Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xkb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 1.A OD2 no hydrogen 3.157 N/A THR 4.A OG1 ASP 1.A OD1 no hydrogen 2.754 N/A THR 4.A OG1 ASP 1.A OD2 no hydrogen 3.419 N/A GLU 5.A N ASP 1.A O no hydrogen 3.019 N/A LEU 6.A N ASN 2.A O no hydrogen 3.041 N/A SER 7.A N LEU 3.A O no hydrogen 2.887 N/A GLN 8.A N THR 4.A O no hydrogen 3.071 N/A GLN 9.A N GLU 5.A O no hydrogen 3.123 N/A GLN 9.A N LEU 6.A O no hydrogen 2.965 N/A LEU 10.A N SER 7.A O no hydrogen 3.203 N/A THR 14.A OG1 LYS 11.A O no hydrogen 2.930 N/A ILE 16.A N GLN 12.A O no hydrogen 3.119 N/A ALA 17.A N LEU 13.A O no hydrogen 2.899 N/A ALA 18.A N THR 14.A O no hydrogen 3.033 N/A LEU 19.A N ALA 15.A O no hydrogen 2.808 N/A ALA 20.A N ILE 16.A O no hydrogen 3.054 N/A GLU 21.A N ALA 17.A O no hydrogen 3.328 N/A GLU 21.A N ALA 18.A O no hydrogen 3.194 N/A MET 22.A N LEU 19.A O no hydrogen 3.139 N/A GLY 26.A N MET 22.A O no hydrogen 3.313 N/A GLN 27.A N GLY 23.A O no hydrogen 2.902 N/A GLN 27.A NE2 ALA 20.A O no hydrogen 3.266 N/A GLY 28.A N GLU 24.A O no hydrogen 2.794 N/A ILE 29.A N GLY 25.A O no hydrogen 3.176 N/A LEU 30.A N GLY 26.A O no hydrogen 3.166 N/A LEU 31.A N GLN 27.A O no hydrogen 2.921 N/A ASP 32.A N GLY 28.A O no hydrogen 2.952 N/A TYR 33.A N ILE 29.A O no hydrogen 3.018 N/A LEU 34.A N LEU 30.A O no hydrogen 3.120 N/A ALA 35.A N LEU 31.A O no hydrogen 3.024 N/A LYS 36.A N ASP 32.A O no hydrogen 3.073 N/A LYS 36.A N TYR 33.A O no hydrogen 3.199 N/A LYS 36.A NZ ASP 32.A OD2.A no hydrogen 2.255 N/A ASN 37.A N LEU 34.A O no hydrogen 2.955 N/A ASN 37.A ND2 TYR 33.A O no hydrogen 2.842 N/A VAL 38.A N LEU 34.A O no hydrogen 2.898 N/A LEU 40.A N ILE 74.A O no hydrogen 2.952 N/A VAL 47.A N VAL 44.A O no hydrogen 3.035 N/A GLY 48.A N VAL 44.A O no hydrogen 3.283 N/A ASN 49.A N LEU 45.A O no hydrogen 2.791 N/A ASN 49.A ND2 ASN 147.A OD1 no hydrogen 2.842 N/A VAL 50.A N ALA 46.A O no hydrogen 2.845 N/A TYR 51.A N VAL 47.A O no hydrogen 3.068 N/A GLN 52.A N GLY 48.A O no hydrogen 2.905 N/A GLN 52.A NE2 ASN 56.A OD1 no hydrogen 3.012 N/A GLN 52.A NE2 GLY 93.A O no hydrogen 2.972 N/A THR 53.A N ASN 49.A O no hydrogen 2.874 N/A THR 53.A OG1 ASN 49.A O no hydrogen 2.694 N/A LEU 54.A N VAL 50.A O no hydrogen 3.051 N/A ARG 55.A N TYR 51.A O no hydrogen 2.908 N/A ARG 55.A NH1 TYR 51.A OH no hydrogen 2.928 N/A ASN 56.A N GLN 52.A O no hydrogen 2.798 N/A LEU 57.A N LEU 54.A O no hydrogen 3.199 N/A GLU 58.A N ARG 55.A O no hydrogen 3.087 N/A THR 63.A N GLN 59.A O no hydrogen 2.885 N/A THR 63.A OG1 GLN 59.A O no hydrogen 3.133 N/A THR 64.A N GLU 60.A O no hydrogen 2.735 N/A THR 64.A OG1 GLU 60.A O no hydrogen 2.928 N/A GLN 65.A N THR 61.A O no hydrogen 2.905 N/A LEU 66.A N ILE 62.A O no hydrogen 2.899 N/A GLN 67.A N THR 63.A O no hydrogen 2.962 N/A ARG 68.A N THR 64.A O no hydrogen 2.945 N/A ASN 69.A N GLN 65.A O no hydrogen 2.878 N/A ASN 69.A ND2 GLN 65.A O no hydrogen 3.014 N/A TYR 70.A N LEU 66.A O no hydrogen 2.772 N/A GLY 73.A N TYR 70.A O no hydrogen 2.925 N/A SER 79.A OG ASP 134.A OD2 no hydrogen 2.566 N/A ALA 80.A N ASP 134.A OD1 no hydrogen 2.754 N/A GLN 81.A N SER 79.A OG no hydrogen 3.017 N/A GLN 81.A NE2.B LEU 111.A O no hydrogen 3.168 N/A GLY 82.A N SER 79.A O no hydrogen 3.376 N/A ILE 83.A N SER 79.A OG no hydrogen 2.987 N/A TYR 85.A OH ASP 134.A OD2 no hydrogen 2.708 N/A LEU 86.A N ASP 84.A OD1 no hydrogen 2.945 N/A GLN 89.A N TYR 85.A O no hydrogen 3.048 N/A GLN 89.A NE2 TYR 51.A OH no hydrogen 3.439 N/A GLU 90.A N LEU 86.A O no hydrogen 2.809 N/A ALA 91.A N PRO 87.A O no hydrogen 3.059 N/A LEU 92.A N LEU 88.A O no hydrogen 3.029 N/A GLY 93.A N GLN 89.A O no hydrogen 2.795 N/A SER 94.A N GLU 90.A O no hydrogen 3.074 N/A SER 94.A OG GLU 90.A O no hydrogen 3.180 N/A GLN 95.A N LEU 92.A O no hydrogen 2.920 N/A GLN 95.A NE2 LEU 92.A O no hydrogen 2.872 N/A GLN 95.A NE2 HIS 145.A O no hydrogen 2.937 N/A ASP 96.A N ALA 91.A O no hydrogen 2.896 N/A THR 99.A N ASP 96.A OD1 no hydrogen 3.178 N/A THR 99.A OG1 ASP 96.A OD1 no hydrogen 3.211 N/A THR 99.A OG1 ASP 96.A OD2 no hydrogen 2.703 N/A ALA 100.A N ASP 96.A O no hydrogen 2.991 N/A ASP 101.A N PHE 97.A O no hydrogen 2.868 N/A GLU 102.A N GLU 98.A O no hydrogen 3.101 N/A ILE 103.A N THR 99.A O no hydrogen 2.907 N/A THR 104.A N ALA 100.A O no hydrogen 2.903 N/A THR 104.A OG1 ALA 100.A O no hydrogen 2.801 N/A ARG 105.A N ASP 101.A O no hydrogen 3.054 N/A ARG 105.A NH1.B ASP 101.A OD2 no hydrogen 3.173 N/A ARG 105.A NH2.A ASP 101.A OD2 no hydrogen 3.097 N/A ASP 106.A N GLU 102.A O no hydrogen 3.062 N/A LYS 107.A N ILE 103.A O no hydrogen 2.773 N/A LYS 107.A NZ ASP 84.A O no hydrogen 3.046 N/A LYS 107.A NZ GLU 110.A OE1 no hydrogen 2.847 N/A LEU 108.A N THR 104.A O no hydrogen 2.929 N/A CYS 109.A N ARG 105.A O no hydrogen 3.302 N/A CYS 109.A SG ARG 105.A O no hydrogen 3.802 N/A CYS 109.A SG ALA 116.A O no hydrogen 3.752 N/A GLU 110.A N ASP 106.A O no hydrogen 2.953 N/A LEU 111.A N LYS 107.A O no hydrogen 2.806 N/A ALA 112.A N LEU 108.A O no hydrogen 3.036 N/A GLY 113.A N CYS 109.A O no hydrogen 3.094 N/A GLY 113.A N GLU 110.A O no hydrogen 3.209 N/A SER 117.A N GLY 113.A O no hydrogen 2.953 N/A SER 117.A OG CYS 109.A O no hydrogen 3.293 N/A SER 117.A OG GLY 113.A O no hydrogen 3.017 N/A GLN 118.A N PRO 114.A O no hydrogen 2.882 N/A ARG 119.A N GLY 115.A O no hydrogen 2.969 N/A ARG 119.A NH1 TRP 121.A O no hydrogen 2.857 N/A ARG 119.A NH1 GLU 126.A OE1 no hydrogen 2.916 N/A ARG 119.A NH1 GLU 126.A OE2 no hydrogen 3.367 N/A ARG 119.A NH2 GLU 126.A OE2 no hydrogen 2.960 N/A GLN 120.A N ALA 116.A O no hydrogen 2.761 N/A GLN 120.A NE2.B SER 117.A O no hydrogen 2.636 N/A TYR 123.A N GLU 126.A OE1 no hydrogen 2.984 N/A GLU 126.A N TYR 123.A O no hydrogen 2.960 N/A VAL 127.A N TYR 123.A O no hydrogen 3.320 N/A GLU 128.A N PHE 124.A O no hydrogen 2.995 N/A LYS 129.A N THR 125.A O no hydrogen 3.313 N/A LYS 129.A N GLU 126.A O no hydrogen 3.156 N/A PHE 130.A N VAL 127.A O no hydrogen 3.103 N/A HIS 136.A N ALA 132.A O no hydrogen 2.922 N/A THR 137.A N LEU 133.A O no hydrogen 2.977 N/A THR 137.A OG1 GLN 78.A O no hydrogen 2.738 N/A THR 137.A OG1 LEU 133.A O no hydrogen 3.228 N/A ILE 138.A N ASP 134.A O no hydrogen 2.919 N/A ASN 139.A N LEU 135.A O no hydrogen 2.871 N/A ASN 139.A ND2 SER 153.A OG no hydrogen 2.898 N/A ALA 140.A N HIS 136.A O no hydrogen 2.808 N/A LEU 141.A N THR 137.A O no hydrogen 3.038 N/A TRP 142.A N ILE 138.A O no hydrogen 3.190 N/A TRP 142.A NE1 THR 104.A OG1 no hydrogen 2.877 N/A TRP 143.A N ASN 139.A O no hydrogen 2.890 N/A LEU 144.A N ALA 140.A O no hydrogen 2.779 N/A HIS 145.A N LEU 141.A O no hydrogen 3.155 N/A HIS 145.A ND1 GLN 52.A OE1 no hydrogen 2.774 N/A SER 146.A N TRP 143.A O no hydrogen 3.285 N/A SER 146.A OG TRP 142.A O no hydrogen 2.645 N/A SER 146.A OG TRP 143.A O no hydrogen 3.381 N/A GLY 148.A N TRP 143.A O no hydrogen 3.000 N/A ASN 149.A N SER 146.A O no hydrogen 2.953 N/A ASN 149.A ND2.A ALA 194.A O no hydrogen 3.119 N/A ASN 149.A ND2.B SER 146.A O no hydrogen 3.090 N/A PHE 150.A N SER 146.A OG no hydrogen 2.879 N/A GLY 151.A N LEU 199.A O no hydrogen 2.941 N/A SER 153.A N ASN 139.A OD1 no hydrogen 2.889 N/A VAL 154.A N GLY 151.A O no hydrogen 3.112 N/A GLN 155.A N GLY 151.A O no hydrogen 3.224 N/A GLN 155.A NE2 GLY 197.A O no hydrogen 3.001 N/A GLN 155.A NE2 PRO 200.A O no hydrogen 2.832 N/A ARG 156.A N PHE 152.A O no hydrogen 2.820 N/A ARG 156.A NE TYR 215.A O no hydrogen 3.325 N/A ARG 157.A N SER 153.A O no hydrogen 3.057 N/A ARG 157.A NE TRP 225.A O no hydrogen 2.749 N/A ARG 157.A NH2 TRP 225.A O no hydrogen 3.462 N/A ARG 157.A NH2 TRP 225.A OXT no hydrogen 2.882 N/A LEU 158.A N VAL 154.A O no hydrogen 3.061 N/A TRP 159.A N GLN 155.A O no hydrogen 2.785 N/A LEU 160.A N ARG 156.A O no hydrogen 2.896 N/A ALA 161.A N ARG 157.A O no hydrogen 2.982 N/A SER 162.A N TRP 159.A O no hydrogen 2.931 N/A SER 162.A OG LEU 158.A O no hydrogen 2.620 N/A GLY 163.A N LEU 160.A O no hydrogen 3.352 N/A LYS 164.A N TRP 159.A O no hydrogen 2.901 N/A GLU 165.A N SER 162.A O no hydrogen 3.008 N/A LYS 168.A N GLU 165.A O no hydrogen 2.960 N/A LYS 168.A NZ GLU 165.A OE1 no hydrogen 3.275 N/A LYS 168.A NZ GLU 165.A OE2 no hydrogen 3.071 N/A LEU 169.A N GLU 165.A O no hydrogen 3.105 N/A TRP 170.A N PHE 166.A O no hydrogen 3.034 N/A LYS 172.A NZ SER 162.A OG no hydrogen 2.859 N/A ILE 173.A N LEU 169.A O no hydrogen 3.140 N/A GLY 174.A N PRO 171.A O no hydrogen 3.289 N/A TRP 175.A N TRP 170.A O no hydrogen 2.880 N/A TRP 175.A NE1 HIS 198.A O no hydrogen 2.833 N/A SER 177.A N VAL 180.A O no hydrogen 2.822 N/A VAL 180.A N SER 177.A O no hydrogen 3.036 N/A THR 182.A N TRP 175.A O no hydrogen 2.878 N/A THR 182.A OG1 GLY 174.A O no hydrogen 2.773 N/A GLY 187.A N ARG 183.A O no hydrogen 2.773 N/A PHE 188.A N PRO 185.A O no hydrogen 3.453 N/A THR 189.A N HIS 198.A NE2 no hydrogen 2.957 N/A TRP 190.A NE1 PRO 185.A O no hydrogen 3.170 N/A SER 193.A N ASP 191.A OD2 no hydrogen 2.816 N/A SER 193.A OG ASP 191.A OD2 no hydrogen 2.504 N/A ALA 194.A N ASP 191.A O no hydrogen 3.097 N/A GLY 197.A N ASN 149.A O no hydrogen 2.743 N/A HIS 198.A N PRO 195.A O no hydrogen 3.046 N/A HIS 198.A ND1 ILE 173.A O no hydrogen 2.760 N/A LEU 201.A N ASP 101.A OD1 no hydrogen 2.834 N/A GLN 204.A NE2 LEU 202.A O no hydrogen 2.995 N/A LEU 205.A N ASN 203.A OD1 no hydrogen 2.928 N/A GLY 207.A N GLN 204.A O no hydrogen 2.901 N/A GLU 212.A N VAL 208.A O no hydrogen 2.844 N/A SER 213.A N ARG 209.A O no hydrogen 2.952 N/A SER 213.A OG GLU 128.A OE2 no hydrogen 3.373 N/A SER 213.A OG ARG 209.A O no hydrogen 3.169 N/A LEU 214.A N VAL 210.A O no hydrogen 2.884 N/A TYR 215.A N ALA 211.A O no hydrogen 2.876 N/A TYR 215.A OH GLN 155.A OE1 no hydrogen 2.685 N/A ARG 216.A N GLU 212.A O no hydrogen 2.958 N/A ARG 216.A NE GLU 212.A OE1 no hydrogen 2.883 N/A ARG 216.A NH2 GLU 212.A OE1 no hydrogen 3.429 N/A HIS 217.A N LEU 214.A O no hydrogen 3.192 N/A HIS 217.A NE2 PHE 130.A O no hydrogen 2.783 N/A VAL 219.A N HIS 217.A ND1 no hydrogen 3.005 N/A TRP 220.A NE1 LEU 214.A O no hydrogen 2.791 N/A GLN 222.A N PRO 218.A O no hydrogen 2.992 N/A TYR 223.A N VAL 219.A O no hydrogen 2.967 N/A GLY 224.A N SER 221.A O no hydrogen 3.311 N/A TRP 225.A N TRP 220.A O no hydrogen 2.781 N/A TRP 225.A NE1 HIS 136.A ND1 no hydrogen 2.867 N/A