Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9nsw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 9.A N GLN 12.A OE1 no hydrogen 3.059 N/A GLN 12.A N GLN 12.A OE1 no hydrogen 2.820 N/A VAL 13.A N GLY 9.A O no hydrogen 2.977 N/A ILE 14.A N HIS 10.A O no hydrogen 2.965 N/A HIS 15.A N ASN 11.A O no hydrogen 3.121 N/A GLN 16.A N GLN 12.A O no hydrogen 3.006 N/A GLN 16.A NE2 GLN 12.A O no hydrogen 2.980 N/A TYR 17.A N VAL 13.A O no hydrogen 2.906 N/A PHE 18.A N ILE 14.A O no hydrogen 3.424 N/A ASP 19.A N HIS 15.A O no hydrogen 3.172 N/A GLU 20.A N GLN 16.A O no hydrogen 2.907 N/A LYS 21.A N PHE 18.A O no hydrogen 3.076 N/A LYS 21.A NZ GLU 234.A OE1 no hydrogen 3.264 N/A LYS 21.A NZ GLU 234.A OE2 no hydrogen 3.311 N/A ASN 22.A N ASP 19.A O no hydrogen 2.887 N/A THR 23.A N PHE 18.A O no hydrogen 3.477 N/A THR 23.A OG1 GLU 222.A O no hydrogen 2.658 N/A GLY 25.A N ASN 40.A OD1 no hydrogen 2.885 N/A VAL 26.A N ASN 220.A O no hydrogen 2.878 N/A LEU 27.A N TYR 38.A O no hydrogen 2.798 N/A VAL 28.A N ALA 218.A O no hydrogen 2.861 N/A ILE 29.A N ASN 36.A O no hydrogen 2.918 N/A GLN 30.A N ALA 216.A O no hydrogen 2.884 N/A THR 31.A N LYS 34.A O no hydrogen 2.988 N/A THR 31.A OG1 ILE 214.A O no hydrogen 2.782 N/A LYS 34.A N THR 31.A O no hydrogen 2.927 N/A ASN 36.A N ILE 29.A O no hydrogen 2.885 N/A TYR 38.A N LEU 27.A O no hydrogen 2.928 N/A ASN 40.A ND2 ASP 19.A OD1 no hydrogen 2.806 N/A ASN 40.A ND2 THR 23.A O no hydrogen 2.859 N/A ALA 41.A N GLY 25.A O no hydrogen 3.091 N/A ARG 44.A N ALA 41.A O no hydrogen 3.022 N/A ARG 44.A NE ASN 220.A OD1 no hydrogen 2.893 N/A ARG 44.A NH2 ASN 220.A OD1 no hydrogen 2.840 N/A ALA 45.A N LEU 42.A O no hydrogen 3.031 N/A THR 47.A N ARG 44.A O no hydrogen 3.087 N/A THR 47.A OG1 SER 43.A O no hydrogen 2.814 N/A TYR 49.A N VAL 145.A O no hydrogen 2.902 N/A SER 53.A OG SER 99.A OG no hydrogen 3.028 N/A THR 54.A N PRO 51.A O no hydrogen 3.278 N/A THR 54.A OG1 PRO 51.A O no hydrogen 2.704 N/A THR 54.A OG1 GLU 150.A OE1 no hydrogen 3.396 N/A THR 54.A OG1 GLU 150.A OE2 no hydrogen 2.666 N/A PHE 55.A N ALA 52.A O no hydrogen 3.025 N/A ASN 58.A N PHE 55.A O no hydrogen 2.903 N/A ASN 58.A ND2 TYR 104.A O no hydrogen 3.145 N/A LEU 60.A N MET 56.A O no hydrogen 3.158 N/A ILE 61.A N LEU 57.A O no hydrogen 2.892 N/A GLY 62.A N ASN 58.A O no hydrogen 2.858 N/A LEU 63.A N ALA 59.A O no hydrogen 2.949 N/A GLU 64.A N LEU 60.A O no hydrogen 2.962 N/A ASN 65.A N ILE 61.A O no hydrogen 3.080 N/A GLN 66.A N LEU 63.A O no hydrogen 3.096 N/A LYS 67.A N GLY 62.A O no hydrogen 2.906 N/A THR 68.A OG1 ASP 69.A O no hydrogen 3.423 N/A THR 68.A OG1 GLU 72.A OE1 no hydrogen 2.771 N/A ASN 71.A N ASP 69.A OD2 no hydrogen 3.063 N/A GLU 72.A N ASP 69.A O no hydrogen 3.194 N/A PHE 74.A N MET 90.A O no hydrogen 2.763 N/A LYS 75.A NZ ILE 73.A O no hydrogen 2.837 N/A TRP 76.A N ASP 89.A OD1 no hydrogen 2.852 N/A TRP 76.A NE1 GLU 79.A O no hydrogen 2.789 N/A LYS 77.A NZ LYS 75.A O no hydrogen 2.852 N/A LYS 77.A NZ GLU 106.A OE1 no hydrogen 2.782 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.751 N/A ARG 81.A N GLU 87.A OE1 no hydrogen 2.876 N/A ARG 81.A NE GLU 79.A OE2 no hydrogen 2.831 N/A ARG 81.A NH1 TRP 86.A O no hydrogen 2.838 N/A TRP 86.A N PHE 83.A O no hydrogen 2.968 N/A TRP 86.A NE1 LEU 98.A O no hydrogen 3.035 N/A GLU 87.A N THR 84.A O no hydrogen 2.945 N/A LYS 88.A N TRP 86.A O no hydrogen 2.981 N/A LYS 88.A NZ GLU 94.A OE2.A no hydrogen 2.758 N/A MET 90.A N PHE 74.A O no hydrogen 2.969 N/A THR 91.A N GLU 94.A OE1.B no hydrogen 3.001 N/A THR 91.A OG1 GLU 94.A OE1.B no hydrogen 3.437 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.115 N/A ALA 95.A N THR 91.A O no hydrogen 2.927 N/A MET 96.A N LEU 92.A O no hydrogen 2.827 N/A LYS 97.A N GLY 93.A O no hydrogen 3.193 N/A LEU 98.A N GLU 94.A O no hydrogen 2.974 N/A SER 99.A N MET 96.A O no hydrogen 3.091 N/A SER 99.A OG SER 53.A OG no hydrogen 3.028 N/A ALA 100.A N ALA 95.A O no hydrogen 2.869 N/A VAL 103.A N ALA 100.A O no hydrogen 3.039 N/A TYR 104.A OH LEU 92.A O no hydrogen 2.811 N/A GLN 105.A N VAL 101.A O no hydrogen 2.861 N/A GLN 105.A NE2 ASP 135.A O no hydrogen 2.978 N/A GLU 106.A N PRO 102.A O no hydrogen 3.080 N/A LEU 107.A N VAL 103.A O no hydrogen 3.063 N/A ALA 108.A N TYR 104.A O no hydrogen 2.827 N/A ARG 109.A N GLN 105.A O no hydrogen 3.031 N/A ARG 109.A NH2 ASP 135.A OD2 no hydrogen 2.831 N/A ARG 110.A N GLU 106.A O no hydrogen 3.133 N/A ARG 110.A NH1 LYS 67.A O no hydrogen 3.054 N/A ARG 110.A NH1 GLU 72.A OE1 no hydrogen 2.857 N/A ARG 110.A NH1 GLU 72.A OE2 no hydrogen 3.078 N/A ARG 110.A NH2 GLU 72.A OE2 no hydrogen 2.753 N/A ARG 110.A NH2 GLU 106.A OE2 no hydrogen 3.194 N/A ILE 111.A N LEU 107.A O no hydrogen 3.021 N/A GLY 112.A N ALA 108.A O no hydrogen 2.944 N/A MET 116.A N GLY 112.A O no hydrogen 2.953 N/A GLN 117.A N LEU 113.A O no hydrogen 2.923 N/A GLN 117.A NE2 GLN 117.A O no hydrogen 2.894 N/A GLN 117.A NE2 ALA 128.A O no hydrogen 2.813 N/A LYS 118.A N ASP 114.A O no hydrogen 3.021 N/A LYS 118.A NZ ASP 114.A OD1.B no hydrogen 2.917 N/A LYS 118.A NZ ASP 114.A OD2.B no hydrogen 3.315 N/A GLU 119.A N LEU 115.A O no hydrogen 2.869 N/A VAL 120.A N MET 116.A O no hydrogen 2.851 N/A LYS 121.A N GLN 117.A O no hydrogen 3.027 N/A LYS 121.A NZ ALA 128.A O no hydrogen 3.347 N/A ARG 122.A N LYS 118.A O no hydrogen 2.870 N/A ARG 122.A NE GLU 119.A OE1 no hydrogen 2.842 N/A ARG 122.A NH1 PRO 163.A O no hydrogen 2.911 N/A ARG 122.A NH2 GLU 119.A OE2 no hydrogen 3.046 N/A ARG 122.A NH2 PRO 163.A O no hydrogen 3.333 N/A ILE 123.A N GLU 119.A O no hydrogen 2.940 N/A GLY 124.A N VAL 120.A O no hydrogen 2.898 N/A PHE 125.A N VAL 120.A O no hydrogen 3.334 N/A ASN 127.A N LYS 144.A O no hydrogen 2.856 N/A ASN 127.A ND2 PRO 142.A O no hydrogen 3.023 N/A ALA 128.A N PHE 125.A O no hydrogen 2.906 N/A GLU 129.A N ASN 127.A OD1 no hydrogen 3.178 N/A ILE 130.A N GLN 117.A OE1 no hydrogen 3.254 N/A GLY 131.A N GLU 129.A OE2 no hydrogen 3.000 N/A GLN 133.A NE2.B ASP 135.A OD1 no hydrogen 2.779 N/A LEU 139.A N ASN 136.A O no hydrogen 2.910 N/A VAL 140.A N ASN 136.A O no hydrogen 3.254 N/A LEU 143.A N PHE 137.A O no hydrogen 3.371 N/A LYS 144.A N ASN 127.A OD1 no hydrogen 3.147 N/A VAL 145.A N TYR 49.A O no hydrogen 2.825 N/A THR 146.A N GLN 149.A OE1 no hydrogen 2.934 N/A ILE 148.A N ALA 45.A O no hydrogen 3.130 N/A GLN 149.A N THR 146.A OG1 no hydrogen 2.908 N/A GLU 150.A N THR 146.A O no hydrogen 2.912 N/A VAL 151.A N PRO 147.A O no hydrogen 2.923 N/A GLU 152.A N ILE 148.A O no hydrogen 2.950 N/A PHE 153.A N GLN 149.A O no hydrogen 2.909 N/A VAL 154.A N GLU 150.A O no hydrogen 2.890 N/A SER 155.A N VAL 151.A O no hydrogen 2.953 N/A GLN 156.A N GLU 152.A O no hydrogen 3.053 N/A LEU 157.A N PHE 153.A O no hydrogen 2.955 N/A ALA 158.A N VAL 154.A O no hydrogen 2.903 N/A HIS 159.A N SER 155.A O no hydrogen 3.007 N/A HIS 159.A ND1 SER 155.A O no hydrogen 2.861 N/A THR 160.A N LEU 157.A O no hydrogen 2.968 N/A GLN 161.A N GLN 156.A O no hydrogen 2.779 N/A LEU 162.A N GLN 169.A OE1 no hydrogen 3.049 N/A PHE 164.A N LEU 162.A O no hydrogen 2.829 N/A SER 165.A N GLU 64.A OE2 no hydrogen 2.976 N/A SER 165.A OG GLU 64.A OE2 no hydrogen 3.517 N/A VAL 168.A N SER 165.A OG no hydrogen 3.225 N/A GLN 169.A N SER 165.A O no hydrogen 3.128 N/A GLN 169.A NE2 LEU 162.A O no hydrogen 2.943 N/A GLN 169.A NE2 PHE 164.A O no hydrogen 2.922 N/A GLN 169.A NE2 SER 165.A O no hydrogen 3.674 N/A ALA 170.A N GLU 166.A O no hydrogen 2.914 N/A ASN 171.A N LYS 167.A O no hydrogen 2.869 N/A VAL 172.A N VAL 168.A O no hydrogen 3.015 N/A LYS 173.A N GLN 169.A O no hydrogen 2.923 N/A LYS 173.A NZ.A GLU 208.A OE2.B no hydrogen 3.445 N/A LYS 173.A NZ.B GLU 208.A OE2.B no hydrogen 3.367 N/A ASN 174.A N ALA 170.A O no hydrogen 3.074 N/A MET 175.A N ASN 171.A O no hydrogen 3.343 N/A MET 175.A N VAL 172.A O no hydrogen 2.933 N/A LEU 176.A N LYS 173.A O no hydrogen 2.985 N/A LEU 178.A N ILE 186.A O no hydrogen 2.795 N/A GLU 179.A N ILE 186.A O no hydrogen 3.242 N/A SER 181.A N TYR 184.A O no hydrogen 2.989 N/A TYR 184.A N SER 181.A O no hydrogen 2.926 N/A LYS 185.A N GLU 208.A O no hydrogen 2.943 N/A LYS 185.A NZ GLU 208.A OE2.A no hydrogen 2.949 N/A ILE 186.A N GLU 179.A O no hydrogen 2.849 N/A PHE 187.A N TRP 206.A O no hydrogen 2.857 N/A GLY 188.A N LEU 176.A O no hydrogen 2.872 N/A LYS 189.A N THR 204.A O no hydrogen 2.795 N/A LYS 189.A NZ SER 99.A OG no hydrogen 2.941 N/A LYS 189.A NZ THR 190.A O no hydrogen 2.827 N/A GLY 191.A N TRP 202.A O no hydrogen 2.948 N/A TRP 192.A NE1 GLN 199.A OE1 no hydrogen 2.823 N/A ALA 193.A N VAL 200.A O no hydrogen 2.914 N/A LYS 197.A NZ ILE 196.A O no hydrogen 2.854 N/A GLN 199.A NE2 SER 225.A OG no hydrogen 3.056 N/A VAL 200.A N ALA 193.A O no hydrogen 3.445 N/A GLY 201.A N MET 221.A O no hydrogen 2.763 N/A TRP 202.A N GLY 191.A O no hydrogen 2.779 N/A TRP 202.A NE1 VAL 50.A O no hydrogen 2.873 N/A LEU 203.A N LEU 219.A O no hydrogen 2.958 N/A THR 204.A N LYS 189.A O no hydrogen 3.055 N/A THR 204.A OG1 GLU 150.A OE1 no hydrogen 2.812 N/A GLY 205.A N PHE 217.A O no hydrogen 2.916 N/A TRP 206.A N PHE 187.A O no hydrogen 2.913 N/A TRP 206.A NE1 GLU 208.A OE2.B no hydrogen 2.944 N/A VAL 207.A N VAL 215.A O no hydrogen 2.813 N/A GLU 208.A N LYS 185.A O no hydrogen 2.843 N/A GLN 209.A N LYS 213.A O no hydrogen 2.867 N/A GLN 209.A NE2 ILE 245.A O no hydrogen 2.913 N/A GLY 212.A N GLN 209.A O no hydrogen 2.800 N/A LYS 213.A N ASP 211.A OD1 no hydrogen 3.076 N/A LYS 213.A NZ ASP 32.A OD2 no hydrogen 2.685 N/A VAL 215.A N VAL 207.A O no hydrogen 2.896 N/A ALA 216.A N GLN 30.A O no hydrogen 2.804 N/A PHE 217.A N GLY 205.A O no hydrogen 2.823 N/A ALA 218.A N VAL 28.A O no hydrogen 2.833 N/A LEU 219.A N LEU 203.A O no hydrogen 2.816 N/A ASN 220.A N VAL 26.A O no hydrogen 2.943 N/A MET 221.A N GLY 201.A O no hydrogen 2.896 N/A GLU 222.A N SER 24.A O no hydrogen 2.911 N/A MET 223.A N GLN 199.A O no hydrogen 3.186 N/A ARG 224.A NE GLU 226.A OE2 no hydrogen 2.805 N/A ARG 224.A NH1 ASN 22.A O no hydrogen 2.791 N/A ARG 224.A NH2 LYS 21.A O no hydrogen 3.234 N/A ARG 224.A NH2 ASN 22.A O no hydrogen 3.099 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.886 N/A MET 227.A N ARG 224.A O no hydrogen 3.020 N/A ILE 231.A N PRO 228.A O no hydrogen 3.004 N/A ARG 232.A N ALA 229.A O no hydrogen 3.309 N/A ARG 232.A NE ALA 229.A O no hydrogen 2.896 N/A ARG 232.A NH1 GLY 191.A O no hydrogen 2.886 N/A ARG 232.A NH2 ALA 229.A O no hydrogen 3.518 N/A GLU 234.A N SER 230.A O no hydrogen 2.841 N/A LEU 235.A N ILE 231.A O no hydrogen 2.994 N/A LEU 236.A N ARG 232.A O no hydrogen 2.991 N/A MET 237.A N ASN 233.A O no hydrogen 2.894 N/A LYS 238.A N GLU 234.A O no hydrogen 3.058 N/A LYS 238.A NZ GLU 234.A OE2 no hydrogen 3.127 N/A SER 239.A N LEU 235.A O no hydrogen 3.072 N/A SER 239.A OG LEU 235.A O no hydrogen 2.749 N/A LEU 240.A N LEU 236.A O no hydrogen 2.848 N/A LYS 241.A N MET 237.A O no hydrogen 3.045 N/A LYS 241.A NZ ILE 246.A OXT no hydrogen 3.027 N/A GLN 242.A N LYS 238.A O no hydrogen 2.995 N/A LEU 243.A N SER 239.A O no hydrogen 2.933 N/A ASN 244.A N LYS 241.A O no hydrogen 2.976 N/A ILE 245.A N LEU 240.A O no hydrogen 2.974 N/A