Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4zwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N ASN 8.A O no hydrogen 2.962 N/A GLY 5.A N ASN 8.A OD1 no hydrogen 2.845 N/A ASN 8.A N GLY 5.A O no hydrogen 3.277 N/A ASN 8.A ND2 HIS 1.A O no hydrogen 3.541 N/A HIS 12.A N GLY 9.A O no hydrogen 2.746 N/A HIS 12.A NE2 LYS 6.A O no hydrogen 2.972 N/A TRP 13.A NE1 GLY 3.A O no hydrogen 3.120 N/A TRP 13.A NE1 ASN 8.A O no hydrogen 3.114 N/A LYS 15.A N HIS 12.A O no hydrogen 3.173 N/A LYS 15.A NZ HIS 12.A ND1 no hydrogen 2.870 N/A ASP 16.A N TRP 13.A O no hydrogen 3.184 N/A PHE 17.A N TRP 13.A O no hydrogen 2.846 N/A ALA 20.A N PHE 17.A O no hydrogen 2.832 N/A LYS 21.A N PRO 18.A O no hydrogen 3.179 N/A GLY 22.A N ILE 19.A O no hydrogen 2.804 N/A ARG 24.A N GLU 200.A OE2 no hydrogen 3.027 N/A ARG 24.A NE GLY 191.A O no hydrogen 3.049 N/A ARG 24.A NH1 PRO 133.A O no hydrogen 3.412 N/A ARG 24.A NH2 PRO 133.A O no hydrogen 3.309 N/A ARG 24.A NH2 GLY 191.A O no hydrogen 2.933 N/A ARG 24.A NH2 VAL 202.A O no hydrogen 3.077 N/A GLN 25.A NE2 LEU 198.A O no hydrogen 3.062 N/A GLN 25.A NE2 GLU 200.A OE2 no hydrogen 3.026 N/A SER 26.A N SER 192.A OG no hydrogen 2.862 N/A SER 26.A OG TYR 189.A OH no hydrogen 2.853 N/A ILE 30.A N THR 105.A O no hydrogen 2.719 N/A THR 32.A N ASP 107.A OD1 no hydrogen 2.816 N/A THR 32.A OG1 ASP 107.A OD1 no hydrogen 3.247 N/A THR 32.A OG1 ASP 107.A OD2 no hydrogen 2.602 N/A HIS 33.A N ASP 31.A OD1.B no hydrogen 3.201 N/A THR 34.A N ASP 31.A O no hydrogen 3.070 N/A THR 34.A OG1 ASP 31.A OD1.A no hydrogen 2.872 N/A THR 34.A OG1 ASP 31.A OD2.B no hydrogen 2.676 N/A ALA 35.A N ASP 31.A O no hydrogen 3.044 N/A LYS 36.A N ILE 251.A O no hydrogen 3.317 N/A ASP 38.A N ALA 253.A O no hydrogen 2.916 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.973 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.640 N/A SER 40.A OG ASP 38.A OD2 no hydrogen 3.207 N/A LEU 41.A N ASP 38.A O no hydrogen 3.102 N/A SER 45.A N LYS 77.A O no hydrogen 2.833 N/A SER 47.A N VAL 75.A O no hydrogen 2.937 N/A TYR 48.A OH HIS 118.A NE2 no hydrogen 2.730 N/A ALA 51.A N TYR 48.A O no hydrogen 3.094 N/A THR 52.A OG1 GLN 50.A O no hydrogen 3.382 N/A SER 53.A OG PHE 171.A O no hydrogen 2.607 N/A LEU 54.A N GLU 66.A O no hydrogen 2.838 N/A ARG 55.A NE GLU 66.A OE1 no hydrogen 2.751 N/A ARG 55.A NH2 GLU 66.A OE1 no hydrogen 3.302 N/A ARG 55.A NH2 GLU 66.A OE2 no hydrogen 2.816 N/A ILE 56.A N ALA 169.A O no hydrogen 2.930 N/A LEU 57.A N ASN 64.A O no hydrogen 2.843 N/A ASN 58.A N LYS 167.A O no hydrogen 2.956 N/A ASN 58.A ND2 ILE 162.A O no hydrogen 3.072 N/A ASN 58.A ND2 ASN 225.A O no hydrogen 3.230 N/A ASN 59.A N ALA 62.A O no hydrogen 3.085 N/A GLY 60.A N ASN 58.A OD1 no hydrogen 2.877 N/A HIS 61.A N ASN 59.A OD1 no hydrogen 3.018 N/A ALA 62.A N ASN 59.A OD1 no hydrogen 2.946 N/A ASN 64.A N LEU 57.A O no hydrogen 2.811 N/A VAL 65.A N PHE 90.A O no hydrogen 2.913 N/A GLU 66.A N ARG 55.A O no hydrogen 2.818 N/A PHE 67.A N ILE 88.A O no hydrogen 2.858 N/A ASP 68.A N THR 52.A O no hydrogen 2.864 N/A SER 70.A N ASP 68.A OD1 no hydrogen 2.953 N/A SER 70.A OG ASP 68.A OD1 no hydrogen 2.663 N/A LYS 73.A NZ THR 52.A OG1 no hydrogen 3.038 N/A LYS 73.A NZ ASP 68.A OD2 no hydrogen 2.861 N/A VAL 75.A N SER 47.A O no hydrogen 2.959 N/A LEU 76.A N TYR 85.A O no hydrogen 2.809 N/A LYS 77.A N SER 45.A O no hydrogen 2.932 N/A GLY 79.A N PRO 43.A O no hydrogen 2.962 N/A LEU 81.A N GLY 78.A O no hydrogen 2.861 N/A TYR 85.A N LEU 76.A O no hydrogen 3.044 N/A TYR 85.A OH ASP 134.A O no hydrogen 3.087 N/A ARG 86.A N TRP 119.A O no hydrogen 2.872 N/A ARG 86.A NE ASP 72.A OD1 no hydrogen 2.515 N/A ARG 86.A NH1 ASP 69.A O no hydrogen 2.835 N/A ARG 86.A NH2 ASP 72.A OD1 no hydrogen 3.357 N/A LEU 87.A N ALA 74.A O no hydrogen 2.911 N/A ILE 88.A N VAL 117.A O no hydrogen 2.938 N/A PHE 90.A N VAL 65.A O no hydrogen 2.985 N/A HIS 91.A N HIS 115.A O no hydrogen 3.081 N/A HIS 91.A ND1 GLN 89.A OE1 no hydrogen 2.761 N/A HIS 93.A N GLU 113.A O no hydrogen 2.909 N/A HIS 93.A ND1 ASN 239.A O no hydrogen 2.789 N/A TRP 94.A N ASN 239.A OD1 no hydrogen 2.785 N/A TRP 94.A NE1 MET 236.A O no hydrogen 2.851 N/A SER 96.A N ASP 238.A OD1 no hydrogen 3.051 N/A SER 96.A OG ASP 238.A OD2 no hydrogen 2.708 N/A GLN 100.A N LEU 97.A O no hydrogen 3.196 N/A GLN 100.A NE2 ASP 238.A OD1 no hydrogen 2.871 N/A SER 102.A N TYR 110.A O no hydrogen 3.022 N/A SER 102.A OG HIS 104.A O no hydrogen 2.754 N/A GLU 103.A N GLU 113.A OE1 no hydrogen 2.839 N/A HIS 104.A N GLU 113.A OE1 no hydrogen 2.817 N/A HIS 104.A ND1 GLU 113.A OE2 no hydrogen 2.794 N/A HIS 104.A NE2 TYR 189.A OH no hydrogen 2.585 N/A THR 105.A N VAL 28.A O no hydrogen 3.487 N/A THR 105.A OG1 ASP 29.A OD1 no hydrogen 2.594 N/A ASP 107.A N ILE 30.A O no hydrogen 2.877 N/A LYS 108.A N ASP 29.A OD1 no hydrogen 2.751 N/A TYR 110.A N SER 102.A OG no hydrogen 2.960 N/A ALA 111.A N LEU 143.A O no hydrogen 3.000 N/A GLU 113.A N HIS 93.A O no hydrogen 2.888 N/A LEU 114.A N ILE 141.A O no hydrogen 2.775 N/A HIS 115.A N HIS 91.A O no hydrogen 2.847 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.644 N/A LEU 116.A N LEU 139.A O no hydrogen 2.833 N/A VAL 117.A N GLN 89.A O no hydrogen 2.844 N/A HIS 118.A N ALA 137.A O no hydrogen 2.962 N/A HIS 118.A ND1 ALA 137.A O no hydrogen 3.017 N/A HIS 118.A NE2 TYR 48.A OH no hydrogen 2.730 N/A TRP 119.A N ARG 86.A O no hydrogen 2.954 N/A TRP 119.A NE1 ASP 69.A OD2 no hydrogen 2.808 N/A ASN 120.A N GLY 135.A O no hydrogen 2.745 N/A ASN 120.A ND2 ASP 134.A O no hydrogen 3.207 N/A THR 121.A N THR 84.A O no hydrogen 2.956 N/A THR 121.A OG1 THR 84.A O no hydrogen 3.423 N/A LYS 122.A N ASN 120.A OD1 no hydrogen 3.209 N/A LYS 122.A NZ ASP 134.A OD2 no hydrogen 3.152 N/A TYR 123.A N ASN 120.A O no hydrogen 2.959 N/A TYR 123.A OH ASP 134.A OD1 no hydrogen 2.535 N/A GLY 124.A N THR 121.A O no hydrogen 3.236 N/A ASP 125.A N TYR 123.A O no hydrogen 2.843 N/A LYS 128.A N ASP 125.A OD1 no hydrogen 2.914 N/A LYS 128.A NZ.B TYR 123.A O no hydrogen 3.075 N/A ALA 129.A N ASP 125.A O no hydrogen 3.003 N/A VAL 130.A N PHE 126.A O no hydrogen 3.077 N/A GLN 131.A N LYS 128.A O no hydrogen 3.072 N/A GLN 132.A N ALA 129.A O no hydrogen 3.022 N/A GLN 132.A NE2 LYS 128.A O no hydrogen 3.072 N/A GLY 135.A N GLN 132.A O no hydrogen 3.157 N/A LEU 136.A N CYS 201.A O no hydrogen 2.810 N/A ALA 137.A N HIS 118.A O no hydrogen 2.919 N/A VAL 138.A N THR 203.A O no hydrogen 3.186 N/A LEU 139.A N LEU 116.A O no hydrogen 2.987 N/A GLY 140.A N ILE 205.A O no hydrogen 2.801 N/A ILE 141.A N LEU 114.A O no hydrogen 2.885 N/A LEU 143.A N ALA 112.A O no hydrogen 2.993 N/A LYS 144.A N ILE 211.A O no hydrogen 2.917 N/A GLY 146.A N VAL 213.A O no hydrogen 2.708 N/A SER 147.A OG.B SER 212.A OG no hydrogen 2.948 N/A LYS 149.A N GLN 217.A OE1 no hydrogen 2.999 N/A LYS 149.A NZ LEU 180.A O no hydrogen 3.542 N/A LEU 152.A N LYS 149.A O no hydrogen 2.940 N/A GLN 153.A N PRO 150.A O no hydrogen 3.042 N/A GLN 153.A NE2 ASP 157.A OD1 no hydrogen 3.024 N/A VAL 156.A N LEU 152.A O no hydrogen 3.131 N/A ASP 157.A N GLN 153.A O no hydrogen 2.764 N/A VAL 158.A N VAL 155.A O no hydrogen 3.239 N/A LEU 159.A N VAL 156.A O no hydrogen 3.344 N/A SER 161.A N VAL 158.A O no hydrogen 2.865 N/A SER 161.A OG.A VAL 158.A O no hydrogen 2.622 N/A ILE 162.A N LEU 159.A O no hydrogen 3.197 N/A LYS 163.A NZ GLU 233.A OE2 no hydrogen 3.201 N/A LYS 165.A N ASN 227.A O no hydrogen 2.869 N/A GLY 166.A N ASN 58.A O no hydrogen 2.715 N/A LYS 167.A N THR 164.A O no hydrogen 3.105 N/A LYS 167.A NZ GLU 229.A OE1 no hydrogen 3.168 N/A ALA 169.A N ILE 56.A O no hydrogen 2.919 N/A PHE 171.A N LEU 54.A O no hydrogen 2.979 N/A THR 172.A N ASP 170.A OD1 no hydrogen 3.016 N/A THR 172.A OG1 ASP 170.A OD1 no hydrogen 2.984 N/A THR 172.A OG1 ASN 173.A OD1 no hydrogen 3.077 N/A PHE 174.A N SER 53.A OG no hydrogen 2.778 N/A ARG 177.A N ASP 175.A OD1 no hydrogen 2.993 N/A ARG 177.A NE ASP 175.A OD1 no hydrogen 3.002 N/A ARG 177.A NE ASP 175.A OD2 no hydrogen 3.143 N/A ARG 177.A NH2 ASP 175.A OD2 no hydrogen 2.814 N/A GLY 178.A N ASP 175.A O no hydrogen 3.211 N/A LEU 179.A N PRO 176.A O no hydrogen 3.023 N/A LEU 180.A N ARG 177.A O no hydrogen 3.385 N/A GLU 182.A N GLU 209.A OE2 no hydrogen 3.167 N/A SER 183.A N GLU 209.A OE1 no hydrogen 2.855 N/A ASP 185.A N SER 183.A OG no hydrogen 3.039 N/A TYR 186.A N SER 254.A OG no hydrogen 3.054 N/A TYR 186.A OH LYS 42.A O no hydrogen 2.721 N/A TRP 187.A N VAL 206.A O no hydrogen 2.852 N/A THR 188.A N LYS 252.A O no hydrogen 2.798 N/A THR 188.A OG1 TRP 204.A O no hydrogen 2.790 N/A TYR 189.A N TRP 204.A O no hydrogen 3.249 N/A TYR 189.A OH SER 26.A OG no hydrogen 2.853 N/A TYR 189.A OH HIS 104.A NE2 no hydrogen 2.585 N/A GLY 191.A N VAL 202.A O no hydrogen 2.791 N/A SER 192.A N SER 26.A OG no hydrogen 2.924 N/A SER 192.A OG LEU 193.A O no hydrogen 2.868 N/A LEU 193.A N LEU 199.A O no hydrogen 2.957 N/A THR 194.A OG1 GLU 103.A OE1 no hydrogen 2.595 N/A THR 194.A OG1 GLU 103.A OE2 no hydrogen 3.453 N/A THR 195.A OG1 PRO 196.A O no hydrogen 3.544 N/A LEU 198.A N THR 195.A O no hydrogen 2.827 N/A CYS 201.A N LEU 199.A O no hydrogen 3.005 N/A CYS 201.A SG LEU 199.A O no hydrogen 3.687 N/A VAL 202.A N GLY 191.A O no hydrogen 3.225 N/A THR 203.A N LEU 136.A O no hydrogen 2.884 N/A TRP 204.A N TYR 189.A O no hydrogen 2.976 N/A TRP 204.A NE1 SER 192.A O no hydrogen 2.944 N/A ILE 205.A N VAL 138.A O no hydrogen 2.979 N/A VAL 206.A N TRP 187.A O no hydrogen 2.913 N/A LEU 207.A N GLY 140.A O no hydrogen 2.914 N/A LYS 208.A N ASP 185.A O no hydrogen 2.927 N/A LYS 208.A NZ ASP 185.A OD2 no hydrogen 2.566 N/A ILE 211.A N PHE 142.A O no hydrogen 2.905 N/A SER 212.A OG SER 147.A O no hydrogen 3.425 N/A SER 212.A OG SER 147.A OG.B no hydrogen 2.948 N/A VAL 213.A N LYS 144.A O no hydrogen 2.881 N/A SER 214.A N GLN 217.A OE1 no hydrogen 3.026 N/A SER 214.A OG GLU 216.A OE1 no hydrogen 3.469 N/A GLN 217.A N SER 214.A OG no hydrogen 3.094 N/A GLN 217.A NE2 LYS 149.A O no hydrogen 2.970 N/A GLN 217.A NE2 GLN 153.A OE1 no hydrogen 2.986 N/A VAL 218.A N SER 214.A O no hydrogen 3.248 N/A LEU 219.A N SER 215.A O no hydrogen 2.885 N/A LYS 220.A N GLU 216.A O no hydrogen 3.142 N/A PHE 221.A N GLN 217.A O no hydrogen 3.465 N/A ARG 222.A N VAL 218.A O no hydrogen 3.185 N/A ARG 222.A N LEU 219.A O no hydrogen 3.049 N/A ARG 222.A NE GLY 95.A O no hydrogen 2.803 N/A ARG 222.A NH1 ASP 98.A OD1 no hydrogen 3.509 N/A ARG 222.A NH2 ASP 98.A OD1 no hydrogen 2.716 N/A LYS 223.A N LYS 220.A O no hydrogen 3.230 N/A LEU 224.A N PHE 221.A O no hydrogen 3.200 N/A ASN 225.A N LYS 163.A O no hydrogen 2.823 N/A PHE 226.A N GLU 234.A O no hydrogen 2.843 N/A ASN 227.A ND2 GLY 228.A O no hydrogen 2.944 N/A GLY 228.A N GLU 231.A OE1 no hydrogen 2.813 N/A GLU 231.A N GLY 228.A O no hydrogen 3.174 N/A GLU 234.A N ASN 227.A OD1 no hydrogen 2.749 N/A MET 236.A N LEU 224.A O no hydrogen 2.810 N/A ASN 239.A N TRP 94.A O no hydrogen 3.332 N/A ASN 239.A ND2 HIS 61.A O no hydrogen 2.792 N/A TRP 240.A NE1 ASP 238.A OD1 no hydrogen 2.989 N/A ARG 241.A N GLU 103.A OE2 no hydrogen 2.745 N/A ARG 241.A NH1 GLN 25.A OE1 no hydrogen 2.758 N/A ARG 241.A NH1 SER 26.A O no hydrogen 2.779 N/A ARG 241.A NH2 ALA 20.A O no hydrogen 3.205 N/A ARG 241.A NH2 GLN 25.A OE1 no hydrogen 3.362 N/A GLN 244.A N PRO 27.A O no hydrogen 2.734 N/A GLN 244.A NE2 PRO 242.A O no hydrogen 2.869 N/A LYS 247.A NZ GLY 22.A O no hydrogen 2.827 N/A ARG 249.A N LEU 246.A O no hydrogen 3.313 N/A ARG 249.A NE LEU 246.A O no hydrogen 2.778 N/A ARG 249.A NH1 GLN 25.A O no hydrogen 2.992 N/A ARG 249.A NH1 PRO 190.A O no hydrogen 2.992 N/A ARG 249.A NH2 GLN 25.A O no hydrogen 2.852 N/A ARG 249.A NH2 PRO 245.A O no hydrogen 2.956 N/A ARG 249.A NH2 LEU 246.A O no hydrogen 3.434 N/A LYS 252.A N THR 188.A O no hydrogen 2.949 N/A LYS 252.A NZ ASP 38.A OD2 no hydrogen 3.467 N/A ALA 253.A N LYS 36.A O no hydrogen 2.931 N/A SER 254.A N TYR 186.A O no hydrogen 2.836 N/A SER 254.A OG TYR 186.A O no hydrogen 3.522 N/A