Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rjr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N PRO 1.A O no hydrogen 3.408 N/A SER 5.A OG LEU 2.A O no hydrogen 2.681 N/A LYS 6.A N LEU 2.A O no hydrogen 3.101 N/A LYS 6.A N SER 3.A O no hydrogen 3.054 N/A THR 7.A N SER 3.A O no hydrogen 3.041 N/A THR 7.A N THR 4.A O no hydrogen 2.954 N/A THR 7.A OG1 SER 3.A O no hydrogen 3.189 N/A ILE 8.A N THR 4.A O no hydrogen 3.071 N/A ASP 9.A N SER 5.A O no hydrogen 2.885 N/A MET 10.A N LYS 6.A O no hydrogen 2.955 N/A GLU 11.A N THR 7.A O no hydrogen 2.918 N/A LEU 12.A N ILE 8.A O no hydrogen 3.051 N/A VAL 13.A N ASP 9.A O no hydrogen 2.903 N/A LYS 14.A N MET 10.A O no hydrogen 2.816 N/A ARG 15.A N GLU 11.A O no hydrogen 2.813 N/A LYS 16.A N LEU 12.A O no hydrogen 2.926 N/A LYS 16.A NZ ALA 302.A O no hydrogen 3.506 N/A ARG 17.A N VAL 13.A O no hydrogen 2.787 N/A ILE 18.A N LYS 14.A O no hydrogen 2.747 N/A GLU 19.A N ARG 15.A O no hydrogen 2.902 N/A ALA 20.A N LYS 16.A O no hydrogen 2.915 N/A ILE 21.A N ARG 17.A O no hydrogen 3.026 N/A ARG 22.A N ILE 18.A O no hydrogen 3.069 N/A ARG 22.A NE GLU 19.A OE2 no hydrogen 3.156 N/A GLY 23.A N GLU 19.A O no hydrogen 3.483 N/A GLN 24.A N ALA 20.A O no hydrogen 3.021 N/A GLN 24.A NE2 ASN 297.A OD1 no hydrogen 3.550 N/A ILE 25.A N ILE 21.A O no hydrogen 2.827 N/A LEU 26.A N ARG 22.A O no hydrogen 2.802 N/A SER 27.A N GLY 23.A O no hydrogen 2.778 N/A SER 27.A OG GLY 23.A O no hydrogen 2.679 N/A SER 27.A OG GLN 24.A O no hydrogen 2.762 N/A SER 27.A OG TYR 68.A OH no hydrogen 2.628 N/A LYS 28.A N GLN 24.A O no hydrogen 2.976 N/A LYS 28.A NZ TYR 68.A O no hydrogen 3.136 N/A LEU 29.A N ILE 25.A O no hydrogen 2.964 N/A ARG 30.A N SER 27.A O no hydrogen 2.950 N/A LEU 31.A N LEU 26.A O no hydrogen 2.758 N/A LEU 50.A N PRO 46.A O no hydrogen 3.143 N/A ALA 51.A N GLU 47.A O no hydrogen 2.859 N/A LEU 52.A N ALA 48.A O no hydrogen 2.998 N/A TYR 53.A N VAL 49.A O no hydrogen 2.878 N/A ASN 54.A N LEU 50.A O no hydrogen 2.849 N/A SER 55.A N ALA 51.A O no hydrogen 2.916 N/A SER 55.A OG ALA 51.A O no hydrogen 2.938 N/A THR 56.A N LEU 52.A O no hydrogen 2.996 N/A THR 56.A OG1 TYR 53.A O no hydrogen 2.644 N/A ARG 57.A N TYR 53.A O no hydrogen 3.161 N/A ASP 58.A N ASN 54.A O no hydrogen 2.745 N/A ALA 61.A N TRP 160.A O no hydrogen 3.350 N/A TYR 68.A OH SER 27.A OG no hydrogen 2.628 N/A ALA 70.A N LYS 28.A O no hydrogen 3.008 N/A LYS 71.A NZ THR 221.A OG1 no hydrogen 2.753 N/A THR 74.A N LEU 218.A O no hydrogen 3.047 N/A VAL 76.A N LEU 216.A O no hydrogen 3.194 N/A VAL 79.A N LEU 99.A O no hydrogen 2.995 N/A SER 81.A N HIS 209.A ND1 no hydrogen 3.407 N/A GLN 84.A NE2 ASN 83.A OD1 no hydrogen 3.313 N/A ILE 85.A N GLY 82.A O no hydrogen 3.333 N/A PHE 89.A N ILE 85.A O no hydrogen 2.840 N/A THR 92.A OG1 SER 95.A O no hydrogen 2.718 N/A SER 95.A OG HIS 94.A O no hydrogen 2.639 N/A LEU 96.A N LEU 184.A O no hydrogen 2.844 N/A MET 98.A N PHE 182.A O no hydrogen 2.898 N/A PHE 100.A N GLU 180.A O no hydrogen 2.835 N/A THR 102.A OG1 GLU 177.A O no hydrogen 3.078 N/A SER 103.A N ASN 101.A OD1 no hydrogen 3.069 N/A SER 103.A OG ASN 101.A OD1 no hydrogen 3.336 N/A GLU 104.A N ASN 101.A O no hydrogen 2.983 N/A LEU 105.A N ASN 101.A O no hydrogen 3.370 N/A ARG 106.A N THR 102.A O no hydrogen 2.771 N/A ARG 106.A NE THR 102.A O no hydrogen 3.530 N/A ARG 106.A NH2 SER 103.A OG no hydrogen 2.850 N/A GLU 107.A N SER 103.A O no hydrogen 3.247 N/A ALA 108.A N GLU 104.A O no hydrogen 3.123 N/A VAL 109.A N LEU 105.A O no hydrogen 2.842 N/A LEU 114.A N GLU 111.A O no hydrogen 3.199 N/A SER 116.A N MET 219.A O no hydrogen 2.975 N/A SER 116.A OG MET 219.A O no hydrogen 2.553 N/A ARG 117.A N MET 219.A O no hydrogen 3.090 N/A ALA 118.A N THR 166.A OG1 no hydrogen 2.864 N/A GLU 119.A N LEU 217.A O no hydrogen 3.108 N/A LEU 120.A N PHE 163.A O no hydrogen 2.883 N/A ARG 121.A N PHE 215.A O no hydrogen 3.003 N/A ARG 121.A NH1 SER 55.A O no hydrogen 2.724 N/A ARG 121.A NH2 GLU 119.A OE2 no hydrogen 2.887 N/A LEU 122.A N LEU 161.A O no hydrogen 2.820 N/A ARG 124.A N GLU 159.A O no hydrogen 2.724 N/A ARG 124.A NH1 ALA 153.A O no hydrogen 2.836 N/A ARG 124.A NH2 ALA 153.A O no hydrogen 2.966 N/A GLN 131.A N LEU 152.A O no hydrogen 2.947 N/A VAL 133.A N ARG 150.A O no hydrogen 2.875 N/A GLU 134.A N SER 185.A O no hydrogen 3.090 N/A LEU 135.A N SER 148.A O no hydrogen 2.785 N/A TYR 136.A N ARG 183.A O no hydrogen 2.691 N/A TYR 136.A OH GLU 134.A OE1 no hydrogen 2.710 N/A GLN 137.A N ARG 145.A O no hydrogen 2.774 N/A LYS 138.A N GLY 181.A O no hydrogen 3.200 N/A LYS 138.A NZ GLN 141.A OE1 no hydrogen 2.868 N/A ASP 142.A N SER 140.A OG no hydrogen 3.354 N/A SER 143.A N SER 140.A OG no hydrogen 3.352 N/A SER 143.A OG TRP 144.A O no hydrogen 3.269 N/A LEU 147.A N LEU 135.A O no hydrogen 2.927 N/A ASN 149.A ND2 HIS 132.A NE2 no hydrogen 3.347 N/A ARG 150.A N VAL 133.A O no hydrogen 3.061 N/A ARG 150.A NH1 SER 162.A O no hydrogen 2.817 N/A ARG 150.A NH2 SER 162.A O no hydrogen 2.955 N/A LEU 152.A N GLN 131.A O no hydrogen 2.849 N/A SER 155.A OG ALA 153.A O no hydrogen 3.556 N/A SER 155.A OG GLU 159.A OE1 no hydrogen 3.454 N/A LEU 161.A N LEU 122.A O no hydrogen 2.894 N/A SER 162.A OG GLU 119.A OE1 no hydrogen 3.234 N/A PHE 163.A N LEU 120.A O no hydrogen 2.776 N/A ASP 164.A N GLU 63.A O no hydrogen 3.379 N/A VAL 165.A N ALA 118.A O no hydrogen 2.809 N/A THR 166.A N ASP 164.A OD1 no hydrogen 3.091 N/A THR 166.A OG1 ALA 118.A O no hydrogen 3.420 N/A THR 166.A OG1 ASP 164.A OD1 no hydrogen 2.931 N/A VAL 169.A N VAL 165.A O no hydrogen 3.092 N/A ARG 170.A N THR 166.A O no hydrogen 2.883 N/A ARG 170.A NH2 LEU 115.A O no hydrogen 2.826 N/A GLN 171.A N GLY 167.A O no hydrogen 3.107 N/A TRP 172.A N VAL 168.A O no hydrogen 3.071 N/A LEU 173.A N VAL 169.A O no hydrogen 3.107 N/A THR 174.A N GLN 171.A O no hydrogen 2.980 N/A THR 174.A OG1 GLN 171.A O no hydrogen 2.612 N/A ARG 175.A NH1 GLU 180.A OE2 no hydrogen 3.269 N/A GLU 180.A N PHE 100.A O no hydrogen 3.250 N/A PHE 182.A N MET 98.A O no hydrogen 2.741 N/A ARG 183.A N TYR 136.A O no hydrogen 2.879 N/A LEU 184.A N LEU 96.A O no hydrogen 2.748 N/A SER 185.A N GLU 134.A O no hydrogen 2.915 N/A HIS 187.A N HIS 132.A O no hydrogen 2.952 N/A CYS 190.A SG CYS 188.A O no hydrogen 3.663 N/A ASP 191.A N HIS 198.A O no hydrogen 3.130 N/A LYS 193.A N THR 196.A O no hydrogen 3.089 N/A THR 196.A N LYS 193.A O no hydrogen 3.096 N/A THR 196.A OG1 LYS 193.A O no hydrogen 2.595 N/A HIS 198.A N ASP 191.A O no hydrogen 3.104 N/A HIS 198.A ND1 LEU 197.A O no hydrogen 2.861 N/A ASN 202.A N HIS 187.A O no hydrogen 3.128 N/A PHE 215.A N ARG 121.A O no hydrogen 3.302 N/A LEU 216.A N VAL 76.A O no hydrogen 2.957 N/A LEU 217.A N GLU 119.A O no hydrogen 3.121 N/A LEU 218.A N THR 74.A O no hydrogen 2.669 N/A MET 219.A N ARG 117.A O no hydrogen 2.905 N/A ALA 220.A N GLU 72.A O no hydrogen 2.998 N/A THR 221.A N LEU 114.A O no hydrogen 3.250 N/A ARG 225.A N PRO 222.A O no hydrogen 2.945 N/A ALA 226.A N PRO 222.A O no hydrogen 3.249 N/A GLN 227.A N LEU 223.A O no hydrogen 2.820 N/A ALA 229.A N CYS 337.A O no hydrogen 3.099 N/A ASN 233.A N ASP 231.A OD1 no hydrogen 3.078 N/A TYR 234.A N ASP 231.A OD1 no hydrogen 3.416 N/A TYR 234.A OH GLU 240.A OE1 no hydrogen 2.830 N/A CYS 235.A N ASP 231.A O no hydrogen 3.209 N/A CYS 235.A SG LEU 230.A O no hydrogen 3.568 N/A CYS 235.A SG ASP 231.A O no hydrogen 3.199 N/A SER 237.A N TYR 234.A O no hydrogen 2.896 N/A SER 237.A OG ASN 233.A O no hydrogen 3.429 N/A SER 237.A OG TYR 234.A O no hydrogen 2.663 N/A CYS 243.A N PRO 275.A O no hydrogen 3.132 N/A CYS 244.A N LEU 273.A O no hydrogen 3.220 N/A ARG 246.A N PHE 271.A O no hydrogen 2.699 N/A ARG 246.A NE LEU 273.A O no hydrogen 3.011 N/A ARG 246.A NH2 GLU 240.A O no hydrogen 2.749 N/A ARG 246.A NH2 LEU 273.A O no hydrogen 2.794 N/A LEU 248.A N ASN 270.A OD1 no hydrogen 2.932 N/A ILE 250.A N TYR 267.A O no hydrogen 2.881 N/A ASP 251.A N ASP 255.A OD2 no hydrogen 3.110 N/A ARG 253.A N ASP 251.A OD1 no hydrogen 3.023 N/A ASP 255.A N ASP 251.A O no hydrogen 2.764 N/A LEU 256.A N PHE 252.A O no hydrogen 3.082 N/A TRP 258.A N PHE 252.A O no hydrogen 2.726 N/A HIS 262.A N VAL 317.A O no hydrogen 3.240 N/A TYR 267.A N ILE 250.A O no hydrogen 3.138 N/A ALA 269.A N LEU 248.A O no hydrogen 2.891 N/A ASN 270.A N LEU 248.A O no hydrogen 3.113 N/A ASN 270.A ND2 VAL 334.A O no hydrogen 3.042 N/A PHE 271.A N ARG 246.A O no hydrogen 3.092 N/A LEU 273.A N CYS 244.A O no hydrogen 3.046 N/A CYS 276.A SG GLY 274.A O no hydrogen 3.997 N/A SER 281.A N TYR 278.A O no hydrogen 2.873 N/A SER 281.A OG TYR 278.A O no hydrogen 2.593 N/A GLN 285.A N GLN 285.A OE1 no hydrogen 2.775 N/A GLN 285.A NE2 HIS 228.A O no hydrogen 3.523 N/A LEU 290.A N TYR 286.A O no hydrogen 2.955 N/A LEU 292.A N VAL 289.A O no hydrogen 3.035 N/A TYR 293.A OH PRO 277.A O no hydrogen 2.502 N/A ASN 294.A N ALA 291.A O no hydrogen 3.364 N/A SER 301.A OG SER 340.A O no hydrogen 3.174 N/A SER 301.A OG SER 340.A OXT no hydrogen 3.440 N/A CYS 305.A SG ALA 303.A O no hydrogen 3.161 N/A VAL 307.A N LYS 338.A O no hydrogen 3.027 N/A GLN 309.A N SER 336.A O no hydrogen 2.945 N/A ALA 310.A N SER 336.A OG no hydrogen 2.802 N/A GLU 312.A N ILE 333.A O no hydrogen 2.875 N/A LEU 314.A N LEU 329.A O no hydrogen 2.886 N/A ILE 316.A N GLU 327.A O no hydrogen 2.869 N/A VAL 317.A N GLU 263.A O no hydrogen 2.794 N/A TYR 318.A N LYS 325.A O no hydrogen 3.042 N/A VAL 320.A N LYS 323.A O no hydrogen 2.976 N/A LYS 325.A N TYR 318.A O no hydrogen 2.965 N/A GLU 327.A N ILE 316.A O no hydrogen 3.251 N/A LEU 329.A N LEU 314.A O no hydrogen 2.896 N/A MET 332.A N GLU 312.A O no hydrogen 2.721 N/A ILE 333.A N GLU 312.A O no hydrogen 2.763 N/A VAL 334.A N ALA 269.A O no hydrogen 3.016 N/A ARG 335.A N ALA 310.A O no hydrogen 2.870 N/A ARG 335.A NE GLU 312.A OE2 no hydrogen 3.063 N/A ARG 335.A NH1 THR 232.A OG1 no hydrogen 2.828 N/A ARG 335.A NH2 GLU 312.A OE1 no hydrogen 2.906 N/A SER 336.A N ALA 310.A O no hydrogen 3.280 N/A CYS 337.A N LEU 230.A O no hydrogen 3.298 N/A LYS 338.A N VAL 307.A O no hydrogen 2.831 N/A LYS 338.A NZ GLN 295.A OE1 no hydrogen 2.691 N/A CYS 339.A N LEU 292.A O no hydrogen 3.046 N/A