Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a5w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ARG 220.A O no hydrogen 3.211 N/A ILE 3.A N VAL 222.A O no hydrogen 2.808 N/A ALA 5.A N VAL 224.A O no hydrogen 2.897 N/A LEU 6.A N HIS 47.A O no hydrogen 2.959 N/A LEU 8.A N VAL 49.A O no hydrogen 2.922 N/A ILE 9.A N THR 12.A O no hydrogen 2.839 N/A ASP 10.A N THR 52.A OG1 no hydrogen 3.021 N/A GLY 11.A N GLN 61.A OE1 no hydrogen 2.763 N/A THR 12.A N ILE 9.A O no hydrogen 2.914 N/A VAL 13.A N GLY 28.A O no hydrogen 2.877 N/A VAL 14.A N ASN 7.A O no hydrogen 2.922 N/A ARG 15.A N ARG 25.A O no hydrogen 2.881 N/A HIS 17.A N ARG 23.A O no hydrogen 3.019 N/A GLN 18.A N ALA 176.A O no hydrogen 2.767 N/A GLN 18.A NE2 SER 174.A O no hydrogen 2.889 N/A GLY 19.A N LEU 16.A O no hydrogen 3.460 N/A ASP 20.A N HIS 17.A O no hydrogen 2.984 N/A TYR 21.A OH LEU 51.A O no hydrogen 2.749 N/A ALA 22.A N ASP 20.A OD1 no hydrogen 2.868 N/A ARG 23.A N ASP 20.A O no hydrogen 2.950 N/A GLN 24.A NE2 TYR 21.A O no hydrogen 3.091 N/A ARG 25.A N ARG 15.A O no hydrogen 2.916 N/A TYR 27.A N VAL 13.A O no hydrogen 2.718 N/A ARG 34.A NH2 TYR 27.A O no hydrogen 2.972 N/A LEU 35.A N PRO 31.A O no hydrogen 2.978 N/A GLN 36.A N LEU 32.A O no hydrogen 2.955 N/A GLN 36.A NE2 GLY 71.A O no hydrogen 3.008 N/A ASP 37.A N PRO 33.A O no hydrogen 2.944 N/A TYR 38.A N ARG 34.A O no hydrogen 2.988 N/A ALA 39.A N LEU 35.A O no hydrogen 2.861 N/A ALA 40.A N GLN 36.A O no hydrogen 2.970 N/A GLN 41.A N ASP 37.A O no hydrogen 3.073 N/A GLN 41.A N TYR 38.A O no hydrogen 3.159 N/A GLY 42.A N ALA 39.A O no hydrogen 3.029 N/A ALA 43.A N TYR 38.A O no hydrogen 3.189 N/A LEU 46.A N PRO 75.A O no hydrogen 2.951 N/A HIS 47.A N PRO 4.A O no hydrogen 2.971 N/A LEU 48.A N GLN 77.A O no hydrogen 2.877 N/A VAL 49.A N LEU 6.A O no hydrogen 3.022 N/A ASP 50.A N GLY 79.A O no hydrogen 2.894 N/A LEU 51.A N LEU 8.A O no hydrogen 2.946 N/A GLY 53.A N ASP 50.A OD1 no hydrogen 2.875 N/A ALA 54.A N ASP 50.A O no hydrogen 2.920 N/A LYS 55.A N LEU 51.A O no hydrogen 3.141 N/A ASP 56.A N THR 52.A O no hydrogen 2.978 N/A ALA 58.A N ASP 56.A OD1 no hydrogen 2.959 N/A LYS 59.A N ASP 56.A O no hydrogen 2.836 N/A GLN 61.A N ASP 50.A OD2 no hydrogen 2.710 N/A GLN 61.A NE2 LEU 8.A O no hydrogen 2.984 N/A GLN 61.A NE2 ASP 50.A OD1 no hydrogen 2.807 N/A ILE 65.A N GLN 61.A O no hydrogen 3.078 N/A LYS 66.A N ILE 62.A O no hydrogen 3.139 N/A THR 67.A N PRO 63.A O.A no hydrogen 3.209 N/A THR 67.A N PRO 63.A O.B no hydrogen 3.163 N/A THR 67.A OG1 PRO 63.A O.A no hydrogen 3.083 N/A THR 67.A OG1 PRO 63.A O.B no hydrogen 3.138 N/A LEU 68.A N LEU 64.A O no hydrogen 3.066 N/A VAL 69.A N ILE 65.A O no hydrogen 2.943 N/A ALA 70.A N LYS 66.A O no hydrogen 3.020 N/A GLY 71.A N LEU 68.A O no hydrogen 3.141 N/A GLN 77.A N LEU 46.A O no hydrogen 2.810 N/A GLN 77.A NE2 HIS 47.A ND1 no hydrogen 2.993 N/A GLN 77.A NE2 GLN 200.A OE1 no hydrogen 2.864 N/A VAL 78.A N ARG 98.A O no hydrogen 3.150 N/A GLY 79.A N LEU 48.A O no hydrogen 2.997 N/A ARG 83.A N ASP 87.A OD2 no hydrogen 2.922 N/A ARG 83.A NH1 VAL 82.A O no hydrogen 2.929 N/A THR 84.A N ASP 87.A OD2 no hydrogen 3.051 N/A ASP 87.A N THR 84.A OG1 no hydrogen 2.968 N/A VAL 88.A N THR 84.A O no hydrogen 3.211 N/A ALA 89.A N GLU 85.A O no hydrogen 3.025 N/A ALA 90.A N GLU 86.A O no hydrogen 3.024 N/A LEU 91.A N ASP 87.A O no hydrogen 3.228 N/A LEU 92.A N VAL 88.A O no hydrogen 3.070 N/A LYS 93.A N ALA 89.A O no hydrogen 2.944 N/A ALA 94.A N ALA 90.A O no hydrogen 3.020 N/A ALA 94.A N LEU 91.A O no hydrogen 3.073 N/A GLY 95.A N LEU 92.A O no hydrogen 3.094 N/A VAL 96.A N LEU 91.A O no hydrogen 3.099 N/A ALA 97.A N VAL 76.A O no hydrogen 2.923 N/A ARG 98.A NE GLN 77.A OE1 no hydrogen 2.996 N/A ARG 98.A NH2 GLN 77.A OE1 no hydrogen 2.810 N/A VAL 99.A N ALA 123.A O no hydrogen 2.889 N/A VAL 100.A N VAL 78.A O no hydrogen 2.841 N/A ILE 101.A N VAL 125.A O no hydrogen 2.830 N/A THR 104.A OG1 VAL 82.A O no hydrogen 3.356 N/A ALA 105.A N GLY 102.A O no hydrogen 3.048 N/A VAL 106.A N SER 103.A O no hydrogen 3.148 N/A LYS 107.A N SER 103.A O no hydrogen 3.026 N/A SER 108.A N THR 104.A O no hydrogen 2.853 N/A VAL 112.A N SER 108.A O no hydrogen 3.059 N/A LYS 113.A N PRO 109.A O.A no hydrogen 2.911 N/A LYS 113.A N PRO 109.A O.B no hydrogen 2.873 N/A TRP 115.A N VAL 111.A O no hydrogen 3.327 N/A PHE 116.A N VAL 112.A O no hydrogen 3.104 N/A GLU 117.A N LYS 113.A O no hydrogen 3.233 N/A ARG 118.A N GLY 114.A O no hydrogen 3.034 N/A ARG 118.A NH1 GLU 85.A OE2 no hydrogen 2.745 N/A PHE 119.A N TRP 115.A O no hydrogen 2.825 N/A GLY 120.A N PHE 116.A O no hydrogen 2.931 N/A ALA 123.A N GLY 120.A O no hydrogen 3.248 N/A VAL 125.A N VAL 99.A O no hydrogen 2.876 N/A LEU 126.A N HIS 167.A O no hydrogen 3.034 N/A ALA 127.A N ILE 101.A O no hydrogen 2.787 N/A LEU 128.A N LEU 169.A O no hydrogen 2.765 N/A VAL 130.A N THR 171.A O no hydrogen 2.846 N/A ARG 131.A N GLN 139.A O no hydrogen 2.848 N/A ARG 131.A NH1.A TRP 145.A O no hydrogen 2.987 N/A ARG 131.A NH2.A TRP 145.A O no hydrogen 2.983 N/A ARG 131.A NH2.B TRP 145.A O no hydrogen 3.063 N/A ASP 133.A N THR 137.A O no hydrogen 3.102 N/A HIS 135.A N ASP 133.A OD1 no hydrogen 2.911 N/A GLY 136.A N ASP 133.A O no hydrogen 2.906 N/A THR 137.A N ASP 133.A OD1 no hydrogen 2.831 N/A LYS 138.A NZ GLU 154.A OE2 no hydrogen 2.766 N/A LYS 138.A NZ GLU 189.A OE2 no hydrogen 2.864 N/A GLN 139.A N ARG 131.A O no hydrogen 3.187 N/A VAL 140.A N VAL 151.A O no hydrogen 2.853 N/A ALA 141.A N ASP 129.A O no hydrogen 2.859 N/A VAL 142.A N GLU 147.A O no hydrogen 2.878 N/A SER 143.A N SER 103.A OG no hydrogen 2.805 N/A SER 143.A OG GLU 147.A OE2 no hydrogen 3.297 N/A TRP 145.A NE1 ASP 129.A OD2 no hydrogen 2.974 N/A GLN 146.A N SER 143.A O no hydrogen 3.010 N/A GLN 146.A NE2 SER 143.A O no hydrogen 2.890 N/A GLU 147.A N VAL 142.A O no hydrogen 3.004 N/A ASN 148.A ND2 GLN 139.A OE1 no hydrogen 2.918 N/A SER 149.A N.A VAL 140.A O no hydrogen 3.080 N/A SER 149.A N.B VAL 140.A O no hydrogen 3.095 N/A SER 149.A OG.A VAL 140.A O no hydrogen 2.661 N/A SER 149.A OG.B VAL 140.A O no hydrogen 2.708 N/A GLY 150.A N.A ASN 148.A OD1 no hydrogen 3.129 N/A GLY 150.A N.B ASN 148.A OD1 no hydrogen 2.845 N/A VAL 151.A N SER 149.A OG.A no hydrogen 3.071 N/A VAL 151.A N SER 149.A OG.B no hydrogen 2.962 N/A LEU 153.A N LYS 138.A O no hydrogen 2.887 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.763 N/A GLN 155.A N SER 152.A OG no hydrogen 3.010 N/A LEU 156.A N SER 152.A O no hydrogen 3.170 N/A VAL 157.A N LEU 153.A O no hydrogen 2.865 N/A GLU 158.A N GLU 154.A O no hydrogen 2.966 N/A THR 159.A N GLN 155.A O no hydrogen 3.005 N/A THR 159.A OG1 GLN 155.A O no hydrogen 2.781 N/A TYR 160.A N LEU 156.A O no hydrogen 3.292 N/A TYR 160.A N VAL 157.A O no hydrogen 3.206 N/A TYR 160.A OH ALA 105.A O no hydrogen 2.612 N/A LEU 161.A N VAL 157.A O no hydrogen 2.991 N/A VAL 163.A N TYR 160.A O no hydrogen 3.099 N/A GLY 164.A N LEU 161.A O no hydrogen 2.945 N/A LEU 165.A N TYR 160.A O no hydrogen 3.217 N/A HIS 167.A NE2 GLN 122.A OE1 no hydrogen 2.903 N/A VAL 168.A N ALA 198.A O no hydrogen 3.225 N/A LEU 169.A N LEU 126.A O no hydrogen 2.854 N/A CYS 170.A N GLN 200.A O no hydrogen 3.122 N/A CYS 170.A SG LEU 128.A O no hydrogen 3.529 N/A THR 171.A N ASP 129.A OD1 no hydrogen 2.960 N/A THR 171.A OG1 ASP 129.A OD1 no hydrogen 2.750 N/A THR 171.A OG1 SER 202.A OG no hydrogen 2.599 N/A ASP 172.A N SER 202.A O no hydrogen 3.301 N/A ILE 173.A N VAL 130.A O no hydrogen 3.030 N/A SER 174.A N ASP 172.A OD1 no hydrogen 3.037 N/A SER 174.A OG ASP 172.A OD1 no hydrogen 2.760 N/A ARG 175.A N ASP 172.A O no hydrogen 2.888 N/A ARG 175.A NH1 GLY 181.A O no hydrogen 2.982 N/A ALA 176.A N ASP 172.A O no hydrogen 3.247 N/A ALA 176.A N ILE 173.A O no hydrogen 3.233 N/A THR 178.A N ARG 175.A O no hydrogen 3.128 N/A THR 178.A OG1 ARG 175.A O no hydrogen 2.681 N/A ALA 180.A N THR 178.A OG1 no hydrogen 3.122 N/A GLY 181.A N GLY 204.A O no hydrogen 2.602 N/A SER 182.A OG GLY 203.A O no hydrogen 2.743 N/A ASN 183.A ND2 ASP 172.A OD2 no hydrogen 2.744 N/A LEU 186.A N ASN 183.A OD1 no hydrogen 3.164 N/A TYR 187.A N ASN 183.A O no hydrogen 3.350 N/A TYR 187.A OH CYS 170.A O no hydrogen 2.639 N/A GLU 188.A N VAL 184.A O no hydrogen 2.935 N/A GLU 189.A N SER 185.A O no hydrogen 3.075 N/A VAL 190.A N LEU 186.A O no hydrogen 2.968 N/A CYS 191.A N TYR 187.A O no hydrogen 2.897 N/A CYS 191.A SG TYR 187.A O no hydrogen 3.215 N/A ALA 192.A N GLU 188.A O no hydrogen 3.325 N/A ARG 193.A N GLU 189.A O no hydrogen 3.035 N/A TYR 194.A N VAL 190.A O no hydrogen 2.989 N/A TYR 194.A OH GLU 158.A OE2 no hydrogen 2.781 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.619 N/A ILE 197.A N TYR 194.A O no hydrogen 3.112 N/A ALA 198.A N LYS 166.A O no hydrogen 2.703 N/A GLN 200.A N VAL 168.A O no hydrogen 2.848 N/A GLN 200.A NE2 GLN 77.A OE1 no hydrogen 3.146 N/A SER 201.A N GLY 221.A O no hydrogen 2.899 N/A SER 201.A OG GLY 221.A O no hydrogen 3.489 N/A SER 202.A N TYR 187.A OH no hydrogen 3.104 N/A SER 202.A OG THR 171.A OG1 no hydrogen 2.599 N/A GLY 206.A N ASP 210.A OD2 no hydrogen 2.782 N/A ASP 207.A N ASP 210.A OD2 no hydrogen 3.357 N/A ASP 210.A N ASP 207.A O no hydrogen 3.024 N/A ASP 210.A N ASP 207.A OD1 no hydrogen 3.041 N/A ILE 211.A N ILE 208.A O no hydrogen 2.962 N/A ALA 212.A N ILE 208.A O no hydrogen 3.050 N/A ALA 213.A N ASP 209.A O no hydrogen 2.949 N/A LEU 214.A N ILE 211.A O no hydrogen 3.044 N/A ARG 215.A N ALA 212.A O no hydrogen 3.046 N/A ARG 215.A NE ALA 212.A O no hydrogen 3.247 N/A THR 217.A N LEU 214.A O no hydrogen 3.119 N/A THR 217.A OG1 LEU 214.A O no hydrogen 2.802 N/A VAL 219.A N THR 217.A OG1 no hydrogen 3.262 N/A ARG 220.A N PHE 199.A O no hydrogen 2.814 N/A GLY 221.A N PHE 199.A O no hydrogen 3.231 N/A VAL 222.A N MET 1.A O no hydrogen 2.849 N/A ILE 223.A N SER 201.A O no hydrogen 2.868 N/A VAL 224.A N ILE 3.A O no hydrogen 3.031 N/A ARG 226.A NE GLU 230.A OE2 no hydrogen 2.567 N/A ARG 226.A NH1 GLY 177.A O no hydrogen 2.720 N/A ARG 226.A NH2 GLU 230.A OE2 no hydrogen 2.771 N/A LEU 228.A N GLY 225.A O no hydrogen 3.121 N/A LEU 229.A N GLY 225.A O no hydrogen 3.345 N/A GLU 230.A N ARG 226.A O no hydrogen 2.972 N/A GLY 231.A N LEU 228.A O no hydrogen 3.222 N/A LYS 232.A N ALA 227.A O no hydrogen 2.973 N/A THR 234.A N GLU 237.A OE1 no hydrogen 2.960 N/A GLU 237.A N THR 234.A OG1 no hydrogen 3.088 N/A ALA 238.A N THR 234.A O no hydrogen 2.984 N/A ILE 239.A N VAL 235.A O no hydrogen 2.883 N/A GLN 240.A N LYS 236.A O no hydrogen 3.019 N/A CYS 241.A N GLU 237.A O no hydrogen 3.006 N/A CYS 241.A SG ILE 208.A O no hydrogen 3.852 N/A TRP 242.A N ALA 238.A O no hydrogen 2.999 N/A GLN 243.A N ILE 239.A O no hydrogen 2.802 N/A ASN 244.A N GLN 240.A O no hydrogen 3.075 N/A ASN 244.A ND2 GLN 240.A OE1 no hydrogen 3.409 N/A VAL 245.A N CYS 241.A O no hydrogen 2.998 N/A