Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kjy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N THR 46.A OG1 no hydrogen 2.892 N/A VAL 3.A N LEU 44.A O no hydrogen 2.754 N/A PHE 5.A N PHE 42.A O no hydrogen 2.843 N/A THR 7.A OG1 LEU 9.A O no hydrogen 3.403 N/A GLN 10.A N LEU 59.A O no hydrogen 2.794 N/A GLN 10.A NE2 THR 45.A OG1 no hydrogen 3.008 N/A LEU 11.A N THR 43.A O no hydrogen 2.900 N/A PHE 12.A N ILE 57.A O no hydrogen 2.728 N/A VAL 13.A N THR 45.A O no hydrogen 2.970 N/A ALA 15.A N VAL 47.A O no hydrogen 2.800 N/A SER 16.A N SER 21.A O no hydrogen 2.948 N/A SER 16.A OG ASP 18.A OD1 no hydrogen 2.699 N/A SER 16.A OG SER 21.A O no hydrogen 3.274 N/A SER 16.A OG SER 21.A OG no hydrogen 3.072 N/A GLU 17.A N GLU 217.A OE1 no hydrogen 3.021 N/A GLY 19.A N SER 16.A O no hydrogen 2.984 N/A GLU 20.A N ASP 18.A OD1 no hydrogen 2.864 N/A SER 21.A N SER 16.A OG no hydrogen 3.043 N/A SER 21.A OG SER 16.A OG no hydrogen 3.072 N/A GLY 23.A N LYS 14.A O no hydrogen 2.726 N/A GLN 29.A N CYS 25.A O no hydrogen 3.054 N/A GLN 29.A NE2 THR 211.A OG1 no hydrogen 2.838 N/A ARG 30.A N PRO 26.A O no hydrogen 2.904 N/A ARG 30.A NE GLU 72.A OE1 no hydrogen 2.869 N/A ARG 30.A NH2 GLU 72.A OE2 no hydrogen 2.866 N/A LEU 31.A N SER 27.A O no hydrogen 3.242 N/A PHE 32.A N CYS 28.A O no hydrogen 3.012 N/A MET 33.A N GLN 29.A O no hydrogen 2.846 N/A VAL 34.A N ARG 30.A O no hydrogen 3.058 N/A LEU 35.A N LEU 31.A O no hydrogen 2.994 N/A LEU 36.A N PHE 32.A O no hydrogen 3.086 N/A LEU 37.A N MET 33.A O no hydrogen 2.786 N/A LYS 38.A N VAL 34.A O no hydrogen 2.932 N/A LYS 38.A NZ GLU 76.A OE1 no hydrogen 2.833 N/A LYS 38.A NZ LEU 79.A O no hydrogen 2.685 N/A LYS 38.A NZ PRO 85.A O no hydrogen 2.776 N/A GLY 39.A N LEU 36.A O no hydrogen 2.888 N/A PHE 42.A N PHE 5.A O no hydrogen 3.124 N/A THR 43.A N LEU 9.A O no hydrogen 2.946 N/A LEU 44.A N VAL 3.A O no hydrogen 2.808 N/A THR 45.A N LEU 11.A O no hydrogen 2.913 N/A THR 45.A OG1 GLU 2.A OE2 no hydrogen 3.276 N/A THR 46.A N LEU 1.A O no hydrogen 3.182 N/A THR 46.A OG1 LEU 1.A O no hydrogen 3.138 N/A VAL 47.A N VAL 13.A O no hydrogen 2.794 N/A SER 53.A N ALA 50.A O no hydrogen 2.851 N/A SER 53.A OG ALA 50.A O no hydrogen 2.425 N/A ILE 57.A N PHE 12.A O no hydrogen 3.127 N/A LEU 58.A N LYS 65.A O no hydrogen 2.900 N/A LEU 59.A N GLN 10.A O no hydrogen 2.657 N/A TYR 60.A N ASP 63.A O no hydrogen 2.841 N/A ASP 61.A N LYS 8.A O no hydrogen 3.266 N/A LYS 65.A N LEU 58.A O no hydrogen 2.930 N/A THR 66.A OG1 ASP 67.A OD1 no hydrogen 3.139 N/A ILE 71.A N ASP 67.A O no hydrogen 2.818 N/A GLU 72.A N THR 68.A O no hydrogen 2.941 N/A ASP 73.A N LEU 69.A O no hydrogen 2.961 N/A PHE 74.A N GLN 70.A O no hydrogen 3.000 N/A LEU 75.A N ILE 71.A O no hydrogen 3.018 N/A GLU 76.A N GLU 72.A O no hydrogen 2.964 N/A GLU 77.A N ASP 73.A O no hydrogen 2.856 N/A THR 78.A N PHE 74.A O no hydrogen 2.797 N/A THR 78.A OG1 PHE 74.A O no hydrogen 2.830 N/A LEU 79.A N LEU 75.A O no hydrogen 3.025 N/A PHE 84.A N GLY 80.A O no hydrogen 3.100 N/A SER 86.A OG GLU 76.A OE2 no hydrogen 2.716 N/A LEU 87.A N GLU 76.A OE1 no hydrogen 2.964 N/A ALA 88.A N GLU 76.A OE2 no hydrogen 3.049 N/A ARG 90.A N ASP 158.A OD1 no hydrogen 2.584 N/A ARG 90.A NE ASP 158.A OD1 no hydrogen 3.494 N/A ARG 90.A NH2 ASP 158.A O no hydrogen 2.849 N/A TYR 91.A N ASP 158.A OD2 no hydrogen 2.989 N/A TYR 91.A OH HIS 141.A ND1 no hydrogen 2.622 N/A SER 94.A N TYR 91.A O no hydrogen 2.869 N/A SER 94.A OG TYR 91.A O no hydrogen 3.350 N/A SER 94.A OG TYR 134.A OH no hydrogen 2.840 N/A SER 94.A OG ASP 158.A OD2 no hydrogen 2.498 N/A ASN 95.A N ARG 92.A O no hydrogen 3.024 N/A THR 96.A N GLU 93.A O no hydrogen 3.023 N/A ALA 97.A N GLU 93.A O no hydrogen 2.841 N/A ASN 99.A N THR 96.A O no hydrogen 2.993 N/A ASN 99.A ND2 ASN 95.A O no hydrogen 2.782 N/A VAL 101.A N GLY 98.A O no hydrogen 3.055 N/A LYS 104.A N ASP 100.A O no hydrogen 2.943 N/A LYS 104.A NZ ASP 100.A OD2 no hydrogen 3.332 N/A PHE 105.A N VAL 101.A O no hydrogen 2.887 N/A SER 106.A N PHE 102.A O no hydrogen 3.062 N/A SER 106.A OG PHE 102.A O no hydrogen 2.998 N/A ALA 107.A N HIS 103.A O no hydrogen 3.187 N/A PHE 108.A N LYS 104.A O no hydrogen 3.065 N/A ILE 109.A N PHE 105.A O no hydrogen 2.702 N/A LYS 110.A N SER 106.A O no hydrogen 3.059 N/A ASN 111.A N PHE 108.A O no hydrogen 3.237 N/A ASN 111.A ND2 VAL 113.A O no hydrogen 2.735 N/A VAL 113.A N ASN 111.A OD1 no hydrogen 2.965 N/A GLN 116.A N VAL 113.A O no hydrogen 3.019 N/A ASP 117.A N PRO 114.A O no hydrogen 3.249 N/A LEU 120.A N GLN 116.A O no hydrogen 2.867 N/A TYR 121.A N ASP 117.A O no hydrogen 2.908 N/A GLN 122.A N GLU 118.A O no hydrogen 2.936 N/A GLN 122.A NE2 GLU 118.A OE2 no hydrogen 3.229 N/A GLN 123.A N ALA 119.A O no hydrogen 3.123 N/A LEU 124.A N LEU 120.A O no hydrogen 3.085 N/A LEU 125.A N TYR 121.A O no hydrogen 2.854 N/A ARG 126.A N GLN 122.A O no hydrogen 2.819 N/A ALA 127.A N GLN 123.A O no hydrogen 3.174 N/A LEU 128.A N LEU 124.A O no hydrogen 2.993 N/A ALA 129.A N LEU 125.A O no hydrogen 2.848 N/A ARG 130.A N ARG 126.A O no hydrogen 3.086 N/A ARG 130.A NH2.A ASP 100.A OD2 no hydrogen 2.588 N/A LEU 131.A N ALA 127.A O no hydrogen 3.017 N/A ASP 132.A N LEU 128.A O no hydrogen 2.805 N/A SER 133.A N ALA 129.A O no hydrogen 2.829 N/A SER 133.A OG ALA 129.A O no hydrogen 3.370 N/A TYR 134.A N ARG 130.A O no hydrogen 3.143 N/A TYR 134.A OH SER 94.A OG no hydrogen 2.840 N/A LEU 135.A N LEU 131.A O no hydrogen 2.980 N/A ARG 136.A N ASP 132.A O no hydrogen 3.024 N/A ARG 136.A N SER 133.A O no hydrogen 3.135 N/A ARG 136.A NE GLU 151.A OE1 no hydrogen 3.431 N/A ALA 137.A N TYR 134.A O no hydrogen 3.251 N/A LEU 139.A N GLU 142.A OE1 no hydrogen 2.879 N/A HIS 141.A N TYR 91.A OH no hydrogen 2.970 N/A HIS 141.A ND1 TYR 91.A OH no hydrogen 2.622 N/A GLU 142.A N LEU 139.A O no hydrogen 2.816 N/A LEU 143.A N LEU 139.A O no hydrogen 3.041 N/A ALA 144.A N GLU 140.A O no hydrogen 3.066 N/A GLU 146.A N GLU 142.A O no hydrogen 3.057 N/A LEU 149.A N GLU 146.A O no hydrogen 3.176 N/A SER 152.A N ARG 136.A O no hydrogen 2.823 N/A SER 152.A OG GLU 142.A OE1 no hydrogen 2.615 N/A SER 152.A OG GLU 142.A OE2 no hydrogen 3.213 N/A ARG 153.A N GLU 142.A OE2 no hydrogen 2.836 N/A ARG 153.A NE GLU 146.A OE1 no hydrogen 3.396 N/A ARG 153.A NH2 GLU 146.A OE1 no hydrogen 2.944 N/A ARG 153.A NH2 GLU 146.A OE2 no hydrogen 3.457 N/A ARG 154.A N SER 152.A OG no hydrogen 3.213 N/A ARG 154.A NE PHE 156.A O no hydrogen 2.691 N/A ARG 154.A NE LEU 157.A O no hydrogen 2.772 N/A ARG 154.A NH1 TYR 134.A O no hydrogen 2.943 N/A ARG 154.A NH1 LEU 157.A O no hydrogen 2.699 N/A ARG 154.A NH2 TYR 134.A O no hydrogen 3.257 N/A ARG 154.A NH2 ALA 137.A O no hydrogen 2.948 N/A ARG 154.A NH2 SER 152.A OG no hydrogen 3.109 N/A ARG 155.A N ASP 160.A OD1 no hydrogen 2.835 N/A ARG 155.A NH2 SER 201.A O no hydrogen 3.089 N/A PHE 156.A N GLY 159.A O no hydrogen 2.887 N/A LEU 157.A N ASP 166.A OD1 no hydrogen 3.100 N/A THR 163.A N ASP 166.A OD2 no hydrogen 2.783 N/A THR 163.A OG1 ASP 166.A OD2 no hydrogen 3.043 N/A LEU 164.A N LEU 87.A O no hydrogen 2.772 N/A CYS 167.A N THR 163.A O no hydrogen 3.159 N/A CYS 167.A SG THR 163.A O no hydrogen 3.441 N/A SER 168.A N LEU 164.A O no hydrogen 3.148 N/A LEU 169.A N ALA 165.A O no hydrogen 3.043 N/A LEU 170.A N ASP 166.A O no hydrogen 2.772 N/A LEU 173.A N LEU 169.A O no hydrogen 2.812 N/A HIS 174.A N LEU 170.A O no hydrogen 2.901 N/A ILE 175.A N PRO 171.A O no hydrogen 3.216 N/A VAL 176.A N LYS 172.A O no hydrogen 3.042 N/A ASP 177.A N LEU 173.A O no hydrogen 3.017 N/A THR 178.A N HIS 174.A O no hydrogen 2.852 N/A THR 178.A OG1 HIS 174.A O no hydrogen 2.769 N/A VAL 179.A N ILE 175.A O no hydrogen 2.832 N/A CYS 180.A N VAL 176.A O no hydrogen 2.966 N/A ALA 181.A N ASP 177.A O no hydrogen 2.990 N/A HIS 182.A N THR 178.A O no hydrogen 3.123 N/A PHE 183.A N VAL 179.A O no hydrogen 2.802 N/A ARG 184.A N CYS 180.A O no hydrogen 3.019 N/A ARG 184.A NH1 ASP 117.A OD2 no hydrogen 3.013 N/A ARG 184.A NH2 ASP 117.A OD1 no hydrogen 3.047 N/A ARG 184.A NH2 ASP 117.A OD2 no hydrogen 3.306 N/A ALA 186.A N CYS 180.A O no hydrogen 2.903 N/A ILE 188.A N ASP 177.A OD1 no hydrogen 3.173 N/A LEU 192.A N PRO 189.A O no hydrogen 2.924 N/A ARG 193.A N GLU 191.A O no hydrogen 2.890 N/A ARG 193.A NE GLU 191.A O no hydrogen 3.519 N/A VAL 195.A N ASP 132.A OD1 no hydrogen 2.957 N/A ARG 196.A N LEU 192.A O no hydrogen 3.015 N/A ARG 196.A NH1 ASP 177.A OD1 no hydrogen 3.416 N/A ARG 196.A NH1 ILE 188.A O no hydrogen 3.277 N/A ARG 196.A NH2 ASP 177.A OD2 no hydrogen 3.119 N/A ARG 197.A N ARG 193.A O no hydrogen 3.022 N/A ARG 197.A NH1 ARG 153.A O no hydrogen 3.162 N/A ARG 197.A NH1 ARG 154.A O no hydrogen 2.847 N/A ARG 197.A NH2 ARG 154.A O no hydrogen 3.235 N/A TYR 198.A N GLY 194.A O no hydrogen 3.109 N/A TYR 198.A OH ASP 166.A OD1 no hydrogen 2.811 N/A LEU 199.A N VAL 195.A O no hydrogen 2.981 N/A ASP 200.A N ARG 196.A O no hydrogen 2.851 N/A SER 201.A N ARG 197.A O no hydrogen 2.617 N/A SER 201.A OG ARG 197.A O no hydrogen 2.932 N/A ALA 202.A N TYR 198.A O no hydrogen 3.044 N/A MET 203.A N LEU 199.A O no hydrogen 3.215 N/A GLN 204.A N SER 201.A O no hydrogen 3.109 N/A GLU 205.A N ALA 202.A O no hydrogen 2.991 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.813 N/A PHE 208.A N GLU 205.A O no hydrogen 2.966 N/A LYS 209.A N GLU 205.A O no hydrogen 2.955 N/A TYR 210.A N LYS 206.A O no hydrogen 3.051 N/A THR 211.A N PHE 208.A O no hydrogen 3.068 N/A THR 211.A OG1 GLU 207.A O no hydrogen 2.841 N/A THR 211.A OG1 PHE 208.A O no hydrogen 2.994 N/A CYS 212.A N PHE 208.A O no hydrogen 3.219 N/A CYS 212.A N LYS 209.A O no hydrogen 3.432 N/A CYS 212.A SG PHE 208.A O no hydrogen 3.612 N/A GLU 217.A N HIS 214.A O no hydrogen 3.075 N/A ILE 218.A N HIS 214.A O no hydrogen 3.499 N/A LEU 219.A N SER 215.A O no hydrogen 2.927 N/A ALA 220.A N ALA 216.A O no hydrogen 2.872 N/A ALA 221.A N GLU 217.A O no hydrogen 3.245 N/A TYR 222.A N LEU 219.A O no hydrogen 3.017 N/A ARG 223.A N ALA 220.A O no hydrogen 3.061 N/A