Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4krv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N ILE 47.A O no hydrogen 3.191 N/A SER 8.A OG ARG 78.A O no hydrogen 2.614 N/A LEU 10.A N SER 8.A OG no hydrogen 3.105 N/A VAL 12.A N ASP 130.A OD2 no hydrogen 2.849 N/A GLY 13.A N ASP 130.A OD1 no hydrogen 2.892 N/A MET 15.A N MET 128.A O no hydrogen 2.709 N/A GLU 18.A N TYR 71.A OH no hydrogen 3.229 N/A ASN 20.A ND2 GLU 18.A OE1 no hydrogen 3.097 N/A VAL 28.A N ASP 24.A O no hydrogen 2.674 N/A GLU 29.A N LEU 25.A O no hydrogen 2.861 N/A GLN 30.A N LYS 26.A O no hydrogen 2.903 N/A GLN 31.A N LEU 27.A O no hydrogen 2.755 N/A ASN 32.A N VAL 28.A O no hydrogen 3.003 N/A ASN 32.A N GLU 29.A O no hydrogen 3.248 N/A ASN 32.A ND2 VAL 28.A O no hydrogen 3.097 N/A VAL 35.A N ASN 32.A O no hydrogen 3.198 N/A LYS 36.A N ARG 40.A O no hydrogen 2.696 N/A GLY 38.A N TYR 258.A O no hydrogen 2.922 N/A GLY 39.A N LYS 36.A O no hydrogen 3.079 N/A GLY 39.A N PRO 259.A O no hydrogen 3.183 N/A ARG 40.A N LYS 36.A O no hydrogen 3.244 N/A ARG 40.A NH1 ASP 82.A OD1 no hydrogen 3.053 N/A ARG 40.A NH1 TYR 83.A O no hydrogen 2.578 N/A ARG 40.A NH2 ASP 82.A OD1 no hydrogen 3.374 N/A TYR 41.A N TYR 83.A O no hydrogen 2.942 N/A THR 42.A OG1 ASP 82.A OD1 no hydrogen 2.582 N/A ILE 47.A N THR 2.A O no hydrogen 2.701 N/A SER 48.A OG HIS 50.A O no hydrogen 3.139 N/A SER 48.A OG GLN 80.A O no hydrogen 3.243 N/A HIS 50.A N SER 48.A OG no hydrogen 3.270 N/A LYS 51.A N ASN 116.A OD1 no hydrogen 2.847 N/A LYS 51.A NZ ASP 114.A OD2 no hydrogen 3.184 N/A VAL 52.A N ASP 82.A O no hydrogen 2.902 N/A ALA 53.A N CYS 117.A O no hydrogen 2.975 N/A ILE 54.A N GLY 84.A O no hydrogen 2.969 N/A ILE 55.A N VAL 119.A O no hydrogen 2.678 N/A ILE 56.A N TYR 86.A O no hydrogen 2.782 N/A PHE 58.A N ILE 88.A O no hydrogen 3.168 N/A ARG 59.A NH1 GLY 92.A O no hydrogen 3.028 N/A ARG 59.A NH1 SER 94.A O no hydrogen 2.981 N/A ARG 59.A NH2 SER 94.A O no hydrogen 2.771 N/A ARG 61.A NE ASP 220.A OD1 no hydrogen 3.447 N/A ARG 61.A NE ASP 220.A OD2 no hydrogen 2.896 N/A ARG 61.A NH1 ASP 220.A OD2 no hydrogen 2.591 N/A ARG 61.A NH2 ASP 124.A OD2 no hydrogen 3.162 N/A GLN 62.A NE2 TYR 261.A OH no hydrogen 3.466 N/A LEU 65.A N ARG 61.A O no hydrogen 2.951 N/A LYS 66.A N GLN 62.A O no hydrogen 2.980 N/A LYS 66.A NZ VAL 23.A O no hydrogen 3.460 N/A LYS 66.A NZ GLU 63.A OE1 no hydrogen 2.937 N/A TYR 67.A N GLU 63.A O no hydrogen 3.474 N/A TYR 67.A OH ILE 21.A O no hydrogen 2.550 N/A TRP 68.A N HIS 64.A O no hydrogen 2.962 N/A LEU 69.A N LEU 65.A O no hydrogen 2.851 N/A TYR 70.A N LYS 66.A O no hydrogen 3.099 N/A TYR 71.A N TYR 67.A O no hydrogen 3.099 N/A TYR 71.A OH GLU 18.A O no hydrogen 2.455 N/A LEU 72.A N TRP 68.A O no hydrogen 2.800 N/A HIS 73.A N LEU 69.A O no hydrogen 3.315 N/A HIS 73.A ND1 TYR 83.A OH no hydrogen 3.008 N/A HIS 73.A NE2 LEU 260.A O no hydrogen 2.887 N/A ILE 75.A N TYR 71.A O no hydrogen 3.486 N/A LEU 76.A N LEU 72.A O no hydrogen 2.692 N/A GLN 77.A N HIS 73.A O no hydrogen 3.265 N/A GLN 77.A NE2 ASN 32.A OD1 no hydrogen 2.620 N/A GLN 77.A NE2 HIS 73.A O no hydrogen 2.571 N/A ARG 78.A N PRO 74.A O no hydrogen 3.077 N/A ARG 78.A NE ASP 130.A OD2 no hydrogen 3.132 N/A ARG 78.A NH2 ASP 130.A OD2 no hydrogen 3.324 N/A GLN 79.A N ILE 75.A O no hydrogen 3.118 N/A GLN 79.A NE2 ASP 130.A O no hydrogen 2.916 N/A GLN 79.A NE2 ASN 132.A O no hydrogen 3.209 N/A GLN 80.A N GLN 77.A O no hydrogen 3.032 N/A ASP 82.A N HIS 50.A O no hydrogen 3.315 N/A TYR 83.A N TYR 41.A O no hydrogen 3.004 N/A TYR 83.A OH HIS 73.A ND1 no hydrogen 3.008 N/A GLY 84.A N VAL 52.A O no hydrogen 3.094 N/A TYR 86.A N ILE 54.A O no hydrogen 2.871 N/A TYR 86.A OH ASP 112.A OD2 no hydrogen 3.183 N/A TYR 86.A OH TYR 115.A OH no hydrogen 2.828 N/A VAL 87.A N THR 262.A O no hydrogen 2.871 N/A ILE 88.A N ILE 56.A O no hydrogen 2.887 N/A ASN 89.A N ILE 264.A O no hydrogen 2.806 N/A ASN 89.A ND2 THR 265.A OG1 no hydrogen 3.103 N/A GLN 90.A N PHE 58.A O no hydrogen 3.045 N/A GLN 90.A NE2 MET 95.A O no hydrogen 3.105 N/A ALA 91.A N VAL 266.A O no hydrogen 2.904 N/A PHE 96.A N LYS 222.A O no hydrogen 2.778 N/A ASN 97.A N GLN 90.A OE1 no hydrogen 3.108 N/A ASN 97.A ND2 ASN 179.A O no hydrogen 2.837 N/A ARG 98.A NE ASP 122.A OD1 no hydrogen 2.616 N/A ARG 98.A NH1 GLU 187.A OE1 no hydrogen 2.982 N/A ARG 98.A NH2 ASP 122.A OD1 no hydrogen 3.100 N/A ARG 98.A NH2 GLY 162.A O no hydrogen 3.522 N/A LYS 100.A N ASN 97.A OD1 no hydrogen 2.972 N/A LYS 100.A NZ THR 249.A O no hydrogen 3.398 N/A LYS 100.A NZ ILE 268.A O no hydrogen 2.585 N/A LEU 101.A N ASN 97.A O no hydrogen 3.203 N/A LEU 102.A N ARG 98.A O no hydrogen 3.201 N/A ASN 103.A N ALA 99.A O no hydrogen 3.141 N/A ASN 103.A ND2 PHE 177.A O no hydrogen 2.550 N/A ASN 103.A ND2 ASN 179.A OD1 no hydrogen 2.683 N/A VAL 104.A N LYS 100.A O no hydrogen 3.075 N/A GLY 105.A N LEU 101.A O no hydrogen 3.043 N/A PHE 106.A N LEU 102.A O no hydrogen 3.057 N/A LYS 107.A N ASN 103.A O no hydrogen 3.195 N/A LYS 107.A NZ LEU 245.A O no hydrogen 2.932 N/A GLU 108.A N VAL 104.A O no hydrogen 2.854 N/A ALA 109.A N GLY 105.A O no hydrogen 2.932 N/A LEU 110.A N PHE 106.A O no hydrogen 3.243 N/A LYS 111.A N LYS 107.A O no hydrogen 3.276 N/A LYS 111.A N GLU 108.A O no hydrogen 3.060 N/A LYS 111.A NZ GLU 108.A OE1 no hydrogen 2.780 N/A ASP 112.A N ALA 109.A O no hydrogen 3.009 N/A TYR 113.A N ALA 109.A O no hydrogen 3.212 N/A TYR 113.A OH ASP 82.A OD2 no hydrogen 2.867 N/A TYR 115.A N TYR 113.A O no hydrogen 2.764 N/A TYR 115.A OH TYR 86.A OH no hydrogen 2.828 N/A ASN 116.A N LYS 51.A O no hydrogen 3.046 N/A ASN 116.A ND2 PRO 49.A O no hydrogen 3.059 N/A CYS 117.A N LYS 51.A O no hydrogen 3.143 N/A PHE 118.A N LEU 166.A O no hydrogen 2.912 N/A VAL 119.A N ALA 53.A O no hydrogen 2.989 N/A PHE 120.A N SER 164.A O no hydrogen 2.662 N/A SER 121.A N ILE 55.A O no hydrogen 2.933 N/A SER 121.A OG ASP 122.A O no hydrogen 2.961 N/A ASP 122.A N GLY 162.A O no hydrogen 2.992 N/A LEU 125.A N ASP 122.A O no hydrogen 3.498 N/A ILE 126.A N ARG 213.A O no hydrogen 2.987 N/A MET 128.A N LYS 211.A O no hydrogen 2.739 N/A ASP 130.A N GLY 13.A O no hydrogen 3.265 N/A HIS 131.A N ASN 129.A OD1 no hydrogen 2.947 N/A ASN 132.A N ASN 129.A O no hydrogen 3.069 N/A ASN 132.A ND2 ILE 143.A O no hydrogen 3.055 N/A THR 133.A OG1 HIS 131.A O no hydrogen 3.223 N/A TYR 134.A N GLN 79.A OE1 no hydrogen 2.926 N/A ARG 135.A N THR 133.A O no hydrogen 2.900 N/A ARG 141.A N ALA 165.A O no hydrogen 2.919 N/A ARG 141.A NH2 SER 203.A OG no hydrogen 2.837 N/A HIS 142.A N SER 203.A O no hydrogen 2.848 N/A HIS 142.A NE2 GLY 161.A O no hydrogen 2.848 N/A ILE 143.A N VAL 163.A O no hydrogen 2.768 N/A SER 144.A N VAL 163.A O no hydrogen 3.221 N/A VAL 145.A N ILE 143.A O no hydrogen 2.928 N/A ALA 146.A N GLY 210.A O no hydrogen 3.023 N/A ASP 148.A N THR 212.A O no hydrogen 3.068 N/A PHE 150.A N MET 147.A O no hydrogen 3.047 N/A GLY 151.A N ASP 148.A O no hydrogen 3.047 N/A PHE 152.A N MET 147.A O no hydrogen 2.752 N/A SER 153.A OG PHE 150.A O no hydrogen 3.091 N/A TYR 156.A OH ASP 189.A OD1 no hydrogen 2.800 N/A TYR 159.A N TYR 156.A O no hydrogen 2.946 N/A VAL 163.A N SER 144.A OG no hydrogen 2.690 N/A SER 164.A N PHE 120.A O no hydrogen 2.949 N/A ALA 165.A N ARG 141.A O no hydrogen 2.782 N/A LEU 166.A N PHE 118.A O no hydrogen 2.914 N/A SER 167.A N GLN 170.A OE1 no hydrogen 2.856 N/A LYS 168.A N ASN 116.A O no hydrogen 2.956 N/A GLN 170.A N SER 167.A OG no hydrogen 3.120 N/A GLN 170.A NE2 PHE 137.A O no hydrogen 2.965 N/A PHE 171.A N SER 167.A O no hydrogen 2.902 N/A LEU 172.A N LYS 168.A O no hydrogen 2.968 N/A SER 173.A N GLN 169.A O no hydrogen 2.909 N/A ILE 174.A N PHE 171.A O no hydrogen 3.362 N/A ASN 175.A N LEU 172.A O no hydrogen 3.027 N/A ASN 175.A ND2 MET 240.A O no hydrogen 2.994 N/A ASN 175.A ND2 ASN 246.A OD1 no hydrogen 2.917 N/A GLY 176.A N PHE 171.A O no hydrogen 2.903 N/A PHE 177.A N ASN 103.A OD1 no hydrogen 2.950 N/A ASN 179.A N ASP 243.A OD1 no hydrogen 2.929 N/A ASN 179.A N ASP 243.A OD2 no hydrogen 2.928 N/A ASN 179.A ND2 GLY 244.A O no hydrogen 2.882 N/A ASN 180.A N ASP 243.A OD2 no hydrogen 3.043 N/A TYR 181.A OH ASP 190.A OD2 no hydrogen 2.593 N/A GLY 183.A N PHE 96.A O no hydrogen 2.807 N/A TRP 184.A N GLU 224.A O no hydrogen 3.040 N/A GLU 187.A N GLU 187.A OE2 no hydrogen 2.887 N/A ASP 189.A N ASP 188.A OD1 no hydrogen 3.085 N/A ASP 190.A N GLY 186.A O no hydrogen 2.930 N/A ILE 191.A N GLU 187.A O no hydrogen 3.110 N/A TYR 192.A N ASP 188.A O no hydrogen 3.016 N/A ASN 193.A N ASP 189.A O no hydrogen 3.013 N/A ARG 194.A N ASP 190.A O no hydrogen 3.091 N/A ARG 194.A NE ASP 190.A OD1 no hydrogen 3.008 N/A ARG 194.A NH1 ASP 243.A O no hydrogen 2.636 N/A ARG 194.A NH2 ILE 174.A O no hydrogen 3.240 N/A ARG 194.A NH2 GLY 176.A O no hydrogen 2.926 N/A ARG 194.A NH2 ASP 243.A O no hydrogen 3.121 N/A LEU 195.A N ILE 191.A O no hydrogen 3.139 N/A ALA 196.A N TYR 192.A O no hydrogen 3.105 N/A PHE 197.A N ASN 193.A O no hydrogen 2.871 N/A ARG 198.A N ARG 194.A O no hydrogen 3.037 N/A ARG 198.A NE SER 173.A OG no hydrogen 2.869 N/A ARG 198.A NH1 SER 173.A OG no hydrogen 3.158 N/A GLY 199.A N ALA 196.A O no hydrogen 2.943 N/A MET 200.A N LEU 195.A O no hydrogen 2.799 N/A SER 201.A N GLN 139.A OE1 no hydrogen 3.114 N/A SER 203.A N PRO 140.A O no hydrogen 2.681 N/A ARG 204.A NE HIS 142.A ND1 no hydrogen 2.963 N/A ARG 204.A NH1 VAL 157.A O no hydrogen 3.272 N/A ARG 204.A NH2 VAL 157.A O no hydrogen 3.030 N/A ARG 204.A NH2 TYR 159.A O no hydrogen 2.784 N/A VAL 208.A N ASN 206.A OD1 no hydrogen 2.973 N/A ILE 209.A N ASN 206.A OD1 no hydrogen 3.023 N/A GLY 210.A N ASN 206.A O no hydrogen 3.101 N/A THR 212.A N ALA 146.A O no hydrogen 3.200 N/A ARG 213.A N ILE 126.A O no hydrogen 2.725 N/A ARG 213.A NE ILE 17.A O no hydrogen 3.016 N/A ARG 213.A NH2 ASP 148.A OD2 no hydrogen 3.276 N/A HIS 214.A N ASP 148.A OD1 no hydrogen 3.111 N/A HIS 214.A N ASP 148.A OD2 no hydrogen 3.451 N/A ILE 215.A N ASP 124.A O no hydrogen 3.042 N/A HIS 217.A ND1 SER 218.A O no hydrogen 2.923 N/A ARG 219.A NH1 ASN 223.A O no hydrogen 2.599 N/A LYS 222.A N GLU 224.A OE1 no hydrogen 2.730 N/A ASN 226.A N TRP 184.A O no hydrogen 2.981 N/A GLN 228.A N ASN 226.A OD1 no hydrogen 3.069 N/A ARG 229.A N ASN 226.A O no hydrogen 3.231 N/A ARG 229.A NH1 ASN 226.A O no hydrogen 2.492 N/A ARG 232.A N GLN 228.A O no hydrogen 3.205 N/A ARG 232.A NE GLN 228.A OE1 no hydrogen 3.314 N/A ARG 232.A NH1 GLN 228.A OE1 no hydrogen 2.624 N/A ILE 233.A N ARG 229.A O no hydrogen 3.152 N/A ALA 234.A N PHE 230.A O no hydrogen 3.339 N/A HIS 235.A N ARG 232.A O no hydrogen 3.136 N/A HIS 235.A ND1 ASP 231.A O no hydrogen 2.904 N/A THR 236.A N ILE 233.A O no hydrogen 3.451 N/A THR 236.A OG1 ASP 190.A OD2 no hydrogen 2.574 N/A THR 236.A OG1 ARG 232.A O no hydrogen 3.419 N/A THR 236.A OG1 ILE 233.A O no hydrogen 3.051 N/A GLU 238.A N HIS 235.A O no hydrogen 3.220 N/A THR 239.A N HIS 235.A O no hydrogen 3.130 N/A THR 239.A N THR 236.A O no hydrogen 3.151 N/A THR 239.A OG1 HIS 235.A O no hydrogen 3.035 N/A MET 240.A N THR 236.A O no hydrogen 2.894 N/A SER 242.A N THR 239.A O no hydrogen 2.989 N/A SER 242.A OG THR 239.A O no hydrogen 3.087 N/A ASP 243.A N THR 239.A O no hydrogen 2.674 N/A GLY 244.A N SER 247.A OG no hydrogen 2.971 N/A LEU 245.A N ASN 175.A O no hydrogen 2.861 N/A ASN 246.A N ASN 175.A OD1 no hydrogen 3.005 N/A ASN 246.A ND2 LEU 241.A O no hydrogen 2.859 N/A SER 247.A N GLY 244.A O no hydrogen 3.010 N/A SER 247.A OG SER 242.A O no hydrogen 3.494 N/A SER 247.A OG GLY 244.A O no hydrogen 3.176 N/A LEU 248.A N LEU 245.A O no hydrogen 3.406 N/A TYR 250.A OH GLU 108.A OE1 no hydrogen 2.588 N/A MET 251.A N ASP 267.A O no hydrogen 2.977 N/A LEU 253.A N THR 265.A O no hydrogen 2.711 N/A GLU 254.A N THR 265.A O no hydrogen 3.128 N/A GLN 256.A N LYS 263.A O no hydrogen 2.840 N/A ARG 257.A NE THR 262.A OG1 no hydrogen 2.551 N/A THR 262.A N ILE 85.A O no hydrogen 2.969 N/A THR 262.A OG1 GLY 38.A O no hydrogen 3.409 N/A LYS 263.A N GLN 256.A O no hydrogen 2.868 N/A ILE 264.A N VAL 87.A O no hydrogen 2.968 N/A THR 265.A N GLU 254.A O no hydrogen 2.791 N/A VAL 266.A N ASN 89.A O no hydrogen 2.789 N/A ASP 267.A N MET 251.A O no hydrogen 2.757 N/A GLY 269.A N ASP 267.A OD1 no hydrogen 3.062 N/A THR 270.A OG1 PRO 271.A O no hydrogen 3.547 N/A