Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fa5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N PRO 253.A O no hydrogen 3.011 N/A CYS 4.A SG ILE 5.A O no hydrogen 3.851 N/A CYS 4.A SG GLY 215.A O no hydrogen 3.611 N/A ILE 5.A N HIS 216.A ND1 no hydrogen 2.892 N/A CYS 7.A N ALA 217.A O no hydrogen 2.750 N/A CYS 7.A SG ILE 44.A O no hydrogen 3.904 N/A VAL 8.A N ILE 44.A O no hydrogen 2.856 N/A ALA 9.A N THR 219.A O no hydrogen 2.621 N/A ILE 10.A N HIS 46.A O no hydrogen 3.378 N/A THR 11.A OG1 PRO 24.A O no hydrogen 2.795 N/A SER 13.A OG HIS 48.A ND1 no hydrogen 3.035 N/A SER 13.A OG SER 86.A OG no hydrogen 2.669 N/A THR 16.A N ASN 19.A OD1 no hydrogen 2.781 N/A THR 16.A OG1 ASN 19.A OD1 no hydrogen 3.261 N/A LYS 17.A NZ PRO 21.A O no hydrogen 2.942 N/A LYS 17.A NZ VAL 23.A O no hydrogen 2.858 N/A LYS 17.A NZ GLU 29.A OE1 no hydrogen 3.332 N/A LYS 17.A NZ GLU 29.A OE2 no hydrogen 2.581 N/A ASN 19.A N THR 16.A OG1 no hydrogen 3.302 N/A ASN 20.A N THR 16.A O no hydrogen 3.142 N/A ASN 20.A ND2 VAL 225.A O no hydrogen 2.865 N/A ASN 20.A ND2 ALA 233.A O no hydrogen 2.708 N/A ALA 22.A N ASN 20.A OD1 no hydrogen 2.891 N/A VAL 23.A N ASN 20.A O no hydrogen 3.081 N/A ILE 25.A N GLU 29.A OE1 no hydrogen 2.894 N/A THR 26.A N GLU 29.A OE1 no hydrogen 3.186 N/A GLU 29.A N THR 26.A OG1 no hydrogen 3.114 N/A GLN 30.A N THR 26.A O no hydrogen 2.968 N/A GLN 30.A NE2 THR 11.A OG1 no hydrogen 2.901 N/A GLN 30.A NE2 HIS 48.A O no hydrogen 2.769 N/A VAL 31.A N LEU 27.A O no hydrogen 3.015 N/A GLU 32.A N ALA 28.A O no hydrogen 3.155 N/A SER 33.A N GLU 29.A O no hydrogen 2.732 N/A THR 34.A N GLN 30.A O no hydrogen 2.794 N/A THR 34.A OG1 GLN 30.A O no hydrogen 2.498 N/A HIS 35.A N VAL 31.A O no hydrogen 2.816 N/A GLU 36.A N GLU 32.A O no hydrogen 2.941 N/A ALA 37.A N SER 33.A O no hydrogen 2.981 N/A PHE 38.A N THR 34.A O no hydrogen 2.679 N/A GLU 39.A N HIS 35.A O no hydrogen 2.842 N/A ALA 40.A N GLU 36.A O no hydrogen 2.987 N/A GLY 41.A N ALA 37.A O no hydrogen 3.108 N/A GLY 41.A N PHE 38.A O no hydrogen 2.978 N/A ALA 42.A N ALA 37.A O no hydrogen 3.021 N/A SER 43.A N ILE 6.A O no hydrogen 2.773 N/A SER 43.A OG ALA 255.A O no hydrogen 3.412 N/A ILE 44.A N ILE 6.A O no hydrogen 3.392 N/A ALA 45.A N ILE 77.A O no hydrogen 2.956 N/A HIS 46.A N VAL 8.A O no hydrogen 2.950 N/A HIS 46.A ND1 GLN 79.A OE1 no hydrogen 2.736 N/A CYS 47.A N GLN 79.A O no hydrogen 2.843 N/A CYS 47.A SG ALA 45.A O no hydrogen 3.678 N/A HIS 48.A ND1 SER 13.A OG no hydrogen 3.035 N/A ARG 50.A NE GLY 12.A O no hydrogen 2.778 N/A ARG 50.A NH1 PRO 15.A O no hydrogen 2.963 N/A ARG 50.A NH1 GLY 54.A O no hydrogen 3.118 N/A ARG 50.A NH2 GLY 12.A O no hydrogen 2.896 N/A ARG 50.A NH2 PRO 15.A O no hydrogen 2.871 N/A ASP 51.A N ARG 55.A O no hydrogen 2.761 N/A GLU 53.A N ASP 51.A OD1 no hydrogen 2.894 N/A GLY 54.A N ASP 51.A O no hydrogen 2.948 N/A ARG 55.A N ASP 51.A OD1 no hydrogen 2.712 N/A SER 58.A OG SER 86.A O no hydrogen 2.808 N/A ASP 59.A N THR 57.A OG1 no hydrogen 3.337 N/A ASP 61.A N ASP 59.A OD1 no hydrogen 3.265 N/A ARG 62.A NH2 ASP 52.A OD1 no hydrogen 3.104 N/A PHE 63.A N ASP 59.A O no hydrogen 3.117 N/A ALA 64.A N PRO 60.A O no hydrogen 2.733 N/A ALA 65.A N ASP 61.A O no hydrogen 2.952 N/A LEU 66.A N ARG 62.A O no hydrogen 2.983 N/A LYS 67.A N PHE 63.A O no hydrogen 2.903 N/A LYS 67.A NZ GLU 71.A OE1 no hydrogen 3.061 N/A LYS 67.A NZ GLU 71.A OE2 no hydrogen 3.122 N/A GLU 68.A N ALA 64.A O no hydrogen 3.189 N/A GLY 69.A N ALA 65.A O no hydrogen 3.079 N/A LEU 70.A N LEU 66.A O no hydrogen 2.875 N/A GLU 71.A N LYS 67.A O no hydrogen 2.921 N/A ARG 72.A N GLU 68.A O no hydrogen 2.965 N/A ARG 72.A NH1 GLU 68.A OE2 no hydrogen 3.413 N/A ARG 72.A NH2 GLU 68.A OE2 no hydrogen 3.209 N/A HIS 73.A N GLY 69.A O no hydrogen 2.852 N/A CYS 74.A N LEU 70.A O no hydrogen 2.811 N/A CYS 74.A SG HIS 35.A ND1 no hydrogen 3.595 N/A ILE 77.A N SER 43.A O no hydrogen 2.851 N/A VAL 78.A N ASP 100.A OD2 no hydrogen 3.047 N/A GLN 79.A N ALA 45.A O no hydrogen 2.925 N/A GLN 79.A NE2 GLU 136.A OE1 no hydrogen 2.618 N/A SER 81.A N CYS 47.A O no hydrogen 3.062 N/A THR 82.A N SER 102.A OG no hydrogen 3.184 N/A THR 82.A OG1 SER 102.A O no hydrogen 2.565 N/A GLY 83.A N SER 81.A OG no hydrogen 2.977 N/A GLY 84.A N TYR 115.A OH no hydrogen 3.254 N/A SER 86.A OG SER 13.A OG no hydrogen 2.669 N/A ARG 92.A N GLY 89.A O no hydrogen 3.045 N/A ARG 92.A NE THR 82.A O no hydrogen 2.833 N/A ARG 92.A NH1 GLU 116.A O no hydrogen 3.272 N/A ARG 92.A NH1 ASN 117.A OD1 no hydrogen 3.360 N/A ARG 92.A NH2 THR 82.A O no hydrogen 3.066 N/A ARG 92.A NH2 ASN 117.A OD1 no hydrogen 2.835 N/A GLY 93.A N GLN 90.A O no hydrogen 2.955 N/A ALA 94.A N ALA 91.A O no hydrogen 3.241 N/A CYS 98.A N LEU 95.A O no hydrogen 2.970 N/A CYS 98.A SG PRO 96.A O no hydrogen 3.596 N/A CYS 98.A SG TYR 131.A O no hydrogen 4.020 N/A ALA 101.A N LYS 134.A O no hydrogen 3.145 N/A SER 102.A N LEU 80.A O no hydrogen 3.065 N/A LEU 103.A N GLU 136.A O no hydrogen 2.877 N/A ASN 108.A ND2 ASN 109.A O no hydrogen 2.809 N/A PHE 110.A N ARG 113.A O no hydrogen 2.794 N/A TYR 115.A N ASN 108.A O no hydrogen 2.667 N/A ASN 117.A N SER 107.A OG no hydrogen 2.705 N/A ASN 117.A ND2 GLY 106.A O no hydrogen 3.084 N/A VAL 122.A N PRO 118.A O no hydrogen 2.996 N/A ASP 123.A N PRO 119.A O no hydrogen 3.105 N/A TRP 124.A N ASP 120.A O no hydrogen 2.879 N/A LEU 125.A N LEU 121.A O no hydrogen 2.894 N/A ALA 126.A N VAL 122.A O no hydrogen 2.970 N/A ALA 127.A N ASP 123.A O no hydrogen 2.879 N/A GLU 128.A N TRP 124.A O no hydrogen 3.034 N/A LYS 130.A N ALA 127.A O no hydrogen 2.977 N/A LYS 130.A NZ TYR 131.A OH no hydrogen 3.554 N/A TYR 131.A N GLU 128.A O no hydrogen 3.055 N/A ASP 132.A N LEU 129.A O no hydrogen 3.120 N/A LYS 134.A N ASP 100.A O no hydrogen 2.902 N/A GLU 136.A N ALA 101.A O no hydrogen 3.083 N/A ILE 137.A N TYR 161.A O no hydrogen 2.843 N/A GLU 138.A N LEU 103.A O no hydrogen 2.820 N/A ALA 139.A N GLN 163.A O no hydrogen 2.880 N/A PHE 140.A N HIS 144.A ND1 no hydrogen 3.312 N/A LEU 142.A N ASP 141.A OD1 no hydrogen 2.794 N/A HIS 144.A N ASP 141.A O no hydrogen 3.108 N/A HIS 144.A NE2 SER 107.A O no hydrogen 2.973 N/A ILE 145.A N LEU 142.A O no hydrogen 3.040 N/A GLN 147.A N SER 143.A O no hydrogen 2.912 N/A ALA 148.A N HIS 144.A O no hydrogen 3.016 N/A LYS 149.A N ILE 145.A O no hydrogen 3.123 N/A ARG 150.A N LEU 146.A O no hydrogen 3.060 N/A GLY 152.A N LYS 149.A O no hydrogen 2.943 N/A ASP 153.A N ARG 150.A O no hydrogen 3.161 N/A GLY 154.A N ALA 151.A O no hydrogen 3.156 N/A ARG 155.A N ASP 153.A OD1 no hydrogen 3.304 N/A ARG 155.A NE ASP 153.A OD1 no hydrogen 2.868 N/A ARG 155.A NE ASP 153.A OD2 no hydrogen 3.267 N/A ARG 155.A NH1 ASP 123.A OD1 no hydrogen 2.848 N/A ARG 155.A NH1 ASP 123.A OD2 no hydrogen 3.532 N/A ARG 155.A NH2 ASP 153.A OD2 no hydrogen 2.831 N/A GLN 163.A N ILE 137.A O no hydrogen 2.730 N/A GLN 163.A NE2 GLU 136.A OE2 no hydrogen 2.844 N/A PHE 164.A N CYS 195.A O no hydrogen 2.893 N/A VAL 165.A N ALA 139.A O no hydrogen 2.993 N/A ASN 169.A ND2 PHE 110.A O no hydrogen 2.851 N/A ALA 170.A N VAL 167.A O no hydrogen 2.985 N/A ARG 174.A NE ASP 178.A OD1 no hydrogen 3.445 N/A VAL 176.A N ASP 173.A OD1 no hydrogen 2.720 N/A PHE 177.A N ASP 173.A O no hydrogen 3.015 N/A ASP 178.A N ARG 174.A O no hydrogen 2.924 N/A TYR 179.A N ASP 175.A O no hydrogen 3.163 N/A TYR 180.A N VAL 176.A O no hydrogen 2.783 N/A ILE 181.A N PHE 177.A O no hydrogen 3.072 N/A HIS 182.A N ASP 178.A O no hydrogen 2.892 N/A THR 183.A N TYR 179.A O no hydrogen 2.723 N/A THR 183.A OG1 TYR 179.A O no hydrogen 2.721 N/A VAL 184.A N TYR 180.A O no hydrogen 2.932 N/A ARG 185.A N ILE 181.A O no hydrogen 2.972 N/A ARG 186.A N HIS 182.A O no hydrogen 3.019 N/A LEU 187.A N THR 183.A O no hydrogen 2.984 N/A PHE 188.A N VAL 184.A O no hydrogen 2.785 N/A GLY 189.A N ARG 185.A O no hydrogen 2.815 N/A ALA 192.A N GLY 189.A O no hydrogen 3.136 N/A CYS 195.A N VAL 162.A O no hydrogen 2.956 N/A CYS 195.A SG.A GLU 136.A OE2 no hydrogen 3.091 N/A CYS 195.A SG.A TYR 161.A OH no hydrogen 3.441 N/A CYS 195.A SG.B ALA 196.A O no hydrogen 3.793 N/A CYS 195.A SG.B HIS 216.A O no hydrogen 3.600 N/A ALA 197.A N PHE 164.A O no hydrogen 2.740 N/A GLY 200.A N ASP 223.A O no hydrogen 2.716 N/A SER 202.A N ILE 199.A O no hydrogen 3.101 N/A SER 202.A OG.B ILE 199.A O no hydrogen 2.685 N/A GLN 203.A N GLY 200.A O no hydrogen 3.087 N/A GLN 203.A NE2 GLY 220.A O no hydrogen 2.991 N/A LEU 206.A N SER 202.A O no hydrogen 2.812 N/A ASN 207.A N GLN 203.A O no hydrogen 2.960 N/A GLU 208.A N ILE 204.A O no hydrogen 3.061 N/A TRP 209.A N VAL 205.A O no hydrogen 3.033 N/A ALA 210.A N LEU 206.A O no hydrogen 2.890 N/A ILE 211.A N ASN 207.A O no hydrogen 2.981 N/A SER 212.A N GLU 208.A O no hydrogen 2.866 N/A SER 212.A OG GLU 208.A O no hydrogen 2.627 N/A SER 212.A OG TRP 209.A O no hydrogen 3.198 N/A SER 213.A N ALA 210.A O no hydrogen 2.975 N/A SER 213.A OG TRP 209.A O no hydrogen 2.806 N/A GLY 215.A N ALA 210.A O no hydrogen 2.804 N/A HIS 216.A N TRP 194.A O no hydrogen 2.910 N/A ALA 217.A N ILE 5.A O no hydrogen 3.027 N/A ARG 218.A N ALA 196.A O no hydrogen 3.264 N/A ARG 218.A NE ASP 223.A OD2 no hydrogen 3.090 N/A ARG 218.A NH2 GLU 222.A OE2 no hydrogen 3.084 N/A ARG 218.A NH2 ASP 223.A OD1 no hydrogen 3.086 N/A ARG 218.A NH2 ASP 223.A OD2 no hydrogen 3.566 N/A THR 219.A N CYS 7.A O no hydrogen 2.835 N/A LEU 221.A N ASN 236.A OD1 no hydrogen 2.865 N/A GLU 222.A N ALA 9.A O no hydrogen 3.033 N/A ASP 223.A N GLY 220.A O no hydrogen 3.181 N/A ASN 224.A N GLY 220.A O no hydrogen 3.337 N/A ASN 224.A ND2 GLN 203.A OE1 no hydrogen 2.840 N/A ASN 224.A ND2 ARG 226.A O no hydrogen 2.824 N/A ARG 226.A N ASN 224.A OD1 no hydrogen 3.140 N/A ARG 226.A NE ASP 228.A O no hydrogen 2.932 N/A ARG 226.A NH2 ASP 228.A O no hydrogen 3.464 N/A ARG 226.A NH2 ARG 229.A O no hydrogen 3.051 N/A LEU 227.A N ARG 231.A O no hydrogen 2.701 N/A ASP 228.A N ARG 231.A O no hydrogen 3.280 N/A ASP 230.A N ASP 228.A OD1 no hydrogen 2.665 N/A ARG 231.A N ASP 228.A O no hydrogen 3.242 N/A ARG 231.A NH2 ASP 228.A OD2 no hydrogen 2.557 N/A ALA 233.A N VAL 225.A O no hydrogen 2.839 N/A ASN 236.A ND2 ILE 10.A O no hydrogen 2.933 N/A ASN 236.A ND2 SER 33.A OG no hydrogen 2.914 N/A ALA 238.A N SER 235.A O no hydrogen 3.225 N/A ALA 238.A N SER 235.A OG no hydrogen 2.875 N/A LEU 239.A N ASN 236.A O no hydrogen 3.140 N/A VAL 240.A N ASN 236.A O no hydrogen 3.202 N/A GLY 241.A N ALA 237.A O no hydrogen 2.801 N/A ARG 242.A N ALA 238.A O no hydrogen 3.296 N/A ARG 242.A N LEU 239.A O no hydrogen 3.032 N/A ALA 243.A N LEU 239.A O no hydrogen 3.328 N/A VAL 244.A N VAL 240.A O no hydrogen 2.834 N/A GLU 245.A N GLY 241.A O no hydrogen 2.995 N/A LEU 246.A N ARG 242.A O no hydrogen 3.197 N/A CYS 247.A N ALA 243.A O no hydrogen 3.041 N/A CYS 247.A SG ALA 243.A O no hydrogen 3.491 N/A GLU 248.A N VAL 244.A O no hydrogen 3.217 N/A LYS 249.A N GLU 245.A O no hydrogen 2.948 N/A LYS 249.A NZ GLU 208.A OE2 no hydrogen 2.928 N/A TYR 250.A N LEU 246.A O no hydrogen 2.971 N/A TYR 250.A OH GLU 208.A OE2 no hydrogen 2.821 N/A GLU 251.A N GLU 248.A O no hydrogen 2.971 N/A ARG 252.A N CYS 247.A O no hydrogen 2.839 N/A ARG 252.A NE LYS 2.A O no hydrogen 2.905 N/A ARG 252.A NH1 ILE 211.A O no hydrogen 2.688 N/A ARG 252.A NH1 GLY 215.A O no hydrogen 2.850 N/A ARG 252.A NH2 PRO 3.A O no hydrogen 3.337 N/A ARG 252.A NH2 GLY 215.A O no hydrogen 3.045 N/A ALA 255.A N CYS 4.A O no hydrogen 2.704 N/A THR 256.A N GLN 259.A OE1 no hydrogen 2.979 N/A GLN 259.A N THR 256.A OG1 no hydrogen 3.128 N/A ALA 260.A N THR 256.A O no hydrogen 2.930 N/A ARG 261.A N TRP 257.A O no hydrogen 2.905 N/A ARG 261.A NE GLY 76.A O no hydrogen 2.989 N/A ARG 261.A NH1 ASP 100.A OD1 no hydrogen 2.914 N/A ARG 261.A NH1 ARG 267.A O no hydrogen 2.884 N/A ARG 261.A NH2 GLY 76.A O no hydrogen 3.350 N/A ARG 261.A NH2 ASP 100.A OD1 no hydrogen 3.524 N/A ARG 261.A NH2 ASP 100.A OD2 no hydrogen 2.947 N/A GLN 262.A N ARG 258.A O no hydrogen 2.863 N/A ILE 263.A N GLN 259.A O no hydrogen 2.738 N/A LEU 264.A N ALA 260.A O no hydrogen 3.065 N/A GLY 265.A N GLN 262.A O no hydrogen 3.351 N/A LEU 266.A N ARG 261.A O no hydrogen 2.826 N/A ARG 267.A NH1 ASP 132.A O no hydrogen 3.100 N/A ARG 267.A NH1 ASP 132.A OD2 no hydrogen 3.073 N/A ARG 267.A NH2 CYS 98.A O no hydrogen 3.437 N/A