Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4knw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A N ASP 180.A O no hydrogen 2.932 N/A ALA 5.A N ASP 180.A O no hydrogen 3.258 N/A VAL 6.A N ARG 123.A O no hydrogen 2.855 N/A PHE 7.A N VAL 182.A O no hydrogen 2.823 N/A PHE 8.A N LEU 125.A O no hydrogen 2.765 N/A ASP 9.A N VAL 184.A O no hydrogen 2.900 N/A ASN 12.A N ILE 15.A O no hydrogen 2.733 N/A THR 13.A N LEU 10.A O no hydrogen 3.198 N/A THR 13.A OG1 ASP 9.A OD2 no hydrogen 2.844 N/A THR 13.A OG1 ASP 186.A OD1 no hydrogen 2.772 N/A LEU 14.A N LEU 10.A O no hydrogen 2.862 N/A ILE 15.A N LEU 10.A O no hydrogen 3.205 N/A THR 17.A N ILE 15.A O no hydrogen 2.889 N/A THR 17.A OG1 ASP 11.A OD1 no hydrogen 2.797 N/A ALA 18.A N ASN 12.A OD1 no hydrogen 2.906 N/A GLY 19.A N ASP 16.A OD1 no hydrogen 3.068 N/A ALA 20.A N ASP 16.A O no hydrogen 3.030 N/A SER 21.A N THR 17.A O no hydrogen 2.712 N/A SER 21.A OG THR 17.A O no hydrogen 2.681 N/A ARG 22.A N ALA 18.A O no hydrogen 3.021 N/A ARG 23.A N GLY 19.A O no hydrogen 3.095 N/A GLY 24.A N ALA 20.A O no hydrogen 3.162 N/A MET 25.A N SER 21.A O no hydrogen 3.157 N/A LEU 26.A N ARG 22.A O no hydrogen 2.792 N/A GLU 27.A N ARG 23.A O no hydrogen 3.138 N/A VAL 28.A N GLY 24.A O no hydrogen 3.009 N/A ILE 29.A N MET 25.A O no hydrogen 2.857 N/A LYS 30.A N LEU 26.A O no hydrogen 2.915 N/A LEU 31.A N GLU 27.A O no hydrogen 2.815 N/A LEU 32.A N VAL 28.A O no hydrogen 2.861 N/A GLN 33.A N ILE 29.A O no hydrogen 2.946 N/A GLN 33.A NE2 LYS 39.A O no hydrogen 2.482 N/A SER 34.A N LYS 30.A O no hydrogen 3.233 N/A LYS 35.A N LEU 31.A O no hydrogen 2.852 N/A TYR 36.A OH GLU 92.A OE2 no hydrogen 3.132 N/A TYR 38.A N LEU 32.A O no hydrogen 3.136 N/A TYR 38.A N GLN 33.A O no hydrogen 3.185 N/A LYS 39.A N GLU 41.A OE1 no hydrogen 2.449 N/A ILE 45.A N GLU 41.A O no hydrogen 3.081 N/A CYS 46.A N ALA 42.A O no hydrogen 3.126 N/A CYS 46.A SG ALA 42.A O no hydrogen 3.633 N/A ASP 47.A N GLU 43.A O no hydrogen 3.305 N/A LYS 48.A N ILE 44.A O no hydrogen 3.026 N/A VAL 49.A N ILE 45.A O no hydrogen 3.048 N/A GLN 50.A N CYS 46.A O no hydrogen 2.877 N/A VAL 51.A N ASP 47.A O no hydrogen 2.980 N/A LYS 52.A N LYS 48.A O no hydrogen 2.901 N/A LYS 52.A NZ GLU 75.A OE1 no hydrogen 2.988 N/A LEU 53.A N VAL 49.A O no hydrogen 2.819 N/A SER 54.A OG VAL 51.A O no hydrogen 2.458 N/A LYS 55.A N VAL 51.A O no hydrogen 3.283 N/A LYS 55.A N LYS 52.A O no hydrogen 3.263 N/A GLU 56.A N LEU 53.A O no hydrogen 3.265 N/A CYS 57.A SG LEU 53.A O no hydrogen 3.798 N/A PHE 58.A N GLU 56.A O no hydrogen 2.670 N/A TYR 61.A OH GLU 160.A OE1 no hydrogen 3.416 N/A TYR 61.A OH GLU 160.A OE2 no hydrogen 3.355 N/A ARG 69.A N ILE 65.A O no hydrogen 2.701 N/A THR 70.A N THR 66.A O no hydrogen 2.922 N/A THR 70.A OG1 THR 66.A O no hydrogen 2.373 N/A SER 71.A N ASP 67.A O no hydrogen 3.147 N/A SER 71.A OG ASP 67.A O no hydrogen 3.164 N/A SER 71.A OG LEU 68.A O no hydrogen 2.337 N/A HIS 72.A N LEU 68.A O no hydrogen 2.984 N/A TRP 73.A N THR 70.A O no hydrogen 3.088 N/A GLU 74.A N THR 70.A O no hydrogen 3.384 N/A GLU 75.A N SER 71.A O no hydrogen 2.950 N/A ILE 77.A N TRP 73.A O no hydrogen 2.731 N/A GLN 78.A N GLU 74.A O no hydrogen 3.309 N/A THR 80.A N ALA 76.A O no hydrogen 3.291 N/A THR 80.A OG1 ALA 76.A O no hydrogen 3.441 N/A LYS 81.A N ILE 77.A O no hydrogen 2.833 N/A ARG 87.A NE GLU 74.A OE2 no hydrogen 3.033 N/A LEU 89.A N ASN 86.A OD1 no hydrogen 3.204 N/A ALA 90.A N ASN 86.A O no hydrogen 3.078 N/A GLU 91.A N ARG 87.A O no hydrogen 2.793 N/A GLU 92.A N LYS 88.A O no hydrogen 2.932 N/A CYS 93.A N LEU 89.A O no hydrogen 3.000 N/A CYS 93.A SG LEU 89.A O no hydrogen 3.278 N/A TYR 94.A N ALA 90.A O no hydrogen 3.049 N/A PHE 95.A N GLU 91.A O no hydrogen 3.224 N/A LEU 96.A N GLU 92.A O no hydrogen 2.995 N/A TRP 97.A N CYS 93.A O no hydrogen 2.923 N/A LYS 98.A N TYR 94.A O no hydrogen 2.638 N/A LYS 98.A NZ GLU 137.A OE1 no hydrogen 3.298 N/A LYS 98.A NZ GLU 137.A OE2 no hydrogen 2.928 N/A SER 99.A N PHE 95.A O no hydrogen 2.812 N/A SER 99.A OG PHE 95.A O no hydrogen 2.788 N/A SER 99.A OG LEU 96.A O no hydrogen 3.255 N/A THR 100.A N LEU 96.A O no hydrogen 3.143 N/A THR 100.A OG1 LEU 96.A O no hydrogen 2.452 N/A ARG 101.A N TRP 97.A O no hydrogen 3.286 N/A ARG 101.A NE SER 21.A OG no hydrogen 3.178 N/A ARG 101.A NH2 SER 21.A OG no hydrogen 2.716 N/A LEU 102.A N LYS 98.A O no hydrogen 3.186 N/A GLN 103.A N SER 99.A O no hydrogen 3.437 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.017 N/A HIS 104.A N ARG 101.A O no hydrogen 3.080 N/A HIS 104.A ND1 THR 100.A O no hydrogen 3.141 N/A MET 105.A N LEU 102.A O no hydrogen 3.388 N/A LYS 112.A N ALA 108.A O no hydrogen 2.896 N/A ALA 113.A N GLU 109.A O no hydrogen 2.975 N/A MET 114.A N ASP 110.A O no hydrogen 3.009 N/A LEU 115.A N VAL 111.A O no hydrogen 2.977 N/A THR 116.A N LYS 112.A O no hydrogen 2.992 N/A THR 116.A OG1 LYS 112.A O no hydrogen 2.882 N/A GLU 117.A N ALA 113.A O no hydrogen 3.405 N/A LEU 118.A N LEU 115.A O no hydrogen 3.296 N/A ARG 119.A N LEU 115.A O no hydrogen 3.166 N/A ARG 119.A NH1 SER 146.A O no hydrogen 2.825 N/A ARG 119.A NH2 ASP 149.A OD2 no hydrogen 2.993 N/A GLU 121.A N LEU 118.A O no hydrogen 3.054 N/A VAL 122.A N LEU 118.A O no hydrogen 3.171 N/A ARG 123.A N ARG 4.A O no hydrogen 3.258 N/A LEU 124.A N ASP 149.A OD1 no hydrogen 3.007 N/A LEU 125.A N VAL 6.A O no hydrogen 2.932 N/A LEU 126.A N ALA 150.A O no hydrogen 2.805 N/A LEU 127.A N PHE 8.A O no hydrogen 2.759 N/A THR 128.A N VAL 152.A O no hydrogen 3.152 N/A THR 128.A OG1 ASN 129.A O no hydrogen 3.009 N/A ASN 129.A ND2 LYS 161.A O no hydrogen 3.165 N/A GLY 130.A N GLU 160.A OE2 no hydrogen 2.609 N/A THR 134.A N ASP 131.A OD2 no hydrogen 2.784 N/A THR 134.A OG1 ASP 131.A OD1 no hydrogen 2.896 N/A THR 134.A OG1 ASP 131.A OD2 no hydrogen 2.799 N/A GLN 135.A N ASP 131.A O no hydrogen 3.071 N/A GLN 135.A NE2 ASP 11.A OD2 no hydrogen 3.122 N/A GLN 135.A NE2 THR 128.A OG1 no hydrogen 2.969 N/A ARG 136.A N ARG 132.A O no hydrogen 3.007 N/A ARG 136.A NE GLU 156.A OE2 no hydrogen 2.690 N/A ARG 136.A NH2 GLU 156.A OE1 no hydrogen 3.031 N/A ARG 136.A NH2 GLU 156.A OE2 no hydrogen 3.507 N/A GLU 137.A N GLN 133.A O no hydrogen 3.277 N/A LYS 138.A N THR 134.A O no hydrogen 3.333 N/A LYS 138.A NZ ASP 11.A OD1 no hydrogen 2.542 N/A LYS 138.A NZ GLN 135.A OE1 no hydrogen 3.147 N/A ILE 139.A N GLN 135.A O no hydrogen 2.923 N/A GLU 140.A N ARG 136.A O no hydrogen 2.939 N/A ALA 141.A N GLU 137.A O no hydrogen 2.852 N/A CYS 142.A N LYS 138.A O no hydrogen 3.018 N/A CYS 142.A SG LYS 138.A O no hydrogen 3.324 N/A CYS 142.A SG ILE 139.A O no hydrogen 3.711 N/A ALA 143.A N GLU 140.A O no hydrogen 3.302 N/A TYR 147.A N CYS 144.A O no hydrogen 2.748 N/A PHE 148.A N GLN 145.A O no hydrogen 3.212 N/A ASP 149.A N LEU 124.A O no hydrogen 2.981 N/A VAL 152.A N LEU 126.A O no hydrogen 2.743 N/A GLY 154.A N THR 128.A O no hydrogen 2.790 N/A GLY 155.A N GLY 130.A O no hydrogen 2.778 N/A GLU 156.A N VAL 153.A O no hydrogen 3.077 N/A GLN 157.A N GLY 154.A O no hydrogen 2.959 N/A GLN 157.A NE2 VAL 153.A O no hydrogen 3.076 N/A LYS 161.A N ASN 129.A OD1 no hydrogen 3.188 N/A LYS 161.A NZ ASP 9.A OD1 no hydrogen 3.410 N/A LYS 161.A NZ LEU 127.A O no hydrogen 3.036 N/A LYS 161.A NZ ASP 191.A OD1 no hydrogen 2.469 N/A ALA 163.A N GLU 160.A O no hydrogen 2.953 N/A SER 165.A OG GLU 159.A OE1 no hydrogen 2.810 N/A TYR 168.A N PRO 164.A O no hydrogen 2.913 N/A TYR 169.A N SER 165.A O no hydrogen 2.844 N/A CYS 170.A N ILE 166.A O no hydrogen 3.219 N/A CYS 170.A SG ILE 166.A O no hydrogen 3.147 N/A CYS 171.A N PHE 167.A O no hydrogen 3.014 N/A CYS 171.A SG PHE 167.A O no hydrogen 3.379 N/A ASN 172.A N TYR 168.A O no hydrogen 3.024 N/A LEU 173.A N TYR 169.A O no hydrogen 2.868 N/A LEU 174.A N CYS 170.A O no hydrogen 3.193 N/A LEU 174.A N CYS 171.A O no hydrogen 3.200 N/A GLY 175.A N ASN 172.A O no hydrogen 3.112 N/A VAL 176.A N CYS 171.A O no hydrogen 2.805 N/A ASP 180.A N GLN 177.A O no hydrogen 2.678 N/A CYS 181.A N PRO 178.A O no hydrogen 3.018 N/A CYS 181.A SG GLN 177.A O no hydrogen 3.617 N/A VAL 182.A N ALA 5.A O no hydrogen 3.162 N/A MET 183.A N ALA 202.A O no hydrogen 3.078 N/A VAL 184.A N PHE 7.A O no hydrogen 2.912 N/A GLY 185.A N VAL 204.A O no hydrogen 3.181 N/A THR 187.A N ASP 191.A OD2 no hydrogen 3.085 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.804 N/A ILE 192.A N THR 187.A O no hydrogen 3.281 N/A GLN 193.A N LEU 188.A O no hydrogen 2.859 N/A GLN 193.A NE2 GLN 193.A O no hydrogen 3.083 N/A GLN 193.A NE2 ASN 197.A OD1 no hydrogen 2.689 N/A GLY 194.A N THR 190.A O no hydrogen 2.808 N/A GLY 195.A N ASP 191.A O no hydrogen 3.183 N/A LEU 196.A N ILE 192.A O no hydrogen 3.015 N/A ASN 197.A N GLN 193.A O no hydrogen 2.825 N/A ASN 197.A ND2 PRO 162.A O no hydrogen 3.186 N/A ALA 198.A N GLY 194.A O no hydrogen 3.046 N/A GLY 199.A N LEU 196.A O no hydrogen 3.296 N/A LEU 200.A N GLY 195.A O no hydrogen 3.179 N/A THR 203.A N HIS 221.A ND1 no hydrogen 2.975 N/A THR 203.A OG1 HIS 221.A ND1 no hydrogen 2.803 N/A VAL 204.A N MET 183.A O no hydrogen 2.822 N/A TRP 205.A N TYR 222.A O no hydrogen 2.986 N/A TRP 205.A NE1 ASP 186.A O no hydrogen 3.022 N/A ILE 206.A N GLY 185.A O no hydrogen 2.791 N/A ASN 207.A N VAL 224.A O no hydrogen 2.778 N/A ASN 207.A ND2 ILE 211.A O no hydrogen 2.853 N/A LYS 208.A NZ ASN 209.A OD1 no hydrogen 2.903 N/A GLY 210.A N ASN 207.A O no hydrogen 3.288 N/A ILE 211.A N ASN 207.A OD1 no hydrogen 2.959 N/A SER 217.A N LEU 214.A O no hydrogen 3.177 N/A HIS 221.A N THR 203.A O no hydrogen 3.075 N/A HIS 221.A N THR 203.A OG1 no hydrogen 3.051 N/A HIS 221.A ND1 THR 203.A OG1 no hydrogen 2.803 N/A TYR 222.A N THR 203.A O no hydrogen 3.086 N/A VAL 224.A N TRP 205.A O no hydrogen 3.047 N/A SER 225.A N GLU 229.A OE2 no hydrogen 3.299 N/A SER 225.A OG GLU 229.A OE2 no hydrogen 3.198 N/A SER 226.A N GLU 229.A OE2 no hydrogen 3.361 N/A LEU 228.A N SER 226.A OG no hydrogen 3.232 N/A GLU 229.A N SER 226.A O no hydrogen 3.171 N/A LEU 230.A N VAL 227.A O no hydrogen 3.460 N/A LEU 233.A N GLU 229.A O no hydrogen 3.150 N/A LEU 234.A N LEU 230.A O no hydrogen 2.479 N/A GLN 235.A N PRO 231.A O no hydrogen 2.980 N/A SER 236.A N LEU 233.A O no hydrogen 3.013 N/A SER 236.A OG LEU 233.A O no hydrogen 2.533 N/A ILE 237.A N LEU 233.A O no hydrogen 3.184 N/A ASP 238.A N GLN 235.A O no hydrogen 3.380 N/A