Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ir4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 PRO 26.A O no hydrogen 2.931 N/A ALA 3.A N ASP 53.A OD1 no hydrogen 2.816 N/A LEU 5.A N.A GLU 28.A O no hydrogen 2.917 N/A LEU 5.A N.B GLU 28.A O no hydrogen 2.893 N/A TYR 6.A N ILE 49.A O no hydrogen 2.879 N/A ILE 7.A N ASN 30.A O no hydrogen 2.983 N/A ASP 9.A N.A GLU 110.A OE1 no hydrogen 2.864 N/A ASP 9.A N.B GLU 110.A OE1 no hydrogen 2.891 N/A HIS 10.A N GLU 110.A OE2 no hydrogen 2.896 N/A HIS 10.A ND1 GLU 110.A OE2 no hydrogen 2.641 N/A CYS 11.A N TYR 8.A O no hydrogen 3.179 N/A VAL 15.A N CYS 11.A O no hydrogen 3.111 N/A LYS 16.A N PRO 12.A O no hydrogen 2.945 N/A LYS 16.A NZ HIS 172.A ND1 no hydrogen 2.852 N/A ALA 17.A N PHE 13.A O no hydrogen 3.170 N/A ARG 18.A N.A CYS 14.A O no hydrogen 3.057 N/A ARG 18.A N.A VAL 15.A O no hydrogen 3.055 N/A ARG 18.A N.B CYS 14.A O no hydrogen 3.038 N/A ARG 18.A N.B VAL 15.A O no hydrogen 3.055 N/A GLY 21.A N ARG 18.A O.A no hydrogen 3.376 N/A GLY 21.A N ARG 18.A O.B no hydrogen 3.369 N/A LYS 23.A N ILE 19.A O no hydrogen 2.964 N/A LYS 23.A NZ ASP 68.A O no hydrogen 2.732 N/A LYS 23.A NZ ASP 71.A OD1 no hydrogen 3.249 N/A LYS 23.A NZ ASP 71.A OD2 no hydrogen 2.777 N/A LYS 23.A NZ LYS 73.A O no hydrogen 3.105 N/A ASN 24.A N GLY 21.A O no hydrogen 3.226 N/A ILE 25.A N PHE 20.A O no hydrogen 2.919 N/A ASN 30.A N LEU 5.A O.A no hydrogen 2.877 N/A ASN 30.A N LEU 5.A O.B no hydrogen 2.750 N/A ASN 30.A ND2 LEU 5.A O.B no hydrogen 3.622 N/A ASN 30.A ND2 GLU 28.A O no hydrogen 3.217 N/A ASN 30.A ND2 GLU 28.A OE2 no hydrogen 2.939 N/A LEU 32.A N ILE 7.A O no hydrogen 2.967 N/A GLN 33.A NE2 THR 113.A OG1 no hydrogen 3.317 N/A ASN 34.A N GLU 110.A O no hydrogen 2.831 N/A ASP 36.A N GLN 33.A O no hydrogen 2.996 N/A THR 39.A N ASP 36.A OD1 no hydrogen 2.919 N/A THR 39.A OG1 ASP 36.A OD1 no hydrogen 3.309 N/A THR 39.A OG1 ASP 36.A OD2 no hydrogen 2.629 N/A THR 41.A N GLU 37.A O no hydrogen 3.155 N/A THR 41.A OG1 GLU 37.A O no hydrogen 2.716 N/A ARG 42.A N.A ALA 38.A O no hydrogen 2.956 N/A ARG 42.A N.B ALA 38.A O no hydrogen 2.933 N/A GLY 44.A N THR 41.A O no hydrogen 2.813 N/A LYS 46.A NZ TYR 8.A OH no hydrogen 2.838 N/A LYS 46.A NZ ASN 34.A O no hydrogen 2.775 N/A ILE 49.A N TYR 6.A O no hydrogen 3.098 N/A LEU 50.A N LEU 58.A O no hydrogen 2.905 N/A GLN 51.A N LYS 4.A O no hydrogen 2.781 N/A GLN 51.A NE2.A SER 55.A O.A no hydrogen 3.124 N/A GLN 51.A NE2.A SER 55.A O.B no hydrogen 3.347 N/A GLN 51.A NE2.B SER 55.A O.A no hydrogen 2.796 N/A GLN 51.A NE2.B SER 55.A O.B no hydrogen 3.020 N/A LYS 52.A N.A ARG 56.A O.A no hydrogen 2.860 N/A LYS 52.A N.A ARG 56.A O.B no hydrogen 2.859 N/A LYS 52.A N.B ARG 56.A O.A no hydrogen 2.866 N/A LYS 52.A N.B ARG 56.A O.B no hydrogen 2.865 N/A SER 55.A N.A LYS 52.A O.A no hydrogen 2.930 N/A SER 55.A N.A LYS 52.A O.B no hydrogen 2.839 N/A SER 55.A N.B LYS 52.A O.A no hydrogen 2.930 N/A SER 55.A N.B LYS 52.A O.B no hydrogen 2.838 N/A SER 55.A OG.A ASP 54.A O no hydrogen 2.593 N/A ARG 56.A N.A ASP 54.A OD1 no hydrogen 3.009 N/A ARG 56.A N.B ASP 54.A OD1 no hydrogen 2.916 N/A ARG 56.A NE.B ASP 54.A OD1 no hydrogen 3.519 N/A ARG 56.A NH2.A ASP 54.A OD2 no hydrogen 3.044 N/A LEU 58.A N LEU 50.A O no hydrogen 2.771 N/A ILE 63.A N GLU 60.A O no hydrogen 2.957 N/A VAL 64.A N SER 61.A O no hydrogen 2.892 N/A HIS 65.A NE2 GLU 168.A OE2 no hydrogen 2.712 N/A TYR 66.A N.A ASP 62.A O no hydrogen 2.968 N/A TYR 66.A N.B ASP 62.A O no hydrogen 2.960 N/A VAL 67.A N ILE 63.A O no hydrogen 2.981 N/A ASP 68.A N VAL 64.A O no hydrogen 2.948 N/A ASN 69.A N HIS 65.A O no hydrogen 2.941 N/A ASN 69.A N TYR 66.A O.A no hydrogen 3.212 N/A LEU 70.A N.A VAL 67.A O no hydrogen 3.377 N/A LEU 70.A N.B TYR 66.A O.A no hydrogen 2.929 N/A LEU 70.A N.B TYR 66.A O.B no hydrogen 3.014 N/A LEU 70.A N.B VAL 67.A O no hydrogen 3.422 N/A GLY 72.A N ASN 69.A O no hydrogen 3.051 N/A LYS 73.A N ASP 71.A OD2 no hydrogen 2.892 N/A LEU 75.A N ASP 68.A OD1 no hydrogen 2.787 N/A LEU 76.A N ASP 68.A OD2 no hydrogen 3.008 N/A THR 77.A N LEU 166.A O no hydrogen 3.099 N/A THR 77.A OG1 GLU 165.A OE1.A no hydrogen 3.186 N/A GLY 78.A N LEU 166.A O no hydrogen 2.826 N/A ARG 80.A NE ASP 169.A OD1 no hydrogen 2.987 N/A ASN 81.A N ASP 169.A OD2 no hydrogen 2.819 N/A ALA 83.A N ASN 81.A OD1 no hydrogen 2.928 N/A ILE 84.A N ASN 81.A O no hydrogen 2.867 N/A GLU 85.A N ASN 81.A O no hydrogen 3.404 N/A GLU 86.A N PRO 82.A O no hydrogen 3.030 N/A TRP 87.A N ALA 83.A O no hydrogen 2.927 N/A TRP 87.A NE1 ASP 148.A O no hydrogen 2.882 N/A LEU 88.A N ILE 84.A O no hydrogen 2.890 N/A ARG 89.A N.A GLU 85.A O no hydrogen 2.969 N/A ARG 89.A N.B GLU 85.A O no hydrogen 2.990 N/A LYS 90.A N GLU 86.A O no hydrogen 3.053 N/A VAL 91.A N TRP 87.A O no hydrogen 2.923 N/A ASN 92.A N LEU 88.A O no hydrogen 2.802 N/A ASN 92.A ND2 LEU 88.A O no hydrogen 3.247 N/A GLY 93.A N ARG 89.A O.A no hydrogen 3.133 N/A GLY 93.A N LYS 90.A O no hydrogen 3.142 N/A TYR 94.A N VAL 91.A O no hydrogen 3.029 N/A TYR 94.A OH ASP 148.A OD2 no hydrogen 2.641 N/A VAL 95.A N VAL 91.A O no hydrogen 2.905 N/A GLN 97.A N TYR 94.A O no hydrogen 3.054 N/A LEU 98.A N VAL 95.A O no hydrogen 2.923 N/A LEU 99.A N VAL 95.A O no hydrogen 3.002 N/A LEU 100.A N ASN 96.A O no hydrogen 2.974 N/A ARG 102.A NE ILE 211.A O no hydrogen 2.860 N/A ARG 102.A NH1 LEU 98.A O no hydrogen 2.919 N/A ARG 102.A NH2 SER 138.A OG no hydrogen 2.831 N/A PHE 103.A N LEU 99.A O no hydrogen 2.794 N/A ALA 104.A N LEU 100.A O no hydrogen 3.046 N/A LYS 105.A N ARG 102.A O no hydrogen 3.070 N/A SER 106.A N PHE 103.A O no hydrogen 3.092 N/A SER 106.A OG ARG 102.A O no hydrogen 2.735 N/A PHE 108.A N.A SER 106.A O no hydrogen 2.983 N/A PHE 108.A N.B SER 106.A O no hydrogen 3.074 N/A GLU 110.A N GLU 110.A OE1 no hydrogen 2.795 N/A PHE 111.A N PHE 108.A O.A no hydrogen 3.016 N/A PHE 111.A N PHE 108.A O.B no hydrogen 2.870 N/A SER 112.A N ASP 109.A O no hydrogen 3.077 N/A SER 112.A OG GLN 33.A OE1 no hydrogen 3.142 N/A SER 112.A OG ASP 109.A O no hydrogen 3.096 N/A ALA 116.A N THR 113.A OG1 no hydrogen 3.038 N/A ARG 117.A N THR 113.A O no hydrogen 3.107 N/A ARG 117.A NH1 ALA 104.A O no hydrogen 2.831 N/A ARG 117.A NH1 SER 106.A O no hydrogen 2.866 N/A ARG 117.A NH2 SER 106.A O no hydrogen 3.074 N/A GLN 118.A N PRO 114.A O no hydrogen 2.975 N/A TYR 119.A N ALA 115.A O no hydrogen 2.974 N/A PHE 120.A N ALA 116.A O no hydrogen 3.191 N/A ILE 121.A N ARG 117.A O no hydrogen 3.070 N/A ARG 122.A N GLN 118.A O no hydrogen 2.914 N/A LYS 123.A N TYR 119.A O no hydrogen 3.107 N/A LYS 123.A NZ TYR 119.A OH no hydrogen 3.055 N/A LYS 124.A N PHE 120.A O no hydrogen 3.007 N/A GLU 125.A N ILE 121.A O no hydrogen 2.901 N/A ALA 126.A N ARG 122.A O no hydrogen 3.110 N/A SER 127.A N.A LYS 124.A O no hydrogen 3.029 N/A SER 127.A N.B LYS 124.A O no hydrogen 3.046 N/A SER 127.A OG.B LYS 123.A O no hydrogen 3.301 N/A SER 127.A OG.B LYS 124.A O no hydrogen 3.046 N/A SER 128.A N LYS 124.A O no hydrogen 2.905 N/A SER 128.A OG LYS 124.A O no hydrogen 3.456 N/A PHE 131.A N GLU 125.A OE2 no hydrogen 2.823 N/A ASN 133.A N SER 130.A OG no hydrogen 3.024 N/A HIS 134.A N SER 130.A O no hydrogen 3.026 N/A LEU 135.A N PHE 131.A O no hydrogen 2.840 N/A ALA 136.A N ASP 132.A O no hydrogen 2.969 N/A HIS 137.A N ASN 133.A O no hydrogen 3.197 N/A HIS 137.A N HIS 134.A O no hydrogen 3.068 N/A HIS 137.A ND1 ASN 133.A O no hydrogen 2.777 N/A SER 138.A N LEU 135.A O no hydrogen 3.099 N/A SER 138.A OG LEU 135.A O no hydrogen 2.669 N/A LEU 141.A N HIS 137.A O no hydrogen 3.171 N/A ILE 142.A N SER 138.A O no hydrogen 2.773 N/A LYS 143.A N ALA 139.A O no hydrogen 3.056 N/A LYS 144.A N.A GLY 140.A O no hydrogen 2.976 N/A LYS 144.A N.B GLY 140.A O no hydrogen 2.958 N/A ILE 145.A N.A LEU 141.A O no hydrogen 2.956 N/A ILE 145.A N.B LEU 141.A O no hydrogen 2.979 N/A GLY 146.A N ILE 142.A O no hydrogen 2.940 N/A ASP 147.A N LYS 143.A O no hydrogen 2.938 N/A ASP 148.A N LYS 144.A O.A no hydrogen 2.978 N/A ASP 148.A N LYS 144.A O.B no hydrogen 3.025 N/A LEU 149.A N ILE 145.A O.A no hydrogen 2.802 N/A LEU 149.A N ILE 145.A O.B no hydrogen 2.772 N/A ARG 150.A N.A GLY 146.A O no hydrogen 3.139 N/A ARG 150.A N.A ASP 147.A O no hydrogen 3.171 N/A ARG 150.A N.B GLY 146.A O no hydrogen 3.138 N/A ARG 150.A N.B ASP 147.A O no hydrogen 3.165 N/A ARG 150.A NH1.A ASP 147.A OD1 no hydrogen 2.942 N/A ARG 150.A NH1.B ASP 147.A OD1 no hydrogen 2.699 N/A ARG 150.A NH2.A ASP 147.A OD1 no hydrogen 2.770 N/A LEU 151.A N ASP 148.A O no hydrogen 3.198 N/A LEU 152.A N ASP 148.A O no hydrogen 3.155 N/A ASP 153.A N LEU 149.A O no hydrogen 2.908 N/A LYS 154.A N LEU 151.A O no hydrogen 2.951 N/A LYS 154.A NZ ARG 150.A O.A no hydrogen 3.061 N/A LYS 154.A NZ ARG 150.A O.B no hydrogen 3.011 N/A LEU 155.A N LEU 152.A O no hydrogen 2.860 N/A ILE 156.A N LEU 152.A O no hydrogen 3.122 N/A VAL 157.A N VAL 162.A O no hydrogen 2.837 N/A GLN 158.A NE2 ASN 160.A OD1 no hydrogen 2.854 N/A ALA 161.A N GLN 158.A O no hydrogen 3.251 N/A VAL 162.A N ASP 170.A OD1 no hydrogen 2.812 N/A ASN 163.A ND2 LYS 79.A O no hydrogen 3.089 N/A ASN 163.A ND2 ASP 169.A OD2 no hydrogen 2.817 N/A GLY 164.A N ALA 161.A O no hydrogen 3.059 N/A SER 167.A N ASP 170.A OD2 no hydrogen 2.954 N/A SER 167.A OG LYS 79.A O no hydrogen 3.495 N/A GLU 168.A N GLU 168.A OE1 no hydrogen 2.776 N/A ASP 169.A N SER 167.A OG no hydrogen 3.103 N/A ASP 170.A N SER 167.A O no hydrogen 2.953 N/A HIS 172.A N GLU 168.A O no hydrogen 3.015 N/A LEU 173.A N ASP 169.A O no hydrogen 2.851 N/A PHE 174.A N ASP 170.A O no hydrogen 3.049 N/A LEU 177.A N LEU 173.A O no hydrogen 3.185 N/A ARG 178.A N.A PHE 174.A O no hydrogen 2.764 N/A ARG 178.A N.B PHE 174.A O no hydrogen 2.792 N/A ARG 178.A NE.A ASN 205.A O no hydrogen 2.648 N/A ARG 178.A NE.B ASN 205.A O no hydrogen 3.096 N/A ARG 178.A NH1.A ASP 9.A O.A no hydrogen 2.941 N/A ARG 178.A NH1.A ASP 9.A O.B no hydrogen 3.020 N/A ARG 178.A NH1.A ASN 179.A OD1.B no hydrogen 3.569 N/A ARG 178.A NH1.B ASP 9.A O.A no hydrogen 2.884 N/A ARG 178.A NH1.B ASP 9.A O.B no hydrogen 2.933 N/A ARG 178.A NH1.B ASN 179.A OD1.A no hydrogen 3.400 N/A ARG 178.A NH1.B ASN 179.A OD1.B no hydrogen 2.832 N/A ARG 178.A NH2.A ASP 9.A OD1.A no hydrogen 3.180 N/A ARG 178.A NH2.A ASN 205.A O no hydrogen 3.327 N/A ARG 178.A NH2.A ASN 205.A OD1 no hydrogen 2.353 N/A ARG 178.A NH2.B ASP 9.A O.A no hydrogen 3.513 N/A ARG 178.A NH2.B ASP 9.A OD1.A no hydrogen 2.835 N/A ARG 178.A NH2.B ASN 205.A OD1 no hydrogen 3.207 N/A ASN 179.A N.A PRO 175.A O no hydrogen 2.984 N/A ASN 179.A N.B PRO 175.A O no hydrogen 2.912 N/A ASN 179.A ND2.A HIS 10.A O no hydrogen 3.149 N/A ASN 179.A ND2.B HIS 10.A O no hydrogen 2.914 N/A LEU 180.A N LEU 176.A O no hydrogen 2.918 N/A THR 181.A N ARG 178.A O.A no hydrogen 3.167 N/A THR 181.A N ARG 178.A O.B no hydrogen 3.141 N/A THR 181.A OG1 ARG 178.A O.A no hydrogen 2.517 N/A THR 181.A OG1 ARG 178.A O.B no hydrogen 2.699 N/A LEU 182.A N ASN 179.A O.A no hydrogen 2.870 N/A LEU 182.A N ASN 179.A O.B no hydrogen 3.063 N/A VAL 183.A N LEU 180.A O no hydrogen 2.960 N/A ALA 184.A N ILE 211.A O no hydrogen 2.934 N/A LYS 191.A N ASP 153.A OD1 no hydrogen 2.790 N/A VAL 192.A N ASP 153.A OD1 no hydrogen 3.318 N/A ALA 193.A N PRO 189.A O no hydrogen 2.886 N/A ASP 194.A N THR 190.A O no hydrogen 2.892 N/A TYR 195.A N LYS 191.A O no hydrogen 2.982 N/A TYR 195.A OH ASP 170.A OD1 no hydrogen 2.642 N/A ARG 196.A N VAL 192.A O no hydrogen 2.885 N/A ARG 196.A NE ASP 197.A OD1 no hydrogen 2.875 N/A ARG 196.A NH2 ASP 197.A OD1 no hydrogen 3.019 N/A ARG 196.A NH2 ASP 197.A OD2 no hydrogen 3.341 N/A ASP 197.A N ALA 193.A O no hydrogen 2.886 N/A ASN 198.A N ASP 194.A O no hydrogen 2.963 N/A ASN 198.A ND2 PRO 159.A O no hydrogen 2.980 N/A ASN 198.A ND2 GLN 201.A OE1 no hydrogen 2.828 N/A LYS 200.A N.A ASP 197.A O no hydrogen 3.225 N/A LYS 200.A N.B ASP 197.A O no hydrogen 3.212 N/A GLN 201.A N ASN 198.A O no hydrogen 2.880 N/A THR 202.A OG1 ALA 199.A O no hydrogen 3.417 N/A GLN 203.A N.A LYS 200.A O.A no hydrogen 3.256 N/A GLN 203.A N.B ALA 199.A O no hydrogen 2.971 N/A GLN 203.A N.B LYS 200.A O.A no hydrogen 3.235 N/A GLN 203.A NE2.B GLY 21.A O no hydrogen 3.056 N/A ILE 204.A N ALA 199.A O no hydrogen 3.175 N/A LEU 207.A N THR 181.A OG1 no hydrogen 2.798 N/A ILE 211.A N LEU 182.A O no hydrogen 2.940 N/A