Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nu1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N THR 60.A OG1 no hydrogen 2.831 N/A ARG 3.A NE MET 57.A O no hydrogen 3.111 N/A ARG 3.A NE LYS 58.A O no hydrogen 2.871 N/A ARG 3.A NH2 MET 57.A O no hydrogen 3.007 N/A ILE 4.A N GLU 23.A O no hydrogen 2.759 N/A VAL 5.A N MET 61.A O no hydrogen 2.975 N/A THR 6.A N ALA 26.A O no hydrogen 3.375 N/A THR 6.A OG1 THR 12.A OG1 no hydrogen 2.474 N/A ILE 7.A N LEU 63.A O no hydrogen 2.733 N/A GLY 8.A N ASP 28.A OD1 no hydrogen 2.750 N/A GLY 9.A N THR 30.A OG1 no hydrogen 3.011 N/A THR 12.A N GLY 8.A O no hydrogen 2.842 N/A THR 12.A OG1 THR 6.A OG1 no hydrogen 2.474 N/A THR 12.A OG1 GLY 8.A O no hydrogen 3.419 N/A THR 12.A OG1 SER 31.A OG no hydrogen 2.725 N/A GLU 13.A N GLY 9.A O no hydrogen 3.078 N/A ILE 14.A N ASP 10.A O no hydrogen 3.205 N/A ALA 15.A N VAL 11.A O no hydrogen 2.896 N/A TYR 16.A N THR 12.A O no hydrogen 2.950 N/A ALA 17.A N GLU 13.A O no hydrogen 3.066 N/A LEU 18.A N ILE 14.A O no hydrogen 2.902 N/A LEU 18.A N ALA 15.A O no hydrogen 2.980 N/A GLY 19.A N TYR 16.A O no hydrogen 3.040 N/A ALA 20.A N ALA 15.A O no hydrogen 3.242 N/A GLU 23.A N ALA 20.A O no hydrogen 2.833 N/A ILE 24.A N GLY 21.A O no hydrogen 3.338 N/A VAL 25.A N ILE 4.A O no hydrogen 2.813 N/A ARG 27.A N PRO 41.A O no hydrogen 3.098 N/A ARG 27.A NE ALA 37.A O no hydrogen 2.847 N/A ARG 27.A NE LEU 40.A O no hydrogen 3.335 N/A ARG 27.A NH1 ASP 28.A O no hydrogen 3.503 N/A ARG 27.A NH2 LEU 40.A O no hydrogen 3.024 N/A SER 29.A N GLY 44.A O no hydrogen 2.803 N/A SER 29.A OG ASP 42.A OD1 no hydrogen 3.334 N/A SER 29.A OG ASP 42.A OD2 no hydrogen 3.099 N/A THR 30.A N ASP 28.A OD2 no hydrogen 3.034 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 3.286 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 2.576 N/A SER 31.A N ASP 28.A O no hydrogen 2.889 N/A SER 31.A OG THR 12.A OG1 no hydrogen 2.725 N/A SER 31.A OG ASP 28.A OD1 no hydrogen 2.551 N/A ALA 37.A N PRO 34.A O no hydrogen 2.796 N/A GLN 38.A N GLN 35.A O no hydrogen 2.735 N/A GLN 38.A NE2 GLN 32.A O no hydrogen 2.908 N/A LYS 39.A N ALA 36.A O no hydrogen 3.329 N/A LEU 40.A N ALA 37.A O no hydrogen 3.184 N/A VAL 43.A N ARG 27.A O no hydrogen 2.793 N/A GLY 44.A N ASP 42.A OD1 no hydrogen 2.843 N/A ARG 47.A NH1 TYR 45.A OH no hydrogen 2.850 N/A THR 48.A N TYR 45.A O no hydrogen 2.840 N/A LEU 49.A N GLN 69.A O no hydrogen 2.923 N/A GLY 53.A N ASN 50.A OD1 no hydrogen 3.163 N/A ILE 54.A N ALA 51.A O no hydrogen 3.018 N/A LEU 55.A N ALA 51.A O no hydrogen 2.886 N/A ALA 56.A N GLU 52.A O no hydrogen 2.861 N/A MET 57.A N ILE 54.A O no hydrogen 3.126 N/A LYS 58.A N LEU 55.A O no hydrogen 2.949 N/A THR 60.A N ARG 3.A O no hydrogen 2.755 N/A THR 60.A OG1 GLU 2.A OE1 no hydrogen 2.792 N/A THR 60.A OG1 ARG 3.A O no hydrogen 3.496 N/A MET 61.A N ARG 3.A O no hydrogen 3.325 N/A LEU 62.A N ASN 83.A O no hydrogen 2.775 N/A LEU 63.A N VAL 5.A O no hydrogen 2.933 N/A VAL 64.A N VAL 85.A O no hydrogen 2.924 N/A SER 65.A N ILE 7.A O no hydrogen 2.944 N/A GLU 66.A N VAL 87.A O no hydrogen 2.768 N/A LEU 67.A N SER 65.A OG no hydrogen 3.002 N/A ALA 68.A N SER 65.A O no hydrogen 3.116 N/A GLN 69.A N MET 46.A O no hydrogen 2.996 N/A VAL 73.A N PRO 70.A O no hydrogen 2.962 N/A LEU 74.A N SER 71.A O no hydrogen 2.837 N/A THR 75.A N SER 71.A O no hydrogen 3.288 N/A GLN 76.A N LEU 72.A O no hydrogen 2.830 N/A ILE 77.A N VAL 73.A O no hydrogen 2.894 N/A ALA 78.A N LEU 74.A O no hydrogen 2.844 N/A SER 79.A N THR 75.A O no hydrogen 2.890 N/A SER 79.A OG THR 75.A O no hydrogen 3.133 N/A SER 80.A N GLN 76.A O no hydrogen 3.320 N/A SER 80.A OG ILE 77.A O no hydrogen 2.895 N/A GLY 81.A N ALA 78.A O no hydrogen 2.862 N/A ASN 83.A N THR 60.A O no hydrogen 2.872 N/A VAL 85.A N LEU 62.A O no hydrogen 2.749 N/A VAL 87.A N VAL 64.A O no hydrogen 2.762 N/A GLY 89.A N GLU 66.A OE1 no hydrogen 3.042 N/A SER 95.A N THR 92.A O no hydrogen 3.026 N/A SER 95.A OG GLN 90.A O no hydrogen 3.016 N/A LYS 99.A N SER 95.A O no hydrogen 2.931 N/A LYS 99.A NZ ASP 10.A OD2 no hydrogen 2.907 N/A LYS 99.A NZ PHE 235.A O no hydrogen 2.691 N/A ILE 100.A N VAL 96.A O no hydrogen 2.845 N/A ASN 101.A N ALA 97.A O no hydrogen 3.109 N/A ALA 102.A N MET 98.A O no hydrogen 3.120 N/A VAL 103.A N LYS 99.A O no hydrogen 3.127 N/A ALA 104.A N ILE 100.A O no hydrogen 2.958 N/A THR 105.A N ASN 101.A O no hydrogen 2.859 N/A THR 105.A OG1 ASN 101.A O no hydrogen 3.288 N/A ALA 106.A N ALA 102.A O no hydrogen 3.115 N/A LEU 107.A N VAL 103.A O no hydrogen 2.921 N/A GLN 109.A N ALA 104.A O no hydrogen 3.044 N/A GLY 113.A N GLN 109.A O no hydrogen 3.005 N/A GLN 114.A N THR 110.A O no hydrogen 2.946 N/A GLN 114.A NE2 GLU 118.A OE2 no hydrogen 3.487 N/A LYS 115.A N GLU 111.A O no hydrogen 2.998 N/A LEU 116.A N LYS 112.A O no hydrogen 2.968 N/A ILE 117.A N GLY 113.A O no hydrogen 2.752 N/A GLU 118.A N GLN 114.A O no hydrogen 3.281 N/A ASP 119.A N LYS 115.A O no hydrogen 3.197 N/A TYR 120.A N LEU 116.A O no hydrogen 3.016 N/A TYR 120.A OH PRO 93.A O no hydrogen 2.739 N/A GLN 121.A N ILE 117.A O no hydrogen 2.832 N/A GLN 122.A N GLU 118.A O no hydrogen 2.849 N/A ARG 123.A N ASP 119.A O no hydrogen 2.880 N/A ARG 123.A NE ASP 119.A OD1 no hydrogen 2.837 N/A ARG 123.A NH1 LEU 237.A O no hydrogen 3.281 N/A ARG 123.A NH2 ASP 119.A OD1 no hydrogen 3.504 N/A ARG 123.A NH2 LEU 237.A O no hydrogen 2.945 N/A LEU 124.A N TYR 120.A O no hydrogen 2.711 N/A ALA 125.A N GLN 121.A O no hydrogen 2.867 N/A VAL 127.A N LEU 124.A O no hydrogen 3.097 N/A ASN 128.A ND2 GLU 251.A OE2 no hydrogen 3.445 N/A LEU 132.A N GLY 164.A O no hydrogen 2.639 N/A VAL 134.A N LEU 132.A O no hydrogen 2.784 N/A LYS 135.A N ASP 189.A OD2 no hydrogen 2.702 N/A LYS 135.A NZ SER 186.A O no hydrogen 2.748 N/A VAL 136.A N SER 166.A O no hydrogen 2.678 N/A LEU 137.A N LEU 190.A O no hydrogen 3.056 N/A VAL 139.A N LEU 192.A O no hydrogen 2.946 N/A MET 140.A N MET 148.A O no hydrogen 2.745 N/A MET 148.A N MET 140.A O no hydrogen 3.041 N/A ALA 149.A N ARG 176.A O no hydrogen 2.896 N/A ALA 150.A N PHE 138.A O no hydrogen 3.251 N/A GLY 151.A N ARG 174.A O no hydrogen 2.608 N/A GLN 152.A N PHE 172.A O no hydrogen 2.825 N/A ASN 153.A ND2 SER 173.A OG no hydrogen 2.807 N/A THR 154.A OG1 GLY 151.A O no hydrogen 2.905 N/A ASP 157.A N THR 154.A OG1 no hydrogen 3.066 N/A ALA 158.A N THR 154.A O no hydrogen 3.084 N/A MET 159.A N ALA 155.A O no hydrogen 2.826 N/A ILE 160.A N ALA 156.A O no hydrogen 2.975 N/A ARG 161.A N ASP 157.A O no hydrogen 3.202 N/A ARG 161.A NE ASP 157.A OD1 no hydrogen 2.880 N/A ARG 161.A NH2 ASP 157.A OD1 no hydrogen 2.998 N/A ALA 162.A N ALA 158.A O no hydrogen 2.834 N/A ALA 163.A N MET 159.A O no hydrogen 3.044 N/A ALA 163.A N ILE 160.A O no hydrogen 3.237 N/A GLY 164.A N ARG 161.A O no hydrogen 3.001 N/A GLY 165.A N ILE 160.A O no hydrogen 3.023 N/A SER 166.A N VAL 134.A O no hydrogen 2.906 N/A ASN 167.A ND2 ALA 150.A O no hydrogen 3.270 N/A ASN 167.A ND2 ASP 157.A OD2 no hydrogen 2.848 N/A ALA 168.A N VAL 136.A O no hydrogen 2.948 N/A MET 169.A N ASN 167.A OD1 no hydrogen 2.970 N/A ARG 174.A N GLN 152.A O no hydrogen 3.033 N/A ARG 174.A NH1 ASN 153.A O no hydrogen 3.301 N/A ARG 176.A N ALA 149.A O no hydrogen 3.100 N/A LEU 178.A N PRO 147.A O no hydrogen 3.009 N/A SER 179.A OG GLU 181.A OE1 no hydrogen 3.082 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.574 N/A GLY 182.A N SER 179.A OG no hydrogen 3.081 N/A VAL 183.A N SER 179.A O no hydrogen 2.934 N/A ILE 184.A N GLN 180.A O no hydrogen 2.974 N/A ALA 185.A N GLU 181.A O no hydrogen 2.943 N/A SER 186.A N GLY 182.A O no hydrogen 3.052 N/A SER 186.A OG GLY 182.A O no hydrogen 2.643 N/A ALA 187.A N VAL 183.A O no hydrogen 3.282 N/A ASP 189.A N LYS 135.A O no hydrogen 2.797 N/A LEU 190.A N LYS 135.A O no hydrogen 3.208 N/A LEU 191.A N ARG 223.A O no hydrogen 3.028 N/A LEU 192.A N LEU 137.A O no hydrogen 2.880 N/A ILE 193.A N LEU 225.A O no hydrogen 3.021 N/A THR 194.A OG1 ASP 229.A OD2 no hydrogen 2.723 N/A THR 195.A N VAL 227.A O no hydrogen 2.913 N/A THR 195.A OG1 ASP 228.A OD1 no hydrogen 3.406 N/A ASP 196.A N ASP 229.A OD1 no hydrogen 3.210 N/A GLY 197.A N THR 194.A OG1 no hydrogen 3.022 N/A VAL 198.A N THR 194.A O no hydrogen 3.111 N/A LYS 199.A N THR 195.A O no hydrogen 3.278 N/A ALA 200.A N ASP 196.A O no hydrogen 2.899 N/A LEU 201.A N GLY 197.A O no hydrogen 3.146 N/A LEU 201.A N VAL 198.A O no hydrogen 3.136 N/A GLY 202.A N VAL 198.A O no hydrogen 3.095 N/A SER 203.A N ASN 206.A OD1 no hydrogen 3.438 N/A SER 203.A OG ASN 206.A OD1 no hydrogen 3.462 N/A GLU 205.A N SER 203.A OG no hydrogen 3.325 N/A ILE 207.A N SER 203.A O no hydrogen 3.332 N/A TRP 208.A N SER 204.A O no hydrogen 3.303 N/A TRP 208.A N GLU 205.A O no hydrogen 3.224 N/A LYS 209.A N ASN 206.A O no hydrogen 3.016 N/A LEU 210.A N ILE 207.A O no hydrogen 3.229 N/A MET 213.A N LEU 210.A O no hydrogen 2.892 N/A LEU 215.A N GLY 212.A O no hydrogen 3.064 N/A THR 216.A N MET 213.A O no hydrogen 3.277 N/A THR 216.A OG1 MET 213.A O no hydrogen 2.573 N/A ALA 218.A N PRO 188.A O no hydrogen 3.021 N/A GLY 219.A N THR 216.A OG1 no hydrogen 3.186 N/A LYS 220.A N THR 216.A O no hydrogen 2.997 N/A HIS 221.A N PRO 217.A O no hydrogen 3.185 N/A ARG 223.A N ALA 218.A O no hydrogen 2.942 N/A LEU 225.A N LEU 191.A O no hydrogen 2.958 N/A VAL 227.A N ILE 193.A O no hydrogen 2.939 N/A LEU 232.A N ASP 228.A O no hydrogen 2.904 N/A LEU 233.A N ASP 229.A O no hydrogen 3.133 N/A GLY 234.A N MET 230.A O no hydrogen 2.767 N/A THR 239.A N GLY 236.A O no hydrogen 3.151 N/A THR 239.A OG1 GLY 236.A O no hydrogen 2.908 N/A VAL 242.A N GLU 238.A O no hydrogen 3.152 N/A LEU 243.A N THR 239.A O no hydrogen 2.908 N/A ALA 244.A N PRO 240.A O no hydrogen 2.964 N/A ALA 244.A N GLN 241.A O no hydrogen 3.104 N/A GLN 245.A N GLN 241.A O no hydrogen 3.171 N/A LEU 246.A N VAL 242.A O no hydrogen 3.128 N/A ARG 247.A N LEU 243.A O no hydrogen 2.860 N/A ARG 247.A NE GLU 251.A OE2 no hydrogen 2.804 N/A ARG 247.A NH1 THR 130.A O no hydrogen 2.561 N/A ARG 247.A NH1 ALA 163.A O no hydrogen 2.964 N/A ARG 247.A NH2 THR 130.A O no hydrogen 3.000 N/A GLU 248.A N ALA 244.A O no hydrogen 2.822 N/A LYS 249.A N GLN 245.A O no hydrogen 2.960 N/A LYS 249.A NZ LEU 224.A O no hydrogen 2.967 N/A MET 250.A N LEU 246.A O no hydrogen 3.096 N/A GLU 251.A N ARG 247.A O no hydrogen 2.840 N/A GLN 252.A N GLU 248.A O no hydrogen 2.871 N/A MET 253.A N MET 250.A O no hydrogen 2.818 N/A GLN 254.A N GLU 251.A O no hydrogen 3.095 N/A