Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cm8_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD2 no hydrogen 2.809 N/A ALA 5.A N ARG 28.A O no hydrogen 2.795 N/A VAL 6.A N VAL 88.A O no hydrogen 2.829 N/A VAL 7.A N VAL 30.A O no hydrogen 3.092 N/A THR 8.A N VAL 90.A O no hydrogen 3.025 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.404 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.997 N/A ALA 10.A N HIS 32.A O no hydrogen 3.030 N/A ARG 13.A NH1 LEU 192.A O no hydrogen 2.966 N/A ARG 13.A NH2 LEU 191.A O no hydrogen 2.852 N/A ARG 16.A N LYS 12.A O no hydrogen 3.066 N/A ARG 16.A NH2 GLU 46.A OE1 no hydrogen 3.118 N/A ALA 17.A N ARG 13.A O no hydrogen 3.201 N/A ILE 18.A N ILE 14.A O no hydrogen 3.020 N/A ALA 19.A N GLY 15.A O no hydrogen 2.965 N/A VAL 20.A N ARG 16.A O no hydrogen 3.011 N/A LYS 21.A N ALA 17.A O no hydrogen 2.968 N/A LEU 22.A N ILE 18.A O no hydrogen 2.894 N/A HIS 23.A N ALA 19.A O no hydrogen 2.923 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.596 N/A GLN 24.A N VAL 20.A O no hydrogen 2.769 N/A THR 25.A N LYS 21.A O no hydrogen 2.900 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.776 N/A GLY 26.A N HIS 23.A O no hydrogen 2.952 N/A TYR 27.A N LEU 22.A O no hydrogen 3.053 N/A ARG 28.A N PRO 3.A O no hydrogen 2.783 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.351 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.799 N/A VAL 29.A N THR 54.A O no hydrogen 2.834 N/A VAL 30.A N ALA 5.A O no hydrogen 2.778 N/A ILE 31.A N VAL 56.A O no hydrogen 2.802 N/A HIS 32.A N VAL 7.A O no hydrogen 3.100 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.811 N/A TYR 33.A N CYS 58.A O no hydrogen 3.029 N/A ALA 40.A N SER 36.A O no hydrogen 2.972 N/A VAL 41.A N ALA 37.A O no hydrogen 2.972 N/A SER 42.A N GLU 38.A O no hydrogen 3.033 N/A SER 42.A OG GLU 38.A O no hydrogen 3.541 N/A SER 42.A OG ALA 39.A O no hydrogen 3.140 N/A LEU 43.A N ALA 39.A O no hydrogen 2.917 N/A ALA 44.A N ALA 40.A O no hydrogen 2.901 N/A ASP 45.A N VAL 41.A O no hydrogen 2.861 N/A GLU 46.A N SER 42.A O no hydrogen 3.003 N/A LEU 47.A N LEU 43.A O no hydrogen 2.919 N/A ASN 48.A N ALA 44.A O no hydrogen 2.808 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.900 N/A LYS 49.A N ASP 45.A O no hydrogen 2.978 N/A GLU 50.A N GLU 46.A O no hydrogen 3.194 N/A ARG 51.A N LEU 47.A O no hydrogen 2.955 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 3.013 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.005 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.832 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.596 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.606 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.908 N/A VAL 56.A N VAL 29.A O no hydrogen 3.022 N/A CYS 58.A N ILE 31.A O no hydrogen 2.932 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.089 N/A ALA 60.A N TYR 33.A O no hydrogen 2.981 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.002 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.582 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.471 N/A ASN 64.A N ALA 112.A O no hydrogen 2.943 N/A VAL 67.A N SER 65.A OG no hydrogen 3.077 N/A LEU 68.A N SER 65.A O no hydrogen 3.403 N/A SER 71.A N VAL 67.A O no hydrogen 2.950 N/A SER 71.A OG VAL 67.A O no hydrogen 2.974 N/A CYS 72.A N LEU 68.A O no hydrogen 2.843 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.435 N/A CYS 72.A SG ALA 121.A O no hydrogen 3.940 N/A GLU 73.A N PRO 69.A O no hydrogen 2.918 N/A GLU 74.A N ALA 70.A O no hydrogen 2.980 N/A ILE 75.A N SER 71.A O no hydrogen 2.895 N/A ILE 76.A N CYS 72.A O no hydrogen 3.201 N/A ASN 77.A N GLU 73.A O no hydrogen 2.858 N/A SER 78.A N GLU 74.A O no hydrogen 2.934 N/A SER 78.A N ILE 75.A O no hydrogen 3.243 N/A SER 78.A OG ILE 75.A O no hydrogen 2.764 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.371 N/A PHE 80.A N ILE 76.A O no hydrogen 3.292 N/A ARG 81.A N ASN 77.A O no hydrogen 2.808 N/A ARG 81.A NH1 GLU 74.A OE1 no hydrogen 3.164 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 2.941 N/A ARG 81.A NH2 GLU 74.A OE1 no hydrogen 2.834 N/A ALA 82.A N SER 78.A O no hydrogen 2.980 N/A PHE 83.A N CYS 79.A O no hydrogen 2.801 N/A GLY 84.A N PHE 80.A O no hydrogen 2.788 N/A ARG 85.A NE ASP 87.A OD1 no hydrogen 3.312 N/A ARG 85.A NE ASP 87.A OD2 no hydrogen 2.711 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 2.769 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.989 N/A ASP 87.A N ALA 4.A O no hydrogen 2.896 N/A VAL 88.A N ALA 4.A O no hydrogen 3.161 N/A LEU 89.A N SER 138.A O no hydrogen 3.137 N/A VAL 90.A N VAL 6.A O no hydrogen 2.815 N/A ASN 91.A N VAL 140.A O no hydrogen 2.948 N/A ASN 91.A ND2 ASN 141.A OD1 no hydrogen 2.781 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.917 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.177 N/A ALA 93.A N THR 8.A OG1 no hydrogen 3.004 N/A SER 94.A OG ALA 95.A O no hydrogen 3.266 N/A SER 94.A OG ASN 118.A OD1 no hydrogen 2.625 N/A ALA 95.A N THR 117.A OG1 no hydrogen 2.919 N/A TYR 97.A OH GLU 113.A OE1 no hydrogen 2.571 N/A THR 99.A N ALA 153.A O no hydrogen 2.766 N/A LYS 105.A NZ GLU 113.A OE1 no hydrogen 2.909 N/A THR 106.A OG1 THR 109.A OG1 no hydrogen 3.190 N/A GLU 108.A N.A GLU 108.A OE1.A no hydrogen 2.925 N/A THR 109.A N THR 106.A OG1 no hydrogen 3.262 N/A THR 109.A OG1 THR 106.A OG1 no hydrogen 3.190 N/A GLN 110.A N THR 106.A O no hydrogen 3.091 N/A VAL 111.A N VAL 107.A O no hydrogen 2.874 N/A ALA 112.A N GLU 108.A O.A no hydrogen 2.933 N/A ALA 112.A N GLU 108.A O.B no hydrogen 2.887 N/A GLU 113.A N THR 109.A O no hydrogen 2.815 N/A LEU 114.A N GLN 110.A O no hydrogen 2.828 N/A ILE 115.A N VAL 111.A O no hydrogen 2.919 N/A GLY 116.A N ALA 112.A O no hydrogen 2.966 N/A THR 117.A N GLU 113.A O no hydrogen 3.024 N/A THR 117.A OG1 GLU 113.A O no hydrogen 2.841 N/A ASN 118.A N LEU 114.A O no hydrogen 3.290 N/A ASN 118.A ND2 ALA 95.A O no hydrogen 3.138 N/A ASN 118.A ND2 LEU 114.A O no hydrogen 2.925 N/A ALA 119.A N ILE 115.A O no hydrogen 3.043 N/A ILE 120.A N ILE 115.A O no hydrogen 3.007 N/A ALA 121.A N GLY 116.A O no hydrogen 2.722 N/A PHE 123.A N ALA 119.A O no hydrogen 3.033 N/A LEU 124.A N ILE 120.A O no hydrogen 2.863 N/A LEU 125.A N ALA 121.A O no hydrogen 2.812 N/A THR 126.A N PRO 122.A O no hydrogen 2.933 N/A THR 126.A OG1 PRO 122.A O no hydrogen 2.721 N/A MET 127.A N PHE 123.A O no hydrogen 2.952 N/A SER 128.A N LEU 124.A O no hydrogen 2.919 N/A SER 128.A OG LEU 124.A O no hydrogen 3.335 N/A PHE 129.A N LEU 125.A O no hydrogen 2.832 N/A ALA 130.A N THR 126.A O no hydrogen 2.909 N/A GLN 131.A N MET 127.A O no hydrogen 2.711 N/A ARG 132.A N SER 128.A O no hydrogen 3.089 N/A ARG 132.A NH1 ASN 77.A OD1 no hydrogen 2.520 N/A GLN 133.A N ALA 130.A O no hydrogen 2.892 N/A SER 138.A N ASP 87.A O no hydrogen 3.028 N/A ILE 139.A N ARG 181.A O no hydrogen 2.800 N/A VAL 140.A N LEU 89.A O no hydrogen 2.813 N/A ASN 141.A N ASN 183.A O no hydrogen 2.896 N/A ASN 141.A ND2 THR 168.A OG1 no hydrogen 2.864 N/A LEU 142.A N ASN 91.A O no hydrogen 2.923 N/A CYS 143.A N VAL 185.A O no hydrogen 2.830 N/A CYS 143.A SG ASN 141.A O no hydrogen 3.574 N/A ALA 145.A N PRO 187.A O no hydrogen 2.865 N/A MET 146.A N ASP 144.A OD1 no hydrogen 2.796 N/A VAL 147.A N ASP 144.A O no hydrogen 3.372 N/A GLN 149.A N MET 146.A O no hydrogen 2.889 N/A GLN 149.A NE2 SER 247.A O no hydrogen 2.951 N/A LEU 156.A N THR 99.A OG1 no hydrogen 3.398 N/A TYR 157.A OH ASP 144.A OD2 no hydrogen 2.661 N/A ASN 158.A N.A PHE 154.A O no hydrogen 2.921 N/A ASN 158.A N.B PHE 154.A O no hydrogen 2.929 N/A ASN 158.A ND2.A VAL 147.A O no hydrogen 3.573 N/A ASN 158.A ND2.B VAL 147.A O no hydrogen 2.732 N/A MET 159.A N SER 155.A O no hydrogen 2.719 N/A GLY 160.A N LEU 156.A O no hydrogen 2.952 N/A LYS 161.A N TYR 157.A O no hydrogen 2.900 N/A LYS 161.A NZ ASN 118.A OD1 no hydrogen 3.076 N/A LYS 161.A NZ LEU 142.A O no hydrogen 2.843 N/A HIS 162.A N ASN 158.A O.A no hydrogen 2.895 N/A HIS 162.A N ASN 158.A O.B no hydrogen 2.905 N/A HIS 162.A NE2 VAL 147.A O no hydrogen 3.063 N/A ALA 163.A N MET 159.A O no hydrogen 2.920 N/A LEU 164.A N GLY 160.A O no hydrogen 2.978 N/A VAL 165.A N LYS 161.A O no hydrogen 3.217 N/A GLY 166.A N HIS 162.A O no hydrogen 3.170 N/A LEU 167.A N ALA 163.A O no hydrogen 2.814 N/A THR 168.A N LEU 164.A O no hydrogen 2.889 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.743 N/A GLN 169.A N VAL 165.A O no hydrogen 2.951 N/A SER 170.A N GLY 166.A O no hydrogen 2.820 N/A SER 170.A OG GLY 166.A O no hydrogen 3.344 N/A ALA 171.A N LEU 167.A O no hydrogen 2.766 N/A ALA 172.A N THR 168.A O no hydrogen 2.925 N/A LEU 173.A N GLN 169.A O no hydrogen 3.149 N/A GLU 174.A N SER 170.A O no hydrogen 2.998 N/A LEU 175.A N ALA 171.A O no hydrogen 2.850 N/A TYR 178.A N LEU 175.A O no hydrogen 2.953 N/A GLY 179.A N ALA 176.A O no hydrogen 2.998 N/A ILE 180.A N LEU 175.A O no hydrogen 3.288 N/A ARG 181.A N LEU 137.A O no hydrogen 3.177 N/A ARG 181.A NH1 LEU 227.A O no hydrogen 2.857 N/A ARG 181.A NH1 ILE 235.A O no hydrogen 3.104 N/A ARG 181.A NH2 ASN 136.A OD1 no hydrogen 3.083 N/A ARG 181.A NH2 LEU 227.A O no hydrogen 2.802 N/A VAL 182.A N THR 236.A OG1 no hydrogen 2.952 N/A ASN 183.A N ILE 139.A O no hydrogen 2.989 N/A ASN 183.A ND2 ILE 235.A O no hydrogen 2.960 N/A GLY 184.A N SER 238.A O no hydrogen 2.840 N/A VAL 185.A N ASN 141.A O no hydrogen 3.053 N/A ALA 186.A N ILE 240.A O no hydrogen 2.872 N/A SER 190.A OG ALA 215.A O no hydrogen 2.898 N/A MET 196.A N PRO 193.A O no hydrogen 3.198 N/A GLU 199.A N GLU 199.A OE1 no hydrogen 2.844 N/A LYS 201.A N GLY 197.A O no hydrogen 2.927 N/A LYS 201.A NZ MET 196.A O no hydrogen 2.864 N/A LYS 201.A NZ GLU 198.A OE2 no hydrogen 2.880 N/A ASP 202.A N GLU 198.A O no hydrogen 2.781 N/A LYS 203.A N GLU 199.A O no hydrogen 3.341 N/A TRP 204.A N GLU 200.A O no hydrogen 3.478 N/A ARG 205.A N LYS 201.A O no hydrogen 2.922 N/A ARG 205.A NE GLU 214.A OE1 no hydrogen 2.827 N/A ARG 205.A NE GLU 214.A OE2 no hydrogen 3.493 N/A ARG 205.A NH1 GLU 198.A OE1 no hydrogen 2.794 N/A ARG 205.A NH1 ASP 202.A OD1 no hydrogen 3.029 N/A ARG 205.A NH2 GLU 214.A OE2 no hydrogen 2.936 N/A ARG 206.A N ASP 202.A O no hydrogen 2.924 N/A LYS 207.A N TRP 204.A O no hydrogen 2.932 N/A VAL 208.A N ARG 205.A O no hydrogen 3.156 N/A LEU 210.A N GLY 244.A O no hydrogen 2.983 N/A GLY 211.A N PRO 209.A O no hydrogen 3.066 N/A ARG 212.A N VAL 208.A O no hydrogen 3.122 N/A ARG 212.A NH1 ARG 206.A O no hydrogen 2.753 N/A ARG 213.A NE GLY 211.A O no hydrogen 2.875 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.700 N/A ALA 215.A N VAL 189.A O no hydrogen 2.886 N/A SER 216.A N GLN 219.A OE1 no hydrogen 2.987 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.750 N/A GLN 219.A N SER 216.A OG no hydrogen 2.957 N/A ILE 220.A N SER 216.A O no hydrogen 3.339 N/A ALA 221.A N ALA 217.A O no hydrogen 2.877 N/A ASP 222.A N GLU 218.A O no hydrogen 2.850 N/A ALA 223.A N ILE 220.A O no hydrogen 3.116 N/A VAL 224.A N ILE 220.A O no hydrogen 3.383 N/A ILE 225.A N ALA 221.A O no hydrogen 2.936 N/A PHE 226.A N ASP 222.A O no hydrogen 3.040 N/A LEU 227.A N ALA 223.A O no hydrogen 3.044 N/A VAL 228.A N VAL 224.A O no hydrogen 2.934 N/A SER 229.A N PHE 226.A O no hydrogen 2.992 N/A SER 229.A OG PHE 226.A O no hydrogen 2.695 N/A SER 231.A N SER 229.A OG no hydrogen 3.033 N/A ALA 232.A N SER 229.A O no hydrogen 3.210 N/A ILE 235.A N ALA 232.A O no hydrogen 2.893 N/A THR 236.A OG1 VAL 182.A O no hydrogen 3.547 N/A GLY 237.A N VAL 182.A O no hydrogen 2.745 N/A SER 238.A N ASN 183.A OD1 no hydrogen 2.924 N/A ILE 240.A N GLY 184.A O no hydrogen 2.802 N/A LYS 241.A NZ SER 247.A OG no hydrogen 3.045 N/A VAL 242.A N ALA 186.A O no hydrogen 2.963 N/A GLY 245.A N ASP 243.A OD1 no hydrogen 2.906 N/A LEU 246.A N ASP 243.A O no hydrogen 2.948 N/A SER 247.A N ASP 243.A OD2 no hydrogen 3.000 N/A SER 247.A OG ASP 243.A OD2 no hydrogen 2.654 N/A LEU 248.A N GLY 245.A O no hydrogen 3.037 N/A VAL 249.A N LEU 246.A O no hydrogen 3.200 N/A HIS 250.A ND1 ALA 251.A OXT no hydrogen 2.615 N/A