Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kny_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N GLU 72.A O no hydrogen 2.793 N/A MET 7.A N PRO 47.A O no hydrogen 3.171 N/A THR 8.A N GLU 11.A OE1 no hydrogen 3.378 N/A ARG 9.A NE ASP 45.A OD1 no hydrogen 2.324 N/A ARG 9.A NE ASP 45.A OD2 no hydrogen 3.354 N/A ARG 9.A NH2 ASP 45.A O no hydrogen 3.460 N/A ARG 9.A NH2 ASP 45.A OD1 no hydrogen 2.982 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.468 N/A GLU 11.A N THR 8.A OG1 no hydrogen 2.824 N/A ARG 12.A N THR 8.A O no hydrogen 2.615 N/A ARG 12.A NE ASP 45.A OD2 no hydrogen 2.863 N/A ARG 12.A NH1 PRO 47.A O no hydrogen 3.161 N/A ARG 12.A NH2 ASP 45.A OD2 no hydrogen 2.862 N/A MET 13.A N ARG 9.A O no hydrogen 2.685 N/A LYS 14.A N GLU 10.A O no hydrogen 3.236 N/A ILE 15.A N GLU 11.A O no hydrogen 3.283 N/A VAL 16.A N ARG 12.A O no hydrogen 3.023 N/A HIS 17.A N MET 13.A O no hydrogen 2.915 N/A GLU 18.A N LYS 14.A O no hydrogen 2.684 N/A ILE 19.A N ILE 15.A O no hydrogen 2.754 N/A LYS 20.A N VAL 16.A O no hydrogen 2.796 N/A GLU 21.A N HIS 17.A O no hydrogen 3.085 N/A ARG 22.A N GLU 18.A O no hydrogen 3.236 N/A ILE 23.A N ILE 19.A O no hydrogen 2.927 N/A LEU 24.A N LYS 20.A O no hydrogen 3.217 N/A ASP 25.A N GLU 21.A O no hydrogen 2.986 N/A LYS 26.A N ARG 22.A O no hydrogen 3.082 N/A LYS 26.A NZ TYR 27.A OH no hydrogen 2.619 N/A TYR 27.A N ILE 23.A O no hydrogen 2.853 N/A ASP 30.A N TYR 27.A O no hydrogen 3.324 N/A VAL 31.A N GLY 28.A O no hydrogen 3.198 N/A LYS 32.A N VAL 56.A O no hydrogen 2.467 N/A LYS 32.A NZ GLU 82.A OE1 no hydrogen 3.280 N/A ILE 34.A N TYR 110.A O no hydrogen 2.533 N/A GLY 35.A N MET 54.A O no hydrogen 2.745 N/A VAL 36.A N LEU 107.A O no hydrogen 2.941 N/A TYR 37.A N GLU 52.A O no hydrogen 3.497 N/A GLY 41.A N TYR 37.A O no hydrogen 3.380 N/A ARG 42.A N GLY 38.A O no hydrogen 2.827 N/A ARG 42.A N SER 39.A O no hydrogen 3.089 N/A GLN 43.A N LEU 40.A O no hydrogen 2.671 N/A THR 44.A N SER 39.A O no hydrogen 2.869 N/A THR 44.A OG1 SER 39.A O no hydrogen 3.525 N/A GLY 46.A N SER 49.A OG no hydrogen 2.586 N/A SER 49.A N GLY 46.A O no hydrogen 3.158 N/A SER 49.A OG GLY 46.A O no hydrogen 2.886 N/A MET 53.A N GLU 76.A O no hydrogen 2.581 N/A MET 54.A N GLY 35.A O no hydrogen 2.902 N/A CYS 55.A N ASN 78.A O no hydrogen 2.516 N/A CYS 55.A SG ALA 33.A O no hydrogen 3.960 N/A VAL 56.A N ALA 33.A O no hydrogen 2.924 N/A MET 57.A N TYR 80.A O no hydrogen 2.631 N/A SER 58.A N ASP 30.A O no hydrogen 2.394 N/A PHE 64.A N PHE 79.A O no hydrogen 3.135 N/A HIS 66.A N VAL 77.A O no hydrogen 2.639 N/A TRP 68.A N VAL 75.A O no hydrogen 2.831 N/A THR 69.A OG1 TRP 73.A O no hydrogen 2.867 N/A THR 70.A N TRP 73.A O no hydrogen 2.938 N/A GLY 71.A N THR 69.A OG1 no hydrogen 2.967 N/A LYS 74.A NZ GLU 67.A OE1 no hydrogen 2.770 N/A VAL 75.A N TRP 68.A O no hydrogen 2.710 N/A GLU 76.A N ILE 51.A O no hydrogen 2.757 N/A VAL 77.A N HIS 66.A O no hydrogen 2.881 N/A ASN 78.A N MET 53.A O no hydrogen 2.896 N/A ASN 78.A ND2 MET 53.A O no hydrogen 3.455 N/A ASN 78.A ND2 GLU 76.A OE2 no hydrogen 3.487 N/A PHE 79.A N PHE 64.A O no hydrogen 2.577 N/A TYR 80.A N CYS 55.A O no hydrogen 2.850 N/A SER 81.A N ALA 62.A O no hydrogen 2.891 N/A GLU 83.A N SER 81.A OG no hydrogen 3.164 N/A LEU 85.A N SER 81.A O no hydrogen 3.327 N/A LEU 86.A N GLU 82.A O no hydrogen 3.433 N/A ASP 87.A N GLU 83.A O no hydrogen 2.981 N/A TYR 88.A N ILE 84.A O no hydrogen 3.080 N/A ALA 89.A N LEU 85.A O no hydrogen 2.693 N/A SER 90.A N LEU 86.A O no hydrogen 2.946 N/A SER 90.A N ASP 87.A O no hydrogen 3.000 N/A SER 90.A OG LEU 86.A O no hydrogen 2.237 N/A SER 90.A OG ASP 87.A O no hydrogen 2.783 N/A GLN 91.A N TYR 88.A O no hydrogen 2.912 N/A SER 94.A OG GLU 142.A OE2 no hydrogen 3.227 N/A TRP 96.A N GLU 93.A O no hydrogen 2.761 N/A LEU 98.A N ASP 95.A O no hydrogen 2.912 N/A THR 99.A N ASP 95.A O no hydrogen 2.761 N/A THR 99.A OG1 ASP 95.A O no hydrogen 3.092 N/A THR 99.A OG1 TRP 96.A O no hydrogen 3.463 N/A THR 99.A OG1 HIS 100.A ND1 no hydrogen 2.689 N/A HIS 100.A N TRP 96.A O no hydrogen 2.781 N/A HIS 100.A ND1 THR 99.A OG1 no hydrogen 2.689 N/A HIS 100.A NE2 TYR 88.A O no hydrogen 2.966 N/A GLN 102.A NE2 THR 99.A O no hydrogen 3.193 N/A PHE 103.A N HIS 100.A O no hydrogen 3.266 N/A PHE 104.A N GLY 101.A O no hydrogen 3.248 N/A LEU 107.A N VAL 36.A O no hydrogen 2.433 N/A ILE 109.A N ILE 34.A O no hydrogen 3.189 N/A TYR 110.A N ILE 34.A O no hydrogen 3.314 N/A SER 112.A N LYS 32.A O no hydrogen 2.532 N/A SER 112.A OG LYS 32.A O no hydrogen 3.172 N/A GLY 113.A N ASP 111.A OD1 no hydrogen 3.189 N/A TYR 115.A N ASP 111.A OD1 no hydrogen 2.705 N/A LEU 116.A N ASP 111.A OD2 no hydrogen 3.126 N/A GLU 117.A N GLY 114.A O no hydrogen 3.256 N/A LYS 118.A N GLY 114.A O no hydrogen 3.264 N/A LYS 118.A NZ GLU 82.A OE2 no hydrogen 2.346 N/A VAL 119.A N TYR 115.A O no hydrogen 2.992 N/A TYR 120.A N LEU 116.A O no hydrogen 3.153 N/A GLN 121.A N GLU 117.A O no hydrogen 2.711 N/A THR 122.A N LYS 118.A O no hydrogen 3.021 N/A THR 122.A OG1 LYS 118.A O no hydrogen 2.473 N/A ALA 123.A N VAL 119.A O no hydrogen 2.972 N/A LYS 124.A N TYR 120.A O no hydrogen 2.684 N/A SER 125.A N THR 122.A O no hydrogen 3.293 N/A SER 125.A OG GLN 121.A O no hydrogen 2.723 N/A GLN 129.A NE2 ASP 133.A OD1 no hydrogen 2.654 N/A PHE 131.A N ALA 128.A O no hydrogen 3.093 N/A HIS 132.A N GLN 129.A O no hydrogen 2.707 N/A HIS 132.A NE2 GLY 242.A O no hydrogen 2.821 N/A ASP 133.A N GLN 129.A O no hydrogen 2.897 N/A ALA 134.A N THR 130.A O no hydrogen 3.176 N/A ILE 135.A N PHE 131.A O no hydrogen 3.128 N/A CYS 136.A N HIS 132.A O no hydrogen 2.840 N/A CYS 136.A SG HIS 132.A O no hydrogen 3.546 N/A ALA 137.A N ASP 133.A O no hydrogen 2.800 N/A LEU 138.A N ALA 134.A O no hydrogen 3.143 N/A ILE 139.A N ILE 135.A O no hydrogen 3.088 N/A ILE 139.A N CYS 136.A O no hydrogen 2.958 N/A VAL 140.A N CYS 136.A O no hydrogen 3.287 N/A GLU 141.A N ALA 137.A O no hydrogen 2.788 N/A GLU 142.A N LEU 138.A O no hydrogen 2.815 N/A LEU 143.A N LEU 138.A O no hydrogen 3.091 N/A PHE 144.A N ILE 139.A O no hydrogen 2.922 N/A TYR 146.A N GLU 142.A O no hydrogen 3.223 N/A ALA 147.A N LEU 143.A O no hydrogen 2.915 N/A GLY 148.A N PHE 144.A O no hydrogen 3.101 N/A LYS 149.A N GLU 145.A O no hydrogen 2.997 N/A TRP 150.A N TYR 146.A O no hydrogen 2.683 N/A TRP 150.A NE1 GLU 228.A OE1 no hydrogen 2.628 N/A ARG 151.A N ALA 147.A O no hydrogen 3.030 N/A ARG 151.A NE GLU 228.A OE2 no hydrogen 3.120 N/A ARG 151.A NH2 GLU 228.A OE2 no hydrogen 2.515 N/A ASN 152.A N GLY 148.A O no hydrogen 3.008 N/A ILE 153.A N LYS 149.A O no hydrogen 2.971 N/A ARG 154.A N TRP 150.A O no hydrogen 3.375 N/A ARG 154.A NH1 GLU 228.A OE1 no hydrogen 3.034 N/A VAL 155.A N ARG 151.A O no hydrogen 3.466 N/A GLN 156.A N ASN 152.A O no hydrogen 2.548 N/A GLY 157.A N ILE 153.A O no hydrogen 2.661 N/A LEU 162.A N THR 159.A O no hydrogen 2.866 N/A LEU 165.A N PHE 161.A O no hydrogen 2.886 N/A THR 166.A N LEU 162.A O no hydrogen 3.311 N/A THR 166.A OG1 LEU 162.A O no hydrogen 2.744 N/A GLN 168.A N SER 164.A O no hydrogen 3.191 N/A VAL 169.A N LEU 165.A O no hydrogen 2.704 N/A ALA 170.A N THR 166.A O no hydrogen 2.533 N/A MET 171.A N VAL 167.A O no hydrogen 2.874 N/A ALA 172.A N GLN 168.A O no hydrogen 2.713 N/A GLY 173.A N VAL 169.A O no hydrogen 3.015 N/A ALA 174.A N ALA 170.A O no hydrogen 3.235 N/A MET 175.A N MET 171.A O no hydrogen 3.028 N/A LEU 176.A N ALA 172.A O no hydrogen 3.033 N/A ILE 177.A N GLY 173.A O no hydrogen 2.875 N/A GLY 178.A N ALA 174.A O no hydrogen 3.075 N/A LEU 179.A N MET 175.A O no hydrogen 2.961 N/A HIS 180.A N LEU 176.A O no hydrogen 3.073 N/A HIS 180.A ND1 TYR 243.A OH no hydrogen 2.390 N/A HIS 180.A NE2 ASP 200.A OD2 no hydrogen 2.683 N/A HIS 181.A N ILE 177.A O no hydrogen 2.732 N/A ILE 183.A N GLY 178.A O no hydrogen 3.198 N/A CYS 184.A SG TRP 96.A O no hydrogen 3.981 N/A TYR 185.A N PRO 97.A O no hydrogen 2.631 N/A TYR 185.A OH ALA 174.A O no hydrogen 2.475 N/A THR 186.A N GLU 194.A OE1 no hydrogen 3.234 N/A THR 186.A OG1 SER 190.A OG no hydrogen 2.347 N/A THR 186.A OG1 GLU 194.A OE2 no hydrogen 2.745 N/A THR 187.A N SER 190.A OG no hydrogen 2.830 N/A SER 190.A OG THR 186.A OG1 no hydrogen 2.347 N/A SER 190.A OG THR 187.A O no hydrogen 2.849 N/A THR 193.A OG1 SER 190.A O no hydrogen 2.842 N/A GLU 194.A N SER 190.A O no hydrogen 2.725 N/A ALA 195.A N VAL 191.A O no hydrogen 2.944 N/A VAL 196.A N LEU 192.A O no hydrogen 3.141 N/A LYS 197.A N GLU 194.A O no hydrogen 3.379 N/A GLN 198.A N ALA 195.A O no hydrogen 3.261 N/A LEU 201.A N SER 199.A O no hydrogen 2.900 N/A TYR 205.A N PRO 202.A O no hydrogen 2.890 N/A TYR 205.A OH ALA 170.A O no hydrogen 2.756 N/A LEU 208.A N GLY 204.A O no hydrogen 3.301 N/A CYS 209.A N TYR 205.A O no hydrogen 2.948 N/A GLN 210.A N ASP 206.A O no hydrogen 2.920 N/A GLN 210.A N HIS 207.A O no hydrogen 3.123 N/A GLN 210.A NE2 ASP 206.A O no hydrogen 2.624 N/A VAL 212.A N LEU 208.A O no hydrogen 3.054 N/A MET 213.A N CYS 209.A O no hydrogen 2.654 N/A SER 214.A N GLN 210.A O no hydrogen 2.903 N/A SER 214.A OG GLN 210.A O no hydrogen 2.624 N/A SER 214.A OG PHE 211.A O no hydrogen 2.909 N/A GLY 215.A N PHE 211.A O no hydrogen 3.003 N/A GLN 216.A N SER 214.A OG no hydrogen 3.378 N/A GLU 221.A N ASP 219.A OD1 no hydrogen 2.973 N/A LEU 223.A N ASP 219.A O no hydrogen 3.122 N/A LEU 224.A N SER 220.A O no hydrogen 3.088 N/A GLU 225.A N GLU 221.A O no hydrogen 3.360 N/A SER 226.A N LYS 222.A O no hydrogen 3.117 N/A SER 226.A OG LYS 222.A O no hydrogen 2.963 N/A LEU 227.A N LEU 223.A O no hydrogen 3.133 N/A GLU 228.A N LEU 224.A O no hydrogen 3.182 N/A ASN 229.A N GLU 225.A O no hydrogen 2.450 N/A PHE 230.A N SER 226.A O no hydrogen 2.670 N/A TRP 231.A N LEU 227.A O no hydrogen 2.913 N/A ASN 232.A N GLU 228.A O no hydrogen 3.123 N/A GLY 233.A N ASN 229.A O no hydrogen 2.670 N/A GLN 235.A N TRP 231.A O no hydrogen 3.051 N/A GLU 236.A N ASN 232.A O no hydrogen 3.489 N/A TRP 237.A N GLY 233.A O no hydrogen 3.270 N/A TRP 237.A NE1 ASP 200.A O no hydrogen 2.776 N/A THR 238.A N ILE 234.A O no hydrogen 2.925 N/A THR 238.A OG1 ILE 234.A O no hydrogen 3.265 N/A THR 238.A OG1 GLN 235.A O no hydrogen 2.547 N/A ARG 240.A N GLU 236.A O no hydrogen 2.991 N/A HIS 241.A N TRP 237.A O no hydrogen 2.877 N/A HIS 241.A ND1 TRP 237.A O no hydrogen 3.100 N/A GLY 242.A N THR 238.A O no hydrogen 2.773 N/A GLY 242.A N GLU 239.A O no hydrogen 3.194 N/A TYR 243.A N THR 238.A O no hydrogen 2.872 N/A TYR 243.A OH HIS 180.A ND1 no hydrogen 2.390 N/A SER 248.A OG ASP 246.A OD1 no hydrogen 2.749 N/A SER 248.A OG ASP 246.A OD2 no hydrogen 3.561 N/A