Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7cca_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N GLY 3.A O no hydrogen 3.025 N/A GLN 6.A NE2 MET 1.A O no hydrogen 2.956 N/A TYR 7.A OH VAL 194.A O no hydrogen 2.650 N/A LEU 8.A N GLU 4.A O no hydrogen 3.090 N/A ASN 9.A N HIS 5.A O no hydrogen 2.777 N/A LEU 10.A N GLN 6.A O no hydrogen 3.148 N/A VAL 11.A N TYR 7.A O no hydrogen 3.112 N/A ARG 12.A N LEU 8.A O no hydrogen 2.955 N/A GLU 13.A N ASN 9.A O no hydrogen 2.925 N/A ILE 14.A N LEU 10.A O no hydrogen 3.119 N/A LEU 15.A N VAL 11.A O no hydrogen 3.048 N/A GLU 16.A N ARG 12.A O no hydrogen 2.752 N/A ARG 17.A N GLU 13.A O no hydrogen 2.781 N/A GLY 18.A N ILE 14.A O no hydrogen 2.802 N/A VAL 19.A N SER 31.A O no hydrogen 2.897 N/A LYS 21.A N THR 29.A O no hydrogen 2.988 N/A LYS 21.A NZ ASP 229.A OD2 no hydrogen 3.029 N/A THR 25.A N ASP 23.A OD1 no hydrogen 2.783 N/A THR 29.A N LYS 21.A O no hydrogen 3.207 N/A THR 29.A OG1 LYS 21.A O no hydrogen 3.125 N/A LEU 30.A N ILE 232.A O no hydrogen 2.991 N/A SER 31.A N VAL 19.A O no hydrogen 2.971 N/A SER 31.A OG ASP 229.A OD1 no hydrogen 3.341 N/A ILE 32.A N ALA 230.A O no hydrogen 3.053 N/A GLY 34.A N GLY 228.A O no hydrogen 2.987 N/A GLN 36.A NE2 THR 226.A OG1 no hydrogen 2.955 N/A MET 37.A N LEU 225.A O no hydrogen 2.919 N/A ARG 38.A N GLN 6.A OE1 no hydrogen 3.130 N/A ARG 38.A NE GLU 222.A OE1 no hydrogen 3.256 N/A ARG 38.A NH1 GLN 36.A OE1 no hydrogen 3.507 N/A ARG 38.A NH2 GLU 222.A OE1 no hydrogen 3.292 N/A PHE 39.A N PHE 223.A O no hydrogen 2.824 N/A LEU 41.A N GLY 221.A O no hydrogen 2.821 N/A ARG 42.A N SER 40.A OG no hydrogen 3.354 N/A ARG 42.A NE GLU 182.A OE1 no hydrogen 2.975 N/A ARG 42.A NE GLU 182.A OE2 no hydrogen 3.265 N/A ARG 42.A NH1 SER 40.A OG no hydrogen 3.142 N/A ARG 42.A NH2 GLU 182.A OE1 no hydrogen 3.196 N/A THR 45.A N ARG 42.A O no hydrogen 3.017 N/A THR 45.A OG1 ARG 42.A O no hydrogen 2.772 N/A ILE 46.A N PRO 252.A O no hydrogen 3.333 N/A VAL 48.A N ILE 46.A O no hydrogen 2.675 N/A THR 50.A N GLU 4.A OE1 no hydrogen 3.097 N/A THR 50.A N GLU 4.A OE2 no hydrogen 3.234 N/A THR 50.A OG1 GLU 4.A OE1 no hydrogen 2.765 N/A THR 50.A OG1 ARG 249.A O no hydrogen 3.286 N/A THR 51.A N GLU 4.A OE2 no hydrogen 2.981 N/A THR 51.A OG1 GLU 4.A OE2 no hydrogen 2.773 N/A LYS 52.A NZ GLY 195.A O no hydrogen 2.902 N/A LYS 52.A NZ GLN 284.A OE1 no hydrogen 3.510 N/A ILE 54.A N TYR 276.A OH no hydrogen 2.909 N/A ARG 57.A NH1 LYS 79.A O no hydrogen 2.750 N/A ARG 57.A NH2 LYS 79.A O no hydrogen 3.114 N/A ARG 57.A NH2 LYS 80.A O no hydrogen 3.561 N/A VAL 59.A N PHE 55.A O no hydrogen 3.110 N/A VAL 60.A N TRP 56.A O no hydrogen 2.938 N/A GLU 61.A N ARG 57.A O no hydrogen 2.972 N/A GLU 62.A N GLY 58.A O no hydrogen 2.963 N/A LEU 63.A N VAL 59.A O no hydrogen 3.023 N/A LEU 64.A N VAL 60.A O no hydrogen 2.959 N/A TRP 65.A N GLU 61.A O no hydrogen 3.049 N/A TRP 65.A NE1 ASP 72.A O no hydrogen 3.080 N/A PHE 66.A N GLU 62.A O no hydrogen 2.874 N/A ILE 67.A N LEU 63.A O no hydrogen 2.755 N/A ARG 68.A N LEU 64.A O no hydrogen 2.921 N/A ARG 68.A NE ASN 70.A OD1 no hydrogen 3.179 N/A GLY 69.A N PHE 66.A O no hydrogen 2.866 N/A ASN 70.A N TRP 65.A O no hydrogen 3.254 N/A THR 71.A OG1 TYR 121.A OH no hydrogen 2.780 N/A ALA 73.A N GLY 104.A O no hydrogen 2.646 N/A LYS 74.A N ASP 72.A OD1 no hydrogen 2.979 N/A LYS 74.A NZ ASP 72.A OD1 no hydrogen 3.206 N/A LYS 74.A NZ GLU 103.A O no hydrogen 3.028 N/A GLU 75.A N ASP 72.A O no hydrogen 3.313 N/A LEU 76.A N ALA 73.A O no hydrogen 3.067 N/A ALA 77.A N ALA 73.A O no hydrogen 3.108 N/A LYS 78.A N LYS 74.A O no hydrogen 3.017 N/A LYS 79.A N LEU 76.A O no hydrogen 3.189 N/A LYS 80.A N ALA 77.A O no hydrogen 2.966 N/A ILE 81.A N LEU 76.A O no hydrogen 2.817 N/A TRP 84.A NE1 GLU 62.A OE2 no hydrogen 3.008 N/A ASN 85.A N HIS 82.A O no hydrogen 3.298 N/A GLY 88.A N ASN 85.A O no hydrogen 3.103 N/A SER 89.A N ALA 86.A O no hydrogen 3.161 N/A SER 89.A OG ALA 86.A O no hydrogen 2.627 N/A ARG 90.A N GLU 103.A OE2 no hydrogen 2.991 N/A ARG 90.A NE ASP 94.A OD1 no hydrogen 3.161 N/A ARG 90.A NE ASP 94.A OD2 no hydrogen 3.081 N/A ARG 90.A NH1 ARG 101.A O no hydrogen 2.770 N/A ARG 90.A NH2 ASP 94.A OD1 no hydrogen 2.814 N/A ARG 90.A NH2 LEU 98.A O no hydrogen 3.419 N/A ARG 90.A NH2 ARG 101.A O no hydrogen 3.203 N/A PHE 92.A N SER 89.A OG no hydrogen 3.411 N/A LEU 93.A N SER 89.A O no hydrogen 3.051 N/A ASP 94.A N ARG 90.A O no hydrogen 3.077 N/A SER 95.A N GLU 91.A O no hydrogen 2.954 N/A SER 95.A OG PHE 92.A O no hydrogen 2.823 N/A ARG 96.A N LEU 93.A O no hydrogen 3.186 N/A ARG 96.A NH2 LEU 162.A O no hydrogen 3.492 N/A GLY 97.A N ASP 94.A O no hydrogen 2.856 N/A LEU 98.A N LEU 93.A O no hydrogen 2.836 N/A ARG 101.A N LEU 98.A O no hydrogen 3.204 N/A ARG 101.A NH1 ASP 105.A O no hydrogen 3.244 N/A ARG 101.A NH1 LEU 164.A O no hydrogen 3.218 N/A ARG 101.A NH2 LEU 164.A O no hydrogen 2.966 N/A GLY 104.A N GLY 88.A O no hydrogen 2.535 N/A ASP 105.A N ALA 102.A O no hydrogen 2.958 N/A LEU 106.A N THR 71.A O no hydrogen 3.300 N/A GLY 107.A N ASP 105.A OD1 no hydrogen 3.406 N/A VAL 109.A N GLY 107.A O no hydrogen 2.766 N/A PHE 112.A N VAL 109.A O no hydrogen 2.869 N/A GLN 113.A NE2 PRO 108.A O no hydrogen 2.926 N/A GLN 113.A NE2 ASP 161.A OD2 no hydrogen 2.939 N/A TRP 114.A N TYR 110.A O no hydrogen 2.990 N/A ARG 115.A N GLY 111.A O no hydrogen 3.042 N/A ARG 115.A NE ASP 134.A OD1 no hydrogen 2.768 N/A ARG 115.A NE ASP 134.A OD2 no hydrogen 3.475 N/A ARG 115.A NH1 ILE 67.A O no hydrogen 2.592 N/A ARG 115.A NH1 GLU 264.A OE1 no hydrogen 3.246 N/A ARG 115.A NH2 ASP 134.A OD1 no hydrogen 3.569 N/A ARG 115.A NH2 ASP 134.A OD2 no hydrogen 3.070 N/A ARG 115.A NH2 GLU 264.A OE1 no hydrogen 3.113 N/A HIS 116.A ND1 LYS 131.A O no hydrogen 2.671 N/A PHE 117.A N ILE 133.A O no hydrogen 3.025 N/A ALA 119.A N HIS 116.A O no hydrogen 3.033 N/A TYR 121.A OH THR 71.A OG1 no hydrogen 2.780 N/A TYR 121.A OH ASP 105.A OD1 no hydrogen 2.549 N/A ASP 122.A N TYR 128.A OH no hydrogen 2.901 N/A THR 123.A N SER 126.A OG no hydrogen 3.221 N/A THR 123.A OG1 SER 125.A OG no hydrogen 3.232 N/A THR 123.A OG1 SER 126.A OG no hydrogen 3.371 N/A CYS 124.A N ASP 105.A OD2 no hydrogen 2.798 N/A SER 125.A N THR 123.A OG1 no hydrogen 3.271 N/A SER 125.A OG THR 123.A OG1 no hydrogen 3.232 N/A SER 126.A N THR 123.A O no hydrogen 3.072 N/A SER 126.A OG THR 123.A O no hydrogen 3.253 N/A SER 126.A OG THR 123.A OG1 no hydrogen 3.371 N/A TYR 128.A OH THR 123.A O no hydrogen 2.725 N/A THR 129.A N ASP 127.A OD1 no hydrogen 3.184 N/A THR 129.A OG1 ASP 127.A OD1 no hydrogen 2.991 N/A LYS 131.A N TYR 128.A O no hydrogen 2.801 N/A ILE 133.A N PHE 117.A O no hydrogen 2.863 N/A GLN 135.A NE2 GLN 113.A O no hydrogen 2.832 N/A GLN 135.A NE2 THR 155.A O no hydrogen 2.702 N/A LEU 136.A N TRP 114.A O no hydrogen 3.322 N/A ALA 137.A N ASP 134.A OD1 no hydrogen 3.108 N/A ASN 138.A N ASP 134.A O no hydrogen 3.091 N/A ILE 139.A N GLN 135.A O no hydrogen 3.036 N/A LEU 140.A N LEU 136.A O no hydrogen 2.942 N/A LYS 141.A N ALA 137.A O no hydrogen 3.012 N/A THR 142.A N ASN 138.A O no hydrogen 2.970 N/A THR 142.A OG1 ASN 138.A O no hydrogen 2.747 N/A LEU 143.A N ILE 139.A O no hydrogen 2.847 N/A ARG 144.A N LEU 140.A O no hydrogen 3.392 N/A ARG 144.A NH1 MET 215.A O no hydrogen 3.164 N/A GLU 145.A N LYS 141.A O no hydrogen 3.024 N/A ASN 146.A N THR 142.A O no hydrogen 2.695 N/A ASP 149.A N ASN 146.A O no hydrogen 3.173 N/A ARG 151.A N ASP 149.A OD2 no hydrogen 3.133 N/A ILE 153.A N ARG 151.A O no hydrogen 2.920 N/A MET 154.A N ALA 174.A O no hydrogen 2.863 N/A THR 155.A N GLN 135.A OE1 no hydrogen 2.926 N/A THR 155.A OG1 MET 172.A O no hydrogen 3.051 N/A THR 155.A OG1 THR 173.A OG1 no hydrogen 2.979 N/A ALA 156.A N MET 172.A O no hydrogen 2.776 N/A TRP 157.A N THR 155.A OG1 no hydrogen 3.125 N/A ASN 158.A ND2 GLN 113.A OE1 no hydrogen 2.928 N/A ASP 161.A N ASN 158.A O no hydrogen 2.851 N/A LEU 164.A N ASP 161.A O no hydrogen 2.997 N/A MET 165.A N LEU 162.A O no hydrogen 3.081 N/A ALA 166.A N LEU 106.A O no hydrogen 2.825 N/A CYS 170.A N TYR 110.A OH no hydrogen 3.104 N/A CYS 170.A SG SER 191.A O no hydrogen 3.324 N/A MET 172.A N TYR 188.A O no hydrogen 3.156 N/A THR 173.A N TYR 188.A O no hydrogen 3.442 N/A THR 173.A OG1 THR 155.A OG1 no hydrogen 2.979 N/A ALA 174.A N MET 154.A O no hydrogen 2.844 N/A GLN 175.A N GLN 186.A O no hydrogen 2.826 N/A PHE 176.A N MET 152.A O no hydrogen 2.947 N/A TYR 177.A N SER 184.A O no hydrogen 3.053 N/A ALA 179.A N GLU 182.A O no hydrogen 3.251 N/A GLU 182.A N ALA 179.A O no hydrogen 2.963 N/A LEU 183.A N LYS 219.A O no hydrogen 2.718 N/A SER 184.A N TYR 177.A O no hydrogen 2.774 N/A CYS 185.A N GLU 222.A O no hydrogen 3.030 N/A CYS 185.A SG GLN 175.A O no hydrogen 3.960 N/A GLN 186.A N GLN 175.A O no hydrogen 2.903 N/A LEU 187.A N ILE 224.A O no hydrogen 2.928 N/A TYR 188.A N THR 173.A O no hydrogen 2.747 N/A GLN 189.A N THR 226.A O no hydrogen 2.929 N/A GLN 189.A NE2 SER 191.A O no hydrogen 3.160 N/A GLN 189.A NE2 ASN 201.A OD1 no hydrogen 2.873 N/A ARG 190.A N CYS 170.A O no hydrogen 3.099 N/A ARG 190.A NE PRO 169.A O no hydrogen 2.580 N/A ARG 190.A NH2 PRO 168.A O no hydrogen 3.309 N/A ARG 190.A NH2 PRO 169.A O no hydrogen 3.255 N/A GLY 192.A N ASP 229.A O no hydrogen 2.934 N/A VAL 194.A N HIS 231.A O no hydrogen 3.031 N/A LEU 196.A N ASP 193.A OD1 no hydrogen 3.351 N/A GLY 197.A N ASP 193.A O no hydrogen 2.957 N/A VAL 198.A N ASP 193.A O no hydrogen 3.014 N/A ASN 201.A N GLY 197.A O no hydrogen 2.958 N/A ILE 202.A N VAL 198.A O no hydrogen 2.949 N/A ALA 203.A N PRO 199.A O no hydrogen 3.412 N/A SER 204.A N PHE 200.A O no hydrogen 2.891 N/A TYR 205.A N ASN 201.A O no hydrogen 3.040 N/A SER 206.A N ILE 202.A O no hydrogen 3.115 N/A SER 206.A OG ILE 202.A O no hydrogen 2.637 N/A LEU 207.A N ALA 203.A O no hydrogen 2.974 N/A LEU 208.A N SER 204.A O no hydrogen 2.986 N/A THR 209.A N TYR 205.A O no hydrogen 2.972 N/A THR 209.A OG1 TYR 205.A O no hydrogen 2.644 N/A HIS 210.A N SER 206.A O no hydrogen 3.006 N/A HIS 210.A NE2 THR 45.A O no hydrogen 2.719 N/A LEU 211.A N LEU 207.A O no hydrogen 2.780 N/A MET 212.A N LEU 208.A O no hydrogen 2.842 N/A ALA 213.A N THR 209.A O no hydrogen 2.939 N/A SER 214.A N HIS 210.A O no hydrogen 3.074 N/A SER 214.A OG LEU 211.A O no hydrogen 2.849 N/A MET 215.A N LEU 211.A O no hydrogen 3.217 N/A MET 215.A N MET 212.A O no hydrogen 3.210 N/A VAL 216.A N ALA 213.A O no hydrogen 3.190 N/A LEU 218.A N ALA 213.A O no hydrogen 3.141 N/A LYS 219.A N GLY 181.A O no hydrogen 2.976 N/A GLY 221.A N LEU 183.A O no hydrogen 2.761 N/A GLU 222.A N SER 184.A OG no hydrogen 2.964 N/A PHE 223.A N PHE 39.A O no hydrogen 2.921 N/A ILE 224.A N CYS 185.A O no hydrogen 2.991 N/A LEU 225.A N MET 37.A O no hydrogen 2.883 N/A THR 226.A N LEU 187.A O no hydrogen 2.938 N/A THR 226.A OG1 GLN 186.A OE1 no hydrogen 2.600 N/A LEU 227.A N PRO 35.A O no hydrogen 3.046 N/A GLY 228.A N GLN 189.A O no hydrogen 2.779 N/A ASP 229.A N ARG 190.A O no hydrogen 2.925 N/A ALA 230.A N ILE 32.A O no hydrogen 3.021 N/A HIS 231.A N GLY 192.A O no hydrogen 2.990 N/A HIS 231.A ND1 ASP 229.A OD1 no hydrogen 2.793 N/A ILE 232.A N LEU 30.A O no hydrogen 2.893 N/A ASN 234.A N GLY 28.A O no hydrogen 3.068 N/A HIS 236.A N TYR 233.A O no hydrogen 2.814 N/A HIS 236.A NE2 MET 285.A O no hydrogen 2.472 N/A ILE 237.A N ASN 234.A O no hydrogen 3.357 N/A LEU 240.A N HIS 236.A O no hydrogen 2.933 N/A LYS 241.A N ILE 237.A O no hydrogen 2.970 N/A LYS 242.A N GLU 238.A O no hydrogen 3.185 N/A GLN 243.A N VAL 239.A O no hydrogen 3.029 N/A GLN 243.A NE2 THR 51.A OG1 no hydrogen 2.765 N/A LEU 244.A N LEU 240.A O no hydrogen 2.929 N/A CYS 245.A N LYS 242.A O no hydrogen 3.076 N/A CYS 245.A SG LYS 241.A O no hydrogen 3.654 N/A ARG 246.A N GLN 243.A O no hydrogen 3.020 N/A ARG 246.A NH1 THR 51.A O no hydrogen 2.927 N/A ARG 246.A NH1 SER 280.A O no hydrogen 3.193 N/A ARG 246.A NH2 SER 280.A O no hydrogen 3.373 N/A ARG 249.A N THR 50.A OG1 no hydrogen 2.971 N/A ARG 249.A NH1 GLN 277.A O no hydrogen 3.003 N/A LYS 253.A N GLU 274.A O no hydrogen 3.062 N/A LYS 253.A NZ ASP 43.A O no hydrogen 3.063 N/A LEU 254.A N ASP 44.A O no hydrogen 2.809 N/A ARG 255.A N TYR 272.A O no hydrogen 2.916 N/A ARG 255.A NE GLU 274.A OE1 no hydrogen 3.191 N/A ARG 255.A NE GLU 274.A OE2 no hydrogen 3.226 N/A ARG 255.A NH2 GLU 274.A OE2 no hydrogen 2.771 N/A LEU 257.A N MET 270.A O no hydrogen 2.778 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 2.899 N/A ASP 265.A N LYS 262.A O no hydrogen 3.018 N/A PHE 266.A N ILE 263.A O no hydrogen 3.176 N/A MET 270.A N THR 267.A O no hydrogen 2.827 N/A TYR 272.A N ARG 255.A O no hydrogen 2.937 N/A GLU 274.A N LYS 253.A O no hydrogen 2.868 N/A TYR 276.A OH LEU 49.A O no hydrogen 2.669 N/A TYR 276.A OH LYS 52.A O no hydrogen 3.398 N/A HIS 279.A N THR 50.A O no hydrogen 3.052 N/A ASN 282.A ND2 ASN 282.A O no hydrogen 2.176 N/A