Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e61_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N GLN 31.A O no hydrogen 2.729 N/A GLY 3.A N GLY 58.A O no hydrogen 3.070 N/A LEU 4.A N LEU 33.A O no hydrogen 2.703 N/A LEU 5.A N ILE 60.A O no hydrogen 2.881 N/A LEU 6.A N GLY 35.A O no hydrogen 2.813 N/A MET 9.A N ASN 36.A OD1 no hydrogen 3.130 N/A SER 10.A N ASP 8.A OD1 no hydrogen 3.044 N/A SER 10.A OG ASP 8.A OD1 no hydrogen 2.684 N/A ASN 11.A N ASP 8.A O no hydrogen 3.054 N/A PHE 13.A N ASN 11.A OD1 no hydrogen 3.078 N/A THR 15.A N ASN 11.A O no hydrogen 3.199 N/A THR 15.A OG1 PRO 12.A O no hydrogen 2.995 N/A LEU 16.A N PRO 12.A O no hydrogen 3.003 N/A ILE 17.A N PHE 13.A O no hydrogen 3.104 N/A ALA 18.A N PHE 14.A O no hydrogen 2.968 N/A ARG 19.A N THR 15.A O no hydrogen 3.140 N/A ARG 19.A N LEU 16.A O no hydrogen 3.173 N/A GLY 20.A N LEU 16.A O no hydrogen 3.121 N/A VAL 21.A N ILE 17.A O no hydrogen 2.990 N/A GLU 22.A N ALA 18.A O no hydrogen 2.864 N/A ASP 23.A N ARG 19.A O no hydrogen 2.900 N/A VAL 24.A N GLY 20.A O no hydrogen 3.365 N/A ALA 25.A N VAL 21.A O no hydrogen 2.934 N/A LEU 26.A N GLU 22.A O no hydrogen 2.930 N/A ALA 27.A N ASP 23.A O no hydrogen 3.056 N/A HIS 28.A N VAL 24.A O no hydrogen 3.260 N/A HIS 28.A N ALA 25.A O no hydrogen 3.089 N/A HIS 28.A ND1 VAL 24.A O no hydrogen 3.088 N/A GLY 29.A N LEU 26.A O no hydrogen 3.296 N/A TYR 30.A N ALA 25.A O no hydrogen 2.810 N/A LEU 33.A N ILE 2.A O no hydrogen 2.579 N/A GLY 35.A N LEU 4.A O no hydrogen 2.941 N/A SER 37.A N LEU 6.A O no hydrogen 2.956 N/A SER 37.A OG LEU 6.A O no hydrogen 3.562 N/A ASP 38.A N ASN 36.A OD1 no hydrogen 3.400 N/A ASN 39.A N SER 37.A OG no hydrogen 3.205 N/A ASP 40.A N SER 37.A O no hydrogen 2.810 N/A LYS 43.A N ASP 40.A OD1 no hydrogen 3.077 N/A LYS 43.A NZ ASP 38.A OD2 no hydrogen 3.520 N/A ALA 44.A N ASP 40.A O no hydrogen 2.918 N/A GLN 45.A N ILE 41.A O no hydrogen 3.071 N/A GLY 46.A N LYS 42.A O no hydrogen 2.941 N/A TYR 47.A N LYS 43.A O no hydrogen 2.983 N/A LEU 48.A N ALA 44.A O no hydrogen 2.971 N/A ALA 49.A N GLN 45.A O no hydrogen 3.009 N/A THR 50.A N GLY 46.A O no hydrogen 3.113 N/A THR 50.A OG1 GLY 46.A O no hydrogen 3.546 N/A PHE 51.A N TYR 47.A O no hydrogen 2.868 N/A VAL 52.A N LEU 48.A O no hydrogen 3.082 N/A SER 53.A N ALA 49.A O no hydrogen 2.912 N/A HIS 54.A N THR 50.A O no hydrogen 2.983 N/A ASN 55.A N VAL 52.A O no hydrogen 3.045 N/A CYS 56.A N PHE 51.A O no hydrogen 3.118 N/A CYS 56.A SG PHE 51.A O no hydrogen 3.301 N/A THR 57.A N LEU 1.A O no hydrogen 2.717 N/A MET 59.A N PRO 78.A O no hydrogen 2.893 N/A ILE 60.A N GLY 3.A O no hydrogen 2.744 N/A SER 61.A N VAL 80.A O no hydrogen 3.034 N/A SER 61.A OG THR 62.A O no hydrogen 3.152 N/A ALA 63.A N ASP 83.A OD1 no hydrogen 3.003 N/A ASN 65.A N THR 62.A O no hydrogen 3.085 N/A GLU 66.A N ALA 63.A O no hydrogen 3.288 N/A ILE 69.A N ASN 65.A O no hydrogen 3.111 N/A GLU 70.A N GLU 66.A O no hydrogen 2.793 N/A ASN 71.A N ASN 67.A O no hydrogen 3.117 N/A THR 72.A N ILE 68.A O no hydrogen 2.944 N/A LEU 73.A N ILE 69.A O no hydrogen 2.948 N/A LEU 73.A N GLU 70.A O no hydrogen 3.088 N/A THR 74.A N GLU 70.A O no hydrogen 3.131 N/A THR 74.A OG1 GLU 70.A O no hydrogen 3.123 N/A ASP 75.A N ASN 71.A O no hydrogen 2.906 N/A HIS 76.A N THR 72.A O no hydrogen 3.130 N/A VAL 80.A N MET 59.A O no hydrogen 2.857 N/A ILE 82.A N SER 61.A O no hydrogen 2.687 N/A ARG 84.A N PHE 81.A O no hydrogen 2.838 N/A HIS 87.A NE2 ASP 83.A O no hydrogen 3.207 N/A LYS 89.A N ASN 86.A OD1 no hydrogen 2.970 N/A GLY 90.A N ASN 86.A O no hydrogen 3.164 N/A GLY 91.A N HIS 87.A O no hydrogen 2.999 N/A GLN 92.A N PHE 88.A O no hydrogen 3.081 N/A LEU 93.A N LYS 89.A O no hydrogen 3.078 N/A GLN 94.A N GLY 90.A O no hydrogen 3.058 N/A GLN 94.A NE2 CYS 161.A O no hydrogen 3.000 N/A GLN 94.A NE2 GLY 189.A O no hydrogen 2.915 N/A ALA 95.A N GLY 91.A O no hydrogen 3.148 N/A GLU 96.A N GLN 92.A O no hydrogen 2.921 N/A VAL 97.A N LEU 93.A O no hydrogen 3.168 N/A VAL 98.A N GLN 94.A O no hydrogen 3.190 N/A ARG 99.A N ALA 95.A O no hydrogen 3.016 N/A LYS 100.A N GLU 96.A O no hydrogen 2.830 N/A GLY 101.A N VAL 97.A O no hydrogen 2.979 N/A LYS 102.A N ARG 99.A O no hydrogen 2.829 N/A GLY 103.A N VAL 98.A O no hydrogen 2.953 N/A LYS 104.A N ASP 157.A OD1 no hydrogen 3.112 N/A LYS 104.A N ASP 157.A OD2 no hydrogen 2.974 N/A ASN 105.A N ASP 157.A OD2 no hydrogen 2.916 N/A ASN 105.A ND2 SER 155.A O no hydrogen 3.408 N/A VAL 106.A N ASP 132.A O no hydrogen 2.998 N/A LEU 107.A N SER 158.A O no hydrogen 2.801 N/A ILE 108.A N LYS 134.A O no hydrogen 2.879 N/A VAL 109.A N ILE 160.A O no hydrogen 2.777 N/A HIS 110.A N LEU 136.A O no hydrogen 2.993 N/A HIS 110.A ND1 GLU 111.A O no hydrogen 2.916 N/A GLU 111.A N SER 162.A OG no hydrogen 2.943 N/A LEU 114.A N ASN 112.A OD1 no hydrogen 2.791 N/A ILE 115.A N ASN 112.A O no hydrogen 3.055 N/A HIS 119.A N ILE 115.A O no hydrogen 3.032 N/A GLN 120.A N ASP 116.A O no hydrogen 2.760 N/A ARG 121.A N ALA 117.A O no hydrogen 3.123 N/A ARG 121.A NH1 SER 162.A O no hydrogen 2.729 N/A ARG 121.A NH2 HIS 87.A ND1 no hydrogen 3.161 N/A VAL 122.A N PHE 118.A O no hydrogen 3.112 N/A GLN 123.A N HIS 119.A O no hydrogen 2.938 N/A GLY 124.A N GLN 120.A O no hydrogen 3.052 N/A ILE 125.A N ARG 121.A O no hydrogen 3.015 N/A LYS 126.A N VAL 122.A O no hydrogen 3.018 N/A TYR 127.A N GLN 123.A O no hydrogen 3.064 N/A ILE 128.A N GLY 124.A O no hydrogen 3.464 N/A LEU 129.A N ILE 125.A O no hydrogen 2.846 N/A ASP 130.A N LYS 126.A O no hydrogen 2.685 N/A GLN 131.A N TYR 127.A O no hydrogen 3.216 N/A TYR 133.A OH ASP 130.A OD1 no hydrogen 2.828 N/A TYR 133.A OH ASP 130.A OD2 no hydrogen 3.131 N/A LYS 134.A N VAL 106.A O no hydrogen 3.025 N/A LEU 136.A N ILE 108.A O no hydrogen 2.862 N/A ALA 138.A N HIS 110.A O no hydrogen 2.808 N/A LEU 140.A N GLU 137.A O no hydrogen 3.073 N/A LEU 141.A N ALA 138.A O no hydrogen 3.084 N/A ASP 142.A N THR 139.A O no hydrogen 3.229 N/A PHE 147.A N ASN 143.A O no hydrogen 3.062 N/A ILE 148.A N ASP 144.A O no hydrogen 2.957 N/A ASP 149.A N LYS 145.A O no hydrogen 2.951 N/A LEU 150.A N LYS 146.A O no hydrogen 2.938 N/A ILE 151.A N PHE 147.A O no hydrogen 2.999 N/A LYS 152.A N ILE 148.A O no hydrogen 2.937 N/A GLU 153.A N ASP 149.A O no hydrogen 2.937 N/A LEU 154.A N LEU 150.A O no hydrogen 2.917 N/A SER 155.A N LYS 152.A O no hydrogen 3.083 N/A ILE 156.A N ILE 151.A O no hydrogen 2.933 N/A ASP 157.A N ASN 105.A O no hydrogen 2.942 N/A SER 158.A N ASN 105.A O no hydrogen 3.307 N/A SER 158.A OG ASP 157.A OD1 no hydrogen 2.671 N/A ILE 159.A N GLN 186.A O no hydrogen 2.765 N/A ILE 160.A N LEU 107.A O no hydrogen 2.811 N/A CYS 161.A N ILE 188.A O no hydrogen 3.029 N/A SER 162.A N VAL 109.A O no hydrogen 3.144 N/A ASP 164.A N TYR 190.A O no hydrogen 2.905 N/A LEU 166.A N ASN 163.A OD1 no hydrogen 3.193 N/A ALA 167.A N ASN 163.A O no hydrogen 3.174 N/A ILE 168.A N ASP 164.A O no hydrogen 2.883 N/A ASN 169.A N LEU 165.A O no hydrogen 3.175 N/A VAL 170.A N LEU 166.A O no hydrogen 2.872 N/A LEU 171.A N ALA 167.A O no hydrogen 2.785 N/A GLY 172.A N ILE 168.A O no hydrogen 3.185 N/A ILE 173.A N ASN 169.A O no hydrogen 3.079 N/A VAL 174.A N VAL 170.A O no hydrogen 3.020 N/A GLN 175.A N LEU 171.A O no hydrogen 2.928 N/A GLN 175.A NE2 TYR 200.A O no hydrogen 3.364 N/A ARG 176.A N GLY 172.A O no hydrogen 3.002 N/A ARG 176.A NH1 ASP 144.A OD2 no hydrogen 3.406 N/A TYR 177.A N ILE 173.A O no hydrogen 3.150 N/A HIS 178.A N GLN 175.A O no hydrogen 3.009 N/A PHE 179.A N VAL 174.A O no hydrogen 3.041 N/A LYS 180.A N GLU 184.A OE1 no hydrogen 2.912 N/A GLU 184.A N LYS 180.A O no hydrogen 2.880 N/A ILE 185.A N LYS 180.A O no hydrogen 3.054 N/A GLN 186.A N ASP 157.A O no hydrogen 2.876 N/A GLN 186.A NE2 VAL 98.A O no hydrogen 3.136 N/A GLN 186.A NE2 SER 158.A OG no hydrogen 3.062 N/A ILE 187.A N SER 231.A O no hydrogen 2.850 N/A ILE 188.A N ILE 159.A O no hydrogen 3.022 N/A GLY 189.A N THR 204.A O no hydrogen 2.950 N/A ASP 191.A N ILE 206.A O no hydrogen 2.828 N/A ASN 192.A N THR 205.A OG1 no hydrogen 3.265 N/A ASN 192.A ND2 ASP 207.A OD1 no hydrogen 2.871 N/A ILE 193.A N ASP 164.A OD2 no hydrogen 2.947 N/A SER 196.A N ILE 193.A O no hydrogen 2.948 N/A SER 196.A OG ASN 192.A OD1 no hydrogen 3.186 N/A SER 196.A OG ILE 193.A O no hydrogen 2.626 N/A GLU 197.A N PRO 194.A O no hydrogen 3.034 N/A MET 198.A N PHE 195.A O no hydrogen 2.890 N/A THR 199.A OG1 PRO 201.A O no hydrogen 2.688 N/A GLN 202.A NE2 GLU 197.A O no hydrogen 2.781 N/A ILE 203.A N SER 196.A O no hydrogen 2.872 N/A THR 204.A N SER 231.A OG no hydrogen 2.740 N/A THR 204.A OG1 THR 232.A OG1 no hydrogen 2.608 N/A THR 205.A N LYS 227.A O no hydrogen 3.158 N/A THR 205.A OG1 ASP 164.A OD1 no hydrogen 2.573 N/A THR 205.A OG1 ASP 164.A OD2 no hydrogen 3.287 N/A ASP 207.A N THR 225.A O no hydrogen 2.928 N/A GLN 208.A NE2 ASP 191.A OD1 no hydrogen 2.820 N/A SER 209.A N ASP 207.A OD2 no hydrogen 3.298 N/A SER 209.A OG ASP 207.A OD2 no hydrogen 3.431 N/A TYR 211.A OH ASP 23.A OD2 no hydrogen 2.351 N/A HIS 212.A ND1 GLU 215.A OE1 no hydrogen 3.335 N/A LEU 213.A N SER 209.A O no hydrogen 2.770 N/A GLY 214.A N ALA 210.A O no hydrogen 3.129 N/A GLU 215.A N TYR 211.A O no hydrogen 3.121 N/A ILE 216.A N HIS 212.A O no hydrogen 2.960 N/A ALA 217.A N LEU 213.A O no hydrogen 2.926 N/A VAL 218.A N GLY 214.A O no hydrogen 3.162 N/A SER 219.A N GLU 215.A O no hydrogen 3.069 N/A SER 219.A OG GLU 215.A O no hydrogen 2.779 N/A GLN 220.A N ILE 216.A O no hydrogen 2.815 N/A LEU 221.A N ALA 217.A O no hydrogen 3.225 N/A LEU 222.A N SER 219.A O no hydrogen 3.183 N/A THR 225.A N ASP 207.A O no hydrogen 3.415 N/A LYS 227.A N THR 205.A O no hydrogen 2.821 N/A ARG 229.A N THR 204.A OG1 no hydrogen 2.766 N/A ARG 229.A NH1 ASN 192.A OD1 no hydrogen 3.399 N/A ARG 229.A NH1 SER 196.A OG no hydrogen 2.845 N/A ARG 229.A NH1 ILE 203.A O no hydrogen 3.099 N/A ARG 229.A NH2 ASN 192.A OD1 no hydrogen 2.739 N/A SER 231.A OG ILE 187.A O no hydrogen 2.648 N/A THR 232.A OG1 THR 204.A OG1 no hydrogen 2.608 N/A ARG 233.A N GLN 186.A OE1 no hydrogen 2.838 N/A ARG 233.A NE GLY 101.A O no hydrogen 2.917 N/A ARG 233.A NH1 ASP 157.A O no hydrogen 3.028 N/A ARG 233.A NH1 PRO 182.A O no hydrogen 3.001 N/A ARG 233.A NH2 GLY 101.A O no hydrogen 3.283 N/A ARG 233.A NH2 ASP 157.A O no hydrogen 3.349 N/A ARG 233.A NH2 ASP 157.A OD1 no hydrogen 3.146 N/A