Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3smv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N ASP 5.A OD2.B no hydrogen 2.787 N/A THR 4.A OG1.B ASP 5.A OD2.A no hydrogen 3.393 N/A ASP 5.A N.A GLN 2.A O no hydrogen 3.275 N/A ASP 5.A N.B GLN 2.A O no hydrogen 2.652 N/A PHE 6.A N.A LEU 3.A O.A no hydrogen 3.235 N/A PHE 6.A N.A LEU 3.A O.B no hydrogen 3.332 N/A PHE 6.A N.B LEU 3.A O.A no hydrogen 3.365 N/A PHE 6.A N.B LEU 3.A O.B no hydrogen 3.467 N/A LYS 7.A N ASP 174.A O no hydrogen 2.835 N/A LYS 7.A NZ.A ASP 174.A OD2 no hydrogen 2.721 N/A ALA 8.A N ASP 174.A O no hydrogen 3.114 N/A LEU 9.A N LYS 116.A O no hydrogen 2.896 N/A THR 10.A N LEU 176.A O no hydrogen 3.058 N/A THR 10.A OG1 HIS 177.A ND1 no hydrogen 2.812 N/A PHE 11.A N VAL 118.A O no hydrogen 2.747 N/A ASP 12.A N THR 178.A O no hydrogen 3.111 N/A TYR 14.A OH SER 131.A OG no hydrogen 2.712 N/A GLY 15.A N ILE 18.A O no hydrogen 2.811 N/A THR 16.A N CYS 13.A O no hydrogen 3.108 N/A THR 16.A OG1 ASP 12.A OD2 no hydrogen 2.703 N/A LEU 17.A N CYS 13.A O no hydrogen 2.788 N/A ILE 18.A N CYS 13.A O no hydrogen 2.991 N/A ASP 19.A N PRO 99.A O no hydrogen 2.766 N/A THR 22.A N ASP 19.A OD1 no hydrogen 3.159 N/A THR 22.A OG1 ASP 19.A OD2 no hydrogen 2.644 N/A GLY 23.A N ASP 19.A O no hydrogen 3.062 N/A ILE 24.A N TRP 20.A O no hydrogen 2.792 N/A VAL 25.A N GLU 21.A O no hydrogen 2.938 N/A ASN 26.A N THR 22.A O no hydrogen 2.874 N/A ALA 27.A N GLY 23.A O no hydrogen 2.858 N/A LEU 28.A N ILE 24.A O no hydrogen 2.929 N/A GLN 29.A N ASN 26.A O no hydrogen 3.109 N/A ALA 32.A N LEU 28.A O no hydrogen 2.855 N/A LYS 33.A N GLN 29.A O no hydrogen 2.790 N/A ARG 34.A N PRO 30.A O no hydrogen 3.224 N/A ARG 34.A NE GLU 87.A OE1 no hydrogen 3.386 N/A ARG 34.A NE GLU 87.A OE2 no hydrogen 2.855 N/A ARG 34.A NH1 GLU 82.A O no hydrogen 2.887 N/A ARG 34.A NH1 GLU 87.A OE1 no hydrogen 2.937 N/A ARG 34.A NH2 GLU 82.A O no hydrogen 3.215 N/A THR 35.A N LEU 31.A O no hydrogen 3.313 N/A THR 35.A N ALA 32.A O no hydrogen 3.113 N/A THR 35.A OG1 ALA 32.A O no hydrogen 2.656 N/A GLY 36.A N LYS 33.A O no hydrogen 3.049 N/A LYS 37.A N THR 35.A OG1 no hydrogen 2.915 N/A THR 40.A N GLU 43.A OE1 no hydrogen 2.966 N/A GLU 43.A N THR 40.A OG1 no hydrogen 3.036 N/A LEU 44.A N THR 40.A O no hydrogen 3.016 N/A LEU 45.A N SER 41.A O no hydrogen 2.911 N/A GLU 46.A N ASP 42.A O no hydrogen 2.913 N/A VAL 47.A N GLU 43.A O no hydrogen 3.063 N/A PHE 48.A N LEU 44.A O no hydrogen 2.911 N/A GLY 49.A N LEU 45.A O no hydrogen 2.884 N/A ARG 50.A N GLU 46.A O no hydrogen 3.039 N/A ARG 50.A NE GLU 46.A OE1 no hydrogen 2.774 N/A ARG 50.A NH1 GLU 78.A OE1 no hydrogen 2.820 N/A ARG 50.A NH1 GLU 78.A OE2 no hydrogen 3.544 N/A ARG 50.A NH2 GLU 46.A OE2 no hydrogen 2.994 N/A ARG 50.A NH2 GLU 78.A OE2 no hydrogen 2.847 N/A ASN 51.A N VAL 47.A O no hydrogen 3.152 N/A ASN 51.A ND2 VAL 47.A O no hydrogen 2.868 N/A ASN 51.A ND2 GLU 78.A OE1 no hydrogen 2.972 N/A GLU 52.A N PHE 48.A O no hydrogen 2.879 N/A GLU 52.A N GLY 49.A O no hydrogen 3.341 N/A SER 53.A N GLY 49.A O no hydrogen 3.214 N/A GLN 55.A N GLU 52.A O no hydrogen 2.852 N/A GLN 55.A NE2 ASN 51.A O no hydrogen 3.252 N/A GLN 56.A N SER 53.A O no hydrogen 3.138 N/A GLN 56.A NE2 GLU 52.A OE1 no hydrogen 3.222 N/A THR 57.A OG1 THR 59.A O no hydrogen 2.664 N/A TYR 64.A N ASP 124.A OD1 no hydrogen 2.799 N/A ASP 66.A N LEU 63.A O no hydrogen 3.017 N/A LEU 68.A N TYR 64.A O no hydrogen 3.182 N/A ARG 69.A N GLN 65.A O no hydrogen 2.842 N/A ARG 69.A NH1 GLU 89.A OE1 no hydrogen 3.080 N/A ALA 70.A N ASP 66.A O no hydrogen 3.114 N/A VAL 71.A N ILE 67.A O no hydrogen 2.913 N/A TYR 72.A N LEU 68.A O no hydrogen 2.872 N/A TYR 72.A OH GLU 87.A OE1 no hydrogen 2.614 N/A ASP 73.A N ARG 69.A O no hydrogen 3.137 N/A ARG 74.A N ALA 70.A O no hydrogen 3.109 N/A ARG 74.A NE ASN 51.A OD1 no hydrogen 3.013 N/A ARG 74.A NH1 ASN 51.A OD1 no hydrogen 3.299 N/A ILE 75.A N VAL 71.A O no hydrogen 2.874 N/A ALA 76.A N TYR 72.A O no hydrogen 2.887 N/A LYS 77.A N ASP 73.A O no hydrogen 3.126 N/A GLU 78.A N ARG 74.A O no hydrogen 2.908 N/A TRP 79.A N ILE 75.A O no hydrogen 2.927 N/A GLY 80.A N LYS 77.A O no hydrogen 3.005 N/A LEU 81.A N ALA 76.A O no hydrogen 2.935 N/A ASP 84.A N TYR 72.A OH no hydrogen 2.920 N/A GLU 87.A N ASP 84.A OD2 no hydrogen 2.914 N/A ARG 88.A N ASP 84.A O no hydrogen 2.867 N/A ARG 88.A NE.A ASP 73.A OD1 no hydrogen 2.780 N/A ARG 88.A NH1.B ASP 73.A OD1 no hydrogen 2.955 N/A ARG 88.A NH2.A ASP 73.A OD1 no hydrogen 3.064 N/A GLU 89.A N ALA 85.A O no hydrogen 2.927 N/A GLU 90.A N ALA 86.A O no hydrogen 3.061 N/A PHE 91.A N GLU 87.A O no hydrogen 2.873 N/A GLY 92.A N ARG 88.A O no hydrogen 2.858 N/A THR 93.A N GLU 89.A O no hydrogen 3.164 N/A THR 93.A OG1 GLU 89.A O no hydrogen 3.069 N/A THR 93.A OG1 GLU 90.A O no hydrogen 3.334 N/A SER 94.A N PHE 91.A O no hydrogen 3.126 N/A SER 94.A OG PHE 91.A O no hydrogen 2.907 N/A ASN 97.A N SER 94.A O no hydrogen 2.770 N/A TRP 98.A N VAL 95.A O no hydrogen 2.933 N/A TRP 98.A NE1 SER 94.A OG no hydrogen 3.206 N/A PHE 101.A N LEU 17.A O no hydrogen 3.237 N/A THR 104.A N PHE 101.A O no hydrogen 3.063 N/A THR 104.A OG1 LEU 17.A O no hydrogen 2.863 N/A THR 104.A OG1 PHE 101.A O no hydrogen 3.506 N/A ALA 107.A N ASP 103.A O no hydrogen 3.230 N/A LEU 108.A N THR 104.A O no hydrogen 2.843 N/A GLN 109.A N VAL 105.A O no hydrogen 2.878 N/A GLN 109.A NE2 GLY 136.A O no hydrogen 3.082 N/A TYR 110.A N GLU 106.A O no hydrogen 3.116 N/A TYR 110.A OH HIS 227.A ND1 no hydrogen 2.699 N/A LEU 111.A N ALA 107.A O no hydrogen 2.915 N/A LYS 112.A N LEU 108.A O no hydrogen 2.797 N/A LYS 112.A NZ.A GLU 138.A O no hydrogen 2.839 N/A LYS 112.A NZ.A ASP 140.A OD2 no hydrogen 3.021 N/A LYS 112.A NZ.B GLU 138.A O no hydrogen 2.892 N/A LYS 113.A N TYR 110.A O no hydrogen 3.035 N/A HIS 114.A N LEU 111.A O no hydrogen 2.956 N/A TYR 115.A N LEU 111.A O no hydrogen 2.946 N/A TYR 115.A OH LEU 3.A O.A no hydrogen 2.763 N/A TYR 115.A OH LEU 3.A O.B no hydrogen 2.606 N/A LYS 116.A N LYS 7.A O no hydrogen 2.918 N/A LEU 117.A N ASP 140.A OD2 no hydrogen 2.893 N/A VAL 118.A N LEU 9.A O no hydrogen 2.925 N/A ILE 119.A N HIS 141.A O no hydrogen 2.918 N/A LEU 120.A N PHE 11.A O no hydrogen 2.877 N/A SER 121.A N ILE 143.A O no hydrogen 2.960 N/A SER 121.A OG ILE 123.A O no hydrogen 2.741 N/A ASN 122.A ND2 LYS 152.A O no hydrogen 3.032 N/A ILE 123.A N SER 121.A OG no hydrogen 3.013 N/A ARG 125.A NH1 ILE 142.A O no hydrogen 2.925 N/A ARG 125.A NH1 ASP 147.A OD1 no hydrogen 3.506 N/A ARG 125.A NH1 ASP 147.A OD2 no hydrogen 2.738 N/A ARG 125.A NH2 ASP 147.A OD1 no hydrogen 2.980 N/A GLU 127.A N ASP 124.A OD2 no hydrogen 3.106 N/A PHE 128.A N ASP 124.A O no hydrogen 2.931 N/A LYS 129.A N ARG 125.A O no hydrogen 2.865 N/A LEU 130.A N ASN 126.A O no hydrogen 3.350 N/A SER 131.A N GLU 127.A O no hydrogen 3.063 N/A SER 131.A OG TYR 14.A OH no hydrogen 2.712 N/A ASN 132.A N PHE 128.A O no hydrogen 2.687 N/A ASN 132.A ND2 ASN 132.A O no hydrogen 2.803 N/A ASN 132.A ND2 VAL 137.A O no hydrogen 2.878 N/A ALA 133.A N LYS 129.A O no hydrogen 3.259 N/A LYS 134.A N SER 131.A O no hydrogen 2.949 N/A LYS 134.A NZ LYS 96.A O no hydrogen 2.812 N/A LYS 134.A NZ TRP 98.A O no hydrogen 2.840 N/A LEU 135.A N ASN 132.A O no hydrogen 2.975 N/A ASP 140.A N LEU 117.A O no hydrogen 2.798 N/A HIS 141.A N LEU 117.A O no hydrogen 3.435 N/A ILE 143.A N ILE 119.A O no hydrogen 2.840 N/A THR 144.A N ASP 147.A OD2 no hydrogen 2.975 N/A THR 144.A OG1 GLN 146.A OE1 no hydrogen 3.479 N/A ALA 145.A N SER 121.A O no hydrogen 2.952 N/A GLN 146.A NE2 GLY 61.A O no hydrogen 2.917 N/A ASP 147.A N THR 144.A OG1 no hydrogen 3.289 N/A VAL 148.A N THR 144.A O no hydrogen 3.201 N/A GLY 149.A N ALA 145.A O no hydrogen 2.846 N/A SER 150.A OG ASN 157.A OD1 no hydrogen 2.750 N/A LYS 152.A N ASN 122.A OD1 no hydrogen 2.942 N/A LYS 152.A NZ ASP 12.A OD1 no hydrogen 2.785 N/A LYS 152.A NZ LEU 120.A O no hydrogen 2.890 N/A LYS 152.A NZ ASP 185.A OD1 no hydrogen 2.728 N/A LYS 152.A NZ ASP 185.A OD2 no hydrogen 3.082 N/A ASN 154.A N TYR 151.A O no hydrogen 2.926 N/A ASN 156.A N ASN 154.A OD1 no hydrogen 2.835 N/A ASN 157.A N ASN 154.A O no hydrogen 3.080 N/A ASN 157.A ND2 SER 150.A O no hydrogen 2.873 N/A THR 159.A N PRO 155.A O no hydrogen 2.961 N/A THR 159.A OG1.A PRO 155.A O no hydrogen 3.192 N/A THR 159.A OG1.B PRO 155.A O no hydrogen 3.518 N/A THR 159.A OG1.B ASN 156.A O no hydrogen 3.144 N/A TYR 160.A N ASN 156.A O no hydrogen 2.893 N/A MET 161.A N ASN 157.A O no hydrogen 3.212 N/A ILE 162.A N PHE 158.A O no hydrogen 2.819 N/A ASP 163.A N THR 159.A O no hydrogen 2.865 N/A ALA 164.A N TYR 160.A O no hydrogen 2.914 N/A LEU 165.A N MET 161.A O no hydrogen 2.918 N/A ALA 166.A N ILE 162.A O no hydrogen 2.876 N/A LYS 167.A N ASP 163.A O no hydrogen 3.075 N/A LYS 167.A NZ ASP 163.A OD2.B no hydrogen 3.353 N/A ALA 168.A N ALA 164.A O no hydrogen 3.154 N/A GLY 169.A N ALA 166.A O no hydrogen 3.019 N/A ILE 170.A N LEU 165.A O no hydrogen 2.878 N/A LYS 172.A NZ.A GLY 193.A O no hydrogen 2.774 N/A LYS 172.A NZ.B ALA 192.A O no hydrogen 3.047 N/A LYS 173.A NZ.B GLU 171.A OE1 no hydrogen 2.884 N/A ASP 174.A N GLU 171.A O no hydrogen 2.930 N/A ILE 175.A N LYS 172.A O no hydrogen 3.161 N/A LEU 176.A N ALA 8.A O no hydrogen 2.899 N/A HIS 177.A N VAL 195.A O no hydrogen 2.845 N/A HIS 177.A ND1 THR 10.A OG1 no hydrogen 2.812 N/A HIS 177.A NE2 ASP 185.A OD1 no hydrogen 2.770 N/A THR 178.A N THR 10.A O no hydrogen 2.759 N/A THR 178.A OG1 LEU 176.A O no hydrogen 3.215 N/A ALA 179.A N ALA 197.A O no hydrogen 3.120 N/A GLU 180.A N THR 16.A OG1 no hydrogen 2.883 N/A SER 181.A OG HIS 184.A ND1 no hydrogen 2.778 N/A HIS 184.A N SER 181.A OG no hydrogen 2.988 N/A HIS 184.A ND1 SER 181.A OG no hydrogen 2.778 N/A ASP 185.A N SER 181.A O no hydrogen 3.023 N/A HIS 186.A N SER 181.A O no hydrogen 3.167 N/A HIS 186.A ND1 SER 196.A OG no hydrogen 2.789 N/A HIS 186.A NE2 ALA 179.A O no hydrogen 2.762 N/A ILE 187.A N LEU 182.A O no hydrogen 2.942 N/A ALA 189.A N ASP 185.A O no hydrogen 2.865 N/A ASN 190.A N HIS 186.A O no hydrogen 2.867 N/A ASN 190.A ND2 ASN 212.A O no hydrogen 2.884 N/A ASP 191.A N ILE 187.A O no hydrogen 3.064 N/A ALA 192.A N PRO 188.A O no hydrogen 2.844 N/A ALA 192.A N ALA 189.A O no hydrogen 3.157 N/A GLY 193.A N ASN 190.A O no hydrogen 3.099 N/A LEU 194.A N ALA 189.A O no hydrogen 2.961 N/A SER 196.A N ASP 214.A OD2.A no hydrogen 2.835 N/A SER 196.A OG HIS 186.A ND1 no hydrogen 2.789 N/A ALA 197.A N HIS 177.A O no hydrogen 2.783 N/A TRP 198.A N PHE 215.A O no hydrogen 2.839 N/A TRP 198.A NE1 GLU 180.A O no hydrogen 2.803 N/A ILE 199.A N ALA 179.A O no hydrogen 2.990 N/A TYR 200.A N PHE 217.A O no hydrogen 2.867 N/A ARG 201.A N ASN 218.A O no hydrogen 3.050 N/A ARG 201.A NE THR 16.A O no hydrogen 3.174 N/A ARG 201.A NH1 ASP 103.A OD1 no hydrogen 2.804 N/A ARG 201.A NH1 ASP 103.A OD2 no hydrogen 3.401 N/A ARG 201.A NH2 THR 16.A O no hydrogen 2.884 N/A ARG 201.A NH2 ASP 103.A OD1 no hydrogen 3.564 N/A ARG 201.A NH2 ASP 103.A OD2 no hydrogen 3.124 N/A ARG 202.A NH1 ASP 19.A OD1 no hydrogen 2.948 N/A ARG 202.A NH1 ASP 19.A OD2 no hydrogen 3.487 N/A ARG 202.A NH1 GLU 21.A OE1 no hydrogen 3.174 N/A ARG 202.A NH2 ASP 19.A OD2 no hydrogen 2.809 N/A HIS 203.A N TYR 200.A O no hydrogen 2.954 N/A HIS 205.A N HIS 205.A ND1 no hydrogen 2.741 N/A ARG 209.A NH1 ASN 190.A OD1 no hydrogen 2.984 N/A ASN 212.A N ASN 190.A OD1 no hydrogen 2.847 N/A ASN 212.A ND2 ASP 214.A OD1.A no hydrogen 3.533 N/A ASN 212.A ND2 ASP 214.A OD2.B no hydrogen 3.096 N/A ASP 214.A N SER 196.A O no hydrogen 3.044 N/A PHE 215.A N SER 196.A O no hydrogen 3.130 N/A PHE 217.A N TRP 198.A O no hydrogen 2.932 N/A ASN 218.A N GLU 222.A OE1.A no hydrogen 2.932 N/A ASN 218.A N GLU 222.A OE1.B no hydrogen 2.806 N/A SER 219.A OG ASN 218.A OD1.B no hydrogen 2.887 N/A GLY 221.A N ASP 103.A OD2 no hydrogen 3.021 N/A GLU 222.A N SER 219.A OG no hydrogen 3.077 N/A MET 223.A N SER 219.A O no hydrogen 3.259 N/A ALA 224.A N MET 220.A O no hydrogen 2.930 N/A GLU 225.A N GLY 221.A O no hydrogen 2.928 N/A ALA 226.A N GLU 222.A O no hydrogen 2.886 N/A HIS 227.A N MET 223.A O no hydrogen 3.056 N/A HIS 227.A ND1 TYR 110.A OH no hydrogen 2.699 N/A LYS 228.A N ALA 224.A O no hydrogen 3.014 N/A GLN 229.A N GLU 225.A O no hydrogen 2.881 N/A GLN 229.A NE2 GLU 225.A OE2 no hydrogen 2.878 N/A ALA 230.A N ALA 226.A O no hydrogen 2.909 N/A LEU 231.A N HIS 227.A O no hydrogen 3.048 N/A LYS 232.A N LYS 228.A O no hydrogen 3.264 N/A LYS 232.A N GLN 229.A O no hydrogen 3.029 N/A GLY 233.A N ALA 230.A O no hydrogen 3.243 N/A