Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rkb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 22.A O no hydrogen 3.187 N/A VAL 7.A N LYS 20.A O no hydrogen 2.770 N/A ILE 10.A N VAL 18.A O no hydrogen 2.578 N/A GLY 11.A N VAL 18.A O no hydrogen 3.086 N/A GLY 13.A N GLY 16.A O no hydrogen 2.572 N/A VAL 17.A N LYS 34.A O no hydrogen 3.345 N/A VAL 18.A N GLY 11.A O no hydrogen 2.773 N/A TYR 19.A N LEU 32.A O no hydrogen 2.724 N/A LYS 20.A N GLU 8.A O no hydrogen 2.844 N/A ALA 21.A N VAL 30.A O no hydrogen 2.868 N/A ARG 22.A N GLN 5.A O no hydrogen 3.092 N/A ARG 22.A NH1 GLY 27.A O no hydrogen 3.355 N/A ASN 23.A N GLU 28.A O no hydrogen 2.696 N/A LYS 24.A N ASN 3.A O no hydrogen 3.120 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.985 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.988 N/A GLY 27.A N ASN 23.A O no hydrogen 2.839 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.405 N/A VAL 30.A N ALA 21.A O no hydrogen 2.719 N/A ALA 31.A N PHE 76.A O no hydrogen 2.807 N/A LEU 32.A N TYR 19.A O no hydrogen 2.673 N/A LYS 33.A N LEU 74.A O no hydrogen 2.778 N/A LYS 34.A N VAL 17.A O no hydrogen 3.119 N/A ILE 35.A N LEU 72.A O no hydrogen 2.504 N/A THR 37.A OG1 ARG 36.A O no hydrogen 2.616 N/A ALA 44.A N PRO 41.A O no hydrogen 3.232 N/A ILE 45.A N PRO 41.A O no hydrogen 3.446 N/A ARG 46.A N SER 42.A O no hydrogen 3.166 N/A ILE 48.A N ALA 44.A O no hydrogen 2.528 N/A SER 49.A OG ILE 45.A O no hydrogen 2.913 N/A LEU 50.A N GLU 47.A O no hydrogen 3.331 N/A LYS 52.A N ILE 48.A O no hydrogen 3.238 N/A GLU 53.A N LEU 50.A O no hydrogen 2.857 N/A LEU 54.A N LEU 51.A O no hydrogen 3.016 N/A ASN 55.A N GLU 53.A O no hydrogen 2.926 N/A ASN 55.A ND2 LYS 52.A O no hydrogen 3.436 N/A ASN 58.A ND2 GLN 106.A OE1 no hydrogen 3.012 N/A ASN 58.A ND2 ILE 137.A O no hydrogen 2.991 N/A ILE 59.A N HIS 56.A O no hydrogen 3.050 N/A VAL 60.A N LEU 139.A O no hydrogen 2.842 N/A LYS 61.A N GLU 77.A OE2 no hydrogen 2.677 N/A LEU 63.A N VAL 75.A O no hydrogen 2.699 N/A ASP 64.A N VAL 75.A O no hydrogen 3.187 N/A ILE 66.A N TYR 73.A O no hydrogen 2.850 N/A THR 68.A N LYS 71.A O no hydrogen 2.780 N/A LYS 71.A N THR 68.A O no hydrogen 2.848 N/A LEU 72.A N ILE 35.A O no hydrogen 3.412 N/A TYR 73.A N ILE 66.A O no hydrogen 2.803 N/A LEU 74.A N LYS 33.A O no hydrogen 2.636 N/A VAL 75.A N ASP 64.A O no hydrogen 2.716 N/A PHE 76.A N ALA 31.A O no hydrogen 2.784 N/A GLU 77.A N LYS 61.A O no hydrogen 3.013 N/A ASP 82.A N GLN 81.A OE1.B no hydrogen 2.962 N/A LEU 83.A N LEU 129.A O no hydrogen 2.685 N/A LYS 84.A N PRO 126.A O no hydrogen 3.355 N/A LYS 84.A NZ ASP 88.A OD2 no hydrogen 3.262 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 2.789 N/A LYS 85.A NZ ASP 82.A OD2 no hydrogen 2.581 N/A PHE 86.A N ASP 82.A O no hydrogen 3.067 N/A MET 87.A N LEU 83.A O no hydrogen 2.755 N/A ASP 88.A N LYS 84.A O no hydrogen 3.025 N/A ALA 89.A N LYS 85.A O no hydrogen 2.852 N/A SER 90.A N PHE 86.A O no hydrogen 2.995 N/A SER 90.A N MET 87.A O no hydrogen 3.023 N/A SER 90.A OG PHE 86.A O no hydrogen 2.807 N/A ALA 91.A N ASP 88.A O no hydrogen 3.219 N/A THR 93.A OG1 GLY 94.A O no hydrogen 3.495 N/A GLY 94.A N SER 90.A O no hydrogen 2.463 N/A LEU 99.A N PRO 96.A O no hydrogen 3.031 N/A ILE 100.A N PRO 96.A O no hydrogen 3.081 N/A LYS 101.A N LEU 97.A O no hydrogen 2.829 N/A LYS 101.A NZ PHE 281.A O no hydrogen 3.250 N/A LYS 101.A NZ ASP 284.A OD1 no hydrogen 2.683 N/A LYS 101.A NZ ASP 284.A OD2 no hydrogen 3.478 N/A SER 102.A N PRO 98.A O no hydrogen 3.022 N/A TYR 103.A N LEU 99.A O no hydrogen 2.888 N/A LEU 104.A N ILE 100.A O no hydrogen 2.911 N/A PHE 105.A N LYS 101.A O no hydrogen 2.916 N/A GLN 106.A N SER 102.A O no hydrogen 2.889 N/A GLN 106.A NE2 SER 102.A O no hydrogen 3.506 N/A GLN 106.A NE2 SER 102.A OG no hydrogen 2.913 N/A GLN 106.A NE2 GLY 135.A O no hydrogen 2.840 N/A LEU 107.A N TYR 103.A O no hydrogen 2.876 N/A LEU 108.A N LEU 104.A O no hydrogen 2.937 N/A GLN 109.A N PHE 105.A O no hydrogen 3.068 N/A GLN 109.A NE2 PHE 105.A O no hydrogen 3.469 N/A GLY 110.A N GLN 106.A O no hydrogen 2.908 N/A LEU 111.A N LEU 107.A O no hydrogen 2.881 N/A ALA 112.A N LEU 108.A O no hydrogen 2.764 N/A PHE 113.A N GLN 109.A O no hydrogen 3.011 N/A CYS 114.A N GLY 110.A O no hydrogen 2.966 N/A CYS 114.A SG GLY 110.A O no hydrogen 3.409 N/A HIS 115.A N LEU 111.A O no hydrogen 2.687 N/A HIS 115.A NE2 ASP 181.A OD2 no hydrogen 2.924 N/A SER 116.A N ALA 112.A O no hydrogen 2.844 N/A SER 116.A OG ALA 112.A O no hydrogen 3.145 N/A SER 116.A OG PHE 113.A O no hydrogen 2.888 N/A HIS 117.A N PHE 113.A O no hydrogen 3.165 N/A HIS 117.A N CYS 114.A O no hydrogen 3.002 N/A ARG 118.A N HIS 115.A O no hydrogen 3.069 N/A VAL 119.A N CYS 114.A O no hydrogen 2.790 N/A HIS 121.A N ASP 181.A OD2 no hydrogen 2.762 N/A ARG 122.A N ASP 181.A OD1 no hydrogen 2.791 N/A ASN 128.A N LYS 125.A O no hydrogen 2.901 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.823 N/A LEU 129.A N PRO 126.A O no hydrogen 3.120 N/A LEU 130.A N LYS 138.A O no hydrogen 2.878 N/A ILE 131.A N GLN 81.A O no hydrogen 2.844 N/A ASN 132.A N ALA 136.A O no hydrogen 3.342 N/A GLU 134.A N ASN 132.A OD1 no hydrogen 3.046 N/A GLY 135.A N ASN 132.A O no hydrogen 3.370 N/A ALA 136.A N ASN 132.A OD1 no hydrogen 3.040 N/A ILE 137.A N GLN 106.A OE1 no hydrogen 3.131 N/A LYS 138.A N LEU 130.A O no hydrogen 2.635 N/A LYS 138.A NZ GLU 77.A OE1 no hydrogen 3.164 N/A LYS 138.A NZ GLU 77.A OE2 no hydrogen 3.185 N/A LEU 139.A N ASN 58.A O no hydrogen 2.907 N/A ALA 140.A N ASN 128.A O no hydrogen 2.915 N/A ARG 146.A NH1 ARG 146.A O no hydrogen 3.330 N/A THR 154.A OG1 THR 14.A O no hydrogen 3.076 N/A TYR 155.A OH GLU 158.A OE2 no hydrogen 3.152 N/A HIS 157.A N THR 154.A O no hydrogen 2.550 N/A HIS 157.A ND1 TYR 155.A O no hydrogen 2.966 N/A TYR 164.A OH GLU 191.A OE1 no hydrogen 2.545 N/A TYR 164.A OH GLU 191.A OE2 no hydrogen 3.425 N/A ARG 165.A N LEU 162.A O no hydrogen 3.130 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.673 N/A ILE 169.A N ALA 166.A O no hydrogen 3.080 N/A LEU 170.A N ALA 166.A O no hydrogen 3.272 N/A LEU 171.A N PRO 167.A O no hydrogen 2.892 N/A GLY 172.A N ILE 169.A O no hydrogen 3.093 N/A CYS 173.A N GLU 168.A O no hydrogen 2.850 N/A CYS 173.A SG TYR 175.A O no hydrogen 3.641 N/A ALA 179.A N SER 177.A OG no hydrogen 2.998 N/A VAL 180.A N SER 177.A O no hydrogen 2.997 N/A ASP 181.A N THR 178.A O no hydrogen 3.170 N/A TRP 183.A N ALA 179.A O no hydrogen 3.161 N/A SER 184.A N VAL 180.A O no hydrogen 3.174 N/A SER 184.A OG TYR 164.A O no hydrogen 2.669 N/A SER 184.A OG VAL 180.A O no hydrogen 3.077 N/A LEU 185.A N ASP 181.A O no hydrogen 2.935 N/A GLY 186.A N ILE 182.A O no hydrogen 2.834 N/A CYS 187.A N TRP 183.A O no hydrogen 2.961 N/A CYS 187.A SG TRP 163.A O no hydrogen 4.042 N/A CYS 187.A SG TRP 183.A O no hydrogen 3.565 N/A ILE 188.A N SER 184.A O no hydrogen 3.022 N/A PHE 189.A N LEU 185.A O no hydrogen 2.829 N/A ALA 190.A N GLY 186.A O no hydrogen 3.064 N/A GLU 191.A N CYS 187.A O no hydrogen 3.058 N/A MET 192.A N ILE 188.A O no hydrogen 2.898 N/A VAL 193.A N PHE 189.A O no hydrogen 3.089 N/A THR 194.A N ALA 190.A O no hydrogen 2.873 N/A THR 194.A OG1 ALA 190.A O no hydrogen 3.110 N/A ARG 195.A N GLU 191.A O no hydrogen 2.778 N/A ARG 195.A NE ALA 91.A O no hydrogen 3.183 N/A ARG 195.A NH2 ALA 91.A O no hydrogen 3.058 N/A ARG 196.A N THR 194.A OG1 no hydrogen 3.297 N/A GLY 201.A N PHE 199.A O no hydrogen 2.912 N/A GLY 201.A N GLN 207.A OE1 no hydrogen 2.819 N/A ASP 202.A N ASP 206.A OD2 no hydrogen 2.907 N/A ASP 206.A N SER 203.A OG no hydrogen 2.940 N/A GLN 207.A N SER 203.A O no hydrogen 2.816 N/A GLN 207.A NE2 TRP 163.A O no hydrogen 3.207 N/A GLN 207.A NE2 PHE 199.A O no hydrogen 2.935 N/A LEU 208.A N GLU 204.A O no hydrogen 3.015 N/A PHE 209.A N ILE 205.A O no hydrogen 2.862 N/A ARG 210.A N ASP 206.A O no hydrogen 2.840 N/A ARG 210.A NE ASP 206.A OD2 no hydrogen 3.030 N/A ILE 211.A N GLN 207.A O no hydrogen 3.087 N/A PHE 212.A N LEU 208.A O no hydrogen 2.928 N/A ARG 213.A N PHE 209.A O no hydrogen 2.831 N/A THR 214.A N ARG 210.A O no hydrogen 3.243 N/A THR 214.A N ILE 211.A O no hydrogen 3.106 N/A THR 214.A OG1 ARG 210.A O no hydrogen 3.385 N/A LEU 215.A N ILE 211.A O no hydrogen 2.803 N/A GLY 216.A N PHE 212.A O no hydrogen 2.725 N/A THR 217.A N TRP 239.A O no hydrogen 2.875 N/A THR 217.A OG1 PRO 237.A O no hydrogen 2.723 N/A VAL 222.A N ASP 219.A OD1 no hydrogen 3.032 N/A TRP 223.A N ASP 219.A O no hydrogen 2.839 N/A GLY 225.A N GLU 220.A OE1 no hydrogen 2.698 N/A VAL 226.A N TRP 223.A O no hydrogen 2.955 N/A THR 227.A N GLU 220.A OE2 no hydrogen 3.062 N/A THR 227.A OG1 GLU 220.A OE2 no hydrogen 2.659 N/A SER 228.A N GLY 225.A O no hydrogen 3.019 N/A MET 229.A N VAL 226.A O no hydrogen 3.078 N/A ASP 231.A N LEU 171.A O no hydrogen 2.799 N/A TYR 232.A N MET 229.A O no hydrogen 3.172 N/A PHE 236.A N LYS 233.A O no hydrogen 3.007 N/A TRP 239.A N THR 217.A OG1 no hydrogen 2.856 N/A ARG 241.A NH1 LEU 215.A O no hydrogen 2.996 N/A GLN 242.A N THR 214.A O no hydrogen 2.964 N/A SER 245.A N ASP 243.A OD1 no hydrogen 2.678 N/A LYS 246.A N ASP 243.A O no hydrogen 2.959 N/A LYS 246.A NZ GLN 242.A OE1 no hydrogen 2.698 N/A VAL 247.A N ASP 243.A O no hydrogen 3.314 N/A VAL 248.A N PHE 244.A O no hydrogen 3.064 N/A LEU 251.A N VAL 248.A O no hydrogen 2.899 N/A GLY 255.A N ASP 252.A OD1 no hydrogen 2.792 N/A ARG 256.A N ASP 252.A O no hydrogen 2.872 N/A ARG 256.A NH1 LEU 251.A O no hydrogen 2.621 N/A SER 257.A N GLU 253.A O no hydrogen 2.789 N/A SER 257.A OG HIS 279.A NE2 no hydrogen 3.060 N/A LEU 258.A N ASP 254.A O no hydrogen 3.049 N/A LEU 259.A N GLY 255.A O no hydrogen 2.842 N/A SER 260.A N ARG 256.A O no hydrogen 2.971 N/A SER 260.A OG SER 257.A O no hydrogen 2.783 N/A GLN 261.A N SER 257.A O no hydrogen 3.150 N/A MET 262.A N LEU 258.A O no hydrogen 2.992 N/A MET 262.A N LEU 259.A O no hydrogen 2.915 N/A LEU 263.A N LEU 259.A O no hydrogen 2.903 N/A LEU 263.A N SER 260.A O no hydrogen 3.297 N/A TYR 265.A OH GLY 216.A O no hydrogen 2.671 N/A ASN 268.A N ASP 266.A OD1 no hydrogen 2.908 N/A LYS 269.A N ASP 266.A O no hydrogen 2.666 N/A ARG 270.A N ASP 266.A O no hydrogen 2.957 N/A ARG 270.A NE HIS 264.A O no hydrogen 2.967 N/A ARG 270.A NH1 GLU 168.A OE1 no hydrogen 3.467 N/A ARG 270.A NH1 GLU 168.A OE2 no hydrogen 2.820 N/A ARG 270.A NH1 ALA 179.A O no hydrogen 2.800 N/A ARG 270.A NH2 GLU 168.A OE1 no hydrogen 2.891 N/A ARG 270.A NH2 GLU 168.A OE2 no hydrogen 3.503 N/A ARG 270.A NH2 HIS 264.A O no hydrogen 3.295 N/A ARG 270.A NH2 TYR 265.A O no hydrogen 3.017 N/A ILE 271.A N GLN 261.A O no hydrogen 3.009 N/A ALA 275.A N SER 272.A OG no hydrogen 3.070 N/A ALA 276.A N SER 272.A O no hydrogen 2.907 N/A LEU 277.A N ALA 273.A O no hydrogen 3.053 N/A LEU 277.A N LYS 274.A O no hydrogen 3.248 N/A ALA 278.A N ALA 275.A O no hydrogen 2.887 N/A HIS 279.A N ALA 276.A O no hydrogen 3.011 N/A HIS 279.A NE2 SER 257.A OG no hydrogen 3.060 N/A PHE 281.A N HIS 279.A ND1 no hydrogen 2.948 N/A PHE 282.A N HIS 279.A O no hydrogen 2.956 N/A GLN 283.A N PRO 280.A O no hydrogen 3.102 N/A VAL 285.A N PHE 282.A O no hydrogen 3.188 N/A