Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 10.A OD2 no hydrogen 2.712 N/A LYS 2.A NZ TYR 32.A OH no hydrogen 2.819 N/A GLN 7.A N MET 3.A O no hydrogen 3.209 N/A GLN 7.A NE2 LYS 2.A O no hydrogen 3.158 N/A VAL 8.A N GLN 4.A O no hydrogen 2.740 N/A LEU 9.A N VAL 5.A O no hydrogen 3.040 N/A ASP 10.A N LEU 6.A O no hydrogen 3.123 N/A ARG 11.A N GLN 7.A O no hydrogen 3.060 N/A ARG 11.A NE ASP 97.A OD2 no hydrogen 3.381 N/A ARG 11.A NH2 ASP 97.A OD1 no hydrogen 3.485 N/A LEU 12.A N VAL 8.A O no hydrogen 2.892 N/A ARG 13.A N LEU 9.A O no hydrogen 3.069 N/A ARG 13.A NE SER 29.A OG no hydrogen 3.361 N/A ARG 13.A NH2 SER 29.A OG no hydrogen 2.908 N/A GLY 14.A N ASP 10.A O no hydrogen 3.117 N/A LYS 15.A N ARG 11.A O no hydrogen 2.804 N/A LEU 16.A N LEU 12.A O no hydrogen 2.890 N/A GLN 17.A N ARG 13.A O no hydrogen 3.239 N/A GLU 18.A N GLY 14.A O no hydrogen 3.101 N/A LYS 19.A N LYS 15.A O no hydrogen 2.925 N/A GLY 20.A N GLN 17.A O no hydrogen 2.890 N/A ASP 21.A N LEU 16.A O no hydrogen 2.956 N/A THR 22.A OG1 ASP 21.A O no hydrogen 2.596 N/A THR 23.A N ASP 21.A OD2 no hydrogen 2.992 N/A THR 23.A OG1 ASP 21.A OD2 no hydrogen 2.483 N/A THR 23.A OG1 GLN 24.A OE1 no hydrogen 3.397 N/A ASN 25.A N THR 22.A O no hydrogen 3.492 N/A ASN 25.A ND2 ARG 13.A O no hydrogen 3.120 N/A LEU 28.A N GLN 24.A O no hydrogen 3.040 N/A SER 29.A N ASN 25.A O no hydrogen 2.970 N/A SER 29.A OG ASN 25.A O no hydrogen 2.833 N/A ALA 30.A N GLU 26.A O no hydrogen 2.914 N/A PHE 31.A N LYS 27.A O no hydrogen 2.900 N/A TYR 32.A N LEU 28.A O no hydrogen 2.985 N/A GLU 33.A N SER 29.A O no hydrogen 3.025 N/A THR 34.A N ALA 30.A O no hydrogen 3.136 N/A THR 34.A OG1 ALA 30.A O no hydrogen 3.277 N/A LEU 35.A N PHE 31.A O no hydrogen 2.874 N/A LYS 36.A N TYR 32.A O no hydrogen 2.766 N/A SER 37.A N THR 34.A O no hydrogen 3.185 N/A SER 37.A OG THR 34.A O no hydrogen 3.362 N/A SER 37.A OG HIS 117.A NE2 no hydrogen 3.328 N/A LEU 39.A N GLN 67.A O no hydrogen 2.904 N/A PHE 40.A N SER 37.A OG no hydrogen 3.168 N/A ASN 41.A N SER 37.A O no hydrogen 3.029 N/A ASN 41.A ND2 LEU 35.A O no hydrogen 2.829 N/A ASN 41.A ND2 SER 37.A O no hydrogen 2.797 N/A GLN 42.A N PRO 38.A O no hydrogen 3.055 N/A GLN 42.A NE2 GLN 42.A O no hydrogen 2.885 N/A ILE 43.A N LEU 39.A O no hydrogen 3.047 N/A LEU 44.A N PHE 40.A O no hydrogen 2.883 N/A THR 45.A N ASN 41.A O no hydrogen 3.014 N/A THR 45.A OG1 ASN 41.A O no hydrogen 3.198 N/A LEU 46.A N GLN 42.A O no hydrogen 2.982 N/A GLN 47.A N ILE 43.A O no hydrogen 2.863 N/A GLN 48.A N LEU 44.A O no hydrogen 2.852 N/A SER 49.A N THR 45.A O no hydrogen 2.845 N/A SER 49.A OG THR 45.A O no hydrogen 2.819 N/A ILE 50.A N LEU 46.A O no hydrogen 2.984 N/A LEU 53.A N ILE 50.A O no hydrogen 3.119 N/A ILE 60.A N LEU 57.A O no hydrogen 3.018 N/A LEU 62.A N ILE 60.A O no hydrogen 2.711 N/A GLU 63.A N GLU 63.A OE1 no hydrogen 2.626 N/A VAL 64.A N PRO 61.A O no hydrogen 3.080 N/A LEU 65.A N LEU 62.A O no hydrogen 2.984 N/A PHE 66.A N LEU 62.A O no hydrogen 3.066 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.807 N/A LEU 78.A N GLU 74.A O no hydrogen 3.048 N/A PHE 79.A N ILE 75.A O no hydrogen 2.852 N/A SER 80.A N GLU 76.A O no hydrogen 2.840 N/A SER 81.A N ASP 77.A O no hydrogen 2.750 N/A SER 81.A OG ASP 77.A O no hydrogen 3.146 N/A LEU 82.A N LEU 78.A O no hydrogen 3.123 N/A LYS 83.A N PHE 79.A O no hydrogen 3.054 N/A LYS 83.A NZ GLN 86.A OE1 no hydrogen 2.769 N/A HIS 84.A N SER 80.A O no hydrogen 3.030 N/A ILE 85.A N SER 81.A O no hydrogen 2.967 N/A GLN 86.A N LEU 82.A O no hydrogen 2.940 N/A HIS 87.A N LYS 83.A O no hydrogen 3.133 N/A HIS 87.A N HIS 84.A O no hydrogen 3.080 N/A THR 88.A N ILE 85.A O no hydrogen 2.949 N/A THR 88.A OG1 HIS 84.A O no hydrogen 2.954 N/A LEU 89.A N ILE 85.A O no hydrogen 2.972 N/A GLN 93.A NE2 ASP 97.A OD1 no hydrogen 3.186 N/A SER 94.A N ASP 91.A OD1 no hydrogen 3.086 N/A SER 94.A OG ASP 91.A OD1 no hydrogen 3.085 N/A SER 94.A OG ASP 91.A OD2 no hydrogen 2.896 N/A GLN 95.A N ASP 91.A O no hydrogen 2.993 N/A GLN 95.A NE2 GLN 86.A O no hydrogen 2.943 N/A GLN 95.A NE2 LEU 89.A O no hydrogen 2.663 N/A GLU 96.A N SER 92.A O no hydrogen 3.091 N/A ASP 97.A N GLN 93.A O no hydrogen 2.780 N/A ILE 98.A N SER 94.A O no hydrogen 2.789 N/A SER 99.A N GLN 95.A O no hydrogen 3.076 N/A LEU 100.A N GLU 96.A O no hydrogen 3.092 N/A LEU 101.A N ASP 97.A O no hydrogen 3.050 N/A LEU 102.A N ILE 98.A O no hydrogen 2.828 N/A GLN 103.A N SER 99.A O no hydrogen 2.894 N/A LEU 104.A N LEU 100.A O no hydrogen 3.026 N/A VAL 105.A N LEU 101.A O no hydrogen 3.109 N/A GLN 106.A N LEU 102.A O no hydrogen 3.103 N/A GLN 106.A N GLN 103.A O no hydrogen 3.108 N/A ASN 107.A N GLN 103.A O no hydrogen 3.130 N/A ASN 107.A N LEU 104.A O no hydrogen 3.120 N/A LYS 108.A NZ GLN 111.A OE1 no hydrogen 3.493 N/A GLN 111.A N ASN 107.A O no hydrogen 3.020 N/A GLN 111.A NE2 VAL 105.A O no hydrogen 2.786 N/A ASN 112.A N LYS 108.A O no hydrogen 3.111 N/A ALA 113.A N ASP 109.A O no hydrogen 2.997 N/A PHE 114.A N PHE 110.A O no hydrogen 2.959 N/A LYS 115.A N GLN 111.A O no hydrogen 3.036 N/A ILE 116.A N ASN 112.A O no hydrogen 2.985 N/A HIS 117.A N ALA 113.A O no hydrogen 2.813 N/A HIS 117.A ND1 ASN 118.A OD1 no hydrogen 3.104 N/A ASN 118.A N PHE 114.A O no hydrogen 2.994 N/A ASN 118.A ND2 LEU 73.A O no hydrogen 2.915 N/A ALA 119.A N LYS 115.A O no hydrogen 3.000 N/A ILE 120.A N ILE 116.A O no hydrogen 3.072 N/A THR 121.A N HIS 117.A O no hydrogen 2.893 N/A THR 121.A OG1 HIS 117.A O no hydrogen 2.923 N/A VAL 122.A N ASN 118.A O no hydrogen 3.051 N/A HIS 123.A N ILE 120.A O no hydrogen 3.102 N/A MET 124.A N THR 121.A O no hydrogen 2.850 N/A ASN 125.A N THR 121.A O no hydrogen 2.978 N/A LYS 126.A NZ VAL 122.A O no hydrogen 2.607 N/A ALA 137.A N ASP 176.A OD1 no hydrogen 2.849 N/A GLN 138.A N ASP 176.A OD2 no hydrogen 3.004 N/A LEU 140.A N ASN 136.A O no hydrogen 3.024 N/A ALA 141.A N ALA 137.A O no hydrogen 2.856 N/A GLN 142.A N GLN 138.A O no hydrogen 3.128 N/A GLU 143.A N ASP 139.A O no hydrogen 2.905 N/A VAL 144.A N LEU 140.A O no hydrogen 2.860 N/A GLN 145.A N ALA 141.A O no hydrogen 3.062 N/A GLN 145.A NE2 THR 160.A O no hydrogen 3.040 N/A THR 146.A N GLN 142.A O no hydrogen 2.930 N/A THR 146.A OG1 GLU 143.A O no hydrogen 2.773 N/A VAL 147.A N GLU 143.A O no hydrogen 2.961 N/A LEU 148.A N VAL 144.A O no hydrogen 2.983 N/A LEU 148.A N GLN 145.A O no hydrogen 3.022 N/A LYS 149.A N GLN 145.A O no hydrogen 2.958 N/A VAL 151.A N LEU 148.A O no hydrogen 2.917 N/A GLU 155.A N HIS 153.A ND1 no hydrogen 3.178 N/A GLN 157.A N HIS 153.A O no hydrogen 2.999 N/A GLU 158.A N LYS 154.A O no hydrogen 3.092 N/A LEU 159.A N GLU 155.A O no hydrogen 2.943 N/A THR 160.A N GLY 156.A O no hydrogen 2.881 N/A ALA 161.A N GLN 157.A O no hydrogen 3.090 N/A LEU 162.A N GLU 158.A O no hydrogen 2.939 N/A LEU 163.A N LEU 159.A O no hydrogen 2.967 N/A ASN 164.A N ALA 161.A O no hydrogen 2.969 N/A THR 165.A N LEU 162.A O no hydrogen 3.127 N/A THR 165.A OG1 LEU 162.A O no hydrogen 2.816 N/A ILE 168.A N THR 165.A OG1 no hydrogen 3.293 N/A GLN 169.A N THR 165.A O no hydrogen 2.898 N/A ALA 170.A N PRO 166.A O no hydrogen 2.875 N/A LEU 171.A N HIS 167.A O no hydrogen 2.910 N/A LEU 172.A N ILE 168.A O no hydrogen 3.069 N/A LEU 173.A N GLN 169.A O no hydrogen 3.046 N/A ALA 174.A N ALA 170.A O no hydrogen 2.734 N/A HIS 175.A N LEU 171.A O no hydrogen 2.816 N/A HIS 175.A ND1 ASP 176.A OD1 no hydrogen 2.996 N/A ASP 176.A N LEU 172.A O no hydrogen 3.085 N/A LYS 177.A N LEU 173.A O no hydrogen 2.877 N/A LYS 177.A NZ GLU 188.A OE2 no hydrogen 2.662 N/A VAL 178.A N ALA 174.A O no hydrogen 2.860 N/A ALA 179.A N HIS 175.A O no hydrogen 2.927 N/A GLU 180.A N LYS 177.A O no hydrogen 3.109 N/A GLY 185.A N MET 183.A O no hydrogen 2.864 N/A GLY 186.A N GLU 188.A OE1 no hydrogen 2.861 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.778 N/A VAL 189.A N GLY 186.A O no hydrogen 3.279 N/A LEU 190.A N LEU 187.A O no hydrogen 3.096 N/A PHE 191.A N GLU 188.A O no hydrogen 3.086 N/A GLN 192.A N VAL 189.A O no hydrogen 3.523 N/A ALA 195.A N GLN 192.A O no hydrogen 3.171 N/A LEU 196.A N GLY 193.A O no hydrogen 3.317 N/A VAL 197.A N TYR 246.A OH no hydrogen 3.389 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.868 N/A LEU 202.A N GLU 198.A O no hydrogen 3.048 N/A GLU 203.A N PRO 199.A O no hydrogen 2.875 N/A ARG 204.A N LEU 200.A O no hydrogen 2.832 N/A ASP 205.A N GLY 201.A O no hydrogen 3.003 N/A VAL 206.A N LEU 202.A O no hydrogen 2.918 N/A SER 207.A N GLU 203.A O no hydrogen 2.846 N/A SER 207.A OG GLU 203.A O no hydrogen 3.268 N/A ARG 208.A N ARG 204.A O no hydrogen 2.877 N/A ARG 208.A NE GLU 158.A OE2 no hydrogen 2.873 N/A ARG 208.A NH2 GLU 158.A OE1 no hydrogen 3.044 N/A ARG 208.A NH2 GLU 158.A OE2 no hydrogen 3.376 N/A ALA 209.A N ASP 205.A O no hydrogen 2.952 N/A VAL 210.A N VAL 206.A O no hydrogen 3.095 N/A GLU 211.A N SER 207.A O no hydrogen 2.989 N/A LEU 212.A N ARG 208.A O no hydrogen 2.899 N/A LEU 213.A N ALA 209.A O no hydrogen 2.871 N/A GLU 214.A N VAL 210.A O no hydrogen 2.962 N/A ARG 215.A N GLU 211.A O no hydrogen 2.905 N/A ARG 215.A NE GLU 211.A OE2 no hydrogen 2.843 N/A ARG 215.A NH1 GLU 155.A OE2 no hydrogen 3.090 N/A ARG 215.A NH2 GLU 211.A OE2 no hydrogen 3.428 N/A LEU 216.A N LEU 212.A O no hydrogen 2.857 N/A GLN 217.A N LEU 213.A O no hydrogen 3.058 N/A GLN 217.A NE2 LEU 213.A O no hydrogen 3.062 N/A GLN 217.A NE2 GLN 231.A OE1 no hydrogen 2.780 N/A ARG 218.A N GLU 214.A O no hydrogen 2.956 N/A SER 219.A N ARG 215.A O no hydrogen 3.100 N/A SER 219.A OG LEU 216.A O no hydrogen 2.702 N/A GLU 221.A N SER 219.A OG no hydrogen 3.324 N/A LYS 226.A NZ GLU 143.A OE1 no hydrogen 2.699 N/A GLN 228.A N PRO 224.A O no hydrogen 2.918 N/A ALA 229.A N GLN 225.A O no hydrogen 2.995 N/A LEU 230.A N LYS 226.A O no hydrogen 2.980 N/A GLN 231.A N LEU 227.A O no hydrogen 2.963 N/A GLN 231.A NE2 GLN 235.A OE1 no hydrogen 2.976 N/A ARG 232.A N GLN 228.A O no hydrogen 2.945 N/A VAL 233.A N ALA 229.A O no hydrogen 2.889 N/A LEU 234.A N LEU 230.A O no hydrogen 2.954 N/A GLN 235.A N GLN 231.A O no hydrogen 2.964 N/A SER 236.A N VAL 233.A O no hydrogen 3.122 N/A SER 236.A OG VAL 233.A O no hydrogen 2.691 N/A ARG 237.A NH1 SER 128.A O no hydrogen 3.090 N/A ARG 237.A NH2 SER 128.A O no hydrogen 2.833 N/A CYS 239.A N SER 236.A OG no hydrogen 3.023 N/A CYS 239.A SG LEU 234.A O no hydrogen 3.810 N/A SER 240.A N SER 236.A O no hydrogen 2.872 N/A SER 240.A OG SER 236.A O no hydrogen 2.861 N/A ALA 241.A N ARG 237.A O no hydrogen 2.833 N/A ILE 242.A N PHE 238.A O no hydrogen 3.116 N/A ARG 243.A N CYS 239.A O no hydrogen 3.058 N/A ARG 243.A NE GLU 203.A OE1 no hydrogen 3.199 N/A ARG 243.A NE GLU 203.A OE2 no hydrogen 2.625 N/A ARG 243.A NH1 LEU 234.A O no hydrogen 2.916 N/A ARG 243.A NH2 GLU 203.A OE1 no hydrogen 2.923 N/A GLU 244.A N SER 240.A O no hydrogen 2.816 N/A VAL 245.A N ALA 241.A O no hydrogen 2.924 N/A TYR 246.A N ILE 242.A O no hydrogen 2.883 N/A TYR 246.A OH VAL 197.A O no hydrogen 2.604 N/A GLU 247.A N ARG 243.A O no hydrogen 3.060 N/A GLN 248.A N GLU 244.A O no hydrogen 3.135 N/A GLN 248.A NE2 GLU 244.A OE2 no hydrogen 2.901 N/A LEU 249.A N VAL 245.A O no hydrogen 2.771 N/A TYR 250.A N TYR 246.A O no hydrogen 2.765 N/A ASP 251.A N GLU 247.A O no hydrogen 2.961 N/A THR 252.A N LEU 249.A O no hydrogen 3.057 N/A THR 252.A OG1 LEU 249.A O no hydrogen 3.018 N/A LEU 253.A N TYR 250.A O no hydrogen 3.068 N/A