Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4km3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 207.A O no hydrogen 2.979 N/A THR 3.A OG1 LEU 4.A O no hydrogen 2.945 N/A LYS 5.A NZ GLU 208.A OE1 no hydrogen 2.938 N/A SER 6.A N GLU 9.A OE2 no hydrogen 2.811 N/A GLU 9.A N SER 6.A OG no hydrogen 2.856 N/A ILE 10.A N SER 6.A O no hydrogen 3.253 N/A GLU 11.A N ALA 7.A O no hydrogen 3.411 N/A ALA 12.A N ARG 8.A O no hydrogen 2.984 N/A MET 13.A N ILE 10.A O no hydrogen 3.002 N/A ASP 14.A N ILE 10.A O no hydrogen 3.368 N/A LYS 15.A N GLU 11.A O no hydrogen 2.974 N/A ALA 16.A N ALA 12.A O no hydrogen 2.687 N/A GLY 17.A N MET 13.A O no hydrogen 2.466 N/A GLY 17.A N ASP 14.A O no hydrogen 2.944 N/A ASP 18.A N ASP 14.A O no hydrogen 2.482 N/A ALA 21.A N GLY 17.A O no hydrogen 3.047 N/A SER 22.A N ASP 18.A O no hydrogen 3.193 N/A ILE 23.A N PHE 19.A O no hydrogen 3.044 N/A HIS 24.A N LEU 20.A O no hydrogen 3.039 N/A HIS 24.A ND1 TYR 141.A OH no hydrogen 2.919 N/A HIS 24.A NE2 SER 137.A O no hydrogen 2.817 N/A ILE 25.A N ALA 21.A O no hydrogen 2.877 N/A GLY 26.A N SER 22.A O no hydrogen 2.849 N/A LEU 27.A N ILE 23.A O no hydrogen 2.847 N/A ARG 28.A N ILE 25.A O no hydrogen 2.754 N/A ARG 28.A NH2 GLN 280.A O no hydrogen 3.347 N/A ILE 31.A N LEU 27.A O no hydrogen 2.896 N/A LYS 32.A N LEU 30.A O no hydrogen 2.757 N/A LYS 32.A NZ ASP 29.A O no hydrogen 2.889 N/A GLY 34.A N LEU 89.A O no hydrogen 2.912 N/A VAL 35.A N LYS 32.A O no hydrogen 3.428 N/A MET 37.A N TYR 87.A O no hydrogen 2.503 N/A TRP 38.A N ASP 36.A OD1 no hydrogen 2.641 N/A GLU 39.A N ASP 36.A O no hydrogen 2.838 N/A VAL 40.A N MET 37.A O no hydrogen 2.836 N/A GLU 42.A N TRP 38.A O no hydrogen 3.225 N/A TYR 43.A N GLU 39.A O no hydrogen 2.722 N/A VAL 44.A N VAL 40.A O no hydrogen 3.064 N/A ARG 45.A N GLU 41.A O no hydrogen 2.628 N/A ARG 45.A NH2 GLU 121.A OE2 no hydrogen 2.629 N/A ARG 46.A N GLU 42.A O no hydrogen 2.731 N/A ARG 47.A N TYR 43.A O no hydrogen 2.933 N/A ARG 47.A NH1 SER 22.A O no hydrogen 3.076 N/A ARG 47.A NH1 SER 22.A OG no hydrogen 3.102 N/A ARG 47.A NH1 TYR 43.A OH no hydrogen 3.065 N/A ARG 47.A NH2 SER 22.A OG no hydrogen 2.463 N/A CYS 48.A N VAL 44.A O no hydrogen 2.968 N/A CYS 48.A N ARG 45.A O no hydrogen 2.969 N/A CYS 48.A SG VAL 44.A O no hydrogen 3.439 N/A CYS 48.A SG PHE 53.A O no hydrogen 3.166 N/A LYS 49.A N ARG 45.A O no hydrogen 3.266 N/A LYS 49.A N ARG 46.A O no hydrogen 3.049 N/A GLU 50.A N ARG 46.A O no hydrogen 3.283 N/A ASN 52.A ND2 ILE 105.A O no hydrogen 3.219 N/A PHE 53.A N CYS 48.A O no hydrogen 3.028 N/A LEU 54.A N GLY 102.A O no hydrogen 3.328 N/A LEU 56.A N VAL 100.A O no hydrogen 2.839 N/A GLN 57.A NE2 TYR 69.A O no hydrogen 3.508 N/A ILE 58.A N PRO 55.A O no hydrogen 3.362 N/A GLY 59.A N TYR 67.A O no hydrogen 2.729 N/A GLY 62.A N ASP 66.A OD1 no hydrogen 3.333 N/A TYR 67.A N VAL 60.A O no hydrogen 3.003 N/A TYR 67.A OH THR 71.A O no hydrogen 2.346 N/A ALA 70.A N GLU 41.A OE2 no hydrogen 2.516 N/A THR 71.A N GLU 41.A OE1 no hydrogen 2.953 N/A THR 71.A OG1 GLU 41.A OE1 no hydrogen 3.116 N/A CYS 72.A N ASP 98.A O no hydrogen 3.011 N/A CYS 72.A SG TYR 67.A OH no hydrogen 3.383 N/A CYS 73.A N ALA 82.A O no hydrogen 2.673 N/A CYS 73.A SG THR 71.A OG1 no hydrogen 3.431 N/A SER 74.A N LYS 96.A O no hydrogen 2.923 N/A SER 74.A OG LYS 96.A O no hydrogen 3.007 N/A ASN 76.A N LEU 94.A O no hydrogen 2.593 N/A ASN 76.A ND2 ASP 93.A OD1 no hydrogen 3.057 N/A GLU 78.A N LEU 75.A O no hydrogen 2.936 N/A VAL 79.A N HIS 252.A O no hydrogen 2.792 N/A ALA 80.A N HIS 252.A O no hydrogen 3.402 N/A ARG 85.A NH1 PHE 83.A O no hydrogen 2.580 N/A ARG 85.A NH2 GLU 78.A OE1 no hydrogen 3.229 N/A ARG 85.A NH2 GLU 78.A OE2 no hydrogen 2.880 N/A TYR 87.A OH ASP 93.A OD1 no hydrogen 3.124 N/A TYR 87.A OH ASP 93.A OD2 no hydrogen 2.357 N/A LEU 89.A N VAL 35.A O no hydrogen 2.989 N/A LYS 90.A N ASP 93.A OD2 no hydrogen 2.706 N/A GLY 92.A N VAL 143.A O no hydrogen 2.596 N/A ASP 93.A N LYS 90.A O no hydrogen 3.166 N/A LEU 94.A N ASN 76.A OD1 no hydrogen 2.599 N/A LEU 95.A N TYR 141.A O no hydrogen 2.831 N/A LYS 96.A N SER 74.A O no hydrogen 2.648 N/A LYS 96.A NZ ASN 76.A O no hydrogen 3.094 N/A LYS 96.A NZ GLU 78.A O no hydrogen 2.394 N/A LYS 96.A NZ SER 260.A O no hydrogen 3.031 N/A VAL 97.A N TRP 139.A O no hydrogen 2.800 N/A ASP 98.A N CYS 72.A O no hydrogen 3.035 N/A GLY 102.A N LEU 54.A O no hydrogen 3.137 N/A GLY 103.A N GLY 133.A O no hydrogen 2.834 N/A ILE 105.A N ASN 52.A O no hydrogen 3.178 N/A SER 113.A OG LYS 114.A O no hydrogen 3.196 N/A LYS 125.A NZ GLY 59.A O no hydrogen 3.192 N/A THR 127.A OG1 ILE 58.A O no hydrogen 3.216 N/A THR 127.A OG1 LYS 124.A O no hydrogen 3.323 N/A THR 127.A OG1 GLN 128.A OE1 no hydrogen 2.560 N/A SER 129.A OG TYR 126.A O no hydrogen 2.938 N/A SER 131.A OG SER 129.A O no hydrogen 2.413 N/A ALA 135.A N LEU 101.A O no hydrogen 3.324 N/A SER 137.A N MET 99.A O no hydrogen 3.350 N/A SER 137.A OG CYS 138.A O no hydrogen 3.154 N/A SER 137.A OG GLU 264.A O no hydrogen 2.701 N/A CYS 138.A N GLU 264.A OE2 no hydrogen 3.271 N/A CYS 138.A SG GLN 262.A O no hydrogen 3.679 N/A TRP 139.A N VAL 97.A O no hydrogen 2.922 N/A TYR 141.A N LEU 95.A O no hydrogen 2.831 N/A TYR 141.A OH HIS 24.A ND1 no hydrogen 2.919 N/A TYR 141.A OH HIS 24.A O no hydrogen 2.741 N/A VAL 143.A N ASP 93.A O no hydrogen 2.900 N/A THR 145.A N ASP 91.A OD2 no hydrogen 2.954 N/A VAL 150.A N SER 147.A OG no hydrogen 3.186 N/A LYS 151.A N SER 147.A O no hydrogen 2.927 N/A ASN 152.A N GLU 148.A O no hydrogen 3.134 N/A LEU 153.A N GLU 149.A O no hydrogen 3.193 N/A MET 154.A N VAL 150.A O no hydrogen 2.895 N/A ASP 155.A N LYS 151.A O no hydrogen 3.003 N/A ILE 156.A N ASN 152.A O no hydrogen 2.708 N/A THR 157.A N LEU 153.A O no hydrogen 3.209 N/A THR 157.A OG1 LEU 153.A O no hydrogen 2.861 N/A LYS 158.A N MET 154.A O no hydrogen 3.138 N/A LYS 158.A NZ TYR 286.A O no hydrogen 3.136 N/A GLU 159.A N ASP 155.A O no hydrogen 3.100 N/A ALA 160.A N ILE 156.A O no hydrogen 2.917 N/A MET 161.A N THR 157.A O no hydrogen 3.021 N/A TYR 162.A N LYS 158.A O no hydrogen 3.278 N/A TYR 162.A OH GLU 283.A OE2 no hydrogen 2.526 N/A LYS 163.A N GLU 159.A O no hydrogen 2.689 N/A GLY 164.A N ALA 160.A O no hydrogen 2.827 N/A ILE 165.A N MET 161.A O no hydrogen 2.908 N/A GLU 166.A N TYR 162.A O no hydrogen 3.073 N/A GLN 167.A N GLY 164.A O no hydrogen 2.892 N/A GLN 167.A NE2 LYS 163.A O no hydrogen 3.600 N/A ALA 168.A N ILE 165.A O no hydrogen 2.645 N/A VAL 169.A N GLN 167.A O no hydrogen 2.532 N/A GLY 171.A N LEU 223.A O no hydrogen 3.287 N/A ASN 172.A N VAL 169.A O no hydrogen 2.988 N/A ASN 172.A ND2 GLN 167.A OE1 no hydrogen 3.679 N/A ARG 173.A N ASP 176.A OD1 no hydrogen 2.541 N/A ARG 173.A NE GLY 220.A O no hydrogen 2.728 N/A ARG 173.A NH2 GLY 220.A O no hydrogen 3.363 N/A ASP 176.A N ARG 173.A O no hydrogen 3.133 N/A GLY 178.A N ILE 174.A O no hydrogen 3.194 N/A ALA 179.A N GLY 175.A O no hydrogen 2.746 N/A ALA 180.A N ASP 176.A O no hydrogen 3.193 N/A ILE 181.A N ILE 177.A O no hydrogen 2.856 N/A GLN 182.A N GLY 178.A O no hydrogen 2.781 N/A GLN 182.A NE2 GLU 186.A OE2 no hydrogen 2.877 N/A GLU 183.A N ALA 179.A O no hydrogen 2.701 N/A TYR 184.A N ALA 180.A O no hydrogen 3.102 N/A ALA 185.A N ILE 181.A O no hydrogen 3.506 N/A GLU 186.A N GLN 182.A O no hydrogen 3.106 N/A SER 187.A N GLU 183.A O no hydrogen 2.854 N/A SER 187.A OG GLU 183.A O no hydrogen 2.892 N/A ARG 188.A N ALA 185.A O no hydrogen 3.081 N/A ARG 188.A NE TYR 184.A O no hydrogen 2.415 N/A GLY 189.A N GLU 186.A O no hydrogen 2.946 N/A TYR 190.A N ALA 185.A O no hydrogen 3.215 N/A GLY 191.A N ASN 236.A O no hydrogen 2.759 N/A VAL 193.A N MET 234.A O no hydrogen 3.323 N/A VAL 201.A N VAL 197.A O no hydrogen 3.079 N/A GLU 208.A N HIS 206.A O no hydrogen 2.950 N/A TYR 214.A OH ARG 194.A O no hydrogen 3.114 N/A GLY 220.A N GLY 218.A O no hydrogen 2.555 N/A LEU 223.A N ASN 172.A O no hydrogen 3.065 N/A GLY 226.A N ILE 269.A O no hydrogen 2.955 N/A MET 227.A N ARG 224.A O no hydrogen 3.448 N/A LEU 229.A N PHE 267.A O no hydrogen 3.047 N/A THR 230.A OG1 PRO 209.A O no hydrogen 3.561 N/A ILE 231.A N HIS 265.A O no hydrogen 2.882 N/A ILE 235.A N CYS 261.A O no hydrogen 2.813 N/A ASN 236.A N GLY 191.A O no hydrogen 2.783 N/A ASN 236.A ND2 ASP 239.A O no hydrogen 2.676 N/A THR 237.A N LEU 259.A O no hydrogen 2.931 N/A THR 237.A OG1 LEU 259.A O no hydrogen 3.260 N/A ASP 239.A N ASP 256.A OD2 no hydrogen 2.865 N/A ASP 243.A N LYS 253.A O no hydrogen 2.517 N/A ASP 245.A N ALA 251.A O no hydrogen 2.880 N/A LYS 247.A NZ LYS 247.A O no hydrogen 3.349 N/A THR 248.A N ASP 245.A OD1 no hydrogen 2.661 N/A HIS 252.A N ALA 80.A O no hydrogen 2.855 N/A THR 254.A N ASP 77.A O no hydrogen 2.935 N/A THR 254.A OG1 ASP 77.A O no hydrogen 3.301 N/A THR 254.A OG1 GLY 258.A O no hydrogen 2.842 N/A ILE 255.A N GLU 241.A O no hydrogen 2.855 N/A GLY 258.A N ASP 256.A OD1 no hydrogen 2.706 N/A LEU 259.A N THR 237.A OG1 no hydrogen 2.839 N/A SER 260.A N ASN 76.A O no hydrogen 2.769 N/A SER 260.A OG ILE 235.A O no hydrogen 2.717 N/A SER 260.A OG ASN 236.A OD1 no hydrogen 2.733 N/A CYS 261.A N ILE 235.A O no hydrogen 2.833 N/A HIS 265.A N ILE 231.A O no hydrogen 3.026 N/A HIS 265.A ND1 THR 278.A OG1 no hydrogen 2.551 N/A GLN 266.A N THR 278.A OG1 no hydrogen 3.168 N/A PHE 267.A N LEU 229.A O no hydrogen 2.967 N/A VAL 268.A N VAL 275.A O no hydrogen 2.965 N/A ILE 269.A N MET 227.A O no hydrogen 2.789 N/A VAL 275.A N VAL 268.A O no hydrogen 3.119 N/A LEU 277.A N GLN 266.A O no hydrogen 2.839 N/A THR 278.A OG1 HIS 265.A ND1 no hydrogen 2.551 N/A SER 279.A OG GLY 281.A O no hydrogen 2.896 N/A SER 279.A OG GLU 283.A OE1 no hydrogen 2.610 N/A SER 279.A OG TYR 286.A OH no hydrogen 3.247 N/A GLN 280.A N TYR 286.A OH no hydrogen 3.491 N/A GLY 281.A N SER 279.A OG no hydrogen 3.088 N/A THR 285.A N GLU 282.A O no hydrogen 3.297 N/A TYR 286.A OH HIS 265.A NE2 no hydrogen 3.390 N/A TYR 286.A OH SER 279.A OG no hydrogen 3.247 N/A TYR 286.A OH GLU 283.A OE1 no hydrogen 2.903 N/A