Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nq3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ALA 91.A O no hydrogen 2.609 N/A LYS 4.A N GLU 89.A O no hydrogen 2.868 N/A LYS 4.A NZ ALA 27.A O no hydrogen 3.450 N/A LYS 4.A NZ GLU 89.A OE1 no hydrogen 3.332 N/A LYS 4.A NZ GLU 89.A OE2 no hydrogen 3.310 N/A HIS 6.A N VAL 87.A O no hydrogen 2.765 N/A HIS 6.A NE2 GLU 89.A OE1 no hydrogen 2.927 N/A ARG 7.A NE GLU 312.A OE1 no hydrogen 2.790 N/A ARG 7.A NH1 GLU 262.A O no hydrogen 3.372 N/A ARG 7.A NH1 THR 264.A O no hydrogen 2.744 N/A ARG 7.A NH2 GLU 262.A O no hydrogen 2.569 N/A ARG 7.A NH2 GLU 262.A OE2 no hydrogen 3.497 N/A ARG 7.A NH2 GLU 312.A OE1 no hydrogen 3.455 N/A ILE 8.A N PHE 85.A O no hydrogen 2.860 N/A ALA 11.A N ASP 15.A OD2 no hydrogen 2.883 N/A SER 12.A OG ASP 14.A OD1 no hydrogen 2.412 N/A ASP 15.A N SER 12.A O no hydrogen 3.170 N/A SER 17.A N ASP 15.A OD1 no hydrogen 3.044 N/A SER 17.A OG ASP 15.A OD1 no hydrogen 2.592 N/A ALA 20.A N VAL 16.A O no hydrogen 2.889 N/A ALA 21.A N SER 17.A O no hydrogen 3.026 N/A ALA 22.A N GLY 18.A O no hydrogen 3.011 N/A ILE 23.A N LEU 19.A O no hydrogen 3.035 N/A ALA 24.A N ALA 20.A O no hydrogen 2.854 N/A THR 25.A N ALA 21.A O no hydrogen 2.885 N/A THR 25.A OG1 ALA 21.A O no hydrogen 3.104 N/A THR 25.A OG1 ALA 22.A O no hydrogen 3.406 N/A GLY 26.A N ILE 23.A O no hydrogen 2.973 N/A ILE 28.A N ALA 22.A O no hydrogen 3.095 N/A ALA 29.A N GLU 89.A OE2 no hydrogen 2.756 N/A GLY 32.A N ALA 29.A O no hydrogen 2.830 N/A ILE 33.A N PRO 30.A O no hydrogen 3.112 N/A LEU 34.A N PHE 88.A O no hydrogen 2.783 N/A ALA 35.A N PHE 88.A O no hydrogen 3.346 N/A ILE 36.A N CYS 72.A O no hydrogen 2.710 N/A PHE 37.A N LEU 86.A O no hydrogen 2.808 N/A GLY 38.A N VAL 74.A O no hydrogen 2.830 N/A LYS 39.A N HIS 84.A O no hydrogen 2.912 N/A LYS 39.A NZ SER 75.A O no hydrogen 3.064 N/A LYS 39.A NZ SER 75.A OG no hydrogen 3.088 N/A LYS 39.A NZ GLY 76.A O no hydrogen 2.857 N/A LYS 39.A NZ GLY 77.A O no hydrogen 3.196 N/A LYS 39.A NZ VAL 315.A O no hydrogen 3.087 N/A THR 40.A N SER 75.A O no hydrogen 3.091 N/A THR 40.A OG1 SER 50.A OG no hydrogen 2.837 N/A ASN 43.A ND2 ASN 47.A OD1 no hydrogen 3.028 N/A GLY 44.A N ASP 48.A OD2 no hydrogen 2.681 N/A CYS 45.A N ASN 43.A OD1 no hydrogen 2.828 N/A CYS 45.A SG ASN 43.A O no hydrogen 3.520 N/A CYS 45.A SG SER 291.A OG no hydrogen 3.657 N/A SER 50.A N ASP 48.A OD1 no hydrogen 2.842 N/A SER 50.A OG THR 40.A OG1 no hydrogen 2.837 N/A SER 50.A OG ASP 48.A OD1 no hydrogen 2.662 N/A ARG 51.A N ASP 48.A OD1 no hydrogen 3.428 N/A ARG 51.A NE GLU 216.A OE1 no hydrogen 3.067 N/A ARG 51.A NH1 CYS 45.A O no hydrogen 2.886 N/A ARG 51.A NH2 CYS 45.A O no hydrogen 2.952 N/A ARG 51.A NH2 VAL 46.A O no hydrogen 3.352 N/A PHE 53.A N PHE 49.A O no hydrogen 3.006 N/A ALA 54.A N SER 50.A O no hydrogen 2.956 N/A VAL 55.A N ARG 51.A O no hydrogen 3.015 N/A GLN 56.A N GLY 52.A O no hydrogen 2.889 N/A SER 57.A N PHE 53.A O no hydrogen 3.072 N/A SER 57.A OG PHE 53.A O no hydrogen 2.927 N/A LEU 58.A N ALA 54.A O no hydrogen 2.801 N/A GLN 59.A N VAL 55.A O no hydrogen 2.659 N/A LEU 61.A N LEU 58.A O no hydrogen 2.894 N/A ARG 62.A N GLN 59.A O no hydrogen 2.715 N/A ARG 62.A NH1 ASP 69.A OD1 no hydrogen 3.279 N/A HIS 64.A N LEU 61.A O no hydrogen 3.039 N/A ALA 68.A N GLY 65.A O no hydrogen 3.081 N/A ASP 69.A N ALA 66.A O no hydrogen 3.150 N/A GLU 70.A N ALA 67.A O no hydrogen 3.099 N/A VAL 71.A N ALA 68.A O no hydrogen 3.012 N/A CYS 72.A N LEU 34.A O no hydrogen 3.131 N/A CYS 72.A SG ALA 103.A O no hydrogen 3.654 N/A CYS 72.A SG ILE 222.A O no hydrogen 3.622 N/A LEU 73.A N GLU 221.A OE1 no hydrogen 2.979 N/A VAL 74.A N ILE 36.A O no hydrogen 2.967 N/A SER 75.A OG SER 212.A OG no hydrogen 3.306 N/A GLY 77.A N THR 40.A O no hydrogen 3.069 N/A THR 78.A OG1 THR 78.A O no hydrogen 2.559 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.674 N/A HIS 84.A ND1 SER 82.A O no hydrogen 2.659 N/A PHE 85.A N ILE 8.A O no hydrogen 2.831 N/A LEU 86.A N PHE 37.A O no hydrogen 2.686 N/A VAL 87.A N HIS 6.A O no hydrogen 2.793 N/A PHE 88.A N ALA 35.A O no hydrogen 2.893 N/A GLU 89.A N LYS 4.A O no hydrogen 2.734 N/A ARG 90.A N GLY 32.A O no hydrogen 2.607 N/A ALA 91.A N ILE 2.A O no hydrogen 2.814 N/A ASN 94.A N ASN 94.A OD1 no hydrogen 2.338 N/A ALA 97.A N SER 227.A O no hydrogen 3.170 N/A LEU 98.A N LEU 234.A O no hydrogen 2.724 N/A ALA 99.A N GLY 226.A O no hydrogen 2.656 N/A GLY 101.A N VAL 224.A O no hydrogen 2.908 N/A ARG 102.A NH1 LEU 34.A O no hydrogen 3.555 N/A ALA 103.A N ILE 222.A O no hydrogen 2.947 N/A HIS 104.A NE2 GLU 70.A O no hydrogen 2.886 N/A THR 105.A OG1 PRO 106.A O no hydrogen 2.919 N/A THR 105.A OG1 HIS 220.A ND1 no hydrogen 3.008 N/A LEU 108.A N LEU 218.A O no hydrogen 2.929 N/A GLU 111.A N GLU 111.A OE2 no hydrogen 2.416 N/A ALA 112.A N PRO 109.A O no hydrogen 2.805 N/A GLY 114.A N GLN 117.A OE1 no hydrogen 2.756 N/A ARG 115.A N ALA 112.A O no hydrogen 2.900 N/A ARG 115.A NH1 GLU 111.A O no hydrogen 2.904 N/A ARG 115.A NH1 THR 161.A O no hydrogen 3.038 N/A GLN 117.A N ALA 112.A O no hydrogen 3.393 N/A GLN 117.A NE2 SER 173.A OG no hydrogen 2.866 N/A GLN 117.A NE2 HIS 220.A NE2 no hydrogen 3.036 N/A VAL 118.A N ARG 115.A O no hydrogen 3.281 N/A ALA 121.A N VAL 118.A O no hydrogen 2.981 N/A GLN 122.A N ARG 119.A O no hydrogen 3.020 N/A VAL 124.A N VAL 120.A O no hydrogen 2.744 N/A ARG 125.A N ALA 121.A O no hydrogen 3.081 N/A ARG 126.A N GLN 122.A O no hydrogen 3.126 N/A ARG 126.A NH1 HIS 104.A O no hydrogen 2.943 N/A ALA 127.A N ALA 123.A O no hydrogen 2.846 N/A ALA 129.A N ARG 126.A O no hydrogen 2.989 N/A ALA 130.A N ALA 127.A O no hydrogen 2.988 N/A GLY 131.A N ALA 128.A O no hydrogen 2.875 N/A GLU 136.A N ASP 134.A OD1 no hydrogen 3.130 N/A ASP 137.A N ASP 134.A O no hydrogen 2.912 N/A VAL 138.A N PRO 135.A O no hydrogen 2.884 N/A HIS 139.A N LEU 225.A O no hydrogen 2.790 N/A HIS 139.A ND1 HIS 238.A ND1 no hydrogen 3.025 N/A PHE 140.A N LEU 225.A O no hydrogen 3.126 N/A VAL 141.A N ARG 208.A O no hydrogen 2.932 N/A GLN 142.A N VAL 223.A O no hydrogen 2.907 N/A GLN 142.A NE2 VAL 143.A O no hydrogen 3.292 N/A VAL 143.A N SER 210.A O no hydrogen 2.886 N/A LYS 144.A N GLU 221.A O no hydrogen 2.901 N/A LYS 144.A NZ SER 212.A OG no hydrogen 2.836 N/A LYS 144.A NZ SER 213.A O no hydrogen 3.041 N/A CYS 145.A N SER 212.A O no hydrogen 2.823 N/A CYS 145.A SG SER 173.A OG no hydrogen 3.106 N/A CYS 145.A SG SER 212.A O no hydrogen 3.610 N/A LEU 148.A N SER 170.A OG no hydrogen 2.895 N/A ARG 151.A NH1 LEU 147.A O no hydrogen 2.962 N/A ARG 151.A NH2 ILE 215.A O no hydrogen 2.907 N/A VAL 152.A N THR 149.A O no hydrogen 3.056 N/A LYS 153.A N ALA 150.A O no hydrogen 3.055 N/A LYS 153.A NZ GLU 156.A OE1 no hydrogen 3.273 N/A ALA 155.A N ARG 151.A O no hydrogen 3.051 N/A GLU 156.A N VAL 152.A O no hydrogen 2.986 N/A ALA 157.A N LYS 153.A O no hydrogen 2.988 N/A ARG 158.A N ALA 155.A O no hydrogen 3.208 N/A ARG 158.A NH1 GLU 111.A OE1 no hydrogen 2.967 N/A ARG 158.A NH1 GLU 111.A OE2 no hydrogen 3.295 N/A ARG 158.A NH2 GLU 111.A OE2 no hydrogen 3.488 N/A GLY 159.A N GLU 156.A O no hydrogen 2.996 N/A ALA 160.A N ALA 155.A O no hydrogen 3.091 N/A THR 162.A OG1 THR 164.A O no hydrogen 2.508 N/A ASP 166.A N THR 164.A OG1 no hydrogen 3.107 N/A LEU 168.A N ASP 166.A OD1 no hydrogen 2.949 N/A LYS 169.A N ASP 166.A OD1 no hydrogen 3.163 N/A SER 170.A N ASP 166.A O no hydrogen 2.905 N/A SER 170.A OG LEU 148.A O no hydrogen 3.486 N/A SER 170.A OG THR 167.A O no hydrogen 2.577 N/A LEU 172.A N LYS 169.A O no hydrogen 2.985 N/A SER 173.A N SER 170.A O no hydrogen 2.850 N/A SER 173.A OG PRO 146.A O no hydrogen 2.931 N/A ARG 174.A NE GLU 320.A OE1 no hydrogen 2.798 N/A ARG 174.A NH2 GLU 320.A OE1 no hydrogen 3.509 N/A ARG 174.A NH2 GLU 320.A OE2 no hydrogen 2.906 N/A GLY 175.A N GLY 171.A O no hydrogen 2.766 N/A ALA 176.A N LEU 172.A O no hydrogen 2.771 N/A SER 177.A N SER 173.A O no hydrogen 3.072 N/A SER 177.A OG SER 173.A O no hydrogen 2.938 N/A ALA 178.A N ARG 174.A O no hydrogen 2.831 N/A LEU 179.A N GLY 175.A O no hydrogen 2.996 N/A GLY 180.A N ALA 176.A O no hydrogen 2.970 N/A ILE 181.A N SER 177.A O no hydrogen 2.909 N/A ALA 182.A N ALA 178.A O no hydrogen 2.803 N/A LEU 183.A N LEU 179.A O no hydrogen 2.619 N/A ALA 184.A N GLY 180.A O no hydrogen 2.910 N/A LEU 185.A N ILE 181.A O no hydrogen 2.949 N/A LEU 185.A N ALA 182.A O no hydrogen 3.055 N/A GLY 186.A N LEU 183.A O no hydrogen 3.414 N/A GLU 187.A N ALA 182.A O no hydrogen 2.981 N/A ASP 191.A N ASP 191.A OD1 no hydrogen 2.462 N/A ALA 192.A N ALA 189.A O no hydrogen 3.116 N/A LEU 193.A N GLU 190.A O no hydrogen 3.182 N/A VAL 197.A N SER 194.A O no hydrogen 3.060 N/A ILE 198.A N ASP 195.A O no hydrogen 3.276 N/A CYS 199.A N HIS 321.A NE2 no hydrogen 2.851 N/A CYS 199.A SG GLY 171.A O no hydrogen 3.584 N/A ALA 200.A N VAL 197.A O no hydrogen 2.907 N/A ASP 201.A N VAL 197.A O no hydrogen 2.950 N/A GLY 203.A N ASP 201.A OD1 no hydrogen 3.035 N/A LEU 204.A N ASP 201.A O no hydrogen 3.036 N/A SER 206.A N HIS 321.A O no hydrogen 3.018 N/A SER 206.A OG GLU 187.A OE1 no hydrogen 2.561 N/A ALA 207.A N GLU 187.A OE2 no hydrogen 3.060 N/A ARG 208.A N SER 206.A OG no hydrogen 2.743 N/A ARG 208.A NE GLU 187.A OE2 no hydrogen 3.219 N/A ARG 208.A NH1 VAL 138.A O no hydrogen 3.332 N/A ARG 208.A NH2 GLU 187.A OE2 no hydrogen 2.705 N/A ALA 209.A N SER 206.A OG no hydrogen 2.874 N/A SER 210.A N VAL 141.A O no hydrogen 2.836 N/A SER 210.A OG GLN 142.A OE1 no hydrogen 2.944 N/A CYS 211.A N GLN 322.A OE1 no hydrogen 2.814 N/A CYS 211.A SG ARG 174.A O no hydrogen 3.623 N/A SER 212.A N VAL 143.A O no hydrogen 2.877 N/A SER 212.A OG SER 75.A OG no hydrogen 3.306 N/A SER 213.A OG CYS 145.A O no hydrogen 3.441 N/A SER 213.A OG PRO 146.A O no hydrogen 2.661 N/A GLY 214.A N CYS 145.A O no hydrogen 2.897 N/A HIS 220.A N THR 105.A OG1 no hydrogen 3.092 N/A HIS 220.A ND1 THR 105.A OG1 no hydrogen 3.008 N/A GLU 221.A N LYS 144.A O no hydrogen 3.098 N/A ILE 222.A N ALA 103.A O no hydrogen 2.826 N/A VAL 223.A N GLN 142.A O no hydrogen 2.981 N/A VAL 224.A N GLY 101.A O no hydrogen 2.754 N/A LEU 225.A N PHE 140.A O no hydrogen 2.842 N/A GLY 226.A N ALA 99.A O no hydrogen 2.996 N/A SER 227.A OG GLY 131.A O no hydrogen 3.445 N/A GLY 229.A N SER 227.A OG no hydrogen 2.845 N/A TRP 230.A N SER 227.A O no hydrogen 3.479 N/A TRP 230.A NE1 ALA 130.A O no hydrogen 2.893 N/A SER 231.A N PRO 1.A O no hydrogen 2.982 N/A ALA 235.A N ALA 334.A O no hydrogen 3.060 N/A ALA 237.A N VAL 332.A O no hydrogen 3.005 N/A HIS 238.A ND1 HIS 139.A ND1 no hydrogen 3.025 N/A GLY 239.A N VAL 330.A O no hydrogen 2.803 N/A ILE 244.A N ASP 242.A OD1 no hydrogen 3.283 N/A ASP 245.A N ASP 242.A O no hydrogen 3.132 N/A THR 247.A OG1 ASP 245.A OD1 no hydrogen 2.438 N/A ALA 251.A N THR 247.A O no hydrogen 2.943 N/A ALA 252.A N PRO 248.A O no hydrogen 2.846 N/A LEU 253.A N VAL 249.A O no hydrogen 2.858 N/A SER 254.A N LYS 250.A O no hydrogen 3.092 N/A ALA 255.A N ALA 251.A O no hydrogen 3.024 N/A LEU 256.A N ALA 252.A O no hydrogen 3.087 N/A GLY 257.A N SER 254.A O no hydrogen 2.947 N/A ALA 258.A N LEU 253.A O no hydrogen 2.996 N/A GLY 261.A N THR 264.A OG1 no hydrogen 3.020 N/A THR 264.A N GLY 261.A O no hydrogen 2.869 N/A THR 264.A OG1 GLY 261.A O no hydrogen 3.112 N/A ILE 265.A N ILE 333.A O no hydrogen 3.323 N/A LEU 267.A N ALA 331.A O no hydrogen 2.991 N/A ALA 268.A N TYR 314.A O no hydrogen 2.865 N/A LYS 269.A N PRO 329.A O no hydrogen 2.906 N/A LYS 269.A NZ CYS 211.A O no hydrogen 2.982 N/A LYS 269.A NZ SER 316.A OG no hydrogen 2.864 N/A LYS 269.A NZ GLY 317.A O no hydrogen 3.014 N/A LYS 269.A NZ GLY 318.A O no hydrogen 2.938 N/A ALA 270.A N SER 316.A O no hydrogen 2.780 N/A SER 273.A OG ARG 277.A O no hydrogen 2.651 N/A SER 273.A OG HIS 283.A NE2 no hydrogen 3.156 N/A ARG 274.A N ASP 325.A OD1 no hydrogen 3.304 N/A ARG 274.A N ASP 325.A OD2 no hydrogen 3.033 N/A ARG 274.A NH1 GLU 271.A OE2 no hydrogen 2.702 N/A ARG 274.A NH1 ASP 325.A OD1 no hydrogen 2.943 N/A GLY 276.A N SER 273.A O no hydrogen 3.049 N/A ARG 277.A N SER 275.A OG no hydrogen 3.190 N/A ARG 277.A NH1 GLY 280.A O no hydrogen 2.853 N/A ILE 278.A N LYS 281.A O no hydrogen 2.730 N/A ARG 279.A NE ASP 242.A OD2 no hydrogen 2.963 N/A ARG 279.A NH2 ASP 242.A OD1 no hydrogen 3.373 N/A LYS 281.A N ILE 278.A O no hydrogen 2.987 N/A HIS 283.A N GLY 276.A O no hydrogen 2.838 N/A HIS 283.A NE2 SER 273.A O no hydrogen 2.982 N/A HIS 283.A NE2 SER 273.A OG no hydrogen 3.156 N/A ASP 286.A N THR 284.A O no hydrogen 3.270 N/A ASP 289.A N ASP 287.A OD1 no hydrogen 2.814 N/A ILE 290.A N ASP 287.A OD1 no hydrogen 3.202 N/A ARG 294.A N SER 291.A O no hydrogen 2.831 N/A ARG 294.A NH1 GLU 79.A OE2 no hydrogen 2.502 N/A HIS 295.A N SER 291.A O no hydrogen 3.461 N/A HIS 295.A NE2 ASP 287.A OD2 no hydrogen 3.026 N/A ALA 296.A N PRO 292.A O no hydrogen 2.977 N/A ARG 297.A N THR 293.A O no hydrogen 2.882 N/A ARG 297.A NE GLU 79.A OE1 no hydrogen 2.818 N/A ARG 297.A NE GLU 79.A OE2 no hydrogen 3.374 N/A ARG 297.A NH2 GLU 79.A OE2 no hydrogen 2.851 N/A ALA 298.A N ARG 294.A O no hydrogen 3.302 N/A PHE 299.A N HIS 295.A O no hydrogen 2.916 N/A VAL 300.A N ALA 296.A O no hydrogen 2.844 N/A ALA 301.A N ARG 297.A O no hydrogen 2.782 N/A GLY 302.A N ALA 298.A O no hydrogen 3.177 N/A ALA 303.A N PHE 299.A O no hydrogen 3.155 N/A LEU 304.A N VAL 300.A O no hydrogen 3.030 N/A ALA 305.A N ALA 301.A O no hydrogen 2.834 N/A GLY 306.A N GLY 302.A O no hydrogen 2.952 N/A VAL 307.A N LEU 304.A O no hydrogen 2.912 N/A VAL 308.A N LEU 304.A O no hydrogen 2.836 N/A GLY 309.A N ALA 305.A O no hydrogen 2.835 N/A HIS 310.A NE2 THR 264.A O no hydrogen 3.089 N/A GLU 312.A N HIS 310.A ND1 no hydrogen 3.112 N/A TYR 314.A N VAL 266.A O no hydrogen 2.989 N/A SER 316.A N ALA 268.A O no hydrogen 2.979 N/A GLY 318.A N ALA 270.A O no hydrogen 2.816 N/A GLU 320.A N GLU 320.A OE1 no hydrogen 2.745 N/A HIS 321.A ND1 LEU 204.A O no hydrogen 2.636 N/A GLN 322.A N GLY 319.A O no hydrogen 2.868 N/A GLN 322.A NE2 GLY 318.A O no hydrogen 3.312 N/A GLN 322.A NE2 GLU 320.A O no hydrogen 3.078 N/A GLY 323.A N SER 206.A O no hydrogen 2.900 N/A GLY 326.A N GLU 271.A OE1 no hydrogen 3.090 N/A GLY 327.A N PRO 324.A O no hydrogen 2.868 N/A VAL 330.A N GLY 239.A O no hydrogen 2.791 N/A ALA 331.A N LEU 267.A O no hydrogen 2.802 N/A VAL 332.A N ALA 237.A O no hydrogen 2.774 N/A ILE 333.A N ILE 265.A O no hydrogen 2.939 N/A ALA 334.A N ALA 235.A O no hydrogen 3.196 N/A THR 337.A N GLY 257.A O no hydrogen 2.983 N/A THR 337.A OG1 GLY 257.A O no hydrogen 3.463 N/A