Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3txo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASN 2.A OD1 no hydrogen 3.514 N/A ASN 2.A ND2 ASN 2.A O no hydrogen 3.215 N/A GLU 4.A N ARG 21.A O no hydrogen 2.855 N/A ILE 6.A N LEU 19.A O no hydrogen 3.024 N/A ARG 7.A NH1 ILE 288.A O no hydrogen 2.827 N/A LEU 9.A N VAL 17.A O no hydrogen 2.622 N/A GLY 10.A N VAL 17.A O no hydrogen 3.176 N/A GLY 12.A N GLY 15.A O no hydrogen 3.071 N/A GLY 15.A N GLY 12.A O no hydrogen 3.211 N/A LYS 16.A N VAL 33.A O no hydrogen 3.074 N/A LYS 16.A NZ VAL 293.A O no hydrogen 2.561 N/A VAL 17.A N GLY 10.A O no hydrogen 2.806 N/A MET 18.A N VAL 31.A O no hydrogen 2.997 N/A LEU 19.A N ARG 7.A O no hydrogen 2.887 N/A ALA 20.A N TYR 29.A O no hydrogen 2.812 N/A ARG 21.A N GLU 4.A O no hydrogen 2.853 N/A ARG 21.A NH1 GLU 278.A OE2 no hydrogen 2.968 N/A ARG 21.A NH2 GLU 4.A OE2 no hydrogen 3.206 N/A VAL 22.A N ASP 27.A O no hydrogen 2.662 N/A LYS 23.A N ASN 2.A O no hydrogen 3.259 N/A GLY 26.A N VAL 22.A O no hydrogen 2.751 N/A TYR 29.A N ALA 20.A O no hydrogen 2.883 N/A ALA 30.A N MET 81.A O no hydrogen 2.939 N/A VAL 31.A N MET 18.A O no hydrogen 2.810 N/A LYS 32.A N PHE 79.A O no hydrogen 2.953 N/A LYS 32.A NZ GLU 51.A OE1 no hydrogen 2.739 N/A LYS 32.A NZ GLU 51.A OE2 no hydrogen 2.905 N/A VAL 33.A N LYS 16.A O no hydrogen 2.766 N/A LEU 34.A N LEU 77.A O no hydrogen 3.091 N/A LYS 36.A N ASP 75.A O no hydrogen 2.942 N/A LYS 36.A NZ GLN 72.A OE1 no hydrogen 3.055 N/A LYS 36.A NZ THR 73.A O no hydrogen 2.464 N/A LYS 36.A NZ PRO 74.A O no hydrogen 3.555 N/A LYS 36.A NZ GLN 306.A OE1 no hydrogen 3.158 N/A ILE 39.A N LYS 35.A O no hydrogen 3.128 N/A LEU 40.A N LYS 36.A O no hydrogen 3.453 N/A GLN 41.A N ASP 37.A O no hydrogen 2.670 N/A ASP 42.A N ILE 39.A O no hydrogen 3.051 N/A ASP 43.A N LEU 40.A O no hydrogen 3.030 N/A ASP 44.A N ILE 39.A O no hydrogen 2.988 N/A CYS 47.A SG GLY 147.A O no hydrogen 3.514 N/A THR 48.A N VAL 45.A O no hydrogen 3.114 N/A THR 48.A OG1 ASP 44.A O no hydrogen 3.493 N/A MET 49.A N VAL 45.A O no hydrogen 3.305 N/A THR 50.A N GLU 46.A O no hydrogen 2.793 N/A THR 50.A OG1 GLU 46.A O no hydrogen 3.421 N/A THR 50.A OG1 GLU 46.A OE2 no hydrogen 3.325 N/A THR 50.A OG1 GLU 151.A OE1 no hydrogen 2.850 N/A GLU 51.A N CYS 47.A O no hydrogen 2.851 N/A LYS 52.A N THR 48.A O no hydrogen 3.099 N/A LYS 52.A NZ GLU 313.A O no hydrogen 2.709 N/A ARG 53.A N MET 49.A O no hydrogen 3.018 N/A ARG 53.A NE GLU 151.A OE1 no hydrogen 3.360 N/A ARG 53.A NE GLU 151.A OE2 no hydrogen 3.030 N/A ARG 53.A NH2 GLU 46.A OE2 no hydrogen 2.715 N/A ARG 53.A NH2 GLU 151.A OE1 no hydrogen 3.066 N/A ILE 54.A N THR 50.A O no hydrogen 2.839 N/A LEU 55.A N GLU 51.A O no hydrogen 2.942 N/A SER 56.A N LYS 52.A O no hydrogen 3.105 N/A SER 56.A OG LYS 52.A O no hydrogen 2.968 N/A LEU 57.A N ARG 53.A O no hydrogen 3.086 N/A ALA 58.A N ILE 54.A O no hydrogen 2.776 N/A ARG 59.A N SER 56.A O no hydrogen 3.170 N/A ASN 60.A N GLN 66.A OE1 no hydrogen 2.732 N/A HIS 61.A N ALA 58.A O no hydrogen 2.990 N/A PHE 63.A N HIS 61.A ND1 no hydrogen 2.854 N/A THR 65.A N LEU 143.A O no hydrogen 3.065 N/A THR 65.A OG1 LEU 143.A O no hydrogen 2.982 N/A GLN 66.A N GLU 82.A OE2 no hydrogen 3.045 N/A GLN 66.A NE2 ALA 58.A O no hydrogen 3.073 N/A GLN 66.A NE2 LEU 64.A O no hydrogen 2.938 N/A PHE 68.A N VAL 80.A O no hydrogen 2.707 N/A CYS 69.A N VAL 80.A O no hydrogen 3.144 N/A CYS 70.A N TYR 314.A O no hydrogen 3.038 N/A PHE 71.A N PHE 78.A O no hydrogen 3.120 N/A GLN 72.A NE2 PHE 309.A O no hydrogen 3.213 N/A GLN 72.A NE2 GLU 313.A OE1 no hydrogen 3.246 N/A THR 73.A N ARG 76.A O no hydrogen 2.810 N/A ARG 76.A N THR 73.A OG1 no hydrogen 3.106 N/A LEU 77.A N LEU 34.A O no hydrogen 2.929 N/A PHE 78.A N PHE 71.A O no hydrogen 2.909 N/A PHE 79.A N LYS 32.A O no hydrogen 2.960 N/A VAL 80.A N CYS 69.A O no hydrogen 2.676 N/A MET 81.A N ALA 30.A O no hydrogen 2.839 N/A GLU 82.A N GLN 66.A O no hydrogen 2.946 N/A GLY 86.A N LEU 135.A O no hydrogen 2.941 N/A LEU 89.A N VAL 133.A O no hydrogen 3.101 N/A PHE 91.A N ASP 88.A OD1 no hydrogen 2.885 N/A HIS 92.A N ASP 88.A O no hydrogen 3.096 N/A HIS 92.A NE2 GLY 86.A O no hydrogen 2.591 N/A ILE 93.A N LEU 89.A O no hydrogen 2.775 N/A GLN 94.A N MET 90.A O no hydrogen 3.115 N/A LYS 95.A N PHE 91.A O no hydrogen 3.166 N/A SER 96.A N HIS 92.A O no hydrogen 3.020 N/A SER 96.A OG HIS 92.A O no hydrogen 3.098 N/A ARG 97.A N ILE 93.A O no hydrogen 2.744 N/A ARG 98.A N SER 96.A O no hydrogen 2.857 N/A PHE 99.A N MET 186.A O no hydrogen 2.832 N/A ARG 103.A NE TYR 107.A OH no hydrogen 2.855 N/A ARG 103.A NH2 TYR 107.A OH no hydrogen 3.164 N/A ALA 104.A N ASP 100.A O no hydrogen 3.001 N/A ARG 105.A N GLU 101.A O no hydrogen 2.914 N/A ARG 105.A NE PHE 252.A O no hydrogen 2.831 N/A PHE 106.A N ALA 102.A O no hydrogen 3.212 N/A TYR 107.A N ARG 103.A O no hydrogen 3.154 N/A ALA 108.A N ALA 104.A O no hydrogen 2.887 N/A ALA 109.A N ARG 105.A O no hydrogen 2.784 N/A GLU 110.A N PHE 106.A O no hydrogen 3.131 N/A ILE 111.A N TYR 107.A O no hydrogen 3.013 N/A ILE 112.A N ALA 108.A O no hydrogen 2.981 N/A SER 113.A N ALA 109.A O no hydrogen 3.064 N/A ALA 114.A N GLU 110.A O no hydrogen 3.009 N/A LEU 115.A N ILE 111.A O no hydrogen 2.902 N/A MET 116.A N ILE 112.A O no hydrogen 2.793 N/A PHE 117.A N SER 113.A O no hydrogen 3.094 N/A LEU 118.A N ALA 114.A O no hydrogen 3.109 N/A HIS 119.A N LEU 115.A O no hydrogen 2.785 N/A HIS 119.A ND1 GLU 244.A OE2 no hydrogen 2.622 N/A HIS 119.A NE2 ASP 175.A OD2 no hydrogen 2.748 N/A ASP 120.A N MET 116.A O no hydrogen 2.805 N/A LYS 121.A N PHE 117.A O no hydrogen 3.193 N/A GLY 122.A N HIS 119.A O no hydrogen 2.996 N/A ILE 123.A N LEU 118.A O no hydrogen 2.942 N/A ILE 124.A N LYS 150.A O no hydrogen 3.038 N/A TYR 125.A N ASP 175.A OD2 no hydrogen 2.836 N/A TYR 125.A OH ALA 144.A O no hydrogen 2.624 N/A TYR 125.A OH ASP 145.A O no hydrogen 3.103 N/A ARG 126.A N ASP 175.A OD1 no hydrogen 2.936 N/A ASN 132.A N LYS 129.A O no hydrogen 2.952 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.791 N/A VAL 133.A N LEU 130.A O no hydrogen 3.263 N/A LEU 134.A N LYS 142.A O no hydrogen 2.768 N/A LEU 135.A N GLY 87.A O no hydrogen 3.017 N/A ASP 136.A N HIS 140.A O no hydrogen 2.956 N/A GLU 138.A N ASP 136.A OD1 no hydrogen 2.947 N/A GLY 139.A N ASP 136.A O no hydrogen 2.887 N/A HIS 140.A N ASP 136.A OD1 no hydrogen 3.110 N/A HIS 140.A ND1 GLU 110.A OE2 no hydrogen 2.730 N/A CYS 141.A N GLU 110.A OE1 no hydrogen 2.721 N/A LYS 142.A N LEU 134.A O no hydrogen 2.675 N/A LYS 142.A NZ GLU 82.A OE1 no hydrogen 3.307 N/A LYS 142.A NZ GLU 82.A OE2 no hydrogen 2.682 N/A LEU 143.A N PHE 63.A O no hydrogen 2.936 N/A ALA 144.A N ASN 132.A O no hydrogen 2.962 N/A PHE 146.A N GLU 51.A OE2 no hydrogen 3.235 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 3.221 N/A CYS 149.A N PHE 146.A O no hydrogen 3.509 N/A CYS 149.A SG TYR 125.A O no hydrogen 3.803 N/A CYS 149.A SG PHE 146.A O no hydrogen 3.617 N/A LYS 150.A N ILE 124.A O no hydrogen 3.033 N/A LYS 150.A NZ GLU 167.A OE2 no hydrogen 3.337 N/A ILE 153.A N GLY 122.A O no hydrogen 2.911 N/A TYR 159.A N THR 156.A O no hydrogen 2.842 N/A ILE 160.A N PRO 157.A O no hydrogen 3.469 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.812 N/A ILE 164.A N ALA 161.A O no hydrogen 3.104 N/A LEU 165.A N ALA 161.A O no hydrogen 3.250 N/A GLN 166.A N PRO 162.A O no hydrogen 2.974 N/A GLU 167.A N GLU 163.A O no hydrogen 3.466 N/A MET 168.A N ILE 164.A O no hydrogen 3.043 N/A LEU 169.A N LEU 165.A O no hydrogen 2.729 N/A TYR 170.A N GLN 166.A O no hydrogen 2.844 N/A ALA 173.A N TYR 170.A O no hydrogen 3.152 N/A VAL 174.A N GLY 171.A O no hydrogen 3.188 N/A ASP 175.A N PRO 172.A O no hydrogen 3.009 N/A TRP 176.A N ALA 173.A O no hydrogen 3.141 N/A TRP 176.A NE1 GLU 244.A OE2 no hydrogen 2.940 N/A TRP 177.A N ALA 173.A O no hydrogen 3.025 N/A ALA 178.A N VAL 174.A O no hydrogen 3.161 N/A MET 179.A N ASP 175.A O no hydrogen 2.915 N/A GLY 180.A N TRP 176.A O no hydrogen 3.098 N/A VAL 181.A N TRP 177.A O no hydrogen 3.158 N/A LEU 182.A N ALA 178.A O no hydrogen 2.880 N/A LEU 183.A N MET 179.A O no hydrogen 2.895 N/A TYR 184.A N GLY 180.A O no hydrogen 2.964 N/A TYR 184.A OH VAL 211.A O no hydrogen 2.775 N/A GLU 185.A N VAL 181.A O no hydrogen 2.945 N/A MET 186.A N LEU 182.A O no hydrogen 2.994 N/A LEU 187.A N LEU 183.A O no hydrogen 3.058 N/A LEU 187.A N TYR 184.A O no hydrogen 3.213 N/A CYS 188.A N TYR 184.A O no hydrogen 2.834 N/A GLY 189.A N GLU 185.A O no hydrogen 2.674 N/A HIS 190.A ND1 ALA 191.A O no hydrogen 2.788 N/A ASP 200.A N ASN 197.A OD1 no hydrogen 2.881 N/A LEU 201.A N ASN 197.A O no hydrogen 3.144 N/A PHE 202.A N GLU 198.A O no hydrogen 2.955 N/A GLU 203.A N ASP 199.A O no hydrogen 3.048 N/A ALA 204.A N ASP 200.A O no hydrogen 2.924 N/A ILE 205.A N LEU 201.A O no hydrogen 3.031 N/A LEU 206.A N PHE 202.A O no hydrogen 3.006 N/A ASN 207.A N GLU 203.A O no hydrogen 2.944 N/A ASN 207.A N ALA 204.A O no hydrogen 3.223 N/A ASP 208.A N ALA 204.A O no hydrogen 2.709 N/A LEU 216.A N PRO 213.A O no hydrogen 3.096 N/A THR 221.A N HIS 217.A O no hydrogen 3.043 N/A THR 221.A OG1 HIS 217.A O no hydrogen 3.340 N/A GLY 222.A N GLU 218.A O no hydrogen 2.986 N/A ILE 223.A N ASP 219.A O no hydrogen 2.974 N/A LEU 224.A N ALA 220.A O no hydrogen 3.095 N/A LYS 225.A N THR 221.A O no hydrogen 2.992 N/A SER 226.A N GLY 222.A O no hydrogen 3.068 N/A SER 226.A OG GLY 222.A O no hydrogen 2.862 N/A PHE 227.A N ILE 223.A O no hydrogen 2.955 N/A MET 228.A N LEU 224.A O no hydrogen 2.788 N/A THR 229.A OG1 LYS 225.A O no hydrogen 3.052 N/A THR 229.A OG1 SER 226.A O no hydrogen 3.315 N/A LYS 230.A NZ ILE 205.A O no hydrogen 2.557 N/A LYS 230.A NZ ASP 208.A O no hydrogen 2.830 N/A THR 233.A N ASN 231.A OD1 no hydrogen 2.970 N/A THR 233.A OG1 ASN 231.A OD1 no hydrogen 3.136 N/A MET 234.A N ASN 231.A O no hydrogen 3.095 N/A ARG 235.A N PRO 232.A O no hydrogen 3.393 N/A ARG 235.A NE THR 229.A O no hydrogen 2.917 N/A ARG 235.A NH1 ALA 173.A O no hydrogen 2.775 N/A ARG 235.A NH2 THR 229.A O no hydrogen 3.074 N/A LEU 236.A N SER 226.A O no hydrogen 2.925 N/A SER 238.A N ARG 235.A O no hydrogen 3.090 N/A SER 238.A OG PRO 232.A O no hydrogen 2.609 N/A THR 240.A OG1 GLN 241.A OE1 no hydrogen 3.129 N/A GLN 241.A N SER 238.A O no hydrogen 3.023 N/A GLN 241.A NE2 THR 233.A O no hydrogen 3.288 N/A GLN 241.A NE2 ARG 235.A O no hydrogen 3.275 N/A GLY 242.A N LEU 239.A O no hydrogen 3.045 N/A GLY 243.A N SER 238.A O no hydrogen 3.165 N/A ALA 246.A N GLY 243.A O no hydrogen 3.122 N/A ILE 247.A N GLU 244.A O no hydrogen 2.781 N/A ARG 249.A N HIS 245.A O no hydrogen 3.251 N/A HIS 250.A N ILE 247.A O no hydrogen 3.227 N/A PHE 252.A N HIS 250.A ND1 no hydrogen 2.997 N/A PHE 253.A N HIS 250.A O no hydrogen 2.840 N/A LYS 254.A N PRO 251.A O no hydrogen 2.946 N/A ILE 256.A N PHE 253.A O no hydrogen 2.938 N/A GLN 260.A N ASP 257.A OD1 no hydrogen 3.211 N/A LEU 261.A N ASP 257.A O no hydrogen 2.741 N/A ASN 262.A N TRP 258.A O no hydrogen 2.863 N/A ASN 262.A ND2 SER 113.A OG no hydrogen 2.537 N/A HIS 263.A N ALA 259.A O no hydrogen 3.170 N/A HIS 263.A N GLN 260.A O no hydrogen 3.070 N/A ARG 264.A N LEU 261.A O no hydrogen 2.899 N/A ARG 264.A NH1 PRO 62.A O no hydrogen 3.056 N/A ARG 264.A NH1 ASP 136.A OD2 no hydrogen 3.247 N/A ARG 264.A NH2 ASP 136.A OD2 no hydrogen 2.713 N/A ARG 264.A NH2 GLU 138.A OE1 no hydrogen 3.368 N/A GLN 265.A N GLN 260.A O no hydrogen 2.862 N/A LYS 275.A N ASP 279.A OD2 no hydrogen 2.805 N/A ARG 277.A NH2 GLY 26.A O no hydrogen 2.728 N/A ASP 279.A N SER 276.A O no hydrogen 2.978 N/A SER 281.A N ASP 279.A OD1 no hydrogen 3.123 N/A SER 281.A OG ASP 279.A OD1 no hydrogen 2.810 N/A PHE 283.A N VAL 280.A O no hydrogen 3.104 N/A PHE 287.A N ASP 284.A O no hydrogen 3.175 N/A ILE 288.A N ASP 284.A O no hydrogen 3.182 N/A GLU 290.A N PHE 287.A O no hydrogen 3.042 N/A GLU 298.A N GLU 298.A OE2 no hydrogen 2.678 N/A HIS 300.A N ASP 297.A O no hydrogen 3.374 N/A MET 303.A N HIS 300.A O no hydrogen 2.514 N/A GLN 306.A NE2 PRO 74.A O no hydrogen 3.041 N/A GLU 308.A N ASN 305.A O no hydrogen 2.917 N/A ARG 310.A N ASP 307.A O no hydrogen 3.472 N/A GLU 313.A N GLU 313.A OE1 no hydrogen 2.970 N/A TYR 314.A N CYS 70.A O no hydrogen 3.311 N/A SER 316.A N PHE 68.A O no hydrogen 2.967 N/A