Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6upq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N ARG 61.A O no hydrogen 2.929 N/A THR 4.A N HIS 112.A ND1 no hydrogen 3.010 N/A LEU 5.A N THR 63.A O no hydrogen 2.767 N/A MET 6.A N CYS 113.A O no hydrogen 2.767 N/A VAL 7.A N VAL 65.A O no hydrogen 2.902 N/A VAL 8.A N PHE 115.A O no hydrogen 3.037 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.233 N/A LYS 15.A NZ GLU 10.A O no hydrogen 2.913 N/A LEU 18.A N GLY 14.A O no hydrogen 2.938 N/A ILE 19.A N LYS 15.A O no hydrogen 2.934 N/A ASN 20.A N SER 16.A O no hydrogen 3.040 N/A SER 21.A N THR 17.A O no hydrogen 3.004 N/A SER 21.A OG THR 17.A O no hydrogen 2.873 N/A SER 21.A OG SER 207.A O no hydrogen 3.161 N/A LEU 22.A N LEU 18.A O no hydrogen 2.997 N/A LEU 22.A N ILE 19.A O no hydrogen 3.202 N/A THR 25.A N ASN 20.A O no hydrogen 3.248 N/A THR 25.A OG1 ASN 20.A OD1 no hydrogen 2.922 N/A LEU 27.A N ASN 20.A OD1 no hydrogen 3.188 N/A TYR 28.A OH ASP 66.A OD1 no hydrogen 3.333 N/A TYR 28.A OH ASP 66.A OD2 no hydrogen 2.746 N/A ARG 31.A N TYR 28.A O no hydrogen 3.360 N/A LYS 39.A N GLY 35.A O no hydrogen 3.083 N/A LYS 39.A N ALA 36.A O no hydrogen 2.999 N/A ILE 40.A N ALA 37.A O no hydrogen 3.514 N/A ARG 42.A N LYS 39.A O no hydrogen 3.429 N/A ARG 42.A NH1 ASP 72.A OD2 no hydrogen 2.691 N/A GLN 45.A N PRO 68.A O no hydrogen 2.993 N/A GLU 47.A N ASP 66.A O no hydrogen 2.968 N/A SER 49.A N VAL 64.A O no hydrogen 2.913 N/A THR 50.A OG1 THR 63.A OG1 no hydrogen 2.941 N/A VAL 51.A N LEU 62.A O no hydrogen 2.838 N/A ILE 53.A N LEU 60.A O no hydrogen 2.860 N/A VAL 58.A N GLU 55.A O no hydrogen 3.166 N/A LEU 60.A N ILE 53.A O no hydrogen 2.722 N/A ARG 61.A N PHE 1.A O no hydrogen 3.108 N/A LEU 62.A N VAL 51.A O no hydrogen 2.889 N/A THR 63.A N PHE 3.A O no hydrogen 2.845 N/A THR 63.A OG1 THR 50.A OG1 no hydrogen 2.941 N/A VAL 64.A N SER 49.A O no hydrogen 2.733 N/A VAL 65.A N LEU 5.A O no hydrogen 2.779 N/A ASP 66.A N GLU 47.A O no hydrogen 2.679 N/A THR 67.A OG1 VAL 7.A O no hydrogen 2.928 N/A TYR 70.A N THR 67.A O no hydrogen 3.226 N/A TYR 70.A OH TYR 116.A OH no hydrogen 2.694 N/A ASP 72.A N GLY 69.A O no hydrogen 3.031 N/A ILE 74.A N ILE 40.A O no hydrogen 2.972 N/A CYS 76.A SG ALA 73.A O no hydrogen 3.123 N/A ILE 84.A N PHE 80.A O no hydrogen 2.820 N/A SER 85.A N LYS 81.A O no hydrogen 2.801 N/A SER 85.A OG LYS 81.A O no hydrogen 3.030 N/A TYR 86.A N THR 82.A O no hydrogen 3.026 N/A ILE 87.A N ILE 83.A O no hydrogen 3.060 N/A ASP 88.A N ILE 84.A O no hydrogen 2.989 N/A GLU 89.A N SER 85.A O no hydrogen 2.907 N/A GLN 90.A N TYR 86.A O no hydrogen 3.192 N/A GLN 90.A NE2 TYR 86.A O no hydrogen 3.136 N/A PHE 91.A N ILE 87.A O no hydrogen 3.285 N/A GLU 92.A N ASP 88.A O no hydrogen 2.834 N/A ARG 93.A N GLU 89.A O no hydrogen 2.842 N/A TYR 94.A N GLN 90.A O no hydrogen 3.038 N/A LEU 95.A N PHE 91.A O no hydrogen 2.992 N/A HIS 96.A N GLU 92.A O no hydrogen 3.074 N/A ASP 97.A N ARG 93.A O no hydrogen 2.913 N/A GLU 98.A N TYR 94.A O no hydrogen 2.792 N/A SER 99.A N LEU 95.A O no hydrogen 3.103 N/A SER 99.A OG LEU 95.A O no hydrogen 2.742 N/A GLY 100.A N ASP 97.A O no hydrogen 3.352 N/A ARG 103.A NE GLU 98.A O no hydrogen 3.185 N/A ARG 103.A NH2 GLU 98.A O no hydrogen 2.882 N/A HIS 105.A N ASN 102.A O no hydrogen 3.419 N/A ARG 110.A N ASP 108.A OD1 no hydrogen 2.999 N/A ARG 110.A NE ASP 108.A OD1 no hydrogen 2.771 N/A ARG 110.A NE ASP 108.A OD2 no hydrogen 3.530 N/A ARG 110.A NH2 ASP 108.A OD2 no hydrogen 3.141 N/A HIS 112.A N THR 4.A O no hydrogen 2.944 N/A HIS 112.A NE2 ASP 108.A OD2 no hydrogen 3.239 N/A CYS 113.A SG ASN 141.A O no hydrogen 3.772 N/A CYS 114.A N ASN 141.A O no hydrogen 2.830 N/A CYS 114.A SG MET 6.A O no hydrogen 4.004 N/A PHE 115.A N MET 6.A O no hydrogen 2.839 N/A TYR 116.A N VAL 143.A O no hydrogen 2.984 N/A TYR 116.A OH TYR 70.A OH no hydrogen 2.694 N/A TYR 116.A OH ASP 129.A OD1 no hydrogen 2.496 N/A PHE 117.A N VAL 8.A O no hydrogen 2.945 N/A ILE 118.A N VAL 145.A O no hydrogen 2.659 N/A PHE 121.A N SER 119.A OG no hydrogen 3.049 N/A LEU 125.A N GLU 167.A OE2 no hydrogen 2.847 N/A LYS 126.A N ASP 129.A OD2 no hydrogen 2.873 N/A LYS 126.A NZ GLU 10.A OE2 no hydrogen 2.806 N/A VAL 130.A N LYS 126.A O no hydrogen 3.058 N/A ALA 131.A N PRO 127.A O no hydrogen 2.998 N/A PHE 132.A N LEU 128.A O no hydrogen 2.985 N/A MET 133.A N ASP 129.A O no hydrogen 3.099 N/A LYS 134.A N VAL 130.A O no hydrogen 2.918 N/A LYS 134.A NZ HIS 171.A O no hydrogen 3.556 N/A ALA 135.A N ALA 131.A O no hydrogen 2.944 N/A ALA 135.A N PHE 132.A O no hydrogen 2.987 N/A ILE 136.A N PHE 132.A O no hydrogen 3.109 N/A ILE 136.A N MET 133.A O no hydrogen 3.239 N/A LYS 139.A N ILE 136.A O no hydrogen 2.758 N/A LYS 139.A NZ ASP 88.A OD1 no hydrogen 2.808 N/A LYS 139.A NZ ASP 88.A OD2 no hydrogen 2.979 N/A VAL 140.A N ILE 136.A O no hydrogen 3.051 N/A ASN 141.A ND2 HIS 112.A O no hydrogen 2.807 N/A ASN 141.A ND2 LEU 252.A O no hydrogen 2.960 N/A VAL 143.A N CYS 114.A O no hydrogen 2.822 N/A VAL 145.A N TYR 116.A O no hydrogen 2.793 N/A ILE 146.A N PHE 202.A O no hydrogen 2.789 N/A ALA 147.A N ILE 118.A O no hydrogen 3.066 N/A LYS 148.A NZ GLY 12.A O no hydrogen 2.917 N/A ALA 149.A N VAL 204.A O no hydrogen 2.992 N/A THR 151.A N LYS 148.A O no hydrogen 3.075 N/A THR 151.A OG1 LYS 148.A O no hydrogen 2.903 N/A LEU 152.A N ALA 149.A O no hydrogen 3.183 N/A THR 153.A N GLU 156.A OE1 no hydrogen 2.981 N/A GLU 156.A N THR 153.A OG1 no hydrogen 3.195 N/A ARG 157.A N THR 153.A O no hydrogen 2.785 N/A GLU 158.A N LEU 154.A O no hydrogen 2.836 N/A ARG 159.A N LYS 155.A O no hydrogen 2.961 N/A LEU 160.A N GLU 156.A O no hydrogen 2.929 N/A LYS 161.A N ARG 157.A O no hydrogen 2.977 N/A LYS 161.A NZ SER 199.A O no hydrogen 2.975 N/A LYS 161.A NZ PRO 201.A O no hydrogen 3.492 N/A LYS 161.A NZ ASP 237.A OD2 no hydrogen 2.679 N/A LYS 162.A N GLU 158.A O no hydrogen 3.070 N/A ARG 163.A N ARG 159.A O no hydrogen 3.094 N/A ARG 163.A NE GLU 167.A OE1 no hydrogen 3.133 N/A ILE 164.A N LEU 160.A O no hydrogen 2.891 N/A LEU 165.A N LYS 161.A O no hydrogen 3.029 N/A ASP 166.A N LYS 162.A O no hydrogen 3.075 N/A GLU 167.A N ARG 163.A O no hydrogen 2.898 N/A ILE 168.A N ILE 164.A O no hydrogen 2.925 N/A GLU 169.A N LEU 165.A O no hydrogen 3.180 N/A GLU 170.A N ASP 166.A O no hydrogen 2.796 N/A HIS 171.A N GLU 167.A O no hydrogen 2.863 N/A ASN 172.A N GLU 169.A O no hydrogen 3.180 N/A ILE 173.A N ILE 168.A O no hydrogen 2.901 N/A LYS 174.A N HIS 137.A ND1 no hydrogen 3.087 N/A LYS 174.A NZ ASN 138.A OD1 no hydrogen 3.070 N/A TYR 176.A N ILE 142.A O no hydrogen 2.850 N/A TYR 176.A OH ASP 251.A OD2 no hydrogen 2.511 N/A PHE 189.A N ASP 186.A O no hydrogen 3.262 N/A LYS 190.A N ASP 186.A O no hydrogen 3.234 N/A GLU 191.A N GLU 187.A O no hydrogen 2.955 N/A THR 193.A N PHE 189.A O no hydrogen 2.957 N/A THR 193.A OG1 PHE 189.A O no hydrogen 3.317 N/A ARG 194.A N LYS 190.A O no hydrogen 3.034 N/A ARG 194.A NE GLU 191.A OE1 no hydrogen 2.946 N/A ARG 194.A NE GLU 191.A OE2 no hydrogen 3.202 N/A ARG 194.A NH1 GLU 191.A OE2 no hydrogen 2.759 N/A LEU 195.A N GLU 191.A O no hydrogen 2.873 N/A LEU 196.A N GLN 192.A O no hydrogen 3.066 N/A LYS 197.A N THR 193.A O no hydrogen 3.046 N/A ALA 198.A N ARG 194.A O no hydrogen 2.995 N/A SER 199.A N LEU 196.A O no hydrogen 3.181 N/A SER 199.A OG LEU 195.A O no hydrogen 3.542 N/A ILE 200.A N LYS 197.A O no hydrogen 3.455 N/A SER 203.A N ASP 237.A OD2 no hydrogen 2.999 N/A SER 203.A OG ASP 237.A OD2 no hydrogen 3.220 N/A VAL 204.A N ILE 146.A O no hydrogen 3.001 N/A VAL 205.A N ASN 236.A OD1 no hydrogen 2.840 N/A SER 207.A N SER 21.A OG no hydrogen 3.127 N/A SER 207.A OG GLN 209.A O no hydrogen 3.562 N/A SER 207.A OG GLY 220.A O no hydrogen 2.547 N/A GLN 209.A N SER 207.A OG no hydrogen 3.060 N/A ILE 211.A N VAL 218.A O no hydrogen 2.897 N/A ALA 213.A N LYS 216.A O no hydrogen 3.200 N/A GLY 215.A N GLU 212.A OE2 no hydrogen 3.209 N/A VAL 218.A N ILE 211.A O no hydrogen 3.112 N/A GLY 220.A N GLN 209.A O no hydrogen 3.178 N/A ARG 221.A N VAL 228.A O no hydrogen 2.885 N/A ARG 221.A NE ASP 150.A OD2 no hydrogen 2.986 N/A ARG 221.A NE TYR 223.A OH no hydrogen 3.211 N/A ARG 221.A NH2 TYR 223.A OH no hydrogen 2.995 N/A TYR 223.A N GLY 226.A O no hydrogen 2.870 N/A TYR 223.A OH ASP 150.A OD2 no hydrogen 2.746 N/A GLY 226.A N TYR 223.A O no hydrogen 3.261 N/A VAL 228.A N ARG 221.A O no hydrogen 2.960 N/A GLU 229.A N HIS 235.A ND1 no hydrogen 3.017 N/A VAL 230.A N ARG 219.A O no hydrogen 2.899 N/A ASN 232.A N GLU 229.A O no hydrogen 3.290 N/A ASN 232.A ND2 GLU 229.A OE1 no hydrogen 3.333 N/A GLU 234.A N ASN 232.A OD1 no hydrogen 2.882 N/A HIS 235.A N ASN 232.A O no hydrogen 2.801 N/A ASN 236.A N ASN 232.A O no hydrogen 3.242 N/A ASN 236.A ND2 VAL 230.A O no hydrogen 2.947 N/A ASP 237.A N SER 203.A O no hydrogen 2.806 N/A PHE 238.A N ASN 236.A OD1 no hydrogen 2.989 N/A LEU 241.A N ASP 237.A O no hydrogen 2.957 N/A ARG 242.A N PHE 238.A O no hydrogen 2.874 N/A ARG 242.A NE LEU 22.A O no hydrogen 3.060 N/A ARG 242.A NH2 GLU 55.A OE1 no hydrogen 2.680 N/A THR 243.A N LEU 239.A O no hydrogen 2.800 N/A THR 243.A OG1 LEU 239.A O no hydrogen 2.801 N/A MET 244.A N LYS 240.A O no hydrogen 2.754 N/A LEU 245.A N LEU 241.A O no hydrogen 2.975 N/A ILE 246.A N ARG 242.A O no hydrogen 3.030 N/A THR 247.A N THR 243.A O no hydrogen 2.824 N/A THR 247.A OG1 THR 243.A O no hydrogen 2.940 N/A HIS 248.A N MET 244.A O no hydrogen 2.921 N/A HIS 248.A ND1 MET 244.A O no hydrogen 3.047 N/A GLN 250.A NE2 GLU 254.A OE2 no hydrogen 3.484 N/A LEU 252.A N HIS 248.A O no hydrogen 2.816 N/A GLN 253.A N MET 249.A O no hydrogen 2.990 N/A GLU 254.A N GLN 250.A O no hydrogen 2.935 N/A VAL 255.A N ASP 251.A O no hydrogen 2.882 N/A THR 256.A N LEU 252.A O no hydrogen 3.039 N/A THR 256.A OG1 LEU 252.A O no hydrogen 2.846 N/A GLN 257.A N GLN 253.A O no hydrogen 3.014 N/A ASP 258.A N GLU 254.A O no hydrogen 2.734 N/A LEU 259.A N VAL 255.A O no hydrogen 2.812 N/A HIS 260.A N VAL 255.A O no hydrogen 3.340 N/A HIS 260.A NE2 ASN 141.A OD1 no hydrogen 2.921 N/A TYR 261.A N THR 256.A O no hydrogen 2.763 N/A TYR 261.A OH GLU 98.A OE2 no hydrogen 2.446 N/A ASN 263.A N LEU 259.A O no hydrogen 2.925 N/A PHE 264.A N HIS 260.A O no hydrogen 2.910 N/A ARG 265.A N TYR 261.A O no hydrogen 2.783 N/A ARG 265.A NH1 GLU 262.A OE1 no hydrogen 3.441 N/A SER 266.A N GLU 262.A O no hydrogen 2.965 N/A SER 266.A OG GLU 262.A O no hydrogen 3.387 N/A SER 266.A OG ASN 263.A O no hydrogen 3.365 N/A GLU 267.A N ASN 263.A O no hydrogen 3.011 N/A ARG 268.A N ARG 265.A O no hydrogen 3.259 N/A LEU 269.A N SER 266.A O no hydrogen 3.353 N/A