Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r0q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 6.A N PHE 3.A O no hydrogen 2.812 N/A TYR 6.A OH GLU 119.A OE1 no hydrogen 3.165 N/A SER 7.A N CYS 4.A O no hydrogen 3.164 N/A SER 7.A OG CYS 4.A O no hydrogen 3.052 N/A PHE 8.A N THR 5.A O no hydrogen 3.122 N/A HIS 11.A N PHE 8.A O no hydrogen 2.814 N/A GLN 12.A N PHE 8.A O no hydrogen 3.030 N/A GLN 12.A NE2 TYR 6.A O no hydrogen 2.757 N/A LYS 13.A N LEU 9.A O no hydrogen 2.743 N/A ASP 14.A N TYR 10.A O no hydrogen 3.206 N/A MET 15.A N HIS 11.A O no hydrogen 3.306 N/A LEU 16.A N GLN 12.A O no hydrogen 3.146 N/A SER 17.A N ASP 14.A O no hydrogen 3.022 N/A SER 17.A OG LYS 13.A O no hydrogen 2.536 N/A ASP 18.A N MET 15.A O no hydrogen 2.926 N/A ARG 21.A N ASP 18.A OD2 no hydrogen 3.373 N/A ARG 21.A NE MET 15.A O no hydrogen 2.998 N/A MET 22.A N ASP 18.A O no hydrogen 2.867 N/A ASP 23.A N ARG 19.A O no hydrogen 2.708 N/A ALA 24.A N VAL 20.A O no hydrogen 3.066 N/A TYR 25.A N ARG 21.A O no hydrogen 3.310 N/A TYR 25.A OH SER 109.A O no hydrogen 2.620 N/A PHE 26.A N MET 22.A O no hydrogen 2.792 N/A ASN 27.A N ASP 23.A O no hydrogen 2.985 N/A ASN 27.A ND2 ASP 23.A O no hydrogen 2.574 N/A ALA 28.A N ALA 24.A O no hydrogen 2.850 N/A VAL 29.A N TYR 25.A O no hydrogen 3.180 N/A PHE 30.A N PHE 26.A O no hydrogen 3.158 N/A GLN 31.A N ASN 27.A O no hydrogen 2.932 N/A ASN 32.A N VAL 29.A O no hydrogen 2.995 N/A ASN 32.A ND2 ALA 28.A O no hydrogen 2.831 N/A ASN 32.A ND2 GLN 273.A O no hydrogen 3.002 N/A HIS 35.A N ASN 32.A O no hydrogen 2.849 N/A HIS 35.A ND1 TYR 140.A OH no hydrogen 2.613 N/A HIS 35.A NE2 ASP 269.A O no hydrogen 2.992 N/A HIS 35.A NE2 ASP 269.A OD1 no hydrogen 2.742 N/A PHE 36.A N LYS 33.A O no hydrogen 2.876 N/A GLU 37.A N LYS 33.A O no hydrogen 2.480 N/A GLY 38.A N GLY 59.A O no hydrogen 2.626 N/A LYS 39.A N PHE 36.A O no hydrogen 3.029 N/A THR 40.A N ASP 105.A OD2 no hydrogen 2.677 N/A VAL 41.A N LYS 62.A O no hydrogen 2.928 N/A LEU 42.A N VAL 106.A O no hydrogen 2.899 N/A ASP 43.A N TYR 64.A O no hydrogen 2.581 N/A VAL 44.A N ILE 108.A O no hydrogen 3.336 N/A GLY 45.A N VAL 66.A O no hydrogen 2.803 N/A THR 46.A N VAL 66.A O no hydrogen 3.100 N/A THR 46.A OG1 ASP 43.A OD1 no hydrogen 2.601 N/A GLY 47.A N GLU 67.A OE1 no hydrogen 3.099 N/A GLY 49.A N THR 46.A O no hydrogen 2.877 N/A ILE 53.A N GLY 49.A O no hydrogen 2.968 N/A TRP 54.A N ILE 50.A O no hydrogen 3.236 N/A SER 55.A N LEU 51.A O no hydrogen 2.960 N/A SER 55.A OG LEU 51.A O no hydrogen 2.854 N/A ALA 56.A N ALA 52.A O no hydrogen 3.004 N/A GLN 57.A N ILE 53.A O no hydrogen 2.789 N/A ALA 58.A N TRP 54.A O no hydrogen 2.725 N/A ALA 58.A N SER 55.A O no hydrogen 2.931 N/A GLY 59.A N ALA 56.A O no hydrogen 3.090 N/A ALA 60.A N SER 55.A O no hydrogen 3.416 N/A ARG 61.A N LYS 39.A O no hydrogen 2.582 N/A ARG 61.A NH2 GLU 102.A OE2 no hydrogen 3.059 N/A VAL 63.A N ILE 87.A O no hydrogen 2.769 N/A TYR 64.A N VAL 41.A O no hydrogen 2.609 N/A TYR 64.A OH GLU 102.A OE2 no hydrogen 3.415 N/A ALA 65.A N GLU 89.A O no hydrogen 3.132 N/A VAL 66.A N ASP 43.A O no hydrogen 3.094 N/A GLU 67.A N ILE 91.A O no hydrogen 3.045 N/A THR 69.A N GLU 67.A OE2 no hydrogen 3.137 N/A THR 69.A OG1 GLU 67.A OE2 no hydrogen 2.957 N/A LYS 70.A NZ ASP 73.A OD2 no hydrogen 3.041 N/A ALA 72.A N THR 69.A O no hydrogen 2.838 N/A ASP 73.A N LYS 70.A O no hydrogen 3.135 N/A HIS 74.A N MET 71.A O no hydrogen 2.915 N/A ALA 75.A N MET 71.A O no hydrogen 3.222 N/A ARG 76.A N ALA 72.A O no hydrogen 3.109 N/A ARG 76.A NH2 VAL 90.A O no hydrogen 2.474 N/A ALA 77.A N ASP 73.A O no hydrogen 3.096 N/A LEU 78.A N HIS 74.A O no hydrogen 2.651 N/A VAL 79.A N ALA 75.A O no hydrogen 2.872 N/A LYS 80.A N ARG 76.A O no hydrogen 3.357 N/A ALA 81.A N ALA 77.A O no hydrogen 3.192 N/A ASN 82.A ND2 LEU 78.A O no hydrogen 3.114 N/A ASN 83.A N LYS 80.A O no hydrogen 3.095 N/A LEU 84.A N VAL 79.A O no hydrogen 3.029 N/A ILE 87.A N LEU 84.A O no hydrogen 3.135 N/A VAL 88.A N LEU 84.A O no hydrogen 3.011 N/A GLU 89.A N VAL 63.A O no hydrogen 3.090 N/A ILE 91.A N ALA 65.A O no hydrogen 2.745 N/A GLY 93.A N GLU 67.A O no hydrogen 2.763 N/A ASP 97.A N SER 94.A O no hydrogen 2.786 N/A VAL 104.A N TRP 132.A O no hydrogen 3.103 N/A ASP 105.A N THR 40.A O no hydrogen 3.059 N/A VAL 106.A N THR 40.A O no hydrogen 3.221 N/A ILE 107.A N VAL 138.A O no hydrogen 2.967 N/A ILE 108.A N LEU 42.A O no hydrogen 3.071 N/A SER 109.A N TYR 140.A O no hydrogen 3.246 N/A SER 109.A OG VAL 44.A O no hydrogen 2.350 N/A GLY 113.A N LEU 116.A O no hydrogen 3.382 N/A LEU 117.A N PHE 115.A O no hydrogen 2.630 N/A ARG 118.A N TYR 114.A O no hydrogen 3.329 N/A GLU 119.A N ARG 322.A O no hydrogen 2.891 N/A SER 120.A N LEU 117.A O no hydrogen 3.314 N/A SER 120.A OG HIS 321.A O no hydrogen 3.035 N/A SER 124.A N MET 121.A O no hydrogen 3.099 N/A SER 124.A OG GLU 96.A OE2 no hydrogen 2.832 N/A ILE 126.A N PHE 122.A O no hydrogen 2.891 N/A SER 127.A N ASP 123.A O no hydrogen 3.259 N/A ALA 128.A N SER 124.A O no hydrogen 2.921 N/A ARG 129.A N VAL 125.A O no hydrogen 2.718 N/A ARG 129.A NE ASP 130.A OD1 no hydrogen 3.328 N/A ARG 129.A NH1 CYS 226.A O no hydrogen 2.498 N/A ARG 129.A NH1 ALA 229.A O no hydrogen 3.493 N/A ARG 129.A NH2 ASP 130.A OD1 no hydrogen 3.180 N/A ARG 129.A NH2 ALA 229.A O no hydrogen 3.371 N/A ASP 130.A N ILE 126.A O no hydrogen 2.750 N/A ARG 131.A N SER 127.A O no hydrogen 3.180 N/A TRP 132.A N ALA 128.A O no hydrogen 3.170 N/A LEU 133.A N ARG 129.A O no hydrogen 2.888 N/A LYS 134.A N VAL 104.A O no hydrogen 3.301 N/A LYS 134.A NZ ASP 105.A OD1 no hydrogen 2.830 N/A GLY 137.A N LYS 134.A O no hydrogen 2.638 N/A VAL 138.A N ASP 105.A O no hydrogen 2.773 N/A TYR 140.A N ILE 107.A O no hydrogen 2.777 N/A TYR 140.A OH HIS 35.A ND1 no hydrogen 2.613 N/A SER 142.A N GLN 262.A O no hydrogen 2.540 N/A SER 142.A OG HIS 143.A ND1 no hydrogen 2.837 N/A SER 142.A OG GLN 262.A O no hydrogen 3.228 N/A HIS 143.A N GLN 262.A O no hydrogen 3.369 N/A HIS 143.A ND1 SER 142.A OG no hydrogen 2.837 N/A ALA 144.A N MET 224.A O no hydrogen 3.026 N/A MET 146.A N LYS 222.A O no hydrogen 3.082 N/A TRP 147.A N TRP 258.A O no hydrogen 2.768 N/A TRP 147.A NE1 ASP 260.A OD2 no hydrogen 2.705 N/A LEU 148.A N THR 219.A O no hydrogen 2.912 N/A ALA 149.A N GLY 256.A O no hydrogen 3.007 N/A ILE 151.A N GLY 254.A O no hydrogen 3.051 N/A LYS 152.A N GLN 213.A O no hydrogen 2.829 N/A ILE 155.A N SER 153.A OG no hydrogen 3.359 N/A ARG 158.A N ASN 154.A O no hydrogen 3.156 N/A LYS 159.A N ILE 155.A O no hydrogen 2.994 N/A ASN 161.A N ASP 157.A O no hydrogen 2.851 N/A PHE 163.A N LYS 159.A O no hydrogen 2.712 N/A ASP 164.A N ARG 160.A O no hydrogen 3.100 N/A GLY 165.A N ASN 161.A O no hydrogen 3.192 N/A ALA 166.A N ASP 162.A O no hydrogen 2.953 N/A MET 167.A N PHE 163.A O no hydrogen 2.857 N/A ALA 168.A N ASP 164.A O no hydrogen 2.869 N/A ASP 169.A N GLY 165.A O no hydrogen 2.965 N/A TRP 170.A N ALA 166.A O no hydrogen 3.097 N/A TRP 170.A NE1 THR 189.A OG1 no hydrogen 3.214 N/A HIS 171.A N MET 167.A O no hydrogen 3.184 N/A ASN 172.A N ALA 168.A O no hydrogen 3.319 N/A ASN 172.A ND2 ALA 168.A O no hydrogen 2.662 N/A PHE 173.A N ASP 169.A O no hydrogen 3.017 N/A SER 174.A N TRP 170.A O no hydrogen 2.789 N/A SER 174.A OG TRP 170.A O no hydrogen 3.538 N/A SER 174.A OG HIS 171.A O no hydrogen 3.249 N/A ASP 175.A N HIS 171.A O no hydrogen 3.352 N/A GLU 176.A N ASN 172.A O no hydrogen 2.731 N/A ILE 177.A N PHE 173.A O no hydrogen 2.865 N/A ILE 177.A N SER 174.A O no hydrogen 3.220 N/A LYS 178.A N SER 174.A O no hydrogen 3.109 N/A SER 179.A N ASP 175.A O no hydrogen 3.179 N/A TYR 180.A N GLU 176.A O no hydrogen 3.360 N/A VAL 183.A N ILE 177.A O no hydrogen 3.329 N/A LEU 188.A N MET 185.A O no hydrogen 3.135 N/A THR 189.A N GLY 186.A O no hydrogen 3.083 N/A THR 189.A OG1 GLY 186.A O no hydrogen 3.123 N/A PHE 192.A N LEU 188.A O no hydrogen 2.943 N/A ALA 193.A N THR 189.A O no hydrogen 3.105 N/A GLU 194.A N LYS 190.A O no hydrogen 2.903 N/A GLU 195.A N PRO 191.A O no hydrogen 3.141 N/A GLN 196.A N PHE 192.A O no hydrogen 3.180 N/A GLN 196.A N ALA 193.A O no hydrogen 2.896 N/A GLU 197.A N ALA 193.A O no hydrogen 2.920 N/A LYS 198.A N GLU 194.A O no hydrogen 2.711 N/A TYR 200.A N GLN 196.A O no hydrogen 3.186 N/A ILE 201.A N GLU 197.A O no hydrogen 2.913 N/A GLN 202.A N GLU 197.A O no hydrogen 3.190 N/A GLN 202.A NE2 THR 346.A O no hydrogen 3.352 N/A THR 203.A OG1 LYS 198.A O no hydrogen 2.612 N/A ALA 204.A N PHE 348.A O no hydrogen 2.808 N/A MET 205.A N VAL 293.A O no hydrogen 3.057 N/A TRP 206.A NE1 HIS 288.A O no hydrogen 3.103 N/A ASN 207.A N GLN 291.A O no hydrogen 2.779 N/A LEU 209.A N GLN 291.A OE1 no hydrogen 2.600 N/A ASN 210.A N GLN 213.A OE1 no hydrogen 3.046 N/A GLN 213.A N ASN 210.A O no hydrogen 2.820 N/A GLN 213.A NE2 LYS 152.A O no hydrogen 3.291 N/A ILE 214.A N PRO 211.A O no hydrogen 3.387 N/A ILE 215.A N PRO 150.A O no hydrogen 2.941 N/A THR 217.A N SER 243.A O no hydrogen 2.939 N/A THR 219.A N LEU 148.A O no hydrogen 2.831 N/A THR 219.A OG1 LEU 148.A O no hydrogen 3.453 N/A VAL 221.A N MET 146.A O no hydrogen 3.046 N/A LYS 222.A NZ GLU 233.A OE2 no hydrogen 2.974 N/A MET 224.A N ALA 144.A O no hydrogen 3.163 N/A CYS 226.A N SER 142.A O no hydrogen 3.444 N/A CYS 226.A SG PRO 141.A O no hydrogen 4.034 N/A LEU 227.A N ASP 225.A OD2 no hydrogen 3.209 N/A THR 228.A N ASP 225.A O no hydrogen 2.866 N/A ALA 229.A N ASP 225.A O no hydrogen 2.641 N/A SER 230.A N GLU 233.A OE1 no hydrogen 3.254 N/A ILE 234.A N VAL 231.A O no hydrogen 2.945 N/A GLU 236.A N MET 314.A O no hydrogen 2.581 N/A ARG 238.A N LEU 312.A O no hydrogen 3.025 N/A ASN 240.A N LEU 310.A O no hydrogen 3.043 N/A ASN 240.A ND2 ILE 220.A O no hydrogen 2.724 N/A THR 242.A N LEU 308.A O no hydrogen 2.845 N/A THR 242.A OG1 THR 217.A O no hydrogen 2.692 N/A SER 243.A N THR 217.A OG1 no hydrogen 3.161 N/A VAL 244.A N ASP 306.A O no hydrogen 2.997 N/A ILE 245.A N ILE 215.A O no hydrogen 3.023 N/A GLU 248.A N ASN 246.A O no hydrogen 2.262 N/A THR 250.A N VAL 302.A O no hydrogen 3.300 N/A LEU 252.A N ILE 300.A O no hydrogen 2.795 N/A CYS 253.A N ILE 151.A O no hydrogen 3.154 N/A CYS 253.A SG SER 153.A O no hydrogen 3.693 N/A PHE 255.A N PHE 294.A O no hydrogen 2.996 N/A GLY 256.A N ALA 149.A O no hydrogen 3.034 N/A GLY 257.A N GLN 292.A O no hydrogen 3.018 N/A TRP 258.A N TRP 147.A O no hydrogen 3.357 N/A PHE 259.A N THR 279.A OG1 no hydrogen 2.865 N/A ASP 260.A N ARG 145.A O no hydrogen 2.753 N/A VAL 261.A N LEU 277.A O no hydrogen 3.010 N/A GLN 262.A N HIS 143.A O no hydrogen 3.064 N/A PHE 263.A N ILE 275.A O no hydrogen 3.048 N/A SER 264.A N SER 142.A OG no hydrogen 2.808 N/A SER 264.A OG GLU 274.A OE1 no hydrogen 3.179 N/A ARG 266.A N ASP 269.A O no hydrogen 3.173 N/A ARG 266.A NH1 GLY 137.A O no hydrogen 3.291 N/A ASP 269.A N ARG 266.A O no hydrogen 3.006 N/A ALA 271.A N SER 264.A O no hydrogen 3.126 N/A GLN 273.A N ASN 32.A OD1 no hydrogen 3.114 N/A LEU 277.A N VAL 261.A O no hydrogen 2.929 N/A THR 278.A OG1 ASP 260.A OD1 no hydrogen 3.026 N/A THR 279.A N PHE 259.A O no hydrogen 3.139 N/A THR 279.A OG1 PHE 259.A O no hydrogen 2.984 N/A ALA 280.A N THR 278.A OG1 no hydrogen 2.975 N/A CYS 286.A SG THR 287.A O no hydrogen 3.510 N/A HIS 288.A N ASP 18.A OD1 no hydrogen 2.892 N/A HIS 288.A ND1 ASP 18.A OD1 no hydrogen 3.038 N/A GLY 290.A N THR 287.A O no hydrogen 3.211 N/A GLN 291.A N ASN 207.A O no hydrogen 2.619 N/A GLN 291.A NE2 THR 279.A O no hydrogen 2.990 N/A GLN 292.A N GLY 257.A O no hydrogen 3.197 N/A GLN 292.A NE2 TRP 289.A O no hydrogen 3.573 N/A VAL 293.A N MET 205.A O no hydrogen 2.809 N/A PHE 294.A N PHE 255.A O no hydrogen 2.868 N/A MET 296.A N CYS 253.A O no hydrogen 2.784 N/A ILE 300.A N LEU 252.A O no hydrogen 3.250 N/A GLY 305.A N VAL 244.A O no hydrogen 3.349 N/A ASP 306.A N GLU 303.A O no hydrogen 3.222 N/A ASN 307.A N LYS 333.A O no hydrogen 2.725 N/A LEU 308.A N THR 242.A O no hydrogen 2.669 N/A ASN 309.A N GLU 331.A O no hydrogen 2.663 N/A LEU 310.A N ASN 240.A O no hydrogen 2.975 N/A GLY 311.A N ASN 329.A O no hydrogen 2.719 N/A LEU 312.A N ARG 238.A O no hydrogen 2.777 N/A MET 314.A N GLU 236.A O no hydrogen 2.347 N/A SER 315.A N GLU 325.A O no hydrogen 3.281 N/A ARG 316.A NH1 ASP 123.A OD2 no hydrogen 2.974 N/A ARG 316.A NH2 ASP 123.A OD1 no hydrogen 2.813 N/A ARG 316.A NH2 ASP 123.A OD2 no hydrogen 2.992 N/A SER 317.A N LEU 323.A O no hydrogen 3.313 N/A SER 317.A OG ASN 320.A O no hydrogen 2.884 N/A ARG 322.A N ASN 320.A OD1 no hydrogen 3.068 N/A ARG 322.A NH1 GLU 119.A O no hydrogen 2.471 N/A GLU 325.A N SER 315.A O no hydrogen 2.864 N/A ILE 326.A N TYR 347.A O no hydrogen 2.769 N/A LEU 328.A N LYS 345.A O no hydrogen 3.017 N/A ASN 329.A N GLY 311.A O no hydrogen 2.834 N/A CYS 330.A N PHE 343.A O no hydrogen 2.722 N/A GLU 331.A N ASN 309.A O no hydrogen 3.081 N/A LYS 333.A N ASN 307.A O no hydrogen 2.915 N/A SER 336.A OG SER 336.A O no hydrogen 2.480 N/A PHE 343.A N CYS 330.A O no hydrogen 2.834 N/A LYS 345.A N LEU 328.A O no hydrogen 3.164 N/A TYR 347.A N ILE 326.A O no hydrogen 2.781 N/A TYR 347.A OH ILE 295.A O no hydrogen 2.553 N/A PHE 348.A N GLN 202.A O no hydrogen 2.720 N/A ILE 349.A N MET 324.A O no hydrogen 3.293 N/A