A N ASN 220.A O no hydrogen 2.736 N/A ILE 214.A N LEU 169.A O no hydrogen 2.842 N/A THR 215.A N SER 218.A O no hydrogen 2.937 N/A THR 215.A OG1 SER 218.A O no hydrogen 3.474 N/A THR 215.A OG1 SER 218.A OG no hydrogen 2.826 N/A ARG 216.A NE GLY 185.A O no hydrogen 2.907 N/A ARG 216.A NH2 GLY 185.A O no hydrogen 2.801 N/A ARG 217.A N THR 215.A OG1 no hydrogen 3.093 N/A SER 218.A N THR 215.A OG1 no hydrogen 2.963 N/A SER 218.A OG THR 215.A OG1 no hydrogen 2.826 N/A ASN 220.A N GLU 213.A O no hydrogen 2.865 N/A ASN 220.A ND2 GLU 213.A OE1 no hydrogen 3.070 N/A PHE 222.A N ILE 211.A O no hydrogen 2.775 N/A ASP 223.A N ALA 227.A O no hydrogen 2.867 N/A THR 225.A N ASP 223.A OD1 no hydrogen 2.945 N/A THR 225.A OG1 ASP 223.A OD1 no hydrogen 2.777 N/A GLY 226.A N ASP 223.A O no hydrogen 2.869 N/A ALA 227.A N ASP 223.A OD1 no hydrogen 3.055 N/A VAL 229.A N ILE 221.A O no hydrogen 2.844 N/A ARG 231.A NE ASP 210.A OD2 no hydrogen 2.793 N/A ARG 231.A NH2 ASP 210.A OD1 no hydrogen 2.798 N/A ILE 234.A N PHE 203.A O no hydrogen 2.714 N/A SER 236.A N ARG 201.A O no hydrogen 2.716 N/A ASN 237.A ND2 GLU 235.A OE2 no hydrogen 3.284 N/A