Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3upg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 12.A OD1 no hydrogen 3.525 N/A ALA 1.A N PHE 311.A OXT no hydrogen 2.356 N/A ILE 3.A N LEU 11.A O no hydrogen 2.924 N/A ASN 9.A N LYS 6.A O no hydrogen 3.143 N/A LEU 11.A N TYR 4.A O no hydrogen 3.000 N/A ASP 12.A N LYS 41.A O no hydrogen 3.182 N/A LEU 13.A N ALA 1.A O no hydrogen 2.878 N/A LYS 16.A N ARG 37.A O no hydrogen 3.188 N/A VAL 17.A N TYR 309.A O no hydrogen 3.003 N/A ASP 18.A N TYR 35.A O no hydrogen 3.022 N/A GLY 19.A N LEU 307.A O no hydrogen 3.424 N/A HIS 21.A N LEU 305.A O no hydrogen 3.123 N/A TYR 22.A N GLY 31.A O no hydrogen 2.625 N/A TYR 22.A OH GLU 109.A OE2 no hydrogen 3.305 N/A PHE 23.A N VAL 303.A O no hydrogen 2.764 N/A SER 24.A OG ASP 301.A O no hydrogen 2.778 N/A GLY 28.A N ASP 26.A OD1 no hydrogen 2.809 N/A SER 29.A N ASP 26.A O no hydrogen 2.898 N/A ASP 30.A N ASP 26.A O no hydrogen 3.223 N/A GLY 31.A N TYR 22.A O no hydrogen 3.229 N/A GLN 33.A N LEU 20.A O no hydrogen 2.795 N/A THR 34.A N ASP 32.A OD1 no hydrogen 2.639 N/A THR 34.A OG1 ASP 32.A OD1 no hydrogen 2.439 N/A THR 34.A OG1 ASP 32.A OD2 no hydrogen 3.324 N/A TYR 35.A N ASP 18.A O no hydrogen 3.109 N/A MET 36.A N ILE 60.A O no hydrogen 2.862 N/A ARG 37.A N LYS 16.A O no hydrogen 2.881 N/A ILE 38.A N TYR 58.A O no hydrogen 3.150 N/A GLY 39.A N PHE 14.A O no hydrogen 2.891 N/A PHE 40.A N TRP 56.A O no hydrogen 2.581 N/A LYS 41.A N ASP 12.A O no hydrogen 3.191 N/A THR 44.A N GLY 52.A O no hydrogen 2.734 N/A THR 44.A OG1 ASN 9.A OD1 no hydrogen 3.040 N/A GLN 45.A N GLY 8.A O no hydrogen 2.982 N/A THR 51.A N LYS 81.A O no hydrogen 2.872 N/A GLY 52.A N THR 44.A O no hydrogen 2.765 N/A TYR 53.A N GLY 79.A O no hydrogen 3.313 N/A TYR 53.A OH ASP 89.A OD2 no hydrogen 2.773 N/A GLN 55.A N PHE 77.A O no hydrogen 2.851 N/A GLU 57.A N VAL 75.A O no hydrogen 3.078 N/A TYR 58.A N ILE 38.A O no hydrogen 2.766 N/A GLN 59.A N TRP 72.A O no hydrogen 3.134 N/A GLN 59.A NE2 GLN 61.A OE1 no hydrogen 2.382 N/A ILE 60.A N MET 36.A O no hydrogen 2.878 N/A GLN 61.A N ASP 70.A O no hydrogen 2.819 N/A GLN 61.A NE2 ASN 63.A OD1 no hydrogen 2.828 N/A GLY 62.A N THR 34.A O no hydrogen 2.730 N/A GLN 64.A NE2 ASP 70.A OD2 no hydrogen 3.552 N/A SER 68.A OG GLN 64.A OE1 no hydrogen 3.151 N/A SER 71.A OG TYR 58.A OH no hydrogen 3.337 N/A TRP 72.A N GLN 59.A O no hydrogen 3.404 N/A ARG 74.A N GLU 57.A O no hydrogen 2.696 N/A ARG 74.A NH1 GLU 57.A OE2 no hydrogen 3.155 N/A VAL 75.A N GLU 57.A O no hydrogen 3.450 N/A ALA 76.A N ARG 92.A O no hydrogen 2.891 N/A PHE 77.A N GLN 55.A O no hydrogen 3.298 N/A ALA 78.A N TYR 90.A O no hydrogen 3.423 N/A GLY 79.A N TYR 53.A O no hydrogen 3.286 N/A LEU 80.A N PHE 88.A O no hydrogen 2.772 N/A LYS 81.A N THR 51.A O no hydrogen 2.784 N/A PHE 82.A N GLY 86.A O no hydrogen 2.927 N/A ALA 83.A N GLN 49.A O no hydrogen 2.752 N/A ALA 85.A N PHE 82.A O no hydrogen 2.730 N/A SER 87.A N ARG 132.A O no hydrogen 2.746 N/A PHE 88.A N LEU 80.A O no hydrogen 3.015 N/A ASP 89.A N THR 130.A O no hydrogen 3.262 N/A TYR 90.A N ALA 78.A O no hydrogen 3.231 N/A GLY 91.A N TYR 128.A O no hydrogen 2.881 N/A ARG 92.A NE THR 73.A O no hydrogen 2.903 N/A ARG 92.A NH2 THR 73.A O no hydrogen 3.535 N/A ASN 93.A N GLY 125.A O no hydrogen 3.149 N/A GLY 95.A N GLN 123.A O no hydrogen 2.633 N/A VAL 96.A N GLN 148.A OE1 no hydrogen 2.243 N/A THR 97.A OG1 THR 175.A OG1 no hydrogen 3.400 N/A TYR 98.A N GLY 95.A O no hydrogen 2.919 N/A TYR 98.A OH ASP 105.A OD1 no hydrogen 2.846 N/A ASP 99.A N VAL 96.A O no hydrogen 2.872 N/A VAL 100.A N THR 97.A O no hydrogen 2.923 N/A THR 101.A N THR 97.A O no hydrogen 3.164 N/A THR 101.A OG1 THR 97.A O no hydrogen 2.791 N/A SER 102.A N TYR 98.A O no hydrogen 2.962 N/A SER 102.A OG TYR 98.A O no hydrogen 2.550 N/A TRP 103.A N VAL 100.A O no hydrogen 3.465 N/A THR 104.A N THR 101.A O no hydrogen 3.149 N/A THR 104.A OG1 THR 101.A O no hydrogen 3.063 N/A THR 104.A OG1 GLN 198.A OE1 no hydrogen 3.455 N/A THR 104.A OG1 GLU 221.A OE2 no hydrogen 2.424 N/A ASP 105.A N SER 102.A O no hydrogen 2.669 N/A GLU 109.A N ASP 280.A OD2 no hydrogen 2.851 N/A THR 114.A N GLY 112.A O no hydrogen 2.530 N/A THR 114.A OG1 GLU 221.A OE1 no hydrogen 3.160 N/A ASN 119.A N GLY 116.A O no hydrogen 3.355 N/A GLN 122.A NE2 ASN 119.A OD1 no hydrogen 3.337 N/A ARG 124.A NE ARG 74.A O no hydrogen 3.188 N/A ALA 129.A N TYR 149.A O no hydrogen 2.870 N/A THR 130.A N ASP 89.A O no hydrogen 3.456 N/A THR 130.A OG1 ASP 89.A OD1 no hydrogen 3.518 N/A TYR 131.A N LEU 147.A O no hydrogen 3.020 N/A TYR 131.A OH ALA 85.A O no hydrogen 3.273 N/A ARG 132.A N SER 87.A O no hydrogen 2.807 N/A ASN 133.A N PHE 145.A O no hydrogen 2.817 N/A LEU 139.A N PHE 136.A O no hydrogen 3.157 N/A GLY 142.A N ASP 135.A OD1 no hydrogen 3.210 N/A LEU 143.A N VAL 140.A O no hydrogen 3.405 N/A ASP 144.A N THR 161.A O no hydrogen 3.359 N/A PHE 145.A N ASN 133.A O no hydrogen 2.860 N/A ALA 146.A N SER 159.A O no hydrogen 2.802 N/A LEU 147.A N TYR 131.A O no hydrogen 2.996 N/A GLN 148.A N GLY 157.A O no hydrogen 2.873 N/A GLN 148.A NE2 TYR 94.A O no hydrogen 3.099 N/A GLN 148.A NE2 THR 130.A OG1 no hydrogen 3.240 N/A TYR 149.A N ALA 129.A O no hydrogen 2.997 N/A TYR 149.A OH ASP 154.A OD2 no hydrogen 2.714 N/A GLN 150.A N GLY 155.A O no hydrogen 3.134 N/A GLY 157.A N GLN 148.A O no hydrogen 3.017 N/A GLY 158.A N ILE 174.A O no hydrogen 2.985 N/A SER 159.A N ALA 146.A O no hydrogen 2.721 N/A SER 159.A OG ASP 99.A OD2 no hydrogen 3.183 N/A LEU 160.A N GLY 172.A O no hydrogen 2.506 N/A THR 161.A N ASP 144.A O no hydrogen 2.977 N/A THR 161.A OG1 ASP 144.A O no hydrogen 2.607 N/A THR 161.A OG1 ASP 144.A OD2 no hydrogen 2.905 N/A TYR 162.A N VAL 170.A O no hydrogen 2.969 N/A PHE 168.A N GLU 166.A OE1 no hydrogen 3.158 N/A VAL 170.A N TYR 162.A O no hydrogen 2.455 N/A GLY 171.A N GLY 185.A O no hydrogen 2.655 N/A GLY 172.A N LEU 160.A O no hydrogen 2.959 N/A ALA 173.A N THR 183.A O no hydrogen 2.924 N/A ILE 174.A N GLY 158.A O no hydrogen 2.805 N/A THR 175.A N VAL 181.A O no hydrogen 2.727 N/A THR 175.A OG1 THR 97.A OG1 no hydrogen 3.400 N/A THR 176.A N TYR 156.A O no hydrogen 3.135 N/A THR 176.A OG1 THR 176.A O no hydrogen 2.364 N/A SER 177.A OG PHE 120.A O no hydrogen 3.167 N/A LYS 178.A N ASP 154.A O no hydrogen 2.946 N/A THR 180.A OG1 TYR 182.A OH no hydrogen 3.282 N/A VAL 181.A N THR 175.A O no hydrogen 2.295 N/A TYR 182.A N GLN 201.A O no hydrogen 2.444 N/A THR 183.A OG1 ALA 173.A O no hydrogen 3.475 N/A THR 183.A OG1 TYR 182.A O no hydrogen 2.518 N/A THR 183.A OG1 SER 200.A OG no hydrogen 3.414 N/A GLY 184.A N TYR 199.A O no hydrogen 2.955 N/A GLY 185.A N GLY 171.A O no hydrogen 2.759 N/A LEU 186.A N ALA 197.A O no hydrogen 2.458 N/A LYS 187.A N SER 169.A O no hydrogen 3.079 N/A TYR 188.A N LEU 195.A O no hydrogen 2.443 N/A ASP 189.A N GLY 167.A O no hydrogen 2.941 N/A ILE 193.A N ALA 190.A O no hydrogen 2.668 N/A TYR 194.A N GLN 225.A O no hydrogen 2.751 N/A TYR 194.A OH TRP 103.A O no hydrogen 2.825 N/A LEU 195.A N TYR 188.A O no hydrogen 3.102 N/A ALA 196.A N VAL 223.A O no hydrogen 2.970 N/A ALA 197.A N LEU 186.A O no hydrogen 2.636 N/A GLN 198.A N GLU 221.A O no hydrogen 2.835 N/A TYR 199.A N GLY 184.A O no hydrogen 2.895 N/A SER 200.A N ASN 219.A O no hydrogen 2.790 N/A SER 200.A OG TYR 182.A O no hydrogen 1.611 N/A SER 200.A OG THR 183.A OG1 no hydrogen 3.414 N/A SER 200.A OG GLN 201.A O no hydrogen 3.482 N/A THR 202.A OG1 ALA 217.A O no hydrogen 3.312 N/A TYR 203.A N THR 180.A O no hydrogen 2.700 N/A ASN 204.A ND2 ALA 214.A O no hydrogen 3.470 N/A SER 211.A N PHE 208.A O no hydrogen 3.090 N/A SER 211.A OG SER 211.A O no hydrogen 2.699 N/A ALA 217.A N THR 202.A OG1 no hydrogen 3.255 N/A GLN 218.A N LYS 242.A O no hydrogen 3.111 N/A ASN 219.A N SER 200.A O no hydrogen 3.180 N/A ASN 219.A ND2 THR 114.A OG1 no hydrogen 3.315 N/A PHE 220.A N GLN 240.A O no hydrogen 2.735 N/A GLU 221.A N GLN 198.A O no hydrogen 2.763 N/A VAL 222.A N TYR 238.A O no hydrogen 2.676 N/A VAL 223.A N ALA 196.A O no hydrogen 2.804 N/A ALA 224.A N VAL 236.A O no hydrogen 3.072 N/A GLN 227.A N ASN 192.A O no hydrogen 2.783 N/A PHE 228.A N LEU 232.A O no hydrogen 2.842 N/A ARG 233.A N THR 268.A O no hydrogen 2.911 N/A SER 235.A N GLY 266.A O no hydrogen 2.376 N/A VAL 236.A N ALA 224.A O no hydrogen 3.202 N/A ALA 237.A N ASP 264.A O no hydrogen 2.749 N/A TYR 238.A N VAL 222.A O no hydrogen 2.723 N/A LEU 239.A N TYR 262.A O no hydrogen 3.126 N/A GLN 240.A N PHE 220.A O no hydrogen 2.711 N/A SER 241.A N VAL 260.A O no hydrogen 2.685 N/A LYS 242.A N GLN 218.A O no hydrogen 2.853 N/A GLY 243.A N GLN 257.A O no hydrogen 3.076 N/A ILE 246.A N SER 253.A O no hydrogen 2.809 N/A SER 247.A OG GLY 249.A O no hydrogen 2.950 N/A SER 253.A N GLY 251.A O no hydrogen 2.728 N/A SER 253.A OG ALA 252.A O no hydrogen 2.393 N/A TYR 254.A N ALA 252.A O no hydrogen 2.849 N/A TYR 254.A OH ASN 248.A OD1 no hydrogen 3.124 N/A GLY 255.A N SER 253.A O no hydrogen 2.111 N/A ILE 259.A N SER 241.A O no hydrogen 2.800 N/A TYR 262.A N LEU 239.A O no hydrogen 2.988 N/A TYR 262.A OH ASP 113.A OD2 no hydrogen 2.713 N/A VAL 263.A N ILE 283.A O no hydrogen 2.774 N/A VAL 265.A N TYR 281.A O no hydrogen 3.278 N/A ALA 267.A N VAL 279.A O no hydrogen 2.935 N/A THR 268.A N ARG 233.A O no hydrogen 3.232 N/A TYR 269.A N THR 277.A O no hydrogen 2.670 N/A PHE 271.A N MET 275.A O no hydrogen 3.145 N/A ASN 274.A N ASN 272.A OD1 no hydrogen 2.487 N/A ASN 274.A ND2 ASN 272.A OD1 no hydrogen 3.374 N/A MET 275.A N ASN 272.A O no hydrogen 3.258 N/A SER 276.A N VAL 308.A O no hydrogen 2.898 N/A THR 277.A N TYR 269.A O no hydrogen 3.042 N/A THR 277.A OG1 GLY 306.A O no hydrogen 3.298 N/A TYR 278.A N GLY 306.A O no hydrogen 2.755 N/A VAL 279.A N ALA 267.A O no hydrogen 2.897 N/A ASP 280.A N ALA 304.A O no hydrogen 2.781 N/A TYR 281.A N VAL 265.A O no hydrogen 3.094 N/A LYS 282.A N ILE 302.A O no hydrogen 2.577 N/A ILE 283.A N VAL 263.A O no hydrogen 2.661 N/A ASN 284.A N ASP 301.A OD2 no hydrogen 2.864 N/A ASN 284.A ND2 ASN 298.A O no hydrogen 2.859 N/A ASN 284.A ND2 ASP 300.A O no hydrogen 3.339 N/A LEU 285.A N LYS 261.A O no hydrogen 3.168 N/A LEU 286.A N ASN 284.A OD1 no hydrogen 3.360 N/A ASN 289.A N THR 292.A OG1 no hydrogen 2.878 N/A THR 292.A N ASN 289.A OD1 no hydrogen 3.265 N/A THR 292.A OG1 ASN 289.A O no hydrogen 2.823 N/A ARG 293.A N ASN 289.A O no hydrogen 2.614 N/A ASP 294.A N ASP 290.A O no hydrogen 3.030 N/A ALA 295.A N PHE 291.A O no hydrogen 3.217 N/A GLY 296.A N ARG 293.A O no hydrogen 2.913 N/A ILE 297.A N THR 292.A O no hydrogen 3.185 N/A ASN 298.A ND2 ASP 300.A O no hydrogen 3.141 N/A THR 299.A OG1 LEU 286.A O no hydrogen 3.395 N/A VAL 303.A N PHE 23.A O no hydrogen 2.989 N/A ALA 304.A N ASP 280.A O no hydrogen 2.521 N/A LEU 305.A N HIS 21.A O no hydrogen 3.053 N/A GLY 306.A N TYR 278.A O no hydrogen 3.008 N/A LEU 307.A N GLY 19.A O no hydrogen 2.948 N/A VAL 308.A N SER 276.A O no hydrogen 2.898 N/A TYR 309.A N VAL 17.A O no hydrogen 3.237 N/A GLN 310.A N ASN 274.A O no hydrogen 2.735 N/A