Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xmm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.176 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.989 N/A LEU 5.A N CYS 101.A O no hydrogen 3.241 N/A ARG 6.A N TYR 27.A O no hydrogen 2.818 N/A ARG 6.A NH1 TYR 113.A OH no hydrogen 3.202 N/A TYR 7.A N TYR 99.A O no hydrogen 2.937 N/A PHE 8.A N VAL 25.A O no hydrogen 2.808 N/A TYR 9.A N ARG 97.A O no hydrogen 2.720 N/A THR 10.A N ILE 23.A O no hydrogen 2.866 N/A ALA 11.A N ILE 95.A O no hydrogen 2.916 N/A VAL 12.A N ARG 21.A O no hydrogen 2.928 N/A SER 13.A N HIS 93.A O no hydrogen 2.954 N/A SER 13.A OG HIS 93.A O no hydrogen 3.053 N/A LEU 17.A N ARG 14.A O no hydrogen 3.400 N/A ARG 21.A N VAL 12.A O no hydrogen 2.918 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 2.792 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 3.508 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.981 N/A PHE 22.A N SER 38.A OG no hydrogen 2.752 N/A ILE 23.A N THR 10.A O no hydrogen 2.782 N/A ALA 24.A N PHE 36.A O no hydrogen 2.877 N/A VAL 25.A N PHE 8.A O no hydrogen 3.042 N/A GLY 26.A N VAL 34.A O no hydrogen 3.038 N/A TYR 27.A N ARG 6.A O no hydrogen 2.750 N/A VAL 28.A N THR 31.A O no hydrogen 2.920 N/A ASP 29.A N SER 4.A O no hydrogen 2.682 N/A ASP 30.A N TYR 209.A OH no hydrogen 3.265 N/A THR 31.A N VAL 28.A O no hydrogen 2.838 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.741 N/A PHE 33.A N GLY 26.A O no hydrogen 3.009 N/A ARG 35.A N GLU 46.A O no hydrogen 2.967 N/A ARG 35.A NH2 GLU 46.A OE2 no hydrogen 2.732 N/A PHE 36.A N ALA 24.A O no hydrogen 2.742 N/A SER 38.A N PHE 22.A O no hydrogen 2.972 N/A SER 38.A OG PHE 22.A O no hydrogen 3.530 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 3.376 N/A ALA 40.A N SER 38.A O no hydrogen 3.039 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.363 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.778 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.197 N/A GLU 46.A N ARG 35.A O no hydrogen 2.990 N/A ARG 48.A N PHE 33.A O no hydrogen 2.692 N/A VAL 52.A N ALA 49.A O no hydrogen 3.354 N/A GLU 55.A N VAL 52.A O no hydrogen 3.378 N/A TYR 59.A N GLY 56.A O no hydrogen 3.211 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.607 N/A TRP 60.A N GLY 56.A O no hydrogen 3.445 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 3.091 N/A ASP 61.A N PRO 57.A O no hydrogen 2.837 N/A ARG 62.A N GLU 58.A O no hydrogen 3.386 N/A ARG 62.A NH1 GLU 63.A OE2 no hydrogen 3.221 N/A GLU 63.A N TYR 59.A O no hydrogen 2.921 N/A THR 64.A N TRP 60.A O no hydrogen 3.118 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.594 N/A ARG 65.A N ASP 61.A O no hydrogen 2.993 N/A LYS 66.A N ARG 62.A O no hydrogen 3.054 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.982 N/A VAL 67.A N GLU 63.A O no hydrogen 3.071 N/A LYS 68.A N THR 64.A O no hydrogen 3.015 N/A THR 70.A N LYS 66.A O no hydrogen 2.995 N/A THR 70.A OG1 LYS 66.A O no hydrogen 2.628 N/A ALA 71.A N VAL 67.A O no hydrogen 2.823 N/A GLN 72.A N LYS 68.A O no hydrogen 3.281 N/A GLN 72.A NE2 GLU 19.A OE1 no hydrogen 3.042 N/A ILE 73.A N ASN 69.A O no hydrogen 3.124 N/A PHE 74.A N THR 70.A O no hydrogen 3.000 N/A ARG 75.A N ALA 71.A O no hydrogen 3.012 N/A ARG 75.A NH1 GLN 72.A OE1 no hydrogen 3.297 N/A VAL 76.A N GLN 72.A O no hydrogen 3.237 N/A ASP 77.A N ILE 73.A O no hydrogen 2.902 N/A LEU 78.A N PHE 74.A O no hydrogen 3.323 N/A THR 80.A N VAL 76.A O no hydrogen 2.846 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.652 N/A LEU 81.A N ASP 77.A O no hydrogen 2.957 N/A LEU 82.A N LEU 78.A O no hydrogen 3.263 N/A ARG 83.A N THR 80.A O no hydrogen 3.194 N/A TYR 84.A N THR 80.A O no hydrogen 3.115 N/A TYR 85.A N LEU 81.A O no hydrogen 3.303 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.726 N/A ASN 86.A N ARG 83.A O no hydrogen 3.387 N/A GLN 87.A N LEU 82.A O no hydrogen 2.890 N/A SER 88.A OG SER 90.A OG no hydrogen 2.835 N/A SER 90.A N SER 88.A OG no hydrogen 3.326 N/A SER 90.A OG SER 88.A OG no hydrogen 2.835 N/A SER 92.A OG SER 13.A O no hydrogen 2.942 N/A HIS 93.A N SER 13.A OG no hydrogen 2.777 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.817 N/A ASN 94.A N ASP 119.A OD1 no hydrogen 2.944 N/A ILE 95.A N ALA 11.A O no hydrogen 2.971 N/A GLN 96.A N SER 117.A OG no hydrogen 3.028 N/A ARG 97.A N TYR 9.A O no hydrogen 3.026 N/A ARG 97.A NE ASP 116.A OD1 no hydrogen 3.432 N/A ARG 97.A NE ASP 116.A OD2 no hydrogen 2.931 N/A ARG 97.A NH2 ASP 116.A OD2 no hydrogen 3.250 N/A MET 98.A N GLN 115.A O no hydrogen 3.229 N/A TYR 99.A N TYR 7.A O no hydrogen 3.178 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.712 N/A GLY 100.A N TYR 113.A O no hydrogen 3.053 N/A CYS 101.A N LEU 5.A O no hydrogen 3.083 N/A ASP 102.A N ARG 111.A O no hydrogen 2.932 N/A VAL 103.A N HIS 3.A O no hydrogen 2.782 N/A GLU 104.A N ARG 108.A O no hydrogen 2.737 N/A GLY 107.A N GLU 104.A O no hydrogen 2.803 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 3.355 N/A LEU 110.A N ASP 102.A O no hydrogen 2.755 N/A ARG 111.A N ASP 102.A O no hydrogen 3.419 N/A TYR 113.A N GLY 100.A O no hydrogen 3.142 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 2.744 N/A GLN 115.A N MET 98.A O no hydrogen 3.139 N/A ASP 116.A N ILE 124.A O no hydrogen 2.686 N/A SER 117.A N GLN 96.A O no hydrogen 2.956 N/A SER 117.A OG GLN 96.A OE1 no hydrogen 3.494 N/A TYR 118.A N LYS 121.A O no hydrogen 2.963 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.629 N/A ASP 119.A N ASN 94.A O no hydrogen 3.005 N/A LYS 121.A N TYR 118.A O no hydrogen 3.179 N/A TYR 123.A N ASP 116.A O no hydrogen 3.013 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.705 N/A ILE 124.A N ASP 116.A O no hydrogen 3.305 N/A ALA 125.A N THR 134.A O no hydrogen 3.064 N/A LEU 126.A N ASN 114.A O no hydrogen 2.795 N/A ASN 127.A N SER 132.A O no hydrogen 2.966 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.819 N/A LEU 130.A N ASN 127.A O no hydrogen 2.988 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 3.275 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 3.305 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.177 N/A THR 134.A N ALA 125.A O no hydrogen 2.926 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.515 N/A ALA 136.A N TYR 123.A O no hydrogen 2.972 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.911 N/A GLN 141.A N ASP 137.A O no hydrogen 3.129 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.705 N/A GLY 144.A N ALA 140.A O no hydrogen 2.858 N/A ARG 145.A N GLN 141.A O no hydrogen 3.068 N/A LYS 146.A N ILE 142.A O no hydrogen 3.192 N/A TRP 147.A N THR 143.A O no hydrogen 2.882 N/A GLU 148.A N GLY 144.A O no hydrogen 2.914 N/A GLU 149.A N ARG 145.A O no hydrogen 3.274 N/A ALA 150.A N LYS 146.A O no hydrogen 3.130 N/A GLU 152.A N TRP 147.A O no hydrogen 2.924 N/A ARG 155.A NE GLU 152.A OE1 no hydrogen 3.379 N/A ARG 155.A NH1 ALA 150.A O no hydrogen 3.107 N/A ARG 155.A NH1 GLU 152.A OE1 no hydrogen 2.981 N/A ARG 155.A NH2 ALA 150.A O no hydrogen 3.290 N/A TRP 156.A N GLU 152.A O no hydrogen 3.150 N/A ARG 157.A N ALA 153.A O no hydrogen 3.027 N/A ARG 157.A NH1 LEU 130.A O no hydrogen 3.065 N/A ASN 158.A N GLU 154.A O no hydrogen 2.958 N/A TYR 159.A N ARG 155.A O no hydrogen 3.117 N/A LEU 160.A N TRP 156.A O no hydrogen 2.892 N/A GLN 161.A N ARG 157.A O no hydrogen 3.125 N/A GLY 162.A N TYR 159.A O no hydrogen 3.211 N/A CYS 164.A N TYR 159.A O no hydrogen 2.824 N/A GLU 166.A N GLY 162.A O no hydrogen 3.251 N/A SER 167.A N THR 163.A O no hydrogen 3.000 N/A SER 167.A OG THR 163.A O no hydrogen 2.881 N/A LEU 168.A N CYS 164.A O no hydrogen 3.098 N/A ALA 169.A N VAL 165.A O no hydrogen 3.262 N/A LYS 170.A N GLU 166.A O no hydrogen 3.105 N/A LYS 170.A NZ GLU 55.A OE2 no hydrogen 3.442 N/A TYR 171.A N SER 167.A O no hydrogen 2.752 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.607 N/A LEU 172.A N LEU 168.A O no hydrogen 2.954 N/A ASP 173.A N ALA 169.A O no hydrogen 3.278 N/A MET 174.A N LYS 170.A O no hydrogen 2.962 N/A GLY 175.A N TYR 171.A O no hydrogen 3.012 N/A LYS 176.A NZ GLU 177.A OE1 no hydrogen 3.308 N/A THR 178.A N GLY 175.A O no hydrogen 3.180 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.380 N/A LEU 179.A N GLY 175.A O no hydrogen 2.778 N/A GLU 183.A N TYR 209.A O no hydrogen 2.821 N/A SER 184.A OG GLY 265.A O no hydrogen 2.970 N/A ASN 186.A N LEU 206.A O no hydrogen 2.793 N/A ARG 188.A N TRP 204.A O no hydrogen 3.445 N/A THR 190.A N ARG 202.A O no hydrogen 2.938 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.917 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.467 N/A ARG 191.A NE GLU 254.A OE1 no hydrogen 2.771 N/A ARG 191.A NH2 GLU 254.A OE1 no hydrogen 3.160 N/A HIS 192.A N THR 200.A O no hydrogen 2.816 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.917 N/A ILE 194.A N GLU 198.A O no hydrogen 3.016 N/A SER 195.A N GLU 198.A O no hydrogen 3.106 N/A GLU 198.A N SER 195.A OG no hydrogen 3.085 N/A VAL 199.A N VAL 249.A O no hydrogen 2.713 N/A THR 200.A N HIS 192.A O no hydrogen 2.755 N/A THR 200.A OG1 HIS 192.A O no hydrogen 3.509 N/A LEU 201.A N VAL 247.A O no hydrogen 2.903 N/A ARG 202.A N THR 190.A O no hydrogen 2.989 N/A CYS 203.A N ALA 245.A O no hydrogen 2.814 N/A TRP 204.A N ARG 188.A O no hydrogen 2.806 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 2.811 N/A ALA 205.A N LYS 243.A O no hydrogen 2.909 N/A LEU 206.A N ASN 186.A O no hydrogen 3.077 N/A PHE 208.A N PHE 241.A O no hydrogen 3.188 N/A TYR 209.A N GLU 183.A O no hydrogen 3.101 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.741 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.874 N/A THR 214.A N GLN 262.A O no hydrogen 3.082 N/A THR 216.A N HIS 260.A O no hydrogen 3.026 N/A THR 216.A OG1 HIS 260.A O no hydrogen 3.556 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.857 N/A GLN 218.A N THR 258.A O no hydrogen 2.704 N/A ARG 219.A N GLN 222.A O no hydrogen 2.822 N/A ARG 219.A NE ASP 220.A OD2 no hydrogen 3.508 N/A ASP 220.A N ARG 256.A O no hydrogen 3.116 N/A GLN 222.A N ARG 219.A O no hydrogen 2.949 N/A HIS 224.A N TRP 217.A O no hydrogen 3.139 N/A HIS 224.A ND1 ASP 227.A OD2 no hydrogen 3.002 N/A THR 225.A OG1 TRP 217.A O no hydrogen 3.483 N/A THR 225.A OG1 ASP 223.A OD1 no hydrogen 3.014 N/A THR 225.A OG1 ASP 223.A OD2 no hydrogen 3.215 N/A GLN 226.A N GLN 226.A OE1 no hydrogen 2.812 N/A GLN 226.A NE2 ASP 223.A O no hydrogen 3.533 N/A ASP 227.A N HIS 224.A O no hydrogen 3.319 N/A ALA 228.A N THR 225.A O no hydrogen 3.152 N/A GLU 229.A N ALA 246.A O no hydrogen 2.926 N/A VAL 231.A N TRP 244.A O no hydrogen 3.319 N/A ARG 234.A N GLN 242.A O no hydrogen 2.963 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.102 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.347 N/A ALA 236.A N THR 240.A O no hydrogen 2.799 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.436 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.656 N/A PHE 241.A N PHE 208.A O no hydrogen 2.817 N/A GLN 242.A N ARG 234.A O no hydrogen 2.710 N/A LYS 243.A N ALA 205.A O no hydrogen 3.016 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.821 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.323 N/A ALA 245.A N CYS 203.A O no hydrogen 3.179 N/A ALA 246.A N GLU 229.A O no hydrogen 3.039 N/A VAL 247.A N LEU 201.A O no hydrogen 2.974 N/A VAL 249.A N VAL 199.A O no hydrogen 2.718 N/A SER 251.A N ARG 197.A O no hydrogen 2.860 N/A GLU 253.A N SER 250.A O no hydrogen 3.235 N/A GLU 254.A N GLU 254.A OE2 no hydrogen 2.799 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 2.777 N/A ARG 256.A N GLU 253.A O no hydrogen 3.449 N/A ARG 256.A NE ASP 220.A OD1 no hydrogen 2.921 N/A ARG 256.A NH1 GLU 253.A OE1 no hydrogen 2.885 N/A ARG 256.A NH2 ASP 220.A OD2 no hydrogen 3.029 N/A TYR 257.A N GLU 254.A O no hydrogen 3.349 N/A THR 258.A N GLN 218.A O no hydrogen 2.787 N/A CYS 259.A N LEU 272.A O no hydrogen 2.872 N/A CYS 259.A SG THR 216.A O no hydrogen 3.955 N/A HIS 260.A N THR 216.A O no hydrogen 2.743 N/A HIS 260.A ND1 THR 271.A OG1 no hydrogen 2.935 N/A VAL 261.A N ILE 270.A O no hydrogen 2.904 N/A GLN 262.A N THR 214.A O no hydrogen 2.957 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 3.083 N/A LEU 266.A N HIS 263.A O no hydrogen 3.173 N/A ILE 270.A N VAL 261.A O no hydrogen 3.233 N/A THR 271.A OG1 HIS 260.A ND1 no hydrogen 2.935 N/A LEU 272.A N CYS 259.A O no hydrogen 2.840 N/A