Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kxq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 ARG 30.A O no hydrogen 3.325 N/A PHE 4.A N ASN 214.A O no hydrogen 2.892 N/A ILE 5.A N GLU 33.A O no hydrogen 2.854 N/A ALA 6.A N ALA 216.A O no hydrogen 2.934 N/A GLY 7.A N LEU 35.A O no hydrogen 2.743 N/A ASN 8.A N ILE 218.A O no hydrogen 2.829 N/A TRP 9.A N CYS 37.A O no hydrogen 3.155 N/A TRP 9.A NE1 SER 222.A O no hydrogen 2.854 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 2.996 N/A LYS 10.A NZ GLU 93.A OE2 no hydrogen 2.751 N/A ASN 12.A ND2 TRP 9.A O no hydrogen 2.864 N/A THR 14.A N SER 17.A OG no hydrogen 3.118 N/A THR 14.A OG1 GLU 16.A OE1 no hydrogen 2.353 N/A GLU 16.A N THR 14.A OG1 no hydrogen 3.316 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.862 N/A SER 17.A N THR 14.A O no hydrogen 2.815 N/A SER 17.A OG THR 14.A O no hydrogen 3.359 N/A LEU 18.A N GLY 15.A O no hydrogen 3.249 N/A LEU 21.A N SER 17.A O no hydrogen 3.095 N/A ARG 22.A N LEU 18.A O no hydrogen 2.889 N/A ALA 23.A N GLY 19.A O no hydrogen 3.014 N/A ILE 24.A N GLU 20.A O no hydrogen 3.036 N/A ALA 25.A N LEU 21.A O no hydrogen 3.039 N/A ALA 26.A N ARG 22.A O no hydrogen 2.810 N/A GLY 27.A N ALA 23.A O no hydrogen 3.150 N/A GLY 27.A N ILE 24.A O no hydrogen 3.151 N/A ILE 28.A N ILE 24.A O no hydrogen 3.337 N/A ILE 28.A N ALA 25.A O no hydrogen 3.268 N/A SER 29.A N ALA 25.A O no hydrogen 2.908 N/A GLU 33.A N PRO 3.A O no hydrogen 2.892 N/A LEU 35.A N ILE 5.A O no hydrogen 2.866 N/A ILE 36.A N LEU 56.A O no hydrogen 2.986 N/A CYS 37.A N GLY 7.A O no hydrogen 2.772 N/A CYS 37.A SG GLY 59.A O no hydrogen 3.591 N/A VAL 38.A N GLY 58.A O no hydrogen 3.119 N/A LEU 42.A N PRO 39.A O no hydrogen 2.870 N/A LEU 43.A N ALA 40.A O no hydrogen 3.451 N/A ARG 45.A NH2 THR 41.A O no hydrogen 2.978 N/A ALA 46.A N LEU 42.A O no hydrogen 2.898 N/A PHE 47.A N LEU 43.A O no hydrogen 2.910 N/A ASP 48.A N SER 44.A O no hydrogen 2.965 N/A ILE 49.A N ARG 45.A O no hydrogen 3.313 N/A ILE 49.A N ALA 46.A O no hydrogen 3.302 N/A LEU 50.A N ALA 46.A O no hydrogen 2.937 N/A GLY 51.A N PHE 47.A O no hydrogen 2.649 N/A GLU 53.A N LEU 50.A O no hydrogen 2.678 N/A LEU 56.A N ALA 34.A O no hydrogen 2.899 N/A GLY 58.A N ILE 36.A O no hydrogen 2.948 N/A GLY 59.A N HIS 86.A O no hydrogen 2.919 N/A GLN 60.A NE2 LYS 10.A O no hydrogen 2.964 N/A GLN 60.A NE2 CYS 37.A O no hydrogen 3.023 N/A CYS 62.A SG HIS 63.A O no hydrogen 3.724 N/A CYS 62.A SG LYS 108.A O no hydrogen 3.677 N/A HIS 63.A N ILE 74.A O no hydrogen 2.924 N/A ASP 65.A N HIS 63.A ND1 no hydrogen 2.984 N/A ASP 66.A N ASP 65.A OD1.A no hydrogen 2.740 N/A TYR 70.A N GLY 68.A O no hydrogen 2.880 N/A TYR 70.A OH ASP 65.A OD2.A no hydrogen 2.779 N/A TYR 70.A OH ASP 65.A OD2.B no hydrogen 2.532 N/A ASP 73.A N TYR 70.A O no hydrogen 3.008 N/A SER 75.A OG ASP 66.A O no hydrogen 3.452 N/A MET 78.A N SER 75.A OG no hydrogen 2.990 N/A LEU 79.A N SER 75.A O no hydrogen 3.130 N/A LYS 80.A N ALA 76.A O no hydrogen 2.968 N/A LYS 80.A NZ.B ALA 115.A O no hydrogen 2.578 N/A LYS 80.A NZ.C GLY 116.A O no hydrogen 3.018 N/A GLU 81.A N PHE 77.A O no hydrogen 2.960 N/A ALA 82.A N MET 78.A O no hydrogen 3.063 N/A GLY 83.A N LEU 79.A O no hydrogen 3.114 N/A GLY 83.A N LYS 80.A O no hydrogen 3.040 N/A ALA 84.A N LEU 79.A O no hydrogen 2.973 N/A SER 85.A N LEU 57.A O no hydrogen 2.880 N/A SER 85.A OG LEU 57.A O no hydrogen 3.374 N/A SER 85.A OG HIS 86.A ND1 no hydrogen 2.758 N/A HIS 86.A ND1 SER 85.A OG no hydrogen 2.758 N/A VAL 87.A N VAL 118.A O no hydrogen 2.972 N/A ILE 88.A N GLY 59.A O no hydrogen 3.014 N/A ILE 89.A N LEU 120.A O no hydrogen 2.879 N/A SER 92.A N GLU 161.A OE2 no hydrogen 2.873 N/A SER 92.A OG GLU 161.A OE1 no hydrogen 2.658 N/A SER 92.A OG GLU 161.A OE2 no hydrogen 3.516 N/A GLU 93.A N HIS 91.A ND1 no hydrogen 3.023 N/A ARG 94.A N HIS 91.A O no hydrogen 2.863 N/A ARG 94.A NE GLU 100.A OE2 no hydrogen 2.808 N/A ARG 95.A N HIS 91.A O no hydrogen 2.990 N/A ARG 95.A NE GLY 90.A O no hydrogen 2.862 N/A ARG 95.A NE CYS 122.A O no hydrogen 3.357 N/A ARG 95.A NH1 ASP 102.A OD1 no hydrogen 2.787 N/A ARG 95.A NH2 CYS 122.A O no hydrogen 2.841 N/A ARG 95.A NH2 SER 146.A OG no hydrogen 2.932 N/A THR 96.A N SER 92.A O no hydrogen 3.316 N/A THR 96.A OG1 SER 92.A O no hydrogen 2.666 N/A THR 96.A OG1 GLU 93.A O no hydrogen 3.407 N/A TYR 98.A N ARG 94.A O no hydrogen 2.927 N/A GLN 99.A N THR 96.A O no hydrogen 3.385 N/A GLN 99.A NE2 THR 96.A O no hydrogen 2.951 N/A GLU 100.A N ARG 95.A O no hydrogen 3.184 N/A ILE 104.A N SER 101.A OG no hydrogen 3.037 N/A VAL 105.A N SER 101.A O no hydrogen 2.877 N/A ARG 106.A N ASP 102.A O no hydrogen 2.836 N/A ARG 106.A NE GLY 145.A O no hydrogen 2.972 N/A ARG 106.A NH2 GLU 144.A O no hydrogen 2.822 N/A ALA 107.A N ALA 103.A O no hydrogen 3.045 N/A LYS 108.A N ILE 104.A O no hydrogen 3.078 N/A LYS 108.A NZ ASN 61.A OD1 no hydrogen 2.985 N/A LYS 108.A NZ CYS 62.A O no hydrogen 2.831 N/A VAL 109.A N VAL 105.A O no hydrogen 2.932 N/A GLN 110.A N ARG 106.A O no hydrogen 2.949 N/A ALA 111.A N ALA 107.A O no hydrogen 3.045 N/A ALA 112.A N LYS 108.A O no hydrogen 2.975 N/A TRP 113.A N VAL 109.A O no hydrogen 2.918 N/A TRP 113.A NE1 ASN 155.A O no hydrogen 2.954 N/A ARG 114.A N GLN 110.A O no hydrogen 3.121 N/A ARG 114.A NE ASP 66.A OD1 no hydrogen 2.847 N/A ARG 114.A NH2 PHE 64.A O no hydrogen 2.931 N/A ARG 114.A NH2 ASP 66.A OD1 no hydrogen 2.774 N/A ALA 115.A N ALA 111.A O no hydrogen 3.173 N/A GLY 116.A N TRP 113.A O no hydrogen 2.966 N/A LEU 117.A N ALA 112.A O no hydrogen 2.926 N/A VAL 118.A N SER 85.A O no hydrogen 2.925 N/A ALA 119.A N ASN 155.A O no hydrogen 3.021 N/A LEU 120.A N VAL 87.A O no hydrogen 2.785 N/A ILE 121.A N ILE 157.A O no hydrogen 2.833 N/A CYS 122.A N ILE 89.A O no hydrogen 2.988 N/A VAL 123.A N ALA 159.A O no hydrogen 2.960 N/A GLY 124.A N GLN 142.A OE1 no hydrogen 2.772 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.749 N/A THR 126.A N GLU 129.A OE1 no hydrogen 2.851 N/A GLU 129.A N THR 126.A OG1 no hydrogen 3.040 N/A ARG 130.A N THR 126.A O no hydrogen 2.963 N/A ARG 130.A NE GLU 125.A OE2 no hydrogen 2.768 N/A ARG 130.A NH2 GLU 125.A OE2 no hydrogen 2.779 N/A ARG 130.A NH2 TYR 160.A OH no hydrogen 3.268 N/A LYS 131.A N LEU 127.A O no hydrogen 2.773 N/A SER 132.A N GLU 128.A O no hydrogen 3.012 N/A SER 132.A OG GLU 128.A O no hydrogen 3.299 N/A ASN 133.A N ARG 130.A O no hydrogen 2.911 N/A LYS 134.A N GLU 129.A O no hydrogen 2.917 N/A VAL 138.A N LYS 134.A O no hydrogen 2.919 N/A LEU 139.A N VAL 135.A O no hydrogen 2.931 N/A THR 140.A N LEU 136.A O no hydrogen 2.883 N/A THR 140.A OG1 LEU 136.A O no hydrogen 2.843 N/A ARG 141.A N ASP 137.A O no hydrogen 3.180 N/A ARG 141.A NH1 ASP 102.A OD2 no hydrogen 3.064 N/A GLN 142.A N VAL 138.A O no hydrogen 2.823 N/A GLN 142.A NE2 GLY 124.A O no hydrogen 3.579 N/A LEU 143.A N LEU 139.A O no hydrogen 2.792 N/A GLU 144.A N THR 140.A O no hydrogen 3.218 N/A GLY 145.A N ARG 141.A O no hydrogen 2.909 N/A SER 146.A N GLN 142.A O no hydrogen 2.888 N/A SER 146.A OG ASP 102.A OD1 no hydrogen 3.072 N/A SER 146.A OG GLN 142.A O no hydrogen 3.009 N/A THR 152.A N ASN 155.A OD1 no hydrogen 2.871 N/A THR 152.A OG1 GLU 154.A OE1 no hydrogen 3.539 N/A GLU 154.A N THR 152.A OG1 no hydrogen 3.149 N/A ASN 155.A N THR 152.A O no hydrogen 3.310 N/A ASN 155.A N THR 152.A OG1 no hydrogen 3.065 N/A ASN 155.A ND2 GLY 150.A O no hydrogen 3.231 N/A ILE 156.A N THR 152.A O no hydrogen 3.295 N/A ILE 157.A N ALA 119.A O no hydrogen 2.912 N/A ILE 158.A N ARG 192.A O no hydrogen 2.989 N/A ALA 159.A N ILE 121.A O no hydrogen 2.837 N/A TYR 160.A N LEU 194.A O no hydrogen 2.935 N/A TYR 160.A OH GLU 125.A OE1 no hydrogen 2.724 N/A TYR 160.A OH GLU 125.A OE2 no hydrogen 3.152 N/A GLU 161.A N VAL 123.A O no hydrogen 2.773 N/A TRP 164.A N GLU 125.A O no hydrogen 3.156 N/A SER 166.A OG GLU 206.A OE2 no hydrogen 3.454 N/A ASP 168.A N THR 165.A OG1 no hydrogen 3.091 N/A VAL 169.A N THR 165.A O no hydrogen 2.967 N/A ALA 170.A N SER 166.A O no hydrogen 2.849 N/A GLU 171.A N ALA 167.A O no hydrogen 3.101 N/A VAL 172.A N ASP 168.A O no hydrogen 3.059 N/A HIS 173.A N VAL 169.A O no hydrogen 2.858 N/A HIS 173.A ND1 HIS 212.A O no hydrogen 2.967 N/A ALA 174.A N ALA 170.A O no hydrogen 2.945 N/A PHE 175.A N GLU 171.A O no hydrogen 3.031 N/A ILE 176.A N VAL 172.A O no hydrogen 2.868 N/A HIS 177.A N HIS 173.A O no hydrogen 2.852 N/A HIS 178.A N ALA 174.A O no hydrogen 2.984 N/A LYS 179.A N PHE 175.A O no hydrogen 2.951 N/A MET 180.A N ILE 176.A O no hydrogen 2.937 N/A HIS 181.A N HIS 177.A O no hydrogen 3.062 N/A SER 182.A N HIS 178.A O no hydrogen 2.845 N/A SER 182.A OG HIS 178.A O no hydrogen 2.947 N/A ARG 183.A N LYS 179.A O no hydrogen 3.050 N/A ARG 183.A NH1 GLU 144.A O no hydrogen 3.100 N/A ARG 183.A NH1 LEU 147.A O no hydrogen 3.152 N/A ARG 183.A NH2 LEU 147.A O no hydrogen 3.020 N/A ARG 183.A NH2 ASP 149.A OD1 no hydrogen 2.886 N/A PHE 184.A N MET 180.A O no hydrogen 2.908 N/A GLY 185.A N HIS 181.A O no hydrogen 2.745 N/A ALA 189.A N GLY 185.A O no hydrogen 3.223 N/A LYS 190.A N GLU 187.A O no hydrogen 3.052 N/A ILE 191.A N GLY 188.A O no hydrogen 3.199 N/A ARG 192.A NH1.B ARG 2.A O no hydrogen 2.794 N/A ARG 192.A NH1.B GLU 33.A OE1 no hydrogen 3.111 N/A ARG 192.A NH2.A ALA 153.A O no hydrogen 3.150 N/A ARG 192.A NH2.B GLU 33.A OE1 no hydrogen 3.182 N/A LEU 193.A N ASN 214.A OD1 no hydrogen 2.961 N/A LEU 194.A N ILE 158.A O no hydrogen 2.732 N/A TYR 195.A N GLY 215.A O no hydrogen 2.951 N/A GLY 196.A N TYR 160.A O no hydrogen 2.741 N/A LYS 200.A N ASN 203.A OD1 no hydrogen 2.784 N/A ASN 203.A N LYS 200.A O no hydrogen 3.136 N/A ASN 203.A ND2 SER 198.A O no hydrogen 2.889 N/A LEU 207.A N ASN 203.A O no hydrogen 3.116 N/A LEU 208.A N ALA 204.A O no hydrogen 2.832 N/A SER 209.A N PHE 205.A O no hydrogen 3.049 N/A SER 209.A OG.A PHE 205.A O no hydrogen 2.646 N/A SER 209.A OG.A GLU 206.A O no hydrogen 3.367 N/A SER 209.A OG.B PHE 205.A O no hydrogen 2.612 N/A THR 210.A N LEU 207.A O no hydrogen 3.092 N/A THR 210.A OG1 GLU 206.A O no hydrogen 2.812 N/A THR 210.A OG1 LEU 207.A O no hydrogen 3.184 N/A VAL 213.A N THR 210.A O no hydrogen 3.029 N/A ASN 214.A N LEU 193.A O no hydrogen 2.778 N/A ALA 216.A N PHE 4.A O no hydrogen 3.166 N/A LEU 217.A N TYR 195.A O no hydrogen 2.939 N/A ILE 218.A N ALA 6.A O no hydrogen 2.804 N/A SER 222.A N GLY 219.A O no hydrogen 2.919 N/A SER 222.A OG ILE 218.A O no hydrogen 3.336 N/A SER 222.A OG GLY 219.A O no hydrogen 2.798 N/A LEU 223.A N GLY 220.A O no hydrogen 3.226 N/A ALA 225.A N GLU 20.A OE2 no hydrogen 2.742 N/A ASP 227.A N LYS 224.A O no hydrogen 3.041 N/A PHE 228.A N LYS 224.A O no hydrogen 3.021 N/A LEU 229.A N ALA 225.A O no hydrogen 2.732 N/A THR 230.A N ILE 226.A O no hydrogen 3.208 N/A THR 230.A OG1 ILE 226.A O no hydrogen 2.507 N/A ILE 231.A N ASP 227.A O no hydrogen 3.215 N/A CYS 232.A N PHE 228.A O no hydrogen 3.074 N/A CYS 232.A SG PHE 228.A O no hydrogen 3.546 N/A ASP 233.A N LEU 229.A O no hydrogen 2.986 N/A VAL 234.A N ILE 231.A O no hydrogen 3.173 N/A TYR 235.A N CYS 232.A O no hydrogen 3.152 N/A ARG 236.A N ASP 233.A O no hydrogen 3.068 N/A LYS 237.A N VAL 234.A O no hydrogen 3.038 N/A