Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6upq_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG.A HIS 104.A ND1.A no hydrogen 3.178 N/A CYS 2.A SG.B HIS 104.A ND1.A no hydrogen 4.031 N/A CYS 2.A SG.B ASP 105.A O no hydrogen 2.891 N/A PHE 3.A N LYS 56.A O no hydrogen 3.114 N/A ASN 4.A N HIS 109.A ND1 no hydrogen 2.997 N/A ASN 4.A ND2 ASP 105.A O no hydrogen 2.867 N/A ASN 4.A ND2 ARG 107.A O no hydrogen 2.827 N/A ILE 5.A N THR 58.A O no hydrogen 2.961 N/A LEU 6.A N ALA 110.A O no hydrogen 2.812 N/A CYS 7.A N VAL 60.A O no hydrogen 2.742 N/A VAL 8.A N LEU 112.A O no hydrogen 2.970 N/A GLY 9.A N THR 62.A OG1 no hydrogen 3.293 N/A THR 11.A OG1 ASP 67.A OD2 no hydrogen 2.393 N/A ILE 13.A N GLU 10.A O no hydrogen 3.069 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.116 N/A LYS 15.A NZ GLU 10.A O no hydrogen 3.074 N/A LEU 18.A N GLY 14.A O no hydrogen 2.923 N/A MET 19.A N LYS 15.A O no hydrogen 3.132 N/A ASP 20.A N SER 16.A O no hydrogen 3.031 N/A THR 21.A N THR 17.A O no hydrogen 2.942 N/A THR 21.A OG1 THR 17.A O no hydrogen 2.719 N/A THR 21.A OG1 SER 186.A O no hydrogen 3.365 N/A LEU 22.A N LEU 18.A O no hydrogen 2.753 N/A PHE 23.A N MET 19.A O no hydrogen 3.084 N/A ASN 24.A N THR 21.A O no hydrogen 3.294 N/A THR 25.A N ASP 20.A O no hydrogen 3.128 N/A LYS 26.A N THR 25.A OG1 no hydrogen 2.729 N/A PHE 27.A N ASP 20.A OD1 no hydrogen 2.862 N/A GLU 28.A N TYR 46.A OH no hydrogen 3.215 N/A HIS 34.A ND1 ASP 67.A OD1 no hydrogen 2.830 N/A ASN 35.A N THR 33.A OG1 no hydrogen 3.211 N/A ARG 40.A N VAL 63.A O no hydrogen 3.024 N/A ARG 40.A NE GLU 36.A OE1 no hydrogen 3.057 N/A ARG 40.A NH2 GLU 36.A OE2 no hydrogen 3.012 N/A LYS 42.A N ASP 61.A O no hydrogen 2.960 N/A ARG 44.A N ILE 59.A O no hydrogen 3.018 N/A ARG 44.A NH1 ALA 43.A O no hydrogen 2.857 N/A SER 45.A OG THR 58.A OG1 no hydrogen 2.867 N/A TYR 46.A N LEU 57.A O no hydrogen 2.683 N/A LEU 48.A N LEU 55.A O no hydrogen 2.772 N/A GLU 50.A N VAL 53.A O no hydrogen 3.253 N/A ASN 52.A N SER 51.A OG no hydrogen 2.111 N/A LEU 55.A N LEU 48.A O no hydrogen 2.709 N/A LYS 56.A N PHE 1.A O no hydrogen 2.573 N/A LYS 56.A NZ HIS 104.A NE2.A no hydrogen 3.010 N/A LEU 57.A N TYR 46.A O no hydrogen 2.824 N/A THR 58.A N PHE 3.A O no hydrogen 3.057 N/A THR 58.A OG1 ASN 4.A OD1 no hydrogen 3.276 N/A THR 58.A OG1 SER 45.A OG no hydrogen 2.867 N/A ILE 59.A N ARG 44.A O no hydrogen 2.823 N/A VAL 60.A N ILE 5.A O no hydrogen 2.893 N/A ASP 61.A N LYS 42.A O no hydrogen 2.863 N/A THR 62.A N CYS 7.A O no hydrogen 3.041 N/A THR 62.A OG1 CYS 7.A O no hydrogen 3.541 N/A THR 62.A OG1 GLY 9.A O no hydrogen 3.242 N/A VAL 63.A N ARG 40.A O no hydrogen 2.740 N/A ASP 67.A N GLY 64.A O no hydrogen 3.269 N/A GLN 68.A NE2 GLU 36.A O no hydrogen 2.991 N/A GLN 68.A NE2 GLY 64.A O no hydrogen 2.884 N/A ASP 72.A N ASN 70.A OD1 no hydrogen 2.974 N/A SER 74.A N LYS 71.A O no hydrogen 3.354 N/A SER 74.A OG LYS 71.A O no hydrogen 2.723 N/A LYS 76.A N ASP 73.A O no hydrogen 3.056 N/A VAL 79.A N TYR 75.A O no hydrogen 2.902 N/A GLU 80.A N LYS 76.A O no hydrogen 2.843 N/A TYR 81.A N PRO 77.A O no hydrogen 3.157 N/A ILE 82.A N ILE 78.A O no hydrogen 3.039 N/A ASP 83.A N VAL 79.A O no hydrogen 2.745 N/A ALA 84.A N GLU 80.A O no hydrogen 2.898 N/A GLN 85.A N TYR 81.A O no hydrogen 3.182 N/A GLN 85.A NE2 TYR 81.A O no hydrogen 3.147 N/A PHE 86.A N ILE 82.A O no hydrogen 3.159 N/A GLU 87.A N ASP 83.A O no hydrogen 2.863 N/A ALA 88.A N ALA 84.A O no hydrogen 2.921 N/A TYR 89.A N GLN 85.A O no hydrogen 3.056 N/A LEU 90.A N PHE 86.A O no hydrogen 2.927 N/A GLN 91.A N GLU 87.A O no hydrogen 2.855 N/A GLN 91.A NE2 GLU 87.A OE1 no hydrogen 2.842 N/A GLU 92.A N ALA 88.A O no hydrogen 3.090 N/A GLU 93.A N TYR 89.A O no hydrogen 3.016 N/A LEU 94.A N LEU 90.A O no hydrogen 3.017 N/A LYS 95.A N GLU 92.A O no hydrogen 3.283 N/A LYS 95.A NZ GLU 92.A OE1 no hydrogen 3.237 N/A LYS 95.A NZ GLU 92.A OE2 no hydrogen 2.892 N/A ARG 98.A NH1 GLU 93.A O no hydrogen 2.809 N/A ASN 102.A N SER 99.A O no hydrogen 3.059 N/A TYR 103.A N LEU 100.A O no hydrogen 3.370 N/A THR 106.A OG1 GLN 85.A OE1 no hydrogen 2.579 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.956 N/A ARG 107.A NE ASP 105.A OD1 no hydrogen 2.859 N/A ARG 107.A NE ASP 105.A OD2 no hydrogen 3.396 N/A ARG 107.A NH1 HIS 237.A ND1 no hydrogen 2.915 N/A ARG 107.A NH2 ASP 105.A OD2 no hydrogen 2.990 N/A HIS 109.A N ASN 4.A O no hydrogen 2.855 N/A HIS 109.A NE2 ASP 105.A OD2 no hydrogen 2.850 N/A ALA 110.A N ASN 4.A O no hydrogen 3.357 N/A CYS 111.A N ASN 138.A O no hydrogen 2.766 N/A CYS 111.A SG LEU 6.A O no hydrogen 3.995 N/A LEU 112.A N LEU 6.A O no hydrogen 2.744 N/A TYR 113.A N ILE 140.A O no hydrogen 3.107 N/A TYR 113.A OH ASP 126.A OD1 no hydrogen 2.655 N/A PHE 114.A N VAL 8.A O no hydrogen 2.793 N/A ILE 115.A N ILE 142.A O no hydrogen 2.756 N/A THR 118.A N ALA 116.A O no hydrogen 2.860 N/A HIS 120.A N THR 118.A OG1 no hydrogen 3.069 N/A SER 121.A OG GLU 164.A OE1 no hydrogen 2.803 N/A LYS 123.A N ASP 126.A OD2 no hydrogen 3.315 N/A LYS 123.A NZ GLU 10.A OE1 no hydrogen 3.220 N/A LYS 123.A NZ GLU 10.A OE2 no hydrogen 3.095 N/A LEU 127.A N LYS 123.A O no hydrogen 3.099 N/A VAL 128.A N SER 124.A O no hydrogen 2.999 N/A THR 129.A N LEU 125.A O no hydrogen 3.004 N/A THR 129.A OG1 LEU 125.A O no hydrogen 2.736 N/A MET 130.A N ASP 126.A O no hydrogen 2.990 N/A LYS 131.A N LEU 127.A O no hydrogen 2.964 N/A LYS 132.A N VAL 128.A O no hydrogen 3.174 N/A LEU 133.A N MET 130.A O no hydrogen 3.172 N/A LYS 136.A N LEU 133.A O no hydrogen 2.871 N/A LYS 136.A NZ ASP 83.A OD1 no hydrogen 2.644 N/A LYS 136.A NZ ASP 83.A OD2 no hydrogen 3.005 N/A VAL 137.A N LEU 133.A O no hydrogen 3.167 N/A ASN 138.A ND2 HIS 109.A O no hydrogen 2.917 N/A ASN 138.A ND2 LEU 232.A O no hydrogen 2.958 N/A ILE 140.A N CYS 111.A O no hydrogen 2.695 N/A ILE 142.A N TYR 113.A O no hydrogen 2.956 N/A ILE 143.A N PHE 181.A O no hydrogen 2.803 N/A ALA 144.A N ILE 115.A O no hydrogen 2.877 N/A LYS 145.A NZ GLY 12.A O no hydrogen 2.779 N/A ALA 146.A N VAL 183.A O no hydrogen 3.043 N/A THR 148.A N LYS 145.A O no hydrogen 3.014 N/A THR 148.A OG1 LYS 145.A O no hydrogen 2.676 N/A ILE 149.A N ALA 146.A O no hydrogen 3.132 N/A ALA 150.A N GLU 153.A OE1 no hydrogen 2.947 N/A GLU 153.A N ALA 150.A O no hydrogen 2.904 N/A PHE 157.A N GLU 153.A O no hydrogen 3.032 N/A LYS 158.A N LEU 154.A O no hydrogen 2.846 N/A LYS 158.A NZ HIS 178.A O no hydrogen 2.620 N/A LYS 158.A NZ ASP 216.A OD2 no hydrogen 2.706 N/A SER 159.A N HIS 155.A O no hydrogen 2.991 N/A SER 159.A OG HIS 155.A O no hydrogen 2.968 N/A LYS 160.A N LYS 156.A O no hydrogen 2.847 N/A LYS 160.A NZ GLY 119.A O no hydrogen 3.259 N/A LYS 160.A NZ HIS 120.A O no hydrogen 2.860 N/A ILE 161.A N PHE 157.A O no hydrogen 2.983 N/A MET 162.A N LYS 158.A O no hydrogen 3.025 N/A SER 163.A N SER 159.A O no hydrogen 2.961 N/A GLU 164.A N LYS 160.A O no hydrogen 3.104 N/A LEU 165.A N ILE 161.A O no hydrogen 2.998 N/A VAL 166.A N MET 162.A O no hydrogen 2.783 N/A SER 167.A N SER 163.A O no hydrogen 2.879 N/A SER 167.A OG SER 163.A O no hydrogen 2.992 N/A SER 167.A OG GLU 164.A O no hydrogen 3.481 N/A ASN 168.A N GLU 164.A O no hydrogen 3.073 N/A ASN 168.A ND2 GLU 164.A O no hydrogen 2.899 N/A GLY 169.A N VAL 166.A O no hydrogen 3.057 N/A VAL 170.A N LEU 165.A O no hydrogen 2.894 N/A GLN 171.A N ASP 134.A OD2 no hydrogen 2.930 N/A GLN 171.A NE2 GLY 169.A O no hydrogen 3.338 N/A TYR 173.A N ILE 139.A O no hydrogen 2.968 N/A TYR 173.A OH ASP 231.A OD2 no hydrogen 2.491 N/A GLN 174.A NE2 ILE 172.A O no hydrogen 3.086 N/A ALA 182.A N ASP 216.A OD2 no hydrogen 2.716 N/A VAL 183.A N ILE 143.A O no hydrogen 3.126 N/A SER 186.A N THR 21.A OG1 no hydrogen 3.021 N/A SER 186.A OG GLU 188.A O no hydrogen 3.285 N/A SER 186.A OG ALA 199.A O no hydrogen 2.585 N/A GLU 188.A N SER 186.A OG no hydrogen 3.082 N/A VAL 190.A N ALA 197.A O no hydrogen 2.852 N/A ILE 192.A N LYS 195.A O no hydrogen 2.768 N/A LYS 195.A N ILE 192.A O no hydrogen 3.118 N/A ALA 197.A N VAL 190.A O no hydrogen 2.951 N/A LYS 198.A NZ GLU 189.A OE2 no hydrogen 3.346 N/A ALA 199.A N GLU 188.A O no hydrogen 2.966 N/A ARG 200.A N VAL 207.A O no hydrogen 2.895 N/A ARG 200.A NE ASP 147.A OD2 no hydrogen 2.921 N/A ARG 200.A NE TYR 202.A OH no hydrogen 3.317 N/A ARG 200.A NH2 TYR 202.A OH no hydrogen 2.907 N/A GLN 201.A NE2 TYR 202.A O no hydrogen 2.842 N/A TYR 202.A N GLY 205.A O no hydrogen 2.803 N/A TYR 202.A OH ASP 147.A OD2 no hydrogen 2.649 N/A GLY 205.A N TYR 202.A O no hydrogen 3.293 N/A VAL 207.A N ARG 200.A O no hydrogen 2.939 N/A GLN 208.A N HIS 214.A ND1 no hydrogen 2.988 N/A VAL 209.A N LYS 198.A O no hydrogen 3.100 N/A ASN 211.A N GLN 208.A O no hydrogen 3.154 N/A ASN 213.A N ASN 211.A OD1 no hydrogen 2.868 N/A HIS 214.A N ASN 211.A O no hydrogen 2.807 N/A CYS 215.A N ASN 211.A O no hydrogen 3.237 N/A CYS 215.A SG VAL 209.A O no hydrogen 3.232 N/A ASP 216.A N ALA 182.A O no hydrogen 2.662 N/A LEU 220.A N ASP 216.A O no hydrogen 2.946 N/A ARG 221.A N PHE 217.A O no hydrogen 2.858 N/A ARG 221.A NH1 GLU 210.A OE2 no hydrogen 2.860 N/A ARG 221.A NH2 GLU 210.A OE2 no hydrogen 3.406 N/A GLU 222.A N VAL 218.A O no hydrogen 2.882 N/A MET 223.A N LYS 219.A O no hydrogen 2.868 N/A LEU 224.A N LEU 220.A O no hydrogen 2.827 N/A ILE 225.A N ARG 221.A O no hydrogen 3.089 N/A ARG 226.A N ARG 221.A O no hydrogen 3.251 N/A ASN 228.A N MET 223.A O no hydrogen 3.167 N/A ASN 228.A ND2 MET 223.A O no hydrogen 2.944 N/A LEU 232.A N ASN 228.A O no hydrogen 2.967 N/A ARG 233.A N MET 229.A O no hydrogen 3.163 N/A GLU 234.A N GLU 230.A O no hydrogen 2.943 N/A GLN 235.A N ASP 231.A O no hydrogen 2.832 N/A THR 236.A N LEU 232.A O no hydrogen 3.072 N/A THR 236.A OG1 ILE 108.A O no hydrogen 3.550 N/A THR 236.A OG1 LEU 232.A O no hydrogen 2.677 N/A HIS 237.A N ARG 233.A O no hydrogen 3.029 N/A THR 238.A N GLU 234.A O no hydrogen 2.754 N/A THR 238.A OG1 GLU 234.A O no hydrogen 2.785 N/A ARG 239.A N GLN 235.A O no hydrogen 2.986 N/A HIS 240.A N GLN 235.A O no hydrogen 3.326 N/A HIS 240.A NE2 ASN 138.A OD1 no hydrogen 2.845 N/A TYR 241.A N THR 236.A O no hydrogen 2.730 N/A TYR 241.A OH GLU 93.A OE1 no hydrogen 2.396 N/A LEU 243.A N ARG 239.A O no hydrogen 3.014 N/A TYR 244.A N HIS 240.A O no hydrogen 3.260 N/A TYR 244.A OH GLU 87.A OE2 no hydrogen 2.357 N/A ARG 245.A N TYR 241.A O no hydrogen 2.804 N/A ARG 245.A NH1 GLU 242.A OE1 no hydrogen 3.298 N/A ARG 246.A N GLU 242.A O no hydrogen 2.935 N/A CYS 247.A N TYR 244.A O no hydrogen 2.988 N/A CYS 247.A SG LEU 243.A O no hydrogen 3.633 N/A CYS 247.A SG TYR 244.A O no hydrogen 3.832 N/A