Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3obg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH TYR 20.A O no hydrogen 2.185 N/A GLN 7.A N TRP 14.A O no hydrogen 2.863 N/A LEU 9.A N THR 12.A O no hydrogen 2.748 N/A TRP 14.A N GLN 7.A O no hydrogen 2.803 N/A GLU 15.A N TYR 95.A OH no hydrogen 3.055 N/A VAL 16.A N TYR 5.A O no hydrogen 3.266 N/A GLU 18.A N THR 3.A O no hydrogen 2.946 N/A ARG 19.A NE ASP 35.A OD1 no hydrogen 2.764 N/A ARG 19.A NH2 ASP 35.A OD1 no hydrogen 3.522 N/A ARG 19.A NH2 ASP 35.A OD2 no hydrogen 2.822 N/A TYR 20.A N PRO 17.A O no hydrogen 3.335 N/A TYR 20.A OH ASP 80.A OD1 no hydrogen 2.902 N/A GLN 21.A N PHE 34.A O no hydrogen 3.030 N/A GLN 21.A NE2 GLU 18.A O no hydrogen 2.283 N/A SER 24.A N ALA 32.A O no hydrogen 2.581 N/A VAL 26.A N VAL 30.A O no hydrogen 2.964 N/A GLY 27.A N VAL 30.A O no hydrogen 3.220 N/A SER 29.A N LYS 46.A O no hydrogen 3.377 N/A CYS 31.A N VAL 44.A O no hydrogen 2.983 N/A ALA 32.A N SER 24.A O no hydrogen 2.783 N/A ALA 33.A N VAL 42.A O no hydrogen 2.914 N/A PHE 34.A N GLN 21.A O no hydrogen 2.837 N/A ASP 35.A N LEU 40.A O no hydrogen 3.071 N/A THR 36.A OG1 ARG 19.A O no hydrogen 3.146 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.092 N/A THR 38.A N ASP 35.A O no hydrogen 2.751 N/A GLY 39.A N ASP 35.A O no hydrogen 2.570 N/A LEU 40.A N THR 38.A OG1 no hydrogen 2.831 N/A VAL 42.A N ALA 33.A O no hydrogen 2.750 N/A ALA 43.A N THR 98.A O no hydrogen 2.866 N/A VAL 44.A N CYS 31.A O no hydrogen 2.921 N/A LYS 45.A N LEU 96.A O no hydrogen 2.580 N/A LYS 45.A NZ GLU 63.A OE1 no hydrogen 2.486 N/A LYS 45.A NZ GLU 63.A OE2 no hydrogen 3.170 N/A LYS 46.A N SER 29.A O no hydrogen 2.712 N/A LYS 46.A NZ ILE 13.A O no hydrogen 2.564 N/A LEU 47.A N VAL 94.A O no hydrogen 2.911 N/A ARG 49.A NE GLN 52.A OE1 no hydrogen 2.999 N/A SER 53.A OG HIS 56.A ND1 no hydrogen 2.547 N/A HIS 56.A ND1 SER 53.A OG no hydrogen 2.547 N/A ALA 57.A N SER 53.A O no hydrogen 3.025 N/A LYS 58.A N ILE 54.A O no hydrogen 2.880 N/A LYS 58.A NZ GLU 308.A O no hydrogen 3.053 N/A LYS 58.A NZ ARG 310.A O no hydrogen 3.283 N/A ARG 59.A N ILE 55.A O no hydrogen 3.264 N/A THR 60.A N HIS 56.A O no hydrogen 2.661 N/A THR 60.A OG1 PRO 50.A O no hydrogen 3.099 N/A THR 60.A OG1 HIS 56.A O no hydrogen 3.150 N/A TYR 61.A N ALA 57.A O no hydrogen 3.175 N/A ARG 62.A N LYS 58.A O no hydrogen 2.828 N/A ARG 62.A NE GLU 308.A OE1 no hydrogen 3.278 N/A ARG 62.A NE GLU 308.A OE2 no hydrogen 2.512 N/A ARG 62.A NH2 GLU 308.A OE1 no hydrogen 3.047 N/A GLU 63.A N ARG 59.A O no hydrogen 2.938 N/A LEU 64.A N THR 60.A O no hydrogen 2.921 N/A ARG 65.A N TYR 61.A O no hydrogen 2.666 N/A ARG 65.A NH1 TYR 61.A OH no hydrogen 2.830 N/A ARG 65.A NH2 ASP 304.A O no hydrogen 2.754 N/A LEU 66.A N ARG 62.A O no hydrogen 2.863 N/A LEU 67.A N GLU 63.A O no hydrogen 2.791 N/A LYS 68.A N LEU 64.A O no hydrogen 2.875 N/A LYS 68.A NZ GLU 324.A O no hydrogen 2.656 N/A LYS 68.A NZ GLU 324.A OE1 no hydrogen 2.810 N/A HIS 69.A N ARG 65.A O no hydrogen 3.267 N/A HIS 69.A N LEU 66.A O no hydrogen 2.694 N/A HIS 69.A NE2 ASP 301.A O no hydrogen 2.970 N/A MET 70.A N LEU 66.A O no hydrogen 3.123 N/A MET 70.A N LEU 67.A O no hydrogen 3.226 N/A LYS 71.A N TYR 132.A OH no hydrogen 2.741 N/A ASN 74.A ND2 GLN 125.A OE1 no hydrogen 2.721 N/A ASN 74.A ND2 LEU 156.A O no hydrogen 3.101 N/A ILE 76.A N ILE 158.A O no hydrogen 3.040 N/A LEU 79.A N VAL 97.A O no hydrogen 2.803 N/A ASP 80.A N VAL 97.A O no hydrogen 3.287 N/A PHE 82.A N TYR 95.A O no hydrogen 3.102 N/A THR 83.A OG1 ASP 93.A O no hydrogen 2.643 N/A ARG 86.A N GLU 90.A OE1 no hydrogen 2.577 N/A SER 87.A OG ARG 86.A O no hydrogen 2.789 N/A GLU 89.A N SER 87.A OG no hydrogen 2.780 N/A TYR 95.A N PHE 82.A O no hydrogen 3.069 N/A LEU 96.A N LYS 45.A O no hydrogen 2.659 N/A THR 98.A N ALA 43.A O no hydrogen 3.036 N/A THR 98.A OG1 GLY 77.A O no hydrogen 2.539 N/A LEU 100.A N ARG 41.A O no hydrogen 3.269 N/A ALA 103.A N MET 101.A O no hydrogen 2.745 N/A ALA 103.A N VAL 150.A O no hydrogen 3.227 N/A LEU 105.A N LEU 148.A O no hydrogen 2.925 N/A ASN 106.A N ASP 104.A OD2 no hydrogen 2.593 N/A ASN 107.A N ASP 104.A O no hydrogen 3.140 N/A LYS 110.A NZ ASN 106.A OD1 no hydrogen 2.568 N/A CYS 111.A N ILE 108.A O no hydrogen 3.157 N/A GLN 112.A N GLN 112.A OE1 no hydrogen 2.753 N/A THR 115.A N HIS 118.A ND1 no hydrogen 2.843 N/A THR 115.A OG1 HIS 118.A ND1 no hydrogen 2.939 N/A HIS 118.A N THR 115.A OG1 no hydrogen 3.119 N/A VAL 119.A N THR 115.A O no hydrogen 3.149 N/A GLN 120.A N ASP 116.A O no hydrogen 2.917 N/A PHE 121.A N ASP 117.A O no hydrogen 3.016 N/A LEU 122.A N HIS 118.A O no hydrogen 3.013 N/A ILE 123.A N VAL 119.A O no hydrogen 2.706 N/A TYR 124.A N GLN 120.A O no hydrogen 3.051 N/A TYR 124.A OH GLU 297.A OE1 no hydrogen 2.512 N/A GLN 125.A N LEU 122.A O no hydrogen 2.869 N/A ILE 126.A N LEU 122.A O no hydrogen 3.043 N/A LEU 127.A N ILE 123.A O no hydrogen 2.883 N/A ARG 128.A N TYR 124.A O no hydrogen 2.723 N/A ARG 128.A NE ASP 296.A O no hydrogen 2.987 N/A ARG 128.A NH1 GLU 73.A OE2 no hydrogen 3.526 N/A ARG 128.A NH1 ASN 74.A OD1 no hydrogen 2.809 N/A ARG 128.A NH2 ASP 296.A O no hydrogen 2.690 N/A GLY 129.A N GLN 125.A O no hydrogen 2.916 N/A LEU 130.A N ILE 126.A O no hydrogen 2.831 N/A LYS 131.A N LEU 127.A O no hydrogen 3.072 N/A LYS 131.A NZ GLU 297.A O no hydrogen 2.387 N/A TYR 132.A N ARG 128.A O no hydrogen 3.325 N/A TYR 132.A OH HIS 69.A O no hydrogen 2.924 N/A ILE 133.A N GLY 129.A O no hydrogen 3.068 N/A ILE 133.A N LEU 130.A O no hydrogen 2.555 N/A HIS 134.A N LEU 130.A O no hydrogen 2.813 N/A HIS 134.A NE2 ASP 185.A OD1 no hydrogen 3.004 N/A SER 135.A N LYS 131.A O no hydrogen 3.155 N/A SER 135.A OG TYR 132.A O no hydrogen 2.565 N/A ALA 136.A N ILE 133.A O no hydrogen 2.903 N/A ASP 137.A N HIS 134.A O no hydrogen 2.834 N/A ILE 138.A N ILE 133.A O no hydrogen 3.134 N/A HIS 140.A N ASP 185.A OD1 no hydrogen 2.523 N/A ARG 141.A N ASP 185.A OD2 no hydrogen 2.846 N/A LYS 144.A NZ ASP 142.A OD1 no hydrogen 2.912 N/A LYS 144.A NZ ASP 142.A OD2 no hydrogen 3.045 N/A ASN 147.A N LYS 144.A O no hydrogen 3.013 N/A ASN 147.A ND2 LEU 159.A O no hydrogen 3.525 N/A ALA 149.A N LYS 157.A O no hydrogen 2.809 N/A VAL 150.A N ALA 103.A O no hydrogen 2.822 N/A ASN 151.A N GLU 155.A O no hydrogen 2.889 N/A ASN 151.A ND2 GLU 155.A OE2 no hydrogen 2.936 N/A ASP 153.A N GLU 152.A OE2 no hydrogen 3.207 N/A CYS 154.A N ASN 151.A O no hydrogen 2.853 N/A LYS 157.A N ALA 149.A O no hydrogen 2.784 N/A ILE 158.A N ASN 74.A O no hydrogen 3.277 N/A LEU 159.A N ASN 147.A O no hydrogen 2.724 N/A GLY 162.A N ASP 160.A O no hydrogen 2.786 N/A LEU 163.A N ASP 160.A O no hydrogen 3.412 N/A TRP 167.A NE1 GLY 205.A O no hydrogen 2.565 N/A TYR 168.A N THR 165.A O no hydrogen 3.363 N/A TYR 168.A OH GLU 195.A OE1 no hydrogen 2.760 N/A ARG 169.A N ARG 166.A O no hydrogen 3.245 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 3.076 N/A ILE 173.A N ALA 170.A O no hydrogen 3.023 N/A LEU 175.A N PRO 171.A O no hydrogen 2.926 N/A ASN 176.A N ILE 173.A O no hydrogen 3.121 N/A GLN 182.A NE2 HIS 134.A O no hydrogen 3.479 N/A THR 183.A OG1 SER 273.A O no hydrogen 3.311 N/A VAL 184.A N ASN 181.A O no hydrogen 2.865 N/A ASP 185.A N GLN 182.A O no hydrogen 3.038 N/A TRP 187.A N THR 183.A O no hydrogen 3.028 N/A SER 188.A OG TYR 168.A O no hydrogen 2.772 N/A SER 188.A OG VAL 184.A O no hydrogen 2.979 N/A SER 188.A OG ASP 185.A O no hydrogen 3.465 N/A VAL 189.A N ASP 185.A O no hydrogen 2.976 N/A GLY 190.A N ILE 186.A O no hydrogen 3.020 N/A CYS 191.A N TRP 187.A O no hydrogen 3.025 N/A CYS 191.A SG TRP 167.A O no hydrogen 3.967 N/A CYS 191.A SG TRP 187.A O no hydrogen 3.550 N/A ILE 192.A N SER 188.A O no hydrogen 2.693 N/A MET 193.A N VAL 189.A O no hydrogen 2.697 N/A ALA 194.A N GLY 190.A O no hydrogen 2.911 N/A GLU 195.A N CYS 191.A O no hydrogen 3.371 N/A GLU 195.A N ILE 192.A O no hydrogen 3.016 N/A LEU 196.A N ILE 192.A O no hydrogen 2.940 N/A LEU 197.A N MET 193.A O no hydrogen 2.890 N/A THR 198.A N ALA 194.A O no hydrogen 2.897 N/A THR 198.A N GLU 195.A O no hydrogen 3.333 N/A THR 198.A OG1 ALA 194.A O no hydrogen 3.196 N/A GLY 199.A N GLU 195.A O no hydrogen 2.893 N/A ARG 200.A N THR 198.A OG1 no hydrogen 3.196 N/A GLY 205.A N PHE 203.A O no hydrogen 2.800 N/A GLY 205.A N GLN 211.A OE1 no hydrogen 3.240 N/A THR 206.A N ASP 210.A OD1 no hydrogen 2.806 N/A THR 206.A OG1 ASP 210.A OD1 no hydrogen 2.865 N/A ILE 209.A N ASP 207.A OD2 no hydrogen 2.645 N/A ASP 210.A N ASP 207.A OD2 no hydrogen 2.843 N/A GLN 211.A N ASP 207.A O no hydrogen 3.262 N/A GLN 211.A NE2 TRP 167.A O no hydrogen 3.428 N/A GLN 211.A NE2 PHE 203.A O no hydrogen 3.135 N/A LYS 213.A N ILE 209.A O no hydrogen 3.274 N/A LYS 213.A N ASP 210.A O no hydrogen 3.109 N/A LEU 214.A N ASP 210.A O no hydrogen 2.960 N/A ILE 215.A N GLN 211.A O no hydrogen 2.911 N/A LEU 216.A N LEU 212.A O no hydrogen 3.293 N/A ARG 217.A N LYS 213.A O no hydrogen 2.798 N/A LEU 218.A N ILE 215.A O no hydrogen 3.000 N/A VAL 219.A N ILE 215.A O no hydrogen 2.829 N/A GLY 220.A N LEU 216.A O no hydrogen 2.826 N/A LEU 226.A N GLY 223.A O no hydrogen 2.479 N/A LEU 227.A N GLY 223.A O no hydrogen 3.104 N/A LYS 228.A N ALA 224.A O no hydrogen 3.273 N/A LYS 229.A N LEU 226.A O no hydrogen 2.682 N/A ILE 230.A N LEU 227.A O no hydrogen 3.156 N/A SER 232.A OG SER 231.A O no hydrogen 2.463 N/A ILE 239.A N ARG 236.A O no hydrogen 2.849 N/A SER 241.A N ASN 237.A O no hydrogen 3.236 N/A SER 241.A OG ASN 237.A O no hydrogen 3.024 N/A LYS 247.A NZ GLU 266.A OE2 no hydrogen 2.960 N/A MET 248.A N LEU 218.A O no hydrogen 3.160 N/A VAL 253.A N ASN 249.A O no hydrogen 2.739 N/A ILE 255.A N ASN 252.A O no hydrogen 2.909 N/A ALA 257.A N PHE 254.A O no hydrogen 3.145 N/A ASN 258.A ND2 ASP 116.A OD1 no hydrogen 3.034 N/A ASN 258.A ND2 ASP 116.A OD2 no hydrogen 3.416 N/A LEU 260.A N ASN 258.A OD1 no hydrogen 2.720 N/A VAL 262.A N ASN 258.A O no hydrogen 3.095 N/A ASP 263.A N PRO 259.A O no hydrogen 3.118 N/A LEU 264.A N LEU 260.A O no hydrogen 3.025 N/A LEU 265.A N ALA 261.A O no hydrogen 2.798 N/A GLU 266.A N VAL 262.A O no hydrogen 3.134 N/A LYS 267.A N LEU 264.A O no hydrogen 2.964 N/A LYS 267.A NZ ASP 263.A OD1 no hydrogen 2.905 N/A LYS 267.A NZ ASP 263.A OD2 no hydrogen 2.954 N/A MET 268.A N LEU 264.A O no hydrogen 3.182 N/A LEU 269.A N LEU 265.A O no hydrogen 2.810 N/A SER 273.A OG ASP 274.A OD2 no hydrogen 3.493 N/A ASP 274.A N ASP 272.A OD1 no hydrogen 2.900 N/A LYS 275.A N ASP 272.A O no hydrogen 2.574 N/A ARG 276.A N ASP 272.A O no hydrogen 3.259 N/A ARG 276.A NH1 GLU 172.A OE2 no hydrogen 3.445 N/A ARG 276.A NH1 VAL 270.A O no hydrogen 3.021 N/A ARG 276.A NH2 GLU 172.A OE2 no hydrogen 2.643 N/A ILE 277.A N LYS 267.A O no hydrogen 3.325 N/A THR 278.A N GLN 281.A OE1 no hydrogen 3.111 N/A GLN 281.A N THR 278.A OG1 no hydrogen 3.135 N/A ALA 282.A N THR 278.A O no hydrogen 2.685 N/A LEU 283.A N ALA 279.A O no hydrogen 3.206 N/A ALA 284.A N GLN 281.A O no hydrogen 2.704 N/A HIS 285.A N ALA 282.A O no hydrogen 3.333 N/A HIS 285.A NE2 ASP 263.A OD2 no hydrogen 2.649 N/A TYR 287.A N HIS 285.A ND1 no hydrogen 3.348 N/A TYR 287.A OH ASP 116.A OD1 no hydrogen 3.036 N/A PHE 288.A N HIS 285.A O no hydrogen 3.036 N/A ALA 289.A N ALA 286.A O no hydrogen 2.829 N/A TYR 291.A N PHE 288.A O no hydrogen 2.714 N/A TYR 291.A OH ASP 117.A OD2 no hydrogen 2.871 N/A HIS 292.A N PHE 288.A O no hydrogen 2.701 N/A HIS 292.A ND1 GLU 297.A OE1 no hydrogen 2.760 N/A ASP 293.A N GLU 297.A OE1 no hydrogen 3.090 N/A ASP 296.A N ASP 293.A O no hydrogen 2.756 N/A ALA 300.A N SER 135.A OG no hydrogen 2.610 N/A GLN 305.A NE2 ASP 137.A O no hydrogen 3.256 N/A SER 306.A OG ASP 304.A OD1 no hydrogen 2.704 N/A GLU 308.A N GLN 305.A O no hydrogen 3.425 N/A SER 309.A N SER 306.A O no hydrogen 2.544 N/A LEU 313.A N GLU 316.A OE1 no hydrogen 3.151 N/A TRP 317.A N LEU 313.A O no hydrogen 2.989 N/A LYS 318.A N ILE 314.A O no hydrogen 2.886 N/A LYS 318.A NZ PHE 91.A O no hydrogen 3.131 N/A SER 319.A N ASP 315.A O no hydrogen 3.166 N/A LEU 320.A N GLU 316.A O no hydrogen 3.163 N/A THR 321.A N TRP 317.A O no hydrogen 3.043 N/A THR 321.A OG1 TRP 317.A O no hydrogen 2.801 N/A TYR 322.A N LYS 318.A O no hydrogen 3.286 N/A ASP 323.A N SER 319.A O no hydrogen 2.992 N/A GLU 324.A N LEU 320.A O no hydrogen 2.880 N/A VAL 325.A N THR 321.A O no hydrogen 2.636 N/A ILE 326.A N TYR 322.A O no hydrogen 2.914 N/A SER 327.A N ASP 323.A O no hydrogen 2.962 N/A SER 327.A N GLU 324.A O no hydrogen 3.265 N/A SER 327.A OG ASP 323.A O no hydrogen 2.859 N/A SER 327.A OG GLU 324.A O no hydrogen 3.224 N/A PHE 328.A N VAL 325.A O no hydrogen 3.377 N/A